smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N[C@@H](CC(=O)NCc1ccccc1C[NH+]1CCCCCC1)c1ccccc1 ZINC000237891536 936328689 /nfs/dbraw/zinc/32/86/89/936328689.db2.gz GIKPFFKGNSUJGQ-QFIPXVFZSA-N 1 3 365.521 3.769 20 0 FHADHO CC(C)C[N@@H+]1CC[C@@H](CNCCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000583138578 937159576 /nfs/dbraw/zinc/15/95/76/937159576.db2.gz APQIFQGOQPJDFQ-HNNXBMFYSA-N 1 3 371.447 3.602 20 0 FHADHO CC(C)C[N@H+]1CC[C@@H](CNCCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000583138578 937159583 /nfs/dbraw/zinc/15/95/83/937159583.db2.gz APQIFQGOQPJDFQ-HNNXBMFYSA-N 1 3 371.447 3.602 20 0 FHADHO CN(c1ccccc1CN1CCC(C(F)(F)F)CC1)C1CC[NH+](C)CC1 ZINC000179964396 929266278 /nfs/dbraw/zinc/26/62/78/929266278.db2.gz PJPIGTYJSDAPET-UHFFFAOYSA-N 1 3 369.475 3.991 20 0 FHADHO CC[N@H+](CCC1CCN(Cc2cnc(N(C)C)s2)CC1)CC(C)C ZINC000583290310 937322738 /nfs/dbraw/zinc/32/27/38/937322738.db2.gz RCPFWVQTTPSONF-UHFFFAOYSA-N 1 3 352.592 3.789 20 0 FHADHO CC[N@@H+](CCC1CCN(Cc2cnc(N(C)C)s2)CC1)CC(C)C ZINC000583290310 937322741 /nfs/dbraw/zinc/32/27/41/937322741.db2.gz RCPFWVQTTPSONF-UHFFFAOYSA-N 1 3 352.592 3.789 20 0 FHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(Cl)c(C)c3)CC2)CC1 ZINC000655340123 930486710 /nfs/dbraw/zinc/48/67/10/930486710.db2.gz WUVYRFPRBKASSL-UHFFFAOYSA-N 1 3 363.933 3.783 20 0 FHADHO Cc1ccc(C)c2c1CCC[C@H]2NCc1ccnc(OCC[NH+](C)C)c1 ZINC000471587907 930783680 /nfs/dbraw/zinc/78/36/80/930783680.db2.gz WKIMVPSDCKSZLN-HXUWFJFHSA-N 1 3 353.510 3.806 20 0 FHADHO C[C@H]([NH3+])[C@H]1CCCN(CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000430569253 931905662 /nfs/dbraw/zinc/90/56/62/931905662.db2.gz HFTASEGPTCIBKM-ROUUACIJSA-N 1 3 367.493 3.867 20 0 FHADHO CC[NH2+]CC1CCN([C@@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)CC1 ZINC000430578435 931936839 /nfs/dbraw/zinc/93/68/39/931936839.db2.gz PFYRLTRHCWPULL-ROUUACIJSA-N 1 3 367.537 3.727 20 0 FHADHO Cc1nn(-c2cccc(F)c2)cc1CN1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656786441 932422244 /nfs/dbraw/zinc/42/22/44/932422244.db2.gz MOJCFXPBKPRHTD-GOSISDBHSA-N 1 3 356.489 3.531 20 0 FHADHO NC[C@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1CCCOCC(F)(F)F ZINC000471829933 933072378 /nfs/dbraw/zinc/07/23/78/933072378.db2.gz GVBXGGMBGORFHQ-ROUUACIJSA-N 1 3 358.448 3.628 20 0 FHADHO NC[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CCCOCC(F)(F)F ZINC000471829933 933072383 /nfs/dbraw/zinc/07/23/83/933072383.db2.gz GVBXGGMBGORFHQ-ROUUACIJSA-N 1 3 358.448 3.628 20 0 FHADHO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](CC(C)(C)CN(C)Cc1ccccc1)C[C@H](C)O2 ZINC000430869084 933343214 /nfs/dbraw/zinc/34/32/14/933343214.db2.gz WYPYVIHTQYDEDE-QTEQDKRBSA-N 1 3 374.569 3.803 20 0 FHADHO C[C@@H]1C[C@@]2(CCO1)C[N@H+](CC(C)(C)CN(C)Cc1ccccc1)C[C@H](C)O2 ZINC000430869084 933343227 /nfs/dbraw/zinc/34/32/27/933343227.db2.gz WYPYVIHTQYDEDE-QTEQDKRBSA-N 1 3 374.569 3.803 20 0 FHADHO Clc1ccc(OCc2cccnc2)c(CN2CCC3(CC[NH2+]C3)CC2)c1 ZINC000430914525 933410322 /nfs/dbraw/zinc/41/03/22/933410322.db2.gz LIIGNGBSMRKFAY-UHFFFAOYSA-N 1 3 371.912 3.890 20 0 FHADHO Brc1ccc(CN2CCC3(CC[NH2+]C3)CC2)c2ncccc12 ZINC000430955034 933484336 /nfs/dbraw/zinc/48/43/36/933484336.db2.gz LCULADKSVVDKJI-UHFFFAOYSA-N 1 3 360.299 3.573 20 0 FHADHO CCCN1CCC([N@H+](C)Cc2ccc(OC(F)F)c(OCC)c2)CC1 ZINC000092165900 933970406 /nfs/dbraw/zinc/97/04/06/933970406.db2.gz DNXUBRBGZQWLJT-UHFFFAOYSA-N 1 3 356.457 3.993 20 0 FHADHO CCCN1CCC([N@@H+](C)Cc2ccc(OC(F)F)c(OCC)c2)CC1 ZINC000092165900 933970410 /nfs/dbraw/zinc/97/04/10/933970410.db2.gz DNXUBRBGZQWLJT-UHFFFAOYSA-N 1 3 356.457 3.993 20 0 FHADHO COc1ccc(CN2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cn1 ZINC000535682234 934274253 /nfs/dbraw/zinc/27/42/53/934274253.db2.gz UPAFXSQNYPNCAB-UHFFFAOYSA-N 1 3 351.494 3.578 20 0 FHADHO COc1ccc(CN2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cn1 ZINC000535682234 934274260 /nfs/dbraw/zinc/27/42/60/934274260.db2.gz UPAFXSQNYPNCAB-UHFFFAOYSA-N 1 3 351.494 3.578 20 0 FHADHO c1nc(-c2ccccn2)sc1C[N@@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000535807737 934413787 /nfs/dbraw/zinc/41/37/87/934413787.db2.gz BEAMWHXXHFCXGS-KXBFYZLASA-N 1 3 354.523 3.654 20 0 FHADHO c1nc(-c2ccccn2)sc1C[N@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000535807737 934413792 /nfs/dbraw/zinc/41/37/92/934413792.db2.gz BEAMWHXXHFCXGS-KXBFYZLASA-N 1 3 354.523 3.654 20 0 FHADHO CC[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(I)cc1 ZINC000610825755 934500516 /nfs/dbraw/zinc/50/05/16/934500516.db2.gz MLSILPILMCSJDI-KCXAZCMYSA-N 1 3 372.294 3.815 20 0 FHADHO CC[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(I)cc1 ZINC000610825755 934500523 /nfs/dbraw/zinc/50/05/23/934500523.db2.gz MLSILPILMCSJDI-KCXAZCMYSA-N 1 3 372.294 3.815 20 0 FHADHO C[C@H](O)C[NH+]1CCC(CN(C)Cc2cnc(C3CCCCC3)s2)CC1 ZINC000535833985 934571986 /nfs/dbraw/zinc/57/19/86/934571986.db2.gz DQRGLZKXTXRKOQ-INIZCTEOSA-N 1 3 365.587 3.715 20 0 FHADHO C[C@H](Cc1ccc(F)c(Br)c1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000090456594 934642945 /nfs/dbraw/zinc/64/29/45/934642945.db2.gz GEEIXEIJCUZLBL-VHDGCEQUSA-N 1 3 355.295 3.736 20 0 FHADHO C[C@H](Cc1ccc(F)c(Br)c1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090456594 934642950 /nfs/dbraw/zinc/64/29/50/934642950.db2.gz GEEIXEIJCUZLBL-VHDGCEQUSA-N 1 3 355.295 3.736 20 0 FHADHO CCN(CC)[C@H](CNC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1)c1ccsc1 ZINC000236878729 934938133 /nfs/dbraw/zinc/93/81/33/934938133.db2.gz GTWSCLHMTDJNHN-KFKAGJAMSA-N 1 3 359.539 3.583 20 0 FHADHO Cc1ccc([C@H](C)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)s1 ZINC000156887222 934968574 /nfs/dbraw/zinc/96/85/74/934968574.db2.gz XFNZOLVZNVVVIX-LPHOPBHVSA-N 1 3 371.550 3.605 20 0 FHADHO Cc1ccc([C@H](C)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)s1 ZINC000156887222 934968576 /nfs/dbraw/zinc/96/85/76/934968576.db2.gz XFNZOLVZNVVVIX-LPHOPBHVSA-N 1 3 371.550 3.605 20 0 FHADHO CC[NH+](CC)Cc1ccc(CNCc2ccc(O[C@@H]3CCOC3)cc2)cc1 ZINC000657296825 935000293 /nfs/dbraw/zinc/00/02/93/935000293.db2.gz IHIROWXYHXHHPI-HSZRJFAPSA-N 1 3 368.521 3.986 20 0 FHADHO Clc1ccccc1CN1CCC(C[NH2+]Cc2cn(C3CCC3)nn2)CC1 ZINC000657353228 935321664 /nfs/dbraw/zinc/32/16/64/935321664.db2.gz HCHGBJXOZVCEOB-UHFFFAOYSA-N 1 3 373.932 3.658 20 0 FHADHO Clc1ccccc1C[NH+]1CCC(CNCc2cn(C3CCC3)nn2)CC1 ZINC000657353228 935321670 /nfs/dbraw/zinc/32/16/70/935321670.db2.gz HCHGBJXOZVCEOB-UHFFFAOYSA-N 1 3 373.932 3.658 20 0 FHADHO C[C@H](N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1cccc(-n2ccnn2)c1 ZINC000582140533 935324257 /nfs/dbraw/zinc/32/42/57/935324257.db2.gz UWKPPBARSXMUJZ-LNLFQRSKSA-N 1 3 353.514 3.571 20 0 FHADHO C[C@H](N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1cccc(-n2ccnn2)c1 ZINC000582140533 935324262 /nfs/dbraw/zinc/32/42/62/935324262.db2.gz UWKPPBARSXMUJZ-LNLFQRSKSA-N 1 3 353.514 3.571 20 0 FHADHO C[C@H]([NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1)c1cccc(-n2ccnn2)c1 ZINC000582140533 935324269 /nfs/dbraw/zinc/32/42/69/935324269.db2.gz UWKPPBARSXMUJZ-LNLFQRSKSA-N 1 3 353.514 3.571 20 0 FHADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1ccnn1CC1CC1 ZINC000657398785 935556486 /nfs/dbraw/zinc/55/64/86/935556486.db2.gz MSQBQDPVAVHZHS-QZTJIDSGSA-N 1 3 352.526 3.539 20 0 FHADHO O[C@@H]1CCC[C@@H]1N1CCC([NH2+]Cc2ccc(-c3cccs3)cc2)CC1 ZINC000657399448 935562378 /nfs/dbraw/zinc/56/23/78/935562378.db2.gz JBBFYAPMDBXRTA-VQTJNVASSA-N 1 3 356.535 3.883 20 0 FHADHO c1nc(CNCC2CC[NH+](C3CCOCC3)CC2)sc1-c1ccccc1 ZINC000657535525 935973688 /nfs/dbraw/zinc/97/36/88/935973688.db2.gz OFURGJIFLYLPKO-UHFFFAOYSA-N 1 3 371.550 3.791 20 0 FHADHO O[C@@H]1CC[N@H+](Cc2ccc(CNCc3ccc(C(F)(F)F)cc3)cc2)C1 ZINC000657593142 936068458 /nfs/dbraw/zinc/06/84/58/936068458.db2.gz DVPNSQOGMHPWNJ-LJQANCHMSA-N 1 3 364.411 3.562 20 0 FHADHO O[C@@H]1CC[N@@H+](Cc2ccc(CNCc3ccc(C(F)(F)F)cc3)cc2)C1 ZINC000657593142 936068463 /nfs/dbraw/zinc/06/84/63/936068463.db2.gz DVPNSQOGMHPWNJ-LJQANCHMSA-N 1 3 364.411 3.562 20 0 FHADHO CC(C)COc1ccc(CNCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000657595329 936075433 /nfs/dbraw/zinc/07/54/33/936075433.db2.gz OXRWCGPIKMDHFD-QFIPXVFZSA-N 1 3 368.521 3.578 20 0 FHADHO CC(C)COc1ccc(CNCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000657595329 936075438 /nfs/dbraw/zinc/07/54/38/936075438.db2.gz OXRWCGPIKMDHFD-QFIPXVFZSA-N 1 3 368.521 3.578 20 0 FHADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2Cc2c(Cl)ccc3cccnc32)C1 ZINC000650722888 938310076 /nfs/dbraw/zinc/31/00/76/938310076.db2.gz DBAUOHCGGWOVBH-MNEFBYGVSA-N 1 3 359.901 3.749 20 0 FHADHO C[N@@H+](Cc1ccccc1)CC1CCN(C[C@H](O)c2cccc(F)c2)CC1 ZINC000728570497 938321068 /nfs/dbraw/zinc/32/10/68/938321068.db2.gz MQEYPBPIOAKBNA-QFIPXVFZSA-N 1 3 356.485 3.703 20 0 FHADHO C[N@H+](Cc1ccccc1)CC1CCN(C[C@H](O)c2cccc(F)c2)CC1 ZINC000728570497 938321070 /nfs/dbraw/zinc/32/10/70/938321070.db2.gz MQEYPBPIOAKBNA-QFIPXVFZSA-N 1 3 356.485 3.703 20 0 FHADHO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CN1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000583693146 938360632 /nfs/dbraw/zinc/36/06/32/938360632.db2.gz AAXXFTHTMYUHIT-DZFGPLHGSA-N 1 3 372.944 3.761 20 0 FHADHO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CN1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000583693147 938360779 /nfs/dbraw/zinc/36/07/79/938360779.db2.gz AAXXFTHTMYUHIT-IOMROCGXSA-N 1 3 372.944 3.761 20 0 FHADHO Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CN(Cc3ccccc3)C[C@H]2C)o1 ZINC000708539719 938815078 /nfs/dbraw/zinc/81/50/78/938815078.db2.gz DXUNRKPWMBQXSR-OXQOHEQNSA-N 1 3 364.493 3.836 20 0 FHADHO C[C@@H]1C[C@H](NCCNC(=O)CC2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000089666742 938862294 /nfs/dbraw/zinc/86/22/94/938862294.db2.gz ZYESLCLQTNUCME-DENIHFKCSA-N 1 3 371.569 3.716 20 0 FHADHO C[C@@H]1C[C@H](NCCNC(=O)CC2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000089666742 938862297 /nfs/dbraw/zinc/86/22/97/938862297.db2.gz ZYESLCLQTNUCME-DENIHFKCSA-N 1 3 371.569 3.716 20 0 FHADHO C[NH+](C)CCOc1cc(CN[C@@H]2CCCc3ccc(Cl)cc32)ccn1 ZINC000090937164 938879295 /nfs/dbraw/zinc/87/92/95/938879295.db2.gz IIDPRGATZVAPIH-LJQANCHMSA-N 1 3 359.901 3.843 20 0 FHADHO CC(C)[C@@H](NCc1ccccc1C[NH+]1CCC(O)CC1)c1cccnc1 ZINC000091367835 938900604 /nfs/dbraw/zinc/90/06/04/938900604.db2.gz LFNQGHBSSTVRLO-JOCHJYFZSA-N 1 3 353.510 3.525 20 0 FHADHO COc1cccc2c1CC[C@@H]([NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1)C2 ZINC000415008350 945215054 /nfs/dbraw/zinc/21/50/54/945215054.db2.gz SKVFVIZACBQPFD-CEWLAPEOSA-N 1 3 368.496 3.675 20 0 FHADHO C[NH+](C)[C@@H](CC(=O)NC[C@@H](c1cccs1)N1CCCC1)c1ccccc1 ZINC000431562199 938971170 /nfs/dbraw/zinc/97/11/70/938971170.db2.gz BROGSSXYHFWCSL-OALUTQOASA-N 1 3 371.550 3.694 20 0 FHADHO Cc1nc2c(s1)[C@@H](N(C)Cc1ccc(OCC[NH+](C)C)cc1)CCC2 ZINC000093364877 938995312 /nfs/dbraw/zinc/99/53/12/938995312.db2.gz BQJKEBOCTQIMRZ-IBGZPJMESA-N 1 3 359.539 3.901 20 0 FHADHO CO[C@@H]1CCC[C@H]([C@@H](CO)NC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC000658116632 939025090 /nfs/dbraw/zinc/02/50/90/939025090.db2.gz WOVSAUXQRWXOLW-DFQSSKMNSA-N 1 3 368.606 3.821 20 0 FHADHO c1ccc2c(c1)[nH]c1c2C[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC000658165370 939053837 /nfs/dbraw/zinc/05/38/37/939053837.db2.gz IXTKVTDKHAHQNL-LJQANCHMSA-N 1 3 360.505 3.532 20 0 FHADHO c1cncc([C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C2CCC2)c1 ZINC000658167325 939055051 /nfs/dbraw/zinc/05/50/51/939055051.db2.gz RQPCOWJKXOZSDT-JOCHJYFZSA-N 1 3 350.510 3.820 20 0 FHADHO COc1ccc2c(c1)CCC[C@@H]2[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658167439 939055080 /nfs/dbraw/zinc/05/50/80/939055080.db2.gz SEBLDJWXGXSRBN-QHCPKHFHSA-N 1 3 365.521 3.969 20 0 FHADHO CC[C@@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2)c1cnn(C)c1 ZINC000658319971 939110366 /nfs/dbraw/zinc/11/03/66/939110366.db2.gz KUAZZBGTDSIHRK-LEWJYISDSA-N 1 3 352.526 3.763 20 0 FHADHO Cc1cccc(N2CCN(CCCC[NH2+]Cc3ccc(F)cc3F)CC2)c1 ZINC000518271207 945276962 /nfs/dbraw/zinc/27/69/62/945276962.db2.gz MBNGKLDZWUXJNJ-UHFFFAOYSA-N 1 3 373.491 3.965 20 0 FHADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(Cc2ccccc2Oc2cccnc2)CC1 ZINC000584472851 939997796 /nfs/dbraw/zinc/99/77/96/939997796.db2.gz HZSGCJRZLNFLPR-IRLDBZIGSA-N 1 3 367.493 3.592 20 0 FHADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+][C@H]2CCCC[C@H]2C2CC2)cc1 ZINC000507508672 945288555 /nfs/dbraw/zinc/28/85/55/945288555.db2.gz KAAUVLCYSPJWHO-VXKWHMMOSA-N 1 3 369.553 3.571 20 0 FHADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN(C)CC2CCCCC2)CC1 ZINC000548933017 940096357 /nfs/dbraw/zinc/09/63/57/940096357.db2.gz DEQRUUKJOHBIEO-UHFFFAOYSA-N 1 3 371.569 3.588 20 0 FHADHO Cc1ccsc1[C@H](CO)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000507520568 945299650 /nfs/dbraw/zinc/29/96/50/945299650.db2.gz RLKFOFNCZSCSJR-HAGHYFMRSA-N 1 3 356.535 3.590 20 0 FHADHO CC[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2)[C@H]1C[C@H]1C ZINC000414151821 940681079 /nfs/dbraw/zinc/68/10/79/940681079.db2.gz WPQJEFKPPYKGBX-YJMBLLCNSA-N 1 3 356.554 3.939 20 0 FHADHO CC(C)N1CCC([NH2+][C@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)CC1 ZINC000174295126 940718412 /nfs/dbraw/zinc/71/84/12/940718412.db2.gz AIQACUQOHWDSKC-ZWKOTPCHSA-N 1 3 367.537 3.868 20 0 FHADHO CO[C@H]1c2ccccc2C[C@H]1N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000414219502 940787337 /nfs/dbraw/zinc/78/73/37/940787337.db2.gz HMVXLJXPKQDFEX-ZECSIRQKSA-N 1 3 350.506 3.942 20 0 FHADHO CO[C@H]1c2ccccc2C[C@H]1N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000414219502 940787338 /nfs/dbraw/zinc/78/73/38/940787338.db2.gz HMVXLJXPKQDFEX-ZECSIRQKSA-N 1 3 350.506 3.942 20 0 FHADHO Cc1cc([C@@H](C)NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)cs1 ZINC000414334861 940996915 /nfs/dbraw/zinc/99/69/15/940996915.db2.gz GJPASWWACYZPPT-MRXNPFEDSA-N 1 3 371.550 3.605 20 0 FHADHO CN(C)[C@H](CNC(=O)C[NH2+][C@@H](c1ccccc1)C(C)(C)C)c1ccccc1 ZINC001167698714 941029883 /nfs/dbraw/zinc/02/98/83/941029883.db2.gz BQKMVKPCKHUTTB-IRLDBZIGSA-N 1 3 367.537 3.783 20 0 FHADHO c1cc2c(cc1CCC[NH2+]C1CCN(C3CCCCC3)CC1)OCCO2 ZINC000414383622 941074542 /nfs/dbraw/zinc/07/45/42/941074542.db2.gz UKPDLWZVQMBUHI-UHFFFAOYSA-N 1 3 358.526 3.777 20 0 FHADHO C[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423369527 941093060 /nfs/dbraw/zinc/09/30/60/941093060.db2.gz FAXLPJNDLZDRCY-UHOSZYNNSA-N 1 3 364.493 3.834 20 0 FHADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCCN2CCC(C)CC2)c2ccccc21 ZINC000549142708 941522606 /nfs/dbraw/zinc/52/26/06/941522606.db2.gz XOLCAYVUANCKCH-RTWAWAEBSA-N 1 3 358.526 3.880 20 0 FHADHO [NH3+][C@H]1CCC[C@H](CNCc2csc(COc3ccc(Cl)cc3)n2)C1 ZINC000415013614 941547000 /nfs/dbraw/zinc/54/70/00/941547000.db2.gz YOEKOVRYASSXRE-ZFWWWQNUSA-N 1 3 365.930 3.983 20 0 FHADHO CC(C)C[C@@H](N)C[NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000415096269 941599417 /nfs/dbraw/zinc/59/94/17/941599417.db2.gz AUHQDNHRQKJABZ-QGZVFWFLSA-N 1 3 357.464 3.633 20 0 FHADHO CC(C)C[C@@H]([NH3+])CNC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000415096269 941599419 /nfs/dbraw/zinc/59/94/19/941599419.db2.gz AUHQDNHRQKJABZ-QGZVFWFLSA-N 1 3 357.464 3.633 20 0 FHADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccc(C4CCC4)cc3)CC2)CC1 ZINC000377284388 941618676 /nfs/dbraw/zinc/61/86/76/941618676.db2.gz BRPKLOVEDMEJCA-UHFFFAOYSA-N 1 3 370.541 3.634 20 0 FHADHO Cc1cc(CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c(OC(F)F)cc1C ZINC000415129439 941622598 /nfs/dbraw/zinc/62/25/98/941622598.db2.gz UWZLTAPYMXIQPU-QZTJIDSGSA-N 1 3 368.468 3.623 20 0 FHADHO CC[C@H](CN[C@H](C)CC(=O)Nc1ccccc1C(F)(F)F)[NH+]1CCCC1 ZINC000119286394 941876277 /nfs/dbraw/zinc/87/62/77/941876277.db2.gz FXENBHDYOHXGLV-HUUCEWRRSA-N 1 3 371.447 3.887 20 0 FHADHO CC[C@H](CN[C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F)[NH+]1CCCC1 ZINC000119286185 941876521 /nfs/dbraw/zinc/87/65/21/941876521.db2.gz FXENBHDYOHXGLV-LSDHHAIUSA-N 1 3 371.447 3.887 20 0 FHADHO C[C@@H]1C[C@H]([NH2+]C[C@H](c2cccs2)N(C)C)CCN1Cc1ccccc1 ZINC000513481380 941957672 /nfs/dbraw/zinc/95/76/72/941957672.db2.gz BCIHSCRASKFCQH-MISYRCLQSA-N 1 3 357.567 3.994 20 0 FHADHO C[C@@H]1C[C@H](NC[C@H](c2cccs2)N(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000513481380 941957674 /nfs/dbraw/zinc/95/76/74/941957674.db2.gz BCIHSCRASKFCQH-MISYRCLQSA-N 1 3 357.567 3.994 20 0 FHADHO C[C@@H]1C[C@H](NC[C@H](c2cccs2)N(C)C)CC[N@H+]1Cc1ccccc1 ZINC000513481380 941957676 /nfs/dbraw/zinc/95/76/76/941957676.db2.gz BCIHSCRASKFCQH-MISYRCLQSA-N 1 3 357.567 3.994 20 0 FHADHO Cc1noc(CCC[NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)n1 ZINC000513655725 942058162 /nfs/dbraw/zinc/05/81/62/942058162.db2.gz NYLFQFGOXHCEIC-QHAWAJNXSA-N 1 3 368.525 3.591 20 0 FHADHO C[N@@H+](Cc1ccccc1)CC1CCN(Cc2cnc3ccccc3n2)CC1 ZINC000659872946 942085492 /nfs/dbraw/zinc/08/54/92/942085492.db2.gz HMFWLBLYOBVANB-UHFFFAOYSA-N 1 3 360.505 3.974 20 0 FHADHO C[N@H+](Cc1ccccc1)CC1CCN(Cc2cnc3ccccc3n2)CC1 ZINC000659872946 942085503 /nfs/dbraw/zinc/08/55/03/942085503.db2.gz HMFWLBLYOBVANB-UHFFFAOYSA-N 1 3 360.505 3.974 20 0 FHADHO CC[NH2+]Cc1cccc(NC(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)c1 ZINC000415905907 942133806 /nfs/dbraw/zinc/13/38/06/942133806.db2.gz JDBYDUSHAWTVHZ-UWJYYQICSA-N 1 3 366.509 3.581 20 0 FHADHO CC(C)N1CCN(CCC[NH2+][C@@H](C)c2ccc(Br)s2)CC1 ZINC000501938181 942135981 /nfs/dbraw/zinc/13/59/81/942135981.db2.gz KFERDPWZEQTJAF-AWEZNQCLSA-N 1 3 374.392 3.577 20 0 FHADHO CC[NH2+]Cc1cccc(NC(=O)NC[C@H](N[C@@H](C)CC)c2ccco2)c1 ZINC000415936312 942158668 /nfs/dbraw/zinc/15/86/68/942158668.db2.gz TWTIJZDZVGUBHH-YJBOKZPZSA-N 1 3 358.486 3.640 20 0 FHADHO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000502048402 942198561 /nfs/dbraw/zinc/19/85/61/942198561.db2.gz XQYZORRJPXBYRO-FPOVZHCZSA-N 1 3 357.542 3.571 20 0 FHADHO C[C@H](CN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21)c1ccc(C(F)(F)F)cc1 ZINC000501040455 942270428 /nfs/dbraw/zinc/27/04/28/942270428.db2.gz ZYIGKXDYMWCMLH-ZWQIFLOQSA-N 1 3 370.459 3.992 20 0 FHADHO CCCN1CCN(c2ccccc2C[NH2+]C2CCC(COC)CC2)CC1 ZINC000419820022 942397431 /nfs/dbraw/zinc/39/74/31/942397431.db2.gz NUDMAZHDQRTFQA-UHFFFAOYSA-N 1 3 359.558 3.513 20 0 FHADHO O[C@@H](C[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1)c1ccccc1F ZINC000312075702 942415492 /nfs/dbraw/zinc/41/54/92/942415492.db2.gz QARBVUCKQUKLPQ-UGKGYDQZSA-N 1 3 356.485 3.751 20 0 FHADHO Cn1cc(-c2ccc(CN3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)s2)cn1 ZINC000549406589 942480154 /nfs/dbraw/zinc/48/01/54/942480154.db2.gz FODDIWDAGFNDFS-DNVCBOLYSA-N 1 3 356.539 3.597 20 0 FHADHO Cn1cc(-c2ccc(CN3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)s2)cn1 ZINC000549406589 942480155 /nfs/dbraw/zinc/48/01/55/942480155.db2.gz FODDIWDAGFNDFS-DNVCBOLYSA-N 1 3 356.539 3.597 20 0 FHADHO C/C(=C\c1ccccc1C(F)(F)F)C[NH2+]C[C@H](O)CN1CCC(C)CC1 ZINC000501475616 942501385 /nfs/dbraw/zinc/50/13/85/942501385.db2.gz JVAADTFUPRKBJB-FYXHJSOBSA-N 1 3 370.459 3.791 20 0 FHADHO COc1ccc([C@@H](C[NH3+])CN2CCC[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000420295872 942598112 /nfs/dbraw/zinc/59/81/12/942598112.db2.gz BBVZVIWWANSQGQ-LAUBAEHRSA-N 1 3 370.493 3.592 20 0 FHADHO COc1ccc([C@H](C[NH3+])CN2CCC[C@@H]2c2ccc(OC)cc2OC)cc1 ZINC000420300992 942611139 /nfs/dbraw/zinc/61/11/39/942611139.db2.gz IHPFAQNYCHGSDM-DYESRHJHSA-N 1 3 370.493 3.592 20 0 FHADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2ccccc2Oc2ccccc2)CC1 ZINC000420323849 942614251 /nfs/dbraw/zinc/61/42/51/942614251.db2.gz BOZPZIYGBHRGMA-IRLDBZIGSA-N 1 3 352.478 3.807 20 0 FHADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@H](c3nc(C)c(C)s3)C2)cc1 ZINC000420321240 942621262 /nfs/dbraw/zinc/62/12/62/942621262.db2.gz QXUUHBKVUWJTMW-ZWKOTPCHSA-N 1 3 359.539 3.690 20 0 FHADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@H](c3nc(C)c(C)s3)C2)cc1 ZINC000420321240 942621268 /nfs/dbraw/zinc/62/12/68/942621268.db2.gz QXUUHBKVUWJTMW-ZWKOTPCHSA-N 1 3 359.539 3.690 20 0 FHADHO COc1ccc([C@H](C[NH3+])CN2CCC[C@H](c3nc(C)c(C)s3)C2)cc1 ZINC000420321240 942621273 /nfs/dbraw/zinc/62/12/73/942621273.db2.gz QXUUHBKVUWJTMW-ZWKOTPCHSA-N 1 3 359.539 3.690 20 0 FHADHO C[C@H](c1nc(-c2ccc(Cl)cc2)no1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420327926 942630138 /nfs/dbraw/zinc/63/01/38/942630138.db2.gz LSWXBKUKPFMAQX-FVQBIDKESA-N 1 3 360.889 3.773 20 0 FHADHO CC[C@H]1CN(CCC(=O)Nc2ccccc2-c2ccccc2)CC[C@H]1[NH3+] ZINC000647939042 942643359 /nfs/dbraw/zinc/64/33/59/942643359.db2.gz ZOXLGAXLFUIPRV-FXAWDEMLSA-N 1 3 351.494 3.741 20 0 FHADHO CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@H]2CCCCN2C2CC2)cc1 ZINC000434424965 942652578 /nfs/dbraw/zinc/65/25/78/942652578.db2.gz LXFKJAUFUGSFRY-OAQYLSRUSA-N 1 3 357.542 3.665 20 0 FHADHO CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@H]2CCCCN2C2CC2)cc1 ZINC000434424965 942652582 /nfs/dbraw/zinc/65/25/82/942652582.db2.gz LXFKJAUFUGSFRY-OAQYLSRUSA-N 1 3 357.542 3.665 20 0 FHADHO CC(=O)c1c(C)cc(C)c(CN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c1C ZINC000420391037 942652796 /nfs/dbraw/zinc/65/27/96/942652796.db2.gz NSJGPIAMLNXTHC-PZJWPPBQSA-N 1 3 358.526 3.533 20 0 FHADHO C[C@H]1CCN(CCC(=O)Nc2ccccc2Oc2ccccc2)C[C@H]1C[NH3+] ZINC000420407715 942664425 /nfs/dbraw/zinc/66/44/25/942664425.db2.gz OOCOKSFWDAXBOQ-ZWKOTPCHSA-N 1 3 367.493 3.724 20 0 FHADHO O=C(CCN1CCCC[C@@H]1[C@H]1CC[NH2+]C1)Nc1cc(Cl)ccc1Cl ZINC000420409527 942665202 /nfs/dbraw/zinc/66/52/02/942665202.db2.gz XESHWCGJWBTYSZ-SUMWQHHRSA-N 1 3 370.324 3.786 20 0 FHADHO Cc1cccc(N2CCN(CCCC[NH2+][C@@H](C)c3cc(C)ccn3)CC2)c1 ZINC000514087375 942738902 /nfs/dbraw/zinc/73/89/02/942738902.db2.gz GYMGICDMCAAIOJ-NRFANRHFSA-N 1 3 366.553 3.951 20 0 FHADHO CN(CC[N@H+](C)C1CCN(C)CC1)C(c1ccccc1)c1ccccc1 ZINC000514118819 942767622 /nfs/dbraw/zinc/76/76/22/942767622.db2.gz NMQKVMYUJNLCAI-UHFFFAOYSA-N 1 3 351.538 3.734 20 0 FHADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C(c1ccccc1)c1ccccc1 ZINC000514118819 942767628 /nfs/dbraw/zinc/76/76/28/942767628.db2.gz NMQKVMYUJNLCAI-UHFFFAOYSA-N 1 3 351.538 3.734 20 0 FHADHO CCCC[N@H+](CC)Cc1cccc(CNC(=O)N(CC)[C@@H]2CCN(C)C2)c1 ZINC000664428648 942780487 /nfs/dbraw/zinc/78/04/87/942780487.db2.gz NZCNXUQTQNBYQO-OAQYLSRUSA-N 1 3 374.573 3.544 20 0 FHADHO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N(CC)[C@@H]2CCN(C)C2)c1 ZINC000664428648 942780490 /nfs/dbraw/zinc/78/04/90/942780490.db2.gz NZCNXUQTQNBYQO-OAQYLSRUSA-N 1 3 374.573 3.544 20 0 FHADHO C[C@@H]([NH2+]CCCCN1CCN(c2ccccc2)CC1)c1ccncc1Cl ZINC000421823857 942833517 /nfs/dbraw/zinc/83/35/17/942833517.db2.gz FPHCGJJXELNHDT-GOSISDBHSA-N 1 3 372.944 3.988 20 0 FHADHO C[C@@H](NCCCC[NH+]1CCN(c2ccccc2)CC1)c1ccncc1Cl ZINC000421823857 942833522 /nfs/dbraw/zinc/83/35/22/942833522.db2.gz FPHCGJJXELNHDT-GOSISDBHSA-N 1 3 372.944 3.988 20 0 FHADHO COc1ccc([C@@H](C)[NH2+][C@H]2CCc3c[nH]nc3C2)cc1CN1CCCCC1 ZINC000378512201 942845759 /nfs/dbraw/zinc/84/57/59/942845759.db2.gz JVFDUYQVRZHCPC-UZLBHIALSA-N 1 3 368.525 3.612 20 0 FHADHO Cc1ccc(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc1Br ZINC000503004326 942905572 /nfs/dbraw/zinc/90/55/72/942905572.db2.gz JAGUDDSMKBSPGV-IYBDPMFKSA-N 1 3 369.347 3.737 20 0 FHADHO Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)N[C@@H](C[NH3+])C1CCCCC1 ZINC000414856180 942997877 /nfs/dbraw/zinc/99/78/77/942997877.db2.gz YLLKJRZLPOXUIF-KDOFPFPSSA-N 1 3 351.922 3.863 20 0 FHADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)N[C@H](C[NH3+])C1CCCCC1 ZINC000414856959 943030822 /nfs/dbraw/zinc/03/08/22/943030822.db2.gz ZUIXSCCSMNZERH-CXAGYDPISA-N 1 3 367.921 3.563 20 0 FHADHO C[C@H]1C[C@@H](C[NH3+])CN1Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000414655590 943110974 /nfs/dbraw/zinc/11/09/74/943110974.db2.gz DIBXEDFIUQTNRA-ICSRJNTNSA-N 1 3 360.505 3.768 20 0 FHADHO [NH3+]C[C@@H]1CCN(Cc2ccc(-c3ccccc3Br)s2)C1 ZINC000414654369 943113570 /nfs/dbraw/zinc/11/35/70/943113570.db2.gz JBQAVMDHADOSOH-LBPRGKRZSA-N 1 3 351.313 3.958 20 0 FHADHO C[NH+](C)[C@@H]1CCOc2c(NC3CCN(CCC(F)(F)F)CC3)cccc21 ZINC000435031602 943114630 /nfs/dbraw/zinc/11/46/30/943114630.db2.gz CBUWYWVWVZTKBS-QGZVFWFLSA-N 1 3 371.447 3.901 20 0 FHADHO Cc1nn(-c2ccc(Cl)cc2)c(C)c1CN1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000414674911 943200313 /nfs/dbraw/zinc/20/03/13/943200313.db2.gz SJPYTFYPDHVPQZ-RYGJVYDSSA-N 1 3 358.917 3.702 20 0 FHADHO C[C@@H]1C[C@@H](C)[N@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C[C@H]1CN ZINC000422636174 943215754 /nfs/dbraw/zinc/21/57/54/943215754.db2.gz MOCKVJNSPDNZFR-QWFCFKBJSA-N 1 3 365.521 3.987 20 0 FHADHO C[C@@H]1C[C@@H](C)[N@@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C[C@H]1CN ZINC000422636174 943215758 /nfs/dbraw/zinc/21/57/58/943215758.db2.gz MOCKVJNSPDNZFR-QWFCFKBJSA-N 1 3 365.521 3.987 20 0 FHADHO C[C@@H]1C[C@@H](C)N(CCC(=O)Nc2ccccc2-c2ccccc2)C[C@H]1C[NH3+] ZINC000422636174 943215761 /nfs/dbraw/zinc/21/57/61/943215761.db2.gz MOCKVJNSPDNZFR-QWFCFKBJSA-N 1 3 365.521 3.987 20 0 FHADHO COCCSc1ccc([C@H](C)N[C@@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000422712931 943244726 /nfs/dbraw/zinc/24/47/26/943244726.db2.gz IYQRRXUJALTBEB-GJZGRUSLSA-N 1 3 359.539 3.999 20 0 FHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCc1ccc(Br)s1 ZINC000422712914 943244819 /nfs/dbraw/zinc/24/48/19/943244819.db2.gz IWTKDLMLNUZLSH-SNVBAGLBSA-N 1 3 354.317 3.566 20 0 FHADHO NC[C@@H]1CCCC[C@H]1[NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000422714474 943254209 /nfs/dbraw/zinc/25/42/09/943254209.db2.gz RBRBGQVWDYDEPT-QFBILLFUSA-N 1 3 369.475 3.777 20 0 FHADHO C[C@@H]1CC[NH2+]C[C@@H]1NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000422726337 943260698 /nfs/dbraw/zinc/26/06/98/943260698.db2.gz DQBSBCJIIQFHAO-ACJLOTCBSA-N 1 3 356.341 3.545 20 0 FHADHO CC(C)(CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)c1ccc(F)cc1Cl ZINC000422737743 943264874 /nfs/dbraw/zinc/26/48/74/943264874.db2.gz XVTKLQBWCOYSIQ-ZTFGCOKTSA-N 1 3 354.897 3.503 20 0 FHADHO Cc1cc(F)ccc1N1CCC[C@@H]([NH2+][C@H](C)c2ccc(CN)nc2C)C1 ZINC000422752005 943272119 /nfs/dbraw/zinc/27/21/19/943272119.db2.gz CDYUZEQUNABKKL-VQIMIIECSA-N 1 3 356.489 3.616 20 0 FHADHO CCOc1cccc([C@H](C)N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422783593 943281489 /nfs/dbraw/zinc/28/14/89/943281489.db2.gz OMBVYJRTJCLBRB-AQKFKSFVSA-N 1 3 352.478 3.992 20 0 FHADHO CCN(c1ccccc1)c1ccc(CN[C@@H]2CCOC[C@H]2[C@H](C)[NH3+])cc1 ZINC000422789335 943293030 /nfs/dbraw/zinc/29/30/30/943293030.db2.gz ODTAVIFOKDYPFA-BULFRSBZSA-N 1 3 353.510 3.687 20 0 FHADHO Cc1ccc([C@@H]2OCCC[C@H]2C[NH2+][C@H](C)c2ccc(CN)nc2C)cc1 ZINC000422813376 943293366 /nfs/dbraw/zinc/29/33/66/943293366.db2.gz YAOXJGGZULUTEW-WVBUVRCRSA-N 1 3 353.510 3.976 20 0 FHADHO C[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)Oc1ccccc1Br ZINC000422837977 943301369 /nfs/dbraw/zinc/30/13/69/943301369.db2.gz NJAMLHAPYUKBNM-TXCZRRACSA-N 1 3 367.331 3.727 20 0 FHADHO C[C@H](C[NH2+][C@@H]1C[C@@H](N)c2ccccc21)Oc1ccccc1Br ZINC000422841273 943301698 /nfs/dbraw/zinc/30/16/98/943301698.db2.gz VLNCNJRJDPHPEI-CSMYWGQOSA-N 1 3 361.283 3.951 20 0 FHADHO C[C@@H](c1cccs1)[N@@H+](Cc1ccccc1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414701000 943313563 /nfs/dbraw/zinc/31/35/63/943313563.db2.gz JWNQRYVFZSVYJX-PKOBYXMFSA-N 1 3 371.550 3.509 20 0 FHADHO C[C@@H](c1cccs1)[N@H+](Cc1ccccc1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414701000 943313567 /nfs/dbraw/zinc/31/35/67/943313567.db2.gz JWNQRYVFZSVYJX-PKOBYXMFSA-N 1 3 371.550 3.509 20 0 FHADHO COc1cccc2c1CC[C@@H]2N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422883115 943316410 /nfs/dbraw/zinc/31/64/10/943316410.db2.gz BOZMRBFBEJUWRG-NNMXDRDESA-N 1 3 350.462 3.528 20 0 FHADHO Cc1nccn1-c1ccc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1F ZINC000422903358 943325246 /nfs/dbraw/zinc/32/52/46/943325246.db2.gz OILUJPXUFSFJGH-YZGWKJHDSA-N 1 3 356.489 3.720 20 0 FHADHO Cc1nccn1-c1ccc(CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1F ZINC000422903356 943325424 /nfs/dbraw/zinc/32/54/24/943325424.db2.gz OILUJPXUFSFJGH-MISYRCLQSA-N 1 3 356.489 3.720 20 0 FHADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC000422894382 943331334 /nfs/dbraw/zinc/33/13/34/943331334.db2.gz TVJJXKCQICGWAR-PXNSSMCTSA-N 1 3 355.457 3.685 20 0 FHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H](C)Cc1ccc(Br)cc1 ZINC000422943173 943340168 /nfs/dbraw/zinc/34/01/68/943340168.db2.gz QMAMANBQWPMKHG-CHWSQXEVSA-N 1 3 362.315 3.893 20 0 FHADHO c1cc(CN2CCSCC2)cc(N[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000422957656 943350039 /nfs/dbraw/zinc/35/00/39/943350039.db2.gz USUWDLWTOORVKU-NJDAHSKKSA-N 1 3 359.583 3.958 20 0 FHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCCO[C@H]1CCCc2ccccc21 ZINC000422981299 943357010 /nfs/dbraw/zinc/35/70/10/943357010.db2.gz NSCCBSDUPXYQJE-AOMKIAJQSA-N 1 3 353.510 3.984 20 0 FHADHO Cc1ccc([C@@H](Cn2ccnc2)N[C@@H](C)c2ccc(C[NH3+])nc2C)c(C)c1 ZINC000423008286 943363600 /nfs/dbraw/zinc/36/36/00/943363600.db2.gz ZRLLTYBFUROGNK-PGRDOPGGSA-N 1 3 363.509 3.754 20 0 FHADHO Fc1cc(N2CC[C@H](N[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)C2)ccc1Cl ZINC000423028232 943370934 /nfs/dbraw/zinc/37/09/34/943370934.db2.gz SJWGINZVPYQZMZ-ARKSPBFVSA-N 1 3 351.897 3.568 20 0 FHADHO NC[C@H]1CCC[C@@H]1[NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000423036310 943373419 /nfs/dbraw/zinc/37/34/19/943373419.db2.gz TWDIMPGRMSCUJO-KDOFPFPSSA-N 1 3 356.341 3.675 20 0 FHADHO Cc1nc(COc2ccc(CN3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)cc2)cs1 ZINC000435386182 943373539 /nfs/dbraw/zinc/37/35/39/943373539.db2.gz VSTPETCJJDVVCS-PWIZWCRZSA-N 1 3 357.523 3.590 20 0 FHADHO COC[C@H](CCC[NH3+])N[C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21 ZINC000423051387 943383819 /nfs/dbraw/zinc/38/38/19/943383819.db2.gz NZBKFTRIOVITLO-JKSUJKDBSA-N 1 3 363.502 3.670 20 0 FHADHO CN1CCC[C@H](N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c2ccccc21 ZINC000423152920 943411824 /nfs/dbraw/zinc/41/18/24/943411824.db2.gz GLKLOYWPUIGIIH-SXWKCWPCSA-N 1 3 363.505 3.803 20 0 FHADHO Brc1cccc([C@H](NC[C@H]2CCC[NH2+]C2)C2CCOCC2)c1 ZINC000423206076 943430886 /nfs/dbraw/zinc/43/08/86/943430886.db2.gz FSPTVABHYKBLJU-KBXCAEBGSA-N 1 3 367.331 3.506 20 0 FHADHO [NH3+]CCCN[C@@H]1CCCc2nc(-c3ccc(Br)cc3)sc21 ZINC000423187004 943434235 /nfs/dbraw/zinc/43/42/35/943434235.db2.gz KSVIZXIKXKSOQL-CYBMUJFWSA-N 1 3 366.328 3.888 20 0 FHADHO COCCC[C@@H](NC[C@@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000423215055 943445746 /nfs/dbraw/zinc/44/57/46/943445746.db2.gz QCDQUUYACSULTI-RHSMWYFYSA-N 1 3 355.320 3.506 20 0 FHADHO C[C@H]([NH3+])c1ccc(CN[C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)cc1 ZINC000423293466 943465923 /nfs/dbraw/zinc/46/59/23/943465923.db2.gz RKKLDXSSFKFLDK-GJZGRUSLSA-N 1 3 352.482 3.841 20 0 FHADHO CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414733833 943482254 /nfs/dbraw/zinc/48/22/54/943482254.db2.gz KGSOCUWSMFLBTP-ZIAGYGMSSA-N 1 3 362.905 3.589 20 0 FHADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H](N)CC2CCCCC2)CC1 ZINC000423368628 943493158 /nfs/dbraw/zinc/49/31/58/943493158.db2.gz BGCOUPMJYHCLMN-DYESRHJHSA-N 1 3 357.542 3.626 20 0 FHADHO Fc1ccc(Br)c2c1CC[C@H]2N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423429005 943516654 /nfs/dbraw/zinc/51/66/54/943516654.db2.gz HBGATYQZYKTMDI-APHBMKBZSA-N 1 3 353.279 3.553 20 0 FHADHO Fc1ccc([C@@H]2CCNC[C@@H]2C[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC000423471469 943525012 /nfs/dbraw/zinc/52/50/12/943525012.db2.gz MCXYUSKGBJOSHQ-GIGYVVOSSA-N 1 3 360.517 3.704 20 0 FHADHO Fc1ccc([C@@H]2CCNC[C@@H]2C[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)cc1 ZINC000423483089 943532804 /nfs/dbraw/zinc/53/28/04/943532804.db2.gz YEWJSIVRXCZPLV-VBCWZRPASA-N 1 3 360.517 3.704 20 0 FHADHO NC1(C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)C2CC3CC(C2)CC1C3 ZINC000423531331 943539114 /nfs/dbraw/zinc/53/91/14/943539114.db2.gz SKMSKVYIQQTNOZ-ZJIAUBBJSA-N 1 3 354.538 3.898 20 0 FHADHO COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]CC2(N)C3CC4CC(C3)CC2C4)cc1 ZINC000423525781 943546620 /nfs/dbraw/zinc/54/66/20/943546620.db2.gz KQZASZNDMCRPQG-LUBYCAEISA-N 1 3 354.538 3.930 20 0 FHADHO C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1CC[C@@H]2[NH2+]C1CCNCC1 ZINC000414775451 943736995 /nfs/dbraw/zinc/73/69/95/943736995.db2.gz CRZNGPXPMFSFGN-LILXYRQWSA-N 1 3 354.538 3.959 20 0 FHADHO CCOc1cc(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc(Cl)c1OC ZINC000414778000 943779347 /nfs/dbraw/zinc/77/93/47/943779347.db2.gz IUOPXOXIZRHQGC-HOTGVXAUSA-N 1 3 352.906 3.569 20 0 FHADHO CC(C)N1CC[C@H]([NH2+]CC[C@H]2CCCCN2C)[C@H]1c1ccc(F)c(F)c1 ZINC000549478069 943846731 /nfs/dbraw/zinc/84/67/31/943846731.db2.gz OUKXTYJRDRTHPS-JRGCBEDISA-N 1 3 365.512 3.953 20 0 FHADHO CCOCCC[N@@H+]1CC[C@H](NCCSc2ccc(F)cc2F)[C@@H](C)C1 ZINC000660305245 943930421 /nfs/dbraw/zinc/93/04/21/943930421.db2.gz JQRRMIPWKZYDQZ-YJBOKZPZSA-N 1 3 372.525 3.784 20 0 FHADHO CCOCCC[N@H+]1CC[C@H](NCCSc2ccc(F)cc2F)[C@@H](C)C1 ZINC000660305245 943930425 /nfs/dbraw/zinc/93/04/25/943930425.db2.gz JQRRMIPWKZYDQZ-YJBOKZPZSA-N 1 3 372.525 3.784 20 0 FHADHO [NH3+][C@H]1CCO[C@@H](C2CCN(Cc3cnc(-c4ccsc4)s3)CC2)C1 ZINC000515517164 943949107 /nfs/dbraw/zinc/94/91/07/943949107.db2.gz LQFKZDGAQLGDPU-DOTOQJQBSA-N 1 3 363.552 3.590 20 0 FHADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2ccc(F)c(-c3cccs3)c2)CC1 ZINC000414796105 943965467 /nfs/dbraw/zinc/96/54/67/943965467.db2.gz XFEGITIKXYXSPP-QUCCMNQESA-N 1 3 360.498 3.882 20 0 FHADHO Cc1cc(Br)cn2c(CNCc3ccc([C@@H](C)[NH3+])cc3)cnc12 ZINC000414814436 944118179 /nfs/dbraw/zinc/11/81/79/944118179.db2.gz VOUZZZHZTMFLKU-CYBMUJFWSA-N 1 3 373.298 3.715 20 0 FHADHO C[C@H](C[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1)CN(C)C ZINC000425923967 944189611 /nfs/dbraw/zinc/18/96/11/944189611.db2.gz OXWJHQWQMQUHEV-KDOFPFPSSA-N 1 3 369.347 3.704 20 0 FHADHO C[C@H](CN[C@H](c1cccc(Br)c1)C1CCOCC1)C[NH+](C)C ZINC000425923967 944189614 /nfs/dbraw/zinc/18/96/14/944189614.db2.gz OXWJHQWQMQUHEV-KDOFPFPSSA-N 1 3 369.347 3.704 20 0 FHADHO C[C@@H](COc1ccc2cc(Br)ccc2c1)[NH2+]C[C@@H](N)C1CC1 ZINC000414882030 944222000 /nfs/dbraw/zinc/22/20/00/944222000.db2.gz BJIYYFRKBLVDJS-KPZWWZAWSA-N 1 3 363.299 3.697 20 0 FHADHO Cc1ccc([C@@H](CNC(=O)CC[N@H+]2CCCC[C@H]2C)N2CCCC2)cc1 ZINC000550142807 944278214 /nfs/dbraw/zinc/27/82/14/944278214.db2.gz IUMAJDZYZUBIMM-TZIWHRDSSA-N 1 3 357.542 3.513 20 0 FHADHO Cc1ccc([C@@H](CNC(=O)CC[N@@H+]2CCCC[C@H]2C)N2CCCC2)cc1 ZINC000550142807 944278219 /nfs/dbraw/zinc/27/82/19/944278219.db2.gz IUMAJDZYZUBIMM-TZIWHRDSSA-N 1 3 357.542 3.513 20 0 FHADHO CC(C)N1CCN(C2CC[NH+]([C@@H]3CC[C@](C)(c4ccccc4)C3)CC2)CC1 ZINC000438108194 944346821 /nfs/dbraw/zinc/34/68/21/944346821.db2.gz XZRWKZXGROVBGO-RPWUZVMVSA-N 1 3 369.597 3.987 20 0 FHADHO C[C@H](C[NH2+][C@@H](C)c1cccc(OCc2cn3ccccc3n2)c1)CN(C)C ZINC000425951324 944363646 /nfs/dbraw/zinc/36/36/46/944363646.db2.gz MMFVNYMAGLXDJZ-MSOLQXFVSA-N 1 3 366.509 3.762 20 0 FHADHO CC(C)N1CCc2nc(C[NH2+][C@H]3CCCc4cc(N)ccc43)sc2C1 ZINC000414923699 944381082 /nfs/dbraw/zinc/38/10/82/944381082.db2.gz HTISBUMPLBGHNC-KRWDZBQOSA-N 1 3 356.539 3.659 20 0 FHADHO CC(C)N1CCc2nc(C[NH2+][C@@H]3CCCc4cc(N)ccc43)sc2C1 ZINC000414923701 944381378 /nfs/dbraw/zinc/38/13/78/944381378.db2.gz HTISBUMPLBGHNC-QGZVFWFLSA-N 1 3 356.539 3.659 20 0 FHADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(Cc2cnc(-c3ccsc3)s2)CC1 ZINC000518727229 944656821 /nfs/dbraw/zinc/65/68/21/944656821.db2.gz AQRIBAXHUIQWSN-IRXDYDNUSA-N 1 3 363.552 3.590 20 0 FHADHO CC[NH+](CC)CC1CCN(Cc2cc3c(cc2SC)OCCO3)CC1 ZINC000506861775 944691105 /nfs/dbraw/zinc/69/11/05/944691105.db2.gz NQPJOERBMIDFAC-UHFFFAOYSA-N 1 3 364.555 3.734 20 0 FHADHO Cc1cccc(N2CCN(CCCC[NH2+]Cc3cccc(F)c3F)CC2)c1 ZINC000518769550 944721227 /nfs/dbraw/zinc/72/12/27/944721227.db2.gz CKBRWHZNGUJMIJ-UHFFFAOYSA-N 1 3 373.491 3.965 20 0 FHADHO Cc1cccc(N2CC[NH+](CCCCNCc3cccc(F)c3F)CC2)c1 ZINC000518769550 944721233 /nfs/dbraw/zinc/72/12/33/944721233.db2.gz CKBRWHZNGUJMIJ-UHFFFAOYSA-N 1 3 373.491 3.965 20 0 FHADHO CCCN1CCN(c2ccccc2C[NH+]2CCC([C@H]3CCCO3)CC2)CC1 ZINC000439784254 944968857 /nfs/dbraw/zinc/96/88/57/944968857.db2.gz VYGGYVZSGQYWFT-HSZRJFAPSA-N 1 3 371.569 3.610 20 0 FHADHO C[C@H](COc1ccc2cc(Br)ccc2c1)[NH2+][C@H](C)[C@H](C)N ZINC000415004902 944991944 /nfs/dbraw/zinc/99/19/44/944991944.db2.gz AIPZWEUJFGXVLX-FRRDWIJNSA-N 1 3 351.288 3.695 20 0 FHADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)Cc3ccc4c[nH]nc4c3)C2)s1 ZINC000660496383 945041342 /nfs/dbraw/zinc/04/13/42/945041342.db2.gz GXFLMYNNCYLCBR-KRWDZBQOSA-N 1 3 354.523 3.887 20 0 FHADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)Cc3ccc4c[nH]nc4c3)C2)s1 ZINC000660496383 945041352 /nfs/dbraw/zinc/04/13/52/945041352.db2.gz GXFLMYNNCYLCBR-KRWDZBQOSA-N 1 3 354.523 3.887 20 0 FHADHO CCOc1cc2nccc(N3CC[C@@H](C[NH+]4CCCC4)C3)c2cc1OCC ZINC000549524625 945610253 /nfs/dbraw/zinc/61/02/53/945610253.db2.gz LREOGCHGQZSBQN-KRWDZBQOSA-N 1 3 369.509 3.954 20 0 FHADHO CC(C)N1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3C)[C@@H]1c1ccc(F)c(F)c1 ZINC000893416427 945684299 /nfs/dbraw/zinc/68/42/99/945684299.db2.gz IZHMLZBZKOACCQ-JNXWUCBASA-N 1 3 363.496 3.703 20 0 FHADHO Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[N@@H+]3C2C[C@H]3CC[C@@H](C2)N3CC2CC2)o1 ZINC001167987978 945694998 /nfs/dbraw/zinc/69/49/98/945694998.db2.gz OBVOZXSFJHBJLU-YMDLQSSNSA-N 1 3 369.553 3.642 20 0 FHADHO Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[N@H+]3C2C[C@H]3CC[C@@H](C2)N3CC2CC2)o1 ZINC001167987978 945695002 /nfs/dbraw/zinc/69/50/02/945695002.db2.gz OBVOZXSFJHBJLU-YMDLQSSNSA-N 1 3 369.553 3.642 20 0 FHADHO C[C@H](CC(=O)Nc1cccc(Cl)c1)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000120023964 945788244 /nfs/dbraw/zinc/78/82/44/945788244.db2.gz SLJRQDKNTZRHPB-CYBMUJFWSA-N 1 3 351.922 3.956 20 0 FHADHO CC(C)(C)OC(=O)NCCC(C)(C)[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167974303 945958471 /nfs/dbraw/zinc/95/84/71/945958471.db2.gz VEIRWBIJQSZZTD-AYHJJNSGSA-N 1 3 365.562 3.675 20 0 FHADHO CC(C)C(=O)NC1CCN([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168050982 945973359 /nfs/dbraw/zinc/97/33/59/945973359.db2.gz DZHLVHFHPYXJHO-HATOLVCRSA-N 1 3 371.569 3.665 20 0 FHADHO CC(C)C(=O)NC1CCN([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168050982 945973367 /nfs/dbraw/zinc/97/33/67/945973367.db2.gz DZHLVHFHPYXJHO-HATOLVCRSA-N 1 3 371.569 3.665 20 0 FHADHO CCCN1CCC[C@H]1C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000522893115 946073402 /nfs/dbraw/zinc/07/34/02/946073402.db2.gz HWVYHOMZMOPUGE-RXVVDRJESA-N 1 3 357.542 3.552 20 0 FHADHO CCCN1CCC[C@H]1C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000522893115 946073416 /nfs/dbraw/zinc/07/34/16/946073416.db2.gz HWVYHOMZMOPUGE-RXVVDRJESA-N 1 3 357.542 3.552 20 0 FHADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C[C@H]2NCc3ccccc32)CC1 ZINC000662825200 946075298 /nfs/dbraw/zinc/07/52/98/946075298.db2.gz FJCBFQKSRBRKSG-XMSQKQJNSA-N 1 3 369.553 3.724 20 0 FHADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)C[C@H]2NCc3ccccc32)CC1 ZINC000662825200 946075308 /nfs/dbraw/zinc/07/53/08/946075308.db2.gz FJCBFQKSRBRKSG-XMSQKQJNSA-N 1 3 369.553 3.724 20 0 FHADHO CC1CCN([C@H](CNC(=O)CCCCCC[NH3+])c2cccs2)CC1 ZINC000236726404 946221374 /nfs/dbraw/zinc/22/13/74/946221374.db2.gz UCBZUWXWQHEAON-QGZVFWFLSA-N 1 3 351.560 3.547 20 0 FHADHO C[C@H]([NH2+]C(C)(C)CNC(=O)Nc1cccc(CN(C)C)c1)c1ccccc1 ZINC000103174139 946229970 /nfs/dbraw/zinc/22/99/70/946229970.db2.gz WTIVINZJADGCJQ-KRWDZBQOSA-N 1 3 368.525 3.999 20 0 FHADHO C[C@@H]1CC(N2CC[C@@H](Oc3cccnc3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168056012 946320871 /nfs/dbraw/zinc/32/08/71/946320871.db2.gz ZWTQOSCBSVSWOA-DNVFCKCGSA-N 1 3 365.521 3.976 20 0 FHADHO CCC[NH+]1CCN(c2ccccc2CN(C)Cc2ccc(O)cc2)CC1 ZINC000520289247 946354206 /nfs/dbraw/zinc/35/42/06/946354206.db2.gz BAXCQUDPHVESCM-UHFFFAOYSA-N 1 3 353.510 3.556 20 0 FHADHO Cc1ccccc1-c1cccc(C[NH2+]CCN2CCN(C)C(C)(C)C2)c1 ZINC000441330261 946461105 /nfs/dbraw/zinc/46/11/05/946461105.db2.gz LKDWAHXSQNREBK-UHFFFAOYSA-N 1 3 351.538 3.778 20 0 FHADHO CC[C@@H](NCC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1cccc(Cl)c1 ZINC000475132642 946468279 /nfs/dbraw/zinc/46/82/79/946468279.db2.gz AQFUZMQOZBPUHM-WOJBJXKFSA-N 1 3 373.928 3.800 20 0 FHADHO Cc1c(F)cccc1-c1ccc(C[NH2+]CCN2CCN(C)C(C)(C)C2)o1 ZINC000441350160 946503133 /nfs/dbraw/zinc/50/31/33/946503133.db2.gz QKBTUFPTNWDHIE-UHFFFAOYSA-N 1 3 359.489 3.510 20 0 FHADHO C[C@H](OC[C@@H](O)C[N@H+](C)CC[C@@H]1CCCCN1C)c1ccc(Cl)cc1 ZINC000441363694 946510231 /nfs/dbraw/zinc/51/02/31/946510231.db2.gz KBPDXUVWWCEBHP-VDGAXYAQSA-N 1 3 368.949 3.585 20 0 FHADHO C[C@H](OC[C@@H](O)C[N@@H+](C)CC[C@@H]1CCCCN1C)c1ccc(Cl)cc1 ZINC000441363694 946510238 /nfs/dbraw/zinc/51/02/38/946510238.db2.gz KBPDXUVWWCEBHP-VDGAXYAQSA-N 1 3 368.949 3.585 20 0 FHADHO CC[N@H+](CCCNC1CCC(O)(C(F)(F)F)CC1)C1CCCCC1 ZINC000652236929 946514896 /nfs/dbraw/zinc/51/48/96/946514896.db2.gz CYOXVUHJCVHLCL-UHFFFAOYSA-N 1 3 350.469 3.857 20 0 FHADHO CC[N@@H+](CCCNC1CCC(O)(C(F)(F)F)CC1)C1CCCCC1 ZINC000652236929 946514907 /nfs/dbraw/zinc/51/49/07/946514907.db2.gz CYOXVUHJCVHLCL-UHFFFAOYSA-N 1 3 350.469 3.857 20 0 FHADHO CC[C@@H](NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccccc1 ZINC000112545897 946656409 /nfs/dbraw/zinc/65/64/09/946656409.db2.gz OBNMWGTVDLGRPQ-FCHUYYIVSA-N 1 3 365.521 3.625 20 0 FHADHO CC[C@@H](NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccccc1 ZINC000112545897 946656419 /nfs/dbraw/zinc/65/64/19/946656419.db2.gz OBNMWGTVDLGRPQ-FCHUYYIVSA-N 1 3 365.521 3.625 20 0 FHADHO C[C@H]([NH2+][C@H]1CCCc2occc21)c1cc(F)ccc1N1CCN(C)CC1 ZINC000192831554 946699997 /nfs/dbraw/zinc/69/99/97/946699997.db2.gz PPCAQZYFTUPYMR-KXBFYZLASA-N 1 3 357.473 3.899 20 0 FHADHO N=C(N)N(c1ccc(F)cc1)c1ccc2c(c1)ncn2[C@@H]1CCC[NH2+]CC1 ZINC001167991040 946709753 /nfs/dbraw/zinc/70/97/53/946709753.db2.gz FFWQONRYUPQLMB-OAHLLOKOSA-N 1 3 366.444 3.522 20 0 FHADHO Cc1cc(C[NH+](C)C)ccc1NC(=O)C(C[C@@H]1CCCO1)C(F)(F)F ZINC000909598661 946740363 /nfs/dbraw/zinc/74/03/63/946740363.db2.gz CPTGSSRXMDIGDE-LSDHHAIUSA-N 1 3 358.404 3.743 20 0 FHADHO Cc1cc(C[NH+](C)C)ccc1NC(=O)C(C[C@H]1CCCO1)C(F)(F)F ZINC000909598656 946740947 /nfs/dbraw/zinc/74/09/47/946740947.db2.gz CPTGSSRXMDIGDE-HUUCEWRRSA-N 1 3 358.404 3.743 20 0 FHADHO CC(C)N(C)c1ccc(C[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000475224251 946746855 /nfs/dbraw/zinc/74/68/55/946746855.db2.gz MWDXNQXPFJEGCU-OAQYLSRUSA-N 1 3 352.526 3.538 20 0 FHADHO Clc1ccc2ncc(C[NH2+]C[C@@H]3CCN(Cc4ccccc4)C3)n2c1 ZINC000475280314 946801311 /nfs/dbraw/zinc/80/13/11/946801311.db2.gz PUFWVILDMZQNFB-KRWDZBQOSA-N 1 3 354.885 3.599 20 0 FHADHO CCN1CCN(c2ccccc2C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)CC1 ZINC000475284925 946823595 /nfs/dbraw/zinc/82/35/95/946823595.db2.gz KTMSXHYHCJRXAK-NVXWUHKLSA-N 1 3 355.448 3.601 20 0 FHADHO CCN1CCN(c2ccccc2C[N@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)CC1 ZINC000475284925 946823605 /nfs/dbraw/zinc/82/36/05/946823605.db2.gz KTMSXHYHCJRXAK-NVXWUHKLSA-N 1 3 355.448 3.601 20 0 FHADHO C[C@H]([NH2+]CCCCCCC[NH+]1CCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000824585330 946835049 /nfs/dbraw/zinc/83/50/49/946835049.db2.gz PXJRKTNFKJSXEA-KRWDZBQOSA-N 1 3 356.518 3.564 20 0 FHADHO C[C@H]([NH2+]CCCCCCC[NH+]1CCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824585330 946835062 /nfs/dbraw/zinc/83/50/62/946835062.db2.gz PXJRKTNFKJSXEA-KRWDZBQOSA-N 1 3 356.518 3.564 20 0 FHADHO C[C@H](c1ncc(-c2ccccc2)o1)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652349622 946890887 /nfs/dbraw/zinc/89/08/87/946890887.db2.gz VWEGSEIOUWECAQ-QXCFHYIPSA-N 1 3 355.482 3.621 20 0 FHADHO Fc1cc([C@@H]2OCC[C@H]2[NH2+]C2CCN(CC3CC3)CC2)ccc1Cl ZINC000631654628 947046832 /nfs/dbraw/zinc/04/68/32/947046832.db2.gz DKRMYDWONAVKOG-MOPGFXCFSA-N 1 3 352.881 3.773 20 0 FHADHO Brc1sccc1CNC1CCN(c2cc[nH+]cc2)CC1 ZINC000388568914 947258280 /nfs/dbraw/zinc/25/82/80/947258280.db2.gz YFNBYUBPURWIAX-UHFFFAOYSA-N 1 3 352.301 3.664 20 0 FHADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@H](C)c2ncc(C)s2)CC1 ZINC000544617568 947270750 /nfs/dbraw/zinc/27/07/50/947270750.db2.gz SMANJINXZRJXEM-QGZVFWFLSA-N 1 3 372.582 3.877 20 0 FHADHO CC(C)N1CCCC[C@@H]1C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000252198993 947356073 /nfs/dbraw/zinc/35/60/73/947356073.db2.gz SWIPYEFOGIEWFS-DENIHFKCSA-N 1 3 371.569 3.940 20 0 FHADHO CC(C)N1CCCC[C@@H]1C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000252198993 947356084 /nfs/dbraw/zinc/35/60/84/947356084.db2.gz SWIPYEFOGIEWFS-DENIHFKCSA-N 1 3 371.569 3.940 20 0 FHADHO C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000520451874 947504711 /nfs/dbraw/zinc/50/47/11/947504711.db2.gz ALWHVJICXIHSRB-XOKHGSTOSA-N 1 3 371.447 3.885 20 0 FHADHO C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000520451874 947504716 /nfs/dbraw/zinc/50/47/16/947504716.db2.gz ALWHVJICXIHSRB-XOKHGSTOSA-N 1 3 371.447 3.885 20 0 FHADHO C[C@@H]1CCCN(CC(=O)N[C@@H](c2cccs2)C(C)(C)C)[C@@H]1CCC[NH3+] ZINC000662313248 947738684 /nfs/dbraw/zinc/73/86/84/947738684.db2.gz HVBHRCQEHJHSNZ-MDZRGWNJSA-N 1 3 365.587 3.791 20 0 FHADHO O=C(NCc1ccccc1C[NH+]1CCCCCC1)c1cccc2c1CNC2 ZINC000662460413 947831029 /nfs/dbraw/zinc/83/10/29/947831029.db2.gz ISHDSXSHROFSNJ-UHFFFAOYSA-N 1 3 363.505 3.596 20 0 FHADHO Cc1ccc(NC(=O)C[C@H](C)NC[C@@H]2CCC[N@H+](CC3CC3)C2)c(C)c1 ZINC000663466778 948058319 /nfs/dbraw/zinc/05/83/19/948058319.db2.gz ACFHXXORCUQQTB-ICSRJNTNSA-N 1 3 357.542 3.732 20 0 FHADHO Cc1ccc(NC(=O)C[C@H](C)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)c(C)c1 ZINC000663466778 948058331 /nfs/dbraw/zinc/05/83/31/948058331.db2.gz ACFHXXORCUQQTB-ICSRJNTNSA-N 1 3 357.542 3.732 20 0 FHADHO Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCCN(CC3CC3)C2)c(C)c1 ZINC000663466778 948058340 /nfs/dbraw/zinc/05/83/40/948058340.db2.gz ACFHXXORCUQQTB-ICSRJNTNSA-N 1 3 357.542 3.732 20 0 FHADHO CC[NH+](CC)CCC[C@@H](C)N1CCO[C@@]2(CCCN(c3ccccc3)C2)C1 ZINC001167821585 948080148 /nfs/dbraw/zinc/08/01/48/948080148.db2.gz DWCPVVOIBQMVEK-GGAORHGYSA-N 1 3 373.585 3.868 20 0 FHADHO C[C@H]1CN(CCC[NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)CCCO1 ZINC000432352168 948198157 /nfs/dbraw/zinc/19/81/57/948198157.db2.gz WDMRJAZZXOXDBY-ZDUSSCGKSA-N 1 3 364.839 3.949 20 0 FHADHO C[C@@H]1C[C@@H](CCNCc2ncc(CN(C)C)s2)C[N@@H+]1Cc1ccccc1 ZINC000512045626 948297066 /nfs/dbraw/zinc/29/70/66/948297066.db2.gz NUMPEZXBHRXQRQ-IEBWSBKVSA-N 1 3 372.582 3.595 20 0 FHADHO C[C@@H]1C[C@@H](CCNCc2ncc(CN(C)C)s2)C[N@H+]1Cc1ccccc1 ZINC000512045626 948297075 /nfs/dbraw/zinc/29/70/75/948297075.db2.gz NUMPEZXBHRXQRQ-IEBWSBKVSA-N 1 3 372.582 3.595 20 0 FHADHO CCN(CC)C(=O)Nc1ccc([C@H](C)NC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000152367457 948386835 /nfs/dbraw/zinc/38/68/35/948386835.db2.gz WLXXRQMITUKXHR-DLBZAZTESA-N 1 3 358.530 3.695 20 0 FHADHO CCN(CC)C(=O)Nc1ccc([C@H](C)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000152367457 948386830 /nfs/dbraw/zinc/38/68/30/948386830.db2.gz WLXXRQMITUKXHR-DLBZAZTESA-N 1 3 358.530 3.695 20 0 FHADHO Cc1c([C@@H](C)[NH2+]C[C@@H]2CCN(C3CC3)C2)cnn1-c1cc(C)ccc1C ZINC000152374751 948422589 /nfs/dbraw/zinc/42/25/89/948422589.db2.gz YRFSCSKDHLRIMY-MJGOQNOKSA-N 1 3 352.526 3.932 20 0 FHADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(OC(F)(F)F)cc2)C[C@H](C)O1 ZINC000067452849 948791638 /nfs/dbraw/zinc/79/16/38/948791638.db2.gz UGXJZZPHBBIXED-GASCZTMLSA-N 1 3 360.420 3.564 20 0 FHADHO C[C@@H]1CN(CCCC[NH2+]Cc2cc(Br)ccc2F)C[C@@H](C)O1 ZINC000067453143 948795658 /nfs/dbraw/zinc/79/56/58/948795658.db2.gz VRIPEOWWORJUEM-ZIAGYGMSSA-N 1 3 373.310 3.567 20 0 FHADHO CN(c1ccccc1CN1CCC[C@@H](OCC2CC2)C1)C1CC[NH+](C)CC1 ZINC000428402884 948812377 /nfs/dbraw/zinc/81/23/77/948812377.db2.gz PNPQABJUGBGJSC-JOCHJYFZSA-N 1 3 371.569 3.608 20 0 FHADHO CCC(CC)(CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(OC)c(OC)c1 ZINC000461104494 567963801 /nfs/dbraw/zinc/96/38/01/567963801.db2.gz XCRUKAUTFWWNRA-MOPGFXCFSA-N 1 3 360.542 3.978 20 0 FHADHO CCC(CC)(CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(OC)c(OC)c1 ZINC000461104494 567963802 /nfs/dbraw/zinc/96/38/02/567963802.db2.gz XCRUKAUTFWWNRA-MOPGFXCFSA-N 1 3 360.542 3.978 20 0 FHADHO C[C@]12CCN(Cc3ccc(OCC[NH+]4CCCC4)cc3)C[C@H]1C2(F)F ZINC000644835201 568010117 /nfs/dbraw/zinc/01/01/17/568010117.db2.gz XGDGVGIIEQLLON-MOPGFXCFSA-N 1 3 350.453 3.638 20 0 FHADHO COc1ccc(-c2nc(CN3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cs2)cc1 ZINC000563135879 568274423 /nfs/dbraw/zinc/27/44/23/568274423.db2.gz VLNCUCRQCLVIJF-SJORKVTESA-N 1 3 357.523 3.640 20 0 FHADHO CC1(C)CN(Cc2ccccc2C[N@@H+]2CCCOC(C)(C)C2)CCCO1 ZINC000604999108 568512503 /nfs/dbraw/zinc/51/25/03/568512503.db2.gz NCUSLOOOXBMKRC-UHFFFAOYSA-N 1 3 360.542 3.688 20 0 FHADHO CC1(C)CN(Cc2ccccc2C[N@H+]2CCCOC(C)(C)C2)CCCO1 ZINC000604999108 568512505 /nfs/dbraw/zinc/51/25/05/568512505.db2.gz NCUSLOOOXBMKRC-UHFFFAOYSA-N 1 3 360.542 3.688 20 0 FHADHO [NH3+]C[C@@H]1CN(Cc2ccc(Oc3cccc(F)c3)cc2)CC12CCOCC2 ZINC000583025056 936376593 /nfs/dbraw/zinc/37/65/93/936376593.db2.gz OVPJOZHHHIFQJP-GOSISDBHSA-N 1 3 370.468 3.805 20 0 FHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cc4[nH]ccc4cc3C)CC2)CC1 ZINC000655016624 927855368 /nfs/dbraw/zinc/85/53/68/927855368.db2.gz ZFRUGRGDTQARHI-UHFFFAOYSA-N 1 3 368.525 3.611 20 0 FHADHO CC[NH+]1CCC(N2CCC(C(=O)NC(C)(C)c3ccccc3C)CC2)CC1 ZINC000655112800 928160657 /nfs/dbraw/zinc/16/06/57/928160657.db2.gz KCGZCGOFRNSXLL-UHFFFAOYSA-N 1 3 371.569 3.543 20 0 FHADHO CCN1CCN([C@@H](C)C[NH2+][C@H](c2ccccc2)c2ccc(C)cc2)CC1 ZINC000180119246 929380085 /nfs/dbraw/zinc/38/00/85/929380085.db2.gz UDJSIRIIMLTSRF-NZQKXSOJSA-N 1 3 351.538 3.700 20 0 FHADHO COCC[NH+]1CCC(N[C@H](C)c2ccc(SC(F)F)c(OC)c2)CC1 ZINC000154880295 929446160 /nfs/dbraw/zinc/44/61/60/929446160.db2.gz FEWUDMXMQOFUOF-CYBMUJFWSA-N 1 3 374.497 3.771 20 0 FHADHO C[NH+](C)C1CCN(CCNC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000180711937 929625150 /nfs/dbraw/zinc/62/51/50/929625150.db2.gz IRRJCKHLVURKNQ-UHFFFAOYSA-N 1 3 373.491 3.670 20 0 FHADHO COc1cc(CN(C)Cc2ccc(OCC[NH+](C)C)cc2)ccc1SC ZINC000092674254 937379651 /nfs/dbraw/zinc/37/96/51/937379651.db2.gz UMANSMFJMLATPK-UHFFFAOYSA-N 1 3 374.550 3.990 20 0 FHADHO C[C@H]([NH3+])c1ccc(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)cc1 ZINC000580067798 930208716 /nfs/dbraw/zinc/20/87/16/930208716.db2.gz JSDUGHRBYKQORC-QFBILLFUSA-N 1 3 371.550 3.971 20 0 FHADHO Cc1ccc(NC(=O)[C@H](NC[C@H]2C[C@@H]([NH+](C)C)C2)c2ccccc2)cc1 ZINC000656127313 930303614 /nfs/dbraw/zinc/30/36/14/930303614.db2.gz XXAAZUZEEVTVDG-JRGCBEDISA-N 1 3 351.494 3.605 20 0 FHADHO COC[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cccc(Cl)c1 ZINC000581362702 931898129 /nfs/dbraw/zinc/89/81/29/931898129.db2.gz BRCSEOMRTWUDOU-MDZRGWNJSA-N 1 3 354.922 3.507 20 0 FHADHO CCCN1CCC([N@H+](C)Cc2ccc(OCc3cccnc3)cc2)CC1 ZINC000510421288 932012356 /nfs/dbraw/zinc/01/23/56/932012356.db2.gz JWQZGLKCWOMQFK-UHFFFAOYSA-N 1 3 353.510 3.967 20 0 FHADHO CCCN1CCC([N@@H+](C)Cc2ccc(OCc3cccnc3)cc2)CC1 ZINC000510421288 932012365 /nfs/dbraw/zinc/01/23/65/932012365.db2.gz JWQZGLKCWOMQFK-UHFFFAOYSA-N 1 3 353.510 3.967 20 0 FHADHO CC(C)N1CC[C@H](C[NH2+][C@@H](C)Cc2ccc(F)cc2Br)C1 ZINC000581689568 932507321 /nfs/dbraw/zinc/50/73/21/932507321.db2.gz XMKORRXDFPTDBN-UONOGXRCSA-N 1 3 357.311 3.839 20 0 FHADHO C[C@H](CCc1c(F)cccc1F)[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000510674980 933397839 /nfs/dbraw/zinc/39/78/39/933397839.db2.gz LMGSLRXVWKAVTQ-BRWVUGGUSA-N 1 3 354.485 3.765 20 0 FHADHO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CN1CCC2(CC[NH2+]C2)CC1 ZINC000430913204 933398225 /nfs/dbraw/zinc/39/82/25/933398225.db2.gz SNFSFBSQVXKWRC-UHFFFAOYSA-N 1 3 372.944 3.777 20 0 FHADHO C[C@@H]([NH3+])C1CCN([C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000430924036 933421471 /nfs/dbraw/zinc/42/14/71/933421471.db2.gz HOMAWKLVYNIDPZ-AGIUHOORSA-N 1 3 372.340 3.618 20 0 FHADHO CC(C)CN1CCC[C@H](C[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000092567694 934089882 /nfs/dbraw/zinc/08/98/82/934089882.db2.gz SSUZVNFLVFOFPV-LMDPOFIKSA-N 1 3 352.563 3.845 20 0 FHADHO CC[C@@H]([NH2+]C[C@H]1CCN(CC)C1)c1ccc(I)cc1 ZINC000610799770 934426292 /nfs/dbraw/zinc/42/62/92/934426292.db2.gz QCTKCWSUHCNFKE-CZUORRHYSA-N 1 3 372.294 3.674 20 0 FHADHO CC[C@@H](NC[C@H]1CC[N@H+](CC)C1)c1ccc(I)cc1 ZINC000610799770 934426294 /nfs/dbraw/zinc/42/62/94/934426294.db2.gz QCTKCWSUHCNFKE-CZUORRHYSA-N 1 3 372.294 3.674 20 0 FHADHO CC[C@@H](NC[C@H]1CC[N@@H+](CC)C1)c1ccc(I)cc1 ZINC000610799770 934426295 /nfs/dbraw/zinc/42/62/95/934426295.db2.gz QCTKCWSUHCNFKE-CZUORRHYSA-N 1 3 372.294 3.674 20 0 FHADHO Cc1ccsc1CNCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000102781518 934892537 /nfs/dbraw/zinc/89/25/37/934892537.db2.gz PSRGRLHXJCYOAM-UHFFFAOYSA-N 1 3 374.550 3.836 20 0 FHADHO Cc1ccsc1CNCc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000102781518 934892541 /nfs/dbraw/zinc/89/25/41/934892541.db2.gz PSRGRLHXJCYOAM-UHFFFAOYSA-N 1 3 374.550 3.836 20 0 FHADHO CC(C)CC(=O)Nc1cccc(C[NH2+]Cc2ccnn2-c2ccncc2)c1 ZINC000657330797 935241108 /nfs/dbraw/zinc/24/11/08/935241108.db2.gz ACMRIFWOQJQMOJ-UHFFFAOYSA-N 1 3 363.465 3.542 20 0 FHADHO CC(C)CC(=O)Nc1cccc(CNCc2ccnn2-c2cc[nH+]cc2)c1 ZINC000657330797 935241112 /nfs/dbraw/zinc/24/11/12/935241112.db2.gz ACMRIFWOQJQMOJ-UHFFFAOYSA-N 1 3 363.465 3.542 20 0 FHADHO C[C@@H]1CSCCCN1Cc1cncc(C[N@@H+]2CCCSC[C@H]2C)c1 ZINC000934297139 935286835 /nfs/dbraw/zinc/28/68/35/935286835.db2.gz AKFSMFMTYBKUDZ-IAGOWNOFSA-N 1 3 365.612 3.736 20 0 FHADHO C[C@@H]1CSCCCN1Cc1cncc(C[N@H+]2CCCSC[C@H]2C)c1 ZINC000934297139 935286838 /nfs/dbraw/zinc/28/68/38/935286838.db2.gz AKFSMFMTYBKUDZ-IAGOWNOFSA-N 1 3 365.612 3.736 20 0 FHADHO CC(C)n1ccnc1CNCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000657386754 935494803 /nfs/dbraw/zinc/49/48/03/935494803.db2.gz LTXYWZARJBVQMF-UHFFFAOYSA-N 1 3 370.541 3.625 20 0 FHADHO O[C@@H]1CCC[C@H]1N1CCC([NH2+]Cc2ccc(-c3cccs3)cc2)CC1 ZINC000657399450 935562183 /nfs/dbraw/zinc/56/21/83/935562183.db2.gz JBBFYAPMDBXRTA-WOJBJXKFSA-N 1 3 356.535 3.883 20 0 FHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H](c1ccccc1Cl)N1CCCC1 ZINC000582414395 935670854 /nfs/dbraw/zinc/67/08/54/935670854.db2.gz GQMIQXUEYMJIOS-QVKFZJNVSA-N 1 3 372.944 3.990 20 0 FHADHO COCc1csc(CNCc2ccc(OC3CC[NH+](C)CC3)cc2)c1 ZINC000657459878 935817691 /nfs/dbraw/zinc/81/76/91/935817691.db2.gz JWBZANISNFXMHC-UHFFFAOYSA-N 1 3 360.523 3.657 20 0 FHADHO O[C@@H]1CC[N@H+](Cc2ccc(CNCc3cccc(C(F)(F)F)c3)cc2)C1 ZINC000657594294 936074005 /nfs/dbraw/zinc/07/40/05/936074005.db2.gz IDTAIWDEPVGNQE-LJQANCHMSA-N 1 3 364.411 3.562 20 0 FHADHO O[C@@H]1CC[N@@H+](Cc2ccc(CNCc3cccc(C(F)(F)F)c3)cc2)C1 ZINC000657594294 936074010 /nfs/dbraw/zinc/07/40/10/936074010.db2.gz IDTAIWDEPVGNQE-LJQANCHMSA-N 1 3 364.411 3.562 20 0 FHADHO CCOc1ccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)c(C)c1 ZINC000657613888 936100586 /nfs/dbraw/zinc/10/05/86/936100586.db2.gz VUSKQZCWZIADGI-UHFFFAOYSA-N 1 3 353.510 3.791 20 0 FHADHO Cc1ccc(-c2ccc(CN3CCC(C[NH+]4CCN(C)CC4)CC3)o2)cc1 ZINC000582873247 936243486 /nfs/dbraw/zinc/24/34/86/936243486.db2.gz OWSVAVJJYHZOKW-UHFFFAOYSA-N 1 3 367.537 3.714 20 0 FHADHO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)NC[C@H](C)C[NH+]1CCCC1 ZINC000120935306 936272644 /nfs/dbraw/zinc/27/26/44/936272644.db2.gz PCTBTDFVLMCGHK-LSDHHAIUSA-N 1 3 371.447 3.744 20 0 FHADHO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@H](C)CN1CCCC1 ZINC000120935306 936272649 /nfs/dbraw/zinc/27/26/49/936272649.db2.gz PCTBTDFVLMCGHK-LSDHHAIUSA-N 1 3 371.447 3.744 20 0 FHADHO CCC[NH+]1CCN(c2ccccc2CN2CC(C)(C)[C@H]2[C@@H]2CCCO2)CC1 ZINC000583472443 938269328 /nfs/dbraw/zinc/26/93/28/938269328.db2.gz IRXZFFLOSQLRSE-FCHUYYIVSA-N 1 3 371.569 3.608 20 0 FHADHO CC(C)C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccncc1 ZINC000647299425 938307975 /nfs/dbraw/zinc/30/79/75/938307975.db2.gz GJIZDGCCBSMKTC-GOTSBHOMSA-N 1 3 367.537 3.915 20 0 FHADHO CC(C)C[C@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccncc1 ZINC000647299425 938307977 /nfs/dbraw/zinc/30/79/77/938307977.db2.gz GJIZDGCCBSMKTC-GOTSBHOMSA-N 1 3 367.537 3.915 20 0 FHADHO C[C@@H]1CSc2ccc(Br)cc2[C@H]1NC1CC[NH+](C)CC1 ZINC000151125326 938385584 /nfs/dbraw/zinc/38/55/84/938385584.db2.gz SBWYCBMVTJZNHY-BZNIZROVSA-N 1 3 355.345 3.916 20 0 FHADHO CN(C)Cc1ccccc1NC(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000583908965 938481778 /nfs/dbraw/zinc/48/17/78/938481778.db2.gz XTVJPPMWXGCHRM-HUUCEWRRSA-N 1 3 371.447 3.596 20 0 FHADHO CN(C)Cc1ccccc1NC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000583908965 938481780 /nfs/dbraw/zinc/48/17/80/938481780.db2.gz XTVJPPMWXGCHRM-HUUCEWRRSA-N 1 3 371.447 3.596 20 0 FHADHO Fc1cccc(CNCC2CC[NH+](CC3CC3)CC2)c1Br ZINC000657815853 938531860 /nfs/dbraw/zinc/53/18/60/938531860.db2.gz QPTOFISNQZAMIT-UHFFFAOYSA-N 1 3 355.295 3.800 20 0 FHADHO C[C@H](NCC1CC[NH+](C2CC2)CC1)c1cc(Br)ncc1F ZINC000278566997 938538233 /nfs/dbraw/zinc/53/82/33/938538233.db2.gz XBZQQQDFEXWCPR-NSHDSACASA-N 1 3 356.283 3.508 20 0 FHADHO OCc1ccc(CN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000647322409 938600131 /nfs/dbraw/zinc/60/01/31/938600131.db2.gz UQQQRJWODSKZNO-RJGXRXQPSA-N 1 3 350.506 3.569 20 0 FHADHO OCc1ccc(CN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000647322409 938600132 /nfs/dbraw/zinc/60/01/32/938600132.db2.gz UQQQRJWODSKZNO-RJGXRXQPSA-N 1 3 350.506 3.569 20 0 FHADHO CCc1ncc(C[NH2+]CCCCN2CCN(c3cccc(C)c3)CC2)s1 ZINC000084013756 938817646 /nfs/dbraw/zinc/81/76/46/938817646.db2.gz PIXJWNMQKBARTI-UHFFFAOYSA-N 1 3 372.582 3.706 20 0 FHADHO C[C@@H](NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc2ccncc2s1 ZINC000657885720 938971219 /nfs/dbraw/zinc/97/12/19/938971219.db2.gz GZXYXOFSQFQMSE-IIBYNOLFSA-N 1 3 367.518 3.584 20 0 FHADHO C[C@@H](NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cc2ccncc2s1 ZINC000657885720 938971220 /nfs/dbraw/zinc/97/12/20/938971220.db2.gz GZXYXOFSQFQMSE-IIBYNOLFSA-N 1 3 367.518 3.584 20 0 FHADHO C[C@H](NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1ccc(-n2cccn2)cc1 ZINC000647344799 938979162 /nfs/dbraw/zinc/97/91/62/938979162.db2.gz ZMSUDVKJAWAFPE-ZEYPLWLESA-N 1 3 360.505 3.868 20 0 FHADHO C[C@H](NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1ccc(-n2cccn2)cc1 ZINC000647344799 938979164 /nfs/dbraw/zinc/97/91/64/938979164.db2.gz ZMSUDVKJAWAFPE-ZEYPLWLESA-N 1 3 360.505 3.868 20 0 FHADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC000657890945 938990179 /nfs/dbraw/zinc/99/01/79/938990179.db2.gz XTFSAKHTMBIIKE-MOPGFXCFSA-N 1 3 368.521 3.934 20 0 FHADHO COC[C@@H](CC1CCOCC1)[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000658019640 939018986 /nfs/dbraw/zinc/01/89/86/939018986.db2.gz UAADBRZXUIOVBU-XZOQPEGZSA-N 1 3 374.569 3.710 20 0 FHADHO COc1ccc([C@@H](C)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1Cl ZINC000658143561 939036707 /nfs/dbraw/zinc/03/67/07/939036707.db2.gz ZIHJFUMDWVEVHB-DNVCBOLYSA-N 1 3 374.912 3.766 20 0 FHADHO COc1ccc([C@@H](C)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1Cl ZINC000658143561 939036709 /nfs/dbraw/zinc/03/67/09/939036709.db2.gz ZIHJFUMDWVEVHB-DNVCBOLYSA-N 1 3 374.912 3.766 20 0 FHADHO COc1ccc([C@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)c(C)c1 ZINC000658162228 939051926 /nfs/dbraw/zinc/05/19/26/939051926.db2.gz CRJFYTLSPAHEOV-SFHVURJKSA-N 1 3 353.510 3.961 20 0 FHADHO COc1ccc(OC)c([C@@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)c1 ZINC000658164357 939053195 /nfs/dbraw/zinc/05/31/95/939053195.db2.gz CRVDATYGWBMDME-QGZVFWFLSA-N 1 3 369.509 3.662 20 0 FHADHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccc(C(F)F)nc1 ZINC000658165591 939053240 /nfs/dbraw/zinc/05/32/40/939053240.db2.gz SADVVBGFTVXLQE-OAHLLOKOSA-N 1 3 360.452 3.977 20 0 FHADHO COc1ncc([C@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1Cl ZINC000658166087 939053277 /nfs/dbraw/zinc/05/32/77/939053277.db2.gz MHTZFDPQJRRBEP-HNNXBMFYSA-N 1 3 374.916 3.701 20 0 FHADHO CCc1nc2c(s1)[C@@H]([NH2+]CC1CCN(Cc3ccncc3)CC1)CCC2 ZINC000658168003 939054128 /nfs/dbraw/zinc/05/41/28/939054128.db2.gz UZAXUPDVVCOUCT-SFHVURJKSA-N 1 3 370.566 3.980 20 0 FHADHO CC(=O)Nc1ccc([C@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1 ZINC000658166235 939054464 /nfs/dbraw/zinc/05/44/64/939054464.db2.gz NFSDYZMLMFITQG-KRWDZBQOSA-N 1 3 366.509 3.603 20 0 FHADHO CCC[NH+]1CCN(c2ccccc2CN2CCC(C(F)(F)F)CC2)CC1 ZINC000506439140 945227278 /nfs/dbraw/zinc/22/72/78/945227278.db2.gz MRGNRZWJFKHJQL-UHFFFAOYSA-N 1 3 369.475 3.993 20 0 FHADHO CCn1cc([C@@H](C)[NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCC3)cn1 ZINC000658319421 939111627 /nfs/dbraw/zinc/11/16/27/939111627.db2.gz AMWIAQGYTZQBQP-WIYYLYMNSA-N 1 3 352.526 3.856 20 0 FHADHO C[C@H](c1ccccc1)[C@@H](O)CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000658338592 939117120 /nfs/dbraw/zinc/11/71/20/939117120.db2.gz FQIWGUBGVYPRPK-KCDSLRJUSA-N 1 3 364.533 3.936 20 0 FHADHO C[C@H](c1ccccc1)[C@@H](O)CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000658338592 939117123 /nfs/dbraw/zinc/11/71/23/939117123.db2.gz FQIWGUBGVYPRPK-KCDSLRJUSA-N 1 3 364.533 3.936 20 0 FHADHO CCCC[N@H+](C)CC1CCN([C@H](C)C(=O)N2CCCC[C@H]2CC)CC1 ZINC000519225169 945231310 /nfs/dbraw/zinc/23/13/10/945231310.db2.gz WULDRDIGNRKCMV-UYAOXDASSA-N 1 3 351.579 3.610 20 0 FHADHO CCCC[N@@H+](C)CC1CCN([C@H](C)C(=O)N2CCCC[C@H]2CC)CC1 ZINC000519225169 945231317 /nfs/dbraw/zinc/23/13/17/945231317.db2.gz WULDRDIGNRKCMV-UYAOXDASSA-N 1 3 351.579 3.610 20 0 FHADHO CC(C)[N@H+](C)Cc1cccc(CNCc2cn(C)nc2-c2cccnc2)c1 ZINC000065976470 940134266 /nfs/dbraw/zinc/13/42/66/940134266.db2.gz FKEOCOVJWAHBNQ-UHFFFAOYSA-N 1 3 363.509 3.612 20 0 FHADHO CC(C)[N@@H+](C)Cc1cccc(CNCc2cn(C)nc2-c2cccnc2)c1 ZINC000065976470 940134267 /nfs/dbraw/zinc/13/42/67/940134267.db2.gz FKEOCOVJWAHBNQ-UHFFFAOYSA-N 1 3 363.509 3.612 20 0 FHADHO COc1ccc([C@H](C)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c(C)c1 ZINC000414127745 940638125 /nfs/dbraw/zinc/63/81/25/940638125.db2.gz SOTRRJMLZDJPRN-GREBRCKQSA-N 1 3 368.521 3.537 20 0 FHADHO COc1ccc([C@H](C)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)c(C)c1 ZINC000414127745 940638126 /nfs/dbraw/zinc/63/81/26/940638126.db2.gz SOTRRJMLZDJPRN-GREBRCKQSA-N 1 3 368.521 3.537 20 0 FHADHO CC(C)N1CCC([NH2+][C@H](C)C(=O)N[C@H](C)c2ccc3ccccc3c2)CC1 ZINC000174295151 940718417 /nfs/dbraw/zinc/71/84/17/940718417.db2.gz AIQACUQOHWDSKC-QZTJIDSGSA-N 1 3 367.537 3.868 20 0 FHADHO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CN[C@@H](CC)c1ccncc1 ZINC000414266860 940865108 /nfs/dbraw/zinc/86/51/08/940865108.db2.gz MNKQGBGRWGAQIC-BHIFYINESA-N 1 3 353.510 3.659 20 0 FHADHO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CN[C@@H](CC)c1ccncc1 ZINC000414266860 940865110 /nfs/dbraw/zinc/86/51/10/940865110.db2.gz MNKQGBGRWGAQIC-BHIFYINESA-N 1 3 353.510 3.659 20 0 FHADHO OC1(C[NH2+][C@H]2CCCOc3ccccc32)CCN(Cc2ccccc2)CC1 ZINC000414292276 940910310 /nfs/dbraw/zinc/91/03/10/940910310.db2.gz AMHLNZMNUSVIJS-NRFANRHFSA-N 1 3 366.505 3.517 20 0 FHADHO CC[C@@H](NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)c1ccsc1 ZINC000414349233 941019609 /nfs/dbraw/zinc/01/96/09/941019609.db2.gz YDLMAGZOPILQEY-HXUWFJFHSA-N 1 3 371.550 3.686 20 0 FHADHO C[C@H](C[NH2+]C1CCN(CCc2ccc(F)cc2)CC1)N1CCC[C@@H](C)C1 ZINC000580113810 941059885 /nfs/dbraw/zinc/05/98/85/941059885.db2.gz YCGLPOZPVDSECX-RTBURBONSA-N 1 3 361.549 3.543 20 0 FHADHO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[C@@H]1[NH2+]CCCN1CCCC1 ZINC000177356626 941118741 /nfs/dbraw/zinc/11/87/41/941118741.db2.gz QXTGSLSDLYFIKC-CEXWTWQISA-N 1 3 365.562 3.630 20 0 FHADHO C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624121019 941252919 /nfs/dbraw/zinc/25/29/19/941252919.db2.gz LTHDDHGSBGDLQD-HIFRSBDPSA-N 1 3 357.311 3.841 20 0 FHADHO [NH3+]CCC[C@@H](NCc1cnc2ccc(Br)cn12)c1ccccc1 ZINC000415045875 941569416 /nfs/dbraw/zinc/56/94/16/941569416.db2.gz BXNVQDKQKORFCR-QGZVFWFLSA-N 1 3 373.298 3.667 20 0 FHADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(CCCc2c(F)cccc2Cl)CC1 ZINC000415104016 941606254 /nfs/dbraw/zinc/60/62/54/941606254.db2.gz GHFSHXJATAXNBL-RBUKOAKNSA-N 1 3 354.897 3.630 20 0 FHADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(Cc2c(Cl)ccc3cccnc32)CC1 ZINC000415106712 941609383 /nfs/dbraw/zinc/60/93/83/941609383.db2.gz JUCKNXQOJBWQMC-AZUAARDMSA-N 1 3 359.901 3.607 20 0 FHADHO Fc1cc(-c2ccccc2)ccc1CN1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000415136970 941626115 /nfs/dbraw/zinc/62/61/15/941626115.db2.gz IJDIWHLUYSPOFO-IRLDBZIGSA-N 1 3 366.480 3.693 20 0 FHADHO COC1CCN(C(C)(C)C[NH2+][C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000513231108 941788524 /nfs/dbraw/zinc/78/85/24/941788524.db2.gz BTSXYFXVKUEYKU-FPOVZHCZSA-N 1 3 373.585 3.519 20 0 FHADHO C[C@@H]1CCCCN1CCC[NH2+]CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000695275330 941812729 /nfs/dbraw/zinc/81/27/29/941812729.db2.gz STEFAIJSFLOKAI-GOSISDBHSA-N 1 3 367.578 3.878 20 0 FHADHO C[C@H]1CCCCN1CCC[NH2+]CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000695275331 941812799 /nfs/dbraw/zinc/81/27/99/941812799.db2.gz STEFAIJSFLOKAI-SFHVURJKSA-N 1 3 367.578 3.878 20 0 FHADHO CN(Cc1ccnn1-c1ccc(F)cc1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377709265 941917460 /nfs/dbraw/zinc/91/74/60/941917460.db2.gz UVQZQXGUMUBYTQ-UHFFFAOYSA-N 1 3 365.456 3.507 20 0 FHADHO CC[NH2+]Cc1cccc(NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000415908483 942127845 /nfs/dbraw/zinc/12/78/45/942127845.db2.gz PPWGMBPYWPOSID-NRFANRHFSA-N 1 3 366.509 3.582 20 0 FHADHO CC[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000415927681 942164776 /nfs/dbraw/zinc/16/47/76/942164776.db2.gz DMMPQGUOPJNWSR-YLJYHZDGSA-N 1 3 366.509 3.581 20 0 FHADHO Cc1cccc(O[C@H]2CCCC[C@H]2[NH2+]CCCN2CCN(C(C)C)CC2)c1 ZINC000502008365 942166432 /nfs/dbraw/zinc/16/64/32/942166432.db2.gz OEPXBWJFQBCWNL-PKTZIBPZSA-N 1 3 373.585 3.691 20 0 FHADHO CC[NH2+]Cc1ccccc1NC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000415954031 942195689 /nfs/dbraw/zinc/19/56/89/942195689.db2.gz LVTBRJPUKJQTNX-FXAWDEMLSA-N 1 3 366.509 3.581 20 0 FHADHO CC[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000415956222 942197971 /nfs/dbraw/zinc/19/79/71/942197971.db2.gz NTNFTJZBNFUKGH-HXUWFJFHSA-N 1 3 366.509 3.582 20 0 FHADHO CC[NH2+]Cc1ccccc1NC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000415964544 942205054 /nfs/dbraw/zinc/20/50/54/942205054.db2.gz ZXEBXBYURVWBBW-UHFFFAOYSA-N 1 3 358.530 3.524 20 0 FHADHO C[NH2+]Cc1ccc(NC(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)cc1 ZINC000415969616 942215224 /nfs/dbraw/zinc/21/52/24/942215224.db2.gz GRLONHQYOYTEBT-SFHVURJKSA-N 1 3 366.509 3.534 20 0 FHADHO C[NH2+]Cc1ccc(NC(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)cc1 ZINC000415977446 942220206 /nfs/dbraw/zinc/22/02/06/942220206.db2.gz YHOGFQDYLGCPHB-SFHVURJKSA-N 1 3 366.509 3.534 20 0 FHADHO C[NH2+]Cc1ccc(NC(=O)NC[C@@H](c2ccc(SC)cc2)N(C)C)cc1 ZINC000415986633 942228827 /nfs/dbraw/zinc/22/88/27/942228827.db2.gz VCXYHUQCGHPFLW-IBGZPJMESA-N 1 3 372.538 3.552 20 0 FHADHO CC(C)N1CCN(CCC[NH2+]C2(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000500988216 942248623 /nfs/dbraw/zinc/24/86/23/942248623.db2.gz HOPVZDAPBKKEPW-UHFFFAOYSA-N 1 3 369.475 3.700 20 0 FHADHO CC[NH+](CC)CCCC1CCN(C(=O)Nc2ccc3c(c2)CNC3)CC1 ZINC000416010731 942252175 /nfs/dbraw/zinc/25/21/75/942252175.db2.gz OOEKDNOKBROPJR-UHFFFAOYSA-N 1 3 358.530 3.656 20 0 FHADHO CC[NH+]1CCC(N2CCCN([C@@H](C)c3ccc(F)c(F)c3)CC2)CC1 ZINC000420977423 942287666 /nfs/dbraw/zinc/28/76/66/942287666.db2.gz ICGDXQBAZZAPQQ-INIZCTEOSA-N 1 3 351.485 3.518 20 0 FHADHO CCN1CCC([N@@H+]2CCCN([C@@H]3CCc4ccc(Cl)cc43)CC2)CC1 ZINC000420977083 942287796 /nfs/dbraw/zinc/28/77/96/942287796.db2.gz HQXGIUAIFITDPS-OAQYLSRUSA-N 1 3 361.961 3.819 20 0 FHADHO CCN1CCC([N@H+]2CCCN([C@@H]3CCc4ccc(Cl)cc43)CC2)CC1 ZINC000420977083 942287797 /nfs/dbraw/zinc/28/77/97/942287797.db2.gz HQXGIUAIFITDPS-OAQYLSRUSA-N 1 3 361.961 3.819 20 0 FHADHO Cc1cccc(NC(=O)[C@@H](C)N(C)CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000501074122 942295975 /nfs/dbraw/zinc/29/59/75/942295975.db2.gz BTGPCZUTZJCCGG-GOSISDBHSA-N 1 3 366.509 3.565 20 0 FHADHO COc1cc(C)c(C[C@H](C)[NH2+]C2CCN(C3CCCC3)CC2)cc1OC ZINC000502285297 942332951 /nfs/dbraw/zinc/33/29/51/942332951.db2.gz IQOCUBSUVMTTPS-KRWDZBQOSA-N 1 3 360.542 3.940 20 0 FHADHO Cc1ncc(CN2CC[C@@H]([NH2+]C3CCN(C(C)(C)C)CC3)[C@@H](C)C2)s1 ZINC000378184169 942364649 /nfs/dbraw/zinc/36/46/49/942364649.db2.gz MEVYBSMFVYSSOT-HNAYVOBHSA-N 1 3 364.603 3.514 20 0 FHADHO C[NH2+]C[C@@H](C)CN[C@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414829963 942480256 /nfs/dbraw/zinc/48/02/56/942480256.db2.gz BSCXFFRAUKXJEU-GHMZBOCLSA-N 1 3 365.827 3.521 20 0 FHADHO CC[C@@H]1CN(CCC(=O)Nc2ccccc2Oc2ccccc2)CC[C@@H]1[NH3+] ZINC000647938306 942486904 /nfs/dbraw/zinc/48/69/04/942486904.db2.gz JIQAMJOFJZEDHC-MJGOQNOKSA-N 1 3 367.493 3.867 20 0 FHADHO CCc1cc(OC)ccc1CNCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000501461271 942495644 /nfs/dbraw/zinc/49/56/44/942495644.db2.gz JYHXIIDQBSXQJW-UHFFFAOYSA-N 1 3 368.521 3.504 20 0 FHADHO C[C@H]1CC[C@H](C)N1CC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000468655426 942527837 /nfs/dbraw/zinc/52/78/37/942527837.db2.gz KVIFMNDEZOFVBH-OALUTQOASA-N 1 3 357.542 3.552 20 0 FHADHO COc1cccc(CN(C)CC[C@@H]2CC[NH2+]C2)c1OCc1ccccc1F ZINC000420363713 942640176 /nfs/dbraw/zinc/64/01/76/942640176.db2.gz CBRNLEXUUIMBEP-KRWDZBQOSA-N 1 3 372.484 3.845 20 0 FHADHO CC[NH+](CC)Cc1cccc(CN[C@H](C)c2ccccc2-n2ccnn2)c1 ZINC000514105769 942749115 /nfs/dbraw/zinc/74/91/15/942749115.db2.gz UBRLRXWUGJAVJY-GOSISDBHSA-N 1 3 363.509 3.960 20 0 FHADHO Cc1nc(CC[N@@H+]2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)cs1 ZINC000502867899 942815011 /nfs/dbraw/zinc/81/50/11/942815011.db2.gz GIQFVWXDSDULKW-OAQYLSRUSA-N 1 3 355.551 3.982 20 0 FHADHO Cc1nc(CC[N@H+]2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)cs1 ZINC000502867899 942815018 /nfs/dbraw/zinc/81/50/18/942815018.db2.gz GIQFVWXDSDULKW-OAQYLSRUSA-N 1 3 355.551 3.982 20 0 FHADHO CN(Cc1cnc([C@H]2CCCO2)s1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000363886963 942962927 /nfs/dbraw/zinc/96/29/27/942962927.db2.gz JZYWONYCMLUOPC-LJQANCHMSA-N 1 3 372.538 3.738 20 0 FHADHO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)N[C@@H](C[NH3+])C1CCCCC1 ZINC000414856993 943030347 /nfs/dbraw/zinc/03/03/47/943030347.db2.gz ZYWOTRSGDJTPCG-DYVFJYSZSA-N 1 3 371.447 3.920 20 0 FHADHO COc1cc(CN2CCC[C@@H]([C@H](C)[NH3+])C2)c(-c2ccccc2)cc1OC ZINC000414665891 943165291 /nfs/dbraw/zinc/16/52/91/943165291.db2.gz VSJUZYOBYBZQDI-FUHWJXTLSA-N 1 3 354.494 3.930 20 0 FHADHO CCCCC[N@@H+](Cc1ccc(Cl)cc1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414673004 943202291 /nfs/dbraw/zinc/20/22/91/943202291.db2.gz BJWJEOKOOWDZQG-SFHVURJKSA-N 1 3 365.949 3.530 20 0 FHADHO CCCCC[N@H+](Cc1ccc(Cl)cc1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414673004 943202293 /nfs/dbraw/zinc/20/22/93/943202293.db2.gz BJWJEOKOOWDZQG-SFHVURJKSA-N 1 3 365.949 3.530 20 0 FHADHO N[C@@H]1C[C@H]([NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)c2ccccc21 ZINC000422699791 943237682 /nfs/dbraw/zinc/23/76/82/943237682.db2.gz BARWHGMEOKXRLH-RTWAWAEBSA-N 1 3 357.448 3.664 20 0 FHADHO [NH3+][C@@H]1C[C@H](NC2CCN(Cc3ccc(F)c(F)c3)CC2)c2ccccc21 ZINC000422699791 943237689 /nfs/dbraw/zinc/23/76/89/943237689.db2.gz BARWHGMEOKXRLH-RTWAWAEBSA-N 1 3 357.448 3.664 20 0 FHADHO CC(C)N1CCN(C2CC[NH+]([C@@H](C)CCc3cccc(F)c3)CC2)CC1 ZINC000272881263 943237980 /nfs/dbraw/zinc/23/79/80/943237980.db2.gz QPHPRADNJZAOAI-IBGZPJMESA-N 1 3 361.549 3.637 20 0 FHADHO C[C@H]([NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1)[C@H]1CCCCN1 ZINC000422718005 943255842 /nfs/dbraw/zinc/25/58/42/943255842.db2.gz WOQWAVPHVRAUHU-HNAYVOBHSA-N 1 3 369.475 3.790 20 0 FHADHO C[C@H](NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422718005 943255845 /nfs/dbraw/zinc/25/58/45/943255845.db2.gz WOQWAVPHVRAUHU-HNAYVOBHSA-N 1 3 369.475 3.790 20 0 FHADHO CCOc1ccc(Oc2cc(CN[C@H]3CCCC[C@H]3C[NH3+])ccn2)cc1 ZINC000422718728 943256486 /nfs/dbraw/zinc/25/64/86/943256486.db2.gz XLBLTLUYBKDWNQ-PXNSSMCTSA-N 1 3 355.482 3.880 20 0 FHADHO CC[C@H](N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(OC)cc1 ZINC000422753779 943272938 /nfs/dbraw/zinc/27/29/38/943272938.db2.gz DEVAYKQWFLASBL-ONTIZHBOSA-N 1 3 352.478 3.992 20 0 FHADHO COc1cccc([C@H](CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)N2CCCC2)c1 ZINC000422755474 943274152 /nfs/dbraw/zinc/27/41/52/943274152.db2.gz HYQFOJZAWSAELO-ODAXIHTASA-N 1 3 371.569 3.733 20 0 FHADHO CCOc1cccc([C@H](C)N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422783596 943281820 /nfs/dbraw/zinc/28/18/20/943281820.db2.gz OMBVYJRTJCLBRB-BUKVSMQUSA-N 1 3 352.478 3.992 20 0 FHADHO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H](Cc1ccccc1)[C@H](C)N ZINC000422786273 943282639 /nfs/dbraw/zinc/28/26/39/943282639.db2.gz KRRUPYNRSJLVFE-SBUREZEXSA-N 1 3 362.521 3.596 20 0 FHADHO CCN(CC)[C@H](CN[C@H]1C[C@H]([NH3+])c2ccccc21)c1cccc(OC)c1 ZINC000422797155 943286397 /nfs/dbraw/zinc/28/63/97/943286397.db2.gz LEPZGNRPKQKWLY-FDFHNCONSA-N 1 3 353.510 3.813 20 0 FHADHO CC(C)Oc1ccc(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422822906 943295878 /nfs/dbraw/zinc/29/58/78/943295878.db2.gz BURJVAVMFVILML-IRLDBZIGSA-N 1 3 352.478 3.819 20 0 FHADHO Cc1ccc(-c2nc(CC[NH2+][C@@H](C)c3ccc(CN)nc3C)co2)cc1 ZINC000422875690 943313604 /nfs/dbraw/zinc/31/36/04/943313604.db2.gz CUSGLITVJBELCB-HNNXBMFYSA-N 1 3 350.466 3.705 20 0 FHADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@@H](c1ccccc1)N1CCc2sccc2C1 ZINC000422883523 943317147 /nfs/dbraw/zinc/31/71/47/943317147.db2.gz QOXMLXDNDWHCGU-UIFIKXQLSA-N 1 3 369.578 3.825 20 0 FHADHO Cc1cc(C)n(-c2ccccc2CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)n1 ZINC000422890368 943319743 /nfs/dbraw/zinc/31/97/43/943319743.db2.gz RTFCCJMLSMBUTN-QHAWAJNXSA-N 1 3 352.526 3.890 20 0 FHADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000422873647 943322480 /nfs/dbraw/zinc/32/24/80/943322480.db2.gz AWLLWZATLOGUCF-KBPBESRZSA-N 1 3 367.497 3.544 20 0 FHADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCc1nc2ccccc2n1C(F)F ZINC000422906958 943326686 /nfs/dbraw/zinc/32/66/86/943326686.db2.gz ANTFAZQWVMYKBW-RHSMWYFYSA-N 1 3 358.436 3.522 20 0 FHADHO Cc1cc(C)n(-c2ccc(CN[C@H](C)C[C@@H](C)[NH3+])c(C(F)(F)F)c2)n1 ZINC000422906627 943327198 /nfs/dbraw/zinc/32/71/98/943327198.db2.gz VPPFTAIITCXJRF-VXGBXAGGSA-N 1 3 354.420 3.723 20 0 FHADHO FC(F)n1c(CCN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)nc2ccccc21 ZINC000422915413 943329677 /nfs/dbraw/zinc/32/96/77/943329677.db2.gz YCPDWDQIYGWDLV-BZUAXINKSA-N 1 3 362.468 3.874 20 0 FHADHO Clc1cccc(OCCN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422935749 943337657 /nfs/dbraw/zinc/33/76/57/943337657.db2.gz DNGYXISCDZPICL-ICSRJNTNSA-N 1 3 358.869 3.564 20 0 FHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H](C)Cc1ccc(Br)cc1 ZINC000422943174 943340012 /nfs/dbraw/zinc/34/00/12/943340012.db2.gz QMAMANBQWPMKHG-OLZOCXBDSA-N 1 3 362.315 3.893 20 0 FHADHO CCC(CC)(CNC(=O)N1CCN(C)CC[C@@H]1C)[NH2+][C@H](C)c1ccccc1 ZINC000503701858 943344749 /nfs/dbraw/zinc/34/47/49/943344749.db2.gz NJFPMILIVITJDW-RBUKOAKNSA-N 1 3 374.573 3.632 20 0 FHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000422952428 943347366 /nfs/dbraw/zinc/34/73/66/943347366.db2.gz BEYISDIIAPDUOP-CQSZACIVSA-N 1 3 367.522 3.651 20 0 FHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000422950456 943347402 /nfs/dbraw/zinc/34/74/02/943347402.db2.gz VYEXZDDFRDDBOE-ZDUSSCGKSA-N 1 3 354.429 3.536 20 0 FHADHO C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)Sc1ccc(Br)cc1 ZINC000422953341 943348349 /nfs/dbraw/zinc/34/83/49/943348349.db2.gz FHRAELSYCRNWKI-YXQSOJMXSA-N 1 3 355.345 3.802 20 0 FHADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@H]1CCc2c1cccc2Br ZINC000422958104 943349649 /nfs/dbraw/zinc/34/96/49/943349649.db2.gz OOQUNBJSKHZFDA-XIKOKIGWSA-N 1 3 360.299 3.949 20 0 FHADHO c1ccc([C@H](N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)[C@@H]2CCOC2)cc1 ZINC000422986184 943358901 /nfs/dbraw/zinc/35/89/01/943358901.db2.gz GQCPXOAYNXIRKU-SQMBMXPBSA-N 1 3 364.489 3.610 20 0 FHADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccc(Sc2ccc(F)cc2)cc1 ZINC000423012483 943363933 /nfs/dbraw/zinc/36/39/33/943363933.db2.gz DEIBXOVLVUNLQB-PNHOKKKMSA-N 1 3 360.498 3.819 20 0 FHADHO NC[C@H]1CCCC[C@H]1[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000423014459 943364933 /nfs/dbraw/zinc/36/49/33/943364933.db2.gz PDNZXZMEYKCDLS-BXUZGUMPSA-N 1 3 365.827 3.630 20 0 FHADHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3cccc(NC(=O)c4ccccc4Cl)c3)C[C@H]12 ZINC000435379149 943367952 /nfs/dbraw/zinc/36/79/52/943367952.db2.gz LFCJNUUZOLSUQW-MOXGXCLJSA-N 1 3 369.896 3.761 20 0 FHADHO N[C@@H]1C[C@H]([NH2+]CCCc2nc(-c3ccc(F)cc3)no2)c2ccccc21 ZINC000423028595 943370969 /nfs/dbraw/zinc/37/09/69/943370969.db2.gz GWHNBBMXYDNSAV-MSOLQXFVSA-N 1 3 352.413 3.543 20 0 FHADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000423036954 943373205 /nfs/dbraw/zinc/37/32/05/943373205.db2.gz AYIYOAOXBJVPPP-DKICVRJWSA-N 1 3 361.892 3.606 20 0 FHADHO CSCc1cccc(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000423060650 943378290 /nfs/dbraw/zinc/37/82/90/943378290.db2.gz OUUDENHBUPMXFG-TZIWHRDSSA-N 1 3 354.519 3.895 20 0 FHADHO CN(C)[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1cccc(C(F)(F)F)c1 ZINC000423049579 943383960 /nfs/dbraw/zinc/38/39/60/943383960.db2.gz KGUIJDUFKNLBGU-INDMIFKZSA-N 1 3 369.475 3.818 20 0 FHADHO CC(C)Oc1ccc([C@H](C[NH2+][C@@H](Cc2ccccc2)[C@H](C)N)N(C)C)cc1 ZINC000423127861 943399610 /nfs/dbraw/zinc/39/96/10/943399610.db2.gz PTAADZFSTOYVEQ-TZYHBYERSA-N 1 3 369.553 3.625 20 0 FHADHO CC(C)Oc1ccc([C@H](CN[C@@H](Cc2ccccc2)[C@H](C)[NH3+])N(C)C)cc1 ZINC000423127861 943399614 /nfs/dbraw/zinc/39/96/14/943399614.db2.gz PTAADZFSTOYVEQ-TZYHBYERSA-N 1 3 369.553 3.625 20 0 FHADHO CSc1ccc([C@H](C[NH2+][C@H](C)c2ccc(CN)nc2C)N(C)C)cc1 ZINC000423144753 943406767 /nfs/dbraw/zinc/40/67/67/943406767.db2.gz HVJXEPYSEOMDBB-VLIAUNLRSA-N 1 3 358.555 3.524 20 0 FHADHO CSc1ccc([C@H](C[NH2+][C@H](Cc2ccccc2)[C@@H](C)N)N(C)C)cc1 ZINC000423146193 943407396 /nfs/dbraw/zinc/40/73/96/943407396.db2.gz OLHLCGOPZZZIBA-HBGVWJBISA-N 1 3 357.567 3.559 20 0 FHADHO CSc1ccc([C@H](CN[C@H](Cc2ccccc2)[C@@H](C)[NH3+])N(C)C)cc1 ZINC000423146193 943407401 /nfs/dbraw/zinc/40/74/01/943407401.db2.gz OLHLCGOPZZZIBA-HBGVWJBISA-N 1 3 357.567 3.559 20 0 FHADHO C[C@H](NCCC[NH2+]Cc1cccnc1)c1ccc(OC(F)(F)F)cc1 ZINC000423183341 943419366 /nfs/dbraw/zinc/41/93/66/943419366.db2.gz GKUMSSMBJZIMPL-AWEZNQCLSA-N 1 3 353.388 3.811 20 0 FHADHO COc1ccc([C@@H](NCC2=CC[NH2+]CC2)C(C)C)c(Br)c1 ZINC000423364044 943492474 /nfs/dbraw/zinc/49/24/74/943492474.db2.gz YWWMBGABPQUBPM-KRWDZBQOSA-N 1 3 353.304 3.664 20 0 FHADHO Fc1cc(Br)cc2c1CC[C@H]2NCc1ccc2c(c1)C[NH2+]C2 ZINC000423368105 943493912 /nfs/dbraw/zinc/49/39/12/943493912.db2.gz CXXMSHSPUDYNOU-GOSISDBHSA-N 1 3 361.258 3.969 20 0 FHADHO C[C@H](CCCc1cccnc1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000423369834 943493923 /nfs/dbraw/zinc/49/39/23/943493923.db2.gz OXLNQQPFUQCIGU-FQELHTAISA-N 1 3 359.464 3.806 20 0 FHADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@@H]2NCCc3ccccc32)CC1 ZINC000423419650 943503963 /nfs/dbraw/zinc/50/39/63/943503963.db2.gz IUCNHTVOZJMKGA-DVECYGJZSA-N 1 3 363.549 3.559 20 0 FHADHO C[C@H](c1ccc2ccccc2c1)[N@H+](C[C@@H]1CCCN(C(=O)CN)C1)C1CC1 ZINC000414743362 943514095 /nfs/dbraw/zinc/51/40/95/943514095.db2.gz ITBOGRKRXCUVIQ-QZTJIDSGSA-N 1 3 365.521 3.563 20 0 FHADHO C[C@H](c1ccc2ccccc2c1)[N@@H+](C[C@@H]1CCCN(C(=O)CN)C1)C1CC1 ZINC000414743362 943514099 /nfs/dbraw/zinc/51/40/99/943514099.db2.gz ITBOGRKRXCUVIQ-QZTJIDSGSA-N 1 3 365.521 3.563 20 0 FHADHO CCOC(=O)N1CCC([C@@H](C)[NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000187700271 943532676 /nfs/dbraw/zinc/53/26/76/943532676.db2.gz XZHKEQOHMHITKR-QGZVFWFLSA-N 1 3 365.562 3.630 20 0 FHADHO C[C@@H]1CCSCCN1Cc1cncc(C[N@@H+]2CCSCC[C@H]2C)c1 ZINC000584761156 943547733 /nfs/dbraw/zinc/54/77/33/943547733.db2.gz HJUFUDQIOHLHAI-IAGOWNOFSA-N 1 3 365.612 3.736 20 0 FHADHO C[C@@H]1CCSCCN1Cc1cncc(C[N@H+]2CCSCC[C@H]2C)c1 ZINC000584761156 943547736 /nfs/dbraw/zinc/54/77/36/943547736.db2.gz HJUFUDQIOHLHAI-IAGOWNOFSA-N 1 3 365.612 3.736 20 0 FHADHO C[C@@H]1C[C@H](CN2CCO[C@H](c3ccc(Br)cc3)[C@@H]2C)CC[NH2+]1 ZINC000414752106 943566248 /nfs/dbraw/zinc/56/62/48/943566248.db2.gz JYXFCCKREHDDMA-FSZRXZPDSA-N 1 3 367.331 3.599 20 0 FHADHO C[C@H]([NH2+]C[C@@H]1CCCN(C(=O)C(C)(C)C)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000660256701 943804752 /nfs/dbraw/zinc/80/47/52/943804752.db2.gz NRSYLGNXAWIHGL-GBESFXJTSA-N 1 3 363.590 3.514 20 0 FHADHO CC[NH+]1CCC(CN[C@@H](C)c2ccc(OC)cc2Br)CC1 ZINC000515367005 943830412 /nfs/dbraw/zinc/83/04/12/943830412.db2.gz DMYCSQIHUXHRQA-ZDUSSCGKSA-N 1 3 355.320 3.840 20 0 FHADHO COc1ccccc1-c1nc(CN2CC3(C[C@@H]2C)CC[NH2+]CC3)cs1 ZINC000424301902 943850854 /nfs/dbraw/zinc/85/08/54/943850854.db2.gz YFDOETDTNYKNNS-HNNXBMFYSA-N 1 3 357.523 3.783 20 0 FHADHO Cc1cccn2cc(COc3ccc(C[NH2+][C@@H]4CCCC[C@H]4N)cc3)nc12 ZINC000424363270 943867751 /nfs/dbraw/zinc/86/77/51/943867751.db2.gz BMWLTISYLASBIY-NHCUHLMSSA-N 1 3 364.493 3.581 20 0 FHADHO CCN(C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)[C@@H]1CCCC[C@H]1C ZINC000516979993 943880633 /nfs/dbraw/zinc/88/06/33/943880633.db2.gz UGEFMJBHTYNYIS-WIYYLYMNSA-N 1 3 363.590 3.610 20 0 FHADHO COc1cc(C[NH2+][C@@H]2CCCC[C@H]2N)ccc1OCc1ccc(F)cc1 ZINC000424372829 943883287 /nfs/dbraw/zinc/88/32/87/943883287.db2.gz WZGJAWRMZKBZMY-RTBURBONSA-N 1 3 358.457 3.773 20 0 FHADHO CCCc1ccc([C@H](NCC(=O)NC2CC[NH+](C3CC3)CC2)C(C)C)cc1 ZINC000437645812 943994291 /nfs/dbraw/zinc/99/42/91/943994291.db2.gz LBNOXXCTLPJOJW-HSZRJFAPSA-N 1 3 371.569 3.669 20 0 FHADHO CCCc1ccc([C@@H](NCC(=O)NC2CC[NH+](C3CC3)CC2)C(C)C)cc1 ZINC000437645814 943994482 /nfs/dbraw/zinc/99/44/82/943994482.db2.gz LBNOXXCTLPJOJW-QHCPKHFHSA-N 1 3 371.569 3.669 20 0 FHADHO CC[C@@H]1CN(CCC(=O)Nc2ccc(Oc3ccccc3)cc2)CC[C@@H]1[NH3+] ZINC000647937265 944030593 /nfs/dbraw/zinc/03/05/93/944030593.db2.gz URCUEGNCGSKJDQ-UTKZUKDTSA-N 1 3 367.493 3.867 20 0 FHADHO CCCC[C@H](CN)[NH2+]Cc1cccc(NC(=O)c2ccc(OC)cc2)c1 ZINC000414806903 944053167 /nfs/dbraw/zinc/05/31/67/944053167.db2.gz BXRUPYIMUBLIOK-LJQANCHMSA-N 1 3 355.482 3.555 20 0 FHADHO CC(C)N1CCN(CCC[N@H+](Cc2cccc(F)c2)C2CCCC2)CC1 ZINC000500112685 944120511 /nfs/dbraw/zinc/12/05/11/944120511.db2.gz FDJJLSWUQACMBO-UHFFFAOYSA-N 1 3 361.549 3.986 20 0 FHADHO CC(C)N1CCN(CCC[N@@H+](Cc2cccc(F)c2)C2CCCC2)CC1 ZINC000500112685 944120512 /nfs/dbraw/zinc/12/05/12/944120512.db2.gz FDJJLSWUQACMBO-UHFFFAOYSA-N 1 3 361.549 3.986 20 0 FHADHO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)c1cccc(CN2CCCC2)c1 ZINC000437842454 944157273 /nfs/dbraw/zinc/15/72/73/944157273.db2.gz LGFLPVKBFLEDJG-JOCHJYFZSA-N 1 3 369.553 3.809 20 0 FHADHO O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)c1cccc(CN2CCCC2)c1 ZINC000437842454 944157277 /nfs/dbraw/zinc/15/72/77/944157277.db2.gz LGFLPVKBFLEDJG-JOCHJYFZSA-N 1 3 369.553 3.809 20 0 FHADHO c1cc(-c2n[nH]cc2CNCCC[N@@H+]2CCc3ccccc3C2)cs1 ZINC000436282885 944161790 /nfs/dbraw/zinc/16/17/90/944161790.db2.gz SCDILWKZOOQIHR-UHFFFAOYSA-N 1 3 352.507 3.676 20 0 FHADHO c1cc(-c2n[nH]cc2CNCCC[N@H+]2CCc3ccccc3C2)cs1 ZINC000436282885 944161794 /nfs/dbraw/zinc/16/17/94/944161794.db2.gz SCDILWKZOOQIHR-UHFFFAOYSA-N 1 3 352.507 3.676 20 0 FHADHO C[C@@H](COc1ccc2cc(Br)ccc2c1)[NH2+]C[C@H](N)C1CC1 ZINC000414882038 944221771 /nfs/dbraw/zinc/22/17/71/944221771.db2.gz BJIYYFRKBLVDJS-SGTLLEGYSA-N 1 3 363.299 3.697 20 0 FHADHO Cc1ccc(CN2CC[C@H](NC3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)cc1 ZINC001167975072 944268919 /nfs/dbraw/zinc/26/89/19/944268919.db2.gz GLUVRXBCQDGWLN-MBJRSGMTSA-N 1 3 353.554 3.564 20 0 FHADHO Cc1ccc(CN2CC[C@H](NC3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)cc1 ZINC001167975072 944268925 /nfs/dbraw/zinc/26/89/25/944268925.db2.gz GLUVRXBCQDGWLN-MBJRSGMTSA-N 1 3 353.554 3.564 20 0 FHADHO Cc1cccc(CN2CC[C@H](NC3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)c1 ZINC001167975807 944365475 /nfs/dbraw/zinc/36/54/75/944365475.db2.gz WITWFWGKHVTEER-MBJRSGMTSA-N 1 3 353.554 3.564 20 0 FHADHO Cc1cccc(CN2CC[C@H](NC3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)c1 ZINC001167975807 944365482 /nfs/dbraw/zinc/36/54/82/944365482.db2.gz WITWFWGKHVTEER-MBJRSGMTSA-N 1 3 353.554 3.564 20 0 FHADHO c1ccc2c(c1)C=C(CNCc1ccc(OCC[NH+]3CCCC3)cc1)CO2 ZINC000518454123 944391740 /nfs/dbraw/zinc/39/17/40/944391740.db2.gz ZHUCIDMNJBNVTL-UHFFFAOYSA-N 1 3 364.489 3.727 20 0 FHADHO C[NH+]1CCC(Oc2ccc(CNCc3cccc4c3NCCC4)cc2)CC1 ZINC000894692319 944424176 /nfs/dbraw/zinc/42/41/76/944424176.db2.gz FGBOMYOARSMWGD-UHFFFAOYSA-N 1 3 365.521 3.808 20 0 FHADHO COc1ccc(CC[C@H](C)[NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)cc1O ZINC000426356094 944544363 /nfs/dbraw/zinc/54/43/63/944544363.db2.gz HBHIYFATYDRWOK-YQVWRLOYSA-N 1 3 360.542 3.965 20 0 FHADHO C[C@H]1CN(CCC2CC[NH+](CCCOc3ccccc3)CC2)C[C@H](C)O1 ZINC000426775174 944792745 /nfs/dbraw/zinc/79/27/45/944792745.db2.gz RPIPBHHVGZZOPB-PMACEKPBSA-N 1 3 360.542 3.667 20 0 FHADHO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000519480382 945464479 /nfs/dbraw/zinc/46/44/79/945464479.db2.gz VRGYNQDXLPXDSU-KNKQGSTJSA-N 1 3 369.553 3.760 20 0 FHADHO Clc1cccnc1N1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC1 ZINC001167967482 945543634 /nfs/dbraw/zinc/54/36/34/945543634.db2.gz FHWLBFZMPPZDLG-YQQQUEKLSA-N 1 3 374.960 3.699 20 0 FHADHO CCSc1cc(CN[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)ccn1 ZINC000187800835 945599297 /nfs/dbraw/zinc/59/92/97/945599297.db2.gz RKALHGQUGJUTCP-INIZCTEOSA-N 1 3 359.539 3.985 20 0 FHADHO C[C@H](CNc1ccnc2cc(C(F)(F)F)ccc21)C[NH+]1CCOCC1 ZINC000301792767 945968240 /nfs/dbraw/zinc/96/82/40/945968240.db2.gz OGOPHSMVDJUPNX-CYBMUJFWSA-N 1 3 353.388 3.634 20 0 FHADHO CC1CCN([C@@H](CNC(=O)CCCCCC[NH3+])c2cccs2)CC1 ZINC000236720384 945996242 /nfs/dbraw/zinc/99/62/42/945996242.db2.gz UCBZUWXWQHEAON-KRWDZBQOSA-N 1 3 351.560 3.547 20 0 FHADHO C[C@@H](CC[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1)OCc1ccccc1 ZINC000475056677 946020839 /nfs/dbraw/zinc/02/08/39/946020839.db2.gz LKISGFVMYJJRIA-PCCBWWKXSA-N 1 3 374.569 3.803 20 0 FHADHO C[C@@H]1C[C@@H](N2CC[C@H](Oc3cccnc3)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168056015 946320719 /nfs/dbraw/zinc/32/07/19/946320719.db2.gz ZWTQOSCBSVSWOA-QRICJDHISA-N 1 3 365.521 3.976 20 0 FHADHO C[C@@H]1C[C@@H](N2CC[C@H](Oc3cccnc3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168056015 946320731 /nfs/dbraw/zinc/32/07/31/946320731.db2.gz ZWTQOSCBSVSWOA-QRICJDHISA-N 1 3 365.521 3.976 20 0 FHADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H]3CCCC(C)(C)C3)CC2)CC1 ZINC000520251569 946321997 /nfs/dbraw/zinc/32/19/97/946321997.db2.gz GNHAGGDJOVRMIU-SFHVURJKSA-N 1 3 363.590 3.515 20 0 FHADHO C[C@@H]([NH2+][C@H]1CCCc2occc21)c1cc(F)ccc1N1CCN(C)CC1 ZINC000192831567 946699715 /nfs/dbraw/zinc/69/97/15/946699715.db2.gz PPCAQZYFTUPYMR-BEFAXECRSA-N 1 3 357.473 3.899 20 0 FHADHO Fc1ccc(CN2CCCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)cc1 ZINC001167995189 946893267 /nfs/dbraw/zinc/89/32/67/946893267.db2.gz YMEOCXXHKZJJGR-AIZNXBIQSA-N 1 3 371.544 3.739 20 0 FHADHO Fc1ccc(CN2CCCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)cc1 ZINC001167995189 946893274 /nfs/dbraw/zinc/89/32/74/946893274.db2.gz YMEOCXXHKZJJGR-AIZNXBIQSA-N 1 3 371.544 3.739 20 0 FHADHO CC(C)Oc1ccc([C@H](C)[NH2+]C2CCN([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000246505149 947243874 /nfs/dbraw/zinc/24/38/74/947243874.db2.gz SUBFLEWHLYSCID-MTNREXPMSA-N 1 3 360.542 3.892 20 0 FHADHO CC(C)N1CC[C@@H](C[NH2+][C@H]2CCc3cc(Br)ccc3C2)C1 ZINC000250479990 947339977 /nfs/dbraw/zinc/33/99/77/947339977.db2.gz BSYOXSGSKJPGGN-KSSFIOAISA-N 1 3 351.332 3.626 20 0 FHADHO CC(C)c1ccccc1NC(=O)[C@@H](C)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662294025 947716692 /nfs/dbraw/zinc/71/66/92/947716692.db2.gz AEVSJKUWFJASEU-IEBWSBKVSA-N 1 3 357.542 3.849 20 0 FHADHO Cc1ccc(F)c(C[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)c1 ZINC000523936715 947741319 /nfs/dbraw/zinc/74/13/19/947741319.db2.gz FHBODOJVCRROOT-UHFFFAOYSA-N 1 3 369.528 3.822 20 0 FHADHO Cc1ccc2cc(C[NH+]3CCC(CN4C[C@H](C)O[C@@H](C)C4)CC3)ccc2n1 ZINC000189811455 947841361 /nfs/dbraw/zinc/84/13/61/947841361.db2.gz VQTDLNHFXQOSCB-OALUTQOASA-N 1 3 367.537 3.864 20 0 FHADHO COCC[N@H+](C)CCCN[C@@H](c1ccc(Br)s1)C1CC1 ZINC000190583398 948087678 /nfs/dbraw/zinc/08/76/78/948087678.db2.gz QVLSHKZQGBIFDY-OAHLLOKOSA-N 1 3 361.349 3.520 20 0 FHADHO COCC[N@@H+](C)CCCN[C@@H](c1ccc(Br)s1)C1CC1 ZINC000190583398 948087682 /nfs/dbraw/zinc/08/76/82/948087682.db2.gz QVLSHKZQGBIFDY-OAHLLOKOSA-N 1 3 361.349 3.520 20 0 FHADHO COCC[N@H+](C)CCCN[C@H](c1ccc(Br)s1)C1CC1 ZINC000190583416 948087830 /nfs/dbraw/zinc/08/78/30/948087830.db2.gz QVLSHKZQGBIFDY-HNNXBMFYSA-N 1 3 361.349 3.520 20 0 FHADHO COCC[N@@H+](C)CCCN[C@H](c1ccc(Br)s1)C1CC1 ZINC000190583416 948087835 /nfs/dbraw/zinc/08/78/35/948087835.db2.gz QVLSHKZQGBIFDY-HNNXBMFYSA-N 1 3 361.349 3.520 20 0 FHADHO C[C@@H]([NH2+]C[C@H]1CNCCC1(F)F)c1ccc(SCC(F)F)cc1 ZINC000925780547 948092639 /nfs/dbraw/zinc/09/26/39/948092639.db2.gz FTQDMDKWIXCOJY-DGCLKSJQSA-N 1 3 350.425 3.939 20 0 FHADHO CC[NH+](CC)CCC[C@@H](C)N1CCN(Cc2ccccc2Cl)CC1 ZINC001167824756 948112719 /nfs/dbraw/zinc/11/27/19/948112719.db2.gz GHEBRSZRRXCKGO-GOSISDBHSA-N 1 3 351.966 3.968 20 0 FHADHO CC[NH+](CC)CCC[C@@H](C)N1CCN(C(=O)OC(C)(C)C)CC1(C)C ZINC001167826989 948134866 /nfs/dbraw/zinc/13/48/66/948134866.db2.gz SSCRKAKYCQIUMS-QGZVFWFLSA-N 1 3 355.567 3.828 20 0 FHADHO COc1cccc(OC)c1C[NH2+]C[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000512017336 948199316 /nfs/dbraw/zinc/19/93/16/948199316.db2.gz VGGNLAJIIRMZRJ-QRWLVFNGSA-N 1 3 360.523 3.938 20 0 FHADHO COc1cccc(OC)c1C[NH2+]C[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000512017335 948199536 /nfs/dbraw/zinc/19/95/36/948199536.db2.gz VGGNLAJIIRMZRJ-MGPUTAFESA-N 1 3 360.523 3.938 20 0 FHADHO CC[NH+](CC)CCC[C@H](C)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC001167838058 948311179 /nfs/dbraw/zinc/31/11/79/948311179.db2.gz PEEHMZCAZGMZEQ-SFHVURJKSA-N 1 3 351.966 3.968 20 0 FHADHO COc1cc2c(cc1OC)[C@@H](CN(C)C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)C2 ZINC001168003777 948314412 /nfs/dbraw/zinc/31/44/12/948314412.db2.gz QMCVJQIFRQZXFF-WRURNZQNSA-N 1 3 370.537 3.681 20 0 FHADHO COc1cc2c(cc1OC)[C@@H](CN(C)C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001168003777 948314418 /nfs/dbraw/zinc/31/44/18/948314418.db2.gz QMCVJQIFRQZXFF-WRURNZQNSA-N 1 3 370.537 3.681 20 0 FHADHO C[C@@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1cccc(OC(F)(F)F)c1 ZINC000432407191 948346278 /nfs/dbraw/zinc/34/62/78/948346278.db2.gz LBGGBUSQOSFLRE-LSDHHAIUSA-N 1 3 360.420 3.737 20 0 FHADHO C[C@@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1cccc(OC(F)(F)F)c1 ZINC000432407191 948346280 /nfs/dbraw/zinc/34/62/80/948346280.db2.gz LBGGBUSQOSFLRE-LSDHHAIUSA-N 1 3 360.420 3.737 20 0 FHADHO CCN(CC)C(=O)Nc1ccc([C@@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000152367187 948386314 /nfs/dbraw/zinc/38/63/14/948386314.db2.gz WLXXRQMITUKXHR-SJORKVTESA-N 1 3 358.530 3.695 20 0 FHADHO CCN(CC)C(=O)Nc1ccc([C@@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000152367187 948386320 /nfs/dbraw/zinc/38/63/20/948386320.db2.gz WLXXRQMITUKXHR-SJORKVTESA-N 1 3 358.530 3.695 20 0 FHADHO C[C@@H]1C[C@@H](NC[C@](C)(O)c2ccccc2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168008274 948775778 /nfs/dbraw/zinc/77/57/78/948775778.db2.gz WZUWXWQQBZVDOB-YDLSIGKMSA-N 1 3 352.522 3.925 20 0 FHADHO C[C@@H]1C[C@@H](NC[C@](C)(O)c2ccccc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168008274 948775790 /nfs/dbraw/zinc/77/57/90/948775790.db2.gz WZUWXWQQBZVDOB-YDLSIGKMSA-N 1 3 352.522 3.925 20 0 FHADHO CCN1CCN(CCCC[NH2+][C@H]2CCSc3cc(C)c(C)cc32)CC1 ZINC000186999575 568048030 /nfs/dbraw/zinc/04/80/30/568048030.db2.gz XZCMPSNGWNEYTN-FQEVSTJZSA-N 1 3 361.599 3.848 20 0 FHADHO CN1CC[C@]2(CC[N@H+](Cc3ccc(OCc4cccc(F)c4)cc3)C2)C1 ZINC000644843043 568186180 /nfs/dbraw/zinc/18/61/80/568186180.db2.gz HMFLPKLLFJVWGQ-QFIPXVFZSA-N 1 3 354.469 3.932 20 0 FHADHO CN1CC[C@]2(CC[N@@H+](Cc3ccc(OCc4cccc(F)c4)cc3)C2)C1 ZINC000644843043 568186181 /nfs/dbraw/zinc/18/61/81/568186181.db2.gz HMFLPKLLFJVWGQ-QFIPXVFZSA-N 1 3 354.469 3.932 20 0 FHADHO C[C@H](CCN1CCC[C@@]2(CCCOC2)C1)[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000431593754 568334236 /nfs/dbraw/zinc/33/42/36/568334236.db2.gz BOLXMWLSLLICTK-YPAWHYETSA-N 1 3 364.574 3.550 20 0 FHADHO C[C@H](CCN1CCC[C@@]2(CCCOC2)C1)[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000431593754 568334237 /nfs/dbraw/zinc/33/42/37/568334237.db2.gz BOLXMWLSLLICTK-YPAWHYETSA-N 1 3 364.574 3.550 20 0 FHADHO C[C@H](CC[N@@H+]1CCC[C@@]2(CCCOC2)C1)N1CCC[C@@]2(CCCOC2)C1 ZINC000431593754 568334238 /nfs/dbraw/zinc/33/42/38/568334238.db2.gz BOLXMWLSLLICTK-YPAWHYETSA-N 1 3 364.574 3.550 20 0 FHADHO C[C@H](CC[N@H+]1CCC[C@@]2(CCCOC2)C1)N1CCC[C@@]2(CCCOC2)C1 ZINC000431593754 568334239 /nfs/dbraw/zinc/33/42/39/568334239.db2.gz BOLXMWLSLLICTK-YPAWHYETSA-N 1 3 364.574 3.550 20 0 FHADHO CN(C)c1cc[nH+]c(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)c1 ZINC001164992743 722198924 /nfs/dbraw/zinc/19/89/24/722198924.db2.gz AVRSPTSNJHVYKQ-OAQYLSRUSA-N 1 3 354.473 3.532 20 0 FHADHO N[C@@H](CC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)c1ccccc1 ZINC000237892777 936328974 /nfs/dbraw/zinc/32/89/74/936328974.db2.gz YINNFSSVSJNLNG-QFIPXVFZSA-N 1 3 365.521 3.769 20 0 FHADHO CCc1nn(C)c(CC)c1C[N@@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000583111565 937128737 /nfs/dbraw/zinc/12/87/37/937128737.db2.gz ZCYCGOJVGYAXDH-QHCPKHFHSA-N 1 3 366.553 3.643 20 0 FHADHO CCc1nn(C)c(CC)c1C[N@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000583111565 937128738 /nfs/dbraw/zinc/12/87/38/937128738.db2.gz ZCYCGOJVGYAXDH-QHCPKHFHSA-N 1 3 366.553 3.643 20 0 FHADHO C[NH+](C)CCOc1cc(CN[C@H]2CCCc3c4ccccc4[nH]c32)ccn1 ZINC000579767733 927365182 /nfs/dbraw/zinc/36/51/82/927365182.db2.gz KXTCTTVBLWQBBA-FQEVSTJZSA-N 1 3 364.493 3.671 20 0 FHADHO CN(C)Cc1ccc(-c2noc(C3(CC4CCC4)CC[NH2+]CC3)n2)cc1 ZINC001211501057 928082027 /nfs/dbraw/zinc/08/20/27/928082027.db2.gz YVVNNKZCVMJTJV-UHFFFAOYSA-N 1 3 354.498 3.610 20 0 FHADHO c1ccc(CN2CC3(C2)CC[NH+](C[C@H]2COC4(CCCCC4)O2)CC3)cc1 ZINC001208641140 928337348 /nfs/dbraw/zinc/33/73/48/928337348.db2.gz DCRDTSQRSLPGBB-NRFANRHFSA-N 1 3 370.537 3.660 20 0 FHADHO C[N@H+](C[C@H](O)c1ccc(Cl)cc1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000076109947 929319621 /nfs/dbraw/zinc/31/96/21/929319621.db2.gz FCSHWDRZCAECHI-RXVVDRJESA-N 1 3 358.913 3.827 20 0 FHADHO C[N@@H+](C[C@H](O)c1ccc(Cl)cc1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000076109947 929319633 /nfs/dbraw/zinc/31/96/33/929319633.db2.gz FCSHWDRZCAECHI-RXVVDRJESA-N 1 3 358.913 3.827 20 0 FHADHO COCCCN1CCC([NH2+][C@H](c2ccccc2)c2ccc(OC)cc2)CC1 ZINC000180402789 929495606 /nfs/dbraw/zinc/49/56/06/929495606.db2.gz RILOBMQRFIUVJL-HSZRJFAPSA-N 1 3 368.521 3.875 20 0 FHADHO FC(F)(F)C[C@H]1CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000683721340 929918775 /nfs/dbraw/zinc/91/87/75/929918775.db2.gz SRPOMNXOVCYWDQ-QGZVFWFLSA-N 1 3 356.432 3.936 20 0 FHADHO CN(c1ccccc1CNc1nc2ccc(F)cc2[nH]1)C1CC[NH+](C)CC1 ZINC000683750828 930023205 /nfs/dbraw/zinc/02/32/05/930023205.db2.gz KBMFLRHDKKSILD-UHFFFAOYSA-N 1 3 367.472 3.845 20 0 FHADHO C[C@@H]([NH3+])c1ccc(C(=O)Nc2ccc(CCN3CCSCC3)cc2)cc1 ZINC000583378880 937393440 /nfs/dbraw/zinc/39/34/40/937393440.db2.gz RECNSTFAUYLEGB-MRXNPFEDSA-N 1 3 369.534 3.550 20 0 FHADHO COc1ccc(C[N@@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)cc1OC ZINC000312838265 930641504 /nfs/dbraw/zinc/64/15/04/930641504.db2.gz DZSSXLSVQAQJJW-LEWJYISDSA-N 1 3 366.505 3.658 20 0 FHADHO COc1ccc(C[N@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)cc1OC ZINC000312838265 930641510 /nfs/dbraw/zinc/64/15/10/930641510.db2.gz DZSSXLSVQAQJJW-LEWJYISDSA-N 1 3 366.505 3.658 20 0 FHADHO COc1ccc(CNC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1Br ZINC000088163817 931205226 /nfs/dbraw/zinc/20/52/26/931205226.db2.gz CBMNNWZNXVMSPR-GOOCMWNKSA-N 1 3 353.304 3.563 20 0 FHADHO COc1ccc(CNC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1Br ZINC000088163817 931205237 /nfs/dbraw/zinc/20/52/37/931205237.db2.gz CBMNNWZNXVMSPR-GOOCMWNKSA-N 1 3 353.304 3.563 20 0 FHADHO COc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)cc1Br ZINC000088163817 931205242 /nfs/dbraw/zinc/20/52/42/931205242.db2.gz CBMNNWZNXVMSPR-GOOCMWNKSA-N 1 3 353.304 3.563 20 0 FHADHO C[C@@H]1CN(CCCC[NH2+]Cc2cccc(-c3ccccn3)c2)C[C@@H](C)O1 ZINC000127358858 931323847 /nfs/dbraw/zinc/32/38/47/931323847.db2.gz YNTLSXUGAGUSFH-RTBURBONSA-N 1 3 353.510 3.728 20 0 FHADHO O[C@H](C[NH2+]C1CCN(C2CCCC2)CC1)Cc1ccc2ccccc2c1 ZINC000581066769 931536476 /nfs/dbraw/zinc/53/64/76/931536476.db2.gz WKMWBSYOUNVOBO-QHCPKHFHSA-N 1 3 352.522 3.740 20 0 FHADHO C[N@H+](Cc1ccccc1)C1CCC2(CC1)NC(=N)Nc1nc3ccccc3n12 ZINC000581416545 932015528 /nfs/dbraw/zinc/01/55/28/932015528.db2.gz LEJZTZWKHQRREZ-UHFFFAOYSA-N 1 3 374.492 3.714 20 0 FHADHO C[N@@H+](Cc1ccccc1)C1CCC2(CC1)NC(=N)Nc1nc3ccccc3n12 ZINC000581416545 932015534 /nfs/dbraw/zinc/01/55/34/932015534.db2.gz LEJZTZWKHQRREZ-UHFFFAOYSA-N 1 3 374.492 3.714 20 0 FHADHO COc1cc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)ccc1OCc1cccs1 ZINC000564452586 932249551 /nfs/dbraw/zinc/24/95/51/932249551.db2.gz GWXFVBFPZHWSNY-QXAKKESOSA-N 1 3 372.534 3.895 20 0 FHADHO C[N@H+](Cc1ccccc1)CC(C)(C)CNc1ccc([C@H]2CNCCO2)cc1 ZINC000656792322 932425258 /nfs/dbraw/zinc/42/52/58/932425258.db2.gz KAYYRQKCIRFZNQ-JOCHJYFZSA-N 1 3 367.537 3.918 20 0 FHADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CNc1ccc([C@H]2CNCCO2)cc1 ZINC000656792322 932425261 /nfs/dbraw/zinc/42/52/61/932425261.db2.gz KAYYRQKCIRFZNQ-JOCHJYFZSA-N 1 3 367.537 3.918 20 0 FHADHO CN1Cc2ccccc2[C@@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)C1 ZINC000647196771 932946376 /nfs/dbraw/zinc/94/63/76/932946376.db2.gz MJUILZRKNKFFAM-GGAORHGYSA-N 1 3 361.533 3.960 20 0 FHADHO Cc1nn(Cc2ccccc2Cl)c(C)c1CN1CCC2(CC[NH2+]C2)CC1 ZINC000430914305 933400373 /nfs/dbraw/zinc/40/03/73/933400373.db2.gz JBMIHQBMZYAPLE-UHFFFAOYSA-N 1 3 372.944 3.777 20 0 FHADHO C[C@@H]([NH3+])C1CCN([C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000430924038 933421234 /nfs/dbraw/zinc/42/12/34/933421234.db2.gz HOMAWKLVYNIDPZ-FRRDWIJNSA-N 1 3 372.340 3.618 20 0 FHADHO CO[C@H](CNC1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccccc1 ZINC000131452262 933863421 /nfs/dbraw/zinc/86/34/21/933863421.db2.gz DAMXHVBXOMJOLS-JOCHJYFZSA-N 1 3 356.485 3.810 20 0 FHADHO CN(Cc1sccc1NC(=O)OC(C)(C)C)CC1CC[NH+](C)CC1 ZINC000891933101 934086108 /nfs/dbraw/zinc/08/61/08/934086108.db2.gz AWIJSYNMYSOJRH-UHFFFAOYSA-N 1 3 353.532 3.869 20 0 FHADHO CC[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(I)cc1 ZINC000610825759 934500196 /nfs/dbraw/zinc/50/01/96/934500196.db2.gz MLSILPILMCSJDI-RCBQFDQVSA-N 1 3 372.294 3.815 20 0 FHADHO CC[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(I)cc1 ZINC000610825759 934500203 /nfs/dbraw/zinc/50/02/03/934500203.db2.gz MLSILPILMCSJDI-RCBQFDQVSA-N 1 3 372.294 3.815 20 0 FHADHO Cc1cc(NC(=O)c2cccc(CN3CCCC3)c2)ccc1C[NH+](C)C ZINC000458263985 934544851 /nfs/dbraw/zinc/54/48/51/934544851.db2.gz BFZNSEIWPYDAIM-UHFFFAOYSA-N 1 3 351.494 3.905 20 0 FHADHO C[NH+](C)Cc1cc(CNCc2cccc(F)c2OC(F)F)ccc1F ZINC000657364630 935390371 /nfs/dbraw/zinc/39/03/71/935390371.db2.gz XTCHVLCOIYGCML-UHFFFAOYSA-N 1 3 356.363 3.918 20 0 FHADHO C[C@H](c1ccccc1)[NH+]1CCC(NCc2ccnn2-c2ccncc2)CC1 ZINC000657368342 935404533 /nfs/dbraw/zinc/40/45/33/935404533.db2.gz VRQCMENUDKIPFK-GOSISDBHSA-N 1 3 361.493 3.583 20 0 FHADHO Cc1c(Br)cncc1C[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000657452423 935805432 /nfs/dbraw/zinc/80/54/32/935805432.db2.gz FEUKPXQBKQTHOW-QGZVFWFLSA-N 1 3 374.326 3.764 20 0 FHADHO c1ccc(N2CCN(CCCC[NH2+][C@H]3CCCc4cccnc43)CC2)cc1 ZINC000684954966 935897499 /nfs/dbraw/zinc/89/74/99/935897499.db2.gz FTRIROAAZPDOPI-QFIPXVFZSA-N 1 3 364.537 3.651 20 0 FHADHO C[C@H](N[C@H]1CCCc2cccnc21)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000684955155 935897890 /nfs/dbraw/zinc/89/78/90/935897890.db2.gz IMHCRVXLKCBJDQ-JXFKEZNVSA-N 1 3 368.500 3.701 20 0 FHADHO CCN(CC1CC[NH+](CCCN2CCCCC2)CC1)C(=O)OC(C)(C)C ZINC000161351230 935918584 /nfs/dbraw/zinc/91/85/84/935918584.db2.gz XNJDGIAMLXAWHE-UHFFFAOYSA-N 1 3 367.578 3.831 20 0 FHADHO Cc1cc(F)c(CNCC2CC[NH+](C3CCOCC3)CC2)c(Cl)c1 ZINC000657537390 935976079 /nfs/dbraw/zinc/97/60/79/935976079.db2.gz JKVJHFXOCMPNCW-UHFFFAOYSA-N 1 3 354.897 3.768 20 0 FHADHO CC(C)n1ccc(C[C@@H](C)[NH2+]C[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)n1 ZINC000415007248 945140796 /nfs/dbraw/zinc/14/07/96/945140796.db2.gz RAZLPTYBSIPGTC-PLMTUMEDSA-N 1 3 358.505 3.517 20 0 FHADHO c1ccc(N2CCC([NH2+]CC3CCN(Cc4ccncc4)CC3)CC2)cc1 ZINC000657613532 936093336 /nfs/dbraw/zinc/09/33/36/936093336.db2.gz MSAHKDQLTHGQJZ-UHFFFAOYSA-N 1 3 364.537 3.552 20 0 FHADHO c1nc(C2CCC2)sc1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657612912 936098865 /nfs/dbraw/zinc/09/88/65/936098865.db2.gz FBYJXJQHWDFBTK-UHFFFAOYSA-N 1 3 356.539 3.807 20 0 FHADHO CC(=O)Nc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000080338845 938249305 /nfs/dbraw/zinc/24/93/05/938249305.db2.gz ZWQZNDNEUYLUAU-HTAPYJJXSA-N 1 3 351.494 3.788 20 0 FHADHO CC(=O)Nc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000080338845 938249306 /nfs/dbraw/zinc/24/93/06/938249306.db2.gz ZWQZNDNEUYLUAU-HTAPYJJXSA-N 1 3 351.494 3.788 20 0 FHADHO CCC[NH+]1CCN(c2ccccc2CN2CC(C)(C)[C@@H]2[C@H]2CCCO2)CC1 ZINC000583472446 938269194 /nfs/dbraw/zinc/26/91/94/938269194.db2.gz IRXZFFLOSQLRSE-YADHBBJMSA-N 1 3 371.569 3.608 20 0 FHADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2c(C)cc(C)c(C(C)=O)c2C)C1 ZINC000472290738 938280740 /nfs/dbraw/zinc/28/07/40/938280740.db2.gz DDCLDALSGLKJSY-HXUWFJFHSA-N 1 3 360.542 3.747 20 0 FHADHO CC(C)c1ccccc1NC(=O)C[C@H](C)NCc1ccc(C[NH3+])cc1F ZINC000650718010 938305030 /nfs/dbraw/zinc/30/50/30/938305030.db2.gz URGZLGQPQGANFE-HNNXBMFYSA-N 1 3 357.473 3.915 20 0 FHADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2CCCc2c(F)cccc2Cl)C1 ZINC000650723522 938310829 /nfs/dbraw/zinc/31/08/29/938310829.db2.gz PNRBQSFRBBXMOG-ZMYBRWDISA-N 1 3 354.897 3.773 20 0 FHADHO CCC[N@@H+]1CCC[C@H]1CN[C@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000583646810 938336126 /nfs/dbraw/zinc/33/61/26/938336126.db2.gz MDADQIFGTMSCHU-AEFFLSMTSA-N 1 3 365.949 3.541 20 0 FHADHO CCC[N@H+]1CCC[C@H]1CN[C@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000583646810 938336131 /nfs/dbraw/zinc/33/61/31/938336131.db2.gz MDADQIFGTMSCHU-AEFFLSMTSA-N 1 3 365.949 3.541 20 0 FHADHO C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+]C[C@H](O)CN1CCC(C)CC1 ZINC000583656223 938341339 /nfs/dbraw/zinc/34/13/39/938341339.db2.gz LZJTYYLEWDLRAE-LZOLKVDOSA-N 1 3 370.459 3.791 20 0 FHADHO CN(c1ccccc1CN1CC(C)(C)[C@H]1[C@@H]1CCCO1)C1CC[NH+](C)CC1 ZINC000583665589 938348965 /nfs/dbraw/zinc/34/89/65/938348965.db2.gz FGMVTQMSXLEIMI-FCHUYYIVSA-N 1 3 371.569 3.606 20 0 FHADHO COc1ccc(CNCC2CC[NH+](CC3CC3)CC2)c(Br)c1 ZINC000657816563 938536591 /nfs/dbraw/zinc/53/65/91/938536591.db2.gz XKESYMPSYPLJAO-UHFFFAOYSA-N 1 3 367.331 3.669 20 0 FHADHO CC[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCCN1CCN(CC)CC1 ZINC000657837033 938667826 /nfs/dbraw/zinc/66/78/26/938667826.db2.gz XJVVMUBSTLLGFN-IBGZPJMESA-N 1 3 371.491 3.644 20 0 FHADHO Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CN(Cc3ccccc3)C[C@@H]2C)o1 ZINC000708539706 938814533 /nfs/dbraw/zinc/81/45/33/938814533.db2.gz DXUNRKPWMBQXSR-JXFKEZNVSA-N 1 3 364.493 3.836 20 0 FHADHO C[C@@H]1C[C@@H](NCCNC(=O)CC2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000089666747 938862698 /nfs/dbraw/zinc/86/26/98/938862698.db2.gz ZYESLCLQTNUCME-KNQAVFIVSA-N 1 3 371.569 3.716 20 0 FHADHO C[C@@H]1C[C@@H](NCCNC(=O)CC2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000089666747 938862702 /nfs/dbraw/zinc/86/27/02/938862702.db2.gz ZYESLCLQTNUCME-KNQAVFIVSA-N 1 3 371.569 3.716 20 0 FHADHO C[C@@H]1C[C@H](NCCOc2ncccc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000090408855 938873175 /nfs/dbraw/zinc/87/31/75/938873175.db2.gz NINXDVGHBJOXOQ-SJLPKXTDSA-N 1 3 359.901 3.757 20 0 FHADHO C[C@@H]1C[C@H](NCCOc2ncccc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000090408855 938873177 /nfs/dbraw/zinc/87/31/77/938873177.db2.gz NINXDVGHBJOXOQ-SJLPKXTDSA-N 1 3 359.901 3.757 20 0 FHADHO C[NH+](C)[C@H](CC(=O)NC[C@@H](c1cccs1)N1CCCC1)c1ccccc1 ZINC000431562198 938971140 /nfs/dbraw/zinc/97/11/40/938971140.db2.gz BROGSSXYHFWCSL-MOPGFXCFSA-N 1 3 371.550 3.694 20 0 FHADHO CN(Cc1ccc(Oc2ccccc2)o1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457751 938987859 /nfs/dbraw/zinc/98/78/59/938987859.db2.gz LYDJMYYISHNDKM-LJQANCHMSA-N 1 3 369.509 3.672 20 0 FHADHO Cc1n[nH]c(C)c1[C@@H]1CCCN1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000685471300 938989500 /nfs/dbraw/zinc/98/95/00/938989500.db2.gz BIGMABAEWCCVGT-NRFANRHFSA-N 1 3 368.525 3.838 20 0 FHADHO CC(C)C[C@@H](NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccccn1 ZINC000658136734 939031192 /nfs/dbraw/zinc/03/11/92/939031192.db2.gz FAHCWEMKQMNHMM-RBBKRZOGSA-N 1 3 353.510 3.525 20 0 FHADHO CC(C)C[C@@H](NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccccn1 ZINC000658136734 939031197 /nfs/dbraw/zinc/03/11/97/939031197.db2.gz FAHCWEMKQMNHMM-RBBKRZOGSA-N 1 3 353.510 3.525 20 0 FHADHO O[C@H]1CC[N@H+](Cc2ccc(CN[C@H]3CCSc4ccccc43)cc2)C1 ZINC000658142214 939036072 /nfs/dbraw/zinc/03/60/72/939036072.db2.gz DNQOUMDXGSQJNA-ICSRJNTNSA-N 1 3 354.519 3.580 20 0 FHADHO O[C@H]1CC[N@@H+](Cc2ccc(CN[C@H]3CCSc4ccccc43)cc2)C1 ZINC000658142214 939036080 /nfs/dbraw/zinc/03/60/80/939036080.db2.gz DNQOUMDXGSQJNA-ICSRJNTNSA-N 1 3 354.519 3.580 20 0 FHADHO Cc1ccc2c(c1)OCCC[C@H]2NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658138359 939042566 /nfs/dbraw/zinc/04/25/66/939042566.db2.gz JIBHULKIQFDNBH-IFMALSPDSA-N 1 3 366.505 3.565 20 0 FHADHO Cc1ccc2c(c1)OCCC[C@H]2NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658138359 939042568 /nfs/dbraw/zinc/04/25/68/939042568.db2.gz JIBHULKIQFDNBH-IFMALSPDSA-N 1 3 366.505 3.565 20 0 FHADHO COc1cc(C)ccc1[C@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658165698 939053248 /nfs/dbraw/zinc/05/32/48/939053248.db2.gz KFZPXBSKKSEJLO-SFHVURJKSA-N 1 3 353.510 3.961 20 0 FHADHO COc1ccc(CC[C@@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1 ZINC000658168359 939055781 /nfs/dbraw/zinc/05/57/81/939055781.db2.gz WHIXGSHRESEKQC-LJQANCHMSA-N 1 3 367.537 3.913 20 0 FHADHO CCCC[N@H+](C)CC1CCN([C@H](C)C(=O)N2CCCC[C@@H]2CC)CC1 ZINC000519225168 945232042 /nfs/dbraw/zinc/23/20/42/945232042.db2.gz WULDRDIGNRKCMV-QUCCMNQESA-N 1 3 351.579 3.610 20 0 FHADHO CCCC[N@@H+](C)CC1CCN([C@H](C)C(=O)N2CCCC[C@@H]2CC)CC1 ZINC000519225168 945232047 /nfs/dbraw/zinc/23/20/47/945232047.db2.gz WULDRDIGNRKCMV-QUCCMNQESA-N 1 3 351.579 3.610 20 0 FHADHO FC(F)(F)CSCC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000507472096 945257483 /nfs/dbraw/zinc/25/74/83/945257483.db2.gz QHTAFLSTIOHJJF-GVDBMIGSSA-N 1 3 358.473 3.782 20 0 FHADHO COc1cc2c(cc1CNCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)O[C@H](C)C2 ZINC000518267608 945271269 /nfs/dbraw/zinc/27/12/69/945271269.db2.gz NILCKVYUUOQGQS-FGTMMUONSA-N 1 3 360.542 3.866 20 0 FHADHO COc1cc2c(cc1CNCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)O[C@H](C)C2 ZINC000518267608 945271274 /nfs/dbraw/zinc/27/12/74/945271274.db2.gz NILCKVYUUOQGQS-FGTMMUONSA-N 1 3 360.542 3.866 20 0 FHADHO CC[C@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)c1c(C)nn(C)c1C ZINC000507493356 945277935 /nfs/dbraw/zinc/27/79/35/945277935.db2.gz HLGJFFHKWCWSKK-CLAROIROSA-N 1 3 366.553 3.988 20 0 FHADHO CC[C@@H]([NH2+]CCCN1CCCCC1)c1cc(OC)c(OC)c(OC)c1 ZINC000652135746 945309129 /nfs/dbraw/zinc/30/91/29/945309129.db2.gz ZYKTZHXRFHXCPH-QGZVFWFLSA-N 1 3 350.503 3.629 20 0 FHADHO Fc1cccc(-c2noc([C@@H]3CCC[N@H+](CCCN4CCCCC4)C3)n2)c1 ZINC000161753172 940502203 /nfs/dbraw/zinc/50/22/03/940502203.db2.gz QTTGVXIGXJUGFA-GOSISDBHSA-N 1 3 372.488 3.931 20 0 FHADHO Fc1cccc(-c2noc([C@@H]3CCC[N@@H+](CCCN4CCCCC4)C3)n2)c1 ZINC000161753172 940502204 /nfs/dbraw/zinc/50/22/04/940502204.db2.gz QTTGVXIGXJUGFA-GOSISDBHSA-N 1 3 372.488 3.931 20 0 FHADHO CO[C@H]1c2ccccc2C[C@H]1N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000414219499 940787294 /nfs/dbraw/zinc/78/72/94/940787294.db2.gz HMVXLJXPKQDFEX-TZMOSPSESA-N 1 3 350.506 3.942 20 0 FHADHO CO[C@H]1c2ccccc2C[C@H]1N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000414219499 940787296 /nfs/dbraw/zinc/78/72/96/940787296.db2.gz HMVXLJXPKQDFEX-TZMOSPSESA-N 1 3 350.506 3.942 20 0 FHADHO CN1CC[C@]2(C1)CCC[N@H+](Cc1ccc(OCc3cccnc3)cc1)C2 ZINC000660660985 945365673 /nfs/dbraw/zinc/36/56/73/945365673.db2.gz YCAICQKBDVOVEV-QFIPXVFZSA-N 1 3 351.494 3.578 20 0 FHADHO CN1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(OCc3cccnc3)cc1)C2 ZINC000660660985 945365686 /nfs/dbraw/zinc/36/56/86/945365686.db2.gz YCAICQKBDVOVEV-QFIPXVFZSA-N 1 3 351.494 3.578 20 0 FHADHO CC(C)C[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1ccccn1 ZINC000414310957 940941816 /nfs/dbraw/zinc/94/18/16/940941816.db2.gz ULDRCUKPVJHTFS-QFIPXVFZSA-N 1 3 367.537 3.786 20 0 FHADHO OC1(C[NH2+][C@@H](c2cccnc2)C2CCC2)CCN(Cc2ccccc2)CC1 ZINC000414313306 940946077 /nfs/dbraw/zinc/94/60/77/940946077.db2.gz YCYXUEYZWYWAIX-JOCHJYFZSA-N 1 3 365.521 3.540 20 0 FHADHO COc1ccc([C@@H](C)[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)c(C)c1 ZINC000414313918 940947533 /nfs/dbraw/zinc/94/75/33/940947533.db2.gz YZOKMTKBVVZSAF-LJQANCHMSA-N 1 3 368.521 3.681 20 0 FHADHO CN(C)[C@@H](CNC(=O)C[NH2+][C@H](c1ccccc1)C(C)(C)C)c1ccccc1 ZINC001167698715 941029654 /nfs/dbraw/zinc/02/96/54/941029654.db2.gz BQKMVKPCKHUTTB-RBBKRZOGSA-N 1 3 367.537 3.783 20 0 FHADHO CN(CCSc1ccccc1F)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177260093 941111907 /nfs/dbraw/zinc/11/19/07/941111907.db2.gz VIKZLWMGPDTPLC-UHFFFAOYSA-N 1 3 373.541 3.952 20 0 FHADHO Cn1cc(C[NH2+]C[C@]2(C)CCN(Cc3ccccc3)C2)c(C(C)(C)C)n1 ZINC000311429619 941288892 /nfs/dbraw/zinc/28/88/92/941288892.db2.gz GSABDXLCSRPKIS-QFIPXVFZSA-N 1 3 354.542 3.719 20 0 FHADHO C[C@H]([NH2+]C[C@@H]1OCCc2ccccc21)[C@H]1CCN(Cc2ccccc2)C1 ZINC000311781893 941321779 /nfs/dbraw/zinc/32/17/79/941321779.db2.gz HYVGBOZNIOPYES-HARLFGEKSA-N 1 3 350.506 3.801 20 0 FHADHO C[C@H](NC[C@@H]1OCCc2ccccc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311781893 941321783 /nfs/dbraw/zinc/32/17/83/941321783.db2.gz HYVGBOZNIOPYES-HARLFGEKSA-N 1 3 350.506 3.801 20 0 FHADHO C[C@H](NC[C@@H]1OCCc2ccccc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311781893 941321789 /nfs/dbraw/zinc/32/17/89/941321789.db2.gz HYVGBOZNIOPYES-HARLFGEKSA-N 1 3 350.506 3.801 20 0 FHADHO O[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1ccccc1F ZINC000180112155 941352358 /nfs/dbraw/zinc/35/23/58/941352358.db2.gz MFBKMTLBIIINQM-SOUXKNCUSA-N 1 3 354.469 3.644 20 0 FHADHO CCOC(=O)[C@H]1CC[C@@H]([NH2+]CCCN2CCC(C)CC2)c2ccccc21 ZINC000549142706 941522525 /nfs/dbraw/zinc/52/25/25/941522525.db2.gz XOLCAYVUANCKCH-LEWJYISDSA-N 1 3 358.526 3.880 20 0 FHADHO CN1CCCC[C@@H]1CC[NH+]1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000472691843 941584363 /nfs/dbraw/zinc/58/43/63/941584363.db2.gz QKFUNGKXRAAFRD-LJQANCHMSA-N 1 3 353.514 3.526 20 0 FHADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(Cc2ccc(-c3ccccc3F)o2)CC1 ZINC000415120392 941616321 /nfs/dbraw/zinc/61/63/21/941616321.db2.gz FWNJRNGLKSXXTP-PZJWPPBQSA-N 1 3 358.457 3.804 20 0 FHADHO CC[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(F)cc1 ZINC000472770653 941731033 /nfs/dbraw/zinc/73/10/33/941731033.db2.gz MKBMZRDCZRWIBJ-HJNYFJLDSA-N 1 3 356.485 3.749 20 0 FHADHO CC[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(F)cc1 ZINC000472770653 941731035 /nfs/dbraw/zinc/73/10/35/941731035.db2.gz MKBMZRDCZRWIBJ-HJNYFJLDSA-N 1 3 356.485 3.749 20 0 FHADHO C[C@H](c1ccccc1)N1CCC([NH2+]Cc2cnc(C3OCCO3)s2)CC1 ZINC000377652411 941871106 /nfs/dbraw/zinc/87/11/06/941871106.db2.gz KRSUBMFDMPUITO-OAHLLOKOSA-N 1 3 373.522 3.504 20 0 FHADHO C[C@@H]1CN(CC2CC[NH+](C[C@H]3CCC4(CCCCC4)O3)CC2)C[C@@H](C)O1 ZINC000467194837 941898656 /nfs/dbraw/zinc/89/86/56/941898656.db2.gz DNGFAORTFVQYCZ-SFHLNBCPSA-N 1 3 364.574 3.690 20 0 FHADHO C[C@@H]1C[C@H](CCNCc2nc3ccccc3n2C)C[N@@H+]1Cc1ccccc1 ZINC000513543933 942004591 /nfs/dbraw/zinc/00/45/91/942004591.db2.gz BCIIBOSDGFFBEP-QUCCMNQESA-N 1 3 362.521 3.964 20 0 FHADHO C[C@@H]1C[C@H](CCNCc2nc3ccccc3n2C)C[N@H+]1Cc1ccccc1 ZINC000513543933 942004594 /nfs/dbraw/zinc/00/45/94/942004594.db2.gz BCIIBOSDGFFBEP-QUCCMNQESA-N 1 3 362.521 3.964 20 0 FHADHO CC[NH2+]Cc1cccc(NC(=O)N[C@H](CN2CCCC2)c2ccccc2)c1 ZINC000415904303 942130623 /nfs/dbraw/zinc/13/06/23/942130623.db2.gz ALTXZKAXUYZDTA-OAQYLSRUSA-N 1 3 366.509 3.755 20 0 FHADHO CCN(C(=O)Nc1ccccc1C[NH2+]C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000415917386 942141478 /nfs/dbraw/zinc/14/14/78/942141478.db2.gz DDCOFBHGPPUUHT-FQEVSTJZSA-N 1 3 366.509 3.534 20 0 FHADHO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)Nc1ccc2c(c1)CNC2 ZINC000415988764 942230631 /nfs/dbraw/zinc/23/06/31/942230631.db2.gz DIFLLVHMEIPVTM-UHFFFAOYSA-N 1 3 366.509 3.666 20 0 FHADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)Nc2ccc3c(c2)CNC3)CC1 ZINC000415999230 942249937 /nfs/dbraw/zinc/24/99/37/942249937.db2.gz VADKAPKKYSCVCU-QGZVFWFLSA-N 1 3 370.541 3.798 20 0 FHADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)Nc2ccc3c(c2)CNC3)CC1 ZINC000415999230 942249942 /nfs/dbraw/zinc/24/99/42/942249942.db2.gz VADKAPKKYSCVCU-QGZVFWFLSA-N 1 3 370.541 3.798 20 0 FHADHO CC(C)C[N@H+](CCCN1CCN(C(C)C)CC1)[C@@H]1CCCc2cccnc21 ZINC000501054190 942280477 /nfs/dbraw/zinc/28/04/77/942280477.db2.gz WWGAIJZEVLPVRR-JOCHJYFZSA-N 1 3 372.601 3.833 20 0 FHADHO CC(C)C[N@@H+](CCCN1CCN(C(C)C)CC1)[C@@H]1CCCc2cccnc21 ZINC000501054190 942280478 /nfs/dbraw/zinc/28/04/78/942280478.db2.gz WWGAIJZEVLPVRR-JOCHJYFZSA-N 1 3 372.601 3.833 20 0 FHADHO CCN1CCC([N@@H+]2CCCN(Cc3ccc(C(F)F)cc3)CC2)CC1 ZINC000420978702 942288868 /nfs/dbraw/zinc/28/88/68/942288868.db2.gz JPKVGEUDSVSGSO-UHFFFAOYSA-N 1 3 351.485 3.616 20 0 FHADHO CCN1CCC([N@H+]2CCCN(Cc3ccc(C(F)F)cc3)CC2)CC1 ZINC000420978702 942288869 /nfs/dbraw/zinc/28/88/69/942288869.db2.gz JPKVGEUDSVSGSO-UHFFFAOYSA-N 1 3 351.485 3.616 20 0 FHADHO C[C@@H]1CN(CC2CC[NH+](CCSC3CCCCC3)CC2)C[C@H](C)O1 ZINC000501154889 942328509 /nfs/dbraw/zinc/32/85/09/942328509.db2.gz QYKZJJOPJMXIRQ-HDICACEKSA-N 1 3 354.604 3.874 20 0 FHADHO COc1cc(C)c(C[C@@H](C)[NH2+]C2CCN(C3CCCC3)CC2)cc1OC ZINC000502285300 942333056 /nfs/dbraw/zinc/33/30/56/942333056.db2.gz IQOCUBSUVMTTPS-QGZVFWFLSA-N 1 3 360.542 3.940 20 0 FHADHO COc1cc(C)c(C[C@@H](C)N[C@H]2CC[N@H+](CC3CCCC3)C2)cc1OC ZINC000502292508 942336846 /nfs/dbraw/zinc/33/68/46/942336846.db2.gz XEMFHKGMQBKXNO-XLIONFOSSA-N 1 3 360.542 3.797 20 0 FHADHO COc1cc(C)c(C[C@@H](C)N[C@H]2CC[N@@H+](CC3CCCC3)C2)cc1OC ZINC000502292508 942336851 /nfs/dbraw/zinc/33/68/51/942336851.db2.gz XEMFHKGMQBKXNO-XLIONFOSSA-N 1 3 360.542 3.797 20 0 FHADHO Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC[C@H](CC[NH3+])C2)cc1 ZINC000420301808 942611774 /nfs/dbraw/zinc/61/17/74/942611774.db2.gz AZPUBNFRYBIPJA-WIYYLYMNSA-N 1 3 351.494 3.736 20 0 FHADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2sc3ccccc3c2Cl)CC1 ZINC000420319927 942621303 /nfs/dbraw/zinc/62/13/03/942621303.db2.gz AZYXVFYOCFTXEV-KDOFPFPSSA-N 1 3 350.915 3.883 20 0 FHADHO C[C@H](c1ccccc1Br)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420378293 942646338 /nfs/dbraw/zinc/64/63/38/942646338.db2.gz LZCCMUIPEYCLMB-XWIAVFTESA-N 1 3 367.331 3.728 20 0 FHADHO O=C(CCN1CCCC[C@@H]1[C@H]1CC[NH2+]C1)Nc1c(Cl)cccc1Cl ZINC000420377981 942646363 /nfs/dbraw/zinc/64/63/63/942646363.db2.gz AUYQRAZDUVQXGK-XJKSGUPXSA-N 1 3 370.324 3.786 20 0 FHADHO C[C@@H]1CCN(CCC(=O)Nc2ccccc2Oc2ccccc2)C[C@H]1C[NH3+] ZINC000420407710 942664194 /nfs/dbraw/zinc/66/41/94/942664194.db2.gz OOCOKSFWDAXBOQ-QZTJIDSGSA-N 1 3 367.493 3.724 20 0 FHADHO COc1ccc([C@@H](C)NCc2cccc(OCC[NH+](C)C)c2)c(C)c1OC ZINC000514106550 942749856 /nfs/dbraw/zinc/74/98/56/942749856.db2.gz ZHXBUKOVJFUMOR-QGZVFWFLSA-N 1 3 372.509 3.803 20 0 FHADHO CC[NH+](CC)CCCC1CCN(C[C@@H](O)c2ccc(F)cc2F)CC1 ZINC000182769320 942785481 /nfs/dbraw/zinc/78/54/81/942785481.db2.gz BZGWEXZPKRKESK-HXUWFJFHSA-N 1 3 354.485 3.832 20 0 FHADHO COc1ccc([C@H](C)[NH2+][C@H]2CCc3c[nH]nc3C2)cc1CN1CCCCC1 ZINC000378512194 942846263 /nfs/dbraw/zinc/84/62/63/942846263.db2.gz JVFDUYQVRZHCPC-JXFKEZNVSA-N 1 3 368.525 3.612 20 0 FHADHO COc1ccc([C@@H](C)[NH2+][C@@H]2CCc3c[nH]nc3C2)cc1CN1CCCCC1 ZINC000378512199 942846274 /nfs/dbraw/zinc/84/62/74/942846274.db2.gz JVFDUYQVRZHCPC-OXQOHEQNSA-N 1 3 368.525 3.612 20 0 FHADHO C[NH2+][C@H](C)Cc1noc(-c2cccc(CN(C)Cc3ccccc3)c2)n1 ZINC000414652383 943104348 /nfs/dbraw/zinc/10/43/48/943104348.db2.gz WLJYCXBHBCETFX-MRXNPFEDSA-N 1 3 350.466 3.519 20 0 FHADHO C[N@@H+](Cc1ccc(-c2cc[nH]n2)o1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000435125163 943180159 /nfs/dbraw/zinc/18/01/59/943180159.db2.gz VWRULHHIAVHALG-GOSISDBHSA-N 1 3 350.466 3.624 20 0 FHADHO C[N@H+](Cc1ccc(-c2cc[nH]n2)o1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000435125163 943180163 /nfs/dbraw/zinc/18/01/63/943180163.db2.gz VWRULHHIAVHALG-GOSISDBHSA-N 1 3 350.466 3.624 20 0 FHADHO CC(C)CC(=O)Nc1cccc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)N)c1 ZINC000422724019 943259153 /nfs/dbraw/zinc/25/91/53/943259153.db2.gz UBHXOGMFEZEIFM-UTKZUKDTSA-N 1 3 353.510 3.719 20 0 FHADHO C[C@H]1CC[NH2+]C[C@H]1NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000422726339 943260358 /nfs/dbraw/zinc/26/03/58/943260358.db2.gz DQBSBCJIIQFHAO-SCLBCKFNSA-N 1 3 356.341 3.545 20 0 FHADHO COc1ccccc1[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)N1CCCC1 ZINC000422744047 943267729 /nfs/dbraw/zinc/26/77/29/943267729.db2.gz JRAUGNUAQDXQPF-ZDFPQIBNSA-N 1 3 371.569 3.733 20 0 FHADHO COc1ccccc1[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)N1CCCC1 ZINC000422744045 943268165 /nfs/dbraw/zinc/26/81/65/943268165.db2.gz JRAUGNUAQDXQPF-PDGJWGCVSA-N 1 3 371.569 3.733 20 0 FHADHO CCOC(=O)C1([C@@H](C)N[C@H](C)c2cc(Cl)ccc2Cl)CC[NH2+]CC1 ZINC000422776083 943278419 /nfs/dbraw/zinc/27/84/19/943278419.db2.gz CEKFSGAISUHETL-CHWSQXEVSA-N 1 3 373.324 3.965 20 0 FHADHO CO[C@H](CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(Cl)cc1 ZINC000422795078 943285562 /nfs/dbraw/zinc/28/55/62/943285562.db2.gz ZPTKTPBREHUYED-CEWLAPEOSA-N 1 3 372.896 3.873 20 0 FHADHO OC[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)Cc1c(F)cccc1Cl ZINC000422799298 943287858 /nfs/dbraw/zinc/28/78/58/943287858.db2.gz WBJGIDHIKPCWRP-HZVDNRATSA-N 1 3 368.924 3.531 20 0 FHADHO CCN(CC)[C@H](C[NH2+][C@@H](C)c1ccc(CN)nc1C)c1cccc(OC)c1 ZINC000422800036 943288031 /nfs/dbraw/zinc/28/80/31/943288031.db2.gz ZEYFOIYGEPVSOY-KSFYIVLOSA-N 1 3 370.541 3.591 20 0 FHADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000422810661 943291719 /nfs/dbraw/zinc/29/17/19/943291719.db2.gz UNXLNTRNYDYECB-ZIAGYGMSSA-N 1 3 352.482 3.609 20 0 FHADHO Cc1ccc([C@H](C[NH2+][C@@H](C)c2ccc(CN)nc2C)N2CCCC2)cc1 ZINC000422828584 943298018 /nfs/dbraw/zinc/29/80/18/943298018.db2.gz OIPICVJXLXQACQ-JTSKRJEESA-N 1 3 352.526 3.645 20 0 FHADHO COc1ccc(Cl)cc1NC(=O)CCN[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000422830657 943298903 /nfs/dbraw/zinc/29/89/03/943298903.db2.gz WAPMBPLCCAPXQT-ZBFHGGJFSA-N 1 3 367.921 3.578 20 0 FHADHO Cc1cc(C)n(-c2ccc(CC[NH2+][C@@H](C)c3ccc(CN)nc3C)cc2)n1 ZINC000422857860 943308055 /nfs/dbraw/zinc/30/80/55/943308055.db2.gz IENQGSDSPWEZAI-KRWDZBQOSA-N 1 3 363.509 3.545 20 0 FHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000422844143 943312363 /nfs/dbraw/zinc/31/23/63/943312363.db2.gz KYFJBPQDARIYLK-YCRPNKLZSA-N 1 3 372.944 3.990 20 0 FHADHO C[C@@H](NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1cnccc1N ZINC000422880443 943314907 /nfs/dbraw/zinc/31/49/07/943314907.db2.gz LWVMFCVGOJSVRW-FGTMMUONSA-N 1 3 352.526 3.823 20 0 FHADHO C[C@@H](NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1cnccc1N ZINC000422880443 943314909 /nfs/dbraw/zinc/31/49/09/943314909.db2.gz LWVMFCVGOJSVRW-FGTMMUONSA-N 1 3 352.526 3.823 20 0 FHADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000422873648 943323015 /nfs/dbraw/zinc/32/30/15/943323015.db2.gz AWLLWZATLOGUCF-KGLIPLIRSA-N 1 3 367.497 3.544 20 0 FHADHO Cc1cc(C)n(-c2ccc(CN[C@@H]3CCC[C@H]3C[NH3+])c(C(F)(F)F)c2)n1 ZINC000422897991 943323824 /nfs/dbraw/zinc/32/38/24/943323824.db2.gz DEHDQLFRZWJRJU-KBXCAEBGSA-N 1 3 366.431 3.725 20 0 FHADHO Clc1cccc(OCCN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422935751 943337868 /nfs/dbraw/zinc/33/78/68/943337868.db2.gz DNGYXISCDZPICL-UYAOXDASSA-N 1 3 358.869 3.564 20 0 FHADHO Cc1cc(CN[C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])ccc1Oc1ccc(F)cc1 ZINC000422952916 943348014 /nfs/dbraw/zinc/34/80/14/943348014.db2.gz CPXYVHDBXZGGLA-UIAACRFSSA-N 1 3 358.457 3.768 20 0 FHADHO Cc1nc(C[NH3+])ccc1[C@@H](C)Nc1cccc(CN2CCSCC2)c1 ZINC000422953136 943348165 /nfs/dbraw/zinc/34/81/65/943348165.db2.gz DHYMFPFEJFVYCF-OAHLLOKOSA-N 1 3 356.539 3.571 20 0 FHADHO c1cc(CN2CCSCC2)cc(N[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000422957657 943350259 /nfs/dbraw/zinc/35/02/59/943350259.db2.gz USUWDLWTOORVKU-PCCBWWKXSA-N 1 3 359.583 3.958 20 0 FHADHO CCN(CC)[C@H](CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccco1 ZINC000422973354 943355295 /nfs/dbraw/zinc/35/52/95/943355295.db2.gz ODNDUMBGBFUGQW-JQVVWYNYSA-N 1 3 369.509 3.508 20 0 FHADHO COc1cc(CN2CCC([C@H]3CCC[NH2+]3)CC2)ccc1OCC(F)(F)F ZINC000435374230 943355933 /nfs/dbraw/zinc/35/59/33/943355933.db2.gz WYCXMOZGTJVXQS-MRXNPFEDSA-N 1 3 372.431 3.600 20 0 FHADHO Clc1ccc(COCCN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422996889 943359558 /nfs/dbraw/zinc/35/95/58/943359558.db2.gz AEGOXOPZPMSMRR-CTNGQTDRSA-N 1 3 372.896 3.702 20 0 FHADHO CN(Cc1ccco1)Cc1ccccc1CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423003291 943361718 /nfs/dbraw/zinc/36/17/18/943361718.db2.gz HHFBAHLYJCOTLU-YTFSRNRJSA-N 1 3 367.537 3.922 20 0 FHADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCc1ccc(Sc2ccc(F)cc2)cc1 ZINC000423012482 943364258 /nfs/dbraw/zinc/36/42/58/943364258.db2.gz DEIBXOVLVUNLQB-KPOBHBOGSA-N 1 3 360.498 3.819 20 0 FHADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCCc1nc(-c2ccc(F)cc2)no1 ZINC000423026657 943370773 /nfs/dbraw/zinc/37/07/73/943370773.db2.gz BUBCDJATCLZCGR-MAUKXSAKSA-N 1 3 360.477 3.709 20 0 FHADHO C[C@@H]([NH3+])C[C@H](C)NCCOc1ccc(Br)cc1C(F)(F)F ZINC000423030791 943371396 /nfs/dbraw/zinc/37/13/96/943371396.db2.gz WHQZASZUVFNDNP-ZJUUUORDSA-N 1 3 369.225 3.562 20 0 FHADHO Cc1cc(CN2CCC[C@@H]([C@H](C)[NH3+])C2)cc(C)c1OCc1ccccn1 ZINC000435387358 943374513 /nfs/dbraw/zinc/37/45/13/943374513.db2.gz ZWIVIXUBVPNAKJ-AZUAARDMSA-N 1 3 353.510 3.837 20 0 FHADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCC1(c2c(Cl)cccc2Cl)CCC1 ZINC000423084190 943388016 /nfs/dbraw/zinc/38/80/16/943388016.db2.gz HPDAYGAOGHEUNE-HEHGZKQESA-N 1 3 357.325 3.757 20 0 FHADHO CSCc1ccc(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000423100469 943394047 /nfs/dbraw/zinc/39/40/47/943394047.db2.gz BTWXHLLROSYVMU-FPOVZHCZSA-N 1 3 354.519 3.895 20 0 FHADHO CSc1ccc([C@H](C[NH2+][C@@H](Cc2ccccc2)[C@H](C)N)N(C)C)cc1 ZINC000423146194 943407469 /nfs/dbraw/zinc/40/74/69/943407469.db2.gz OLHLCGOPZZZIBA-NDXORKPFSA-N 1 3 357.567 3.559 20 0 FHADHO CSc1ccc([C@H](CN[C@@H](Cc2ccccc2)[C@H](C)[NH3+])N(C)C)cc1 ZINC000423146194 943407473 /nfs/dbraw/zinc/40/74/73/943407473.db2.gz OLHLCGOPZZZIBA-NDXORKPFSA-N 1 3 357.567 3.559 20 0 FHADHO C[C@H](N[C@@H]1CCCC[C@@H]1C[NH3+])c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000423285166 943464204 /nfs/dbraw/zinc/46/42/04/943464204.db2.gz XSRCWWDMZCJMLP-ZNWBIBPKSA-N 1 3 364.505 3.942 20 0 FHADHO Cc1nc(C)c([C@H](C)[NH2+][C@@H]2CNCC[C@H]2c2ccc(F)c(F)c2)s1 ZINC000423381327 943496397 /nfs/dbraw/zinc/49/63/97/943496397.db2.gz ZHQJNPWKQSDYGC-PZSREKOKSA-N 1 3 351.466 3.834 20 0 FHADHO COC[C@]1(C[NH2+][C@H]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)CCCN1 ZINC000423420451 943505081 /nfs/dbraw/zinc/50/50/81/943505081.db2.gz XEACYTAVPHAHGQ-BPQIPLTHSA-N 1 3 356.432 3.700 20 0 FHADHO C[C@@H]1C[NH2+]CC[C@@H]1N[C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000423403842 943507651 /nfs/dbraw/zinc/50/76/51/943507651.db2.gz SGKOSHGWGZIODC-PJQXDXOGSA-N 1 3 362.315 3.895 20 0 FHADHO C[C@@H](c1ccc2ccccc2c1)[N@H+](C[C@H]1CCCN(C(=O)CN)C1)C1CC1 ZINC000414743363 943514251 /nfs/dbraw/zinc/51/42/51/943514251.db2.gz ITBOGRKRXCUVIQ-ROUUACIJSA-N 1 3 365.521 3.563 20 0 FHADHO C[C@@H](c1ccc2ccccc2c1)[N@@H+](C[C@H]1CCCN(C(=O)CN)C1)C1CC1 ZINC000414743363 943514257 /nfs/dbraw/zinc/51/42/57/943514257.db2.gz ITBOGRKRXCUVIQ-ROUUACIJSA-N 1 3 365.521 3.563 20 0 FHADHO Cc1c([C@H](C)NC[C@H]2CC[C@H](C[NH3+])CC2)nnn1-c1cccc(Cl)c1 ZINC000423434948 943518541 /nfs/dbraw/zinc/51/85/41/943518541.db2.gz YRKXUMAVTVRHPL-BPUTZDHNSA-N 1 3 361.921 3.645 20 0 FHADHO CCC[NH+]1CCN(c2ccccc2CN2CCC[C@H]2c2ccc[nH]2)CC1 ZINC000435769086 943600339 /nfs/dbraw/zinc/60/03/39/943600339.db2.gz UFGYMPROGNBTPQ-QFIPXVFZSA-N 1 3 352.526 3.884 20 0 FHADHO CCOc1cc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)ccc1OCC(F)(F)F ZINC000584839581 943737623 /nfs/dbraw/zinc/73/76/23/943737623.db2.gz RCWBKOCHDGVUAY-XHSDSOJGSA-N 1 3 372.431 3.586 20 0 FHADHO CCOc1cc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)ccc1OCC(F)(F)F ZINC000584839578 943737819 /nfs/dbraw/zinc/73/78/19/943737819.db2.gz RCWBKOCHDGVUAY-ARFHVFGLSA-N 1 3 372.431 3.586 20 0 FHADHO CCN1CC[C@H]([NH2+]CC[C@@H]2CCCCN2C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000549475063 943741805 /nfs/dbraw/zinc/74/18/05/943741805.db2.gz CEINWNYWAPYGCX-QSFXBCCZSA-N 1 3 369.475 3.703 20 0 FHADHO [NH3+]C[C@@H]1CN(Cc2cccc(Oc3ccccc3)c2)CC12CCOCC2 ZINC000414776898 943770021 /nfs/dbraw/zinc/77/00/21/943770021.db2.gz DTVSGTUACNGESS-LJQANCHMSA-N 1 3 352.478 3.666 20 0 FHADHO [NH3+]C[C@H]1CN(Cc2cccc(Oc3ccccc3)c2)CC12CCOCC2 ZINC000414776895 943770078 /nfs/dbraw/zinc/77/00/78/943770078.db2.gz DTVSGTUACNGESS-IBGZPJMESA-N 1 3 352.478 3.666 20 0 FHADHO CCN(C(=O)Nc1cc(C)cc(C[NH3+])c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000424426112 943922168 /nfs/dbraw/zinc/92/21/68/943922168.db2.gz LJPSJECIULDUEH-OAQYLSRUSA-N 1 3 366.509 3.582 20 0 FHADHO Cc1cc(C[NH3+])cc(NC(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)c1 ZINC000424429919 943925887 /nfs/dbraw/zinc/92/58/87/943925887.db2.gz YNMWRTLOZWYGHB-GOSISDBHSA-N 1 3 360.889 3.532 20 0 FHADHO C[NH+](C)CCCOc1ccc(CNCc2cc3c(cccc3F)[nH]2)cc1 ZINC000436244272 944130923 /nfs/dbraw/zinc/13/09/23/944130923.db2.gz ZQWKFUJRCVKNEK-UHFFFAOYSA-N 1 3 355.457 3.927 20 0 FHADHO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1CCCN1C1CCCCC1 ZINC000436293355 944179003 /nfs/dbraw/zinc/17/90/03/944179003.db2.gz MJZYSIOUEZIURE-UEVCKROQSA-N 1 3 370.585 3.679 20 0 FHADHO C[C@H](C[NH2+]C1CCN(CCc2ccc(F)cc2)CC1)N1CCCC[C@@H]1C ZINC000518426208 944370765 /nfs/dbraw/zinc/37/07/65/944370765.db2.gz CBHPDSZNSOXWKC-RBUKOAKNSA-N 1 3 361.549 3.685 20 0 FHADHO Cc1cc(C)cc(NC(=[NH2+])NC[C@@H]2CCCN(Cc3cccnc3)C2)c1 ZINC000364372334 944492222 /nfs/dbraw/zinc/49/22/22/944492222.db2.gz CFBWRIBMPGOBKH-IBGZPJMESA-N 1 3 351.498 3.547 20 0 FHADHO CC[C@@H](N)C[NH2+][C@@H](C)COc1ccc2cc(Br)ccc2c1 ZINC000414994236 944520147 /nfs/dbraw/zinc/52/01/47/944520147.db2.gz UPAHVLWLGQELQC-BLLLJJGKSA-N 1 3 351.288 3.697 20 0 FHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H]1OCCc2ccccc21 ZINC000398156359 944530043 /nfs/dbraw/zinc/53/00/43/944530043.db2.gz QUYWCLKWRYURLN-LEOXJPRUSA-N 1 3 350.506 3.801 20 0 FHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H]1OCCc2ccccc21 ZINC000398156359 944530046 /nfs/dbraw/zinc/53/00/46/944530046.db2.gz QUYWCLKWRYURLN-LEOXJPRUSA-N 1 3 350.506 3.801 20 0 FHADHO COc1ccc(CC[C@H](C)[NH2+][C@@H](C)[C@H]2CCCN(C3CCC3)C2)cc1O ZINC000426356092 944544710 /nfs/dbraw/zinc/54/47/10/944544710.db2.gz HBHIYFATYDRWOK-LNLFQRSKSA-N 1 3 360.542 3.965 20 0 FHADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NC[C@H]3Cc4ccccc4N(C)C3)CC2)C1 ZINC000437097259 945016249 /nfs/dbraw/zinc/01/62/49/945016249.db2.gz PDJJNWKJZDTZNU-WOIUINJBSA-N 1 3 355.570 3.928 20 0 FHADHO COC(=O)[C@@H]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)[C@H]1c1ccccc1 ZINC001167986532 945385760 /nfs/dbraw/zinc/38/57/60/945385760.db2.gz GOCWJMTYSGLSOF-UWFUTDFQSA-N 1 3 368.521 3.628 20 0 FHADHO COC(=O)[C@@H]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)[C@H]1c1ccccc1 ZINC001167986532 945385771 /nfs/dbraw/zinc/38/57/71/945385771.db2.gz GOCWJMTYSGLSOF-UWFUTDFQSA-N 1 3 368.521 3.628 20 0 FHADHO CCc1ccc([C@@H](CNC(=O)Nc2cccc(C[NH+](C)C)c2)N(C)C)cc1 ZINC000044292013 945586292 /nfs/dbraw/zinc/58/62/92/945586292.db2.gz HJHAMTGBVDRBGS-OAQYLSRUSA-N 1 3 368.525 3.735 20 0 FHADHO C[C@@H](NCCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(-c2ccccc2)cn1 ZINC000651714145 945746562 /nfs/dbraw/zinc/74/65/62/945746562.db2.gz RGXOZWLEGJYABA-WIYYLYMNSA-N 1 3 353.510 3.636 20 0 FHADHO C[C@@H](NCCCC[N@H+]1CCC[C@@H]1CO)c1ccc(-c2ccccc2)cn1 ZINC000651714145 945746567 /nfs/dbraw/zinc/74/65/67/945746567.db2.gz RGXOZWLEGJYABA-WIYYLYMNSA-N 1 3 353.510 3.636 20 0 FHADHO Cc1nc(-c2ccccc2)oc1CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000639509268 946001740 /nfs/dbraw/zinc/00/17/40/946001740.db2.gz XYEAWTSSYHZVTK-UHFFFAOYSA-N 1 3 369.509 3.727 20 0 FHADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C[C@@H]2NCc3ccccc32)CC1 ZINC000662825197 946075148 /nfs/dbraw/zinc/07/51/48/946075148.db2.gz FJCBFQKSRBRKSG-AVRDEDQJSA-N 1 3 369.553 3.724 20 0 FHADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)C[C@@H]2NCc3ccccc32)CC1 ZINC000662825197 946075157 /nfs/dbraw/zinc/07/51/57/946075157.db2.gz FJCBFQKSRBRKSG-AVRDEDQJSA-N 1 3 369.553 3.724 20 0 FHADHO COc1cc(Br)ccc1CCCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000248445677 946344769 /nfs/dbraw/zinc/34/47/69/946344769.db2.gz CFTSCLKORCXRNO-IRXDYDNUSA-N 1 3 367.331 3.607 20 0 FHADHO COc1cc(Br)ccc1CCCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000248445677 946344781 /nfs/dbraw/zinc/34/47/81/946344781.db2.gz CFTSCLKORCXRNO-IRXDYDNUSA-N 1 3 367.331 3.607 20 0 FHADHO C[NH+](C)C[C@](C)(O)CNc1ccnc2ccc(Oc3ccccc3)cc21 ZINC000302861972 946355553 /nfs/dbraw/zinc/35/55/53/946355553.db2.gz VSPUNSZOOXVEMG-OAQYLSRUSA-N 1 3 351.450 3.752 20 0 FHADHO CN1CCN(CC[NH2+]Cc2cccc(Oc3ccccc3)c2)CC1(C)C ZINC000441335505 946442515 /nfs/dbraw/zinc/44/25/15/946442515.db2.gz QLHPENYYSDKMBX-UHFFFAOYSA-N 1 3 353.510 3.595 20 0 FHADHO Cc1ccc([C@H]2CCC[C@H]2N(C)CC(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000441359566 946484912 /nfs/dbraw/zinc/48/49/12/946484912.db2.gz RRGXITAVODVJKX-FGZHOGPDSA-N 1 3 371.569 3.552 20 0 FHADHO CCC(=O)N(C)C1CCN([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168057372 946558151 /nfs/dbraw/zinc/55/81/51/946558151.db2.gz MQZHPOMRHMQTRH-HATOLVCRSA-N 1 3 371.569 3.761 20 0 FHADHO CCC(=O)N(C)C1CCN([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168057372 946558157 /nfs/dbraw/zinc/55/81/57/946558157.db2.gz MQZHPOMRHMQTRH-HATOLVCRSA-N 1 3 371.569 3.761 20 0 FHADHO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H]2CN2CCCC2)C[C@H](C)N1Cc1ccccc1 ZINC001168059327 946670436 /nfs/dbraw/zinc/67/04/36/946670436.db2.gz DNFSGCUWVCAEDL-IRMYBRCSSA-N 1 3 355.570 3.988 20 0 FHADHO C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H]2CN2CCCC2)C[C@H](C)N1Cc1ccccc1 ZINC001168059327 946670440 /nfs/dbraw/zinc/67/04/40/946670440.db2.gz DNFSGCUWVCAEDL-IRMYBRCSSA-N 1 3 355.570 3.988 20 0 FHADHO C[C@H]1CC(N2CC[C@H](Oc3ccccn3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168060271 946780267 /nfs/dbraw/zinc/78/02/67/946780267.db2.gz WGHITPSXNXLXIN-IPJJNNNSSA-N 1 3 365.521 3.976 20 0 FHADHO COc1ccc(-c2nc(CN3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)co2)cc1 ZINC000647976649 946889192 /nfs/dbraw/zinc/88/91/92/946889192.db2.gz RNWHXJAERJSXIR-ZWKOTPCHSA-N 1 3 355.482 3.562 20 0 FHADHO C(C[NH+]1CCCCC1)N1CCN(CCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000523017397 946903941 /nfs/dbraw/zinc/90/39/41/946903941.db2.gz OQCLARZTRGWMKE-UHFFFAOYSA-N 1 3 359.602 3.696 20 0 FHADHO C[C@@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000824955303 947003754 /nfs/dbraw/zinc/00/37/54/947003754.db2.gz NWTIDLOVVYNFQS-PBPGXSGUSA-N 1 3 368.529 3.560 20 0 FHADHO C[C@@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824955303 947003765 /nfs/dbraw/zinc/00/37/65/947003765.db2.gz NWTIDLOVVYNFQS-PBPGXSGUSA-N 1 3 368.529 3.560 20 0 FHADHO Cc1noc([C@@H]2CCN(C3C[C@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)C2)n1 ZINC001168064609 947066839 /nfs/dbraw/zinc/06/68/39/947066839.db2.gz QRIFZMCXXRUBGW-TXPKVOOTSA-N 1 3 354.498 3.609 20 0 FHADHO CC1(C)CN(CCOCC(F)F)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000663218721 947446714 /nfs/dbraw/zinc/44/67/14/947446714.db2.gz WIORYVWDRBSUMF-HXUWFJFHSA-N 1 3 366.496 3.891 20 0 FHADHO CCC[N@@H+](CC)Cc1ccc(C(=O)N(CCN(C)C)C2CCCC2)cc1 ZINC000523664049 947492971 /nfs/dbraw/zinc/49/29/71/947492971.db2.gz MMWNJHICNPYNEN-UHFFFAOYSA-N 1 3 359.558 3.865 20 0 FHADHO CCC[N@H+](CC)Cc1ccc(C(=O)N(CCN(C)C)C2CCCC2)cc1 ZINC000523664049 947492965 /nfs/dbraw/zinc/49/29/65/947492965.db2.gz MMWNJHICNPYNEN-UHFFFAOYSA-N 1 3 359.558 3.865 20 0 FHADHO Cc1cc(F)ccc1-c1ccc(C[NH2+]CCCCN2CCN(C)CC2)o1 ZINC000523740936 947562130 /nfs/dbraw/zinc/56/21/30/947562130.db2.gz OCNFTIWAOKKFPA-UHFFFAOYSA-N 1 3 359.489 3.511 20 0 FHADHO CC(C)c1ccc(C(C)(C)NCC(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000663260313 947582202 /nfs/dbraw/zinc/58/22/02/947582202.db2.gz DTTIHNLXVOULFA-UHFFFAOYSA-N 1 3 359.558 3.624 20 0 FHADHO C[C@H](NCc1ccc(OCCC[NH+](C)C)cc1)c1ccc([S@@](C)=O)cc1 ZINC000165187059 947703578 /nfs/dbraw/zinc/70/35/78/947703578.db2.gz GBZXMMRGZLNNCY-QLXKLKPCSA-N 1 3 374.550 3.605 20 0 FHADHO C[C@H](NCc1ccc(OCCC[NH+](C)C)cc1)c1ccc([S@](C)=O)cc1 ZINC000165186845 947704023 /nfs/dbraw/zinc/70/40/23/947704023.db2.gz GBZXMMRGZLNNCY-MRDQGFSESA-N 1 3 374.550 3.605 20 0 FHADHO Cc1cc(-c2noc([C@@H](C)N3CCC[C@H](C4CC[NH2+]CC4)C3)n2)ccc1F ZINC000662296011 947722208 /nfs/dbraw/zinc/72/22/08/947722208.db2.gz JVRNCTUSSNTEMS-QAPCUYQASA-N 1 3 372.488 3.957 20 0 FHADHO CCc1cccc(CC)c1NC(=O)[C@@H](C)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662297271 947723602 /nfs/dbraw/zinc/72/36/02/947723602.db2.gz OXZVURNODCHIOC-DYESRHJHSA-N 1 3 371.569 3.850 20 0 FHADHO O=C(C[C@H]1NCc2ccccc21)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000662356425 947768342 /nfs/dbraw/zinc/76/83/42/947768342.db2.gz QHNVEVMWQOQLHS-JOCHJYFZSA-N 1 3 363.505 3.523 20 0 FHADHO CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663469842 948065546 /nfs/dbraw/zinc/06/55/46/948065546.db2.gz REACMSBMBVQBIB-UXHICEINSA-N 1 3 360.542 3.737 20 0 FHADHO O=C1Nc2ccccc2C12CCC([NH2+]C[C@@H]1CCCN(CC3CC3)C1)CC2 ZINC000663472230 948068486 /nfs/dbraw/zinc/06/84/86/948068486.db2.gz ZVUGFSKESQUFTL-HGCBZUSOSA-N 1 3 367.537 3.531 20 0 FHADHO CC[NH+](CC)CCC[C@H](C)N1CCN(c2nc3ccccc3s2)CC1 ZINC001167827519 948151449 /nfs/dbraw/zinc/15/14/49/948151449.db2.gz XERXXRJULFOCIC-KRWDZBQOSA-N 1 3 360.571 3.929 20 0 FHADHO COc1cccc(OC)c1C[NH2+]C[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000512017337 948199637 /nfs/dbraw/zinc/19/96/37/948199637.db2.gz VGGNLAJIIRMZRJ-YWZLYKJASA-N 1 3 360.523 3.938 20 0 FHADHO C[C@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000432409731 948352952 /nfs/dbraw/zinc/35/29/52/948352952.db2.gz IMBZIFBKHKNWRW-CVEARBPZSA-N 1 3 374.447 3.779 20 0 FHADHO C[C@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000432409731 948352958 /nfs/dbraw/zinc/35/29/58/948352958.db2.gz IMBZIFBKHKNWRW-CVEARBPZSA-N 1 3 374.447 3.779 20 0 FHADHO CC[C@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(Br)cc1 ZINC000432414216 948366940 /nfs/dbraw/zinc/36/69/40/948366940.db2.gz JWBSKYANUOGHCC-QAPCUYQASA-N 1 3 369.347 3.991 20 0 FHADHO CC[C@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1ccc(Br)cc1 ZINC000432414216 948366941 /nfs/dbraw/zinc/36/69/41/948366941.db2.gz JWBSKYANUOGHCC-QAPCUYQASA-N 1 3 369.347 3.991 20 0 FHADHO C[C@H]1CC([NH2+]C2CN(C(=O)OC(C)(C)C)C2)C[C@H](C)N1Cc1ccccc1 ZINC001168005034 948439816 /nfs/dbraw/zinc/43/98/16/948439816.db2.gz FAAXSVDSPIOOPJ-IRXDYDNUSA-N 1 3 373.541 3.637 20 0 FHADHO CC(C)N1CCN(C2CC[NH+]([C@@H](C)c3ccc4c(c3)CCC4)CC2)CC1 ZINC000445386488 948735798 /nfs/dbraw/zinc/73/57/98/948735798.db2.gz SQTCAYQNPWFKEJ-IBGZPJMESA-N 1 3 355.570 3.727 20 0 FHADHO C[C@H]1C[NH+](CC2CCN(Cc3ccc4ccccc4n3)CC2)C[C@H](C)O1 ZINC000512187361 948737251 /nfs/dbraw/zinc/73/72/51/948737251.db2.gz QAMYUMJAUGAYFN-ROUUACIJSA-N 1 3 353.510 3.556 20 0 FHADHO C[C@@H]1CC(NC[C@@](C)(O)c2ccccc2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168008271 948775417 /nfs/dbraw/zinc/77/54/17/948775417.db2.gz WZUWXWQQBZVDOB-DNVFCKCGSA-N 1 3 352.522 3.925 20 0 FHADHO CC(C)c1ccc(CN2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)cc1 ZINC000130707113 206125154 /nfs/dbraw/zinc/12/51/54/206125154.db2.gz OLURESVSIOXEOF-UHFFFAOYSA-N 1 3 373.585 3.726 20 0 FHADHO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc(C)c(C)cn2)CC1 ZINC001165022584 721844177 /nfs/dbraw/zinc/84/41/77/721844177.db2.gz PQGBTCBMSNPGIJ-UHFFFAOYSA-N 1 3 369.509 3.816 20 0 FHADHO COc1cccc(OC)c1CN1CCC(N(C)c2cc(C)c(C)c[nH+]2)CC1 ZINC001165022584 721844180 /nfs/dbraw/zinc/84/41/80/721844180.db2.gz PQGBTCBMSNPGIJ-UHFFFAOYSA-N 1 3 369.509 3.816 20 0 FHADHO CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@H](c3nccs3)C2)CC1 ZINC000092788848 936334860 /nfs/dbraw/zinc/33/48/60/936334860.db2.gz YPKNSYFSWDQPSY-IBGZPJMESA-N 1 3 370.566 3.665 20 0 FHADHO CCN1CCN(c2ccccc2C[N@H+]2CCC[C@H](c3nccs3)C2)CC1 ZINC000092788848 936334865 /nfs/dbraw/zinc/33/48/65/936334865.db2.gz YPKNSYFSWDQPSY-IBGZPJMESA-N 1 3 370.566 3.665 20 0 FHADHO COCc1ccc(CNCc2ccccc2N(C)C2CC[NH+](C)CC2)cc1 ZINC000123066166 937115277 /nfs/dbraw/zinc/11/52/77/937115277.db2.gz MYALCVVSWTZKKL-UHFFFAOYSA-N 1 3 367.537 3.653 20 0 FHADHO Cc1ccc(CN(C)C)cc1NC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000654858081 927434051 /nfs/dbraw/zinc/43/40/51/927434051.db2.gz ZHYCPLNAIAKPCH-FQEVSTJZSA-N 1 3 351.494 3.517 20 0 FHADHO Cc1ccc(CN(C)C)cc1NC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000654858081 927434056 /nfs/dbraw/zinc/43/40/56/927434056.db2.gz ZHYCPLNAIAKPCH-FQEVSTJZSA-N 1 3 351.494 3.517 20 0 FHADHO CN1CCC(N(Cc2ccccc2)C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC000547732311 929062416 /nfs/dbraw/zinc/06/24/16/929062416.db2.gz YCOYDTBJZPYDOD-UHFFFAOYSA-N 1 3 371.569 3.764 20 0 FHADHO CN1CCC(N(Cc2ccccc2)C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC000547732311 929062425 /nfs/dbraw/zinc/06/24/25/929062425.db2.gz YCOYDTBJZPYDOD-UHFFFAOYSA-N 1 3 371.569 3.764 20 0 FHADHO FC(F)(F)C[C@@H]1CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000683721339 929918581 /nfs/dbraw/zinc/91/85/81/929918581.db2.gz SRPOMNXOVCYWDQ-KRWDZBQOSA-N 1 3 356.432 3.936 20 0 FHADHO CC(C)[NH+]1CCC(N2CCN(CCCCCOc3ccccc3)CC2)CC1 ZINC000275701451 929943751 /nfs/dbraw/zinc/94/37/51/929943751.db2.gz JNTNMZXFSCDYOM-UHFFFAOYSA-N 1 3 373.585 3.726 20 0 FHADHO C[C@@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc([S@@](C)=O)cc1 ZINC000162924512 937376418 /nfs/dbraw/zinc/37/64/18/937376418.db2.gz HJRFRNJPFWMBPK-NSYGIPOTSA-N 1 3 356.535 3.871 20 0 FHADHO C[C@H]([NH3+])c1ccc(C(=O)Nc2ccc(CCN3CCSCC3)cc2)cc1 ZINC000583378879 937393496 /nfs/dbraw/zinc/39/34/96/937393496.db2.gz RECNSTFAUYLEGB-INIZCTEOSA-N 1 3 369.534 3.550 20 0 FHADHO C[C@@H](NC1CCN(CC[NH+](C)C)CC1)c1cc(Cl)sc1Cl ZINC000150971316 937417160 /nfs/dbraw/zinc/41/71/60/937417160.db2.gz MQYFGMZCJNRHIY-LLVKDONJSA-N 1 3 350.359 3.732 20 0 FHADHO CC[NH+]1CCC(N2CCC(C(=O)NC(CC(C)C)CC(C)C)CC2)CC1 ZINC000580783659 931146632 /nfs/dbraw/zinc/14/66/32/931146632.db2.gz UMZPPHXTXYAGTO-UHFFFAOYSA-N 1 3 365.606 3.760 20 0 FHADHO CC(C)N1CC[C@@H](C[NH2+][C@H](C)Cc2ccc(Br)cc2F)C1 ZINC000580801762 931166262 /nfs/dbraw/zinc/16/62/62/931166262.db2.gz WYSDEHUNVQQQMR-KGLIPLIRSA-N 1 3 357.311 3.839 20 0 FHADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C[C@@H](N)c2ccccc2)CC1 ZINC000580895044 931310213 /nfs/dbraw/zinc/31/02/13/931310213.db2.gz PGDMEQATRLRSIZ-GHTZIAJQSA-N 1 3 357.542 3.580 20 0 FHADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)C[C@@H](N)c2ccccc2)CC1 ZINC000580895044 931310221 /nfs/dbraw/zinc/31/02/21/931310221.db2.gz PGDMEQATRLRSIZ-GHTZIAJQSA-N 1 3 357.542 3.580 20 0 FHADHO CC[NH2+]CC1CCN([C@@H](C)C(=O)N[C@H](C)c2ccc3ccccc3c2)CC1 ZINC000430578429 931936239 /nfs/dbraw/zinc/93/62/39/931936239.db2.gz PFYRLTRHCWPULL-MSOLQXFVSA-N 1 3 367.537 3.727 20 0 FHADHO COc1cc(CN2CCC([C@H]3CCC[NH2+]C3)CC2)c(SC)cc1OC ZINC000656786955 932425916 /nfs/dbraw/zinc/42/59/16/932425916.db2.gz YCBHRFNCYUNLBP-INIZCTEOSA-N 1 3 364.555 3.637 20 0 FHADHO Cc1ncc([C@H](C)N[C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)s1 ZINC000090408341 932876881 /nfs/dbraw/zinc/87/68/81/932876881.db2.gz SZHFBRHCBBUEGH-KGLIPLIRSA-N 1 3 362.518 3.754 20 0 FHADHO Cc1ncc([C@H](C)[NH2+][C@H](C)c2cc(F)ccc2N2CCN(C)CC2)s1 ZINC000090408341 932876885 /nfs/dbraw/zinc/87/68/85/932876885.db2.gz SZHFBRHCBBUEGH-KGLIPLIRSA-N 1 3 362.518 3.754 20 0 FHADHO Cc1ncc([C@H](C)N[C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)s1 ZINC000090408338 932881631 /nfs/dbraw/zinc/88/16/31/932881631.db2.gz SZHFBRHCBBUEGH-KBPBESRZSA-N 1 3 362.518 3.754 20 0 FHADHO Cc1ncc([C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2N2CCN(C)CC2)s1 ZINC000090408338 932881635 /nfs/dbraw/zinc/88/16/35/932881635.db2.gz SZHFBRHCBBUEGH-KBPBESRZSA-N 1 3 362.518 3.754 20 0 FHADHO CC[C@H](C)N[C@@H](CNC(=O)c1cccc(C[NH+]2CCCC2)c1)c1ccco1 ZINC000581963946 933125811 /nfs/dbraw/zinc/12/58/11/933125811.db2.gz SUXCAIFNPMRIHC-PXNSSMCTSA-N 1 3 369.509 3.735 20 0 FHADHO CC[C@@H](C)N[C@@H](CNC(=O)c1cccc(C[NH+]2CCCC2)c1)c1ccco1 ZINC000581963947 933126100 /nfs/dbraw/zinc/12/61/00/933126100.db2.gz SUXCAIFNPMRIHC-XLIONFOSSA-N 1 3 369.509 3.735 20 0 FHADHO C[C@@H]1C[C@]2(CCO1)C[N@@H+](CC(C)(C)CN(C)Cc1ccccc1)C[C@H](C)O2 ZINC000430869094 933342827 /nfs/dbraw/zinc/34/28/27/933342827.db2.gz WYPYVIHTQYDEDE-ZRCGQRJVSA-N 1 3 374.569 3.803 20 0 FHADHO C[C@@H]1C[C@]2(CCO1)C[N@H+](CC(C)(C)CN(C)Cc1ccccc1)C[C@H](C)O2 ZINC000430869094 933342834 /nfs/dbraw/zinc/34/28/34/933342834.db2.gz WYPYVIHTQYDEDE-ZRCGQRJVSA-N 1 3 374.569 3.803 20 0 FHADHO CCN1CCN(CCC[NH2+][C@H](c2cccc(C)c2)c2cccc(F)c2)CC1 ZINC000510730057 933596450 /nfs/dbraw/zinc/59/64/50/933596450.db2.gz FFOXNHIXIKUZEI-HSZRJFAPSA-N 1 3 369.528 3.841 20 0 FHADHO C[C@H]1C[N@H+](CCCN[C@H]2CCc3ccc(Br)cc32)CCCO1 ZINC000510960858 934227702 /nfs/dbraw/zinc/22/77/02/934227702.db2.gz KSCCOCAEHPGKLK-KSSFIOAISA-N 1 3 367.331 3.527 20 0 FHADHO C[C@H]1C[N@@H+](CCCN[C@H]2CCc3ccc(Br)cc32)CCCO1 ZINC000510960858 934227708 /nfs/dbraw/zinc/22/77/08/934227708.db2.gz KSCCOCAEHPGKLK-KSSFIOAISA-N 1 3 367.331 3.527 20 0 FHADHO CC[C@H]([NH2+]C[C@@H]1CCN(CC)C1)c1ccc(I)cc1 ZINC000610799768 934426164 /nfs/dbraw/zinc/42/61/64/934426164.db2.gz QCTKCWSUHCNFKE-BBRMVZONSA-N 1 3 372.294 3.674 20 0 FHADHO CC[C@H](NC[C@@H]1CC[N@H+](CC)C1)c1ccc(I)cc1 ZINC000610799768 934426169 /nfs/dbraw/zinc/42/61/69/934426169.db2.gz QCTKCWSUHCNFKE-BBRMVZONSA-N 1 3 372.294 3.674 20 0 FHADHO CC[C@H](NC[C@@H]1CC[N@@H+](CC)C1)c1ccc(I)cc1 ZINC000610799768 934426171 /nfs/dbraw/zinc/42/61/71/934426171.db2.gz QCTKCWSUHCNFKE-BBRMVZONSA-N 1 3 372.294 3.674 20 0 FHADHO CO[C@@H](C[N@H+](C)C[C@H]1CCN(Cc2ccccc2)C1)c1ccc(F)cc1 ZINC001167504413 934871188 /nfs/dbraw/zinc/87/11/88/934871188.db2.gz LFQCIZJMOAYQKE-KNQAVFIVSA-N 1 3 356.485 3.967 20 0 FHADHO CO[C@@H](C[N@@H+](C)C[C@H]1CCN(Cc2ccccc2)C1)c1ccc(F)cc1 ZINC001167504413 934871194 /nfs/dbraw/zinc/87/11/94/934871194.db2.gz LFQCIZJMOAYQKE-KNQAVFIVSA-N 1 3 356.485 3.967 20 0 FHADHO CC(C)=CCC[C@@H](C)[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000537970685 935073095 /nfs/dbraw/zinc/07/30/95/935073095.db2.gz HJQSDFUFWJGKGI-LJQANCHMSA-N 1 3 357.542 3.737 20 0 FHADHO C[C@@H](Cc1ccsc1)[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000544024233 935251572 /nfs/dbraw/zinc/25/15/72/935251572.db2.gz WDWDNZBMYDPXMW-OKZBNKHCSA-N 1 3 350.572 3.890 20 0 FHADHO COCc1csc(CNCc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000657357010 935332480 /nfs/dbraw/zinc/33/24/80/935332480.db2.gz KUQNJTFKOCMXKO-UHFFFAOYSA-N 1 3 360.523 3.659 20 0 FHADHO CC(C)CN(C(=O)c1cccc(CN2CCCCC2)c1)C1CC[NH+](C)CC1 ZINC000413458739 935400371 /nfs/dbraw/zinc/40/03/71/935400371.db2.gz RLTNQRPYYVBLPG-UHFFFAOYSA-N 1 3 371.569 3.865 20 0 FHADHO C[C@@H](CN1CCC(C)CC1)[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000582431975 935695679 /nfs/dbraw/zinc/69/56/79/935695679.db2.gz XLQXEENTHLLFPX-IBGZPJMESA-N 1 3 361.549 3.543 20 0 FHADHO CCCOc1ccc(CNCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c(C)c1 ZINC000657431712 935717974 /nfs/dbraw/zinc/71/79/74/935717974.db2.gz JLFSEONLQZLXBG-JOCHJYFZSA-N 1 3 368.521 3.640 20 0 FHADHO CCCOc1ccc(CNCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c(C)c1 ZINC000657431712 935717976 /nfs/dbraw/zinc/71/79/76/935717976.db2.gz JLFSEONLQZLXBG-JOCHJYFZSA-N 1 3 368.521 3.640 20 0 FHADHO Cc1cc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)cc2cccnc12 ZINC000657613197 936093900 /nfs/dbraw/zinc/09/39/00/936093900.db2.gz IASFUHPDMOISOQ-UHFFFAOYSA-N 1 3 360.505 3.940 20 0 FHADHO Fc1cc2cccnc2c(C[NH2+]CC2CCN(Cc3ccncc3)CC2)c1 ZINC000657613932 936100690 /nfs/dbraw/zinc/10/06/90/936100690.db2.gz XMSAVGBVESBJGO-UHFFFAOYSA-N 1 3 364.468 3.771 20 0 FHADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)[C@@H]1C ZINC000583469778 938263994 /nfs/dbraw/zinc/26/39/94/938263994.db2.gz DLMKFZUHARBFBK-YJMBLLCNSA-N 1 3 372.553 3.856 20 0 FHADHO COc1cc(CN2CC[C@H](C3CC[NH+](C)CC3)C2)cc(Cl)c1OC ZINC000583592071 938311265 /nfs/dbraw/zinc/31/12/65/938311265.db2.gz QSHWZYNDTYYFCZ-INIZCTEOSA-N 1 3 352.906 3.521 20 0 FHADHO C[NH2+]Cc1ccccc1CN[C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000650758671 938425977 /nfs/dbraw/zinc/42/59/77/938425977.db2.gz VIEMHYSXEUPOJZ-OAHLLOKOSA-N 1 3 352.482 3.541 20 0 FHADHO COc1cc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)ccc1OCC(F)(F)F ZINC000583828238 938433884 /nfs/dbraw/zinc/43/38/84/938433884.db2.gz RPRIJSPHAPURAL-XHSDSOJGSA-N 1 3 372.431 3.599 20 0 FHADHO COc1cc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)ccc1OCC(F)(F)F ZINC000583828238 938433886 /nfs/dbraw/zinc/43/38/86/938433886.db2.gz RPRIJSPHAPURAL-XHSDSOJGSA-N 1 3 372.431 3.599 20 0 FHADHO COc1cc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)ccc1OCC(F)(F)F ZINC000583828238 938433887 /nfs/dbraw/zinc/43/38/87/938433887.db2.gz RPRIJSPHAPURAL-XHSDSOJGSA-N 1 3 372.431 3.599 20 0 FHADHO c1ccc(OCc2cccnc2)c(CN2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000152681416 938454511 /nfs/dbraw/zinc/45/45/11/938454511.db2.gz CEVSRLFNEIXCII-UHFFFAOYSA-N 1 3 365.521 3.968 20 0 FHADHO CC(C)[N@H+](C)C[C@H](O)CN[C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000660538271 945179764 /nfs/dbraw/zinc/17/97/64/945179764.db2.gz NSGKJOWLLBLZDS-FGTMMUONSA-N 1 3 358.448 3.632 20 0 FHADHO CC(C)[N@@H+](C)C[C@H](O)CN[C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000660538271 945179768 /nfs/dbraw/zinc/17/97/68/945179768.db2.gz NSGKJOWLLBLZDS-FGTMMUONSA-N 1 3 358.448 3.632 20 0 FHADHO CCN(C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)c1cccc(C)c1C ZINC000584002499 938532834 /nfs/dbraw/zinc/53/28/34/938532834.db2.gz CPZVPBKSBORHJH-UHFFFAOYSA-N 1 3 371.569 3.853 20 0 FHADHO C[C@@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)C(C)(C)C(F)F ZINC000657841344 938702111 /nfs/dbraw/zinc/70/21/11/938702111.db2.gz PEQWLBFZAFSQMJ-GOSISDBHSA-N 1 3 367.528 3.854 20 0 FHADHO Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2CNCc2cnc(-c3ccccc3)[nH]2)cc1 ZINC000584398110 938813045 /nfs/dbraw/zinc/81/30/45/938813045.db2.gz ATVRILDHWOEUJJ-NQIIRXRSSA-N 1 3 364.468 3.699 20 0 FHADHO Brc1ccc(OCC[NH2+]C2CCN(C3CCCC3)CC2)cc1 ZINC000089516700 938865353 /nfs/dbraw/zinc/86/53/53/938865353.db2.gz JQXMSCVFUGNCCU-UHFFFAOYSA-N 1 3 367.331 3.825 20 0 FHADHO CCc1ccc([C@@H](CO)N[C@H](C)c2cccc(OCC[NH+](C)C)c2)cc1 ZINC000090844220 938883524 /nfs/dbraw/zinc/88/35/24/938883524.db2.gz PBSYWDRGKHNLES-VGOFRKELSA-N 1 3 356.510 3.574 20 0 FHADHO C[NH+]1CCC(C)(CN[C@@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000507410926 945215465 /nfs/dbraw/zinc/21/54/65/945215465.db2.gz ZLDGZMSWWLQGJT-OAHLLOKOSA-N 1 3 355.295 3.897 20 0 FHADHO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)NCCC[NH+](C)C ZINC000151945547 938992462 /nfs/dbraw/zinc/99/24/62/938992462.db2.gz KADZJCUYDPGQDT-LLVKDONJSA-N 1 3 365.827 3.617 20 0 FHADHO O[C@@H]1CC[N@H+](Cc2ccc(CN[C@H]3CCSc4ccccc43)cc2)C1 ZINC000658142217 939036147 /nfs/dbraw/zinc/03/61/47/939036147.db2.gz DNQOUMDXGSQJNA-QUCCMNQESA-N 1 3 354.519 3.580 20 0 FHADHO O[C@@H]1CC[N@@H+](Cc2ccc(CN[C@H]3CCSc4ccccc43)cc2)C1 ZINC000658142217 939036157 /nfs/dbraw/zinc/03/61/57/939036157.db2.gz DNQOUMDXGSQJNA-QUCCMNQESA-N 1 3 354.519 3.580 20 0 FHADHO c1ccc2c(c1)NCCC[C@@H]2[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658163744 939052087 /nfs/dbraw/zinc/05/20/87/939052087.db2.gz AKPWVBMKNZVPRE-QFIPXVFZSA-N 1 3 350.510 3.830 20 0 FHADHO Cc1c([C@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)cnn1C(C)(C)C ZINC000658165754 939053357 /nfs/dbraw/zinc/05/33/57/939053357.db2.gz LJMFOZJMSAKRNL-KRWDZBQOSA-N 1 3 369.557 3.904 20 0 FHADHO COc1cc([C@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)ccc1F ZINC000658166277 939054361 /nfs/dbraw/zinc/05/43/61/939054361.db2.gz NNNDIDJGPNWMEE-INIZCTEOSA-N 1 3 357.473 3.792 20 0 FHADHO c1cc2n(n1)CCC[C@H]2[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000658318657 939110749 /nfs/dbraw/zinc/11/07/49/939110749.db2.gz RLZYJGXXFRZCPN-VQTJNVASSA-N 1 3 350.510 3.610 20 0 FHADHO C[C@@H](NCC1CC[NH+](CC2CC2)CC1)c1nc2ccc(Cl)cc2n1C ZINC000658357141 939125680 /nfs/dbraw/zinc/12/56/80/939125680.db2.gz RLUKSVUZTSEMKZ-CQSZACIVSA-N 1 3 360.933 3.999 20 0 FHADHO COc1cc(CNCc2cccc(C[N@H+](C)C(C)C)c2)cc2c1OCCO2 ZINC000065976653 940134335 /nfs/dbraw/zinc/13/43/35/940134335.db2.gz VPAPLPHMIUCFLL-UHFFFAOYSA-N 1 3 370.493 3.596 20 0 FHADHO COc1cc(CNCc2cccc(C[N@@H+](C)C(C)C)c2)cc2c1OCCO2 ZINC000065976653 940134336 /nfs/dbraw/zinc/13/43/36/940134336.db2.gz VPAPLPHMIUCFLL-UHFFFAOYSA-N 1 3 370.493 3.596 20 0 FHADHO CN(C)C[C@H](N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)c1ccccc1 ZINC000507526211 945302936 /nfs/dbraw/zinc/30/29/36/945302936.db2.gz LKWNBYIRLRAFQE-QPXUXIHVSA-N 1 3 363.549 3.790 20 0 FHADHO CN(C)C[C@H](N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)c1ccccc1 ZINC000507526211 945302943 /nfs/dbraw/zinc/30/29/43/945302943.db2.gz LKWNBYIRLRAFQE-QPXUXIHVSA-N 1 3 363.549 3.790 20 0 FHADHO Cc1ccc(CNC[C@@H]2CCC[N@@H+](CC(C)C)C2)c(-c2ccnn2C)c1 ZINC000548981451 940427166 /nfs/dbraw/zinc/42/71/66/940427166.db2.gz TWDKLOHYCLJLPO-IBGZPJMESA-N 1 3 354.542 3.853 20 0 FHADHO Cc1ccc(CNC[C@@H]2CCC[N@H+](CC(C)C)C2)c(-c2ccnn2C)c1 ZINC000548981451 940427177 /nfs/dbraw/zinc/42/71/77/940427177.db2.gz TWDKLOHYCLJLPO-IBGZPJMESA-N 1 3 354.542 3.853 20 0 FHADHO C[C@H](C(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C)N1CCCCCC1 ZINC000472503097 940445655 /nfs/dbraw/zinc/44/56/55/940445655.db2.gz RVSDZFNBVAPBOF-VAMGGRTRSA-N 1 3 371.569 3.524 20 0 FHADHO C[C@@H](NCC[C@@H]1CCC[N@H+](C)C1)c1ccccc1I ZINC000414184867 940726842 /nfs/dbraw/zinc/72/68/42/940726842.db2.gz OOZLWACMNMDXKO-KGLIPLIRSA-N 1 3 372.294 3.674 20 0 FHADHO C[C@@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1ccccc1I ZINC000414184867 940726845 /nfs/dbraw/zinc/72/68/45/940726845.db2.gz OOZLWACMNMDXKO-KGLIPLIRSA-N 1 3 372.294 3.674 20 0 FHADHO CO[C@H]1c2ccccc2C[C@H]1N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000414221432 940792115 /nfs/dbraw/zinc/79/21/15/940792115.db2.gz KWWXSFIBFFHUSS-BPCBYJRWSA-N 1 3 350.506 3.799 20 0 FHADHO CO[C@H]1c2ccccc2C[C@H]1N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000414221432 940792117 /nfs/dbraw/zinc/79/21/17/940792117.db2.gz KWWXSFIBFFHUSS-BPCBYJRWSA-N 1 3 350.506 3.799 20 0 FHADHO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CN[C@H](CC)c1ccncc1 ZINC000414266864 940865008 /nfs/dbraw/zinc/86/50/08/940865008.db2.gz MNKQGBGRWGAQIC-YPAWHYETSA-N 1 3 353.510 3.659 20 0 FHADHO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CN[C@H](CC)c1ccncc1 ZINC000414266864 940865012 /nfs/dbraw/zinc/86/50/12/940865012.db2.gz MNKQGBGRWGAQIC-YPAWHYETSA-N 1 3 353.510 3.659 20 0 FHADHO CC(C)[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1ccc(F)cn1 ZINC000414294435 940908880 /nfs/dbraw/zinc/90/88/80/940908880.db2.gz CHJZJXZUDMDUGO-OAQYLSRUSA-N 1 3 371.500 3.535 20 0 FHADHO CC(C)[C@@H](NCC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cn1 ZINC000414294435 940908882 /nfs/dbraw/zinc/90/88/82/940908882.db2.gz CHJZJXZUDMDUGO-OAQYLSRUSA-N 1 3 371.500 3.535 20 0 FHADHO OC1(C[NH2+][C@@H]2CCCc3ccc(F)cc32)CCN(Cc2ccccc2)CC1 ZINC000414303021 940921264 /nfs/dbraw/zinc/92/12/64/940921264.db2.gz LFTOMFHKXKIUAO-JOCHJYFZSA-N 1 3 368.496 3.820 20 0 FHADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@H](CO)c2ccc(F)cc2)CC1 ZINC000414305035 940931951 /nfs/dbraw/zinc/93/19/51/940931951.db2.gz YEKMWFHIFLJTFR-GHTZIAJQSA-N 1 3 370.512 3.587 20 0 FHADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@H](CO)c2ccc(F)cc2)CC1 ZINC000414305044 940932168 /nfs/dbraw/zinc/93/21/68/940932168.db2.gz YEKMWFHIFLJTFR-WIYYLYMNSA-N 1 3 370.512 3.587 20 0 FHADHO C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000414311456 940942857 /nfs/dbraw/zinc/94/28/57/940942857.db2.gz VARSNTAQIITCBA-HTAPYJJXSA-N 1 3 368.496 3.676 20 0 FHADHO CCN1CCN(C[C@H](C)C[NH2+][C@H]2CCc3cc(Cl)cc(Cl)c32)CC1 ZINC000134379192 941062444 /nfs/dbraw/zinc/06/24/44/941062444.db2.gz IKQGZNIGVUNNSR-KDOFPFPSSA-N 1 3 370.368 3.844 20 0 FHADHO O=C(C[C@H]1NCc2ccccc21)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000659283758 941146599 /nfs/dbraw/zinc/14/65/99/941146599.db2.gz BYZBMBIZAWNKCZ-JOCHJYFZSA-N 1 3 363.505 3.888 20 0 FHADHO FC(F)(F)c1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CCN(C3CC3)C2)cc1 ZINC000377084148 941511278 /nfs/dbraw/zinc/51/12/78/941511278.db2.gz QPXQZCGZFRYAMF-CYBMUJFWSA-N 1 3 364.415 3.669 20 0 FHADHO COc1cc(CN[C@@H](CCC[NH3+])c2ccccc2)c(SC)cc1OC ZINC000415061949 941580224 /nfs/dbraw/zinc/58/02/24/941580224.db2.gz ZHGYTRXCAQBUGJ-KRWDZBQOSA-N 1 3 360.523 3.996 20 0 FHADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(CCCc2c(F)cccc2Cl)CC1 ZINC000415104013 941606056 /nfs/dbraw/zinc/60/60/56/941606056.db2.gz GHFSHXJATAXNBL-OALUTQOASA-N 1 3 354.897 3.630 20 0 FHADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(Cc2ccc(-c3ccccc3F)o2)CC1 ZINC000415120073 941616915 /nfs/dbraw/zinc/61/69/15/941616915.db2.gz FWNJRNGLKSXXTP-CTNGQTDRSA-N 1 3 358.457 3.804 20 0 FHADHO [NH3+][C@H]1CCO[C@@H](C2CCN(Cc3ccccc3OC3CCCC3)CC2)C1 ZINC000415124642 941620551 /nfs/dbraw/zinc/62/05/51/941620551.db2.gz MVQWNPUGAPKENF-SIKLNZKXSA-N 1 3 358.526 3.726 20 0 FHADHO CC(C)N1CCN(CCC[N@H+](Cc2cccc(Cl)c2)C(C)C)CC1 ZINC000472746211 941671510 /nfs/dbraw/zinc/67/15/10/941671510.db2.gz FWTNIUAYPITUPS-UHFFFAOYSA-N 1 3 351.966 3.967 20 0 FHADHO CC(C)N1CCN(CCC[N@@H+](Cc2cccc(Cl)c2)C(C)C)CC1 ZINC000472746211 941671513 /nfs/dbraw/zinc/67/15/13/941671513.db2.gz FWTNIUAYPITUPS-UHFFFAOYSA-N 1 3 351.966 3.967 20 0 FHADHO Cc1ccc([C@@H](CNC(=O)CCCC[NH+]2CCCC2)N2CCCC2)cc1 ZINC000729349982 941727336 /nfs/dbraw/zinc/72/73/36/941727336.db2.gz BQLNETYIDCMXKC-OAQYLSRUSA-N 1 3 357.542 3.514 20 0 FHADHO C[C@@H](C[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1)CN(C)C ZINC000314311249 941819763 /nfs/dbraw/zinc/81/97/63/941819763.db2.gz MIRHIHLKKMHLSE-JTQLQIEISA-N 1 3 369.225 3.635 20 0 FHADHO Clc1cc(Cl)cc(CC[NH2+]C2CCN(C[C@H]3CCOC3)CC2)c1 ZINC000893014014 941881350 /nfs/dbraw/zinc/88/13/50/941881350.db2.gz VCMSIFQREZACNC-OAHLLOKOSA-N 1 3 357.325 3.626 20 0 FHADHO C[C@@H]1CN(CC2CC[NH+](C[C@@H]3CCC4(CCCCC4)O3)CC2)C[C@@H](C)O1 ZINC000467194836 941898431 /nfs/dbraw/zinc/89/84/31/941898431.db2.gz DNGFAORTFVQYCZ-SBHAEUEKSA-N 1 3 364.574 3.690 20 0 FHADHO O[C@H](C[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1)c1cccc(F)c1 ZINC000311991132 941939131 /nfs/dbraw/zinc/93/91/31/941939131.db2.gz PZCLUCMDTAMLSS-SIKLNZKXSA-N 1 3 356.485 3.751 20 0 FHADHO O=c1[nH]c2ccccc2cc1CN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377759606 941966311 /nfs/dbraw/zinc/96/63/11/941966311.db2.gz HLWOLCYACFTVAY-RBBKRZOGSA-N 1 3 373.500 3.894 20 0 FHADHO O=c1[nH]c2ccccc2cc1CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377759606 941966315 /nfs/dbraw/zinc/96/63/15/941966315.db2.gz HLWOLCYACFTVAY-RBBKRZOGSA-N 1 3 373.500 3.894 20 0 FHADHO CC[NH2+]Cc1cccc(NC(=O)N(CCN(C)C)Cc2cccc(C)c2)c1 ZINC000415901016 942119396 /nfs/dbraw/zinc/11/93/96/942119396.db2.gz BHJWNDBMHBLETP-UHFFFAOYSA-N 1 3 368.525 3.700 20 0 FHADHO CC[NH2+]Cc1cccc(NC(=O)N[C@@H](CN2CCCC2)c2ccccc2)c1 ZINC000415904301 942130760 /nfs/dbraw/zinc/13/07/60/942130760.db2.gz ALTXZKAXUYZDTA-NRFANRHFSA-N 1 3 366.509 3.755 20 0 FHADHO C[NH2+]Cc1ccccc1NC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000415906046 942133173 /nfs/dbraw/zinc/13/31/73/942133173.db2.gz WHEKOLVCTRESIC-OAQYLSRUSA-N 1 3 366.509 3.673 20 0 FHADHO CC[NH2+]Cc1cccc(NC(=O)N(CCN(C)C)Cc2ccc(F)cc2)c1 ZINC000415927620 942164079 /nfs/dbraw/zinc/16/40/79/942164079.db2.gz DMEGCHOVHFYFPM-UHFFFAOYSA-N 1 3 372.488 3.531 20 0 FHADHO C[C@H](CN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21)c1ccc(C(F)(F)F)cc1 ZINC000501040454 942270688 /nfs/dbraw/zinc/27/06/88/942270688.db2.gz ZYIGKXDYMWCMLH-UTRMSSBJSA-N 1 3 370.459 3.992 20 0 FHADHO CC(C)CCC[C@@H](C)NC(=O)CN(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501045732 942273253 /nfs/dbraw/zinc/27/32/53/942273253.db2.gz JZYTVKXPUHRMKF-LJQANCHMSA-N 1 3 374.573 3.561 20 0 FHADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@H](c3ccc(F)cc3)CC2)CC1 ZINC000501051741 942276924 /nfs/dbraw/zinc/27/69/24/942276924.db2.gz FSOWDSOWWPALEJ-FQEVSTJZSA-N 1 3 361.549 3.811 20 0 FHADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@H](c3ccc(F)cc3)CC2)CC1 ZINC000501051741 942276928 /nfs/dbraw/zinc/27/69/28/942276928.db2.gz FSOWDSOWWPALEJ-FQEVSTJZSA-N 1 3 361.549 3.811 20 0 FHADHO CC(C)C[N@H+](CCCN1CCN(C(C)C)CC1)[C@H]1CCCc2cccnc21 ZINC000501054193 942280459 /nfs/dbraw/zinc/28/04/59/942280459.db2.gz WWGAIJZEVLPVRR-QFIPXVFZSA-N 1 3 372.601 3.833 20 0 FHADHO CC(C)C[N@@H+](CCCN1CCN(C(C)C)CC1)[C@H]1CCCc2cccnc21 ZINC000501054193 942280460 /nfs/dbraw/zinc/28/04/60/942280460.db2.gz WWGAIJZEVLPVRR-QFIPXVFZSA-N 1 3 372.601 3.833 20 0 FHADHO O[C@@H](C[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000312042653 942388838 /nfs/dbraw/zinc/38/88/38/942388838.db2.gz XDDCTPMELMMYIN-KNQAVFIVSA-N 1 3 356.485 3.751 20 0 FHADHO Cc1ccc(NC(=O)C[C@H](C)N[C@H](C[NH3+])C2CCCCC2)c(Cl)c1 ZINC000414832542 942505648 /nfs/dbraw/zinc/50/56/48/942505648.db2.gz DSWYTYAILLJXCD-KBXCAEBGSA-N 1 3 351.922 3.863 20 0 FHADHO Cc1ccc(NC(=O)C[C@H](C)N[C@@H](C[NH3+])C2CCCCC2)c(Cl)c1 ZINC000414832547 942506061 /nfs/dbraw/zinc/50/60/61/942506061.db2.gz DSWYTYAILLJXCD-KSSFIOAISA-N 1 3 351.922 3.863 20 0 FHADHO Cc1cc(CNCc2ccccc2N(C)C2CC[NH+](C)CC2)cc(C)n1 ZINC000421385569 942539140 /nfs/dbraw/zinc/53/91/40/942539140.db2.gz QIDRLKKPEXJEGG-UHFFFAOYSA-N 1 3 352.526 3.519 20 0 FHADHO CC1(C)C[NH2+]CC[C@@H]1NCCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000420352552 942633947 /nfs/dbraw/zinc/63/39/47/942633947.db2.gz APVYNJZYYAIDID-FQEVSTJZSA-N 1 3 367.493 3.785 20 0 FHADHO [NH3+]C[C@@H](NCCC(=O)Nc1cc(Cl)ccc1Cl)C1CCCCC1 ZINC000420362745 942640195 /nfs/dbraw/zinc/64/01/95/942640195.db2.gz ISQCGQANPMMJBQ-MRXNPFEDSA-N 1 3 358.313 3.819 20 0 FHADHO Cn1nc(CCC[N@@H+](C)CC[C@@H]2CCCN2C)cc1-c1ccc(F)cc1 ZINC000502683048 942656699 /nfs/dbraw/zinc/65/66/99/942656699.db2.gz LSIPGLVBJFOVHZ-FQEVSTJZSA-N 1 3 358.505 3.575 20 0 FHADHO Cn1nc(CCC[N@H+](C)CC[C@@H]2CCCN2C)cc1-c1ccc(F)cc1 ZINC000502683048 942656702 /nfs/dbraw/zinc/65/67/02/942656702.db2.gz LSIPGLVBJFOVHZ-FQEVSTJZSA-N 1 3 358.505 3.575 20 0 FHADHO COc1ccc([C@H](C)NCc2cccc(OCC[NH+](C)C)c2)c(C)c1OC ZINC000514106549 942749825 /nfs/dbraw/zinc/74/98/25/942749825.db2.gz ZHXBUKOVJFUMOR-KRWDZBQOSA-N 1 3 372.509 3.803 20 0 FHADHO C[C@H]([NH2+]CCCCN1CCN(c2ccccc2)CC1)c1ccncc1Cl ZINC000421823858 942833596 /nfs/dbraw/zinc/83/35/96/942833596.db2.gz FPHCGJJXELNHDT-SFHVURJKSA-N 1 3 372.944 3.988 20 0 FHADHO C[C@H](NCCCC[NH+]1CCN(c2ccccc2)CC1)c1ccncc1Cl ZINC000421823858 942833599 /nfs/dbraw/zinc/83/35/99/942833599.db2.gz FPHCGJJXELNHDT-SFHVURJKSA-N 1 3 372.944 3.988 20 0 FHADHO CN(Cc1cnc([C@@H]2CCCO2)s1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000363886961 942963410 /nfs/dbraw/zinc/96/34/10/942963410.db2.gz JZYWONYCMLUOPC-IBGZPJMESA-N 1 3 372.538 3.738 20 0 FHADHO C[C@H](NCC1=CC[N@H+](C)CC1)c1ccc(OC(F)F)cc1OC(F)F ZINC000271886406 943065668 /nfs/dbraw/zinc/06/56/68/943065668.db2.gz QUFSUOFBAYTKIC-NSHDSACASA-N 1 3 362.367 3.802 20 0 FHADHO C[C@H](NCC1=CC[N@@H+](C)CC1)c1ccc(OC(F)F)cc1OC(F)F ZINC000271886406 943065673 /nfs/dbraw/zinc/06/56/73/943065673.db2.gz QUFSUOFBAYTKIC-NSHDSACASA-N 1 3 362.367 3.802 20 0 FHADHO [NH3+]C[C@@H]1CCN(Cc2ccc(-c3ccc(Br)cc3)s2)C1 ZINC000414658713 943125456 /nfs/dbraw/zinc/12/54/56/943125456.db2.gz RHLOFGUQULPCIA-LBPRGKRZSA-N 1 3 351.313 3.958 20 0 FHADHO C[C@@H]1C[C@H](C)N(Cc2ccc(C(=O)Nc3ccccc3)cc2)C[C@H]1C[NH3+] ZINC000422631201 943214268 /nfs/dbraw/zinc/21/42/68/943214268.db2.gz FGBTUEVJRHHYCI-FUHIMQAGSA-N 1 3 351.494 3.744 20 0 FHADHO C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc2c(c1)COC2 ZINC000272774822 943218751 /nfs/dbraw/zinc/21/87/51/943218751.db2.gz UDXTUPQYTZQEMK-HXOBKFHXSA-N 1 3 366.505 3.524 20 0 FHADHO C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc2c(c1)COC2 ZINC000272774822 943218754 /nfs/dbraw/zinc/21/87/54/943218754.db2.gz UDXTUPQYTZQEMK-HXOBKFHXSA-N 1 3 366.505 3.524 20 0 FHADHO CCCOCc1ccccc1CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422697996 943236207 /nfs/dbraw/zinc/23/62/07/943236207.db2.gz XDPDWRJRDHJDQH-GMAHTHKFSA-N 1 3 366.505 3.959 20 0 FHADHO N[C@H]1CCCCC[C@H]1[NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000422705009 943240254 /nfs/dbraw/zinc/24/02/54/943240254.db2.gz BDTPRJCXECZQIE-RBUKOAKNSA-N 1 3 369.475 3.919 20 0 FHADHO [NH3+][C@H]1CCCCC[C@H]1NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000422705009 943240258 /nfs/dbraw/zinc/24/02/58/943240258.db2.gz BDTPRJCXECZQIE-RBUKOAKNSA-N 1 3 369.475 3.919 20 0 FHADHO NC[C@@H]1CCCC[C@H]1[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000422762096 943265639 /nfs/dbraw/zinc/26/56/39/943265639.db2.gz NKBGYYXPEOBWRE-MAUKXSAKSA-N 1 3 370.459 3.861 20 0 FHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H](C)COc1ccccc1C(F)(F)F ZINC000422769602 943276880 /nfs/dbraw/zinc/27/68/80/943276880.db2.gz VRQRTRKSRHRLAE-CHWSQXEVSA-N 1 3 367.415 3.986 20 0 FHADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCc1csc(-c2ccccc2)n1 ZINC000422777978 943279073 /nfs/dbraw/zinc/27/90/73/943279073.db2.gz DEUPHFFPHDFKOD-UZLBHIALSA-N 1 3 351.519 3.901 20 0 FHADHO Clc1cnc(NCCN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c(Cl)c1 ZINC000422778884 943279713 /nfs/dbraw/zinc/27/97/13/943279713.db2.gz HWZWTWAVSAFPIA-NUEKZKHPSA-N 1 3 357.329 3.701 20 0 FHADHO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@H](Cc1ccccc1)[C@H](C)N ZINC000422786271 943282290 /nfs/dbraw/zinc/28/22/90/943282290.db2.gz KRRUPYNRSJLVFE-GAJHUEQPSA-N 1 3 362.521 3.596 20 0 FHADHO CCN(CC)[C@@H](CNC(=O)NCc1ccc([C@@H](C)[NH3+])cc1)c1ccsc1 ZINC000417001137 943282339 /nfs/dbraw/zinc/28/23/39/943282339.db2.gz DVMFIJYICKGJSM-BEFAXECRSA-N 1 3 374.554 3.650 20 0 FHADHO CN(C)c1cc(CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c2ccccc2n1 ZINC000422802865 943289231 /nfs/dbraw/zinc/28/92/31/943289231.db2.gz FELUGOJTGHRKDR-XUVXKRRUSA-N 1 3 352.526 3.701 20 0 FHADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000422810646 943291369 /nfs/dbraw/zinc/29/13/69/943291369.db2.gz UNXLNTRNYDYECB-KBPBESRZSA-N 1 3 352.482 3.609 20 0 FHADHO C[C@H](C[C@H](C)[NH3+])NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000422790175 943293049 /nfs/dbraw/zinc/29/30/49/943293049.db2.gz PFNUEBHMCDRMSB-JKSUJKDBSA-N 1 3 352.457 3.894 20 0 FHADHO C[C@@H]([NH3+])C[C@H](C)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000422790172 943293082 /nfs/dbraw/zinc/29/30/82/943293082.db2.gz PFNUEBHMCDRMSB-CVEARBPZSA-N 1 3 352.457 3.894 20 0 FHADHO Cc1ccc([C@@H](C[NH2+][C@H](C)c2ccc(CN)nc2C)N2CCCC2)cc1 ZINC000422828585 943298207 /nfs/dbraw/zinc/29/82/07/943298207.db2.gz OIPICVJXLXQACQ-VGOFRKELSA-N 1 3 352.526 3.645 20 0 FHADHO C[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)Oc1ccccc1Br ZINC000422837979 943301248 /nfs/dbraw/zinc/30/12/48/943301248.db2.gz NJAMLHAPYUKBNM-YQFWSFKMSA-N 1 3 367.331 3.727 20 0 FHADHO CC(C)(C)c1ccc(C2([NH2+]C[C@@H]3CCCN(C(=O)CN)C3)CCCC2)cc1 ZINC000414696837 943302519 /nfs/dbraw/zinc/30/25/19/943302519.db2.gz BMGJZDYRAHEUGI-SFHVURJKSA-N 1 3 371.569 3.540 20 0 FHADHO Fc1cccc(F)c1C1(CN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)CCCC1 ZINC000422847539 943303784 /nfs/dbraw/zinc/30/37/84/943303784.db2.gz RQURBKIPQTVVHD-KFKAGJAMSA-N 1 3 364.480 3.523 20 0 FHADHO Cc1cc(C)n(-c2ccc(CC[NH2+][C@H](C)c3ccc(CN)nc3C)cc2)n1 ZINC000422857861 943307857 /nfs/dbraw/zinc/30/78/57/943307857.db2.gz IENQGSDSPWEZAI-QGZVFWFLSA-N 1 3 363.509 3.545 20 0 FHADHO C[C@H](c1cccs1)[N@@H+](Cc1ccccc1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414700996 943313690 /nfs/dbraw/zinc/31/36/90/943313690.db2.gz JWNQRYVFZSVYJX-IEBWSBKVSA-N 1 3 371.550 3.509 20 0 FHADHO C[C@H](c1cccs1)[N@H+](Cc1ccccc1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414700996 943313692 /nfs/dbraw/zinc/31/36/92/943313692.db2.gz JWNQRYVFZSVYJX-IEBWSBKVSA-N 1 3 371.550 3.509 20 0 FHADHO Clc1ccc(C2(CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCOCC2)c(Cl)c1 ZINC000422876454 943313707 /nfs/dbraw/zinc/31/37/07/943313707.db2.gz FXOGQXNYGSAMKC-XYPWUTKMSA-N 1 3 369.336 3.914 20 0 FHADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@H](c1ccccc1)N1CCc2sccc2C1 ZINC000422883522 943316963 /nfs/dbraw/zinc/31/69/63/943316963.db2.gz QOXMLXDNDWHCGU-QMMLZNLJSA-N 1 3 369.578 3.825 20 0 FHADHO N[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC000422887561 943318940 /nfs/dbraw/zinc/31/89/40/943318940.db2.gz BGGJFWMLBSNJGX-WOJBJXKFSA-N 1 3 355.457 3.828 20 0 FHADHO COc1ccc(Cl)cc1C1(C[NH2+][C@@H]2CCCC[C@H]2CN)CCOCC1 ZINC000422906253 943326423 /nfs/dbraw/zinc/32/64/23/943326423.db2.gz UVHHGDUNDQEWCZ-MAUKXSAKSA-N 1 3 366.933 3.504 20 0 FHADHO c1sc(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)nc1-c1ccncc1 ZINC000422907739 943327203 /nfs/dbraw/zinc/32/72/03/943327203.db2.gz CHEDNOUKDFMXJJ-FGTMMUONSA-N 1 3 356.539 3.648 20 0 FHADHO CO[C@H](CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1cccc(Cl)c1 ZINC000422922754 943332540 /nfs/dbraw/zinc/33/25/40/943332540.db2.gz UGUOLKZMIRAIDE-CEWLAPEOSA-N 1 3 372.896 3.873 20 0 FHADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCc1ccccc1OC(F)(F)F ZINC000422924329 943332927 /nfs/dbraw/zinc/33/29/27/943332927.db2.gz AODUUYMEYZANLX-PBHICJAKSA-N 1 3 352.400 3.676 20 0 FHADHO C[C@H]1CN(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)[C@@H](C)CN1 ZINC000414707456 943344409 /nfs/dbraw/zinc/34/44/09/943344409.db2.gz HYWGIIMEPVEKLH-IRXDYDNUSA-N 1 3 358.530 3.665 20 0 FHADHO C[C@H]1CN(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)[C@@H](C)CN1 ZINC000414707456 943344414 /nfs/dbraw/zinc/34/44/14/943344414.db2.gz HYWGIIMEPVEKLH-IRXDYDNUSA-N 1 3 358.530 3.665 20 0 FHADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H]1CCc2c1cccc2Br ZINC000422958103 943349503 /nfs/dbraw/zinc/34/95/03/943349503.db2.gz OOQUNBJSKHZFDA-SGTLLEGYSA-N 1 3 360.299 3.949 20 0 FHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCCO[C@@H]1CCCc2ccccc21 ZINC000422981300 943357096 /nfs/dbraw/zinc/35/70/96/943357096.db2.gz NSCCBSDUPXYQJE-KSFYIVLOSA-N 1 3 353.510 3.984 20 0 FHADHO CN(Cc1ccco1)Cc1ccccc1CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423003284 943361458 /nfs/dbraw/zinc/36/14/58/943361458.db2.gz HHFBAHLYJCOTLU-DNVJHFABSA-N 1 3 367.537 3.922 20 0 FHADHO Fc1cc(N2CC[C@H](N[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)C2)ccc1Cl ZINC000423028233 943370718 /nfs/dbraw/zinc/37/07/18/943370718.db2.gz SJWGINZVPYQZMZ-JECZMYCTSA-N 1 3 351.897 3.568 20 0 FHADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCCc1nc(-c2ccc(F)cc2)no1 ZINC000423026656 943371060 /nfs/dbraw/zinc/37/10/60/943371060.db2.gz BUBCDJATCLZCGR-CRAIPNDOSA-N 1 3 360.477 3.709 20 0 FHADHO CC(C)(CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)c1cccc(Cl)c1F ZINC000423057186 943377157 /nfs/dbraw/zinc/37/71/57/943377157.db2.gz ZLKZAPZRFXBFMX-IAOVAPTHSA-N 1 3 354.897 3.503 20 0 FHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCc1cn(C)c2cc(Cl)ccc12 ZINC000423062370 943378206 /nfs/dbraw/zinc/37/82/06/943378206.db2.gz MUTUFJPAGNDJKW-ZDUSSCGKSA-N 1 3 356.901 3.887 20 0 FHADHO COc1cc(-c2ccccc2)ccc1CN1CCC(OCCC[NH3+])CC1 ZINC000435391892 943378925 /nfs/dbraw/zinc/37/89/25/943378925.db2.gz UPDJVDKDDGHDEU-UHFFFAOYSA-N 1 3 354.494 3.692 20 0 FHADHO FC(F)(F)c1ccc([C@H]2C[C@H](N[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000423094555 943392023 /nfs/dbraw/zinc/39/20/23/943392023.db2.gz KJXQOSBQHYJSGL-GPFWEFOESA-N 1 3 368.443 3.698 20 0 FHADHO CSc1ccc([C@H](CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)N(C)C)cc1 ZINC000423143896 943419342 /nfs/dbraw/zinc/41/93/42/943419342.db2.gz FJZQEBIXXUZZLP-NCYKPQTJSA-N 1 3 361.599 3.912 20 0 FHADHO CC[N@H+](CCC1CCN(CCc2nc(C(C)=O)c(C)[nH]2)CC1)CC(C)C ZINC000660171770 943433748 /nfs/dbraw/zinc/43/37/48/943433748.db2.gz MSWBRQRSKNEISN-UHFFFAOYSA-N 1 3 362.562 3.543 20 0 FHADHO CC[N@@H+](CCC1CCN(CCc2nc(C(C)=O)c(C)[nH]2)CC1)CC(C)C ZINC000660171770 943433756 /nfs/dbraw/zinc/43/37/56/943433756.db2.gz MSWBRQRSKNEISN-UHFFFAOYSA-N 1 3 362.562 3.543 20 0 FHADHO CC[N@H+](CCC1CCN(CCc2nc(C)c(C(C)=O)[nH]2)CC1)CC(C)C ZINC000660171770 943433762 /nfs/dbraw/zinc/43/37/62/943433762.db2.gz MSWBRQRSKNEISN-UHFFFAOYSA-N 1 3 362.562 3.543 20 0 FHADHO CC[N@@H+](CCC1CCN(CCc2nc(C)c(C(C)=O)[nH]2)CC1)CC(C)C ZINC000660171770 943433766 /nfs/dbraw/zinc/43/37/66/943433766.db2.gz MSWBRQRSKNEISN-UHFFFAOYSA-N 1 3 362.562 3.543 20 0 FHADHO Brc1ccc2c(c1)CC[C@@H]2NCCC[NH2+]Cc1cccnc1 ZINC000423194047 943437587 /nfs/dbraw/zinc/43/75/87/943437587.db2.gz YDXGGVAGYRLEBJ-SFHVURJKSA-N 1 3 360.299 3.601 20 0 FHADHO CC(C)N(CC(=O)Nc1ccccc1C(F)(F)F)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414727422 943457528 /nfs/dbraw/zinc/45/75/28/943457528.db2.gz BCMZHDJBPSMHFG-GJZGRUSLSA-N 1 3 371.447 3.742 20 0 FHADHO C[NH2+]C[C@@H](C)CN[C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000423283160 943463411 /nfs/dbraw/zinc/46/34/11/943463411.db2.gz XJNBSWVSPFGWKB-BZNIZROVSA-N 1 3 350.304 3.753 20 0 FHADHO CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414733830 943482140 /nfs/dbraw/zinc/48/21/40/943482140.db2.gz KGSOCUWSMFLBTP-UONOGXRCSA-N 1 3 362.905 3.589 20 0 FHADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@H]2NCCc3ccccc32)CC1 ZINC000423419651 943504070 /nfs/dbraw/zinc/50/40/70/943504070.db2.gz IUCNHTVOZJMKGA-NTKDMRAZSA-N 1 3 363.549 3.559 20 0 FHADHO Cc1c([C@@H](C)NC[C@H]2CC[C@H](C[NH3+])CC2)nnn1-c1cccc(Cl)c1 ZINC000423434949 943518711 /nfs/dbraw/zinc/51/87/11/943518711.db2.gz YRKXUMAVTVRHPL-FVQBIDKESA-N 1 3 361.921 3.645 20 0 FHADHO C[NH+]1CCC(CN[C@H](c2ccc(Br)cc2)c2cccnc2)CC1 ZINC000924963556 943522188 /nfs/dbraw/zinc/52/21/88/943522188.db2.gz KUGIADCQCRTPCP-LJQANCHMSA-N 1 3 374.326 3.865 20 0 FHADHO Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC2(N)C3CC4CC(C3)CC2C4)c(C)c1 ZINC000423533779 943540138 /nfs/dbraw/zinc/54/01/38/943540138.db2.gz YMIVKRNHFSEFAP-ZOSNZDNESA-N 1 3 369.553 3.764 20 0 FHADHO CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000423519190 943544188 /nfs/dbraw/zinc/54/41/88/943544188.db2.gz DARCNVYDTUVWHU-SDAIYUAJSA-N 1 3 372.553 3.768 20 0 FHADHO C[C@H](NCC1([NH3+])CCN(Cc2ccccc2)CC1)c1cc(F)ccc1F ZINC000423575117 943561587 /nfs/dbraw/zinc/56/15/87/943561587.db2.gz PWNYFYGKJMEVJF-INIZCTEOSA-N 1 3 359.464 3.609 20 0 FHADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC000584873184 943837881 /nfs/dbraw/zinc/83/78/81/943837881.db2.gz ULQYIEVLGQMBMO-ICSRJNTNSA-N 1 3 357.542 3.593 20 0 FHADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC000584873184 943837891 /nfs/dbraw/zinc/83/78/91/943837891.db2.gz ULQYIEVLGQMBMO-ICSRJNTNSA-N 1 3 357.542 3.593 20 0 FHADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC000584873186 943838031 /nfs/dbraw/zinc/83/80/31/943838031.db2.gz ULQYIEVLGQMBMO-UYAOXDASSA-N 1 3 357.542 3.593 20 0 FHADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC000584873186 943838038 /nfs/dbraw/zinc/83/80/38/943838038.db2.gz ULQYIEVLGQMBMO-UYAOXDASSA-N 1 3 357.542 3.593 20 0 FHADHO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1N)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000424380386 943888961 /nfs/dbraw/zinc/88/89/61/943888961.db2.gz XCWQMPUDBMHZDY-MAODMQOUSA-N 1 3 364.493 3.834 20 0 FHADHO CSc1ccc([C@@H](CNC(=O)Nc2cc(C)cc(C[NH3+])c2)N(C)C)cc1 ZINC000424426068 943922183 /nfs/dbraw/zinc/92/21/83/943922183.db2.gz KZWXTTJOKBBYRW-LJQANCHMSA-N 1 3 372.538 3.600 20 0 FHADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(Cc3cnc(-c4ccsc4)s3)CC2)C1 ZINC000515517165 943948816 /nfs/dbraw/zinc/94/88/16/943948816.db2.gz LQFKZDGAQLGDPU-NVXWUHKLSA-N 1 3 363.552 3.590 20 0 FHADHO NC[C@@H]1CCCC[C@H]1[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000414811387 944094220 /nfs/dbraw/zinc/09/42/20/944094220.db2.gz WBLVONGLOQTMDF-IFXJQAMLSA-N 1 3 353.913 3.551 20 0 FHADHO c1cc(-c2n[nH]cc2C[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)cs1 ZINC000436237485 944140043 /nfs/dbraw/zinc/14/00/43/944140043.db2.gz GQYNGRWBWOUJKK-GOSISDBHSA-N 1 3 366.534 3.792 20 0 FHADHO OC1CC[NH+](Cc2ccc(CNCc3cc4c(cccc4F)[nH]3)cc2)CC1 ZINC000436237069 944140067 /nfs/dbraw/zinc/14/00/67/944140067.db2.gz FYYXGQCFQHSOPN-UHFFFAOYSA-N 1 3 367.468 3.554 20 0 FHADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000436281964 944161980 /nfs/dbraw/zinc/16/19/80/944161980.db2.gz HTUWDGCWVRZURO-CDJZJNNCSA-N 1 3 370.537 3.609 20 0 FHADHO CN(C)[C@H]1CCC[N@H+](CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)CC1 ZINC000894568145 944267787 /nfs/dbraw/zinc/26/77/87/944267787.db2.gz ZJOPEQJSIUCQEZ-HRVKUGKESA-N 1 3 365.562 3.581 20 0 FHADHO CN(C)[C@H]1CCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)CC1 ZINC000894568145 944267794 /nfs/dbraw/zinc/26/77/94/944267794.db2.gz ZJOPEQJSIUCQEZ-HRVKUGKESA-N 1 3 365.562 3.581 20 0 FHADHO OC[C@H]1CCC[N@@H+]1Cc1ccccc1CNCc1cc2c(cccc2F)[nH]1 ZINC000436400015 944277504 /nfs/dbraw/zinc/27/75/04/944277504.db2.gz HJSNWFASGBWDKC-LJQANCHMSA-N 1 3 367.468 3.554 20 0 FHADHO OC[C@H]1CCC[N@H+]1Cc1ccccc1CNCc1cc2c(cccc2F)[nH]1 ZINC000436400015 944277509 /nfs/dbraw/zinc/27/75/09/944277509.db2.gz HJSNWFASGBWDKC-LJQANCHMSA-N 1 3 367.468 3.554 20 0 FHADHO Cc1ccc([C@H](CNC(=O)CC[N@H+]2CCCC[C@@H]2C)N2CCCC2)cc1 ZINC000550142805 944277513 /nfs/dbraw/zinc/27/75/13/944277513.db2.gz IUMAJDZYZUBIMM-FPOVZHCZSA-N 1 3 357.542 3.513 20 0 FHADHO Cc1ccc([C@H](CNC(=O)CC[N@@H+]2CCCC[C@@H]2C)N2CCCC2)cc1 ZINC000550142805 944277518 /nfs/dbraw/zinc/27/75/18/944277518.db2.gz IUMAJDZYZUBIMM-FPOVZHCZSA-N 1 3 357.542 3.513 20 0 FHADHO Fc1ccc(CC2([NH2+]C3C[C@H]4CC[C@@H](C3)N4CC3CC3)CCOCC2)cc1 ZINC001167975841 944372261 /nfs/dbraw/zinc/37/22/61/944372261.db2.gz XBEOIWZDHFAOSH-FRIKZZABSA-N 1 3 372.528 3.912 20 0 FHADHO CC(C)c1nnc(CCN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)s1 ZINC000426300204 944397150 /nfs/dbraw/zinc/39/71/50/944397150.db2.gz CULWSTPKWYPPLS-CEXWTWQISA-N 1 3 370.566 3.704 20 0 FHADHO CC(C)c1nnc(CCN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)s1 ZINC000426300204 944397159 /nfs/dbraw/zinc/39/71/59/944397159.db2.gz CULWSTPKWYPPLS-CEXWTWQISA-N 1 3 370.566 3.704 20 0 FHADHO CC(C)c1nnc(CC[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)s1 ZINC000426300204 944397164 /nfs/dbraw/zinc/39/71/64/944397164.db2.gz CULWSTPKWYPPLS-CEXWTWQISA-N 1 3 370.566 3.704 20 0 FHADHO CC(C)c1nnc(CCN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)s1 ZINC000426300207 944397276 /nfs/dbraw/zinc/39/72/76/944397276.db2.gz CULWSTPKWYPPLS-IPMKNSEASA-N 1 3 370.566 3.704 20 0 FHADHO CC(C)c1nnc(CCN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)s1 ZINC000426300207 944397283 /nfs/dbraw/zinc/39/72/83/944397283.db2.gz CULWSTPKWYPPLS-IPMKNSEASA-N 1 3 370.566 3.704 20 0 FHADHO CC(C)c1nnc(CC[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)s1 ZINC000426300207 944397291 /nfs/dbraw/zinc/39/72/91/944397291.db2.gz CULWSTPKWYPPLS-IPMKNSEASA-N 1 3 370.566 3.704 20 0 FHADHO OC1CC[NH+](Cc2ccccc2CN[C@H](c2cccnc2)C2CCC2)CC1 ZINC000280782184 944408161 /nfs/dbraw/zinc/40/81/61/944408161.db2.gz GWRWHSQFEYDYSE-QHCPKHFHSA-N 1 3 365.521 3.669 20 0 FHADHO CCOc1c(OC)cc(CN2CCC(C[NH+](CC)CC)CC2)cc1OC ZINC000506888752 944707488 /nfs/dbraw/zinc/70/74/88/944707488.db2.gz AGDNWLVHRGZECO-UHFFFAOYSA-N 1 3 364.530 3.656 20 0 FHADHO COc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)ccc1OCC(F)(F)F ZINC000516348294 944754106 /nfs/dbraw/zinc/75/41/06/944754106.db2.gz RYGHPEPPORNMAC-XYPWUTKMSA-N 1 3 372.431 3.693 20 0 FHADHO COc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)ccc1OCC(F)(F)F ZINC000516348294 944754112 /nfs/dbraw/zinc/75/41/12/944754112.db2.gz RYGHPEPPORNMAC-XYPWUTKMSA-N 1 3 372.431 3.693 20 0 FHADHO CCCN1CCN(c2ccccc2C[NH+]2CCC([C@@H]3CCCO3)CC2)CC1 ZINC000439784255 944969196 /nfs/dbraw/zinc/96/91/96/944969196.db2.gz VYGGYVZSGQYWFT-QHCPKHFHSA-N 1 3 371.569 3.610 20 0 FHADHO CCC1(C)CCN([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000507178955 945009876 /nfs/dbraw/zinc/00/98/76/945009876.db2.gz GEFKKLOYOQOYKZ-IBGZPJMESA-N 1 3 371.569 3.668 20 0 FHADHO [NH3+][C@H]1CCC[C@@H](CNCc2csc(COc3ccc(Cl)cc3)n2)C1 ZINC000415013612 945496600 /nfs/dbraw/zinc/49/66/00/945496600.db2.gz YOEKOVRYASSXRE-HIFRSBDPSA-N 1 3 365.930 3.983 20 0 FHADHO Fc1cc(CN[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)ccc1-n1ccnc1 ZINC000415075458 945550957 /nfs/dbraw/zinc/55/09/57/945550957.db2.gz BLBVXKMPVMGJQH-QUCCMNQESA-N 1 3 350.441 3.594 20 0 FHADHO CCN1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2ccc(-c3ccccc3)cn2)CC1 ZINC000651705291 945727876 /nfs/dbraw/zinc/72/78/76/945727876.db2.gz NZLXYJQEOFUAAL-PMACEKPBSA-N 1 3 366.553 3.673 20 0 FHADHO O[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)Cc1ccc(F)cc1 ZINC000519827532 945789401 /nfs/dbraw/zinc/78/94/01/945789401.db2.gz ZDXBEADJCSNRPH-GLCCWIKHSA-N 1 3 368.496 3.514 20 0 FHADHO O[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Cc1ccc(F)cc1 ZINC000519827532 945789413 /nfs/dbraw/zinc/78/94/13/945789413.db2.gz ZDXBEADJCSNRPH-GLCCWIKHSA-N 1 3 368.496 3.514 20 0 FHADHO Cc1ccc(CN(C)C)cc1NC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662745458 945856864 /nfs/dbraw/zinc/85/68/64/945856864.db2.gz DYYZOPWRNKJHKJ-IBGZPJMESA-N 1 3 351.494 3.688 20 0 FHADHO CC(C)C(=O)NC1CCN(C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168050983 945972998 /nfs/dbraw/zinc/97/29/98/945972998.db2.gz DZHLVHFHPYXJHO-OALUTQOASA-N 1 3 371.569 3.665 20 0 FHADHO C[C@H](CC[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1)OCc1ccccc1 ZINC000475056675 946016780 /nfs/dbraw/zinc/01/67/80/946016780.db2.gz LKISGFVMYJJRIA-NJDAHSKKSA-N 1 3 374.569 3.803 20 0 FHADHO O=c1cccc(C[N@H+]2CCC3(C2)CCN(Cc2ccc(Cl)cc2)CC3)[nH]1 ZINC001279145338 946164952 /nfs/dbraw/zinc/16/49/52/946164952.db2.gz ZTNKHRMYELJVSD-UHFFFAOYSA-N 1 3 371.912 3.929 20 0 FHADHO O=c1cccc(C[N@@H+]2CCC3(C2)CCN(Cc2ccc(Cl)cc2)CC3)[nH]1 ZINC001279145338 946164959 /nfs/dbraw/zinc/16/49/59/946164959.db2.gz ZTNKHRMYELJVSD-UHFFFAOYSA-N 1 3 371.912 3.929 20 0 FHADHO COc1cc(Br)ccc1CCCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000248445678 946345564 /nfs/dbraw/zinc/34/55/64/946345564.db2.gz CFTSCLKORCXRNO-SJORKVTESA-N 1 3 367.331 3.607 20 0 FHADHO COc1cc(Br)ccc1CCCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000248445678 946345577 /nfs/dbraw/zinc/34/55/77/946345577.db2.gz CFTSCLKORCXRNO-SJORKVTESA-N 1 3 367.331 3.607 20 0 FHADHO C[NH+](C)C[C@@](C)(O)CNc1ccnc2ccc(Oc3ccccc3)cc21 ZINC000302861971 946355758 /nfs/dbraw/zinc/35/57/58/946355758.db2.gz VSPUNSZOOXVEMG-NRFANRHFSA-N 1 3 351.450 3.752 20 0 FHADHO C[C@@H]([NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000893488939 946430737 /nfs/dbraw/zinc/43/07/37/946430737.db2.gz VTUOAZOIJYNXCT-TVFCKZIOSA-N 1 3 365.562 3.532 20 0 FHADHO CC1CC[NH+](CCC[C@H](N[C@@H](CO)CCF)c2ccc(F)cc2)CC1 ZINC000652301931 946651440 /nfs/dbraw/zinc/65/14/40/946651440.db2.gz KPWWWSDPISZOAB-UXHICEINSA-N 1 3 354.485 3.689 20 0 FHADHO CN(C)Cc1ccc(NC(=O)C2CC[NH+](C3CC3)CC2)cc1C(F)(F)F ZINC000894983379 946816527 /nfs/dbraw/zinc/81/65/27/946816527.db2.gz BQMPXKBHJQWCKG-UHFFFAOYSA-N 1 3 369.431 3.580 20 0 FHADHO CCNC(=O)OC1CCN(C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001168060758 946825354 /nfs/dbraw/zinc/82/53/54/946825354.db2.gz YAFJFIUWXHWURN-QZTJIDSGSA-N 1 3 373.541 3.639 20 0 FHADHO C(O[C@H]1CCC[C@@H]2C[N@@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C[C@@H]21)C1CC1 ZINC001167994013 946874807 /nfs/dbraw/zinc/87/48/07/946874807.db2.gz WLROAASWGDFJKK-RPZNRFFMSA-N 1 3 358.570 3.919 20 0 FHADHO C(O[C@H]1CCC[C@@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C[C@@H]21)C1CC1 ZINC001167994013 946874819 /nfs/dbraw/zinc/87/48/19/946874819.db2.gz WLROAASWGDFJKK-RPZNRFFMSA-N 1 3 358.570 3.919 20 0 FHADHO CC1(C)CCCN(CCNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000444610918 947035354 /nfs/dbraw/zinc/03/53/54/947035354.db2.gz PTXSLGNPUAXUDW-UHFFFAOYSA-N 1 3 371.569 3.527 20 0 FHADHO C[C@H]1CN(Cc2ccc(-c3ccsc3)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000444671930 947097228 /nfs/dbraw/zinc/09/72/28/947097228.db2.gz KJNPDCISTLFVAQ-AVRDEDQJSA-N 1 3 369.578 3.873 20 0 FHADHO Cc1ncc(C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)n1-c1ccccc1 ZINC000192921812 947105368 /nfs/dbraw/zinc/10/53/68/947105368.db2.gz DIQCLRYOJGZPKV-NRFANRHFSA-N 1 3 360.505 3.792 20 0 FHADHO Cc1c(Cl)cccc1NC(=O)[C@H](C)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662297823 947719024 /nfs/dbraw/zinc/71/90/24/947719024.db2.gz SIDPVTWAWVAJTD-DOTOQJQBSA-N 1 3 363.933 3.687 20 0 FHADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1cccc2c1CNC2 ZINC000662390223 947769691 /nfs/dbraw/zinc/76/96/91/947769691.db2.gz YSGHJVKVAYPOEQ-QGZVFWFLSA-N 1 3 363.505 3.594 20 0 FHADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1cccc2c1CNC2 ZINC000662390223 947769695 /nfs/dbraw/zinc/76/96/95/947769695.db2.gz YSGHJVKVAYPOEQ-QGZVFWFLSA-N 1 3 363.505 3.594 20 0 FHADHO CC(C)C[C@H](CNC(=O)c1cccc2c1CNC2)[NH2+][C@H](C)c1ccccc1 ZINC000662454107 947824277 /nfs/dbraw/zinc/82/42/77/947824277.db2.gz IYISPTPLAHTPBO-YLJYHZDGSA-N 1 3 365.521 3.785 20 0 FHADHO C[C@@H](CC(=O)Nc1cccc(Cl)c1)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663469283 948062186 /nfs/dbraw/zinc/06/21/86/948062186.db2.gz PMCAOHIRVSFWFP-RDJZCZTQSA-N 1 3 363.933 3.769 20 0 FHADHO C[C@@H](CC(=O)Nc1cccc(Cl)c1)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663469283 948062191 /nfs/dbraw/zinc/06/21/91/948062191.db2.gz PMCAOHIRVSFWFP-RDJZCZTQSA-N 1 3 363.933 3.769 20 0 FHADHO C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663469283 948062200 /nfs/dbraw/zinc/06/22/00/948062200.db2.gz PMCAOHIRVSFWFP-RDJZCZTQSA-N 1 3 363.933 3.769 20 0 FHADHO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@H]1CCCN(CC2CC2)C1)CC3 ZINC000663470622 948066062 /nfs/dbraw/zinc/06/60/62/948066062.db2.gz VQNXCQRDRBSEKJ-MSOLQXFVSA-N 1 3 367.537 3.745 20 0 FHADHO CO[C@H](CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1Cl ZINC000643467451 948106749 /nfs/dbraw/zinc/10/67/49/948106749.db2.gz HVXJZFVYXKMLDN-HMXCVIKNSA-N 1 3 372.896 3.873 20 0 FHADHO CC[NH+](CC)CCC[C@@H](C)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC001167826254 948129013 /nfs/dbraw/zinc/12/90/13/948129013.db2.gz NVHWLHYEZZAZQY-MRXNPFEDSA-N 1 3 372.479 3.733 20 0 FHADHO C[C@H]1CN(CCC[NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)CCCO1 ZINC000432362635 948217543 /nfs/dbraw/zinc/21/75/43/948217543.db2.gz NPVCPDAOQZJVNZ-ZDUSSCGKSA-N 1 3 364.839 3.949 20 0 FHADHO O=C1Nc2ccccc2C12CCC([NH2+]CCNC1CCCCCC1)CC2 ZINC000520564845 948302983 /nfs/dbraw/zinc/30/29/83/948302983.db2.gz DINKSCXOVGOVMV-UHFFFAOYSA-N 1 3 355.526 3.721 20 0 FHADHO CC[NH+](CC)CCC[C@@H](C)N1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001167841376 948360725 /nfs/dbraw/zinc/36/07/25/948360725.db2.gz LWDRFDOHKTWGOK-QRVBRYPASA-N 1 3 367.578 3.971 20 0 FHADHO C[C@@H]1C[NH+](CCCCNCc2csc(-c3ccsc3)n2)C[C@@H](C)O1 ZINC000067452531 948764135 /nfs/dbraw/zinc/76/41/35/948764135.db2.gz RFXJNRPFCNVLNB-HUUCEWRRSA-N 1 3 365.568 3.851 20 0 FHADHO C[C@H]1CN(CCCC[NH2+]Cc2cc(Br)ccc2F)C[C@H](C)O1 ZINC000067453141 948795313 /nfs/dbraw/zinc/79/53/13/948795313.db2.gz VRIPEOWWORJUEM-KBPBESRZSA-N 1 3 373.310 3.567 20 0 FHADHO CCC(CC)(CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(OC)c(OC)c1 ZINC000461104497 567964135 /nfs/dbraw/zinc/96/41/35/567964135.db2.gz XCRUKAUTFWWNRA-OALUTQOASA-N 1 3 360.542 3.978 20 0 FHADHO CCC(CC)(CN[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(OC)c(OC)c1 ZINC000461104497 567964136 /nfs/dbraw/zinc/96/41/36/567964136.db2.gz XCRUKAUTFWWNRA-OALUTQOASA-N 1 3 360.542 3.978 20 0 FHADHO CCC(CC)(CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(OC)c(OC)c1 ZINC000461104499 567964223 /nfs/dbraw/zinc/96/42/23/567964223.db2.gz XCRUKAUTFWWNRA-RBUKOAKNSA-N 1 3 360.542 3.978 20 0 FHADHO CCC(CC)(CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(OC)c(OC)c1 ZINC000461104499 567964224 /nfs/dbraw/zinc/96/42/24/567964224.db2.gz XCRUKAUTFWWNRA-RBUKOAKNSA-N 1 3 360.542 3.978 20 0 FHADHO COc1ccc(-c2nc(CN3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cs2)cc1 ZINC000563135877 568274503 /nfs/dbraw/zinc/27/45/03/568274503.db2.gz VLNCUCRQCLVIJF-IRXDYDNUSA-N 1 3 357.523 3.640 20 0 FHADHO CN1CC[C@@]2(CC[N@H+](Cc3cccc(OCc4ccccc4F)c3)C2)C1 ZINC000430141572 927156913 /nfs/dbraw/zinc/15/69/13/927156913.db2.gz YAWMSLYHOFLYCJ-JOCHJYFZSA-N 1 3 354.469 3.932 20 0 FHADHO CN1CC[C@@]2(CC[N@@H+](Cc3cccc(OCc4ccccc4F)c3)C2)C1 ZINC000430141572 927156919 /nfs/dbraw/zinc/15/69/19/927156919.db2.gz YAWMSLYHOFLYCJ-JOCHJYFZSA-N 1 3 354.469 3.932 20 0 FHADHO CN1CC[C@]2(CC[N@H+](Cc3cccc(OCc4ccc(F)cc4)c3)C2)C1 ZINC000430146007 927309774 /nfs/dbraw/zinc/30/97/74/927309774.db2.gz HUIAVBFKLHNRIV-QFIPXVFZSA-N 1 3 354.469 3.932 20 0 FHADHO CN1CC[C@]2(CC[N@@H+](Cc3cccc(OCc4ccc(F)cc4)c3)C2)C1 ZINC000430146007 927309782 /nfs/dbraw/zinc/30/97/82/927309782.db2.gz HUIAVBFKLHNRIV-QFIPXVFZSA-N 1 3 354.469 3.932 20 0 FHADHO [NH3+][C@@H]1CCO[C@H](C2CCN(Cc3cnc(-c4ccccc4)s3)CC2)C1 ZINC000583131513 937153343 /nfs/dbraw/zinc/15/33/43/937153343.db2.gz PVQOVNJIXDWLOG-MJGOQNOKSA-N 1 3 357.523 3.528 20 0 FHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)CC3CCCCC3)CC2)CC1 ZINC000655036454 927921183 /nfs/dbraw/zinc/92/11/83/927921183.db2.gz RBJOUNKYMSTONS-GOSISDBHSA-N 1 3 363.590 3.658 20 0 FHADHO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)CC3 ZINC000180312836 929458373 /nfs/dbraw/zinc/45/83/73/929458373.db2.gz CZARLMXHHUYSHE-OTWHNJEPSA-N 1 3 369.553 3.813 20 0 FHADHO CN1CCC[N@H+](CCCNC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000180467151 929518261 /nfs/dbraw/zinc/51/82/61/929518261.db2.gz KVIILIUNCGFHTF-UHFFFAOYSA-N 1 3 373.491 3.671 20 0 FHADHO CN1CCC[N@@H+](CCCNC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000180467151 929518270 /nfs/dbraw/zinc/51/82/70/929518270.db2.gz KVIILIUNCGFHTF-UHFFFAOYSA-N 1 3 373.491 3.671 20 0 FHADHO CCCC[C@@H](C)N(C)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000580014283 929863055 /nfs/dbraw/zinc/86/30/55/929863055.db2.gz FZGJNRIHBJKMNY-LJQANCHMSA-N 1 3 359.558 3.586 20 0 FHADHO Cc1ccccc1[C@H](C)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC001167337291 929988882 /nfs/dbraw/zinc/98/88/82/929988882.db2.gz MFGAPEOFLDGBMM-NRFANRHFSA-N 1 3 351.538 3.806 20 0 FHADHO Cc1ccccc1[C@H](C)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC001167337291 929988896 /nfs/dbraw/zinc/98/88/96/929988896.db2.gz MFGAPEOFLDGBMM-NRFANRHFSA-N 1 3 351.538 3.806 20 0 FHADHO CCCN1CCC([NH2+][C@@H]2CCN(CC)[C@@H]2c2cc(F)c(F)c(F)c2)CC1 ZINC000123694013 930095429 /nfs/dbraw/zinc/09/54/29/930095429.db2.gz WWZMNWBFZVNBBQ-UYAOXDASSA-N 1 3 369.475 3.703 20 0 FHADHO CCC[N@@H+]1CCC[C@H]1CN[C@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000580475091 930721424 /nfs/dbraw/zinc/72/14/24/930721424.db2.gz CLVAHDHEYUZONR-CABCVRRESA-N 1 3 371.447 3.887 20 0 FHADHO CCC[N@H+]1CCC[C@H]1CN[C@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000580475091 930721427 /nfs/dbraw/zinc/72/14/27/930721427.db2.gz CLVAHDHEYUZONR-CABCVRRESA-N 1 3 371.447 3.887 20 0 FHADHO c1ccc(C[N@@H+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3CN2CCCc2ccncc2)cc1 ZINC000656403637 931592229 /nfs/dbraw/zinc/59/22/29/931592229.db2.gz BUAXKVMBZUCQNZ-KIHHCIJBSA-N 1 3 361.533 3.857 20 0 FHADHO c1ccc(C[N@H+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3CN2CCCc2ccncc2)cc1 ZINC000656403637 931592236 /nfs/dbraw/zinc/59/22/36/931592236.db2.gz BUAXKVMBZUCQNZ-KIHHCIJBSA-N 1 3 361.533 3.857 20 0 FHADHO C[C@H](N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(-n2cccn2)cc1 ZINC000581542507 932230533 /nfs/dbraw/zinc/23/05/33/932230533.db2.gz CWGRTDSHPWQICR-JWNTYJGQSA-N 1 3 374.488 3.779 20 0 FHADHO C[C@H](N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(-n2cccn2)cc1 ZINC000581542505 932230849 /nfs/dbraw/zinc/23/08/49/932230849.db2.gz CWGRTDSHPWQICR-AMHTUMDSSA-N 1 3 374.488 3.779 20 0 FHADHO CC1=C[C@H](C)C[C@@H](C[NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)C1 ZINC000581577116 932265562 /nfs/dbraw/zinc/26/55/62/932265562.db2.gz NTSZETYZRWBJKX-GHTZIAJQSA-N 1 3 369.553 3.594 20 0 FHADHO COc1ccc(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1OC(F)F ZINC000656785165 932421473 /nfs/dbraw/zinc/42/14/73/932421473.db2.gz JWSKWUGPWKHNSI-MRXNPFEDSA-N 1 3 354.441 3.508 20 0 FHADHO C[C@@H]1CCCC[N@H+]1CCCN[C@@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000399117610 933011065 /nfs/dbraw/zinc/01/10/65/933011065.db2.gz GLIOOYSTDOJXMS-FGTMMUONSA-N 1 3 353.551 3.629 20 0 FHADHO C[C@@H]1CCCC[N@@H+]1CCCN[C@@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000399117610 933011071 /nfs/dbraw/zinc/01/10/71/933011071.db2.gz GLIOOYSTDOJXMS-FGTMMUONSA-N 1 3 353.551 3.629 20 0 FHADHO C[C@@H]1CCCCN1CCC[NH2+][C@@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000399117610 933011075 /nfs/dbraw/zinc/01/10/75/933011075.db2.gz GLIOOYSTDOJXMS-FGTMMUONSA-N 1 3 353.551 3.629 20 0 FHADHO Brc1ccccc1CC1(NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000581979719 933318306 /nfs/dbraw/zinc/31/83/06/933318306.db2.gz WZFCFTJPNPGPMH-UHFFFAOYSA-N 1 3 363.343 3.988 20 0 FHADHO COc1cc(CN2CCC(C[N@H+](C)C(C)C)CC2)c(SC)cc1OC ZINC000535813226 934406121 /nfs/dbraw/zinc/40/61/21/934406121.db2.gz UKBDCOIULMBAGH-UHFFFAOYSA-N 1 3 366.571 3.978 20 0 FHADHO COc1cc(CN2CCC(C[N@@H+](C)C(C)C)CC2)c(SC)cc1OC ZINC000535813226 934406125 /nfs/dbraw/zinc/40/61/25/934406125.db2.gz UKBDCOIULMBAGH-UHFFFAOYSA-N 1 3 366.571 3.978 20 0 FHADHO Clc1ccc(Br)c(CCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000090579537 934880825 /nfs/dbraw/zinc/88/08/25/934880825.db2.gz OQVMOFKPRXIFLO-HUUCEWRRSA-N 1 3 357.723 3.861 20 0 FHADHO Clc1ccc(Br)c(CCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000090579537 934880829 /nfs/dbraw/zinc/88/08/29/934880829.db2.gz OQVMOFKPRXIFLO-HUUCEWRRSA-N 1 3 357.723 3.861 20 0 FHADHO CC[NH+](CC)Cc1ccc(CNCc2ccc(O[C@H]3CCOC3)cc2)cc1 ZINC000657296826 935000107 /nfs/dbraw/zinc/00/01/07/935000107.db2.gz IHIROWXYHXHHPI-QHCPKHFHSA-N 1 3 368.521 3.986 20 0 FHADHO CC[NH+](CC)Cc1cccc(CNCc2ccc(O[C@H]3CCOC3)cc2)c1 ZINC000657315340 935154373 /nfs/dbraw/zinc/15/43/73/935154373.db2.gz QTKIVFBCCBOOGG-QHCPKHFHSA-N 1 3 368.521 3.986 20 0 FHADHO CCOc1c(Cl)cc(C[NH2+]Cc2ccnn2-c2ccncc2)cc1OC ZINC000657316276 935167058 /nfs/dbraw/zinc/16/70/58/935167058.db2.gz IPJJJOMQEITNSU-UHFFFAOYSA-N 1 3 372.856 3.618 20 0 FHADHO Cn1ncc(C2CCC2)c1C[NH2+]C[C@H]1CCCN(Cc2ccccc2)C1 ZINC000657335647 935259818 /nfs/dbraw/zinc/25/98/18/935259818.db2.gz RBTMTXOTTRMORA-LJQANCHMSA-N 1 3 352.526 3.689 20 0 FHADHO c1c2ccncc2sc1C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000657351328 935315652 /nfs/dbraw/zinc/31/56/52/935315652.db2.gz CKLPVHDIYHRGGN-SFHVURJKSA-N 1 3 351.519 3.951 20 0 FHADHO c1c2ccncc2sc1CNC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000657351328 935315658 /nfs/dbraw/zinc/31/56/58/935315658.db2.gz CKLPVHDIYHRGGN-SFHVURJKSA-N 1 3 351.519 3.951 20 0 FHADHO c1c2ccncc2sc1CNC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000657351328 935315664 /nfs/dbraw/zinc/31/56/64/935315664.db2.gz CKLPVHDIYHRGGN-SFHVURJKSA-N 1 3 351.519 3.951 20 0 FHADHO C[C@@H](N[C@@H](C)c1cccc(-n2ccnn2)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000582140534 935324821 /nfs/dbraw/zinc/32/48/21/935324821.db2.gz UWKPPBARSXMUJZ-SCTDSRPQSA-N 1 3 353.514 3.571 20 0 FHADHO C[C@@H](N[C@@H](C)c1cccc(-n2ccnn2)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000582140534 935324826 /nfs/dbraw/zinc/32/48/26/935324826.db2.gz UWKPPBARSXMUJZ-SCTDSRPQSA-N 1 3 353.514 3.571 20 0 FHADHO C[C@@H]([NH2+][C@@H](C)c1cccc(-n2ccnn2)c1)[C@H]1CCCN(C2CCC2)C1 ZINC000582140534 935324831 /nfs/dbraw/zinc/32/48/31/935324831.db2.gz UWKPPBARSXMUJZ-SCTDSRPQSA-N 1 3 353.514 3.571 20 0 FHADHO CCCn1nccc1C[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000657354010 935327492 /nfs/dbraw/zinc/32/74/92/935327492.db2.gz MXPJAHPZGBFPRH-UHFFFAOYSA-N 1 3 360.933 3.948 20 0 FHADHO O=C(c1ccccc1)C1CC[NH+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC1 ZINC001167985044 945095455 /nfs/dbraw/zinc/09/54/55/945095455.db2.gz TVGVLIQWOULSPH-CBQGHPETSA-N 1 3 352.522 3.987 20 0 FHADHO Cc1nn(Cc2ccccc2Cl)c(C)c1CNCc1ccc(C[NH3+])cc1 ZINC000582241265 935448701 /nfs/dbraw/zinc/44/87/01/935448701.db2.gz JWWNPWGOWPKTTH-UHFFFAOYSA-N 1 3 368.912 3.950 20 0 FHADHO CC(C)[C@H](C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)N1CCCCC1 ZINC000519108707 945114366 /nfs/dbraw/zinc/11/43/66/945114366.db2.gz VPNSWUVOQPZFEX-OAQYLSRUSA-N 1 3 357.542 3.774 20 0 FHADHO CCOc1ccc(CNCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c(C)c1 ZINC000657428786 935703542 /nfs/dbraw/zinc/70/35/42/935703542.db2.gz BCUIHHISVKWRFP-JOCHJYFZSA-N 1 3 368.521 3.640 20 0 FHADHO CCOc1ccc(CNCc2ccccc2C[N@H+]2CCC[C@@H]2CO)c(C)c1 ZINC000657428786 935703544 /nfs/dbraw/zinc/70/35/44/935703544.db2.gz BCUIHHISVKWRFP-JOCHJYFZSA-N 1 3 368.521 3.640 20 0 FHADHO CCOc1ccc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)c(C)c1 ZINC000657497175 935874987 /nfs/dbraw/zinc/87/49/87/935874987.db2.gz UYWMTUJTJIDKCX-UHFFFAOYSA-N 1 3 368.521 3.510 20 0 FHADHO CC[N@H+](Cc1ccc(C(=O)Nc2cccc(CN(C)C)c2)cc1)C1CC1 ZINC000511182470 935959771 /nfs/dbraw/zinc/95/97/71/935959771.db2.gz DGKPGOZAOYHHFS-UHFFFAOYSA-N 1 3 351.494 3.985 20 0 FHADHO CC[N@@H+](Cc1ccc(C(=O)Nc2cccc(CN(C)C)c2)cc1)C1CC1 ZINC000511182470 935959773 /nfs/dbraw/zinc/95/97/73/935959773.db2.gz DGKPGOZAOYHHFS-UHFFFAOYSA-N 1 3 351.494 3.985 20 0 FHADHO CC(C)[NH+]1CCC(NC(=O)CN(CC2CCC2)[C@H](C)c2ccccc2)CC1 ZINC000077372451 936046057 /nfs/dbraw/zinc/04/60/57/936046057.db2.gz NVDUTMGUHPEQCF-LJQANCHMSA-N 1 3 371.569 3.839 20 0 FHADHO CC1(C)Cc2cccc(C[NH2+]CC3CCN(Cc4ccncc4)CC3)c2O1 ZINC000657612718 936098602 /nfs/dbraw/zinc/09/86/02/936098602.db2.gz PUVCYFPPTUUKBY-UHFFFAOYSA-N 1 3 365.521 3.797 20 0 FHADHO Brc1ccc(CC2(CN[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000657660775 936182124 /nfs/dbraw/zinc/18/21/24/936182124.db2.gz RBWHIUAZIGRKJY-ZWKOTPCHSA-N 1 3 363.343 3.988 20 0 FHADHO Brc1ccc(CC2(CN[C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000657660775 936182125 /nfs/dbraw/zinc/18/21/25/936182125.db2.gz RBWHIUAZIGRKJY-ZWKOTPCHSA-N 1 3 363.343 3.988 20 0 FHADHO CN(C)c1ncc(C[NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCC3)s1 ZINC000657773062 938314687 /nfs/dbraw/zinc/31/46/87/938314687.db2.gz YSISYFWKFAXTEY-SFHVURJKSA-N 1 3 370.566 3.601 20 0 FHADHO CC(C)N1CCC([N@H+](C)Cc2ccc(OCc3ccncc3)cc2)CC1 ZINC000507357446 945170532 /nfs/dbraw/zinc/17/05/32/945170532.db2.gz HKORGSVMAQGPJH-UHFFFAOYSA-N 1 3 353.510 3.965 20 0 FHADHO CC(C)N1CCC([N@@H+](C)Cc2ccc(OCc3ccncc3)cc2)CC1 ZINC000507357446 945170533 /nfs/dbraw/zinc/17/05/33/945170533.db2.gz HKORGSVMAQGPJH-UHFFFAOYSA-N 1 3 353.510 3.965 20 0 FHADHO C[NH2+]Cc1ccccc1CN[C@@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000650757999 938422016 /nfs/dbraw/zinc/42/20/16/938422016.db2.gz GOUJKAROYKJHQF-INIZCTEOSA-N 1 3 354.498 3.787 20 0 FHADHO C[C@H](c1ccccc1)[C@@H](O)C[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000516714357 945177338 /nfs/dbraw/zinc/17/73/38/945177338.db2.gz LEDVSNXYRZMCOT-FUKQBSRTSA-N 1 3 352.522 3.651 20 0 FHADHO CC(C)[N@H+](C)C[C@H](O)CN[C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000660538275 945179675 /nfs/dbraw/zinc/17/96/75/945179675.db2.gz NSGKJOWLLBLZDS-KZNAEPCWSA-N 1 3 358.448 3.632 20 0 FHADHO CC(C)[N@@H+](C)C[C@H](O)CN[C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000660538275 945179679 /nfs/dbraw/zinc/17/96/79/945179679.db2.gz NSGKJOWLLBLZDS-KZNAEPCWSA-N 1 3 358.448 3.632 20 0 FHADHO CC[C@H](CC(F)F)CN1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000660538315 945179855 /nfs/dbraw/zinc/17/98/55/945179855.db2.gz ONQHWDZIOAATIQ-UYAOXDASSA-N 1 3 365.512 3.560 20 0 FHADHO CC[C@H](CC(F)F)CN1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000660538315 945179859 /nfs/dbraw/zinc/17/98/59/945179859.db2.gz ONQHWDZIOAATIQ-UYAOXDASSA-N 1 3 365.512 3.560 20 0 FHADHO CC[C@H](CC(F)F)CN1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000660538314 945180224 /nfs/dbraw/zinc/18/02/24/945180224.db2.gz ONQHWDZIOAATIQ-QUCCMNQESA-N 1 3 365.512 3.560 20 0 FHADHO CC[C@H](CC(F)F)CN1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000660538314 945180230 /nfs/dbraw/zinc/18/02/30/945180230.db2.gz ONQHWDZIOAATIQ-QUCCMNQESA-N 1 3 365.512 3.560 20 0 FHADHO C[C@H](NCCC[NH+]1CCC(O)CC1)c1cccc(OCc2ccccc2)c1 ZINC000151354179 938533005 /nfs/dbraw/zinc/53/30/05/938533005.db2.gz HLXIBNRUAULCFQ-IBGZPJMESA-N 1 3 368.521 3.763 20 0 FHADHO C[C@@H](NCC1CC[NH+](C2CC2)CC1)c1cc(Br)ncc1F ZINC000278566990 938538252 /nfs/dbraw/zinc/53/82/52/938538252.db2.gz XBZQQQDFEXWCPR-LLVKDONJSA-N 1 3 356.283 3.508 20 0 FHADHO Cc1ccc(OC[C@@H](O)CNC2CC[NH+]([C@H](C)c3ccccc3)CC2)cc1 ZINC000584346557 938694301 /nfs/dbraw/zinc/69/43/01/938694301.db2.gz PYPKIZGSIATXOM-KNQAVFIVSA-N 1 3 368.521 3.550 20 0 FHADHO C[N@H+](CCN1CCN(C[C@@H]2C[C@@H]2c2ccccc2)CC1)Cc1ccccc1 ZINC000093104943 938925943 /nfs/dbraw/zinc/92/59/43/938925943.db2.gz RVPHMQDTJPCSFV-BJKOFHAPSA-N 1 3 363.549 3.540 20 0 FHADHO C[N@@H+](CCN1CCN(C[C@@H]2C[C@@H]2c2ccccc2)CC1)Cc1ccccc1 ZINC000093104943 938925944 /nfs/dbraw/zinc/92/59/44/938925944.db2.gz RVPHMQDTJPCSFV-BJKOFHAPSA-N 1 3 363.549 3.540 20 0 FHADHO C[C@@H]1C[NH+](CC2CCN(Cc3ccccc3OC3CC3)CC2)C[C@@H](C)O1 ZINC000685417573 938985032 /nfs/dbraw/zinc/98/50/32/938985032.db2.gz VLJQXQZDYDDVBS-QZTJIDSGSA-N 1 3 358.526 3.549 20 0 FHADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC000657890948 938990186 /nfs/dbraw/zinc/99/01/86/938990186.db2.gz XTFSAKHTMBIIKE-OALUTQOASA-N 1 3 368.521 3.934 20 0 FHADHO C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000708563116 938991523 /nfs/dbraw/zinc/99/15/23/938991523.db2.gz USDXXKGDBJWUTG-SFHLNBCPSA-N 1 3 365.521 3.761 20 0 FHADHO C[NH+]1CCC(CNCc2cc(C(F)(F)F)ccc2Br)CC1 ZINC000685615329 939004990 /nfs/dbraw/zinc/00/49/90/939004990.db2.gz KIJVJWALEOWASY-UHFFFAOYSA-N 1 3 365.237 3.899 20 0 FHADHO C[C@@H](NCC1CC[NH+](C2CCOCC2)CC1)c1nc2c(s1)CCCC2 ZINC000658068693 939021722 /nfs/dbraw/zinc/02/17/22/939021722.db2.gz YEZBKJFLBQVVPB-OAHLLOKOSA-N 1 3 363.571 3.564 20 0 FHADHO COc1ccc([C@H](C)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1Cl ZINC000658143566 939036768 /nfs/dbraw/zinc/03/67/68/939036768.db2.gz ZIHJFUMDWVEVHB-KXBFYZLASA-N 1 3 374.912 3.766 20 0 FHADHO COc1ccc([C@H](C)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1Cl ZINC000658143566 939036769 /nfs/dbraw/zinc/03/67/69/939036769.db2.gz ZIHJFUMDWVEVHB-KXBFYZLASA-N 1 3 374.912 3.766 20 0 FHADHO C[C@H](NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccc(Cl)s1 ZINC000658144666 939036941 /nfs/dbraw/zinc/03/69/41/939036941.db2.gz NLXMHGWIAPOTBK-XJKSGUPXSA-N 1 3 350.915 3.819 20 0 FHADHO C[C@H](NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc(Cl)s1 ZINC000658144666 939036945 /nfs/dbraw/zinc/03/69/45/939036945.db2.gz NLXMHGWIAPOTBK-XJKSGUPXSA-N 1 3 350.915 3.819 20 0 FHADHO O[C@@H]1CC[N@H+](Cc2ccc(CN[C@@H]3CCc4ccc(Cl)cc43)cc2)C1 ZINC000658138852 939041126 /nfs/dbraw/zinc/04/11/26/939041126.db2.gz OOICFGUOBJSCFK-TZIWHRDSSA-N 1 3 356.897 3.684 20 0 FHADHO O[C@@H]1CC[N@@H+](Cc2ccc(CN[C@@H]3CCc4ccc(Cl)cc43)cc2)C1 ZINC000658138852 939041130 /nfs/dbraw/zinc/04/11/30/939041130.db2.gz OOICFGUOBJSCFK-TZIWHRDSSA-N 1 3 356.897 3.684 20 0 FHADHO COc1ccc2c(c1)[C@@H]([NH2+]CC1CCN(Cc3ccncc3)CC1)CC2 ZINC000658163757 939052047 /nfs/dbraw/zinc/05/20/47/939052047.db2.gz ASRQBQLXJQVNLR-QFIPXVFZSA-N 1 3 351.494 3.579 20 0 FHADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@@H]3CCC[C@H]3Cc3cnn(C)c3)CC2)C1 ZINC000658237707 939078920 /nfs/dbraw/zinc/07/89/20/939078920.db2.gz YXSOHXRLQMDMMK-QTPAZIJBSA-N 1 3 358.574 3.764 20 0 FHADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCCOc1c(Cl)cc(Cl)cc1Cl ZINC000163424325 939202236 /nfs/dbraw/zinc/20/22/36/939202236.db2.gz KHSRCDQYUYWGMM-HZMBPMFUSA-N 1 3 351.705 3.955 20 0 FHADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCCOc1c(Cl)cc(Cl)cc1Cl ZINC000163424325 939202243 /nfs/dbraw/zinc/20/22/43/939202243.db2.gz KHSRCDQYUYWGMM-HZMBPMFUSA-N 1 3 351.705 3.955 20 0 FHADHO COc1cc2c(cc1CNCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)O[C@@H](C)C2 ZINC000518267609 945271509 /nfs/dbraw/zinc/27/15/09/945271509.db2.gz NILCKVYUUOQGQS-KSZLIROESA-N 1 3 360.542 3.866 20 0 FHADHO COc1cc2c(cc1CNCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)O[C@@H](C)C2 ZINC000518267609 945271517 /nfs/dbraw/zinc/27/15/17/945271517.db2.gz NILCKVYUUOQGQS-KSZLIROESA-N 1 3 360.542 3.866 20 0 FHADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+][C@@H]4[C@@H]5CCO[C@H]5C45CCCC5)[C@H]3C2)cc1 ZINC000507519943 945298760 /nfs/dbraw/zinc/29/87/60/945298760.db2.gz LQGVXYUROCZODA-CSCWZEDUSA-N 1 3 366.549 3.834 20 0 FHADHO FC(F)(F)[C@@H]1C[C@H]([NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)CCO1 ZINC000289772839 940394918 /nfs/dbraw/zinc/39/49/18/940394918.db2.gz JXNXCSJGKAVFTM-QRVBRYPASA-N 1 3 370.459 3.988 20 0 FHADHO FC(F)(F)[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)CCO1 ZINC000289772843 940395411 /nfs/dbraw/zinc/39/54/11/940395411.db2.gz JXNXCSJGKAVFTM-QYZOEREBSA-N 1 3 370.459 3.988 20 0 FHADHO CC(=O)N1CC[C@H](NCCC[N@@H+](C)Cc2ccccc2)c2ccccc2C1 ZINC000376177194 940422845 /nfs/dbraw/zinc/42/28/45/940422845.db2.gz GAURJKXEJGGWFR-QHCPKHFHSA-N 1 3 365.521 3.592 20 0 FHADHO CC(=O)N1CC[C@H](NCCC[N@H+](C)Cc2ccccc2)c2ccccc2C1 ZINC000376177194 940422847 /nfs/dbraw/zinc/42/28/47/940422847.db2.gz GAURJKXEJGGWFR-QHCPKHFHSA-N 1 3 365.521 3.592 20 0 FHADHO C[C@@H](C(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)N1CCCCCC1 ZINC000472503095 940445507 /nfs/dbraw/zinc/44/55/07/940445507.db2.gz RVSDZFNBVAPBOF-CUXKYVRBSA-N 1 3 371.569 3.524 20 0 FHADHO C[C@@H](C(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)N1CCCCCC1 ZINC000472503095 940445508 /nfs/dbraw/zinc/44/55/08/940445508.db2.gz RVSDZFNBVAPBOF-CUXKYVRBSA-N 1 3 371.569 3.524 20 0 FHADHO COc1ccc([C@H](C)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c(C)c1 ZINC000414127752 940638206 /nfs/dbraw/zinc/63/82/06/940638206.db2.gz SOTRRJMLZDJPRN-NOXFTYBFSA-N 1 3 368.521 3.537 20 0 FHADHO COc1ccc([C@H](C)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)c(C)c1 ZINC000414127752 940638208 /nfs/dbraw/zinc/63/82/08/940638208.db2.gz SOTRRJMLZDJPRN-NOXFTYBFSA-N 1 3 368.521 3.537 20 0 FHADHO CC[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2)[C@H]1C[C@@H]1C ZINC000414151812 940680963 /nfs/dbraw/zinc/68/09/63/940680963.db2.gz WPQJEFKPPYKGBX-FKVLARQCSA-N 1 3 356.554 3.939 20 0 FHADHO CO[C@H]1c2ccccc2C[C@H]1N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000414219497 940787240 /nfs/dbraw/zinc/78/72/40/940787240.db2.gz HMVXLJXPKQDFEX-TYFWRSTJSA-N 1 3 350.506 3.942 20 0 FHADHO CO[C@H]1c2ccccc2C[C@H]1N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000414219497 940787241 /nfs/dbraw/zinc/78/72/41/940787241.db2.gz HMVXLJXPKQDFEX-TYFWRSTJSA-N 1 3 350.506 3.942 20 0 FHADHO CCn1cc([C@@H]2OCC[C@H]2CNC2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)cn1 ZINC000414240712 940821154 /nfs/dbraw/zinc/82/11/54/940821154.db2.gz FBRCUJGMXIQUMG-MOXQZVSFSA-N 1 3 374.573 3.613 20 0 FHADHO CCC[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1ccccn1 ZINC000414311780 940943953 /nfs/dbraw/zinc/94/39/53/940943953.db2.gz VJRWUFQXMBGQDU-HXUWFJFHSA-N 1 3 353.510 3.540 20 0 FHADHO Cc1cc(CNC2CC[NH+](CCOC(C)C)CC2)ccc1C(F)(F)F ZINC000414365557 941057598 /nfs/dbraw/zinc/05/75/98/941057598.db2.gz OSUNYJDCSYEGNS-UHFFFAOYSA-N 1 3 358.448 3.993 20 0 FHADHO COc1ccc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1Br ZINC000647544015 941065868 /nfs/dbraw/zinc/06/58/68/941065868.db2.gz VOOQMCSRTQRRIG-HZPDHXFCSA-N 1 3 367.331 3.669 20 0 FHADHO C[C@@H]([NH3+])c1ccc(NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)cc1 ZINC000178248431 941211726 /nfs/dbraw/zinc/21/17/26/941211726.db2.gz AIXZABIKLWQZGK-QAPCUYQASA-N 1 3 355.457 3.696 20 0 FHADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(Cc2ccccc2OC2CCCC2)CC1 ZINC000415122372 941617651 /nfs/dbraw/zinc/61/76/51/941617651.db2.gz IFIFRKOHKXTEAF-RBBKRZOGSA-N 1 3 358.526 3.726 20 0 FHADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(Cc3ccc(-c4ccccc4F)o3)CC2)C1 ZINC000415122716 941619614 /nfs/dbraw/zinc/61/96/14/941619614.db2.gz KLOSLIIRJPURGL-IIBYNOLFSA-N 1 3 358.457 3.804 20 0 FHADHO CN1CC[NH+]([C@@H]2CCCCN(CCCc3c(F)cccc3Cl)C2)CC1 ZINC000377619210 941848452 /nfs/dbraw/zinc/84/84/52/941848452.db2.gz CGSSXJKPFFNESI-QGZVFWFLSA-N 1 3 367.940 3.514 20 0 FHADHO C[C@H](c1ccccc1C(F)(F)F)[N@@H+]1CCC[C@@H](CN2CCN(C)CC2)C1 ZINC000377628024 941854819 /nfs/dbraw/zinc/85/48/19/941854819.db2.gz QBBRQGXGVKENQW-SJORKVTESA-N 1 3 369.475 3.726 20 0 FHADHO C[C@H](c1ccccc1C(F)(F)F)[N@H+]1CCC[C@@H](CN2CCN(C)CC2)C1 ZINC000377628024 941854824 /nfs/dbraw/zinc/85/48/24/941854824.db2.gz QBBRQGXGVKENQW-SJORKVTESA-N 1 3 369.475 3.726 20 0 FHADHO O[C@@H](C[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1)c1cccc(F)c1 ZINC000311991131 941939070 /nfs/dbraw/zinc/93/90/70/941939070.db2.gz PZCLUCMDTAMLSS-KNQAVFIVSA-N 1 3 356.485 3.751 20 0 FHADHO CCCOc1ccc(C(C)(C)[NH2+]CCCN2CCN(C(C)C)CC2)cc1 ZINC000501913752 942120607 /nfs/dbraw/zinc/12/06/07/942120607.db2.gz FFMFFNUOIYRMAJ-UHFFFAOYSA-N 1 3 361.574 3.716 20 0 FHADHO CC[NH2+]Cc1cccc(NC(=O)NC[C@@H](N[C@@H](C)CC)c2ccco2)c1 ZINC000415936310 942158599 /nfs/dbraw/zinc/15/85/99/942158599.db2.gz TWTIJZDZVGUBHH-MAUKXSAKSA-N 1 3 358.486 3.640 20 0 FHADHO Cc1ccccc1O[C@@H]1CCCC[C@H]1[NH2+]CCCN1CCN(C(C)C)CC1 ZINC000502002655 942164053 /nfs/dbraw/zinc/16/40/53/942164053.db2.gz BALYZYOWDMDIPN-FYYLOGMGSA-N 1 3 373.585 3.691 20 0 FHADHO CC(C)C1CCC(N2CCN(C(=O)Nc3ccc4c(c3)C[NH2+]C4)CC2)CC1 ZINC000415999435 942249379 /nfs/dbraw/zinc/24/93/79/942249379.db2.gz VEVTWVPKLMSSAR-UHFFFAOYSA-N 1 3 370.541 3.654 20 0 FHADHO COc1ccc2oc([C@H](C)[NH2+]CCCN3CCN(C(C)C)CC3)c(C)c2c1 ZINC000501022902 942266863 /nfs/dbraw/zinc/26/68/63/942266863.db2.gz KNQGJCXCDQEVSU-SFHVURJKSA-N 1 3 373.541 3.817 20 0 FHADHO CCN1CCC([N@@H+]2CCCN(CCCOc3ccc(C)c(C)c3)CC2)CC1 ZINC000420972541 942286628 /nfs/dbraw/zinc/28/66/28/942286628.db2.gz BEWFPIPEKSNNMY-UHFFFAOYSA-N 1 3 373.585 3.564 20 0 FHADHO CCN1CCC([N@H+]2CCCN(CCCOc3ccc(C)c(C)c3)CC2)CC1 ZINC000420972541 942286633 /nfs/dbraw/zinc/28/66/33/942286633.db2.gz BEWFPIPEKSNNMY-UHFFFAOYSA-N 1 3 373.585 3.564 20 0 FHADHO CCN1CCC([N@@H+]2CCCN([C@H]3CCc4ccc(Cl)cc43)CC2)CC1 ZINC000420977081 942287922 /nfs/dbraw/zinc/28/79/22/942287922.db2.gz HQXGIUAIFITDPS-NRFANRHFSA-N 1 3 361.961 3.819 20 0 FHADHO CCN1CCC([N@H+]2CCCN([C@H]3CCc4ccc(Cl)cc43)CC2)CC1 ZINC000420977081 942287927 /nfs/dbraw/zinc/28/79/27/942287927.db2.gz HQXGIUAIFITDPS-NRFANRHFSA-N 1 3 361.961 3.819 20 0 FHADHO CCCC[NH+](CCCC)CCNc1cccc2cc([C@@H]3CNCCO3)cn21 ZINC001167733515 942486661 /nfs/dbraw/zinc/48/66/61/942486661.db2.gz XYOJDAIFLJODSI-NRFANRHFSA-N 1 3 372.557 3.914 20 0 FHADHO OC[C@H]1CCC[N@@H+]1Cc1ccccc1CNCc1cccc(C2CC2)c1 ZINC000421338328 942510429 /nfs/dbraw/zinc/51/04/29/942510429.db2.gz FAWOLRBDTFSMLN-HSZRJFAPSA-N 1 3 350.506 3.811 20 0 FHADHO OC[C@H]1CCC[N@H+]1Cc1ccccc1CNCc1cccc(C2CC2)c1 ZINC000421338328 942510434 /nfs/dbraw/zinc/51/04/34/942510434.db2.gz FAWOLRBDTFSMLN-HSZRJFAPSA-N 1 3 350.506 3.811 20 0 FHADHO Cc1ccc(OCc2nc(CNC3CCC([NH+](C)C)CC3)cs2)cc1 ZINC000421377953 942528668 /nfs/dbraw/zinc/52/86/68/942528668.db2.gz URHSJKQTPYCSIJ-UHFFFAOYSA-N 1 3 359.539 3.993 20 0 FHADHO CC[NH+]1CCC(N2CCCN(Cc3cc4cc(F)ccc4o3)CC2)CC1 ZINC000421382638 942536393 /nfs/dbraw/zinc/53/63/93/942536393.db2.gz YJHPKFIGXCUCNZ-UHFFFAOYSA-N 1 3 359.489 3.564 20 0 FHADHO C[NH2+]CCC1CCN(Cc2cc(C)nc(-c3ccc(Cl)cc3)n2)CC1 ZINC000420303967 942612241 /nfs/dbraw/zinc/61/22/41/942612241.db2.gz IDXPCGLBYSXLBR-UHFFFAOYSA-N 1 3 358.917 3.927 20 0 FHADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@@H]2c2cccc(N(C)C)c2)cc1 ZINC000420328213 942630546 /nfs/dbraw/zinc/63/05/46/942630546.db2.gz ZQGHMLSORAMYLT-DENIHFKCSA-N 1 3 353.510 3.641 20 0 FHADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@@H]2c2cccc(N(C)C)c2)cc1 ZINC000420328213 942630548 /nfs/dbraw/zinc/63/05/48/942630548.db2.gz ZQGHMLSORAMYLT-DENIHFKCSA-N 1 3 353.510 3.641 20 0 FHADHO CC1(C)C[NH2+]CC[C@H]1NCCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000420362338 942638749 /nfs/dbraw/zinc/63/87/49/942638749.db2.gz MZUOVBYJTKJJDX-HXUWFJFHSA-N 1 3 367.493 3.785 20 0 FHADHO COc1cccc(CN(C)CC[C@H]2CC[NH2+]C2)c1OCc1ccccc1F ZINC000420363714 942640039 /nfs/dbraw/zinc/64/00/39/942640039.db2.gz CBRNLEXUUIMBEP-QGZVFWFLSA-N 1 3 372.484 3.845 20 0 FHADHO O=C(CCN1CCCC[C@H]1[C@@H]1CC[NH2+]C1)Nc1cccc2ccccc21 ZINC000420403440 942661639 /nfs/dbraw/zinc/66/16/39/942661639.db2.gz RMWSMUPKZWQHLH-NQIIRXRSSA-N 1 3 351.494 3.632 20 0 FHADHO COc1ccc([C@H](C)[NH2+][C@@H]2CCc3c[nH]nc3C2)cc1CN1CCCCC1 ZINC000378512196 942845809 /nfs/dbraw/zinc/84/58/09/942845809.db2.gz JVFDUYQVRZHCPC-OXJNMPFZSA-N 1 3 368.525 3.612 20 0 FHADHO Cc1ccc2c(CN[C@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)ccc(O)c2n1 ZINC000514248350 942848705 /nfs/dbraw/zinc/84/87/05/942848705.db2.gz ORKPNTZSHUCPOE-AEFFLSMTSA-N 1 3 353.510 3.991 20 0 FHADHO Cc1ccc2c(CN[C@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)ccc(O)c2n1 ZINC000514248350 942848714 /nfs/dbraw/zinc/84/87/14/942848714.db2.gz ORKPNTZSHUCPOE-AEFFLSMTSA-N 1 3 353.510 3.991 20 0 FHADHO Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)N[C@H](C[NH3+])C1CCCCC1 ZINC000414856185 942997619 /nfs/dbraw/zinc/99/76/19/942997619.db2.gz YLLKJRZLPOXUIF-RDTXWAMCSA-N 1 3 351.922 3.863 20 0 FHADHO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)N[C@H](C[NH3+])C1CCCCC1 ZINC000414856995 943031253 /nfs/dbraw/zinc/03/12/53/943031253.db2.gz ZYWOTRSGDJTPCG-SUMWQHHRSA-N 1 3 371.447 3.920 20 0 FHADHO C[C@H](NCCC(=O)N1CCCc2ccccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000503198459 943048399 /nfs/dbraw/zinc/04/83/99/943048399.db2.gz LEYLRTXWSOERAO-ICSRJNTNSA-N 1 3 369.553 3.599 20 0 FHADHO C[C@H](NCCC(=O)N1CCCc2ccccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000503198459 943048412 /nfs/dbraw/zinc/04/84/12/943048412.db2.gz LEYLRTXWSOERAO-ICSRJNTNSA-N 1 3 369.553 3.599 20 0 FHADHO Fc1ccc(Br)cc1CCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422706257 943241205 /nfs/dbraw/zinc/24/12/05/943241205.db2.gz UBXBSCDXLPDLIH-OIISXLGYSA-N 1 3 355.295 3.641 20 0 FHADHO c1cn(Cc2ccc(-c3ccccc3CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)cn1 ZINC000422714897 943253908 /nfs/dbraw/zinc/25/39/08/943253908.db2.gz LOJCVIIAKJDJDZ-AIZNXBIQSA-N 1 3 372.516 3.971 20 0 FHADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1cccc(NC(=O)c2cccc(F)c2)c1 ZINC000422714791 943253989 /nfs/dbraw/zinc/25/39/89/943253989.db2.gz RNFBHBTZNJFATA-YLJYHZDGSA-N 1 3 355.457 3.685 20 0 FHADHO C[C@@H]([NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1)[C@@H]1CCCCN1 ZINC000422718003 943255561 /nfs/dbraw/zinc/25/55/61/943255561.db2.gz WOQWAVPHVRAUHU-BEFAXECRSA-N 1 3 369.475 3.790 20 0 FHADHO C[C@@H](NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422718003 943255568 /nfs/dbraw/zinc/25/55/68/943255568.db2.gz WOQWAVPHVRAUHU-BEFAXECRSA-N 1 3 369.475 3.790 20 0 FHADHO C/C(=C/c1ccccc1C(F)(F)F)CNC1(CCO)CC[NH+](C)CC1 ZINC000503560257 943261779 /nfs/dbraw/zinc/26/17/79/943261779.db2.gz SQJYAQUFLKSAQF-SQFISAMPSA-N 1 3 356.432 3.545 20 0 FHADHO CC(C)(CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)c1ccc(F)cc1Cl ZINC000422737742 943264572 /nfs/dbraw/zinc/26/45/72/943264572.db2.gz XVTKLQBWCOYSIQ-JCGIZDLHSA-N 1 3 354.897 3.503 20 0 FHADHO COc1cccc(N2CCC[C@H](N[C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)C2)c1 ZINC000422768899 943275516 /nfs/dbraw/zinc/27/55/16/943275516.db2.gz VCCQKZCCQHVSQM-AGOPTVSRSA-N 1 3 357.542 3.564 20 0 FHADHO COc1ccc(C[C@H](N[C@H]2CCC[NH2+]CC2)c2ccc(OC)cc2)cc1 ZINC000422771849 943277807 /nfs/dbraw/zinc/27/78/07/943277807.db2.gz RRFYTILEDBBHFG-UGKGYDQZSA-N 1 3 354.494 3.719 20 0 FHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCCN(c2ccccc2Cl)C1 ZINC000422775195 943278565 /nfs/dbraw/zinc/27/85/65/943278565.db2.gz AMZSEQQOGXWMIC-DOTOQJQBSA-N 1 3 358.917 3.822 20 0 FHADHO CCN(CC)[C@H](C[NH2+][C@H](C)c1ccc(CN)nc1C)c1cccc(OC)c1 ZINC000422800037 943287757 /nfs/dbraw/zinc/28/77/57/943287757.db2.gz ZEYFOIYGEPVSOY-OPAMFIHVSA-N 1 3 370.541 3.591 20 0 FHADHO Cc1ccc([C@H](C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)N)N2CCCC2)cc1 ZINC000422822302 943296539 /nfs/dbraw/zinc/29/65/39/943296539.db2.gz AODMPWHEOFKLFN-OIBXWCBGSA-N 1 3 351.538 3.680 20 0 FHADHO C[C@@H](c1ccc(-c2ccccc2)cc1)[N@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414696284 943300502 /nfs/dbraw/zinc/30/05/02/943300502.db2.gz HDVXNAQLYKIQBC-OALUTQOASA-N 1 3 365.521 3.544 20 0 FHADHO C[C@@H](c1ccc(-c2ccccc2)cc1)[N@@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414696284 943300504 /nfs/dbraw/zinc/30/05/04/943300504.db2.gz HDVXNAQLYKIQBC-OALUTQOASA-N 1 3 365.521 3.544 20 0 FHADHO C[C@H](c1ccc(-c2ccccc2)cc1)[N@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414696280 943300566 /nfs/dbraw/zinc/30/05/66/943300566.db2.gz HDVXNAQLYKIQBC-MOPGFXCFSA-N 1 3 365.521 3.544 20 0 FHADHO C[C@H](c1ccc(-c2ccccc2)cc1)[N@@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414696280 943300572 /nfs/dbraw/zinc/30/05/72/943300572.db2.gz HDVXNAQLYKIQBC-MOPGFXCFSA-N 1 3 365.521 3.544 20 0 FHADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000422850934 943305471 /nfs/dbraw/zinc/30/54/71/943305471.db2.gz WIPKCGCMAWYPKC-YLJYHZDGSA-N 1 3 355.457 3.685 20 0 FHADHO Clc1cccc([C@H](CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)N2CCCC2)c1 ZINC000422843423 943312276 /nfs/dbraw/zinc/31/22/76/943312276.db2.gz IFPGVYIJFUAHTQ-MHTWAQMVSA-N 1 3 361.961 3.987 20 0 FHADHO C[C@H](c1cccs1)[N@@H+](Cc1ccccc1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414700998 943313728 /nfs/dbraw/zinc/31/37/28/943313728.db2.gz JWNQRYVFZSVYJX-MJGOQNOKSA-N 1 3 371.550 3.509 20 0 FHADHO C[C@H](c1cccs1)[N@H+](Cc1ccccc1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414700998 943313732 /nfs/dbraw/zinc/31/37/32/943313732.db2.gz JWNQRYVFZSVYJX-MJGOQNOKSA-N 1 3 371.550 3.509 20 0 FHADHO CCOc1ccc(C2(CN[C@H]3C[C@@H]([NH3+])c4ccccc43)CCOCC2)cc1 ZINC000422883726 943316976 /nfs/dbraw/zinc/31/69/76/943316976.db2.gz VKUPPWLIDREZTA-YADHBBJMSA-N 1 3 366.505 3.868 20 0 FHADHO N[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC000422887559 943318968 /nfs/dbraw/zinc/31/89/68/943318968.db2.gz BGGJFWMLBSNJGX-UXHICEINSA-N 1 3 355.457 3.828 20 0 FHADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCc1ccccc1OC(F)(F)F ZINC000422924330 943332872 /nfs/dbraw/zinc/33/28/72/943332872.db2.gz AODUUYMEYZANLX-RHSMWYFYSA-N 1 3 352.400 3.676 20 0 FHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCCC(=O)Nc1ccc(Cl)cc1 ZINC000422940103 943338895 /nfs/dbraw/zinc/33/88/95/943338895.db2.gz IQSXKTGTVXDAAE-CYBMUJFWSA-N 1 3 360.889 3.572 20 0 FHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H](C)Cc1ccc(Br)cc1 ZINC000422943175 943340362 /nfs/dbraw/zinc/34/03/62/943340362.db2.gz QMAMANBQWPMKHG-QWHCGFSZSA-N 1 3 362.315 3.893 20 0 FHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC1(c2ccccc2Cl)CCOCC1 ZINC000422959651 943350819 /nfs/dbraw/zinc/35/08/19/943350819.db2.gz TUKIIRWAOITTBW-HNNXBMFYSA-N 1 3 373.928 3.901 20 0 FHADHO COc1cc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(-c2ccccc2)cc1OC ZINC000435377643 943358110 /nfs/dbraw/zinc/35/81/10/943358110.db2.gz DWDNAAHMNWTXPH-PWIZWCRZSA-N 1 3 352.478 3.540 20 0 FHADHO Cc1nc(C[NH3+])ccc1[C@@H](C)NCc1cccc(COCC(F)(F)F)c1 ZINC000423002857 943361635 /nfs/dbraw/zinc/36/16/35/943361635.db2.gz KBDPTAQRPYLUJO-CYBMUJFWSA-N 1 3 367.415 3.778 20 0 FHADHO [NH3+][C@@H]1CC[C@H]2CN(Cc3cccc(NC(=O)c4ccccc4Cl)c3)C[C@@H]12 ZINC000435379151 943368214 /nfs/dbraw/zinc/36/82/14/943368214.db2.gz LFCJNUUZOLSUQW-QKYXUNIQSA-N 1 3 369.896 3.761 20 0 FHADHO CC(C)c1ccc([C@@H]2CCCC[N@@H+]2C[C@@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414713237 943374215 /nfs/dbraw/zinc/37/42/15/943374215.db2.gz UDRPPLHLYBJJSF-RXVVDRJESA-N 1 3 357.542 3.534 20 0 FHADHO CC(C)c1ccc([C@@H]2CCCC[N@H+]2C[C@@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414713237 943374222 /nfs/dbraw/zinc/37/42/22/943374222.db2.gz UDRPPLHLYBJJSF-RXVVDRJESA-N 1 3 357.542 3.534 20 0 FHADHO Cc1cc(CN2CCC[C@@H]([C@@H](C)[NH3+])C2)cc(C)c1OCc1ccccn1 ZINC000435387361 943374216 /nfs/dbraw/zinc/37/42/16/943374216.db2.gz ZWIVIXUBVPNAKJ-UYAOXDASSA-N 1 3 353.510 3.837 20 0 FHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000423051464 943383647 /nfs/dbraw/zinc/38/36/47/943383647.db2.gz NJWHZWXYEOGROO-ORYQWCPZSA-N 1 3 353.510 3.883 20 0 FHADHO C[C@H](C[C@H](C)[NH3+])NC[C@@H](c1ccc(Cl)cc1)N(C)CCC(F)(F)F ZINC000423097095 943392533 /nfs/dbraw/zinc/39/25/33/943392533.db2.gz AHHDHWPBNWAFLK-ZENOOKHLSA-N 1 3 365.871 3.981 20 0 FHADHO NC[C@H]1CCCC[C@H]1[NH2+][C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000423097927 943393413 /nfs/dbraw/zinc/39/34/13/943393413.db2.gz RNAWCBIOICIQFD-VMUDFCTBSA-N 1 3 355.295 3.941 20 0 FHADHO CSCc1ccc(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000423100472 943394024 /nfs/dbraw/zinc/39/40/24/943394024.db2.gz BTWXHLLROSYVMU-PZJWPPBQSA-N 1 3 354.519 3.895 20 0 FHADHO c1cc(CN(Cc2ccc3c(c2)CCO3)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000414720143 943408762 /nfs/dbraw/zinc/40/87/62/943408762.db2.gz BDNQMSUWBXMLMV-FQEVSTJZSA-N 1 3 354.519 3.827 20 0 FHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C/C=C\c1ccc(Br)cc1 ZINC000423153698 943411687 /nfs/dbraw/zinc/41/16/87/943411687.db2.gz GTGGXFWURCXKMR-SCOBNMCVSA-N 1 3 360.299 3.975 20 0 FHADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCc1cnc(SC2CCCC2)nc1 ZINC000423138519 943415776 /nfs/dbraw/zinc/41/57/76/943415776.db2.gz TVLRKXDNCZWZKK-OXJNMPFZSA-N 1 3 370.566 3.602 20 0 FHADHO Cc1ccc(Oc2ccccc2CCN[C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])cc1 ZINC000423173423 943425970 /nfs/dbraw/zinc/42/59/70/943425970.db2.gz YNYVIKXFPDIMHA-DUXKGJEZSA-N 1 3 354.494 3.672 20 0 FHADHO CC(C)[NH+](CCN(C)C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1)C(C)C ZINC000503986612 943443135 /nfs/dbraw/zinc/44/31/35/943443135.db2.gz LWGIGDASHQAIQE-CTNGQTDRSA-N 1 3 374.573 3.582 20 0 FHADHO Brc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC[C@H]1CCC[NH2+]C1 ZINC000423220055 943448261 /nfs/dbraw/zinc/44/82/61/943448261.db2.gz XVEHUGCOCDDUDY-YVEFUNNKSA-N 1 3 362.315 3.897 20 0 FHADHO C[C@H](N[C@H]1CCCC[C@H]1C[NH3+])c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423264569 943455691 /nfs/dbraw/zinc/45/56/91/943455691.db2.gz ABOCIVGOFRZCJD-KNBMTAEXSA-N 1 3 364.555 3.571 20 0 FHADHO C[NH2+]C[C@H](C)CN[C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000423283162 943463534 /nfs/dbraw/zinc/46/35/34/943463534.db2.gz XJNBSWVSPFGWKB-MEDUHNTESA-N 1 3 350.304 3.753 20 0 FHADHO C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000423394961 943500649 /nfs/dbraw/zinc/50/06/49/943500649.db2.gz NASGKMPQCBLTOX-JEBQAFNWSA-N 1 3 367.331 3.504 20 0 FHADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000423394961 943500657 /nfs/dbraw/zinc/50/06/57/943500657.db2.gz NASGKMPQCBLTOX-JEBQAFNWSA-N 1 3 367.331 3.504 20 0 FHADHO C[C@@H]1C[NH2+]CC[C@H]1N[C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000423403834 943507517 /nfs/dbraw/zinc/50/75/17/943507517.db2.gz SGKOSHGWGZIODC-JGFGOQIWSA-N 1 3 362.315 3.895 20 0 FHADHO COc1ccc([C@H](C)N[C@@H](CCC[NH3+])c2ccccc2)cc1NC(C)=O ZINC000423501023 943530105 /nfs/dbraw/zinc/53/01/05/943530105.db2.gz KUVJJFHMPLIHLC-KXBFYZLASA-N 1 3 355.482 3.784 20 0 FHADHO COc1ccc([C@@H](C)[C@H](C)[NH2+][C@@H]2CNC[C@H]2c2ccccc2)cc1OC ZINC000423532730 943539918 /nfs/dbraw/zinc/53/99/18/943539918.db2.gz RSUYMBTWJBOQFH-CPLUKWAASA-N 1 3 354.494 3.541 20 0 FHADHO COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CNC[C@H]2c2ccccc2)cc1OC ZINC000423532731 943540174 /nfs/dbraw/zinc/54/01/74/943540174.db2.gz RSUYMBTWJBOQFH-GIYDNNGJSA-N 1 3 354.494 3.541 20 0 FHADHO CC(C)N1CC[C@H]([NH2+]CC[C@H]2CCCCN2C)[C@@H]1c1ccc(F)c(F)c1 ZINC000549478070 943846626 /nfs/dbraw/zinc/84/66/26/943846626.db2.gz OUKXTYJRDRTHPS-QMMLZNLJSA-N 1 3 365.512 3.953 20 0 FHADHO Clc1nccc2cc(C[NH2+]C3CCN(C[C@@H]4CCOC4)CC3)sc21 ZINC000894290034 943881803 /nfs/dbraw/zinc/88/18/03/943881803.db2.gz XYONSDRBZUVGGU-ZDUSSCGKSA-N 1 3 365.930 3.540 20 0 FHADHO CC[NH+]1CCC(N2CCC(C(=O)N(CC(C)C)CC(C)(C)C)CC2)CC1 ZINC000515497610 943926606 /nfs/dbraw/zinc/92/66/06/943926606.db2.gz XAYXKZUDCARYSP-UHFFFAOYSA-N 1 3 365.606 3.713 20 0 FHADHO CCCC[C@@H](CN)[NH2+]Cc1cccc(NC(=O)c2ccc(OC)cc2)c1 ZINC000414806900 944053290 /nfs/dbraw/zinc/05/32/90/944053290.db2.gz BXRUPYIMUBLIOK-IBGZPJMESA-N 1 3 355.482 3.555 20 0 FHADHO Cc1ccc([C@@H]2CCC[C@@H]2[N@@H+](C)CCCN2CCN(C(C)C)CC2)cc1 ZINC000500116945 944123421 /nfs/dbraw/zinc/12/34/21/944123421.db2.gz PIAURPGFSADTIQ-GOTSBHOMSA-N 1 3 357.586 3.979 20 0 FHADHO Cc1ccc([C@@H]2CCC[C@@H]2[N@H+](C)CCCN2CCN(C(C)C)CC2)cc1 ZINC000500116945 944123425 /nfs/dbraw/zinc/12/34/25/944123425.db2.gz PIAURPGFSADTIQ-GOTSBHOMSA-N 1 3 357.586 3.979 20 0 FHADHO CCCN1CCN(c2ccccc2CNc2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000414815758 944127475 /nfs/dbraw/zinc/12/74/75/944127475.db2.gz UZEREFWRVVYYOQ-SFHVURJKSA-N 1 3 352.526 3.850 20 0 FHADHO C[NH+](C)CCCOc1ccc(CNCc2c[nH]nc2-c2ccsc2)cc1 ZINC000436236491 944138827 /nfs/dbraw/zinc/13/88/27/944138827.db2.gz FVRCYXOYTYKQNI-UHFFFAOYSA-N 1 3 370.522 3.759 20 0 FHADHO C[C@H]([NH3+])CCN[C@@H](C)COc1ccc2cc(Br)ccc2c1 ZINC000414818101 944139041 /nfs/dbraw/zinc/13/90/41/944139041.db2.gz CSAIDBPTYLRKTO-STQMWFEESA-N 1 3 351.288 3.697 20 0 FHADHO CC1CC[NH+](C2CCC(N[C@@H](c3nnc[nH]3)c3ccccc3)CC2)CC1 ZINC000278830639 944212636 /nfs/dbraw/zinc/21/26/36/944212636.db2.gz CNWZJWMZOQTNRN-SOAGJPPSSA-N 1 3 353.514 3.527 20 0 FHADHO CSC1(CNCc2ccc(-c3ccncc3)cc2F)CC[NH+](C)CC1 ZINC000515924053 944333227 /nfs/dbraw/zinc/33/32/27/944333227.db2.gz CLYYXWVCWCXYRP-UHFFFAOYSA-N 1 3 359.514 3.805 20 0 FHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cccc(C(F)F)c3)CC2)CC1 ZINC000517584973 944417979 /nfs/dbraw/zinc/41/79/79/944417979.db2.gz PNKYSJZZMYAHOJ-UHFFFAOYSA-N 1 3 365.468 3.759 20 0 FHADHO Brc1ccc(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001167962610 944477844 /nfs/dbraw/zinc/47/78/44/944477844.db2.gz YYUVSVGQKGGJCQ-YQQQUEKLSA-N 1 3 363.343 3.987 20 0 FHADHO Brc1ccc(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167962610 944477855 /nfs/dbraw/zinc/47/78/55/944477855.db2.gz YYUVSVGQKGGJCQ-YQQQUEKLSA-N 1 3 363.343 3.987 20 0 FHADHO CC(C)c1nnc(CC[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)s1 ZINC000426350344 944527828 /nfs/dbraw/zinc/52/78/28/944527828.db2.gz HMBKTVNYMBGUQD-WMZOPIPTSA-N 1 3 358.555 3.704 20 0 FHADHO CC(C)c1nnc(CCN[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000426350344 944527842 /nfs/dbraw/zinc/52/78/42/944527842.db2.gz HMBKTVNYMBGUQD-WMZOPIPTSA-N 1 3 358.555 3.704 20 0 FHADHO CC(C)c1nnc(CCN[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000426350344 944527847 /nfs/dbraw/zinc/52/78/47/944527847.db2.gz HMBKTVNYMBGUQD-WMZOPIPTSA-N 1 3 358.555 3.704 20 0 FHADHO c1cncc(OCC2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)c1 ZINC001167983269 944615973 /nfs/dbraw/zinc/61/59/73/944615973.db2.gz DPTBTAHPANWBIO-WCRBZPEASA-N 1 3 355.526 3.578 20 0 FHADHO c1cncc(OCC2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)c1 ZINC001167983269 944615987 /nfs/dbraw/zinc/61/59/87/944615987.db2.gz DPTBTAHPANWBIO-WCRBZPEASA-N 1 3 355.526 3.578 20 0 FHADHO c1cncc(OCC2CC[NH+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)CC2)c1 ZINC001167983269 944615997 /nfs/dbraw/zinc/61/59/97/944615997.db2.gz DPTBTAHPANWBIO-WCRBZPEASA-N 1 3 355.526 3.578 20 0 FHADHO c1ccc([C@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)N2CCCC2)cc1 ZINC001167964556 944624317 /nfs/dbraw/zinc/62/43/17/944624317.db2.gz SOIJCLXNAUVWRC-GLCCWIKHSA-N 1 3 353.554 3.819 20 0 FHADHO c1ccc([C@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)N2CCCC2)cc1 ZINC001167964556 944624322 /nfs/dbraw/zinc/62/43/22/944624322.db2.gz SOIJCLXNAUVWRC-GLCCWIKHSA-N 1 3 353.554 3.819 20 0 FHADHO Cc1cccc(CCN(C)[C@@H]2CCC[N@H+](CCc3cccc(C)n3)CC2)n1 ZINC000516283932 944688239 /nfs/dbraw/zinc/68/82/39/944688239.db2.gz RODNRIXFONAAGL-HSZRJFAPSA-N 1 3 366.553 3.665 20 0 FHADHO Cc1cccc(CCN(C)[C@@H]2CCC[N@@H+](CCc3cccc(C)n3)CC2)n1 ZINC000516283932 944688243 /nfs/dbraw/zinc/68/82/43/944688243.db2.gz RODNRIXFONAAGL-HSZRJFAPSA-N 1 3 366.553 3.665 20 0 FHADHO C[NH+](C)CCc1ccccc1NC(=O)c1cccc(CN2CCCC2)c1 ZINC000438572491 944809520 /nfs/dbraw/zinc/80/95/20/944809520.db2.gz RFPOYDOMQOUCQD-UHFFFAOYSA-N 1 3 351.494 3.639 20 0 FHADHO CCC[C@@]1(C)CCCN(C(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)C1 ZINC000516489673 944937300 /nfs/dbraw/zinc/93/73/00/944937300.db2.gz DJYDJFKMWZVAKV-QFIPXVFZSA-N 1 3 363.590 3.612 20 0 FHADHO O[C@@H]1CCC[C@@H]1N1CCC([NH2+][C@@H]2CC3(CCCC3)Oc3ccccc32)CC1 ZINC000537961557 945533827 /nfs/dbraw/zinc/53/38/27/945533827.db2.gz ONBKRKXWTIBRFJ-QHAWAJNXSA-N 1 3 370.537 3.790 20 0 FHADHO Cc1noc2ncc(C[NH2+][C@H](C)[C@@H]3CCN(Cc4ccccc4)C3)cc12 ZINC000894422991 945621034 /nfs/dbraw/zinc/62/10/34/945621034.db2.gz NOHASCAZABYDRR-DNVCBOLYSA-N 1 3 350.466 3.531 20 0 FHADHO Cc1nc(C(C)C)ccc1CN1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000519694022 945667259 /nfs/dbraw/zinc/66/72/59/945667259.db2.gz UWICRLHGRMVRAX-HDICACEKSA-N 1 3 359.558 3.835 20 0 FHADHO Cc1nc(C(C)C)ccc1CN1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000519694022 945667263 /nfs/dbraw/zinc/66/72/63/945667263.db2.gz UWICRLHGRMVRAX-HDICACEKSA-N 1 3 359.558 3.835 20 0 FHADHO Clc1cc(Br)ccc1CCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000645504402 945979610 /nfs/dbraw/zinc/97/96/10/945979610.db2.gz IYVJZUZQYYYPQC-HUUCEWRRSA-N 1 3 357.723 3.861 20 0 FHADHO Clc1cc(Br)ccc1CCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000645504402 945979617 /nfs/dbraw/zinc/97/96/17/945979617.db2.gz IYVJZUZQYYYPQC-HUUCEWRRSA-N 1 3 357.723 3.861 20 0 FHADHO CCc1c(C)[nH+]c2ccccc2c1N1CCC(CN2CCOCC2)CC1 ZINC000302052928 946098458 /nfs/dbraw/zinc/09/84/58/946098458.db2.gz PLJZWKYDMNDSPG-UHFFFAOYSA-N 1 3 353.510 3.654 20 0 FHADHO CC(C)Cc1ccc(CNCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cn1 ZINC000893486620 946406856 /nfs/dbraw/zinc/40/68/56/946406856.db2.gz GQWFEVGFVMSXTL-HSZRJFAPSA-N 1 3 367.537 3.527 20 0 FHADHO CC(C)Cc1ccc(CNCc2ccccc2C[N@H+]2CCC[C@@H]2CO)cn1 ZINC000893486620 946406863 /nfs/dbraw/zinc/40/68/63/946406863.db2.gz GQWFEVGFVMSXTL-HSZRJFAPSA-N 1 3 367.537 3.527 20 0 FHADHO CC(C)[NH2+]CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 ZINC000840887721 946514914 /nfs/dbraw/zinc/51/49/14/946514914.db2.gz NNWLESPPRDGJPB-UHFFFAOYSA-N 1 3 361.530 3.544 20 0 FHADHO CCN(C(C)=O)C1CCN(C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168056997 946536512 /nfs/dbraw/zinc/53/65/12/946536512.db2.gz LIOKNOZWFFILSC-OALUTQOASA-N 1 3 371.569 3.761 20 0 FHADHO N=C(N)N(c1ccc(F)cc1)c1ccc2[nH]cc(CC[NH+]3CCCC3)c2c1 ZINC001167990879 946691121 /nfs/dbraw/zinc/69/11/21/946691121.db2.gz ATWRNNLRMUDOKG-UHFFFAOYSA-N 1 3 365.456 3.977 20 0 FHADHO C[C@@H]1C[C@@H](N2CC[C@H](Oc3ccccn3)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168060277 946779816 /nfs/dbraw/zinc/77/98/16/946779816.db2.gz WGHITPSXNXLXIN-MXNKGDRCSA-N 1 3 365.521 3.976 20 0 FHADHO C[C@@H]1C[C@@H](N2CC[C@H](Oc3ccccn3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168060277 946779826 /nfs/dbraw/zinc/77/98/26/946779826.db2.gz WGHITPSXNXLXIN-MXNKGDRCSA-N 1 3 365.521 3.976 20 0 FHADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475288369 946826363 /nfs/dbraw/zinc/82/63/63/946826363.db2.gz SKTHXLPDFIGIPW-FGCOXFRFSA-N 1 3 363.549 3.619 20 0 FHADHO C[C@@H]([NH2+]CCCCCCC[NH+]1CCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000824585331 946834294 /nfs/dbraw/zinc/83/42/94/946834294.db2.gz PXJRKTNFKJSXEA-QGZVFWFLSA-N 1 3 356.518 3.564 20 0 FHADHO C[C@@H]([NH2+]CCCCCCC[NH+]1CCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824585331 946834307 /nfs/dbraw/zinc/83/43/07/946834307.db2.gz PXJRKTNFKJSXEA-QGZVFWFLSA-N 1 3 356.518 3.564 20 0 FHADHO CN(C)CC[NH+]1CCC(Nc2ccnc3cc(C(F)(F)F)ccc32)CC1 ZINC000123625477 946875016 /nfs/dbraw/zinc/87/50/16/946875016.db2.gz VOUIWNFOKMCFAT-UHFFFAOYSA-N 1 3 366.431 3.692 20 0 FHADHO C[NH+](C)CCN1CCC(Nc2ccnc3cc(C(F)(F)F)ccc32)CC1 ZINC000123625477 946875026 /nfs/dbraw/zinc/87/50/26/946875026.db2.gz VOUIWNFOKMCFAT-UHFFFAOYSA-N 1 3 366.431 3.692 20 0 FHADHO Cc1ccc(-c2noc(CCC[N@@H+](C)CC[C@@H]3CCCCN3C)n2)cc1F ZINC000475363591 946955463 /nfs/dbraw/zinc/95/54/63/946955463.db2.gz WNFDWPHCILRSIS-SFHVURJKSA-N 1 3 374.504 3.923 20 0 FHADHO Cc1ccc(-c2noc(CCC[N@H+](C)CC[C@@H]3CCCCN3C)n2)cc1F ZINC000475363591 946955472 /nfs/dbraw/zinc/95/54/72/946955472.db2.gz WNFDWPHCILRSIS-SFHVURJKSA-N 1 3 374.504 3.923 20 0 FHADHO CCN1CCN(CCC[NH2+]Cc2cnc(-c3ccc(C)c(C)c3)s2)CC1 ZINC000655711093 946980411 /nfs/dbraw/zinc/98/04/11/946980411.db2.gz DRTQBVCSSRXFFE-UHFFFAOYSA-N 1 3 372.582 3.544 20 0 FHADHO C[C@H]1CN(Cc2ccc(-c3ccsc3)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000444671932 947096340 /nfs/dbraw/zinc/09/63/40/947096340.db2.gz KJNPDCISTLFVAQ-PGRDOPGGSA-N 1 3 369.578 3.873 20 0 FHADHO COc1cc(C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)cc(Cl)c1OC ZINC000192924182 947105219 /nfs/dbraw/zinc/10/52/19/947105219.db2.gz IRYZBBYKLPKZOI-KRWDZBQOSA-N 1 3 374.912 3.969 20 0 FHADHO COC(=O)C[C@H]1CCCN([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168065424 947127881 /nfs/dbraw/zinc/12/78/81/947127881.db2.gz VROWRKWIJLJBQG-KOUHRCEDSA-N 1 3 358.526 3.703 20 0 FHADHO COC(=O)C[C@H]1CCCN([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168065424 947127888 /nfs/dbraw/zinc/12/78/88/947127888.db2.gz VROWRKWIJLJBQG-KOUHRCEDSA-N 1 3 358.526 3.703 20 0 FHADHO COC(=O)C[C@@H]1CCCN(C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168065422 947128336 /nfs/dbraw/zinc/12/83/36/947128336.db2.gz VROWRKWIJLJBQG-BJLQDIEVSA-N 1 3 358.526 3.703 20 0 FHADHO C[NH+](C)Cc1ccc(NC(=O)C(C[C@@H]2CCCO2)C(F)(F)F)c(F)c1 ZINC000652440580 947136985 /nfs/dbraw/zinc/13/69/85/947136985.db2.gz HHRACSZXHJTVMY-STQMWFEESA-N 1 3 362.367 3.573 20 0 FHADHO CCc1cccc(CC)c1NC(=O)[C@H](C)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662297274 947724158 /nfs/dbraw/zinc/72/41/58/947724158.db2.gz OXZVURNODCHIOC-UWJYYQICSA-N 1 3 371.569 3.850 20 0 FHADHO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCCN(C(C)C)C2)c2ccccc21 ZINC000549612265 948013203 /nfs/dbraw/zinc/01/32/03/948013203.db2.gz ULDPOHQBJCOVGA-IOMROCGXSA-N 1 3 358.526 3.878 20 0 FHADHO CC[C@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1ccc(OC(F)(F)F)cc1 ZINC000925778212 948076519 /nfs/dbraw/zinc/07/65/19/948076519.db2.gz SACAILLXKLIKKA-JSGCOSHPSA-N 1 3 352.347 3.871 20 0 FHADHO CC[NH+](CC)CCC[C@H](C)N1CCO[C@@]2(CCCN(c3ccccc3)C2)C1 ZINC001167821587 948080106 /nfs/dbraw/zinc/08/01/06/948080106.db2.gz DWCPVVOIBQMVEK-GMAHTHKFSA-N 1 3 373.585 3.868 20 0 FHADHO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CNCCC2(F)F)c2cccc(Br)c21 ZINC000925780782 948096600 /nfs/dbraw/zinc/09/66/00/948096600.db2.gz GPRLMSLVZVUILU-UHIISALHSA-N 1 3 359.258 3.832 20 0 FHADHO CC[NH+](CC)CCC[C@H](C)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC001167827822 948160073 /nfs/dbraw/zinc/16/00/73/948160073.db2.gz XUNQLQBCYZJPRV-SFHVURJKSA-N 1 3 351.966 3.968 20 0 FHADHO CCC[NH+]1CCC(CNCc2ccc(OC)cc2Br)CC1 ZINC000512022532 948211184 /nfs/dbraw/zinc/21/11/84/948211184.db2.gz GVPYQYWCTCLZRB-UHFFFAOYSA-N 1 3 355.320 3.669 20 0 FHADHO CCN(CC)[C@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)c1ccsc1 ZINC000520515766 948218652 /nfs/dbraw/zinc/21/86/52/948218652.db2.gz DSCIQZMNIWYOOH-RTBURBONSA-N 1 3 365.587 3.758 20 0 FHADHO C[C@@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000432405038 948348415 /nfs/dbraw/zinc/34/84/15/948348415.db2.gz GNGNXRCYINJQOV-LSDHHAIUSA-N 1 3 360.420 3.737 20 0 FHADHO C[C@@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000432405038 948348420 /nfs/dbraw/zinc/34/84/20/948348420.db2.gz GNGNXRCYINJQOV-LSDHHAIUSA-N 1 3 360.420 3.737 20 0 FHADHO COc1ccc2oc(CN3CCC(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)cc2c1 ZINC000512176061 948656854 /nfs/dbraw/zinc/65/68/54/948656854.db2.gz AYTJPCUBYKVPIB-CALCHBBNSA-N 1 3 372.509 3.763 20 0 FHADHO COc1ccc2oc(CN3CCC(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)cc2c1 ZINC000512176061 948656858 /nfs/dbraw/zinc/65/68/58/948656858.db2.gz AYTJPCUBYKVPIB-CALCHBBNSA-N 1 3 372.509 3.763 20 0 FHADHO COc1ccccc1/C=C/CN1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000512187386 948738289 /nfs/dbraw/zinc/73/82/89/948738289.db2.gz QEGILXJCQOMDEQ-ATMNSAGYSA-N 1 3 358.526 3.530 20 0 FHADHO COc1ccccc1/C=C/CN1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000512187386 948738291 /nfs/dbraw/zinc/73/82/91/948738291.db2.gz QEGILXJCQOMDEQ-ATMNSAGYSA-N 1 3 358.526 3.530 20 0 FHADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN([C@@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000187077381 948783721 /nfs/dbraw/zinc/78/37/21/948783721.db2.gz CRYVYRJQDLIVRG-CBJLPSGESA-N 1 3 369.597 3.987 20 0 FHADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN([C@@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000187077381 948783725 /nfs/dbraw/zinc/78/37/25/948783725.db2.gz CRYVYRJQDLIVRG-CBJLPSGESA-N 1 3 369.597 3.987 20 0 FHADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(OCC(F)(F)F)cc2)C[C@@H](C)O1 ZINC000067452680 948784687 /nfs/dbraw/zinc/78/46/87/948784687.db2.gz SYLRRIHIKBVAGS-HZPDHXFCSA-N 1 3 374.447 3.607 20 0 FHADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(Br)cc2F)C[C@H](C)O1 ZINC000067452852 948791806 /nfs/dbraw/zinc/79/18/06/948791806.db2.gz BRGGIQFONYKAGP-OKILXGFUSA-N 1 3 373.310 3.567 20 0 FHADHO CCOC(=O)[C@H]1CC[C@H](NCc2cccc3c2CC[NH2+]C3)c2ccccc21 ZINC000602019030 567901596 /nfs/dbraw/zinc/90/15/96/567901596.db2.gz DNPKYRFGSWBTBJ-VXKWHMMOSA-N 1 3 364.489 3.604 20 0 FHADHO CC(C)[NH+](CCNC(=O)N[C@H](CN1CCCCC1)c1ccccc1)C(C)C ZINC000604156970 568217903 /nfs/dbraw/zinc/21/79/03/568217903.db2.gz LSJBCVXMSDFPCL-OAQYLSRUSA-N 1 3 374.573 3.632 20 0 FHADHO C[N@H+](CCCNC(=O)c1cccc(CN2CCCC2)c1)Cc1ccccc1 ZINC000049973923 568638648 /nfs/dbraw/zinc/63/86/48/568638648.db2.gz ISCGBALOUOFBDX-UHFFFAOYSA-N 1 3 365.521 3.534 20 0 FHADHO C[N@@H+](CCCNC(=O)c1cccc(CN2CCCC2)c1)Cc1ccccc1 ZINC000049973923 568638651 /nfs/dbraw/zinc/63/86/51/568638651.db2.gz ISCGBALOUOFBDX-UHFFFAOYSA-N 1 3 365.521 3.534 20 0 FHADHO c1ccc(-c2noc([C@@]34CCC[C@@H]3C[N@@H+](CCCN3CCCC3)C4)n2)cc1 ZINC000328605413 571323833 /nfs/dbraw/zinc/32/38/33/571323833.db2.gz NINORWSUXFORKD-DENIHFKCSA-N 1 3 366.509 3.576 20 0 FHADHO c1ccc(-c2noc([C@@]34CCC[C@@H]3C[N@H+](CCCN3CCCC3)C4)n2)cc1 ZINC000328605413 571323834 /nfs/dbraw/zinc/32/38/34/571323834.db2.gz NINORWSUXFORKD-DENIHFKCSA-N 1 3 366.509 3.576 20 0 FHADHO C[C@H](c1ccc(-c2nnn[n-]2)cc1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000824761442 607750234 /nfs/dbraw/zinc/75/02/34/607750234.db2.gz AQSJQFBMTIYCFL-QGZVFWFLSA-N 1 3 368.529 3.516 20 0 FHADHO C[C@H](c1ccc(-c2nn[n-]n2)cc1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000824761442 607750235 /nfs/dbraw/zinc/75/02/35/607750235.db2.gz AQSJQFBMTIYCFL-QGZVFWFLSA-N 1 3 368.529 3.516 20 0 FHADHO CN1CC[C@]2(CC[N@H+](Cc3c[nH]nc3-c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000430147198 927317130 /nfs/dbraw/zinc/31/71/30/927317130.db2.gz KMWDUYGHVMDDQG-SFHVURJKSA-N 1 3 364.415 3.623 20 0 FHADHO CN1CC[C@]2(CC[N@@H+](Cc3c[nH]nc3-c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000430147198 927317143 /nfs/dbraw/zinc/31/71/43/927317143.db2.gz KMWDUYGHVMDDQG-SFHVURJKSA-N 1 3 364.415 3.623 20 0 FHADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1oc2ccccc2c1CN(C)C ZINC000118779356 927938994 /nfs/dbraw/zinc/93/89/94/927938994.db2.gz NSPQRDOMNXOOKN-IXDOHACOSA-N 1 3 371.525 3.591 20 0 FHADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1oc2ccccc2c1CN(C)C ZINC000118779356 927939000 /nfs/dbraw/zinc/93/90/00/927939000.db2.gz NSPQRDOMNXOOKN-IXDOHACOSA-N 1 3 371.525 3.591 20 0 FHADHO N[C@@H](CC1CCCCC1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000583184189 937218140 /nfs/dbraw/zinc/21/81/40/937218140.db2.gz IEKXSCWHVQHQAE-NRFANRHFSA-N 1 3 357.542 3.586 20 0 FHADHO CCN1CCN([C@H](C)C[NH2+][C@@H](c2ccccc2)c2ccc(C)cc2)CC1 ZINC000180119225 929380262 /nfs/dbraw/zinc/38/02/62/929380262.db2.gz UDJSIRIIMLTSRF-OFNKIYASSA-N 1 3 351.538 3.700 20 0 FHADHO CCN1CCN(C[C@H](C)C[NH2+][C@H](c2ccccc2)c2ccc(C)cc2)CC1 ZINC000180440873 929512258 /nfs/dbraw/zinc/51/22/58/929512258.db2.gz VLXYEMYVKVIYPM-ZJSXRUAMSA-N 1 3 365.565 3.948 20 0 FHADHO CCN1CCN(C[C@H](C)C[NH2+]C(c2ccccc2)c2ccccc2)CC1 ZINC000180440020 929512520 /nfs/dbraw/zinc/51/25/20/929512520.db2.gz FYDCEKHJQHNVJQ-HXUWFJFHSA-N 1 3 351.538 3.639 20 0 FHADHO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@H]1CCCN(C(C)C)C1)CC3 ZINC000123214482 929916850 /nfs/dbraw/zinc/91/68/50/929916850.db2.gz RDNSGEZKXRVZTF-IAGOWNOFSA-N 1 3 355.526 3.744 20 0 FHADHO C[C@@H](NCc1cccc(C[NH+](C)C)c1)c1cccc(N2CCCC2=O)c1 ZINC000123664383 930075421 /nfs/dbraw/zinc/07/54/21/930075421.db2.gz SAJVCTREZLJADU-QGZVFWFLSA-N 1 3 351.494 3.726 20 0 FHADHO CC[N@H+](C)C[C@H](O)CN1CC[C@@H](c2ccccc2)[C@@H]1c1cccc(OC)c1 ZINC000580325555 930505064 /nfs/dbraw/zinc/50/50/64/930505064.db2.gz QXWOGOGALNHBQA-PMVMPFDFSA-N 1 3 368.521 3.538 20 0 FHADHO CC[N@@H+](C)C[C@H](O)CN1CC[C@@H](c2ccccc2)[C@@H]1c1cccc(OC)c1 ZINC000580325555 930505068 /nfs/dbraw/zinc/50/50/68/930505068.db2.gz QXWOGOGALNHBQA-PMVMPFDFSA-N 1 3 368.521 3.538 20 0 FHADHO C[C@H](NCCOc1ccc2cc(Br)ccc2c1)[C@H]1CC[NH2+]C1 ZINC000564825594 930682985 /nfs/dbraw/zinc/68/29/85/930682985.db2.gz VNMYCOBIDBSTMS-BBRMVZONSA-N 1 3 363.299 3.569 20 0 FHADHO CC(C)[N@@H+]1CC[C@@H](CNCc2ccnc3c(Br)cccc23)C1 ZINC000580814346 931197980 /nfs/dbraw/zinc/19/79/80/931197980.db2.gz FKWLZFGZGSSCIE-AWEZNQCLSA-N 1 3 362.315 3.817 20 0 FHADHO CC(C)[N@H+]1CC[C@@H](CNCc2ccnc3c(Br)cccc23)C1 ZINC000580814346 931197984 /nfs/dbraw/zinc/19/79/84/931197984.db2.gz FKWLZFGZGSSCIE-AWEZNQCLSA-N 1 3 362.315 3.817 20 0 FHADHO Clc1cccc(-c2noc(CCN[C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)n2)c1 ZINC000580827826 931234921 /nfs/dbraw/zinc/23/49/21/931234921.db2.gz RNQKTBXTQLLWFL-FGTMMUONSA-N 1 3 374.916 3.833 20 0 FHADHO COCCNc1ccc(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000548155305 931709450 /nfs/dbraw/zinc/70/94/50/931709450.db2.gz RRYNRDDFCYMGHF-KNQAVFIVSA-N 1 3 367.537 3.745 20 0 FHADHO COCCNc1ccc(CN[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000548155305 931709454 /nfs/dbraw/zinc/70/94/54/931709454.db2.gz RRYNRDDFCYMGHF-KNQAVFIVSA-N 1 3 367.537 3.745 20 0 FHADHO COCCNc1ccc(CN[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000548155305 931709456 /nfs/dbraw/zinc/70/94/56/931709456.db2.gz RRYNRDDFCYMGHF-KNQAVFIVSA-N 1 3 367.537 3.745 20 0 FHADHO CC[NH2+]CC1CCN([C@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)CC1 ZINC000430578436 931936988 /nfs/dbraw/zinc/93/69/88/931936988.db2.gz PFYRLTRHCWPULL-ZWKOTPCHSA-N 1 3 367.537 3.727 20 0 FHADHO C[C@@](C[NH3+])(NCCC(=O)Nc1ccccc1Oc1ccccc1)C1CC1 ZINC000430588801 931969469 /nfs/dbraw/zinc/96/94/69/931969469.db2.gz GASYTGFSFRYONO-NRFANRHFSA-N 1 3 353.466 3.525 20 0 FHADHO C[C@H](N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(-n2cccn2)cc1 ZINC000581542508 932230930 /nfs/dbraw/zinc/23/09/30/932230930.db2.gz CWGRTDSHPWQICR-LXBDKUERSA-N 1 3 374.488 3.779 20 0 FHADHO CCOc1cccc(CN2CCC[C@@H](C3CC[NH2+]CC3)C2)c1OC(F)F ZINC000656785569 932420684 /nfs/dbraw/zinc/42/06/84/932420684.db2.gz MGIOKCTXJNNMAB-MRXNPFEDSA-N 1 3 368.468 3.898 20 0 FHADHO C[C@@H](C[NH2+]C1CCN(CCc2ccc(F)cc2)CC1)N1CCC[C@@H](C)C1 ZINC000155961891 932644221 /nfs/dbraw/zinc/64/42/21/932644221.db2.gz YCGLPOZPVDSECX-MOPGFXCFSA-N 1 3 361.549 3.543 20 0 FHADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(c1ccccc1)c1ccccc1 ZINC000657071107 933094799 /nfs/dbraw/zinc/09/47/99/933094799.db2.gz FKAMKKZPSOHQDW-IBGZPJMESA-N 1 3 368.525 3.806 20 0 FHADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(c1ccccc1)c1ccccc1 ZINC000657071107 933094805 /nfs/dbraw/zinc/09/48/05/933094805.db2.gz FKAMKKZPSOHQDW-IBGZPJMESA-N 1 3 368.525 3.806 20 0 FHADHO COc1cccc([C@H](C)[NH+]2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000430711497 933165554 /nfs/dbraw/zinc/16/55/54/933165554.db2.gz WYQOFQYHQIOUBM-FHWLQOOXSA-N 1 3 360.542 3.968 20 0 FHADHO CC(C)C[N@@H+]1CCC[C@@H](CNC[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000562994571 933697577 /nfs/dbraw/zinc/69/75/77/933697577.db2.gz CZKCVLOECHXGCO-PKOBYXMFSA-N 1 3 372.475 3.566 20 0 FHADHO CC(C)C[N@H+]1CCC[C@@H](CNC[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000562994571 933697600 /nfs/dbraw/zinc/69/76/00/933697600.db2.gz CZKCVLOECHXGCO-PKOBYXMFSA-N 1 3 372.475 3.566 20 0 FHADHO CN(c1ccccc1CN1CCC[C@H]1c1ccccn1)C1CC[NH+](C)CC1 ZINC000535780876 934370674 /nfs/dbraw/zinc/37/06/74/934370674.db2.gz YFLULBMVQWTFNE-QHCPKHFHSA-N 1 3 364.537 3.949 20 0 FHADHO C[C@@H](c1nc(-c2ccccc2OCC[NH+](C)C)no1)N1[C@H](C)CC[C@@H]1C ZINC000276998688 934432201 /nfs/dbraw/zinc/43/22/01/934432201.db2.gz YWNSJMJHDROFDM-XHSDSOJGSA-N 1 3 358.486 3.611 20 0 FHADHO CC[N@H+](Cc1ccc(C(=O)N(CC(C)C)C2CCN(C)CC2)cc1)C1CC1 ZINC000511024748 934942857 /nfs/dbraw/zinc/94/28/57/934942857.db2.gz GCRLTYLSJMXFGU-UHFFFAOYSA-N 1 3 371.569 3.863 20 0 FHADHO CC[N@@H+](Cc1ccc(C(=O)N(CC(C)C)C2CCN(C)CC2)cc1)C1CC1 ZINC000511024748 934942859 /nfs/dbraw/zinc/94/28/59/934942859.db2.gz GCRLTYLSJMXFGU-UHFFFAOYSA-N 1 3 371.569 3.863 20 0 FHADHO CC(C)[N@H+](C)Cc1ccccc1CNCc1ccc(O[C@H]2CCOC2)cc1 ZINC000657308430 935076121 /nfs/dbraw/zinc/07/61/21/935076121.db2.gz SEZWWVHXWAWAEL-QHCPKHFHSA-N 1 3 368.521 3.984 20 0 FHADHO CC(C)[N@@H+](C)Cc1ccccc1CNCc1ccc(O[C@H]2CCOC2)cc1 ZINC000657308430 935076127 /nfs/dbraw/zinc/07/61/27/935076127.db2.gz SEZWWVHXWAWAEL-QHCPKHFHSA-N 1 3 368.521 3.984 20 0 FHADHO CC[C@H](C)C(=O)Nc1cccc(C[NH2+]Cc2ccnn2-c2ccncc2)c1 ZINC000657323013 935205808 /nfs/dbraw/zinc/20/58/08/935205808.db2.gz NOBYQJVDFGYCKX-INIZCTEOSA-N 1 3 363.465 3.542 20 0 FHADHO CC[C@H](C)C(=O)Nc1cccc(CNCc2ccnn2-c2cc[nH+]cc2)c1 ZINC000657323013 935205811 /nfs/dbraw/zinc/20/58/11/935205811.db2.gz NOBYQJVDFGYCKX-INIZCTEOSA-N 1 3 363.465 3.542 20 0 FHADHO c1cc(C[NH2+]Cc2ccc(OC3CCCCC3)nc2)n(-c2ccncc2)n1 ZINC000657339461 935278455 /nfs/dbraw/zinc/27/84/55/935278455.db2.gz UFDLDNFKGJKKPT-UHFFFAOYSA-N 1 3 363.465 3.664 20 0 FHADHO c1cc(CNCc2ccc(OC3CCCCC3)nc2)n(-c2cc[nH+]cc2)n1 ZINC000657339461 935278457 /nfs/dbraw/zinc/27/84/57/935278457.db2.gz UFDLDNFKGJKKPT-UHFFFAOYSA-N 1 3 363.465 3.664 20 0 FHADHO CC[N@H+](C)Cc1cccc(CNCc2ccc(O[C@H]3CCOC3)cc2)c1 ZINC000657348384 935313430 /nfs/dbraw/zinc/31/34/30/935313430.db2.gz UGNIHBYSDBKPJJ-QFIPXVFZSA-N 1 3 354.494 3.596 20 0 FHADHO CC[N@@H+](C)Cc1cccc(CNCc2ccc(O[C@H]3CCOC3)cc2)c1 ZINC000657348384 935313435 /nfs/dbraw/zinc/31/34/35/935313435.db2.gz UGNIHBYSDBKPJJ-QFIPXVFZSA-N 1 3 354.494 3.596 20 0 FHADHO C[C@@H](N[C@@H](C)c1cccc(-n2ccnn2)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000582140535 935325096 /nfs/dbraw/zinc/32/50/96/935325096.db2.gz UWKPPBARSXMUJZ-YQVWRLOYSA-N 1 3 353.514 3.571 20 0 FHADHO C[C@@H](N[C@@H](C)c1cccc(-n2ccnn2)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000582140535 935325103 /nfs/dbraw/zinc/32/51/03/935325103.db2.gz UWKPPBARSXMUJZ-YQVWRLOYSA-N 1 3 353.514 3.571 20 0 FHADHO C[C@@H]([NH2+][C@@H](C)c1cccc(-n2ccnn2)c1)[C@@H]1CCCN(C2CCC2)C1 ZINC000582140535 935325107 /nfs/dbraw/zinc/32/51/07/935325107.db2.gz UWKPPBARSXMUJZ-YQVWRLOYSA-N 1 3 353.514 3.571 20 0 FHADHO Cc1ncsc1-c1ccc(C[NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000657401769 935573007 /nfs/dbraw/zinc/57/30/07/935573007.db2.gz XNLGWUGDGJZMOP-VQTJNVASSA-N 1 3 371.550 3.586 20 0 FHADHO Cc1cccc2[nH]c(CNCc3ccccc3C[N@@H+]3CCC[C@@H]3CO)cc21 ZINC000657428747 935703407 /nfs/dbraw/zinc/70/34/07/935703407.db2.gz AWPZQXGMGWXSKG-OAQYLSRUSA-N 1 3 363.505 3.723 20 0 FHADHO Cc1cccc2[nH]c(CNCc3ccccc3C[N@H+]3CCC[C@@H]3CO)cc21 ZINC000657428747 935703409 /nfs/dbraw/zinc/70/34/09/935703409.db2.gz AWPZQXGMGWXSKG-OAQYLSRUSA-N 1 3 363.505 3.723 20 0 FHADHO c1ccc2c(c1)CCSC[C@@H]2NC1CC[NH+](CCc2ccncc2)CC1 ZINC000152880003 935876200 /nfs/dbraw/zinc/87/62/00/935876200.db2.gz YSCFCROZXGDOBO-QFIPXVFZSA-N 1 3 367.562 3.709 20 0 FHADHO C[C@@H](N[C@@H]1CCCc2cccnc21)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000684955162 935897984 /nfs/dbraw/zinc/89/79/84/935897984.db2.gz IMHCRVXLKCBJDQ-OXQOHEQNSA-N 1 3 368.500 3.701 20 0 FHADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C[C@@H](N)c2ccccc2)cc1 ZINC000237348389 935954854 /nfs/dbraw/zinc/95/48/54/935954854.db2.gz XJVDDKXTRQVJHA-XMSQKQJNSA-N 1 3 365.521 3.767 20 0 FHADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C[C@@H](N)c2ccccc2)cc1 ZINC000237348389 935954856 /nfs/dbraw/zinc/95/48/56/935954856.db2.gz XJVDDKXTRQVJHA-XMSQKQJNSA-N 1 3 365.521 3.767 20 0 FHADHO c1sc(CNCC2CC[NH+](C3CCOCC3)CC2)nc1-c1ccccc1 ZINC000657535102 935972394 /nfs/dbraw/zinc/97/23/94/935972394.db2.gz DIBHOZWAFYRRLQ-UHFFFAOYSA-N 1 3 371.550 3.791 20 0 FHADHO CC(C)CCn1cccc1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657611982 936092238 /nfs/dbraw/zinc/09/22/38/936092238.db2.gz HGQLAUSGRGWDSW-UHFFFAOYSA-N 1 3 354.542 3.931 20 0 FHADHO Brc1ccc(CC2(CN[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000657660773 936182322 /nfs/dbraw/zinc/18/23/22/936182322.db2.gz RBWHIUAZIGRKJY-QZTJIDSGSA-N 1 3 363.343 3.988 20 0 FHADHO Brc1ccc(CC2(CN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000657660773 936182325 /nfs/dbraw/zinc/18/23/25/936182325.db2.gz RBWHIUAZIGRKJY-QZTJIDSGSA-N 1 3 363.343 3.988 20 0 FHADHO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C[C@@H](N)c3ccccc3)cc2)C1 ZINC000237675783 936198902 /nfs/dbraw/zinc/19/89/02/936198902.db2.gz XGEUHBSTGXTENT-LAUBAEHRSA-N 1 3 351.494 3.947 20 0 FHADHO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C[C@@H](N)c3ccccc3)cc2)C1 ZINC000237675783 936198905 /nfs/dbraw/zinc/19/89/05/936198905.db2.gz XGEUHBSTGXTENT-LAUBAEHRSA-N 1 3 351.494 3.947 20 0 FHADHO C[C@@H](CN[C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F)C[NH+]1CCCC1 ZINC000120935157 936272806 /nfs/dbraw/zinc/27/28/06/936272806.db2.gz PCTBTDFVLMCGHK-GJZGRUSLSA-N 1 3 371.447 3.744 20 0 FHADHO C[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F)CN1CCCC1 ZINC000120935157 936272809 /nfs/dbraw/zinc/27/28/09/936272809.db2.gz PCTBTDFVLMCGHK-GJZGRUSLSA-N 1 3 371.447 3.744 20 0 FHADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2ccccc2Oc2cccnc2)C1 ZINC000472291116 938293919 /nfs/dbraw/zinc/29/39/19/938293919.db2.gz JCVPWJFOVVPNEB-NRFANRHFSA-N 1 3 369.509 3.807 20 0 FHADHO CC(C)C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccncc1 ZINC000647299426 938307928 /nfs/dbraw/zinc/30/79/28/938307928.db2.gz GJIZDGCCBSMKTC-PKTZIBPZSA-N 1 3 367.537 3.915 20 0 FHADHO CC(C)C[C@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccncc1 ZINC000647299426 938307930 /nfs/dbraw/zinc/30/79/30/938307930.db2.gz GJIZDGCCBSMKTC-PKTZIBPZSA-N 1 3 367.537 3.915 20 0 FHADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2Cc2c(Cl)ccc3cccnc32)C1 ZINC000650722887 938310140 /nfs/dbraw/zinc/31/01/40/938310140.db2.gz DBAUOHCGGWOVBH-LZQZEXGQSA-N 1 3 359.901 3.749 20 0 FHADHO Cc1ccc(-c2ncc(CN3CCCC[C@@H]3[C@@H]3C[C@@H]([NH3+])CCO3)s2)cc1 ZINC000650723509 938310824 /nfs/dbraw/zinc/31/08/24/938310824.db2.gz PKYMAFWAPGPWPN-SXLOBPIMSA-N 1 3 371.550 3.979 20 0 FHADHO CC[NH+](CC)CC1CCN(Cc2cc(=O)oc3cc4c(cc23)CCC4)CC1 ZINC000728570453 938316812 /nfs/dbraw/zinc/31/68/12/938316812.db2.gz LKPCIGLLPGNEJB-UHFFFAOYSA-N 1 3 368.521 3.836 20 0 FHADHO CC(C)[N@H+](C)CC1CCN(Cc2cc(=O)oc3cc4c(cc23)CCC4)CC1 ZINC000728572254 938327110 /nfs/dbraw/zinc/32/71/10/938327110.db2.gz VUAFBNQSJXQVNA-UHFFFAOYSA-N 1 3 368.521 3.834 20 0 FHADHO CC(C)[N@@H+](C)CC1CCN(Cc2cc(=O)oc3cc4c(cc23)CCC4)CC1 ZINC000728572254 938327113 /nfs/dbraw/zinc/32/71/13/938327113.db2.gz VUAFBNQSJXQVNA-UHFFFAOYSA-N 1 3 368.521 3.834 20 0 FHADHO CC[C@@H](CC(F)F)CN1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000660538312 945179813 /nfs/dbraw/zinc/17/98/13/945179813.db2.gz ONQHWDZIOAATIQ-ICSRJNTNSA-N 1 3 365.512 3.560 20 0 FHADHO CC[C@@H](CC(F)F)CN1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000660538312 945179820 /nfs/dbraw/zinc/17/98/20/945179820.db2.gz ONQHWDZIOAATIQ-ICSRJNTNSA-N 1 3 365.512 3.560 20 0 FHADHO C[C@@H](NCCC[NH+]1CCC(O)CC1)c1ccc(OCc2ccccc2)cc1 ZINC000151353152 938532829 /nfs/dbraw/zinc/53/28/29/938532829.db2.gz GOMGNTMRZJBLGY-LJQANCHMSA-N 1 3 368.521 3.763 20 0 FHADHO CC(C)(O)c1ccc(CNC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000382313940 938997647 /nfs/dbraw/zinc/99/76/47/938997647.db2.gz OVQCLONSZORNOR-NRFANRHFSA-N 1 3 352.522 3.916 20 0 FHADHO CC(C)(O)c1ccc(CNC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000382313940 938997648 /nfs/dbraw/zinc/99/76/48/938997648.db2.gz OVQCLONSZORNOR-NRFANRHFSA-N 1 3 352.522 3.916 20 0 FHADHO CO[C@@H]1CCC[C@H]([C@H](CO)NC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC000658116635 939025365 /nfs/dbraw/zinc/02/53/65/939025365.db2.gz WOVSAUXQRWXOLW-SXLOBPIMSA-N 1 3 368.606 3.821 20 0 FHADHO O[C@@H]1CC[N@H+](Cc2ccc(CN[C@H]3CCSc4ccc(F)cc43)cc2)C1 ZINC000658137834 939040649 /nfs/dbraw/zinc/04/06/49/939040649.db2.gz IMUZXFQVSQXJDK-QUCCMNQESA-N 1 3 372.509 3.719 20 0 FHADHO O[C@@H]1CC[N@@H+](Cc2ccc(CN[C@H]3CCSc4ccc(F)cc43)cc2)C1 ZINC000658137834 939040654 /nfs/dbraw/zinc/04/06/54/939040654.db2.gz IMUZXFQVSQXJDK-QUCCMNQESA-N 1 3 372.509 3.719 20 0 FHADHO O[C@@H]1CC[N@H+](Cc2ccc(CN[C@H]3CCc4ccc(Cl)cc43)cc2)C1 ZINC000658138844 939041322 /nfs/dbraw/zinc/04/13/22/939041322.db2.gz OOICFGUOBJSCFK-CTNGQTDRSA-N 1 3 356.897 3.684 20 0 FHADHO O[C@@H]1CC[N@@H+](Cc2ccc(CN[C@H]3CCc4ccc(Cl)cc43)cc2)C1 ZINC000658138844 939041326 /nfs/dbraw/zinc/04/13/26/939041326.db2.gz OOICFGUOBJSCFK-CTNGQTDRSA-N 1 3 356.897 3.684 20 0 FHADHO Cc1ccc2c(c1)OCCC[C@@H]2NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658138360 939042379 /nfs/dbraw/zinc/04/23/79/939042379.db2.gz JIBHULKIQFDNBH-IRLDBZIGSA-N 1 3 366.505 3.565 20 0 FHADHO Cc1ccc2c(c1)OCCC[C@@H]2NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658138360 939042383 /nfs/dbraw/zinc/04/23/83/939042383.db2.gz JIBHULKIQFDNBH-IRLDBZIGSA-N 1 3 366.505 3.565 20 0 FHADHO c1ccc2c(c1)NCCC[C@H]2[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658163741 939052379 /nfs/dbraw/zinc/05/23/79/939052379.db2.gz AKPWVBMKNZVPRE-JOCHJYFZSA-N 1 3 350.510 3.830 20 0 FHADHO Oc1ccc2c(c1)[C@H]([NH2+]CC1CCN(Cc3ccncc3)CC1)CCC2 ZINC000658165298 939053210 /nfs/dbraw/zinc/05/32/10/939053210.db2.gz IIDMPARBQZRTRF-JOCHJYFZSA-N 1 3 351.494 3.666 20 0 FHADHO Oc1cccc2c1CCC[C@@H]2[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658168072 939054392 /nfs/dbraw/zinc/05/43/92/939054392.db2.gz VJGYCSYXZJVRNP-NRFANRHFSA-N 1 3 351.494 3.666 20 0 FHADHO COc1ccc([C@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1F ZINC000658167314 939055139 /nfs/dbraw/zinc/05/51/39/939055139.db2.gz RMXGUAVWYMOUOZ-INIZCTEOSA-N 1 3 357.473 3.792 20 0 FHADHO COc1cc2c(cc1F)CC[C@H]2[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658168814 939055365 /nfs/dbraw/zinc/05/53/65/939055365.db2.gz ZHRCASFBGJEWOT-OAQYLSRUSA-N 1 3 369.484 3.718 20 0 FHADHO COc1ccc([C@@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1OC ZINC000658167278 939055464 /nfs/dbraw/zinc/05/54/64/939055464.db2.gz RJSHLEDREDEVFR-QGZVFWFLSA-N 1 3 369.509 3.662 20 0 FHADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@@H]3CCC[C@@H]3Cc3cnn(C)c3)CC2)C1 ZINC000658237700 939078881 /nfs/dbraw/zinc/07/88/81/939078881.db2.gz YXSOHXRLQMDMMK-CMCXCUNFSA-N 1 3 358.574 3.764 20 0 FHADHO Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000658319440 939111187 /nfs/dbraw/zinc/11/11/87/939111187.db2.gz AWBXWBOIGIYVEY-CTNGQTDRSA-N 1 3 364.537 3.689 20 0 FHADHO C[C@H](O)[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1ccccc1 ZINC000658364226 939126846 /nfs/dbraw/zinc/12/68/46/939126846.db2.gz YLNSXSJZTXCOHL-GBCNUAAFSA-N 1 3 350.506 3.894 20 0 FHADHO COc1cccc2c1CCC[C@@H]2NCc1ccccc1OCC[NH+](C)C ZINC000194873962 945231621 /nfs/dbraw/zinc/23/16/21/945231621.db2.gz XHDZBIIFBPJKBB-FQEVSTJZSA-N 1 3 354.494 3.803 20 0 FHADHO CC[N@H+](CCC1CCN(Cc2cnc3n[nH]c(C)c3c2)CC1)CC(C)C ZINC000518258464 945261926 /nfs/dbraw/zinc/26/19/26/945261926.db2.gz IWBYZQRHKYAFEU-UHFFFAOYSA-N 1 3 357.546 3.846 20 0 FHADHO CC[N@@H+](CCC1CCN(Cc2cnc3n[nH]c(C)c3c2)CC1)CC(C)C ZINC000518258464 945261931 /nfs/dbraw/zinc/26/19/31/945261931.db2.gz IWBYZQRHKYAFEU-UHFFFAOYSA-N 1 3 357.546 3.846 20 0 FHADHO COc1cc2c(c(CNCCCC[NH+]3C[C@H](C)C[C@@H](C)C3)c1)O[C@@H](C)C2 ZINC000518266172 945268747 /nfs/dbraw/zinc/26/87/47/945268747.db2.gz OLIORRCDEPWJCP-KURKYZTESA-N 1 3 360.542 3.866 20 0 FHADHO CC(C)(C)OC(=O)CCC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000507487529 945274771 /nfs/dbraw/zinc/27/47/71/945274771.db2.gz RIRRBEAABZPHKY-HSALFYBXSA-N 1 3 358.526 3.609 20 0 FHADHO CCN1CCN(CCC[NH2+][C@H]2CCC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000414058830 940467627 /nfs/dbraw/zinc/46/76/27/940467627.db2.gz HWXLDDURBBSGDK-FPOVZHCZSA-N 1 3 363.977 3.983 20 0 FHADHO Cc1ccc([C@@H](CNC(=O)CC[C@@H]2CCCC[N@H+]2C)N2CCCC2)cc1 ZINC000431776924 940493422 /nfs/dbraw/zinc/49/34/22/940493422.db2.gz UZTRKBQNNDZHHB-LEWJYISDSA-N 1 3 357.542 3.513 20 0 FHADHO Cc1ccc([C@@H](CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)N2CCCC2)cc1 ZINC000431776924 940493423 /nfs/dbraw/zinc/49/34/23/940493423.db2.gz UZTRKBQNNDZHHB-LEWJYISDSA-N 1 3 357.542 3.513 20 0 FHADHO OC1(C[NH2+][C@H]2CCCc3cc(F)ccc32)CCN(Cc2ccccc2)CC1 ZINC000414306452 940929625 /nfs/dbraw/zinc/92/96/25/940929625.db2.gz OFDOLVHLHSKKCN-QFIPXVFZSA-N 1 3 368.496 3.820 20 0 FHADHO NC[C@H]1CCCC[C@H]1[NH2+]CCc1c[nH]c2ccc(Br)cc12 ZINC000423029875 940949543 /nfs/dbraw/zinc/94/95/43/940949543.db2.gz IWKAOOVWHUWCJQ-MLGOLLRUSA-N 1 3 350.304 3.580 20 0 FHADHO O=C(C[C@@H]1NCc2ccccc21)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000659283762 941146527 /nfs/dbraw/zinc/14/65/27/941146527.db2.gz BYZBMBIZAWNKCZ-QFIPXVFZSA-N 1 3 363.505 3.888 20 0 FHADHO [NH3+][C@H]1CCO[C@@H](C2CCN(Cc3c(Cl)ccc4cccnc43)CC2)C1 ZINC000415127784 941622550 /nfs/dbraw/zinc/62/25/50/941622550.db2.gz RGMUOVYZUKFZCD-QFBILLFUSA-N 1 3 359.901 3.607 20 0 FHADHO COCCOCc1ccc(CNC[C@@H]2CC[N@H+](C)[C@H]2c2cccs2)cc1 ZINC000377404233 941697995 /nfs/dbraw/zinc/69/79/95/941697995.db2.gz PMBPOKWZSZNWHW-PZJWPPBQSA-N 1 3 374.550 3.694 20 0 FHADHO COCCOCc1ccc(CNC[C@@H]2CC[N@@H+](C)[C@H]2c2cccs2)cc1 ZINC000377404233 941697996 /nfs/dbraw/zinc/69/79/96/941697996.db2.gz PMBPOKWZSZNWHW-PZJWPPBQSA-N 1 3 374.550 3.694 20 0 FHADHO CC[NH+](CC)Cc1ccc(C(=O)N(CCN(C)C)Cc2ccc(C)o2)cc1 ZINC000513169131 941750432 /nfs/dbraw/zinc/75/04/32/941750432.db2.gz ALPJDWKYKIPYMI-UHFFFAOYSA-N 1 3 371.525 3.634 20 0 FHADHO CC[C@@H](CN[C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F)[NH+]1CCCC1 ZINC000119286055 941876374 /nfs/dbraw/zinc/87/63/74/941876374.db2.gz FXENBHDYOHXGLV-GJZGRUSLSA-N 1 3 371.447 3.887 20 0 FHADHO CCc1ccc([C@H]2CCC[N@H+](CCCN3CCN(C(C)C)CC3)C2)cc1 ZINC000513392885 941888374 /nfs/dbraw/zinc/88/83/74/941888374.db2.gz ZFSODDRAQKLJME-QHCPKHFHSA-N 1 3 357.586 3.845 20 0 FHADHO CCc1ccc([C@H]2CCC[N@@H+](CCCN3CCN(C(C)C)CC3)C2)cc1 ZINC000513392885 941888380 /nfs/dbraw/zinc/88/83/80/941888380.db2.gz ZFSODDRAQKLJME-QHCPKHFHSA-N 1 3 357.586 3.845 20 0 FHADHO Fc1ccc(Br)c(CNC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000314468436 941987804 /nfs/dbraw/zinc/98/78/04/941987804.db2.gz GVUBOHUBQYWKCO-UHFFFAOYSA-N 1 3 364.262 3.742 20 0 FHADHO C[NH2+]Cc1cccc(NC(=O)NC[C@@H](c2ccc(SC)cc2)N(C)C)c1 ZINC000415930999 942157165 /nfs/dbraw/zinc/15/71/65/942157165.db2.gz KZMPXDPGZRIART-IBGZPJMESA-N 1 3 372.538 3.552 20 0 FHADHO CC[NH2+]Cc1cccc(NC(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)c1 ZINC000415928526 942164786 /nfs/dbraw/zinc/16/47/86/942164786.db2.gz FRKSOQTXDIVIDP-IBGZPJMESA-N 1 3 374.916 3.874 20 0 FHADHO C[NH2+]Cc1cccc(NC(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000415945614 942179662 /nfs/dbraw/zinc/17/96/62/942179662.db2.gz RSDHZUCSIHYLCI-OAQYLSRUSA-N 1 3 366.509 3.534 20 0 FHADHO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000502048404 942198334 /nfs/dbraw/zinc/19/83/34/942198334.db2.gz XQYZORRJPXBYRO-TZIWHRDSSA-N 1 3 357.542 3.571 20 0 FHADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000265074577 942223616 /nfs/dbraw/zinc/22/36/16/942223616.db2.gz XVYXQDSKBTWAMR-UHFFFAOYSA-N 1 3 369.509 3.585 20 0 FHADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@]2(C)Cc2ccc(F)cc2)CC1 ZINC000420933626 942261729 /nfs/dbraw/zinc/26/17/29/942261729.db2.gz WKJWEYSUAYDHEG-JOCHJYFZSA-N 1 3 361.549 3.639 20 0 FHADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@]2(C)Cc2ccc(F)cc2)CC1 ZINC000420933626 942261733 /nfs/dbraw/zinc/26/17/33/942261733.db2.gz WKJWEYSUAYDHEG-JOCHJYFZSA-N 1 3 361.549 3.639 20 0 FHADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H](c3ccc(F)cc3)CC2)CC1 ZINC000501051742 942276997 /nfs/dbraw/zinc/27/69/97/942276997.db2.gz FSOWDSOWWPALEJ-HXUWFJFHSA-N 1 3 361.549 3.811 20 0 FHADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H](c3ccc(F)cc3)CC2)CC1 ZINC000501051742 942276999 /nfs/dbraw/zinc/27/69/99/942276999.db2.gz FSOWDSOWWPALEJ-HXUWFJFHSA-N 1 3 361.549 3.811 20 0 FHADHO CC(C)N1CCN(CCC[NH2+]C(C)(C)c2cccc(C(F)(F)F)c2)CC1 ZINC000501114351 942316676 /nfs/dbraw/zinc/31/66/76/942316676.db2.gz VYIUUUSWXNIXRL-UHFFFAOYSA-N 1 3 371.491 3.946 20 0 FHADHO C[NH+](C)C1CCC(NCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CC1 ZINC000421368627 942519343 /nfs/dbraw/zinc/51/93/43/942519343.db2.gz GPTMSFDLFVOAJN-UHFFFAOYSA-N 1 3 368.312 3.537 20 0 FHADHO COc1ccc([C@@H](C[NH3+])CN2CCC(c3ccc(OC)cc3)CC2)cc1 ZINC000420298466 942610210 /nfs/dbraw/zinc/61/02/10/942610210.db2.gz HEAHAMCDUYPNIY-FQEVSTJZSA-N 1 3 354.494 3.626 20 0 FHADHO NC[C@@H]([NH2+]CC(=O)Nc1ccccc1Oc1ccccc1)C1CCCCC1 ZINC000420365378 942640771 /nfs/dbraw/zinc/64/07/71/942640771.db2.gz SAEBTMCAHWUKQO-HXUWFJFHSA-N 1 3 367.493 3.915 20 0 FHADHO O=C(CCN1CCCC[C@H]1[C@H]1CC[NH2+]C1)Nc1c(Cl)cccc1Cl ZINC000420377972 942646435 /nfs/dbraw/zinc/64/64/35/942646435.db2.gz AUYQRAZDUVQXGK-BBRMVZONSA-N 1 3 370.324 3.786 20 0 FHADHO Cc1ccc(CN(C(=O)CN2CCC(CCC[NH+](C)C)CC2)C2CC2)cc1 ZINC000501768575 942658652 /nfs/dbraw/zinc/65/86/52/942658652.db2.gz CCJZMWOXCQHDND-UHFFFAOYSA-N 1 3 371.569 3.540 20 0 FHADHO CCN(CC)C(=O)[C@H](c1ccccc1)N1CCC(CCC[NH+](C)C)CC1 ZINC000501794956 942681672 /nfs/dbraw/zinc/68/16/72/942681672.db2.gz MKFCINCHCQHLOL-NRFANRHFSA-N 1 3 359.558 3.650 20 0 FHADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CC1(N)CCCCC1 ZINC000414848821 942817896 /nfs/dbraw/zinc/81/78/96/942817896.db2.gz WOICHLMPEIAAJM-CYBMUJFWSA-N 1 3 373.419 3.554 20 0 FHADHO Cc1ccc2c(CN[C@@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)ccc(O)c2n1 ZINC000514248353 942849355 /nfs/dbraw/zinc/84/93/55/942849355.db2.gz ORKPNTZSHUCPOE-WMZOPIPTSA-N 1 3 353.510 3.991 20 0 FHADHO Cc1ccc2c(CN[C@@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)ccc(O)c2n1 ZINC000514248353 942849361 /nfs/dbraw/zinc/84/93/61/942849361.db2.gz ORKPNTZSHUCPOE-WMZOPIPTSA-N 1 3 353.510 3.991 20 0 FHADHO Cn1ncc2c1CCC[C@H]2[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000272281186 943128459 /nfs/dbraw/zinc/12/84/59/943128459.db2.gz ADKXGSGLOZPSCO-WERVVEIQSA-N 1 3 350.510 3.583 20 0 FHADHO CC(=O)Nc1cccc(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000272381943 943146812 /nfs/dbraw/zinc/14/68/12/943146812.db2.gz BZCQXFGIUIVYBF-UTKZUKDTSA-N 1 3 351.494 3.645 20 0 FHADHO Cc1ccc2nccc(N3CCN(C4CC[NH+](C(C)C)CC4)CC3)c2c1 ZINC000545473294 943225593 /nfs/dbraw/zinc/22/55/93/943225593.db2.gz FVMCRIRDIDJFIJ-UHFFFAOYSA-N 1 3 352.526 3.538 20 0 FHADHO CCS[C@@H]1CCC[C@@H]1NCC1(C[NH2+][C@@H]2CCC[C@@H]2SCC)COC1 ZINC000503517787 943229331 /nfs/dbraw/zinc/22/93/31/943229331.db2.gz SDDNCUIMJUIXGG-FZDBZEDMSA-N 1 3 372.644 3.531 20 0 FHADHO CCS[C@@H]1CCC[C@@H]1[NH2+]CC1(CN[C@@H]2CCC[C@@H]2SCC)COC1 ZINC000503517787 943229338 /nfs/dbraw/zinc/22/93/38/943229338.db2.gz SDDNCUIMJUIXGG-FZDBZEDMSA-N 1 3 372.644 3.531 20 0 FHADHO C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(NC(=O)C2CCCC2)c1 ZINC000422706305 943241296 /nfs/dbraw/zinc/24/12/96/943241296.db2.gz DVCNVFGHVMSHEO-VGOFRKELSA-N 1 3 365.521 3.863 20 0 FHADHO COc1ccc([C@H](CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)N2CCCC2)cc1 ZINC000422757808 943262215 /nfs/dbraw/zinc/26/22/15/943262215.db2.gz MZBYGCNZSDKACO-GPJHCHHRSA-N 1 3 371.569 3.733 20 0 FHADHO CC(C)(CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)c1ccc(F)cc1Cl ZINC000422737739 943264886 /nfs/dbraw/zinc/26/48/86/943264886.db2.gz XVTKLQBWCOYSIQ-BMGDILEWSA-N 1 3 354.897 3.503 20 0 FHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H](C)COc1ccccc1C(F)(F)F ZINC000422769604 943277091 /nfs/dbraw/zinc/27/70/91/943277091.db2.gz VRQRTRKSRHRLAE-QWHCGFSZSA-N 1 3 367.415 3.986 20 0 FHADHO c1ccc2c(c1)cccc2CSCCN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422765030 943284811 /nfs/dbraw/zinc/28/48/11/943284811.db2.gz PYLKVNXOBHBVGN-BHDDXSALSA-N 1 3 370.562 3.820 20 0 FHADHO Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@@H](C)c2ccc(CN)nc2C)cc1 ZINC000422813374 943293104 /nfs/dbraw/zinc/29/31/04/943293104.db2.gz YAOXJGGZULUTEW-NBCNXNJRSA-N 1 3 353.510 3.976 20 0 FHADHO N[C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC000422887558 943319070 /nfs/dbraw/zinc/31/90/70/943319070.db2.gz BGGJFWMLBSNJGX-PMACEKPBSA-N 1 3 355.457 3.828 20 0 FHADHO CC(C)N1CCN(C2CC[NH+](CC[C@@H]3CCc4ccccc43)CC2)CC1 ZINC000660150660 943335437 /nfs/dbraw/zinc/33/54/37/943335437.db2.gz KPTYVYGCGKJXES-NRFANRHFSA-N 1 3 355.570 3.597 20 0 FHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCOc1ccc(C(F)(F)F)cc1 ZINC000422940106 943339048 /nfs/dbraw/zinc/33/90/48/943339048.db2.gz IQUJYENRYXONCA-LBPRGKRZSA-N 1 3 353.388 3.597 20 0 FHADHO C[C@@H]1CN[C@@H](C)CN1C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000414707448 943343415 /nfs/dbraw/zinc/34/34/15/943343415.db2.gz HYWGIIMEPVEKLH-DLBZAZTESA-N 1 3 358.530 3.665 20 0 FHADHO C[C@@H]1CN[C@@H](C)CN1C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000414707448 943343419 /nfs/dbraw/zinc/34/34/19/943343419.db2.gz HYWGIIMEPVEKLH-DLBZAZTESA-N 1 3 358.530 3.665 20 0 FHADHO C[C@H](C[C@H]1COCC[NH2+]1)N[C@H](C)c1ccccc1OCc1ccccc1 ZINC000423019550 943366291 /nfs/dbraw/zinc/36/62/91/943366291.db2.gz WDZAPDOIBVDDLP-GGPKGHCWSA-N 1 3 354.494 3.683 20 0 FHADHO CCCOC[C@H](Cc1cccc(Br)c1)N[C@H](C)C[C@H](C)[NH3+] ZINC000423047870 943368141 /nfs/dbraw/zinc/36/81/41/943368141.db2.gz HJHGWFUYHVRLNA-VBQJREDUSA-N 1 3 357.336 3.502 20 0 FHADHO C[C@@H]([NH3+])C[C@H](C)NCCOc1c(Cl)cc(Br)cc1Cl ZINC000423023662 943369521 /nfs/dbraw/zinc/36/95/21/943369521.db2.gz HZKVXWAFWPYLAS-BDAKNGLRSA-N 1 3 370.118 3.850 20 0 FHADHO CCN(Cc1ccc(Br)c2cccnc12)[C@@H]1CCC[NH2+]CC1 ZINC000435387033 943374681 /nfs/dbraw/zinc/37/46/81/943374681.db2.gz WKCVDVFUVKIFFX-OAHLLOKOSA-N 1 3 362.315 3.961 20 0 FHADHO Fc1ccc(C2(CN[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)CCCC2)c(F)c1 ZINC000423062580 943379259 /nfs/dbraw/zinc/37/92/59/943379259.db2.gz NFGYHJVFLSMUAJ-NSISKUIASA-N 1 3 364.480 3.523 20 0 FHADHO C[C@H](C[C@H](C)[NH3+])N[C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000423071054 943382258 /nfs/dbraw/zinc/38/22/58/943382258.db2.gz NXHRXIJYJYUARY-PMUMKWKESA-N 1 3 362.315 3.843 20 0 FHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC1(CCOCc2ccccc2)CC1 ZINC000423055103 943385490 /nfs/dbraw/zinc/38/54/90/943385490.db2.gz VUAWDCLOJOMRNZ-QGZVFWFLSA-N 1 3 353.510 3.886 20 0 FHADHO C[C@H](CCCC[NH3+])NCc1ccc(Cl)cc1I ZINC000423083799 943388301 /nfs/dbraw/zinc/38/83/01/943388301.db2.gz HAKJOHGOMHXYMV-SNVBAGLBSA-N 1 3 366.674 3.552 20 0 FHADHO N[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3cccc(Br)c3)C2)c2ccccc21 ZINC000423088926 943390617 /nfs/dbraw/zinc/39/06/17/943390617.db2.gz RHKJVMHKHHAANZ-ZMYBRWDISA-N 1 3 372.310 3.762 20 0 FHADHO C[C@H]([NH3+])C[C@H](C)NC[C@H](c1ccc(Cl)cc1)N(C)CCC(F)(F)F ZINC000423097092 943392685 /nfs/dbraw/zinc/39/26/85/943392685.db2.gz AHHDHWPBNWAFLK-HEHGZKQESA-N 1 3 365.871 3.981 20 0 FHADHO Clc1ccc([C@H]2C[C@H](N[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)C2)cc1Cl ZINC000423100959 943394551 /nfs/dbraw/zinc/39/45/51/943394551.db2.gz NDDPLCFLDLSDGQ-ZZGLYJMHSA-N 1 3 369.336 3.986 20 0 FHADHO CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000423114416 943395652 /nfs/dbraw/zinc/39/56/52/943395652.db2.gz VPQHEVWQDJAANI-DESBSMFKSA-N 1 3 353.510 3.851 20 0 FHADHO CSc1ccc([C@H](C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)N)N(C)C)cc1 ZINC000423146191 943407206 /nfs/dbraw/zinc/40/72/06/943407206.db2.gz OLHLCGOPZZZIBA-CZAAIQMYSA-N 1 3 357.567 3.559 20 0 FHADHO CSc1ccc([C@H](CN[C@@H](Cc2ccccc2)[C@@H](C)[NH3+])N(C)C)cc1 ZINC000423146191 943407208 /nfs/dbraw/zinc/40/72/08/943407208.db2.gz OLHLCGOPZZZIBA-CZAAIQMYSA-N 1 3 357.567 3.559 20 0 FHADHO CN1CCC[C@H](N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c2ccccc21 ZINC000423152917 943411736 /nfs/dbraw/zinc/41/17/36/943411736.db2.gz GLKLOYWPUIGIIH-JTAQYXEDSA-N 1 3 363.505 3.803 20 0 FHADHO COC[C@@H](CCC[NH3+])N[C@@H](Cc1ccccc1)c1nc2ccccc2s1 ZINC000423155721 943412214 /nfs/dbraw/zinc/41/22/14/943412214.db2.gz LNMQHTLCDXWJOZ-MJGOQNOKSA-N 1 3 369.534 3.924 20 0 FHADHO c1nc(SC2CCCC2)ncc1CCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423138508 943416108 /nfs/dbraw/zinc/41/61/08/943416108.db2.gz TUDJUQNWSRQAIO-QRVBRYPASA-N 1 3 360.571 3.564 20 0 FHADHO C[C@H](N[C@@H]1CCCC[C@@H]1C[NH3+])c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423264572 943455513 /nfs/dbraw/zinc/45/55/13/943455513.db2.gz ABOCIVGOFRZCJD-XAUMDUMWSA-N 1 3 364.555 3.571 20 0 FHADHO C[C@@H]([NH3+])c1ccc(CN[C@H](C)c2ccc(NC(=O)NC3CC3)cc2)cc1 ZINC000423293467 943466144 /nfs/dbraw/zinc/46/61/44/943466144.db2.gz RKKLDXSSFKFLDK-HUUCEWRRSA-N 1 3 352.482 3.841 20 0 FHADHO CCc1ccc(C[C@@H](Cc2ccc(Cl)cc2)NCC2([NH3+])CCC2)nc1 ZINC000423333000 943482538 /nfs/dbraw/zinc/48/25/38/943482538.db2.gz PQQRLIJRKDPTHP-HXUWFJFHSA-N 1 3 357.929 3.922 20 0 FHADHO Brc1cccc([C@@H](NCC[C@H]2CCC[NH2+]2)C2CCOCC2)c1 ZINC000423368555 943493805 /nfs/dbraw/zinc/49/38/05/943493805.db2.gz RZKQHTLGQYPHFX-MSOLQXFVSA-N 1 3 367.331 3.649 20 0 FHADHO Fc1ccc2c(c1Br)CC[C@@H]2NCc1ccc2c(c1)C[NH2+]C2 ZINC000423370836 943494449 /nfs/dbraw/zinc/49/44/49/943494449.db2.gz FYDUMOILJXBUCX-KRWDZBQOSA-N 1 3 361.258 3.969 20 0 FHADHO Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)C1 ZINC000423482502 943520974 /nfs/dbraw/zinc/52/09/74/943520974.db2.gz XWOXEMUZJOJLGV-KOUHRCEDSA-N 1 3 370.516 3.568 20 0 FHADHO CN(CCC(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000435624176 943526054 /nfs/dbraw/zinc/52/60/54/943526054.db2.gz WVNWPFJFGPLASW-LJQANCHMSA-N 1 3 351.494 3.756 20 0 FHADHO C[C@H](CC(=O)Nc1ccccc1)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423474422 943526310 /nfs/dbraw/zinc/52/63/10/943526310.db2.gz OTZTZRLZERQEGD-PLMTUMEDSA-N 1 3 369.484 3.526 20 0 FHADHO [NH3+]C[C@@H]1CC[C@H](N[C@H](c2ccc(Br)o2)c2ccc(F)cc2)C1 ZINC000423514399 943542518 /nfs/dbraw/zinc/54/25/18/943542518.db2.gz SBYCHCNVMBPXLJ-WHCBVINPSA-N 1 3 367.262 3.988 20 0 FHADHO CCOc1ccccc1[C@H](C)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000423578734 943562408 /nfs/dbraw/zinc/56/24/08/943562408.db2.gz UWZCPOWDNHAUTE-IBGZPJMESA-N 1 3 367.537 3.729 20 0 FHADHO C[C@@H]1C[C@H](CN2CCO[C@H](c3ccc(Br)cc3)[C@H]2C)CC[NH2+]1 ZINC000414752099 943566331 /nfs/dbraw/zinc/56/63/31/943566331.db2.gz JYXFCCKREHDDMA-ADAWSYLGSA-N 1 3 367.331 3.599 20 0 FHADHO COc1ccc(-c2nc(CN3CC4(C[C@H]3C)CC[NH2+]CC4)cs2)cc1 ZINC000424302498 943822459 /nfs/dbraw/zinc/82/24/59/943822459.db2.gz ZRGWYJZJMJWFSS-OAHLLOKOSA-N 1 3 357.523 3.783 20 0 FHADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC000584873185 943838149 /nfs/dbraw/zinc/83/81/49/943838149.db2.gz ULQYIEVLGQMBMO-QUCCMNQESA-N 1 3 357.542 3.593 20 0 FHADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC000584873185 943838154 /nfs/dbraw/zinc/83/81/54/943838154.db2.gz ULQYIEVLGQMBMO-QUCCMNQESA-N 1 3 357.542 3.593 20 0 FHADHO [NH3+]C[C@@H](CN1CCC(c2c[nH]c3ncccc23)CC1)c1ccc(F)cc1 ZINC000424307993 943853402 /nfs/dbraw/zinc/85/34/02/943853402.db2.gz ZAHNVQIVVUTJJN-KRWDZBQOSA-N 1 3 352.457 3.624 20 0 FHADHO [NH3+]C[C@H](CN1CCC(c2c[nH]c3ncccc23)CC1)c1ccc(F)cc1 ZINC000424307994 943854880 /nfs/dbraw/zinc/85/48/80/943854880.db2.gz ZAHNVQIVVUTJJN-QGZVFWFLSA-N 1 3 352.457 3.624 20 0 FHADHO Cc1ccccc1O[C@H]1CCCC[C@H]1NCc1cc(C2CC[NH2+]CC2)no1 ZINC000425898559 944118158 /nfs/dbraw/zinc/11/81/58/944118158.db2.gz ZHQQULOPONCKAU-KNQAVFIVSA-N 1 3 369.509 3.930 20 0 FHADHO Cc1ccccc1O[C@H]1CCCC[C@@H]1NCc1cc(C2CC[NH2+]CC2)no1 ZINC000425898561 944118192 /nfs/dbraw/zinc/11/81/92/944118192.db2.gz ZHQQULOPONCKAU-UGKGYDQZSA-N 1 3 369.509 3.930 20 0 FHADHO Fc1cccc2[nH]c(C[NH2+]C[C@H]3CCN(CCc4ccccc4)C3)cc21 ZINC000436239119 944126400 /nfs/dbraw/zinc/12/64/00/944126400.db2.gz LGNOASXITKWBCY-GOSISDBHSA-N 1 3 351.469 3.961 20 0 FHADHO C[C@H]1SCCN(Cc2cncc(C[N@@H+]3CCS[C@@H](C)[C@@H]3C)c2)[C@H]1C ZINC000515772308 944195910 /nfs/dbraw/zinc/19/59/10/944195910.db2.gz WOUXMKZVNCETEW-LUKYLMHMSA-N 1 3 365.612 3.733 20 0 FHADHO C[C@H]1SCCN(Cc2cncc(C[N@H+]3CCS[C@@H](C)[C@@H]3C)c2)[C@H]1C ZINC000515772308 944195916 /nfs/dbraw/zinc/19/59/16/944195916.db2.gz WOUXMKZVNCETEW-LUKYLMHMSA-N 1 3 365.612 3.733 20 0 FHADHO C[C@H]1SCC[N@@H+](Cc2cncc(CN3CCS[C@@H](C)[C@@H]3C)c2)[C@H]1C ZINC000515772308 944195920 /nfs/dbraw/zinc/19/59/20/944195920.db2.gz WOUXMKZVNCETEW-LUKYLMHMSA-N 1 3 365.612 3.733 20 0 FHADHO C[C@H]1SCC[N@H+](Cc2cncc(CN3CCS[C@@H](C)[C@@H]3C)c2)[C@H]1C ZINC000515772308 944195925 /nfs/dbraw/zinc/19/59/25/944195925.db2.gz WOUXMKZVNCETEW-LUKYLMHMSA-N 1 3 365.612 3.733 20 0 FHADHO CN(C)[C@@H]1CCC[N@H+](CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)CC1 ZINC000894568146 944267530 /nfs/dbraw/zinc/26/75/30/944267530.db2.gz ZJOPEQJSIUCQEZ-MSRNWOCLSA-N 1 3 365.562 3.581 20 0 FHADHO CN(C)[C@@H]1CCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)CC1 ZINC000894568146 944267540 /nfs/dbraw/zinc/26/75/40/944267540.db2.gz ZJOPEQJSIUCQEZ-MSRNWOCLSA-N 1 3 365.562 3.581 20 0 FHADHO O=C(N[C@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC1)C1CCCC1 ZINC001167975162 944273960 /nfs/dbraw/zinc/27/39/60/944273960.db2.gz JRSDEAUFGYWHJT-BSWHZDNUSA-N 1 3 373.585 3.599 20 0 FHADHO FC(F)(F)c1ccc(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cn1 ZINC001167960760 944282453 /nfs/dbraw/zinc/28/24/53/944282453.db2.gz BTHHFEAURIBXMX-ALOPSCKCSA-N 1 3 353.432 3.638 20 0 FHADHO FC(F)(F)c1ccc(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cn1 ZINC001167960760 944282459 /nfs/dbraw/zinc/28/24/59/944282459.db2.gz BTHHFEAURIBXMX-ALOPSCKCSA-N 1 3 353.432 3.638 20 0 FHADHO CC(C)c1nnc(CCN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000426301099 944413107 /nfs/dbraw/zinc/41/31/07/944413107.db2.gz LLSRIXJEMMBNNH-AEFFLSMTSA-N 1 3 358.555 3.704 20 0 FHADHO CC(C)c1nnc(CCN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000426301099 944413112 /nfs/dbraw/zinc/41/31/12/944413112.db2.gz LLSRIXJEMMBNNH-AEFFLSMTSA-N 1 3 358.555 3.704 20 0 FHADHO CC(C)(C)OC(=O)C1(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CCCC1 ZINC001167981813 944490524 /nfs/dbraw/zinc/49/05/24/944490524.db2.gz LJBQTYQQSKLHRH-YQQQUEKLSA-N 1 3 362.558 3.884 20 0 FHADHO CC(C)(C)OC(=O)C1(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCCC1 ZINC001167981813 944490526 /nfs/dbraw/zinc/49/05/26/944490526.db2.gz LJBQTYQQSKLHRH-YQQQUEKLSA-N 1 3 362.558 3.884 20 0 FHADHO CCN1CCN(c2ccccc2C[NH2+]Cc2cccc(CSC)c2)CC1 ZINC000438369646 944540452 /nfs/dbraw/zinc/54/04/52/944540452.db2.gz ZKRVYPWHTOECEI-UHFFFAOYSA-N 1 3 369.578 3.981 20 0 FHADHO C[C@H](NC[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1ccc(-n2cncn2)cc1 ZINC000366694502 944553809 /nfs/dbraw/zinc/55/38/09/944553809.db2.gz JTPZGUIUDIFJFY-WEYGHZABSA-N 1 3 361.493 3.611 20 0 FHADHO C[C@H](NC[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1)c1ccc(-n2cncn2)cc1 ZINC000366694502 944553814 /nfs/dbraw/zinc/55/38/14/944553814.db2.gz JTPZGUIUDIFJFY-WEYGHZABSA-N 1 3 361.493 3.611 20 0 FHADHO C[C@@H]1C[N@@H+](CCC2CCN(c3ccnc4ccccc43)CC2)C[C@H](C)O1 ZINC000426392486 944639880 /nfs/dbraw/zinc/63/98/80/944639880.db2.gz AOCVHPHJABYPKI-HDICACEKSA-N 1 3 353.510 3.951 20 0 FHADHO C[C@@H]1C[N@H+](CCC2CCN(c3ccnc4ccccc43)CC2)C[C@H](C)O1 ZINC000426392486 944639884 /nfs/dbraw/zinc/63/98/84/944639884.db2.gz AOCVHPHJABYPKI-HDICACEKSA-N 1 3 353.510 3.951 20 0 FHADHO C[NH+](C)CC1CCN(Cc2cc3ccccc3nc2N2CCCCC2)CC1 ZINC000506868201 944685763 /nfs/dbraw/zinc/68/57/63/944685763.db2.gz QYEQTAFWJMQNQY-UHFFFAOYSA-N 1 3 366.553 3.999 20 0 FHADHO CCC1(C)CCN(CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000507182703 945013426 /nfs/dbraw/zinc/01/34/26/945013426.db2.gz NETOGEIXJARRTQ-UHFFFAOYSA-N 1 3 371.569 3.588 20 0 FHADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NC[C@@H]3Cc4ccccc4N(C)C3)CC2)C1 ZINC000437097252 945016764 /nfs/dbraw/zinc/01/67/64/945016764.db2.gz PDJJNWKJZDTZNU-DXIQSLLYSA-N 1 3 355.570 3.928 20 0 FHADHO c1ccc(CCOCCC[NH+]2CCC(NCc3ccccc3)CC2)cc1 ZINC000660675484 945381986 /nfs/dbraw/zinc/38/19/86/945381986.db2.gz FLHWRIAGKDGOFT-UHFFFAOYSA-N 1 3 352.522 3.890 20 0 FHADHO Cc1c(F)cccc1NC(=O)CC[NH+]1CCC(NCc2ccccc2)CC1 ZINC000660677258 945384626 /nfs/dbraw/zinc/38/46/26/945384626.db2.gz XVDARRINORIOQQ-UHFFFAOYSA-N 1 3 369.484 3.717 20 0 FHADHO Fc1cc(CN[C@H]2CC[NH2+][C@H](c3ccccc3)C2)ccc1-n1ccnc1 ZINC000415075457 945551214 /nfs/dbraw/zinc/55/12/14/945551214.db2.gz BLBVXKMPVMGJQH-ICSRJNTNSA-N 1 3 350.441 3.594 20 0 FHADHO CC(C)N1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3C)[C@@H]1c1ccc(F)c(F)c1 ZINC000893416432 945683853 /nfs/dbraw/zinc/68/38/53/945683853.db2.gz IZHMLZBZKOACCQ-MTURHBOBSA-N 1 3 363.496 3.703 20 0 FHADHO C[C@H]1C[C@@H]([NH2+]Cc2cc(C(F)(F)F)n[nH]2)CCN1Cc1ccccc1 ZINC000440614184 945709805 /nfs/dbraw/zinc/70/98/05/945709805.db2.gz MRMRKSZSFJIETF-ZFWWWQNUSA-N 1 3 352.404 3.571 20 0 FHADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(-c2c(F)cccc2F)cc1 ZINC000519793442 945747230 /nfs/dbraw/zinc/74/72/30/945747230.db2.gz QOAVFCBXNLJOIC-HNNXBMFYSA-N 1 3 360.448 3.739 20 0 FHADHO CCOc1cc2nccc(N3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)c2cc1OCC ZINC000301700507 945922361 /nfs/dbraw/zinc/92/23/61/945922361.db2.gz FLBHWXAFKCYAEN-QFBILLFUSA-N 1 3 369.509 3.953 20 0 FHADHO CCOc1cc2nccc(N3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)c2cc1OCC ZINC000301700507 945922373 /nfs/dbraw/zinc/92/23/73/945922373.db2.gz FLBHWXAFKCYAEN-QFBILLFUSA-N 1 3 369.509 3.953 20 0 FHADHO CC(C)C(=O)NC1CCN(C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001168050984 945973108 /nfs/dbraw/zinc/97/31/08/945973108.db2.gz DZHLVHFHPYXJHO-RTBURBONSA-N 1 3 371.569 3.665 20 0 FHADHO Clc1cc(Br)ccc1CCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000645504401 945979424 /nfs/dbraw/zinc/97/94/24/945979424.db2.gz IYVJZUZQYYYPQC-GJZGRUSLSA-N 1 3 357.723 3.861 20 0 FHADHO Clc1cc(Br)ccc1CCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000645504401 945979434 /nfs/dbraw/zinc/97/94/34/945979434.db2.gz IYVJZUZQYYYPQC-GJZGRUSLSA-N 1 3 357.723 3.861 20 0 FHADHO CCCN1CCC[C@@H]1C(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000522891766 946064820 /nfs/dbraw/zinc/06/48/20/946064820.db2.gz HWLOVPKQKVEFIS-CNNODRBYSA-N 1 3 371.569 3.655 20 0 FHADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C[C@@H]2NCc3ccccc32)CC1 ZINC000662825198 946074316 /nfs/dbraw/zinc/07/43/16/946074316.db2.gz FJCBFQKSRBRKSG-GCJKJVERSA-N 1 3 369.553 3.724 20 0 FHADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)C[C@@H]2NCc3ccccc32)CC1 ZINC000662825198 946074328 /nfs/dbraw/zinc/07/43/28/946074328.db2.gz FJCBFQKSRBRKSG-GCJKJVERSA-N 1 3 369.553 3.724 20 0 FHADHO CCOc1cc2nccc(N3CCC[C@H]4C[N@H+](C)CC[C@H]43)c2cc1OCC ZINC000302752164 946309865 /nfs/dbraw/zinc/30/98/65/946309865.db2.gz UVEPHRFFUJBWCL-QFBILLFUSA-N 1 3 369.509 3.953 20 0 FHADHO CCOc1cc2nccc(N3CCC[C@H]4C[N@@H+](C)CC[C@H]43)c2cc1OCC ZINC000302752164 946309877 /nfs/dbraw/zinc/30/98/77/946309877.db2.gz UVEPHRFFUJBWCL-QFBILLFUSA-N 1 3 369.509 3.953 20 0 FHADHO CC1CC[NH+](CCC[C@@H](N[C@H](CO)CCF)c2ccc(F)cc2)CC1 ZINC000652301932 946651676 /nfs/dbraw/zinc/65/16/76/946651676.db2.gz KPWWWSDPISZOAB-VQTJNVASSA-N 1 3 354.485 3.689 20 0 FHADHO COc1ccc(-c2nc(CN3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)co2)cc1 ZINC000647976646 946889875 /nfs/dbraw/zinc/88/98/75/946889875.db2.gz RNWHXJAERJSXIR-MSOLQXFVSA-N 1 3 355.482 3.562 20 0 FHADHO c1ccc(-c2n[nH]c(C3CC[NH+](CCCN4CCCCC4)CC3)n2)cc1 ZINC000444619491 947051785 /nfs/dbraw/zinc/05/17/85/947051785.db2.gz KDPVMFTXTZWMMO-UHFFFAOYSA-N 1 3 353.514 3.527 20 0 FHADHO CCN(CC)c1ncc(C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)s1 ZINC000192934030 947114772 /nfs/dbraw/zinc/11/47/72/947114772.db2.gz GDEQZKMRGZNJJH-SFHVURJKSA-N 1 3 358.555 3.601 20 0 FHADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(F)cc1OC(F)F ZINC000247072926 947260775 /nfs/dbraw/zinc/26/07/75/947260775.db2.gz QHNLTEFHUFVQJA-RBSFLKMASA-N 1 3 374.447 3.967 20 0 FHADHO CN(C)Cc1ccccc1C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000487474788 947320976 /nfs/dbraw/zinc/32/09/76/947320976.db2.gz YXFXVYJPXXWKEZ-QHCPKHFHSA-N 1 3 365.521 3.533 20 0 FHADHO CN(C)Cc1ccccc1C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000487474788 947320990 /nfs/dbraw/zinc/32/09/90/947320990.db2.gz YXFXVYJPXXWKEZ-QHCPKHFHSA-N 1 3 365.521 3.533 20 0 FHADHO Cc1cc(C[NH+](C)C)ccc1NC(=O)c1cccc(CN2CCCC2)c1 ZINC000909613066 947370146 /nfs/dbraw/zinc/37/01/46/947370146.db2.gz HAVULSRRAZBISW-UHFFFAOYSA-N 1 3 351.494 3.905 20 0 FHADHO C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000520451873 947504837 /nfs/dbraw/zinc/50/48/37/947504837.db2.gz ALWHVJICXIHSRB-KBRIMQKVSA-N 1 3 371.447 3.885 20 0 FHADHO C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000520451873 947504845 /nfs/dbraw/zinc/50/48/45/947504845.db2.gz ALWHVJICXIHSRB-KBRIMQKVSA-N 1 3 371.447 3.885 20 0 FHADHO Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662264586 947683899 /nfs/dbraw/zinc/68/38/99/947683899.db2.gz RIJUZZLELLXYAY-RDJZCZTQSA-N 1 3 357.523 3.632 20 0 FHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCc1sccc1Br ZINC000925761185 947698349 /nfs/dbraw/zinc/69/83/49/947698349.db2.gz AZUHAKZXQHLIGF-JTQLQIEISA-N 1 3 354.317 3.566 20 0 FHADHO O=C(c1cccc(CN2CCC([C@H]3CCC[NH2+]C3)CC2)c1)N1CCCCC1 ZINC000662292815 947715179 /nfs/dbraw/zinc/71/51/79/947715179.db2.gz OXDFSOMFNHXYQD-QFIPXVFZSA-N 1 3 369.553 3.524 20 0 FHADHO CC(C)c1ccccc1NC(=O)[C@H](C)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662294027 947716021 /nfs/dbraw/zinc/71/60/21/947716021.db2.gz AEVSJKUWFJASEU-PKOBYXMFSA-N 1 3 357.542 3.849 20 0 FHADHO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662298452 947720488 /nfs/dbraw/zinc/72/04/88/947720488.db2.gz WEKFSKVIMJGHDA-NVXWUHKLSA-N 1 3 363.933 3.687 20 0 FHADHO c1ccc(-n2nc(CN3CCC[C@@H](C4CC[NH2+]CC4)C3)c3c2CCC3)cc1 ZINC000662295965 947721253 /nfs/dbraw/zinc/72/12/53/947721253.db2.gz JLDDWKBFRXYLNC-LJQANCHMSA-N 1 3 364.537 3.573 20 0 FHADHO C[C@@H](c1ccccc1F)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662326978 947748134 /nfs/dbraw/zinc/74/81/34/947748134.db2.gz BXUGFODVXGIRSG-HNNXBMFYSA-N 1 3 356.489 3.956 20 0 FHADHO CSc1ccc(CN2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)cc1 ZINC000662327798 947758609 /nfs/dbraw/zinc/75/86/09/947758609.db2.gz MRBDQLYUVIWWMN-UHFFFAOYSA-N 1 3 370.566 3.978 20 0 FHADHO OC1CC[NH+](Cc2ccc(CN[C@@H](c3cccnc3)C3CCC3)cc2)CC1 ZINC000280810822 947882883 /nfs/dbraw/zinc/88/28/83/947882883.db2.gz JDPMYQCDVCJAQM-HSZRJFAPSA-N 1 3 365.521 3.669 20 0 FHADHO COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCCN(CC3CC3)C2)c(C)c1OC ZINC000663466602 948058368 /nfs/dbraw/zinc/05/83/68/948058368.db2.gz VYPKOXUQDUSAOY-QFBILLFUSA-N 1 3 360.542 3.655 20 0 FHADHO O[C@@H](C[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000312042655 948066155 /nfs/dbraw/zinc/06/61/55/948066155.db2.gz XDDCTPMELMMYIN-UGKGYDQZSA-N 1 3 356.485 3.751 20 0 FHADHO Cc1cccc(NC(=O)C[C@H](C)NC[C@@H]2CCC[N@H+](CC3CC3)C2)c1C ZINC000663472235 948068722 /nfs/dbraw/zinc/06/87/22/948068722.db2.gz ZXUSFJDOLUVBMJ-PXNSSMCTSA-N 1 3 357.542 3.732 20 0 FHADHO Cc1cccc(NC(=O)C[C@H](C)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)c1C ZINC000663472235 948068729 /nfs/dbraw/zinc/06/87/29/948068729.db2.gz ZXUSFJDOLUVBMJ-PXNSSMCTSA-N 1 3 357.542 3.732 20 0 FHADHO Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCCN(CC3CC3)C2)c1C ZINC000663472235 948068733 /nfs/dbraw/zinc/06/87/33/948068733.db2.gz ZXUSFJDOLUVBMJ-PXNSSMCTSA-N 1 3 357.542 3.732 20 0 FHADHO CC[NH+](CC)CCC[C@@H](C)N1CCN(C(=O)OC(C)(C)C)C2(CC2)C1 ZINC001167833385 948222340 /nfs/dbraw/zinc/22/23/40/948222340.db2.gz AORUMTBGHFHUAR-QGZVFWFLSA-N 1 3 353.551 3.582 20 0 FHADHO CC[NH+](CC)CCC[C@H](C)N1CCN(c2ccc3ccccc3n2)CC1 ZINC001167838068 948312099 /nfs/dbraw/zinc/31/20/99/948312099.db2.gz PFXHAHYCZQIEJL-IBGZPJMESA-N 1 3 354.542 3.867 20 0 FHADHO CCN(CC)C(=O)Nc1ccc([C@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000152367272 948386112 /nfs/dbraw/zinc/38/61/12/948386112.db2.gz WLXXRQMITUKXHR-IRXDYDNUSA-N 1 3 358.530 3.695 20 0 FHADHO CCN(CC)C(=O)Nc1ccc([C@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000152367272 948386118 /nfs/dbraw/zinc/38/61/18/948386118.db2.gz WLXXRQMITUKXHR-IRXDYDNUSA-N 1 3 358.530 3.695 20 0 FHADHO CC[C@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(OC(F)F)cc1 ZINC000432427535 948397903 /nfs/dbraw/zinc/39/79/03/948397903.db2.gz ZFTFBEWMFWJGEF-YJBOKZPZSA-N 1 3 356.457 3.830 20 0 FHADHO CC[C@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(OC(F)F)cc1 ZINC000432427535 948397910 /nfs/dbraw/zinc/39/79/10/948397910.db2.gz ZFTFBEWMFWJGEF-YJBOKZPZSA-N 1 3 356.457 3.830 20 0 FHADHO Brc1cccc2c1OCCC[C@H]2[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000152415910 948593286 /nfs/dbraw/zinc/59/32/86/948593286.db2.gz UOEGFPDYAOISAI-SUMWQHHRSA-N 1 3 365.315 3.737 20 0 FHADHO CCCC[N@H+](C)CC1CCN([C@@H](C)C(=O)N(CC)Cc2ccccc2)CC1 ZINC000521430130 568030466 /nfs/dbraw/zinc/03/04/66/568030466.db2.gz PTSLCAOPWGAITI-FQEVSTJZSA-N 1 3 373.585 3.868 20 0 FHADHO CCCC[N@@H+](C)CC1CCN([C@@H](C)C(=O)N(CC)Cc2ccccc2)CC1 ZINC000521430130 568030467 /nfs/dbraw/zinc/03/04/67/568030467.db2.gz PTSLCAOPWGAITI-FQEVSTJZSA-N 1 3 373.585 3.868 20 0 FHADHO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c(CN(C)C)c1 ZINC000603694955 568136785 /nfs/dbraw/zinc/13/67/85/568136785.db2.gz OWVCNFOWLPFSBJ-HXUWFJFHSA-N 1 3 365.521 3.907 20 0 FHADHO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c(CN(C)C)c1 ZINC000603694955 568136786 /nfs/dbraw/zinc/13/67/86/568136786.db2.gz OWVCNFOWLPFSBJ-HXUWFJFHSA-N 1 3 365.521 3.907 20 0 FHADHO CCc1nn(C)c(CC)c1C[N@@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000583111564 937128787 /nfs/dbraw/zinc/12/87/87/937128787.db2.gz ZCYCGOJVGYAXDH-HSZRJFAPSA-N 1 3 366.553 3.643 20 0 FHADHO CCc1nn(C)c(CC)c1C[N@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000583111564 937128789 /nfs/dbraw/zinc/12/87/89/937128789.db2.gz ZCYCGOJVGYAXDH-HSZRJFAPSA-N 1 3 366.553 3.643 20 0 FHADHO C[C@@H](NCc1cccc(C[NH+](C)C)c1)c1cccc(N2CCOC2=O)c1 ZINC000123587941 937161773 /nfs/dbraw/zinc/16/17/73/937161773.db2.gz SGFFLJDBTPDVSZ-MRXNPFEDSA-N 1 3 353.466 3.556 20 0 FHADHO CCc1ccc(NC(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)cc1F ZINC000654950925 927650289 /nfs/dbraw/zinc/65/02/89/927650289.db2.gz YIQVFCZGHGMTGL-UHFFFAOYSA-N 1 3 361.505 3.523 20 0 FHADHO CCCN1CCN(c2ccccc2C[N@@H+]2CCC[C@@H](CSC)C2)CC1 ZINC000430199856 927940703 /nfs/dbraw/zinc/94/07/03/927940703.db2.gz VIYDUFXISXSYGJ-LJQANCHMSA-N 1 3 361.599 3.794 20 0 FHADHO CCCN1CCN(c2ccccc2C[N@H+]2CCC[C@@H](CSC)C2)CC1 ZINC000430199856 927940706 /nfs/dbraw/zinc/94/07/06/927940706.db2.gz VIYDUFXISXSYGJ-LJQANCHMSA-N 1 3 361.599 3.794 20 0 FHADHO NCc1cn([C@@H]2CCC[N@H+](Cc3ccc(C4CCCCC4)cc3)C2)nn1 ZINC000579818118 927968117 /nfs/dbraw/zinc/96/81/17/927968117.db2.gz LUYBLBZPODQNQD-OAQYLSRUSA-N 1 3 353.514 3.622 20 0 FHADHO NCc1cn([C@@H]2CCC[N@@H+](Cc3ccc(C4CCCCC4)cc3)C2)nn1 ZINC000579818118 927968128 /nfs/dbraw/zinc/96/81/28/927968128.db2.gz LUYBLBZPODQNQD-OAQYLSRUSA-N 1 3 353.514 3.622 20 0 FHADHO COc1ccccc1-c1ncc(CN2CCC(CCC[NH+](C)C)CC2)cn1 ZINC000430233181 928359477 /nfs/dbraw/zinc/35/94/77/928359477.db2.gz JVNQFQAFHLFUPL-UHFFFAOYSA-N 1 3 368.525 3.706 20 0 FHADHO CC(C)[C@H](CNC(=O)c1cccc(CN2CCCC2)c1)[NH+]1CCC(C)CC1 ZINC000109116927 928407180 /nfs/dbraw/zinc/40/71/80/928407180.db2.gz FHGYIZXZLWANRE-QFIPXVFZSA-N 1 3 371.569 3.769 20 0 FHADHO CN1CCC[C@H]1CC[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000179453262 928755355 /nfs/dbraw/zinc/75/53/55/928755355.db2.gz MMHLUWPMIDSPTO-KRWDZBQOSA-N 1 3 367.331 3.529 20 0 FHADHO CCCOc1cccc(NC(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)c1 ZINC000579867129 928906853 /nfs/dbraw/zinc/90/68/53/928906853.db2.gz XLELXFGQCQYNOD-UHFFFAOYSA-N 1 3 373.541 3.610 20 0 FHADHO CCN1CCN(C[C@H](C)C[NH2+][C@@H](c2ccccc2)c2ccc(C)cc2)CC1 ZINC000180440834 929512343 /nfs/dbraw/zinc/51/23/43/929512343.db2.gz VLXYEMYVKVIYPM-QPPBQGQZSA-N 1 3 365.565 3.948 20 0 FHADHO CCCC[C@H](C)N(C)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000580014282 929862614 /nfs/dbraw/zinc/86/26/14/929862614.db2.gz FZGJNRIHBJKMNY-IBGZPJMESA-N 1 3 359.558 3.586 20 0 FHADHO CN(C)Cc1c2ccccc2oc1C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275727726 930053884 /nfs/dbraw/zinc/05/38/84/930053884.db2.gz WWAORUBVAITMSM-UHFFFAOYSA-N 1 3 365.477 3.851 20 0 FHADHO CCN(C[C@@H](C[N@H+](C)Cc1ccccc1)c1ccccc1)CC(C)(C)O ZINC001167425384 930947121 /nfs/dbraw/zinc/94/71/21/930947121.db2.gz QRBGZOROZXZDLG-JOCHJYFZSA-N 1 3 354.538 3.995 20 0 FHADHO CCN(C[C@@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1)CC(C)(C)O ZINC001167425384 930947124 /nfs/dbraw/zinc/94/71/24/930947124.db2.gz QRBGZOROZXZDLG-JOCHJYFZSA-N 1 3 354.538 3.995 20 0 FHADHO Brc1ccc(CN2CCC([C@@H]3CC[NH2+]C3)CC2)c2ncccc12 ZINC000581191400 931651660 /nfs/dbraw/zinc/65/16/60/931651660.db2.gz ZEWICWLMECXPCQ-OAHLLOKOSA-N 1 3 374.326 3.819 20 0 FHADHO C[C@H]([NH3+])[C@@H]1CCCN(CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000430569257 931906004 /nfs/dbraw/zinc/90/60/04/931906004.db2.gz HFTASEGPTCIBKM-ZWKOTPCHSA-N 1 3 367.493 3.867 20 0 FHADHO Fc1cc2c(c(F)c1)CC[C@@H]2[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000656682403 932325690 /nfs/dbraw/zinc/32/56/90/932325690.db2.gz CWJPXOIDHFWXTM-NRFANRHFSA-N 1 3 357.448 3.849 20 0 FHADHO COc1c(Br)cccc1CN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656783795 932419660 /nfs/dbraw/zinc/41/96/60/932419660.db2.gz UKZMBSQTRJZUOW-OAHLLOKOSA-N 1 3 367.331 3.669 20 0 FHADHO Fc1cccc(F)c1-c1n[nH]cc1CN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656784071 932420133 /nfs/dbraw/zinc/42/01/33/932420133.db2.gz CJRTUFIEZYNBPF-OAHLLOKOSA-N 1 3 360.452 3.567 20 0 FHADHO COc1ccc(CN2CCC[C@H](C3CC[NH2+]CC3)C2)cc1Br ZINC000656787013 932425897 /nfs/dbraw/zinc/42/58/97/932425897.db2.gz ZLTSMFUIOZJLQW-INIZCTEOSA-N 1 3 367.331 3.669 20 0 FHADHO COc1cc(CN2CCC[C@@H](C3CC[NH2+]CC3)C2)cc(Cl)c1OC ZINC000656786732 932426159 /nfs/dbraw/zinc/42/61/59/932426159.db2.gz XCPNSQAZYKKRPE-MRXNPFEDSA-N 1 3 352.906 3.569 20 0 FHADHO CC(C)(C)c1nn(Cc2ccccc2)cc1CN1CCC2(CC[NH2+]C2)CC1 ZINC000430933840 933431053 /nfs/dbraw/zinc/43/10/53/933431053.db2.gz MLHLWYZZDBPKHU-UHFFFAOYSA-N 1 3 366.553 3.804 20 0 FHADHO CCC[C@@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)N(C)C)c1ccccc1 ZINC000548442396 933792189 /nfs/dbraw/zinc/79/21/89/933792189.db2.gz YOTOVSLIDIBFLU-NHCUHLMSSA-N 1 3 353.510 3.537 20 0 FHADHO CC[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(I)cc1 ZINC000610825757 934500348 /nfs/dbraw/zinc/50/03/48/934500348.db2.gz MLSILPILMCSJDI-MAZHCROVSA-N 1 3 372.294 3.815 20 0 FHADHO CC[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(I)cc1 ZINC000610825757 934500354 /nfs/dbraw/zinc/50/03/54/934500354.db2.gz MLSILPILMCSJDI-MAZHCROVSA-N 1 3 372.294 3.815 20 0 FHADHO CC(C)c1ccc2c(c1)[C@H]([NH2+]C1CCN([C@@H]3CCC[C@H]3O)CC1)CCCO2 ZINC000537959153 934846286 /nfs/dbraw/zinc/84/62/86/934846286.db2.gz WVHLNKSVPSCCHM-YPAWHYETSA-N 1 3 372.553 3.991 20 0 FHADHO C[C@H]1CCCCN1CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000707947604 935309578 /nfs/dbraw/zinc/30/95/78/935309578.db2.gz FDVKYYJFNGQWFK-OKYOBFRVSA-N 1 3 365.562 3.629 20 0 FHADHO CC(C)COc1ccccc1CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000466908792 935502047 /nfs/dbraw/zinc/50/20/47/935502047.db2.gz UALJBSFXKVWXSG-UHFFFAOYSA-N 1 3 360.542 3.798 20 0 FHADHO CCOc1ccc(CNCc2ccccc2C[NH+]2CCC(O)CC2)c(C)c1 ZINC000657389658 935515127 /nfs/dbraw/zinc/51/51/27/935515127.db2.gz MNTHDKNMYGMAOJ-UHFFFAOYSA-N 1 3 368.521 3.640 20 0 FHADHO CC[NH+](CC)CCOc1ccc(NC(=O)[C@H]2CCCN2C2CCCC2)cc1 ZINC000439933443 945108001 /nfs/dbraw/zinc/10/80/01/945108001.db2.gz PRZMPJVKXBWNRR-OAQYLSRUSA-N 1 3 373.541 3.753 20 0 FHADHO CN1C[C@@H](C[NH2+]C2CCN(Cc3ccccc3)CC2)[C@H](c2ccccc2)C1 ZINC000647248589 935553582 /nfs/dbraw/zinc/55/35/82/935553582.db2.gz KLBIATJGIHOJBJ-VWNXMTODSA-N 1 3 363.549 3.586 20 0 FHADHO C[C@H]1C[C@H]([NH2+]Cc2cccnc2N2CCN(C)CC2)c2ccsc2S1 ZINC000158466670 935584883 /nfs/dbraw/zinc/58/48/83/935584883.db2.gz USRLLLWJTUDELK-YOEHRIQHSA-N 1 3 374.579 3.610 20 0 FHADHO O[C@H]1CC[N@H+](Cc2ccc(CNCc3ccc(Cl)c(Cl)c3)cc2)C1 ZINC000657593574 936073407 /nfs/dbraw/zinc/07/34/07/936073407.db2.gz IIGNUUZDFGNSMS-KRWDZBQOSA-N 1 3 365.304 3.850 20 0 FHADHO O[C@H]1CC[N@@H+](Cc2ccc(CNCc3ccc(Cl)c(Cl)c3)cc2)C1 ZINC000657593574 936073411 /nfs/dbraw/zinc/07/34/11/936073411.db2.gz IIGNUUZDFGNSMS-KRWDZBQOSA-N 1 3 365.304 3.850 20 0 FHADHO COc1cc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)ccc1SC ZINC000657611956 936092562 /nfs/dbraw/zinc/09/25/62/936092562.db2.gz GCGPHSZOAFRHHY-UHFFFAOYSA-N 1 3 371.550 3.814 20 0 FHADHO Fc1ccc(/C=C/C[NH2+]CC2CCN(Cc3ccncc3)CC2)c(F)c1 ZINC000657612956 936093860 /nfs/dbraw/zinc/09/38/60/936093860.db2.gz GTYPLDILUWLOGH-OWOJBTEDSA-N 1 3 357.448 3.875 20 0 FHADHO Oc1ccc2c(c1)[C@H](NCc1ccc(OCC[NH+]3CCCC3)cc1)CC2 ZINC000657692395 936256776 /nfs/dbraw/zinc/25/67/76/936256776.db2.gz UCSADIFAGBYLCX-JOCHJYFZSA-N 1 3 352.478 3.644 20 0 FHADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2Cc2cnc(-c3ccccc3)s2)C1 ZINC000650723397 938310641 /nfs/dbraw/zinc/31/06/41/938310641.db2.gz NHVMIVMVIIALSK-QRQLOZEOSA-N 1 3 357.523 3.671 20 0 FHADHO [NH3+]Cc1ccc(CN[C@H](Cc2ccccc2Cl)[C@@H]2CCCO2)c(F)c1 ZINC000650756307 938415002 /nfs/dbraw/zinc/41/50/02/938415002.db2.gz ZDDHLDDASFAYLF-UXHICEINSA-N 1 3 362.876 3.818 20 0 FHADHO C[NH2+]Cc1ccccc1CN[C@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000650758000 938422409 /nfs/dbraw/zinc/42/24/09/938422409.db2.gz GOUJKAROYKJHQF-MRXNPFEDSA-N 1 3 354.498 3.787 20 0 FHADHO CC[NH+]1CCC(N2CCC(C(=O)NCC[C@@H](C)CC(C)(C)C)CC2)CC1 ZINC000584003645 938533045 /nfs/dbraw/zinc/53/30/45/938533045.db2.gz LFXZFPQUXWKYBL-GOSISDBHSA-N 1 3 365.606 3.761 20 0 FHADHO O=C(c1ccc(F)cc1)[C@H]1CCCN(Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000584118208 938604855 /nfs/dbraw/zinc/60/48/55/938604855.db2.gz MPMOZPLNNQRKPR-IBGZPJMESA-N 1 3 352.453 3.566 20 0 FHADHO COc1cc2ccc([C@@H](C)NC[C@@H]3CC[N@@H+](C4CC4)C3)cc2cc1OC ZINC000657834007 938635353 /nfs/dbraw/zinc/63/53/53/938635353.db2.gz IDEAODIIRRYNEZ-CVEARBPZSA-N 1 3 354.494 3.992 20 0 FHADHO COc1cc2ccc([C@@H](C)NC[C@@H]3CC[N@H+](C4CC4)C3)cc2cc1OC ZINC000657834007 938635355 /nfs/dbraw/zinc/63/53/55/938635355.db2.gz IDEAODIIRRYNEZ-CVEARBPZSA-N 1 3 354.494 3.992 20 0 FHADHO CCC[NH+]1CCN(c2ccccc2CNCc2cc3ccccc3[nH]2)CC1 ZINC000151800817 938684580 /nfs/dbraw/zinc/68/45/80/938684580.db2.gz CBWZXERBVPWAFB-UHFFFAOYSA-N 1 3 362.521 3.990 20 0 FHADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000708530084 938802493 /nfs/dbraw/zinc/80/24/93/938802493.db2.gz WLWOEVXNYJJASM-HLAWJBBLSA-N 1 3 350.506 3.910 20 0 FHADHO CO[C@H](C[NH+]1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1)c1ccccc1 ZINC000584414923 938834277 /nfs/dbraw/zinc/83/42/77/938834277.db2.gz OFAQJPBFXZOXIO-CNNODRBYSA-N 1 3 360.542 3.585 20 0 FHADHO c1cc([C@H]2CCCN2Cc2ccc(OCC[NH+]3CCCC3)cc2)ccn1 ZINC000685452297 938987510 /nfs/dbraw/zinc/98/75/10/938987510.db2.gz CUNGFVSYUAKFOT-JOCHJYFZSA-N 1 3 351.494 3.893 20 0 FHADHO C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000708563115 938991540 /nfs/dbraw/zinc/99/15/40/938991540.db2.gz USDXXKGDBJWUTG-SBHAEUEKSA-N 1 3 365.521 3.761 20 0 FHADHO COC[C@@H](CC1CCOCC1)[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000658019637 939018983 /nfs/dbraw/zinc/01/89/83/939018983.db2.gz UAADBRZXUIOVBU-DHIUTWEWSA-N 1 3 374.569 3.710 20 0 FHADHO COc1ccc([C@@H](C)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1Cl ZINC000658143559 939036719 /nfs/dbraw/zinc/03/67/19/939036719.db2.gz ZIHJFUMDWVEVHB-BEFAXECRSA-N 1 3 374.912 3.766 20 0 FHADHO COc1ccc([C@@H](C)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1Cl ZINC000658143559 939036720 /nfs/dbraw/zinc/03/67/20/939036720.db2.gz ZIHJFUMDWVEVHB-BEFAXECRSA-N 1 3 374.912 3.766 20 0 FHADHO C[C@@H](NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1nccc2ccccc21 ZINC000658138101 939042540 /nfs/dbraw/zinc/04/25/40/939042540.db2.gz MSJDGFUHFVZMCJ-DYESRHJHSA-N 1 3 361.489 3.652 20 0 FHADHO C[C@@H](NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1nccc2ccccc21 ZINC000658138101 939042544 /nfs/dbraw/zinc/04/25/44/939042544.db2.gz MSJDGFUHFVZMCJ-DYESRHJHSA-N 1 3 361.489 3.652 20 0 FHADHO C[C@@H](CCCc1cccnc1)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658162164 939051690 /nfs/dbraw/zinc/05/16/90/939051690.db2.gz CBRGIAJKXVGANY-IBGZPJMESA-N 1 3 352.526 3.690 20 0 FHADHO c1ccc2c(c1)OCCC[C@H]2[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658165396 939053143 /nfs/dbraw/zinc/05/31/43/939053143.db2.gz JIBKYYAJUILGOU-OAQYLSRUSA-N 1 3 351.494 3.797 20 0 FHADHO Cc1ncncc1[C@H](C)[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000658319251 939110033 /nfs/dbraw/zinc/11/00/33/939110033.db2.gz YJTYRMXZXPDTHH-PXNSSMCTSA-N 1 3 350.510 3.738 20 0 FHADHO CCn1cc([C@H](C)[NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCC3)cn1 ZINC000658319419 939111600 /nfs/dbraw/zinc/11/16/00/939111600.db2.gz AMWIAQGYTZQBQP-RXVVDRJESA-N 1 3 352.526 3.856 20 0 FHADHO COC[C@H](NCC1CC[NH+](CC2CC2)CC1)c1cccc(Cl)c1F ZINC000658352358 939123790 /nfs/dbraw/zinc/12/37/90/939123790.db2.gz FKCCQVWHZGZMFE-SFHVURJKSA-N 1 3 354.897 3.878 20 0 FHADHO C[C@H]([NH2+]CC1CCN(Cc2ccccc2Cl)CC1)[C@H]1CCCOC1 ZINC000507516748 945279711 /nfs/dbraw/zinc/27/97/11/945279711.db2.gz XRFACYNMPBNZGU-LPHOPBHVSA-N 1 3 350.934 3.957 20 0 FHADHO Cc1ccsc1[C@H](CO)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000507520570 945299935 /nfs/dbraw/zinc/29/99/35/945299935.db2.gz RLKFOFNCZSCSJR-WCIQWLHISA-N 1 3 356.535 3.590 20 0 FHADHO Cc1ccsc1[C@H](CO)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000507520569 945299980 /nfs/dbraw/zinc/29/99/80/945299980.db2.gz RLKFOFNCZSCSJR-NMLBUPMWSA-N 1 3 356.535 3.590 20 0 FHADHO C[NH+]1CCC(N2CCC(NC(=O)CC(C)(C)C3CCCCC3)CC2)CC1 ZINC000376019920 940199624 /nfs/dbraw/zinc/19/96/24/940199624.db2.gz COYYPCCKZVHLSF-UHFFFAOYSA-N 1 3 363.590 3.658 20 0 FHADHO CC[C@H]([NH2+]CCCN1CCCCC1)c1cc(OC)c(OC)c(OC)c1 ZINC000652135745 945308943 /nfs/dbraw/zinc/30/89/43/945308943.db2.gz ZYKTZHXRFHXCPH-KRWDZBQOSA-N 1 3 350.503 3.629 20 0 FHADHO Cc1cc2ncc([C@H](C)[NH2+]C[C@H]3CCN(C)[C@@H]3c3ccccc3)c(C)n2n1 ZINC000376162185 940392324 /nfs/dbraw/zinc/39/23/24/940392324.db2.gz LNQOYLKWIXUTIZ-DKZVUGQWSA-N 1 3 363.509 3.690 20 0 FHADHO Cc1nn(-c2ccc(Cl)cc2)cc1CN1CCC(CC[NH+](C)C)CC1 ZINC000511505387 940674757 /nfs/dbraw/zinc/67/47/57/940674757.db2.gz DQVNRBPOMPCTJM-UHFFFAOYSA-N 1 3 360.933 3.998 20 0 FHADHO CC(C)N1CCC([NH2+][C@@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)CC1 ZINC000174295111 940718358 /nfs/dbraw/zinc/71/83/58/940718358.db2.gz AIQACUQOHWDSKC-ROUUACIJSA-N 1 3 367.537 3.868 20 0 FHADHO CC[N@H+](C)Cc1cccc(CN[C@@H]2CCC(=O)Nc3ccc(F)cc32)c1 ZINC000376297015 940723941 /nfs/dbraw/zinc/72/39/41/940723941.db2.gz VUAJJFXRAIHKRW-LJQANCHMSA-N 1 3 355.457 3.841 20 0 FHADHO CC[N@@H+](C)Cc1cccc(CN[C@@H]2CCC(=O)Nc3ccc(F)cc32)c1 ZINC000376297015 940723944 /nfs/dbraw/zinc/72/39/44/940723944.db2.gz VUAJJFXRAIHKRW-LJQANCHMSA-N 1 3 355.457 3.841 20 0 FHADHO CC(C)N(CCN(C)C)C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000440255242 945346764 /nfs/dbraw/zinc/34/67/64/945346764.db2.gz YMFZSADQRXUUOO-LJQANCHMSA-N 1 3 374.573 3.632 20 0 FHADHO CCN1CCN([C@@H](C)C[NH2+][C@H]2CCc3cc(Cl)cc(Cl)c32)CC1 ZINC000134317494 941012769 /nfs/dbraw/zinc/01/27/69/941012769.db2.gz PXYBWSYADSCHMQ-GUYCJALGSA-N 1 3 356.341 3.596 20 0 FHADHO COc1ccc(OC(F)F)c(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647544403 941064227 /nfs/dbraw/zinc/06/42/27/941064227.db2.gz ZUCOOPIGDXMMIO-LSDHHAIUSA-N 1 3 354.441 3.508 20 0 FHADHO COc1cc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc(Cl)c1OC ZINC000647543403 941065344 /nfs/dbraw/zinc/06/53/44/941065344.db2.gz MQJBYLAJUQZEDL-HZPDHXFCSA-N 1 3 352.906 3.569 20 0 FHADHO Cc1ccc(NC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)c(CN(C)C)c1 ZINC000659285958 941147137 /nfs/dbraw/zinc/14/71/37/941147137.db2.gz ULTNAZACRPZFNU-GOSISDBHSA-N 1 3 351.494 3.688 20 0 FHADHO C[C@H]([NH3+])c1ccc(NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)cc1 ZINC000178248422 941211740 /nfs/dbraw/zinc/21/17/40/941211740.db2.gz AIXZABIKLWQZGK-YJBOKZPZSA-N 1 3 355.457 3.696 20 0 FHADHO CC(=O)Nc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC000111391623 941572889 /nfs/dbraw/zinc/57/28/89/941572889.db2.gz UNGNBZPACBQMPU-NOTZXAQLSA-N 1 3 363.505 3.930 20 0 FHADHO COc1ccc([C@H](CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)N2CCCCC2)cc1 ZINC000415077988 941587960 /nfs/dbraw/zinc/58/79/60/941587960.db2.gz GASSIEXSQAVXSD-ODAXIHTASA-N 1 3 371.569 3.733 20 0 FHADHO CC(C)(C)NCC[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000415081585 941592483 /nfs/dbraw/zinc/59/24/83/941592483.db2.gz KXQXMPKJCWIVBE-UHFFFAOYSA-N 1 3 358.357 3.936 20 0 FHADHO Cc1ccccc1-c1cccc(C[N@@H+]2CCC[C@H](n3cc(CN)nn3)C2)c1 ZINC000415127393 941615929 /nfs/dbraw/zinc/61/59/29/941615929.db2.gz MWFRBGOUJPNUSF-NRFANRHFSA-N 1 3 361.493 3.549 20 0 FHADHO Cc1ccccc1-c1cccc(C[N@H+]2CCC[C@H](n3cc(CN)nn3)C2)c1 ZINC000415127393 941615932 /nfs/dbraw/zinc/61/59/32/941615932.db2.gz MWFRBGOUJPNUSF-NRFANRHFSA-N 1 3 361.493 3.549 20 0 FHADHO [NH3+]C1(CNCc2cc(Cl)ccc2F)CCN(Cc2ccccc2)CC1 ZINC000415124909 941620601 /nfs/dbraw/zinc/62/06/01/941620601.db2.gz DASFLQKJCZUBMV-UHFFFAOYSA-N 1 3 361.892 3.562 20 0 FHADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(CN3CCCCC3)c2)C[C@@H]1C ZINC000413505575 941868150 /nfs/dbraw/zinc/86/81/50/941868150.db2.gz VBCQAQBQMYXMHY-GHTZIAJQSA-N 1 3 357.542 3.617 20 0 FHADHO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(CN3CCCCC3)c2)C[C@@H]1C ZINC000413505575 941868151 /nfs/dbraw/zinc/86/81/51/941868151.db2.gz VBCQAQBQMYXMHY-GHTZIAJQSA-N 1 3 357.542 3.617 20 0 FHADHO CN(Cc1cnc(-c2ccco2)s1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377699374 941908792 /nfs/dbraw/zinc/90/87/92/941908792.db2.gz LZVGKGVWVQOHGO-UHFFFAOYSA-N 1 3 354.479 3.899 20 0 FHADHO C[C@H]1C[C@@H](CCNCc2nc3ccccc3n2C)C[N@@H+]1Cc1ccccc1 ZINC000513543931 942004907 /nfs/dbraw/zinc/00/49/07/942004907.db2.gz BCIIBOSDGFFBEP-AZUAARDMSA-N 1 3 362.521 3.964 20 0 FHADHO C[C@H]1C[C@@H](CCNCc2nc3ccccc3n2C)C[N@H+]1Cc1ccccc1 ZINC000513543931 942004912 /nfs/dbraw/zinc/00/49/12/942004912.db2.gz BCIIBOSDGFFBEP-AZUAARDMSA-N 1 3 362.521 3.964 20 0 FHADHO COCC[NH+]1CCC(NCc2ccc(OCc3ccc(C)cc3)cc2)CC1 ZINC000237124449 942009275 /nfs/dbraw/zinc/00/92/75/942009275.db2.gz CIYRXQKIKYIFIU-UHFFFAOYSA-N 1 3 368.521 3.774 20 0 FHADHO CC[NH2+]Cc1cccc(NC(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)c1 ZINC000415911904 942146033 /nfs/dbraw/zinc/14/60/33/942146033.db2.gz ZFJGOLLOPQBJLZ-FQEVSTJZSA-N 1 3 354.498 3.529 20 0 FHADHO Cc1cccc(O[C@@H]2CCCC[C@H]2[NH2+]CCCN2CCN(C(C)C)CC2)c1 ZINC000502008363 942166552 /nfs/dbraw/zinc/16/65/52/942166552.db2.gz OEPXBWJFQBCWNL-DHIUTWEWSA-N 1 3 373.585 3.691 20 0 FHADHO CC[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000415945954 942178649 /nfs/dbraw/zinc/17/86/49/942178649.db2.gz SGDNNDVQFAWGQU-YLJYHZDGSA-N 1 3 366.509 3.753 20 0 FHADHO COc1ccc2oc([C@@H](C)[NH2+]CCCN3CCN(C(C)C)CC3)c(C)c2c1 ZINC000501022899 942266714 /nfs/dbraw/zinc/26/67/14/942266714.db2.gz KNQGJCXCDQEVSU-GOSISDBHSA-N 1 3 373.541 3.817 20 0 FHADHO CCN1CCC([N@@H+]2CCCN(Cc3ccccc3C(F)(F)F)CC2)CC1 ZINC000420976399 942287323 /nfs/dbraw/zinc/28/73/23/942287323.db2.gz GYLFSAWOKJRFKA-UHFFFAOYSA-N 1 3 369.475 3.697 20 0 FHADHO CCN1CCC([N@H+]2CCCN(Cc3ccccc3C(F)(F)F)CC2)CC1 ZINC000420976399 942287328 /nfs/dbraw/zinc/28/73/28/942287328.db2.gz GYLFSAWOKJRFKA-UHFFFAOYSA-N 1 3 369.475 3.697 20 0 FHADHO CC[NH+]1CCC(N2CCCN(Cc3ccccc3C(F)(F)F)CC2)CC1 ZINC000420976399 942287330 /nfs/dbraw/zinc/28/73/30/942287330.db2.gz GYLFSAWOKJRFKA-UHFFFAOYSA-N 1 3 369.475 3.697 20 0 FHADHO CN(CC(=O)Nc1ccc(Cl)cc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501053011 942289184 /nfs/dbraw/zinc/28/91/84/942289184.db2.gz QRBXYJYYIRQYGG-UHFFFAOYSA-N 1 3 372.900 3.522 20 0 FHADHO CCC[N@H+](CCCN1CCN(C(C)C)CC1)[C@H]1CCc2ccccc2C1 ZINC000501079943 942299285 /nfs/dbraw/zinc/29/92/85/942299285.db2.gz VNQVWWOEUUMXAK-QHCPKHFHSA-N 1 3 357.586 3.672 20 0 FHADHO CCC[N@@H+](CCCN1CCN(C(C)C)CC1)[C@H]1CCc2ccccc2C1 ZINC000501079943 942299289 /nfs/dbraw/zinc/29/92/89/942299289.db2.gz VNQVWWOEUUMXAK-QHCPKHFHSA-N 1 3 357.586 3.672 20 0 FHADHO CC[NH+](CC)CCOC1CCN(C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000584556729 942300750 /nfs/dbraw/zinc/30/07/50/942300750.db2.gz REMZQOQTHGDYCA-AATRIKPKSA-N 1 3 352.469 3.801 20 0 FHADHO Cc1ncc(CN2CC[C@H]([NH2+]C3CCN(C(C)(C)C)CC3)[C@H](C)C2)s1 ZINC000378184167 942364617 /nfs/dbraw/zinc/36/46/17/942364617.db2.gz MEVYBSMFVYSSOT-BEFAXECRSA-N 1 3 364.603 3.514 20 0 FHADHO CC[NH2+]CC1CCN(Cc2cc(C)nc(-c3ccc(Cl)cc3)n2)CC1 ZINC000420289643 942606756 /nfs/dbraw/zinc/60/67/56/942606756.db2.gz KMQCMEWPHKKGBJ-UHFFFAOYSA-N 1 3 358.917 3.927 20 0 FHADHO OC1(C[NH2+]Cc2ccc3occc3c2)CCN(Cc2ccccc2)CC1 ZINC000414522949 942607807 /nfs/dbraw/zinc/60/78/07/942607807.db2.gz HMSFYOGOVMZYLX-UHFFFAOYSA-N 1 3 350.462 3.550 20 0 FHADHO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420340187 942623867 /nfs/dbraw/zinc/62/38/67/942623867.db2.gz MTDUBIPXOZSIRM-IPMKNSEASA-N 1 3 357.542 3.767 20 0 FHADHO CC1(C)C[NH2+]CC[C@@H]1NCCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000420362336 942638659 /nfs/dbraw/zinc/63/86/59/942638659.db2.gz MZUOVBYJTKJJDX-FQEVSTJZSA-N 1 3 367.493 3.785 20 0 FHADHO C[C@H](c1ccccc1Br)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420378287 942646387 /nfs/dbraw/zinc/64/63/87/942646387.db2.gz LZCCMUIPEYCLMB-BVGQSLNGSA-N 1 3 367.331 3.728 20 0 FHADHO CC[C@@H](C(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)[NH+](CC)CC)N(C)C ZINC000514077195 942729509 /nfs/dbraw/zinc/72/95/09/942729509.db2.gz MZDNSWAQRGJOGJ-IRXDYDNUSA-N 1 3 373.463 3.545 20 0 FHADHO CC[C@H](C(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)[NH+](CC)CC)N(C)C ZINC000514077194 942729707 /nfs/dbraw/zinc/72/97/07/942729707.db2.gz MZDNSWAQRGJOGJ-IAGOWNOFSA-N 1 3 373.463 3.545 20 0 FHADHO Cc1ccc(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)cc1Br ZINC000503004324 942905793 /nfs/dbraw/zinc/90/57/93/942905793.db2.gz JAGUDDSMKBSPGV-HZPDHXFCSA-N 1 3 369.347 3.737 20 0 FHADHO Cc1ccc(Cl)cc1NC(=O)C[C@H](C)N[C@H](C[NH3+])C1CCCCC1 ZINC000414856178 942997642 /nfs/dbraw/zinc/99/76/42/942997642.db2.gz YLLKJRZLPOXUIF-KBXCAEBGSA-N 1 3 351.922 3.863 20 0 FHADHO c1ccc(-c2noc([C@@H](c3ccccc3)N3CC[C@H]4C[NH2+]C[C@H]4CC3)n2)cc1 ZINC000514673381 943205225 /nfs/dbraw/zinc/20/52/25/943205225.db2.gz JHAFCWKSFCEUHF-QHAWAJNXSA-N 1 3 374.488 3.757 20 0 FHADHO C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]Cc1cccc(NC(=O)C2CCCC2)c1 ZINC000422706306 943241093 /nfs/dbraw/zinc/24/10/93/943241093.db2.gz DVCNVFGHVMSHEO-VGSWGCGISA-N 1 3 365.521 3.863 20 0 FHADHO CCOc1cc(CN[C@H](C)c2ccc(C[NH3+])nc2C)ccc1OC(F)F ZINC000422688904 943244995 /nfs/dbraw/zinc/24/49/95/943244995.db2.gz DOECXFVJNHPEGM-GFCCVEGCSA-N 1 3 365.424 3.700 20 0 FHADHO NC[C@H]1CCCC[C@@H]1[NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000422714471 943254108 /nfs/dbraw/zinc/25/41/08/943254108.db2.gz RBRBGQVWDYDEPT-APWZRJJASA-N 1 3 369.475 3.777 20 0 FHADHO CCOc1ccc(Oc2cc(CN[C@H]3CCCC[C@@H]3C[NH3+])ccn2)cc1 ZINC000422718731 943256441 /nfs/dbraw/zinc/25/64/41/943256441.db2.gz XLBLTLUYBKDWNQ-XLIONFOSSA-N 1 3 355.482 3.880 20 0 FHADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCc1ccc(Br)s1 ZINC000422723106 943258936 /nfs/dbraw/zinc/25/89/36/943258936.db2.gz ZPFLOUMVEGVQDJ-DOMZBBRYSA-N 1 3 353.329 3.601 20 0 FHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H](C)Cc1cccc(Br)c1 ZINC000422758767 943262987 /nfs/dbraw/zinc/26/29/87/943262987.db2.gz JWRCVEJOWONGLK-QWHCGFSZSA-N 1 3 362.315 3.893 20 0 FHADHO COc1ccccc1[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)N1CCCC1 ZINC000422744046 943268064 /nfs/dbraw/zinc/26/80/64/943268064.db2.gz JRAUGNUAQDXQPF-UVUJQTEASA-N 1 3 371.569 3.733 20 0 FHADHO CCn1nc(C)c(CN2CCC(C[N@H+](C)Cc3ccccc3)CC2)c1C ZINC000093006792 943269282 /nfs/dbraw/zinc/26/92/82/943269282.db2.gz CGEQUUYBGOXDAT-UHFFFAOYSA-N 1 3 354.542 3.864 20 0 FHADHO CCn1nc(C)c(CN2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c1C ZINC000093006792 943269287 /nfs/dbraw/zinc/26/92/87/943269287.db2.gz CGEQUUYBGOXDAT-UHFFFAOYSA-N 1 3 354.542 3.864 20 0 FHADHO COc1ccc(C[C@H](N[C@H]2CC[NH2+]CC[C@@H]2C)c2ccc(OC)cc2)cc1 ZINC000422762621 943284104 /nfs/dbraw/zinc/28/41/04/943284104.db2.gz ILNUPFBAWAEYBG-RTFZILSDSA-N 1 3 368.521 3.965 20 0 FHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCc1csc(-c2ccccc2)n1 ZINC000422795246 943285652 /nfs/dbraw/zinc/28/56/52/943285652.db2.gz ZXZZXDWGPYSPQZ-CQSZACIVSA-N 1 3 352.507 3.866 20 0 FHADHO CCN(CC)[C@H](CN[C@@H]1C[C@H]([NH3+])c2ccccc21)c1cccc(OC)c1 ZINC000422797153 943286631 /nfs/dbraw/zinc/28/66/31/943286631.db2.gz LEPZGNRPKQKWLY-BHDDXSALSA-N 1 3 353.510 3.813 20 0 FHADHO Cc1nc(C[NH3+])ccc1[C@@H](C)NCc1ccc(COCC(F)(F)F)cc1 ZINC000422811117 943291668 /nfs/dbraw/zinc/29/16/68/943291668.db2.gz OLGPLOQNNCCTFK-CYBMUJFWSA-N 1 3 367.415 3.778 20 0 FHADHO C[C@H](NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1)c1cnccc1N ZINC000422880445 943315090 /nfs/dbraw/zinc/31/50/90/943315090.db2.gz LWVMFCVGOJSVRW-KURKYZTESA-N 1 3 352.526 3.823 20 0 FHADHO C[C@@H](NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1)c1cnccc1N ZINC000422889988 943319591 /nfs/dbraw/zinc/31/95/91/943319591.db2.gz HECBQSXPRGKIAD-KZNAEPCWSA-N 1 3 352.526 3.823 20 0 FHADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCc1nc2ccccc2n1C(F)F ZINC000422911197 943328260 /nfs/dbraw/zinc/32/82/60/943328260.db2.gz KHCBYRLWSMJXFO-CABCVRRESA-N 1 3 350.457 3.874 20 0 FHADHO CC(C)(CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)c1c(F)cccc1Cl ZINC000422916846 943330271 /nfs/dbraw/zinc/33/02/71/943330271.db2.gz BQXAAXKXGSDOKM-XOKHGSTOSA-N 1 3 354.897 3.503 20 0 FHADHO COC[C@H](CCC[NH3+])NCc1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000422944258 943344757 /nfs/dbraw/zinc/34/47/57/943344757.db2.gz LEVLLIDGQIMODD-HNNXBMFYSA-N 1 3 353.919 3.615 20 0 FHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCOc1ccccc1C(F)(F)F ZINC000422951793 943347322 /nfs/dbraw/zinc/34/73/22/943347322.db2.gz AERPWOHVVAFTRR-LBPRGKRZSA-N 1 3 353.388 3.597 20 0 FHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCCOc1cccc2cccnc21 ZINC000422952406 943347665 /nfs/dbraw/zinc/34/76/65/943347665.db2.gz AZKRFTAFFFWYIC-HNNXBMFYSA-N 1 3 350.466 3.517 20 0 FHADHO c1cc(CN2CCSCC2)cc(N[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000422957658 943350034 /nfs/dbraw/zinc/35/00/34/943350034.db2.gz USUWDLWTOORVKU-PWRODBHTSA-N 1 3 359.583 3.958 20 0 FHADHO CN(Cc1ccco1)Cc1ccccc1CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423003289 943361520 /nfs/dbraw/zinc/36/15/20/943361520.db2.gz HHFBAHLYJCOTLU-RJGXRXQPSA-N 1 3 367.537 3.922 20 0 FHADHO CCN(CC)[C@H](CNC(=O)C[C@@H](c1ccccc1)[NH+](C)C)c1ccsc1 ZINC000431923794 943365250 /nfs/dbraw/zinc/36/52/50/943365250.db2.gz OADPNQPUSTVZDH-VQTJNVASSA-N 1 3 373.566 3.940 20 0 FHADHO CC[NH2+]CC1CCN(Cc2c(C)nn(-c3ccc(F)cc3F)c2C)CC1 ZINC000435371952 943365395 /nfs/dbraw/zinc/36/53/95/943365395.db2.gz PEWFQXSOOCDRQR-UHFFFAOYSA-N 1 3 362.468 3.589 20 0 FHADHO C[C@@H](N[C@@H](C)C[C@H]1COCC[NH2+]1)c1ccccc1OCc1ccccc1 ZINC000423019552 943366729 /nfs/dbraw/zinc/36/67/29/943366729.db2.gz WDZAPDOIBVDDLP-NSHGMRRFSA-N 1 3 354.494 3.683 20 0 FHADHO CN1CC[C@H](C[NH2+][C@@H]2CCCCC[C@@H]2N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423022946 943369496 /nfs/dbraw/zinc/36/94/96/943369496.db2.gz ISHIISYELWPADL-FDPIWHGQSA-N 1 3 353.913 3.722 20 0 FHADHO CN1CC[C@H](CN[C@@H]2CCCCC[C@@H]2[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423022946 943369503 /nfs/dbraw/zinc/36/95/03/943369503.db2.gz ISHIISYELWPADL-FDPIWHGQSA-N 1 3 353.913 3.722 20 0 FHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000423051465 943383789 /nfs/dbraw/zinc/38/37/89/943383789.db2.gz NJWHZWXYEOGROO-ZLGUVYLKSA-N 1 3 353.510 3.883 20 0 FHADHO CC(C)Oc1ccc([C@H](CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)N(C)C)cc1 ZINC000423122571 943397514 /nfs/dbraw/zinc/39/75/14/943397514.db2.gz KAIPUXBCPBOAKT-MBDNFAEBSA-N 1 3 359.558 3.587 20 0 FHADHO CCc1nc2cc(CN[C@H](C)c3ccc(C[NH3+])nc3C)ccc2n1C1CC1 ZINC000423109495 943403407 /nfs/dbraw/zinc/40/34/07/943403407.db2.gz HHLZKCIFICXSFX-CQSZACIVSA-N 1 3 363.509 3.947 20 0 FHADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000423139868 943417179 /nfs/dbraw/zinc/41/71/79/943417179.db2.gz WSPRPUNDGJIXMD-KBPBESRZSA-N 1 3 353.445 3.585 20 0 FHADHO CC(C)[NH+](CCN(C)C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1)C(C)C ZINC000503986614 943442879 /nfs/dbraw/zinc/44/28/79/943442879.db2.gz LWGIGDASHQAIQE-PZJWPPBQSA-N 1 3 374.573 3.582 20 0 FHADHO CC(C)N(CC(=O)Nc1ccccc1C(F)(F)F)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414727424 943457357 /nfs/dbraw/zinc/45/73/57/943457357.db2.gz BCMZHDJBPSMHFG-LSDHHAIUSA-N 1 3 371.447 3.742 20 0 FHADHO Cc1c([C@H](C)[NH2+][C@@H](CN)C2CC2)cnn1-c1ccc(Cl)cc1Cl ZINC000423284856 943464051 /nfs/dbraw/zinc/46/40/51/943464051.db2.gz XGYYYAYXNWIIDT-QFYYESIMSA-N 1 3 353.297 3.875 20 0 FHADHO CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414733822 943482001 /nfs/dbraw/zinc/48/20/01/943482001.db2.gz KGSOCUWSMFLBTP-KBPBESRZSA-N 1 3 362.905 3.589 20 0 FHADHO CCN(CC(=O)Nc1c(Cl)cccc1Cl)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414736214 943485654 /nfs/dbraw/zinc/48/56/54/943485654.db2.gz MUHSBEHYAJCHTJ-STQMWFEESA-N 1 3 358.313 3.642 20 0 FHADHO C[C@H](CCCc1cccnc1)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000423369833 943493869 /nfs/dbraw/zinc/49/38/69/943493869.db2.gz OXLNQQPFUQCIGU-FPDPHYFHSA-N 1 3 359.464 3.806 20 0 FHADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@H]2NCCc3ccccc32)CC1 ZINC000423419652 943504034 /nfs/dbraw/zinc/50/40/34/943504034.db2.gz IUCNHTVOZJMKGA-YADARESESA-N 1 3 363.549 3.559 20 0 FHADHO COC[C@]1(C[NH2+][C@@H]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)CCCN1 ZINC000423420454 943505163 /nfs/dbraw/zinc/50/51/63/943505163.db2.gz XEACYTAVPHAHGQ-KBAYOESNSA-N 1 3 356.432 3.700 20 0 FHADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](NC[C@@H]2NCCc4ccccc42)C3)cc1 ZINC000423437884 943519192 /nfs/dbraw/zinc/51/91/92/943519192.db2.gz ULNWMWYRAUIOHG-YCSHWKNNSA-N 1 3 361.533 3.659 20 0 FHADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](NC[C@@H]2NCCc4ccccc42)C3)cc1 ZINC000423437884 943519194 /nfs/dbraw/zinc/51/91/94/943519194.db2.gz ULNWMWYRAUIOHG-YCSHWKNNSA-N 1 3 361.533 3.659 20 0 FHADHO CCc1ccccc1[C@@H]([NH3+])CN[C@H](CCn1cncn1)c1ccc(C)cc1 ZINC000423499295 943529431 /nfs/dbraw/zinc/52/94/31/943529431.db2.gz JJMSOIFURDWXCQ-FCHUYYIVSA-N 1 3 363.509 3.570 20 0 FHADHO COc1ccc([C@H](C)[C@@H](C)[NH2+]CC2(N)C3CC4CC(C3)CC2C4)cc1OC ZINC000423516060 943543348 /nfs/dbraw/zinc/54/33/48/943543348.db2.gz ANPPKSMFXWTTJK-JPZIPOIESA-N 1 3 372.553 3.939 20 0 FHADHO C[C@@H](NCC1([NH3+])CCN(Cc2ccccc2)CC1)c1ccc(F)cc1F ZINC000423580691 943563586 /nfs/dbraw/zinc/56/35/86/943563586.db2.gz YDCDANJNUITVJX-MRXNPFEDSA-N 1 3 359.464 3.609 20 0 FHADHO CCOc1c(Cl)cc(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1OC ZINC000414773977 943729717 /nfs/dbraw/zinc/72/97/17/943729717.db2.gz FAOCPYWZMOYLMY-JKSUJKDBSA-N 1 3 352.906 3.569 20 0 FHADHO CC(C)(C)c1ccc([C@H]2CCCN2C(=O)C[NH2+][C@@H]2CCCC[C@H]2N)cc1 ZINC000424330481 943847014 /nfs/dbraw/zinc/84/70/14/943847014.db2.gz IDEANTMUYGTKPJ-VAMGGRTRSA-N 1 3 357.542 3.507 20 0 FHADHO CC(C)N1CC[C@H]([NH2+]CC[C@@H]2CCCCN2C)[C@@H]1c1ccc(F)c(F)c1 ZINC000549478071 943847086 /nfs/dbraw/zinc/84/70/86/943847086.db2.gz OUKXTYJRDRTHPS-YYWHXJBOSA-N 1 3 365.512 3.953 20 0 FHADHO CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@@H]2CCCC[C@H]2N)cc1 ZINC000424330480 943847571 /nfs/dbraw/zinc/84/75/71/943847571.db2.gz IDEANTMUYGTKPJ-AQNXPRMDSA-N 1 3 357.542 3.507 20 0 FHADHO COc1cccc(-c2nc(CN3CC4(C[C@H]3C)CC[NH2+]CC4)cs2)c1 ZINC000424301922 943851332 /nfs/dbraw/zinc/85/13/32/943851332.db2.gz YIBPAYSPRIJIKQ-OAHLLOKOSA-N 1 3 357.523 3.783 20 0 FHADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(Cc2ccccc2C(=O)N(C)C)CC1 ZINC000417779305 943876749 /nfs/dbraw/zinc/87/67/49/943876749.db2.gz GSHJYMXMBSNOQP-LJQANCHMSA-N 1 3 371.569 3.865 20 0 FHADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(Cc2ccccc2C(=O)N(C)C)CC1 ZINC000417779305 943876756 /nfs/dbraw/zinc/87/67/56/943876756.db2.gz GSHJYMXMBSNOQP-LJQANCHMSA-N 1 3 371.569 3.865 20 0 FHADHO [NH3+]C[C@@H]1CN(Cc2ccc(-c3ccccc3F)s2)CC12CCOCC2 ZINC000414791804 943944583 /nfs/dbraw/zinc/94/45/83/943944583.db2.gz RCQORAPUWORSQD-OAHLLOKOSA-N 1 3 360.498 3.742 20 0 FHADHO CCCC[C@H](C[NH3+])NC1CCN(Cc2ccccc2Br)CC1 ZINC000414812739 944108368 /nfs/dbraw/zinc/10/83/68/944108368.db2.gz LKPFBUSOMAGASV-QGZVFWFLSA-N 1 3 368.363 3.521 20 0 FHADHO CC(C)N1CCN(CCC[N@H+](C2CC2)[C@@H]2CCCc3ccccc32)CC1 ZINC000500140610 944162063 /nfs/dbraw/zinc/16/20/63/944162063.db2.gz QYIFAEJACVHAFC-HSZRJFAPSA-N 1 3 355.570 3.945 20 0 FHADHO CC(C)N1CCN(CCC[N@@H+](C2CC2)[C@@H]2CCCc3ccccc32)CC1 ZINC000500140610 944162066 /nfs/dbraw/zinc/16/20/66/944162066.db2.gz QYIFAEJACVHAFC-HSZRJFAPSA-N 1 3 355.570 3.945 20 0 FHADHO C[C@H]1SCCN(Cc2cncc(C[N@@H+]3CCS[C@@H](C)[C@@H]3C)c2)[C@@H]1C ZINC000515772310 944196277 /nfs/dbraw/zinc/19/62/77/944196277.db2.gz WOUXMKZVNCETEW-WNKDZCFJSA-N 1 3 365.612 3.733 20 0 FHADHO C[C@H]1SCCN(Cc2cncc(C[N@H+]3CCS[C@@H](C)[C@@H]3C)c2)[C@@H]1C ZINC000515772310 944196281 /nfs/dbraw/zinc/19/62/81/944196281.db2.gz WOUXMKZVNCETEW-WNKDZCFJSA-N 1 3 365.612 3.733 20 0 FHADHO C[C@H]1SCC[N@@H+](Cc2cncc(CN3CCS[C@@H](C)[C@@H]3C)c2)[C@@H]1C ZINC000515772310 944196287 /nfs/dbraw/zinc/19/62/87/944196287.db2.gz WOUXMKZVNCETEW-WNKDZCFJSA-N 1 3 365.612 3.733 20 0 FHADHO C[C@H]1SCC[N@H+](Cc2cncc(CN3CCS[C@@H](C)[C@@H]3C)c2)[C@@H]1C ZINC000515772310 944196291 /nfs/dbraw/zinc/19/62/91/944196291.db2.gz WOUXMKZVNCETEW-WNKDZCFJSA-N 1 3 365.612 3.733 20 0 FHADHO CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CCN(C)CC[C@@H]2C)c1 ZINC000473731183 944317612 /nfs/dbraw/zinc/31/76/12/944317612.db2.gz DRUZWDCYZCKYMZ-IBGZPJMESA-N 1 3 374.573 3.544 20 0 FHADHO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CCN(C)CC[C@@H]2C)c1 ZINC000473731183 944317621 /nfs/dbraw/zinc/31/76/21/944317621.db2.gz DRUZWDCYZCKYMZ-IBGZPJMESA-N 1 3 374.573 3.544 20 0 FHADHO [NH3+][C@@H]1CCC[C@@H](NCc2ccc(Br)cc2C(F)(F)F)C1 ZINC000414921405 944324601 /nfs/dbraw/zinc/32/46/01/944324601.db2.gz FOANVRZBWJANDK-VXGBXAGGSA-N 1 3 351.210 3.827 20 0 FHADHO CC1(C)CN(Cc2cccnc2N)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664834970 944339496 /nfs/dbraw/zinc/33/94/96/944339496.db2.gz APFYEWQAAQMOFA-OAQYLSRUSA-N 1 3 364.537 3.786 20 0 FHADHO CC(C)N1CCN(C2CC[NH+]([C@H]3CC[C@@](C)(c4ccccc4)C3)CC2)CC1 ZINC000438108192 944346388 /nfs/dbraw/zinc/34/63/88/944346388.db2.gz XZRWKZXGROVBGO-BJKOFHAPSA-N 1 3 369.597 3.987 20 0 FHADHO O=c1c(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cccn1C(F)F ZINC000638598520 944428328 /nfs/dbraw/zinc/42/83/28/944428328.db2.gz FZXXXPIEWBVNDW-YQQQUEKLSA-N 1 3 373.447 3.529 20 0 FHADHO CC[C@H](N)C[NH2+][C@@H](C)COc1ccc2cc(Br)ccc2c1 ZINC000414994238 944521843 /nfs/dbraw/zinc/52/18/43/944521843.db2.gz UPAHVLWLGQELQC-LRDDRELGSA-N 1 3 351.288 3.697 20 0 FHADHO CC(C)c1nnc(CC[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)s1 ZINC000426350342 944528712 /nfs/dbraw/zinc/52/87/12/944528712.db2.gz HMBKTVNYMBGUQD-FUHWJXTLSA-N 1 3 358.555 3.704 20 0 FHADHO CC(C)c1nnc(CCN[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000426350342 944528722 /nfs/dbraw/zinc/52/87/22/944528722.db2.gz HMBKTVNYMBGUQD-FUHWJXTLSA-N 1 3 358.555 3.704 20 0 FHADHO CC(C)c1nnc(CCN[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000426350342 944528731 /nfs/dbraw/zinc/52/87/31/944528731.db2.gz HMBKTVNYMBGUQD-FUHWJXTLSA-N 1 3 358.555 3.704 20 0 FHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@H]1OCCc2ccccc21 ZINC000398156362 944529937 /nfs/dbraw/zinc/52/99/37/944529937.db2.gz QUYWCLKWRYURLN-YFXJRYMSSA-N 1 3 350.506 3.801 20 0 FHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@H]1OCCc2ccccc21 ZINC000398156362 944529941 /nfs/dbraw/zinc/52/99/41/944529941.db2.gz QUYWCLKWRYURLN-YFXJRYMSSA-N 1 3 350.506 3.801 20 0 FHADHO CCCC[N@H+](C)CC1CCN(C[C@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000759846405 944537073 /nfs/dbraw/zinc/53/70/73/944537073.db2.gz XKNXLJIROCQEAB-IBGZPJMESA-N 1 3 356.913 3.956 20 0 FHADHO CCCC[N@@H+](C)CC1CCN(C[C@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000759846405 944537080 /nfs/dbraw/zinc/53/70/80/944537080.db2.gz XKNXLJIROCQEAB-IBGZPJMESA-N 1 3 356.913 3.956 20 0 FHADHO Cc1cc(OC[C@H](O)CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(C(C)C)cc1Cl ZINC000516175892 944559821 /nfs/dbraw/zinc/55/98/21/944559821.db2.gz XDJDTFUZXQKYMN-GVDBMIGSSA-N 1 3 368.949 3.584 20 0 FHADHO Cc1cc(OC[C@H](O)CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(C(C)C)cc1Cl ZINC000516175892 944559823 /nfs/dbraw/zinc/55/98/23/944559823.db2.gz XDJDTFUZXQKYMN-GVDBMIGSSA-N 1 3 368.949 3.584 20 0 FHADHO COc1ccc([C@H](C)[NH2+]CCCOC(F)F)cc1CN1CCCCC1 ZINC000194030605 944595647 /nfs/dbraw/zinc/59/56/47/944595647.db2.gz ZMIVTAMSXYJZNS-HNNXBMFYSA-N 1 3 356.457 3.961 20 0 FHADHO COc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)ccc1OCC(F)(F)F ZINC000608065538 944597730 /nfs/dbraw/zinc/59/77/30/944597730.db2.gz DFTMSHCJMUHFGS-MQVJKMGUSA-N 1 3 372.431 3.741 20 0 FHADHO CCN1CCN(c2ccccc2C[N@H+](C)Cc2cccc3[nH]ccc32)CC1 ZINC000426382151 944620733 /nfs/dbraw/zinc/62/07/33/944620733.db2.gz YNYONAQIERGFMJ-UHFFFAOYSA-N 1 3 362.521 3.942 20 0 FHADHO CCN1CCN(c2ccccc2C[N@@H+](C)Cc2cccc3[nH]ccc32)CC1 ZINC000426382151 944620737 /nfs/dbraw/zinc/62/07/37/944620737.db2.gz YNYONAQIERGFMJ-UHFFFAOYSA-N 1 3 362.521 3.942 20 0 FHADHO C/C(=C\c1ccccc1C(F)(F)F)CNCCC[NH+]1CCC(O)CC1 ZINC000500383551 944698146 /nfs/dbraw/zinc/69/81/46/944698146.db2.gz KGBDEHIKAZCGDB-FYWRMAATSA-N 1 3 356.432 3.545 20 0 FHADHO CC1CC[NH+](CCCCNC(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000517883134 944767559 /nfs/dbraw/zinc/76/75/59/944767559.db2.gz GARJDSVJJCRJSE-UHFFFAOYSA-N 1 3 357.542 3.524 20 0 FHADHO C[NH+](C)CCCOc1ccc(CN[C@H](c2cncc(F)c2)C2CC2)cc1 ZINC000281307336 945585467 /nfs/dbraw/zinc/58/54/67/945585467.db2.gz RQDVAOUNXBTHRT-NRFANRHFSA-N 1 3 357.473 3.792 20 0 FHADHO CN(C)Cc1cccc(NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000044291971 945586009 /nfs/dbraw/zinc/58/60/09/945586009.db2.gz GECUPVRPUSSXHC-NRFANRHFSA-N 1 3 366.509 3.707 20 0 FHADHO CCSc1cc(CN[C@@H](C)c2cccc(OCC[NH+](C)C)c2)ccn1 ZINC000187796922 945598249 /nfs/dbraw/zinc/59/82/49/945598249.db2.gz MVWIIGWNSBWZSR-INIZCTEOSA-N 1 3 359.539 3.985 20 0 FHADHO CSC1(CNCc2cc(Cl)ccc2OC(F)F)CC[NH+](C)CC1 ZINC000519674332 945624768 /nfs/dbraw/zinc/62/47/68/945624768.db2.gz TUZNZMHWOLBUOT-UHFFFAOYSA-N 1 3 364.889 3.858 20 0 FHADHO C[C@@H]1C[C@H]([NH2+]Cc2cc(C(F)(F)F)n[nH]2)CCN1Cc1ccccc1 ZINC000440614181 945710648 /nfs/dbraw/zinc/71/06/48/945710648.db2.gz MRMRKSZSFJIETF-UKRRQHHQSA-N 1 3 352.404 3.571 20 0 FHADHO CCCN1CCC[C@@H]1C(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000522891768 946064538 /nfs/dbraw/zinc/06/45/38/946064538.db2.gz HWLOVPKQKVEFIS-WOIUINJBSA-N 1 3 371.569 3.655 20 0 FHADHO CN1CCN(CC[NH2+]Cc2ccc(-c3ccc(F)cc3)s2)CC1(C)C ZINC000441355440 946472269 /nfs/dbraw/zinc/47/22/69/946472269.db2.gz JRGWPQRBEQVTTA-UHFFFAOYSA-N 1 3 361.530 3.670 20 0 FHADHO CN1CCC[C@H]1CC[NH2+]C1(c2cccc(Br)c2)CCOCC1 ZINC000536266573 946663350 /nfs/dbraw/zinc/66/33/50/946663350.db2.gz HVYXXVYLSXIDFU-KRWDZBQOSA-N 1 3 367.331 3.529 20 0 FHADHO CCCN1CCN(c2ccccc2C[NH2+]CC2(C)CCC(OC)CC2)CC1 ZINC000475209847 946726504 /nfs/dbraw/zinc/72/65/04/946726504.db2.gz NHFKOFCQVXHOGJ-UHFFFAOYSA-N 1 3 373.585 3.904 20 0 FHADHO Cn1cc(C[NH2+]C2CC(N3CCCCC3)C2)c(-c2ccccc2Cl)n1 ZINC000475576435 946726416 /nfs/dbraw/zinc/72/64/16/946726416.db2.gz WWXAMPYUMUFZMD-UHFFFAOYSA-N 1 3 358.917 3.847 20 0 FHADHO Cc1cc(C[NH+](C)C)ccc1NC(=O)C(C[C@H]1CCCO1)C(F)(F)F ZINC000909598649 946740592 /nfs/dbraw/zinc/74/05/92/946740592.db2.gz CPTGSSRXMDIGDE-CABCVRRESA-N 1 3 358.404 3.743 20 0 FHADHO Cc1nn(C(C)(C)C)c(C)c1C[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000475279021 946800340 /nfs/dbraw/zinc/80/03/40/946800340.db2.gz IXKMPZFKPRCEQF-HXUWFJFHSA-N 1 3 354.542 3.867 20 0 FHADHO C[C@H](c1ncc(-c2ccccc2)o1)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652349623 946890324 /nfs/dbraw/zinc/89/03/24/946890324.db2.gz VWEGSEIOUWECAQ-XGXHKWSGSA-N 1 3 355.482 3.621 20 0 FHADHO CC(C)[N@H+](CCNC(=O)OC(C)(C)C)C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167994968 946892152 /nfs/dbraw/zinc/89/21/52/946892152.db2.gz RTVJELSINYPSHB-DFNIBXOVSA-N 1 3 365.562 3.627 20 0 FHADHO CC(C)[N@@H+](CCNC(=O)OC(C)(C)C)C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167994968 946892163 /nfs/dbraw/zinc/89/21/63/946892163.db2.gz RTVJELSINYPSHB-DFNIBXOVSA-N 1 3 365.562 3.627 20 0 FHADHO Cc1nn(-c2cc(C)ccc2C)c(Cl)c1CNCC1CC[NH+](C)CC1 ZINC000237161051 946925189 /nfs/dbraw/zinc/92/51/89/946925189.db2.gz ZJMBKRPJCKSLRN-UHFFFAOYSA-N 1 3 360.933 3.882 20 0 FHADHO C[C@@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824956571 947005795 /nfs/dbraw/zinc/00/57/95/947005795.db2.gz STCLOAVQXVGJFV-PBPGXSGUSA-N 1 3 368.529 3.560 20 0 FHADHO C[C@@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824956571 947005809 /nfs/dbraw/zinc/00/58/09/947005809.db2.gz STCLOAVQXVGJFV-PBPGXSGUSA-N 1 3 368.529 3.560 20 0 FHADHO COc1cc(C[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)cc(Cl)c1OC ZINC000192924191 947105093 /nfs/dbraw/zinc/10/50/93/947105093.db2.gz IRYZBBYKLPKZOI-QGZVFWFLSA-N 1 3 374.912 3.969 20 0 FHADHO CC[C@@H](c1ccccc1)N(CC(=O)NC1CC[NH+](C(C)C)CC1)C(C)C ZINC000662108203 947287512 /nfs/dbraw/zinc/28/75/12/947287512.db2.gz KICQTLCXFJVEFC-NRFANRHFSA-N 1 3 359.558 3.837 20 0 FHADHO C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccccc1N(C)C ZINC000248458056 947288894 /nfs/dbraw/zinc/28/88/94/947288894.db2.gz UIWYNXUTNIOEGN-NQIIRXRSSA-N 1 3 367.537 3.560 20 0 FHADHO C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccccc1N(C)C ZINC000248458056 947288898 /nfs/dbraw/zinc/28/88/98/947288898.db2.gz UIWYNXUTNIOEGN-NQIIRXRSSA-N 1 3 367.537 3.560 20 0 FHADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc(CN2CCCC2)c1 ZINC000523829244 947646673 /nfs/dbraw/zinc/64/66/73/947646673.db2.gz WPTTXKHNVCHSSZ-OAQYLSRUSA-N 1 3 357.542 3.667 20 0 FHADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1cccc(CN2CCCC2)c1 ZINC000523829244 947646677 /nfs/dbraw/zinc/64/66/77/947646677.db2.gz WPTTXKHNVCHSSZ-OAQYLSRUSA-N 1 3 357.542 3.667 20 0 FHADHO Cc1ccc(CNC[C@H]2CCC[N@H+](CC3CC3)C2)c(-c2ccnn2C)c1 ZINC000663344105 947807070 /nfs/dbraw/zinc/80/70/70/947807070.db2.gz OGKHDRDIHQRRHQ-LJQANCHMSA-N 1 3 352.526 3.607 20 0 FHADHO Cc1ccc(CNC[C@H]2CCC[N@@H+](CC3CC3)C2)c(-c2ccnn2C)c1 ZINC000663344105 947807073 /nfs/dbraw/zinc/80/70/73/947807073.db2.gz OGKHDRDIHQRRHQ-LJQANCHMSA-N 1 3 352.526 3.607 20 0 FHADHO CCCNC(=O)C1(NCc2cccc(C[NH+]3CCCCC3)c2)CCCCC1 ZINC001167803648 947914511 /nfs/dbraw/zinc/91/45/11/947914511.db2.gz BTDBLZDFUSNYSO-UHFFFAOYSA-N 1 3 371.569 3.991 20 0 FHADHO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CNCCC2(F)F)c2cccc(Br)c21 ZINC000925780780 948096134 /nfs/dbraw/zinc/09/61/34/948096134.db2.gz GPRLMSLVZVUILU-JTNHKYCSSA-N 1 3 359.258 3.832 20 0 FHADHO C[C@@H]1C[N@H+](CCCN[C@H]2CCc3cc(Br)ccc32)CCCO1 ZINC000432422053 948384119 /nfs/dbraw/zinc/38/41/19/948384119.db2.gz CFXFAZBMILDJQA-KDOFPFPSSA-N 1 3 367.331 3.527 20 0 FHADHO C[C@@H]1C[N@@H+](CCCN[C@H]2CCc3cc(Br)ccc32)CCCO1 ZINC000432422053 948384129 /nfs/dbraw/zinc/38/41/29/948384129.db2.gz CFXFAZBMILDJQA-KDOFPFPSSA-N 1 3 367.331 3.527 20 0 FHADHO C[C@@H]1C[N@@H+](CC2CCN(Cc3cc4cc(F)ccc4o3)CC2)C[C@H](C)O1 ZINC000512182839 948710583 /nfs/dbraw/zinc/71/05/83/948710583.db2.gz SYNAHFROFROEBM-IYBDPMFKSA-N 1 3 360.473 3.893 20 0 FHADHO C[C@@H]1C[N@H+](CC2CCN(Cc3cc4cc(F)ccc4o3)CC2)C[C@H](C)O1 ZINC000512182839 948710590 /nfs/dbraw/zinc/71/05/90/948710590.db2.gz SYNAHFROFROEBM-IYBDPMFKSA-N 1 3 360.473 3.893 20 0 FHADHO CC[NH+](CC)Cc1cccc(CN[C@H]2CCCN(c3ccccc3)C2=O)c1 ZINC000604412793 568277550 /nfs/dbraw/zinc/27/75/50/568277550.db2.gz JELOFTIRXMREKH-QFIPXVFZSA-N 1 3 365.521 3.814 20 0 FHADHO C[C@@H](Cc1ccc(F)cc1Br)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643547181 927458825 /nfs/dbraw/zinc/45/88/25/927458825.db2.gz AQQZJAFYNLQNNA-WFASDCNBSA-N 1 3 355.295 3.784 20 0 FHADHO C[C@@H](Cc1ccc(F)cc1Br)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643547181 927458832 /nfs/dbraw/zinc/45/88/32/927458832.db2.gz AQQZJAFYNLQNNA-WFASDCNBSA-N 1 3 355.295 3.784 20 0 FHADHO COc1ccc(-c2ccncc2)cc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C ZINC000274781139 928273411 /nfs/dbraw/zinc/27/34/11/928273411.db2.gz KQAUJEIUKZXNMR-SEJPIABJSA-N 1 3 351.494 3.862 20 0 FHADHO C[C@H](c1ccccc1)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000471170838 928505255 /nfs/dbraw/zinc/50/52/55/928505255.db2.gz UFTKRMMNQUIJAF-LJQANCHMSA-N 1 3 353.510 3.510 20 0 FHADHO CCN1CCN([C@H](C)C[NH2+][C@H](c2ccccc2)c2ccc(C)cc2)CC1 ZINC000180119265 929380462 /nfs/dbraw/zinc/38/04/62/929380462.db2.gz UDJSIRIIMLTSRF-NFBKMPQASA-N 1 3 351.538 3.700 20 0 FHADHO CC(C)[N@H+](C)Cc1ccccc1CN[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000154882408 929448374 /nfs/dbraw/zinc/44/83/74/929448374.db2.gz MYOZYXIOLPIAET-SFHVURJKSA-N 1 3 363.509 3.958 20 0 FHADHO CC(C)[N@@H+](C)Cc1ccccc1CN[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000154882408 929448377 /nfs/dbraw/zinc/44/83/77/929448377.db2.gz MYOZYXIOLPIAET-SFHVURJKSA-N 1 3 363.509 3.958 20 0 FHADHO C[C@H](C[NH2+]C1CCN(CCc2ccc(F)cc2)CC1)N1CCC[C@H](C)C1 ZINC000580113809 930258113 /nfs/dbraw/zinc/25/81/13/930258113.db2.gz YCGLPOZPVDSECX-RBUKOAKNSA-N 1 3 361.549 3.543 20 0 FHADHO C[C@H](NCCOCC[NH+](C)C)c1ccc2ccccc2c1OC(F)F ZINC000580280099 930433166 /nfs/dbraw/zinc/43/31/66/930433166.db2.gz YHPRWNAPZJRUNB-AWEZNQCLSA-N 1 3 352.425 3.670 20 0 FHADHO CSC1(CN[C@H](c2ccc(F)cc2)c2cccnc2)CC[NH+](C)CC1 ZINC000564433259 930927906 /nfs/dbraw/zinc/92/79/06/930927906.db2.gz AUHYUBXLEPMDGA-LJQANCHMSA-N 1 3 359.514 3.727 20 0 FHADHO Cn1cc2c(n1)CCC[C@H]2[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000581458114 932090721 /nfs/dbraw/zinc/09/07/21/932090721.db2.gz BUFMTWWHFJHMHJ-PZJWPPBQSA-N 1 3 352.526 3.689 20 0 FHADHO C[C@H](N)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000430621871 932356898 /nfs/dbraw/zinc/35/68/98/932356898.db2.gz KSNWIHVQVYBVLF-UWJYYQICSA-N 1 3 351.494 3.884 20 0 FHADHO C[C@H](N)[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000430621871 932356907 /nfs/dbraw/zinc/35/69/07/932356907.db2.gz KSNWIHVQVYBVLF-UWJYYQICSA-N 1 3 351.494 3.884 20 0 FHADHO Cc1cccc(CNCc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)c1 ZINC000076399935 932377365 /nfs/dbraw/zinc/37/73/65/932377365.db2.gz PAPQEAYZXUDICG-UHFFFAOYSA-N 1 3 368.521 3.774 20 0 FHADHO Cc1cccc(CNCc2cccc(OCC[N@H+](C)C3CCOCC3)c2)c1 ZINC000076399935 932377370 /nfs/dbraw/zinc/37/73/70/932377370.db2.gz PAPQEAYZXUDICG-UHFFFAOYSA-N 1 3 368.521 3.774 20 0 FHADHO C[C@@H]1[C@H](C(F)(F)F)CCN1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000684411340 932588298 /nfs/dbraw/zinc/58/82/98/932588298.db2.gz KECLYCQEFZIMSS-CRAIPNDOSA-N 1 3 356.432 3.934 20 0 FHADHO CC(C)N(CC(=O)Nc1ccccc1C(F)(F)F)CC1CC[NH+](C)CC1 ZINC000891486958 932640460 /nfs/dbraw/zinc/64/04/60/932640460.db2.gz QBFSVPPLYCNKHM-UHFFFAOYSA-N 1 3 371.447 3.696 20 0 FHADHO C[C@@H]1C[C@H](NCCN2CCc3sccc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000581844106 932731686 /nfs/dbraw/zinc/73/16/86/932731686.db2.gz UURGNVIYDKLYKP-WIYYLYMNSA-N 1 3 369.578 3.749 20 0 FHADHO C[C@@H]1C[C@H](NCCN2CCc3sccc3C2)CC[N@H+]1Cc1ccccc1 ZINC000581844106 932731689 /nfs/dbraw/zinc/73/16/89/932731689.db2.gz UURGNVIYDKLYKP-WIYYLYMNSA-N 1 3 369.578 3.749 20 0 FHADHO COC(=O)c1csc(-c2cccc(C[NH2+]C3CCN(C(C)C)CC3)c2)n1 ZINC000276616517 932808183 /nfs/dbraw/zinc/80/81/83/932808183.db2.gz DCKOKOXFYSIVCC-UHFFFAOYSA-N 1 3 373.522 3.559 20 0 FHADHO CC(C)Cn1nccc1C[NH2+]C1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000647192678 932883156 /nfs/dbraw/zinc/88/31/56/932883156.db2.gz SIBULAXLQZQTNR-OALUTQOASA-N 1 3 354.542 3.785 20 0 FHADHO CC(=O)Nc1cccc(CN2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)c1 ZINC000471854957 933155137 /nfs/dbraw/zinc/15/51/37/933155137.db2.gz CPJUATWKYYOETQ-FYYLOGMGSA-N 1 3 365.521 3.817 20 0 FHADHO CCC[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)N(C)C)c1ccccc1 ZINC000548442395 933792004 /nfs/dbraw/zinc/79/20/04/933792004.db2.gz YOTOVSLIDIBFLU-LEWJYISDSA-N 1 3 353.510 3.537 20 0 FHADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(Cc2c[nH]nc2-c2cccnc2)CC1 ZINC000093844574 934180430 /nfs/dbraw/zinc/18/04/30/934180430.db2.gz RDZWHNLXYWFNCP-GOSISDBHSA-N 1 3 367.541 3.948 20 0 FHADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(Cc2c[nH]nc2-c2cccnc2)CC1 ZINC000093844574 934180435 /nfs/dbraw/zinc/18/04/35/934180435.db2.gz RDZWHNLXYWFNCP-GOSISDBHSA-N 1 3 367.541 3.948 20 0 FHADHO C[C@@H](c1nc(-c2ccccc2OCC[NH+](C)C)no1)N1[C@H](C)CC[C@H]1C ZINC000276998679 934432018 /nfs/dbraw/zinc/43/20/18/934432018.db2.gz YWNSJMJHDROFDM-OAGGEKHMSA-N 1 3 358.486 3.611 20 0 FHADHO CC[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(I)cc1 ZINC000610825761 934500256 /nfs/dbraw/zinc/50/02/56/934500256.db2.gz MLSILPILMCSJDI-WQVCFCJDSA-N 1 3 372.294 3.815 20 0 FHADHO CC[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(I)cc1 ZINC000610825761 934500270 /nfs/dbraw/zinc/50/02/70/934500270.db2.gz MLSILPILMCSJDI-WQVCFCJDSA-N 1 3 372.294 3.815 20 0 FHADHO C[C@@H]1CN(CC2CC[NH+](Cc3ccnc4ccccc34)CC2)C[C@@H](C)O1 ZINC000535827853 934528207 /nfs/dbraw/zinc/52/82/07/934528207.db2.gz CEJQCTKAHQORGF-QZTJIDSGSA-N 1 3 353.510 3.556 20 0 FHADHO C[C@H]1C[C@H]([NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)c2ccsc2S1 ZINC000537958624 934823637 /nfs/dbraw/zinc/82/36/37/934823637.db2.gz BLVFTULDRLUOTG-OSMBCOQSSA-N 1 3 352.569 3.641 20 0 FHADHO CC(C)c1ccc2c(c1)[C@H]([NH2+]C1CCN([C@H]3CCC[C@H]3O)CC1)CCCO2 ZINC000537959150 934846411 /nfs/dbraw/zinc/84/64/11/934846411.db2.gz WVHLNKSVPSCCHM-BHIFYINESA-N 1 3 372.553 3.991 20 0 FHADHO Cc1ccc2[nH]c(CNCc3ccccc3C[N@@H+]3CC[C@@H](O)C3)cc2c1C ZINC000472040787 934878519 /nfs/dbraw/zinc/87/85/19/934878519.db2.gz ABULURBXNIIWFM-OAQYLSRUSA-N 1 3 363.505 3.641 20 0 FHADHO Cc1ccc2[nH]c(CNCc3ccccc3C[N@H+]3CC[C@@H](O)C3)cc2c1C ZINC000472040787 934878524 /nfs/dbraw/zinc/87/85/24/934878524.db2.gz ABULURBXNIIWFM-OAQYLSRUSA-N 1 3 363.505 3.641 20 0 FHADHO CCN(CCC[NH+](CC)CC)C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000472109958 935053168 /nfs/dbraw/zinc/05/31/68/935053168.db2.gz FXADVXDDOAXTDH-PZJWPPBQSA-N 1 3 374.573 3.585 20 0 FHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)c3cc(C)cc(C)c3)CC2)CC1 ZINC000582071601 935211633 /nfs/dbraw/zinc/21/16/33/935211633.db2.gz XGMNLKDIIRCLNM-IBGZPJMESA-N 1 3 371.569 3.677 20 0 FHADHO C[C@@H]1CCCCN1CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000707947607 935309439 /nfs/dbraw/zinc/30/94/39/935309439.db2.gz FDVKYYJFNGQWFK-XWSJACJDSA-N 1 3 365.562 3.629 20 0 FHADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C[C@@H](N)c1ccccc1 ZINC000237343198 935954607 /nfs/dbraw/zinc/95/46/07/935954607.db2.gz LUJDVOPBJKYSKT-XMSQKQJNSA-N 1 3 365.521 3.767 20 0 FHADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C[C@@H](N)c1ccccc1 ZINC000237343198 935954609 /nfs/dbraw/zinc/95/46/09/935954609.db2.gz LUJDVOPBJKYSKT-XMSQKQJNSA-N 1 3 365.521 3.767 20 0 FHADHO CC[NH+]1CCC(N2CCC(C(=O)NCC(C)(C)C3CCCC3)CC2)CC1 ZINC000582733776 936026830 /nfs/dbraw/zinc/02/68/30/936026830.db2.gz BIDNQFXKNBZPML-UHFFFAOYSA-N 1 3 363.590 3.515 20 0 FHADHO Fc1ccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)c2ncccc12 ZINC000657613507 936093281 /nfs/dbraw/zinc/09/32/81/936093281.db2.gz MAXRDXIXICVHKZ-UHFFFAOYSA-N 1 3 364.468 3.771 20 0 FHADHO C[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2)[C@@H]1CC1(C)C ZINC000582799737 936139547 /nfs/dbraw/zinc/13/95/47/936139547.db2.gz YBQREPYKSPBGHZ-TYPHKJRUSA-N 1 3 356.554 3.939 20 0 FHADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2ccccc2Oc2cccnc2)C1 ZINC000472291118 938293975 /nfs/dbraw/zinc/29/39/75/938293975.db2.gz JCVPWJFOVVPNEB-OAQYLSRUSA-N 1 3 369.509 3.807 20 0 FHADHO CN(C)c1ccncc1CNC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000657773622 938310815 /nfs/dbraw/zinc/31/08/15/938310815.db2.gz UFHXORZYGZLKEY-OAQYLSRUSA-N 1 3 364.537 3.540 20 0 FHADHO CN(C)c1ccncc1CNC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000657773622 938310816 /nfs/dbraw/zinc/31/08/16/938310816.db2.gz UFHXORZYGZLKEY-OAQYLSRUSA-N 1 3 364.537 3.540 20 0 FHADHO COc1cc(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)cc(Cl)c1OC ZINC000583592072 938311282 /nfs/dbraw/zinc/31/12/82/938311282.db2.gz QSHWZYNDTYYFCZ-MRXNPFEDSA-N 1 3 352.906 3.521 20 0 FHADHO CC[NH+](CC)Cc1cccc(CNC(=O)N(CCN(C)C)C2CCCC2)c1 ZINC000468338230 938322605 /nfs/dbraw/zinc/32/26/05/938322605.db2.gz LZDJFDMFAYAPMK-UHFFFAOYSA-N 1 3 374.573 3.544 20 0 FHADHO FC(F)C(F)(F)COCCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000278370345 938355489 /nfs/dbraw/zinc/35/54/89/938355489.db2.gz DMNHQAVGPUWQMG-OSYLJGHBSA-N 1 3 374.422 3.689 20 0 FHADHO FC(F)C(F)(F)COCCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000278370345 938355492 /nfs/dbraw/zinc/35/54/92/938355492.db2.gz DMNHQAVGPUWQMG-OSYLJGHBSA-N 1 3 374.422 3.689 20 0 FHADHO CC[N@H+](CCC1CCN(Cc2cnc(N(C)C)s2)CC1)CC1CC1 ZINC000536141956 938443929 /nfs/dbraw/zinc/44/39/29/938443929.db2.gz YLRWLUAHTKYEFD-UHFFFAOYSA-N 1 3 350.576 3.543 20 0 FHADHO CC[N@@H+](CCC1CCN(Cc2cnc(N(C)C)s2)CC1)CC1CC1 ZINC000536141956 938443931 /nfs/dbraw/zinc/44/39/31/938443931.db2.gz YLRWLUAHTKYEFD-UHFFFAOYSA-N 1 3 350.576 3.543 20 0 FHADHO Fc1cncc([C@@H]([NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)C2CC2)c1 ZINC000467353963 945176320 /nfs/dbraw/zinc/17/63/20/945176320.db2.gz BXHOWOCKHWUKPU-AVRDEDQJSA-N 1 3 353.485 3.826 20 0 FHADHO COc1cccc(CNCc2ccc(OCC[NH+]3CCCC3)cc2)c1C ZINC000657803862 938467299 /nfs/dbraw/zinc/46/72/99/938467299.db2.gz ALASHMFWSMLDCU-UHFFFAOYSA-N 1 3 354.494 3.768 20 0 FHADHO Fc1cncc([C@H]([NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)C2CC2)c1 ZINC000467353965 945177448 /nfs/dbraw/zinc/17/74/48/945177448.db2.gz BXHOWOCKHWUKPU-PGRDOPGGSA-N 1 3 353.485 3.826 20 0 FHADHO OC1CC[NH+](Cc2ccc(CN[C@H]3CCc4cc(F)ccc43)cc2)CC1 ZINC000132587326 938530536 /nfs/dbraw/zinc/53/05/36/938530536.db2.gz NQOJBTFJEVBUIP-QFIPXVFZSA-N 1 3 354.469 3.560 20 0 FHADHO C[C@@H](NCCC[NH+]1CCC(O)CC1)c1cccc(OCc2ccccc2)c1 ZINC000151354243 938533153 /nfs/dbraw/zinc/53/31/53/938533153.db2.gz HLXIBNRUAULCFQ-LJQANCHMSA-N 1 3 368.521 3.763 20 0 FHADHO C[C@@H](NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@H](C)c1nc2ccccc2s1 ZINC000132972293 938552037 /nfs/dbraw/zinc/55/20/37/938552037.db2.gz VFLLELHICZDUDZ-BBWFWOEESA-N 1 3 373.566 3.879 20 0 FHADHO C[NH+]1CCC([C@@H]2CCN(Cc3c[nH]nc3-c3c(F)cccc3F)C2)CC1 ZINC000584378475 938785526 /nfs/dbraw/zinc/78/55/26/938785526.db2.gz LGZGPZVQALJVHA-OAHLLOKOSA-N 1 3 360.452 3.519 20 0 FHADHO COCC[N@H+](C)CCCC1CCN(Cc2cnc(C3CC3)s2)CC1 ZINC000093769481 938930061 /nfs/dbraw/zinc/93/00/61/938930061.db2.gz QFKIHDBXTYMTQF-UHFFFAOYSA-N 1 3 351.560 3.591 20 0 FHADHO COCC[N@@H+](C)CCCC1CCN(Cc2cnc(C3CC3)s2)CC1 ZINC000093769481 938930062 /nfs/dbraw/zinc/93/00/62/938930062.db2.gz QFKIHDBXTYMTQF-UHFFFAOYSA-N 1 3 351.560 3.591 20 0 FHADHO Cc1cc(CN(C)C)cc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000536214322 938930253 /nfs/dbraw/zinc/93/02/53/938930253.db2.gz JQMCRCIQVRZMHM-OAQYLSRUSA-N 1 3 365.521 3.907 20 0 FHADHO Cc1cc(CN(C)C)cc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000536214322 938930255 /nfs/dbraw/zinc/93/02/55/938930255.db2.gz JQMCRCIQVRZMHM-OAQYLSRUSA-N 1 3 365.521 3.907 20 0 FHADHO COc1cc(F)cc(CNCc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000093970894 938932352 /nfs/dbraw/zinc/93/23/52/938932352.db2.gz QDHHJCUQRHYJPR-UHFFFAOYSA-N 1 3 358.457 3.599 20 0 FHADHO CN(CCCc1c(F)cccc1Cl)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000685457484 938987864 /nfs/dbraw/zinc/98/78/64/938987864.db2.gz CQMZBQXBRLSAHZ-KRWDZBQOSA-N 1 3 367.940 3.512 20 0 FHADHO CN(CCCc1c(F)cccc1Cl)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000685457484 938987865 /nfs/dbraw/zinc/98/78/65/938987865.db2.gz CQMZBQXBRLSAHZ-KRWDZBQOSA-N 1 3 367.940 3.512 20 0 FHADHO CN1CC[NH+](CC2CCN(Cc3ccc(-c4ccc(F)cc4)o3)CC2)CC1 ZINC000685455051 938988296 /nfs/dbraw/zinc/98/82/96/938988296.db2.gz IPERDHMWYNHXNW-UHFFFAOYSA-N 1 3 371.500 3.545 20 0 FHADHO C[C@H](NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccc(Cl)c(F)c1 ZINC000658138008 939040431 /nfs/dbraw/zinc/04/04/31/939040431.db2.gz LSLSBGPWLLPOBD-KBXCAEBGSA-N 1 3 362.876 3.897 20 0 FHADHO C[C@H](NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc(Cl)c(F)c1 ZINC000658138008 939040435 /nfs/dbraw/zinc/04/04/35/939040435.db2.gz LSLSBGPWLLPOBD-KBXCAEBGSA-N 1 3 362.876 3.897 20 0 FHADHO CCc1nc(C)c([C@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)s1 ZINC000658164441 939052466 /nfs/dbraw/zinc/05/24/66/939052466.db2.gz DAJUBROWKAUHHN-HNNXBMFYSA-N 1 3 358.555 3.972 20 0 FHADHO CCc1nc2c(s1)[C@H]([NH2+]CC1CCN(Cc3ccncc3)CC1)CCC2 ZINC000658168002 939054422 /nfs/dbraw/zinc/05/44/22/939054422.db2.gz UZAXUPDVVCOUCT-GOSISDBHSA-N 1 3 370.566 3.980 20 0 FHADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NCC(C)(C)[C@@]2(O)CCCOC2)CC1 ZINC000658313706 939108531 /nfs/dbraw/zinc/10/85/31/939108531.db2.gz MOCJOKINQBBUAX-JOCHJYFZSA-N 1 3 368.606 3.823 20 0 FHADHO c1cc2n(n1)CCC[C@@H]2[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000658318656 939110600 /nfs/dbraw/zinc/11/06/00/939110600.db2.gz RLZYJGXXFRZCPN-UXHICEINSA-N 1 3 350.510 3.610 20 0 FHADHO O[C@H](C[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000312932170 945267372 /nfs/dbraw/zinc/26/73/72/945267372.db2.gz ODFBRPCYFLSRGY-PGRDOPGGSA-N 1 3 374.475 3.890 20 0 FHADHO COc1cc2c(c(CNCCCC[N@H+]3C[C@H](C)C[C@H](C)C3)c1)O[C@H](C)C2 ZINC000518266170 945269027 /nfs/dbraw/zinc/26/90/27/945269027.db2.gz OLIORRCDEPWJCP-FGTMMUONSA-N 1 3 360.542 3.866 20 0 FHADHO COc1cc2c(c(CNCCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)c1)O[C@H](C)C2 ZINC000518266170 945269034 /nfs/dbraw/zinc/26/90/34/945269034.db2.gz OLIORRCDEPWJCP-FGTMMUONSA-N 1 3 360.542 3.866 20 0 FHADHO c1nc(C2CC2)oc1CNCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000628227424 939902837 /nfs/dbraw/zinc/90/28/37/939902837.db2.gz GCVXNIHGZLOZFR-UHFFFAOYSA-N 1 3 369.509 3.713 20 0 FHADHO Cc1nc(C)c(CNCCc2ccc(OCC[N@H+]3C[C@H](C)[C@H](C)C3)cc2)o1 ZINC000628232037 939911783 /nfs/dbraw/zinc/91/17/83/939911783.db2.gz KGYWOLGQWBMORT-CALCHBBNSA-N 1 3 371.525 3.590 20 0 FHADHO Cc1nc(C)c(CNCCc2ccc(OCC[N@@H+]3C[C@H](C)[C@H](C)C3)cc2)o1 ZINC000628232037 939911784 /nfs/dbraw/zinc/91/17/84/939911784.db2.gz KGYWOLGQWBMORT-CALCHBBNSA-N 1 3 371.525 3.590 20 0 FHADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(Cc2ccccc2Oc2cccnc2)CC1 ZINC000584472852 939997699 /nfs/dbraw/zinc/99/76/99/939997699.db2.gz HZSGCJRZLNFLPR-RBBKRZOGSA-N 1 3 367.493 3.592 20 0 FHADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+][C@@H]4[C@@H]5CCO[C@H]5C45CCCC5)[C@@H]3C2)cc1 ZINC000507519945 945299034 /nfs/dbraw/zinc/29/90/34/945299034.db2.gz LQGVXYUROCZODA-OGXDUAGGSA-N 1 3 366.549 3.834 20 0 FHADHO C[C@@H](COCC(F)(F)F)N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000278799804 940183258 /nfs/dbraw/zinc/18/32/58/940183258.db2.gz RCGOTVVQQSCIJM-OWLYRPNTSA-N 1 3 356.432 3.739 20 0 FHADHO C[C@@H](COCC(F)(F)F)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000278799804 940183260 /nfs/dbraw/zinc/18/32/60/940183260.db2.gz RCGOTVVQQSCIJM-OWLYRPNTSA-N 1 3 356.432 3.739 20 0 FHADHO Cc1cc2ncc([C@H](C)[NH2+]C[C@@H]3CCN(C)[C@@H]3c3ccccc3)c(C)n2n1 ZINC000376162187 940392279 /nfs/dbraw/zinc/39/22/79/940392279.db2.gz LNQOYLKWIXUTIZ-XWFZLUIHSA-N 1 3 363.509 3.690 20 0 FHADHO FC(F)(F)[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)CCO1 ZINC000289772834 940394373 /nfs/dbraw/zinc/39/43/73/940394373.db2.gz JXNXCSJGKAVFTM-OTWHNJEPSA-N 1 3 370.459 3.988 20 0 FHADHO CCCN1CCN(c2ccccc2C[NH2+]CC[C@@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000548988718 940445524 /nfs/dbraw/zinc/44/55/24/940445524.db2.gz DBDXTEANLUJXIQ-WKCHPHFGSA-N 1 3 373.585 3.902 20 0 FHADHO COc1cc(C)c(C[N@@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)c(C)n1 ZINC000685850899 940467263 /nfs/dbraw/zinc/46/72/63/940467263.db2.gz MAAMEDKUERKJIW-LEWJYISDSA-N 1 3 365.521 3.661 20 0 FHADHO COc1cc(C)c(C[N@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)c(C)n1 ZINC000685850899 940467265 /nfs/dbraw/zinc/46/72/65/940467265.db2.gz MAAMEDKUERKJIW-LEWJYISDSA-N 1 3 365.521 3.661 20 0 FHADHO CCN1CCN(CCC[NH2+][C@@H]2CCC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000414058832 940467649 /nfs/dbraw/zinc/46/76/49/940467649.db2.gz HWXLDDURBBSGDK-PZJWPPBQSA-N 1 3 363.977 3.983 20 0 FHADHO Cc1ccc([C@H](CNC(=O)CC[C@H]2CCCC[N@H+]2C)N2CCCC2)cc1 ZINC000431776926 940493481 /nfs/dbraw/zinc/49/34/81/940493481.db2.gz UZTRKBQNNDZHHB-RTWAWAEBSA-N 1 3 357.542 3.513 20 0 FHADHO Cc1ccc([C@H](CNC(=O)CC[C@H]2CCCC[N@@H+]2C)N2CCCC2)cc1 ZINC000431776926 940493482 /nfs/dbraw/zinc/49/34/82/940493482.db2.gz UZTRKBQNNDZHHB-RTWAWAEBSA-N 1 3 357.542 3.513 20 0 FHADHO COc1cccc(CN(C)C/C=C/C[N@H+](C)Cc2cccc(OC)c2)c1 ZINC000613355124 940620694 /nfs/dbraw/zinc/62/06/94/940620694.db2.gz QMSNNSRMXJVQCQ-AATRIKPKSA-N 1 3 354.494 3.824 20 0 FHADHO COc1cccc(CN(C)C/C=C/C[N@@H+](C)Cc2cccc(OC)c2)c1 ZINC000613355124 940620695 /nfs/dbraw/zinc/62/06/95/940620695.db2.gz QMSNNSRMXJVQCQ-AATRIKPKSA-N 1 3 354.494 3.824 20 0 FHADHO CC[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2)[C@@H]1C[C@H]1C ZINC000414151815 940680829 /nfs/dbraw/zinc/68/08/29/940680829.db2.gz WPQJEFKPPYKGBX-NMIHRBCNSA-N 1 3 356.554 3.939 20 0 FHADHO CO[C@H]1c2ccccc2C[C@H]1N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000414219495 940787366 /nfs/dbraw/zinc/78/73/66/940787366.db2.gz HMVXLJXPKQDFEX-BPCBYJRWSA-N 1 3 350.506 3.942 20 0 FHADHO CO[C@H]1c2ccccc2C[C@H]1N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000414219495 940787368 /nfs/dbraw/zinc/78/73/68/940787368.db2.gz HMVXLJXPKQDFEX-BPCBYJRWSA-N 1 3 350.506 3.942 20 0 FHADHO OC1(C[NH2+][C@@H]2CCc3ccc(Cl)cc32)CCN(Cc2ccccc2)CC1 ZINC000414312474 940949310 /nfs/dbraw/zinc/94/93/10/940949310.db2.gz WNVPDFZXYZAMOE-OAQYLSRUSA-N 1 3 370.924 3.944 20 0 FHADHO CN1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(OCc3ccccn3)cc1)C2 ZINC000660660585 945363531 /nfs/dbraw/zinc/36/35/31/945363531.db2.gz XCHIHZPUSQKRMN-JOCHJYFZSA-N 1 3 351.494 3.578 20 0 FHADHO CN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(OCc3ccccn3)cc1)C2 ZINC000660660585 945363541 /nfs/dbraw/zinc/36/35/41/945363541.db2.gz XCHIHZPUSQKRMN-JOCHJYFZSA-N 1 3 351.494 3.578 20 0 FHADHO OC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000414326427 940980855 /nfs/dbraw/zinc/98/08/55/940980855.db2.gz ANOFECPCAJNLSC-XNBWIAOKSA-N 1 3 356.554 3.818 20 0 FHADHO CN(C)[C@@H](CNC(=O)C[NH2+][C@@H](c1ccccc1)C(C)(C)C)c1ccccc1 ZINC001167698717 941029801 /nfs/dbraw/zinc/02/98/01/941029801.db2.gz BQKMVKPCKHUTTB-UNMCSNQZSA-N 1 3 367.537 3.783 20 0 FHADHO CSc1ccc([C@H](CNC(=O)c2cccc(C[NH+](C)C)c2)N(C)C)cc1 ZINC000647582134 941094867 /nfs/dbraw/zinc/09/48/67/941094867.db2.gz IZQWYRRTBWTTEX-FQEVSTJZSA-N 1 3 371.550 3.503 20 0 FHADHO C[C@@H](NCc1ccc(C(C)(C)O)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311503766 941315407 /nfs/dbraw/zinc/31/54/07/941315407.db2.gz FTPKQWWUFBYDCN-NQIIRXRSSA-N 1 3 352.522 3.914 20 0 FHADHO C[C@@H](NCc1ccc(C(C)(C)O)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311503766 941315409 /nfs/dbraw/zinc/31/54/09/941315409.db2.gz FTPKQWWUFBYDCN-NQIIRXRSSA-N 1 3 352.522 3.914 20 0 FHADHO C[C@@H]([NH2+]Cc1ccc(C(C)(C)O)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000311503766 941315411 /nfs/dbraw/zinc/31/54/11/941315411.db2.gz FTPKQWWUFBYDCN-NQIIRXRSSA-N 1 3 352.522 3.914 20 0 FHADHO CC(C)(C)NCC[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000415084637 941590214 /nfs/dbraw/zinc/59/02/14/941590214.db2.gz HDDYHRGUAXEILC-UHFFFAOYSA-N 1 3 358.448 3.731 20 0 FHADHO O=C(CCCC[NH+]1CCCC1)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000729368763 941737180 /nfs/dbraw/zinc/73/71/80/941737180.db2.gz LRTHFCMKGNZJDK-OAQYLSRUSA-N 1 3 357.542 3.596 20 0 FHADHO C[C@@H]1CN(CC2CC[NH+](C[C@H]3CCC4(CCCCC4)O3)CC2)C[C@H](C)O1 ZINC000467194838 941898252 /nfs/dbraw/zinc/89/82/52/941898252.db2.gz DNGFAORTFVQYCZ-SVFBPWRDSA-N 1 3 364.574 3.690 20 0 FHADHO C[C@@H]([NH2+]C1CCN(CCC(F)(F)F)CC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000513408492 941902980 /nfs/dbraw/zinc/90/29/80/941902980.db2.gz NKOZPFBNPQQEQY-HZPDHXFCSA-N 1 3 361.496 3.646 20 0 FHADHO CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)cc1 ZINC000513627716 942053481 /nfs/dbraw/zinc/05/34/81/942053481.db2.gz XSTLQRDLPAVILM-YADHBBJMSA-N 1 3 365.521 3.704 20 0 FHADHO CC[NH2+]Cc1ccccc1NC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000415924390 942152617 /nfs/dbraw/zinc/15/26/17/942152617.db2.gz WKLDZMMIIFDDRJ-OXJNMPFZSA-N 1 3 354.498 3.609 20 0 FHADHO CC[NH2+]Cc1cccc(NC(=O)NC[C@@H](N[C@H](C)CC)c2ccco2)c1 ZINC000415936309 942166656 /nfs/dbraw/zinc/16/66/56/942166656.db2.gz TWTIJZDZVGUBHH-CRAIPNDOSA-N 1 3 358.486 3.640 20 0 FHADHO CC[NH2+]Cc1ccccc1NC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000415941240 942171842 /nfs/dbraw/zinc/17/18/42/942171842.db2.gz FUXWNFYPHYVKQZ-FQEVSTJZSA-N 1 3 354.498 3.529 20 0 FHADHO CC[NH2+]Cc1ccccc1NC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000415954043 942195266 /nfs/dbraw/zinc/19/52/66/942195266.db2.gz LVTBRJPUKJQTNX-YLJYHZDGSA-N 1 3 366.509 3.581 20 0 FHADHO Oc1ccc2c(c1)[C@@H](NCc1ccc(C[NH+]3CCC(O)CC3)cc1)CCC2 ZINC000280721288 942235104 /nfs/dbraw/zinc/23/51/04/942235104.db2.gz CEIAIDTWHZUVFV-QHCPKHFHSA-N 1 3 366.505 3.516 20 0 FHADHO CN(Cc1nc2cc(F)ccc2o1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501024442 942267845 /nfs/dbraw/zinc/26/78/45/942267845.db2.gz BSZNYWBYIBWJGA-UHFFFAOYSA-N 1 3 354.429 3.710 20 0 FHADHO CCN1CCC([N@@H+]2CCCN(C[C@H](C)c3cccc(Cl)c3)CC2)CC1 ZINC000420972365 942286063 /nfs/dbraw/zinc/28/60/63/942286063.db2.gz ANLUEWSXFVEBKU-SFHVURJKSA-N 1 3 363.977 3.936 20 0 FHADHO CCN1CCC([N@H+]2CCCN(C[C@H](C)c3cccc(Cl)c3)CC2)CC1 ZINC000420972365 942286066 /nfs/dbraw/zinc/28/60/66/942286066.db2.gz ANLUEWSXFVEBKU-SFHVURJKSA-N 1 3 363.977 3.936 20 0 FHADHO C[C@H]1CN(CC2CC[NH+](CCSC3CCCCC3)CC2)C[C@H](C)O1 ZINC000501154891 942328319 /nfs/dbraw/zinc/32/83/19/942328319.db2.gz QYKZJJOPJMXIRQ-ROUUACIJSA-N 1 3 354.604 3.874 20 0 FHADHO Cn1cc(-c2ccc(CN3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)s2)cn1 ZINC000549406588 942480018 /nfs/dbraw/zinc/48/00/18/942480018.db2.gz FODDIWDAGFNDFS-BEFAXECRSA-N 1 3 356.539 3.597 20 0 FHADHO Cn1cc(-c2ccc(CN3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)s2)cn1 ZINC000549406588 942480020 /nfs/dbraw/zinc/48/00/20/942480020.db2.gz FODDIWDAGFNDFS-BEFAXECRSA-N 1 3 356.539 3.597 20 0 FHADHO Cn1cc(-c2ccc(CN3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)s2)cn1 ZINC000549406591 942480046 /nfs/dbraw/zinc/48/00/46/942480046.db2.gz FODDIWDAGFNDFS-KXBFYZLASA-N 1 3 356.539 3.597 20 0 FHADHO Cn1cc(-c2ccc(CN3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)s2)cn1 ZINC000549406591 942480047 /nfs/dbraw/zinc/48/00/47/942480047.db2.gz FODDIWDAGFNDFS-KXBFYZLASA-N 1 3 356.539 3.597 20 0 FHADHO OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CNCc1cccc(C2CC2)c1 ZINC000421338329 942510114 /nfs/dbraw/zinc/51/01/14/942510114.db2.gz FAWOLRBDTFSMLN-QHCPKHFHSA-N 1 3 350.506 3.811 20 0 FHADHO OC[C@@H]1CCC[N@H+]1Cc1ccccc1CNCc1cccc(C2CC2)c1 ZINC000421338329 942510120 /nfs/dbraw/zinc/51/01/20/942510120.db2.gz FAWOLRBDTFSMLN-QHCPKHFHSA-N 1 3 350.506 3.811 20 0 FHADHO CCN1CCC([N@@H+]2CCCN(Cc3cc(C)c4ncccc4c3)CC2)CC1 ZINC000421370412 942521792 /nfs/dbraw/zinc/52/17/92/942521792.db2.gz IQHVUUDITMQFPR-UHFFFAOYSA-N 1 3 366.553 3.535 20 0 FHADHO CCN1CCC([N@H+]2CCCN(Cc3cc(C)c4ncccc4c3)CC2)CC1 ZINC000421370412 942521798 /nfs/dbraw/zinc/52/17/98/942521798.db2.gz IQHVUUDITMQFPR-UHFFFAOYSA-N 1 3 366.553 3.535 20 0 FHADHO Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000420301804 942611180 /nfs/dbraw/zinc/61/11/80/942611180.db2.gz AZPUBNFRYBIPJA-GHTZIAJQSA-N 1 3 351.494 3.736 20 0 FHADHO Cc1cc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)ccc1Cl ZINC000414525676 942615449 /nfs/dbraw/zinc/61/54/49/942615449.db2.gz MVXDGUSMAUGASA-UHFFFAOYSA-N 1 3 358.913 3.765 20 0 FHADHO CCOC(=O)c1oc2ccccc2c1CN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420343659 942626084 /nfs/dbraw/zinc/62/60/84/942626084.db2.gz ZMSALMGCFGRGBU-GOSISDBHSA-N 1 3 356.466 3.574 20 0 FHADHO O=C(Nc1ccccc1)[C@H](c1ccccc1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420333572 942632281 /nfs/dbraw/zinc/63/22/81/942632281.db2.gz FIZHYHPRDRTATJ-SJBKTWHCSA-N 1 3 363.505 3.688 20 0 FHADHO OC1(CCC[NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCC1 ZINC000421848218 942858724 /nfs/dbraw/zinc/85/87/24/942858724.db2.gz AEPQQUKEXMVYHA-BHDDXSALSA-N 1 3 356.554 3.962 20 0 FHADHO COc1cc(C[N@@H+]2CC[C@]3(CCN(C)C3)C2)c(-c2ccccc2)cc1OC ZINC000430120254 942916785 /nfs/dbraw/zinc/91/67/85/942916785.db2.gz BBNSVWKXJMOSDP-QHCPKHFHSA-N 1 3 366.505 3.898 20 0 FHADHO COc1cc(C[N@H+]2CC[C@]3(CCN(C)C3)C2)c(-c2ccccc2)cc1OC ZINC000430120254 942916789 /nfs/dbraw/zinc/91/67/89/942916789.db2.gz BBNSVWKXJMOSDP-QHCPKHFHSA-N 1 3 366.505 3.898 20 0 FHADHO C[NH+](C)[C@H]1CCOc2c(NC3CCN(CCC(F)(F)F)CC3)cccc21 ZINC000435031600 943115154 /nfs/dbraw/zinc/11/51/54/943115154.db2.gz CBUWYWVWVZTKBS-KRWDZBQOSA-N 1 3 371.447 3.901 20 0 FHADHO C[C@@H]1C[C@@H](C)N(Cc2ccc(C(=O)Nc3ccccc3)cc2)C[C@H]1C[NH3+] ZINC000422631203 943214352 /nfs/dbraw/zinc/21/43/52/943214352.db2.gz FGBTUEVJRHHYCI-MBOZVWFJSA-N 1 3 351.494 3.744 20 0 FHADHO CCS[C@@H]1CCC[C@@H]1NCC1(C[NH2+][C@H]2CCC[C@@H]2SCC)COC1 ZINC000503517789 943229676 /nfs/dbraw/zinc/22/96/76/943229676.db2.gz SDDNCUIMJUIXGG-XLAORIBOSA-N 1 3 372.644 3.531 20 0 FHADHO CCS[C@@H]1CCC[C@@H]1[NH2+]CC1(CN[C@H]2CCC[C@@H]2SCC)COC1 ZINC000503517789 943229682 /nfs/dbraw/zinc/22/96/82/943229682.db2.gz SDDNCUIMJUIXGG-XLAORIBOSA-N 1 3 372.644 3.531 20 0 FHADHO CCCOCc1ccccc1CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422697997 943235839 /nfs/dbraw/zinc/23/58/39/943235839.db2.gz XDPDWRJRDHJDQH-JTHBVZDNSA-N 1 3 366.505 3.959 20 0 FHADHO CC(C)N1CCN(C2CC[NH+]([C@H](C)CCc3cccc(F)c3)CC2)CC1 ZINC000272881265 943237604 /nfs/dbraw/zinc/23/76/04/943237604.db2.gz QPHPRADNJZAOAI-LJQANCHMSA-N 1 3 361.549 3.637 20 0 FHADHO N[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccc(Br)cc3)C2)c2ccccc21 ZINC000422703266 943239319 /nfs/dbraw/zinc/23/93/19/943239319.db2.gz HJEDYBVFNSHBSN-NIKGAXFTSA-N 1 3 372.310 3.762 20 0 FHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCc1cc(Br)ccc1F ZINC000422703573 943239375 /nfs/dbraw/zinc/23/93/75/943239375.db2.gz NJQKRYOWXGDKOX-LLVKDONJSA-N 1 3 366.278 3.644 20 0 FHADHO Cc1ccc(C(=O)Nc2cccc(CN[C@H]3CCCC[C@@H]3C[NH3+])c2)cc1 ZINC000422707106 943241245 /nfs/dbraw/zinc/24/12/45/943241245.db2.gz GRDZUMJHGBQITF-CTNGQTDRSA-N 1 3 351.494 3.854 20 0 FHADHO COCCSc1ccc([C@@H](C)N[C@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000422712932 943244868 /nfs/dbraw/zinc/24/48/68/943244868.db2.gz IYQRRXUJALTBEB-HUUCEWRRSA-N 1 3 359.539 3.999 20 0 FHADHO COc1ccc([C@H](CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)N2CCCC2)cc1 ZINC000422757805 943262349 /nfs/dbraw/zinc/26/23/49/943262349.db2.gz MZBYGCNZSDKACO-AFXVXQJMSA-N 1 3 371.569 3.733 20 0 FHADHO COc1cccc([C@H](CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)N2CCCC2)c1 ZINC000422755473 943274073 /nfs/dbraw/zinc/27/40/73/943274073.db2.gz HYQFOJZAWSAELO-GPJHCHHRSA-N 1 3 371.569 3.733 20 0 FHADHO COc1cccc(N2CCC[C@H](N[C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)C2)c1 ZINC000422768905 943275473 /nfs/dbraw/zinc/27/54/73/943275473.db2.gz VCCQKZCCQHVSQM-ZHNGQKSSSA-N 1 3 357.542 3.564 20 0 FHADHO CCOc1ccc(CC[NH2+][C@@H](C)c2ccc(CN)nc2C)cc1OCC ZINC000422768490 943276219 /nfs/dbraw/zinc/27/62/19/943276219.db2.gz TVPBEVXTUAXPRT-HNNXBMFYSA-N 1 3 357.498 3.539 20 0 FHADHO C[C@H](CCC[NH3+])N[C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000422781539 943281174 /nfs/dbraw/zinc/28/11/74/943281174.db2.gz FFVIDRUALBUZHC-VLIAUNLRSA-N 1 3 360.885 3.918 20 0 FHADHO CCN(CC)[C@H](CN[C@H]1C[C@@H]([NH3+])c2ccccc21)c1cccc(OC)c1 ZINC000422797154 943286687 /nfs/dbraw/zinc/28/66/87/943286687.db2.gz LEPZGNRPKQKWLY-BHIFYINESA-N 1 3 353.510 3.813 20 0 FHADHO OC[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)Cc1c(F)cccc1Cl ZINC000422799300 943288101 /nfs/dbraw/zinc/28/81/01/943288101.db2.gz WBJGIDHIKPCWRP-IQGAEYHTSA-N 1 3 368.924 3.531 20 0 FHADHO CC(C)c1nc(C[N@@H+]2CC[C@H](n3cnc4c3CCCC4)C2)c2ccccn21 ZINC000514803168 943302743 /nfs/dbraw/zinc/30/27/43/943302743.db2.gz PCQYVCCGCNYGEN-KRWDZBQOSA-N 1 3 363.509 3.980 20 0 FHADHO CC(C)c1nc(C[N@H+]2CC[C@H](n3cnc4c3CCCC4)C2)c2ccccn21 ZINC000514803168 943302747 /nfs/dbraw/zinc/30/27/47/943302747.db2.gz PCQYVCCGCNYGEN-KRWDZBQOSA-N 1 3 363.509 3.980 20 0 FHADHO C[C@@H]([NH2+]CC1CCN(Cc2ccccc2Cl)CC1)c1cnccc1N ZINC000422878908 943314408 /nfs/dbraw/zinc/31/44/08/943314408.db2.gz LGGJFTMSVPQOAV-OAHLLOKOSA-N 1 3 358.917 3.710 20 0 FHADHO Cc1nc(C[NH3+])ccc1[C@H](C)NCc1cccc(OCC(F)(F)F)c1 ZINC000422881051 943315733 /nfs/dbraw/zinc/31/57/33/943315733.db2.gz NERRRNUDTJIROA-LBPRGKRZSA-N 1 3 353.388 3.641 20 0 FHADHO Cc1ccccc1C1(C[NH2+][C@@H](C)c2ccc(CN)nc2C)CCOCC1 ZINC000422884551 943317651 /nfs/dbraw/zinc/31/76/51/943317651.db2.gz XHIIDCLOLDIJQO-KRWDZBQOSA-N 1 3 353.510 3.556 20 0 FHADHO C[C@@H](NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)c1cnccc1N ZINC000422889985 943319554 /nfs/dbraw/zinc/31/95/54/943319554.db2.gz HECBQSXPRGKIAD-FGTMMUONSA-N 1 3 352.526 3.823 20 0 FHADHO C[C@@H](NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cnccc1N ZINC000422889985 943319559 /nfs/dbraw/zinc/31/95/59/943319559.db2.gz HECBQSXPRGKIAD-FGTMMUONSA-N 1 3 352.526 3.823 20 0 FHADHO CCCOc1ccc(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422902219 943325369 /nfs/dbraw/zinc/32/53/69/943325369.db2.gz UEWVUZVFBFVJOD-IRLDBZIGSA-N 1 3 352.478 3.821 20 0 FHADHO Cc1ccc(NC(=O)c2cccc(C[NH+]3CCCC3)c2)c(CN(C)C)c1 ZINC000505660566 943330689 /nfs/dbraw/zinc/33/06/89/943330689.db2.gz RXXKUUMJPHNEBM-UHFFFAOYSA-N 1 3 351.494 3.905 20 0 FHADHO CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@H](Cc2ccccc2)[C@H](C)N)c1 ZINC000422942465 943340144 /nfs/dbraw/zinc/34/01/44/943340144.db2.gz KIOGJQHUCWVBSN-XGHQBKJUSA-N 1 3 353.510 3.719 20 0 FHADHO CCC(CC)(CNC(=O)N1CCN(C)CC[C@H]1C)[NH2+][C@H](C)c1ccccc1 ZINC000503701860 943344780 /nfs/dbraw/zinc/34/47/80/943344780.db2.gz NJFPMILIVITJDW-RTBURBONSA-N 1 3 374.573 3.632 20 0 FHADHO c1cc(CN2CCSCC2)cc(N[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000422957659 943350138 /nfs/dbraw/zinc/35/01/38/943350138.db2.gz USUWDLWTOORVKU-QHAWAJNXSA-N 1 3 359.583 3.958 20 0 FHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCCO[C@@H]1CCCc2ccccc21 ZINC000422981301 943357218 /nfs/dbraw/zinc/35/72/18/943357218.db2.gz NSCCBSDUPXYQJE-OPAMFIHVSA-N 1 3 353.510 3.984 20 0 FHADHO Clc1ccc(COCCN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422996890 943359509 /nfs/dbraw/zinc/35/95/09/943359509.db2.gz AEGOXOPZPMSMRR-FPOVZHCZSA-N 1 3 372.896 3.702 20 0 FHADHO CCCOC[C@H](Cc1cccc(Br)c1)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000423047869 943368179 /nfs/dbraw/zinc/36/81/79/943368179.db2.gz HJHGWFUYHVRLNA-KEYYUXOJSA-N 1 3 357.336 3.502 20 0 FHADHO CC[NH2+]CC1CCN(Cc2ccc(OCC(F)(F)F)c(OCC)c2)CC1 ZINC000435381692 943369579 /nfs/dbraw/zinc/36/95/79/943369579.db2.gz XKTAFKDHNOPWOX-UHFFFAOYSA-N 1 3 374.447 3.848 20 0 FHADHO CC(C)c1ccc([C@H]2CCCC[N@@H+]2C[C@@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414713235 943373688 /nfs/dbraw/zinc/37/36/88/943373688.db2.gz UDRPPLHLYBJJSF-GHTZIAJQSA-N 1 3 357.542 3.534 20 0 FHADHO CC(C)c1ccc([C@H]2CCCC[N@H+]2C[C@@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414713235 943373694 /nfs/dbraw/zinc/37/36/94/943373694.db2.gz UDRPPLHLYBJJSF-GHTZIAJQSA-N 1 3 357.542 3.534 20 0 FHADHO COCc1ccccc1/C=C(\C)C[NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1 ZINC000511607398 943374705 /nfs/dbraw/zinc/37/47/05/943374705.db2.gz WEQYHKHLHJLTMY-HMMKQNKJSA-N 1 3 372.553 3.594 20 0 FHADHO CCN(Cc1ccc(OCc2csc(C)n2)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435392719 943378863 /nfs/dbraw/zinc/37/88/63/943378863.db2.gz HPCKOMUTBMAHSF-LJQANCHMSA-N 1 3 359.539 3.995 20 0 FHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H](Cc1ccccc1)C(F)(F)F ZINC000423123901 943398573 /nfs/dbraw/zinc/39/85/73/943398573.db2.gz NPSGIVSEIZCIEC-XJKSGUPXSA-N 1 3 351.416 3.921 20 0 FHADHO CC(=O)Nc1ccc(CN(Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000435420886 943400003 /nfs/dbraw/zinc/40/00/03/943400003.db2.gz GHPXJDGQGNIHAX-HXUWFJFHSA-N 1 3 369.534 3.851 20 0 FHADHO FC(F)(F)c1cccc([C@H]2C[C@H](N[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)C2)c1 ZINC000423103702 943401357 /nfs/dbraw/zinc/40/13/57/943401357.db2.gz XVYPEQMOCLHGLY-XFUTXVRSSA-N 1 3 368.443 3.698 20 0 FHADHO CN1CCC[C@H](N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c2ccccc21 ZINC000423152918 943411809 /nfs/dbraw/zinc/41/18/09/943411809.db2.gz GLKLOYWPUIGIIH-MIZPHKNDSA-N 1 3 363.505 3.803 20 0 FHADHO COC[C@@H](CCC[NH3+])N[C@H](Cc1ccccc1)c1nc2ccccc2s1 ZINC000423155720 943412391 /nfs/dbraw/zinc/41/23/91/943412391.db2.gz LNMQHTLCDXWJOZ-IEBWSBKVSA-N 1 3 369.534 3.924 20 0 FHADHO Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)NCCC[NH3+] ZINC000423175120 943427082 /nfs/dbraw/zinc/42/70/82/943427082.db2.gz DBLKJGSEEBXWJQ-JTQLQIEISA-N 1 3 354.317 3.880 20 0 FHADHO [NH3+]CCCN[C@H]1CCCc2nc(-c3ccc(Br)cc3)sc21 ZINC000423187005 943434411 /nfs/dbraw/zinc/43/44/11/943434411.db2.gz KSVIZXIKXKSOQL-ZDUSSCGKSA-N 1 3 366.328 3.888 20 0 FHADHO Cc1ccc([C@H](CNC(=O)c2ccc([C@@H](C)[NH3+])cc2)N2CCCC2)cc1 ZINC000423360306 943491115 /nfs/dbraw/zinc/49/11/15/943491115.db2.gz QKEGWLRPCUYMNE-UTKZUKDTSA-N 1 3 351.494 3.582 20 0 FHADHO COc1ccc([C@H](C)NCc2ccc3c(c2)C[NH2+]C3)cc1Br ZINC000423365278 943492511 /nfs/dbraw/zinc/49/25/11/943492511.db2.gz AZTMHPGUQJHYRF-LBPRGKRZSA-N 1 3 361.283 3.912 20 0 FHADHO Fc1cc(Br)cc2c1CC[C@@H]2NCc1ccc2c(c1)C[NH2+]C2 ZINC000423368106 943493835 /nfs/dbraw/zinc/49/38/35/943493835.db2.gz CXXMSHSPUDYNOU-SFHVURJKSA-N 1 3 361.258 3.969 20 0 FHADHO C[C@@H](c1ccc2ccccc2c1)[N@H+](C[C@@H]1CCCN(C(=O)CN)C1)C1CC1 ZINC000414743364 943514300 /nfs/dbraw/zinc/51/43/00/943514300.db2.gz ITBOGRKRXCUVIQ-ZWKOTPCHSA-N 1 3 365.521 3.563 20 0 FHADHO C[C@@H](c1ccc2ccccc2c1)[N@@H+](C[C@@H]1CCCN(C(=O)CN)C1)C1CC1 ZINC000414743364 943514302 /nfs/dbraw/zinc/51/43/02/943514302.db2.gz ITBOGRKRXCUVIQ-ZWKOTPCHSA-N 1 3 365.521 3.563 20 0 FHADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](NC[C@@H]2NCCc4ccccc42)C3)cc1 ZINC000423437882 943519328 /nfs/dbraw/zinc/51/93/28/943519328.db2.gz ULNWMWYRAUIOHG-KHUIQGCPSA-N 1 3 361.533 3.659 20 0 FHADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](NC[C@@H]2NCCc4ccccc42)C3)cc1 ZINC000423437882 943519330 /nfs/dbraw/zinc/51/93/30/943519330.db2.gz ULNWMWYRAUIOHG-KHUIQGCPSA-N 1 3 361.533 3.659 20 0 FHADHO CCOc1cc(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc(Cl)c1OC ZINC000414777998 943779604 /nfs/dbraw/zinc/77/96/04/943779604.db2.gz IUOPXOXIZRHQGC-CVEARBPZSA-N 1 3 352.906 3.569 20 0 FHADHO [NH3+]C[C@H]1CN(Cc2ccc(-c3cccc(F)c3)s2)CC12CCOCC2 ZINC000414778890 943793084 /nfs/dbraw/zinc/79/30/84/943793084.db2.gz JNANTHATRQNFIQ-INIZCTEOSA-N 1 3 360.498 3.742 20 0 FHADHO COc1ccc(-c2nc(CN3CC4(C[C@@H]3C)CC[NH2+]CC4)cs2)cc1 ZINC000424302496 943821113 /nfs/dbraw/zinc/82/11/13/943821113.db2.gz ZRGWYJZJMJWFSS-HNNXBMFYSA-N 1 3 357.523 3.783 20 0 FHADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC000584873183 943837809 /nfs/dbraw/zinc/83/78/09/943837809.db2.gz ULQYIEVLGQMBMO-AZUAARDMSA-N 1 3 357.542 3.593 20 0 FHADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC000584873183 943837816 /nfs/dbraw/zinc/83/78/16/943837816.db2.gz ULQYIEVLGQMBMO-AZUAARDMSA-N 1 3 357.542 3.593 20 0 FHADHO C[C@H]1CC2(CN1Cc1nc3cc(C(F)(F)F)ccc3n1C)CC[NH2+]CC2 ZINC000424375318 943885534 /nfs/dbraw/zinc/88/55/34/943885534.db2.gz JKMIBAKACAMQLP-ZDUSSCGKSA-N 1 3 366.431 3.556 20 0 FHADHO COC(=O)[C@H](CCN[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1ccccc1 ZINC000425431994 943908471 /nfs/dbraw/zinc/90/84/71/943908471.db2.gz JKJSRQFFIZSCHT-HFSMHLIXSA-N 1 3 358.526 3.576 20 0 FHADHO COC(=O)[C@H](CCN[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccccc1 ZINC000425431994 943908473 /nfs/dbraw/zinc/90/84/73/943908473.db2.gz JKJSRQFFIZSCHT-HFSMHLIXSA-N 1 3 358.526 3.576 20 0 FHADHO COc1cc(CNCc2ccc([C@@H](C)[NH3+])cc2)ccc1OCC(F)(F)F ZINC000414806637 944051356 /nfs/dbraw/zinc/05/13/56/944051356.db2.gz HXBCXODQKMEBLY-CYBMUJFWSA-N 1 3 368.399 3.946 20 0 FHADHO COc1cc(CNCc2ccc([C@H](C)[NH3+])cc2)ccc1OCC(F)(F)F ZINC000414806639 944051384 /nfs/dbraw/zinc/05/13/84/944051384.db2.gz HXBCXODQKMEBLY-ZDUSSCGKSA-N 1 3 368.399 3.946 20 0 FHADHO Cc1ccccc1O[C@@H]1CCCC[C@@H]1NCc1cc(C2CC[NH2+]CC2)no1 ZINC000425898560 944118020 /nfs/dbraw/zinc/11/80/20/944118020.db2.gz ZHQQULOPONCKAU-SIKLNZKXSA-N 1 3 369.509 3.930 20 0 FHADHO COc1cc(C[N@@H+]2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)cc(OC)c1 ZINC000517267642 944170853 /nfs/dbraw/zinc/17/08/53/944170853.db2.gz CCGQTZOCJAFOLT-RTWAWAEBSA-N 1 3 366.505 3.658 20 0 FHADHO COc1cc(C[N@H+]2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)cc(OC)c1 ZINC000517267642 944170856 /nfs/dbraw/zinc/17/08/56/944170856.db2.gz CCGQTZOCJAFOLT-RTWAWAEBSA-N 1 3 366.505 3.658 20 0 FHADHO C[C@H](C[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1)CN(C)C ZINC000425923969 944189645 /nfs/dbraw/zinc/18/96/45/944189645.db2.gz OXWJHQWQMQUHEV-RDTXWAMCSA-N 1 3 369.347 3.704 20 0 FHADHO C[C@H](CN[C@@H](c1cccc(Br)c1)C1CCOCC1)C[NH+](C)C ZINC000425923969 944189650 /nfs/dbraw/zinc/18/96/50/944189650.db2.gz OXWJHQWQMQUHEV-RDTXWAMCSA-N 1 3 369.347 3.704 20 0 FHADHO CN1CCN(CC2(C)CC[NH+]([C@H]3CC[C@](C)(c4ccccc4)C3)CC2)CC1 ZINC000437969587 944258708 /nfs/dbraw/zinc/25/87/08/944258708.db2.gz JEVDLPMUTBTYCC-UPVQGACJSA-N 1 3 369.597 3.846 20 0 FHADHO COCC[N@H+](C)CCCC1CCN(Cc2cc3c(cccc3F)[nH]2)CC1 ZINC000438101358 944341217 /nfs/dbraw/zinc/34/12/17/944341217.db2.gz FZQRXNNUQNKDPA-UHFFFAOYSA-N 1 3 361.505 3.877 20 0 FHADHO COCC[N@@H+](C)CCCC1CCN(Cc2cc3c(cccc3F)[nH]2)CC1 ZINC000438101358 944341226 /nfs/dbraw/zinc/34/12/26/944341226.db2.gz FZQRXNNUQNKDPA-UHFFFAOYSA-N 1 3 361.505 3.877 20 0 FHADHO C[C@H]1CCCC[N@@H+]1CCCNc1nc(N2CCOCC2)cc2ccccc21 ZINC001167752260 944354686 /nfs/dbraw/zinc/35/46/86/944354686.db2.gz SSAWGBDOLOJFQI-SFHVURJKSA-N 1 3 368.525 3.748 20 0 FHADHO C[C@H]1CCCC[N@H+]1CCCNc1nc(N2CCOCC2)cc2ccccc21 ZINC001167752260 944354689 /nfs/dbraw/zinc/35/46/89/944354689.db2.gz SSAWGBDOLOJFQI-SFHVURJKSA-N 1 3 368.525 3.748 20 0 FHADHO COCCC1([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CCC(F)(F)CC1 ZINC001167977851 944432302 /nfs/dbraw/zinc/43/23/02/944432302.db2.gz GMKRVAGLFSOPGS-AYHJJNSGSA-N 1 3 356.501 3.966 20 0 FHADHO CC(C)c1nnc(CC[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)s1 ZINC000426350340 944529113 /nfs/dbraw/zinc/52/91/13/944529113.db2.gz HMBKTVNYMBGUQD-AEFFLSMTSA-N 1 3 358.555 3.704 20 0 FHADHO CC(C)c1nnc(CCN[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000426350340 944529118 /nfs/dbraw/zinc/52/91/18/944529118.db2.gz HMBKTVNYMBGUQD-AEFFLSMTSA-N 1 3 358.555 3.704 20 0 FHADHO CC(C)c1nnc(CCN[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000426350340 944529123 /nfs/dbraw/zinc/52/91/23/944529123.db2.gz HMBKTVNYMBGUQD-AEFFLSMTSA-N 1 3 358.555 3.704 20 0 FHADHO COc1ccc(CC[C@H](C)[NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)cc1O ZINC000426356091 944544812 /nfs/dbraw/zinc/54/48/12/944544812.db2.gz HBHIYFATYDRWOK-JENIJYKNSA-N 1 3 360.542 3.965 20 0 FHADHO CN1C[C@@H]2C[N@@H+](Cc3ccc(-c4cccc(Br)c4)o3)C[C@@H]2C1 ZINC000425991051 944561667 /nfs/dbraw/zinc/56/16/67/944561667.db2.gz RHLCJCHITUMWID-GASCZTMLSA-N 1 3 361.283 3.703 20 0 FHADHO CN1C[C@@H]2C[N@H+](Cc3ccc(-c4cccc(Br)c4)o3)C[C@@H]2C1 ZINC000425991051 944561672 /nfs/dbraw/zinc/56/16/72/944561672.db2.gz RHLCJCHITUMWID-GASCZTMLSA-N 1 3 361.283 3.703 20 0 FHADHO COc1ccccc1C[C@@H](C)[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000415004607 944961769 /nfs/dbraw/zinc/96/17/69/944961769.db2.gz OMDNFZHRUOGUFG-LKUPVBHCSA-N 1 3 356.485 3.748 20 0 FHADHO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000518055835 944975818 /nfs/dbraw/zinc/97/58/18/944975818.db2.gz SBYWWGIPTYWYIR-PMACEKPBSA-N 1 3 371.569 3.770 20 0 FHADHO CCO[C@@H]1CCN(CC2(C[N@@H+]3CC[C@H](OCC)[C@@H](C)C3)CCC2)C[C@H]1C ZINC000660719257 945420386 /nfs/dbraw/zinc/42/03/86/945420386.db2.gz BCVKYVDWXMHYRV-FXELSEDVSA-N 1 3 366.590 3.651 20 0 FHADHO CCO[C@@H]1CCN(CC2(C[N@H+]3CC[C@H](OCC)[C@@H](C)C3)CCC2)C[C@H]1C ZINC000660719257 945420390 /nfs/dbraw/zinc/42/03/90/945420390.db2.gz BCVKYVDWXMHYRV-FXELSEDVSA-N 1 3 366.590 3.651 20 0 FHADHO CCO[C@@H]1CC[N@@H+](CC2(CN3CC[C@H](OCC)[C@@H](C)C3)CCC2)C[C@H]1C ZINC000660719257 945420396 /nfs/dbraw/zinc/42/03/96/945420396.db2.gz BCVKYVDWXMHYRV-FXELSEDVSA-N 1 3 366.590 3.651 20 0 FHADHO CCO[C@@H]1CC[N@H+](CC2(CN3CC[C@H](OCC)[C@@H](C)C3)CCC2)C[C@H]1C ZINC000660719257 945420401 /nfs/dbraw/zinc/42/04/01/945420401.db2.gz BCVKYVDWXMHYRV-FXELSEDVSA-N 1 3 366.590 3.651 20 0 FHADHO CC(C)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)NC(=O)OC(C)(C)C ZINC001167973102 945924093 /nfs/dbraw/zinc/92/40/93/945924093.db2.gz GPFFFEMMNCFNNE-XVLXNVKGSA-N 1 3 365.562 3.531 20 0 FHADHO CC(C)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)NC(=O)OC(C)(C)C ZINC001167973102 945924099 /nfs/dbraw/zinc/92/40/99/945924099.db2.gz GPFFFEMMNCFNNE-XVLXNVKGSA-N 1 3 365.562 3.531 20 0 FHADHO C[NH+](C)CCCOc1ccc(CNCC2=Cc3ccccc3OC2)cc1 ZINC000103172902 946228555 /nfs/dbraw/zinc/22/85/55/946228555.db2.gz GYYHPZOZZWLGFF-UHFFFAOYSA-N 1 3 352.478 3.583 20 0 FHADHO O[C@@H]1CC[N@H+](Cc2ccccc2CNCc2ccc(C(F)F)c(F)c2)C1 ZINC000893488456 946439404 /nfs/dbraw/zinc/43/94/04/946439404.db2.gz USLZHZHDCUPRQC-QGZVFWFLSA-N 1 3 364.411 3.620 20 0 FHADHO O[C@@H]1CC[N@@H+](Cc2ccccc2CNCc2ccc(C(F)F)c(F)c2)C1 ZINC000893488456 946439406 /nfs/dbraw/zinc/43/94/06/946439406.db2.gz USLZHZHDCUPRQC-QGZVFWFLSA-N 1 3 364.411 3.620 20 0 FHADHO Cc1ccc([C@H]2CCC[C@@H]2N(C)CC(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000441359573 946485223 /nfs/dbraw/zinc/48/52/23/946485223.db2.gz RRGXITAVODVJKX-YADHBBJMSA-N 1 3 371.569 3.552 20 0 FHADHO Fc1ccc(-c2cc(C[N@@H+]3CC[C@@H]4[C@H](CCCN4C4CC4)C3)on2)cc1 ZINC000441394364 946548801 /nfs/dbraw/zinc/54/88/01/946548801.db2.gz OPCCBLMJGDHMQE-IIBYNOLFSA-N 1 3 355.457 3.929 20 0 FHADHO Fc1ccc(-c2cc(C[N@H+]3CC[C@@H]4[C@H](CCCN4C4CC4)C3)on2)cc1 ZINC000441394364 946548808 /nfs/dbraw/zinc/54/88/08/946548808.db2.gz OPCCBLMJGDHMQE-IIBYNOLFSA-N 1 3 355.457 3.929 20 0 FHADHO CCCN1CCN(c2ccccc2C[N@H+]2CCC[C@](C)(OC)CC2)CC1 ZINC000475570506 946685354 /nfs/dbraw/zinc/68/53/54/946685354.db2.gz SURGQIGOKTUMGU-QFIPXVFZSA-N 1 3 359.558 3.610 20 0 FHADHO CCCN1CCN(c2ccccc2C[N@@H+]2CCC[C@](C)(OC)CC2)CC1 ZINC000475570506 946685345 /nfs/dbraw/zinc/68/53/45/946685345.db2.gz SURGQIGOKTUMGU-QFIPXVFZSA-N 1 3 359.558 3.610 20 0 FHADHO C[C@@H]([NH2+][C@@H]1CCCc2occc21)c1cc(F)ccc1N1CCN(C)CC1 ZINC000192831544 946700102 /nfs/dbraw/zinc/70/01/02/946700102.db2.gz PPCAQZYFTUPYMR-DNVCBOLYSA-N 1 3 357.473 3.899 20 0 FHADHO CC(C)(C)[C@H](N)C(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000663018676 946708240 /nfs/dbraw/zinc/70/82/40/946708240.db2.gz CWHNIMUCWXICLP-UXHICEINSA-N 1 3 371.569 3.509 20 0 FHADHO CCC[NH+]1CCN(c2ccccc2CN2CC[C@@H](C(F)(F)F)[C@@H]2C)CC1 ZINC000475281245 946816850 /nfs/dbraw/zinc/81/68/50/946816850.db2.gz CMMZPCZWJJAEFD-FUHWJXTLSA-N 1 3 369.475 3.991 20 0 FHADHO CCCN1CCN(c2ccccc2C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)CC1 ZINC000475281245 946816863 /nfs/dbraw/zinc/81/68/63/946816863.db2.gz CMMZPCZWJJAEFD-FUHWJXTLSA-N 1 3 369.475 3.991 20 0 FHADHO CCCN1CCN(c2ccccc2C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)CC1 ZINC000475281245 946816880 /nfs/dbraw/zinc/81/68/80/946816880.db2.gz CMMZPCZWJJAEFD-FUHWJXTLSA-N 1 3 369.475 3.991 20 0 FHADHO C[C@@H]([NH2+]CCCCCCC[NH+]1CCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824584841 946831807 /nfs/dbraw/zinc/83/18/07/946831807.db2.gz IFBOHGIPUMTBPX-QGZVFWFLSA-N 1 3 356.518 3.564 20 0 FHADHO C[C@@H]([NH2+]CCCCCCC[NH+]1CCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824584841 946831821 /nfs/dbraw/zinc/83/18/21/946831821.db2.gz IFBOHGIPUMTBPX-QGZVFWFLSA-N 1 3 356.518 3.564 20 0 FHADHO Cc1noc([C@@H]2CCN(C3C[C@@H](C)[NH+](Cc4ccccc4)[C@H](C)C3)C2)n1 ZINC001168064607 947065896 /nfs/dbraw/zinc/06/58/96/947065896.db2.gz QRIFZMCXXRUBGW-GPMSIDNRSA-N 1 3 354.498 3.609 20 0 FHADHO COC(=O)C[C@@H]1CCCN(C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001168065423 947127745 /nfs/dbraw/zinc/12/77/45/947127745.db2.gz VROWRKWIJLJBQG-GGPKGHCWSA-N 1 3 358.526 3.703 20 0 FHADHO C[C@@H]1CC(N2CC[C@H](Oc3ccncc3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168065676 947181851 /nfs/dbraw/zinc/18/18/51/947181851.db2.gz XLCIHCBXVNBMTD-PWHSHALESA-N 1 3 365.521 3.976 20 0 FHADHO O[C@@]1(C[NH2+]C2CCN(C3CCCCC3)CC2)CCC[C@@H](C(F)(F)F)C1 ZINC000188601232 947499174 /nfs/dbraw/zinc/49/91/74/947499174.db2.gz KPWUXFHKTPFGKW-QAPCUYQASA-N 1 3 362.480 3.857 20 0 FHADHO O[C@@]1(CNC2CC[NH+](C3CCCCC3)CC2)CCC[C@@H](C(F)(F)F)C1 ZINC000188601232 947499180 /nfs/dbraw/zinc/49/91/80/947499180.db2.gz KPWUXFHKTPFGKW-QAPCUYQASA-N 1 3 362.480 3.857 20 0 FHADHO C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000520451875 947505090 /nfs/dbraw/zinc/50/50/90/947505090.db2.gz ALWHVJICXIHSRB-XYPHTWIQSA-N 1 3 371.447 3.885 20 0 FHADHO C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000520451875 947505094 /nfs/dbraw/zinc/50/50/94/947505094.db2.gz ALWHVJICXIHSRB-XYPHTWIQSA-N 1 3 371.447 3.885 20 0 FHADHO COc1ccc(OC)c([C@H]2CCCN2Cc2cccc3c2CC[NH2+]C3)c1 ZINC000662249293 947671672 /nfs/dbraw/zinc/67/16/72/947671672.db2.gz SNJOFGKDZPRLRM-OAQYLSRUSA-N 1 3 352.478 3.687 20 0 FHADHO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)N(C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662265084 947683832 /nfs/dbraw/zinc/68/38/32/947683832.db2.gz WATJTVDBSVTNQF-SJLPKXTDSA-N 1 3 371.550 3.941 20 0 FHADHO Cc1ccc(-c2noc([C@H](C)N3CCC[C@@H](C4CC[NH2+]CC4)C3)n2)cc1F ZINC000662296796 947722864 /nfs/dbraw/zinc/72/28/64/947722864.db2.gz NMCNJHLWMFVXSI-MAUKXSAKSA-N 1 3 372.488 3.957 20 0 FHADHO O=C(C[C@@H]1NCc2ccccc21)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000662356426 947768209 /nfs/dbraw/zinc/76/82/09/947768209.db2.gz QHNVEVMWQOQLHS-QFIPXVFZSA-N 1 3 363.505 3.523 20 0 FHADHO Cc1ccc(CNC[C@@H]2CCC[N@H+](CC3CC3)C2)c(-c2cnn(C)c2)c1 ZINC000663344378 947811898 /nfs/dbraw/zinc/81/18/98/947811898.db2.gz SJQDFAWGJBZOLD-IBGZPJMESA-N 1 3 352.526 3.607 20 0 FHADHO Cc1ccc(CNC[C@@H]2CCC[N@@H+](CC3CC3)C2)c(-c2cnn(C)c2)c1 ZINC000663344378 947811904 /nfs/dbraw/zinc/81/19/04/947811904.db2.gz SJQDFAWGJBZOLD-IBGZPJMESA-N 1 3 352.526 3.607 20 0 FHADHO OC[C@]1(NCc2ccc(C[NH+]3CCCCC3)cc2)CCc2ccccc21 ZINC000663355737 947833748 /nfs/dbraw/zinc/83/37/48/947833748.db2.gz DLOHSXCSZUTJKQ-HSZRJFAPSA-N 1 3 350.506 3.596 20 0 FHADHO CN(C(=O)CCNC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccccc1 ZINC000663360430 947850058 /nfs/dbraw/zinc/85/00/58/947850058.db2.gz WNFTXPDZRXBIMX-LAUBAEHRSA-N 1 3 371.550 3.774 20 0 FHADHO CN(C(=O)CCNC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ccccc1 ZINC000663360430 947850063 /nfs/dbraw/zinc/85/00/63/947850063.db2.gz WNFTXPDZRXBIMX-LAUBAEHRSA-N 1 3 371.550 3.774 20 0 FHADHO Cc1cc(CN(C)C)cc(NC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)c1 ZINC000662508800 947876919 /nfs/dbraw/zinc/87/69/19/947876919.db2.gz GABPTHZDDYGYTC-IBGZPJMESA-N 1 3 351.494 3.688 20 0 FHADHO COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H]2CCCN(CC3CC3)C2)cc1OC ZINC000663463653 948049695 /nfs/dbraw/zinc/04/96/95/948049695.db2.gz ASZFHNBNVBCFEL-AOIWGVFYSA-N 1 3 360.542 3.907 20 0 FHADHO Fc1ccc(N2CCC([NH2+]C[C@H]3CCCN(CC4CC4)C3)CC2)c(F)c1 ZINC000663469967 948063995 /nfs/dbraw/zinc/06/39/95/948063995.db2.gz SEJRHKSFVLAGKN-QGZVFWFLSA-N 1 3 363.496 3.645 20 0 FHADHO Fc1ccc(N2CCC([NH2+]C[C@@H]3CCCN(CC4CC4)C3)CC2)c(F)c1 ZINC000663469966 948064784 /nfs/dbraw/zinc/06/47/84/948064784.db2.gz SEJRHKSFVLAGKN-KRWDZBQOSA-N 1 3 363.496 3.645 20 0 FHADHO CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663469840 948065272 /nfs/dbraw/zinc/06/52/72/948065272.db2.gz REACMSBMBVQBIB-PMACEKPBSA-N 1 3 360.542 3.737 20 0 FHADHO COc1cccc(-c2nn(C(C)(C)C)cc2CNCC[C@@H]([NH3+])C(C)C)c1 ZINC000663500478 948119049 /nfs/dbraw/zinc/11/90/49/948119049.db2.gz SXRQGNIPPADWCE-LJQANCHMSA-N 1 3 358.530 3.777 20 0 FHADHO CCN(CC)[C@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1)c1ccsc1 ZINC000520515763 948218127 /nfs/dbraw/zinc/21/81/27/948218127.db2.gz DSCIQZMNIWYOOH-MOPGFXCFSA-N 1 3 365.587 3.758 20 0 FHADHO CC[C@H]1CN(Cc2ccccc2)CCN1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001168004198 948347903 /nfs/dbraw/zinc/34/79/03/948347903.db2.gz RPOYLZLFMTUTIJ-CYZFVCCVSA-N 1 3 367.581 3.988 20 0 FHADHO CC[C@H]1CN(Cc2ccccc2)CCN1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001168004198 948347912 /nfs/dbraw/zinc/34/79/12/948347912.db2.gz RPOYLZLFMTUTIJ-CYZFVCCVSA-N 1 3 367.581 3.988 20 0 FHADHO C[C@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(-c2ccncc2)cc1 ZINC000432412106 948359979 /nfs/dbraw/zinc/35/99/79/948359979.db2.gz AGSYEOLVKZYVOU-OALUTQOASA-N 1 3 353.510 3.900 20 0 FHADHO C[C@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(-c2ccncc2)cc1 ZINC000432412106 948359985 /nfs/dbraw/zinc/35/99/85/948359985.db2.gz AGSYEOLVKZYVOU-OALUTQOASA-N 1 3 353.510 3.900 20 0 FHADHO C[C@@H]1C[N@H+](CCCN[C@@H]2CCc3ccc(OC(F)(F)F)cc32)CCCO1 ZINC000432441096 948434159 /nfs/dbraw/zinc/43/41/59/948434159.db2.gz JONUQWJOUWUXER-RDTXWAMCSA-N 1 3 372.431 3.663 20 0 FHADHO C[C@@H]1C[N@@H+](CCCN[C@@H]2CCc3ccc(OC(F)(F)F)cc32)CCCO1 ZINC000432441096 948434166 /nfs/dbraw/zinc/43/41/66/948434166.db2.gz JONUQWJOUWUXER-RDTXWAMCSA-N 1 3 372.431 3.663 20 0 FHADHO CN(c1ccccc1CN1CCC[C@H](OCC2CC2)C1)C1CC[NH+](C)CC1 ZINC000428402885 948812988 /nfs/dbraw/zinc/81/29/88/948812988.db2.gz PNPQABJUGBGJSC-QFIPXVFZSA-N 1 3 371.569 3.608 20 0 FHADHO FC(F)(F)c1ccc(-c2n[nH]cc2CN2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000521436013 568016507 /nfs/dbraw/zinc/01/65/07/568016507.db2.gz JKZYFCJEJKFROK-GASCZTMLSA-N 1 3 364.415 3.527 20 0 FHADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cccc(OC(F)(F)F)c2)[C@@H](C)C1 ZINC000604418123 568276145 /nfs/dbraw/zinc/27/61/45/568276145.db2.gz HVYGZBDZZBGYSD-MAUKXSAKSA-N 1 3 374.447 3.812 20 0 FHADHO CCCN1CCN(c2ccccc2C[N@@H+]2CCC[C@H](CSC)C2)CC1 ZINC000430199852 927940665 /nfs/dbraw/zinc/94/06/65/927940665.db2.gz VIYDUFXISXSYGJ-IBGZPJMESA-N 1 3 361.599 3.794 20 0 FHADHO CCCN1CCN(c2ccccc2C[N@H+]2CCC[C@H](CSC)C2)CC1 ZINC000430199852 927940666 /nfs/dbraw/zinc/94/06/66/927940666.db2.gz VIYDUFXISXSYGJ-IBGZPJMESA-N 1 3 361.599 3.794 20 0 FHADHO CCN1CCC(C[NH+]2CCC(C(=O)c3cnc4ccccc4c3)CC2)CC1 ZINC001208603627 928231204 /nfs/dbraw/zinc/23/12/04/928231204.db2.gz GHBBQVDPWLLQLO-UHFFFAOYSA-N 1 3 365.521 3.861 20 0 FHADHO CC(C)[N@H+](C)Cc1ccccc1CN[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000154882529 929448257 /nfs/dbraw/zinc/44/82/57/929448257.db2.gz MYOZYXIOLPIAET-GOSISDBHSA-N 1 3 363.509 3.958 20 0 FHADHO CC(C)[N@@H+](C)Cc1ccccc1CN[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000154882529 929448261 /nfs/dbraw/zinc/44/82/61/929448261.db2.gz MYOZYXIOLPIAET-GOSISDBHSA-N 1 3 363.509 3.958 20 0 FHADHO Cc1nc2ccc(Br)cc2c(NC[C@@H]2CC[N@@H+](C3CC3)C2)c1C ZINC000580022827 929914176 /nfs/dbraw/zinc/91/41/76/929914176.db2.gz UQHXONVIAVSUOA-AWEZNQCLSA-N 1 3 374.326 3.932 20 0 FHADHO Cc1nc2ccc(Br)cc2c(NC[C@@H]2CC[N@H+](C3CC3)C2)c1C ZINC000580022827 929914183 /nfs/dbraw/zinc/91/41/83/929914183.db2.gz UQHXONVIAVSUOA-AWEZNQCLSA-N 1 3 374.326 3.932 20 0 FHADHO C[NH+](C)CCOc1ccc(CN2CCC(OC3CCCCC3)CC2)cc1 ZINC000092735978 937382226 /nfs/dbraw/zinc/38/22/26/937382226.db2.gz GNHXOGWNZGBIIL-UHFFFAOYSA-N 1 3 360.542 3.941 20 0 FHADHO Cc1ccc([C@H](CCn2cncn2)[NH2+]C2CCN(C3CCCC3)CC2)cc1 ZINC000275811790 930420155 /nfs/dbraw/zinc/42/01/55/930420155.db2.gz FFIZKTWMBUTGNU-QFIPXVFZSA-N 1 3 367.541 3.715 20 0 FHADHO COc1ccc([C@@H](C)NCc2ccc(OCC[NH+]3CCCC3)cc2)cc1O ZINC000580368191 930580694 /nfs/dbraw/zinc/58/06/94/930580694.db2.gz DJGPGSOULCAZTI-QGZVFWFLSA-N 1 3 370.493 3.726 20 0 FHADHO C[C@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)c1ccc(NC2=NCCC2)cc1 ZINC001167393471 930627820 /nfs/dbraw/zinc/62/78/20/930627820.db2.gz TXJHSXZUHCXIEK-LPHOPBHVSA-N 1 3 356.514 3.626 20 0 FHADHO c1ccc(C[N@@H+]2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2CCCc2ccncc2)cc1 ZINC000656403640 931592258 /nfs/dbraw/zinc/59/22/58/931592258.db2.gz BUAXKVMBZUCQNZ-XQUALCHDSA-N 1 3 361.533 3.857 20 0 FHADHO c1ccc(C[N@H+]2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2CCCc2ccncc2)cc1 ZINC000656403640 931592263 /nfs/dbraw/zinc/59/22/63/931592263.db2.gz BUAXKVMBZUCQNZ-XQUALCHDSA-N 1 3 361.533 3.857 20 0 FHADHO CC(C)Oc1ccc(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000548155924 931692677 /nfs/dbraw/zinc/69/26/77/931692677.db2.gz JWKKYRVWVHBIEF-NQIIRXRSSA-N 1 3 353.510 3.869 20 0 FHADHO CC[NH2+]CC1CCN([C@H](C)C(=O)N[C@H](C)c2ccc3ccccc3c2)CC1 ZINC000430578433 931936136 /nfs/dbraw/zinc/93/61/36/931936136.db2.gz PFYRLTRHCWPULL-QZTJIDSGSA-N 1 3 367.537 3.727 20 0 FHADHO CC[NH2+]CC1CCN([C@H](C)C(=O)N[C@@H](C)c2cccc3ccccc32)CC1 ZINC000430583281 931957366 /nfs/dbraw/zinc/95/73/66/931957366.db2.gz XJMGZMULRUZDDW-ZWKOTPCHSA-N 1 3 367.537 3.727 20 0 FHADHO C[C@H](NCc1ccc(F)c(C[NH+](C)C)c1)c1ccc(Br)cn1 ZINC000581523303 932205089 /nfs/dbraw/zinc/20/50/89/932205089.db2.gz CEICYGUOXIHUQY-LBPRGKRZSA-N 1 3 366.278 3.896 20 0 FHADHO COc1c(Br)cccc1CN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656783794 932419998 /nfs/dbraw/zinc/41/99/98/932419998.db2.gz UKZMBSQTRJZUOW-HNNXBMFYSA-N 1 3 367.331 3.669 20 0 FHADHO C[N@H+](Cc1ccccc1)CC(C)(C)CNc1ccc([C@@H]2CNCCO2)cc1 ZINC000656792324 932424986 /nfs/dbraw/zinc/42/49/86/932424986.db2.gz KAYYRQKCIRFZNQ-QFIPXVFZSA-N 1 3 367.537 3.918 20 0 FHADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CNc1ccc([C@@H]2CNCCO2)cc1 ZINC000656792324 932424990 /nfs/dbraw/zinc/42/49/90/932424990.db2.gz KAYYRQKCIRFZNQ-QFIPXVFZSA-N 1 3 367.537 3.918 20 0 FHADHO C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)N[C@@H](C[NH3+])C1CCCC1 ZINC000581713887 932546106 /nfs/dbraw/zinc/54/61/06/932546106.db2.gz ZHYZYEGXILNPHL-LRDDRELGSA-N 1 3 357.420 3.530 20 0 FHADHO CN1Cc2ccccc2[C@H]([NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)C1 ZINC000647196773 932946088 /nfs/dbraw/zinc/94/60/88/932946088.db2.gz MJUILZRKNKFFAM-JTHBVZDNSA-N 1 3 361.533 3.960 20 0 FHADHO C[C@H]1C[C@H]([NH2+]C2CCN([C@H]3CCC[C@@H]3O)CC2)c2ccsc2S1 ZINC000537958626 934823596 /nfs/dbraw/zinc/82/35/96/934823596.db2.gz BLVFTULDRLUOTG-STECZYCISA-N 1 3 352.569 3.641 20 0 FHADHO Cc1ccc(CNCc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)cc1 ZINC000102781544 934892466 /nfs/dbraw/zinc/89/24/66/934892466.db2.gz DUVKJHOMAWUKHR-UHFFFAOYSA-N 1 3 368.521 3.774 20 0 FHADHO Cc1ccc(CNCc2cccc(OCC[N@H+](C)C3CCOCC3)c2)cc1 ZINC000102781544 934892472 /nfs/dbraw/zinc/89/24/72/934892472.db2.gz DUVKJHOMAWUKHR-UHFFFAOYSA-N 1 3 368.521 3.774 20 0 FHADHO c1cc(CNCc2ccc(O[C@@H]3CCOC3)cc2)cc(C[NH+]2CCCC2)c1 ZINC000657301032 935023751 /nfs/dbraw/zinc/02/37/51/935023751.db2.gz YORFCLYNJZYIJP-HSZRJFAPSA-N 1 3 366.505 3.740 20 0 FHADHO COC[C@@H](C)Oc1ccc(CNCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000657300689 935024972 /nfs/dbraw/zinc/02/49/72/935024972.db2.gz SPEDYAUQFRFEHA-LJQANCHMSA-N 1 3 368.521 3.986 20 0 FHADHO COc1cc(CN2CCC(CC[NH3+])CC2)ccc1OCc1cccs1 ZINC000563231062 935164227 /nfs/dbraw/zinc/16/42/27/935164227.db2.gz ZPGVTPQBEPEQCQ-UHFFFAOYSA-N 1 3 360.523 3.897 20 0 FHADHO COc1ccc(Br)c(CN2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC000582365249 935571983 /nfs/dbraw/zinc/57/19/83/935571983.db2.gz OIPUFZFPLCWDHX-HNNXBMFYSA-N 1 3 367.331 3.621 20 0 FHADHO COCCCN1CCC([NH2+][C@@H](C)c2ccc(F)cc2OC(F)F)CC1 ZINC000159215440 935814474 /nfs/dbraw/zinc/81/44/74/935814474.db2.gz YLBZQHWLUIAQCH-ZDUSSCGKSA-N 1 3 360.420 3.579 20 0 FHADHO CC[NH+](CC)CCOC1CCN(CCSc2ccccc2F)CC1 ZINC000075007805 936002953 /nfs/dbraw/zinc/00/29/53/936002953.db2.gz BZTHHHQMOIOQEV-UHFFFAOYSA-N 1 3 354.535 3.741 20 0 FHADHO CN1CCC(O)(C[NH2+]Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC000077450377 936051405 /nfs/dbraw/zinc/05/14/05/936051405.db2.gz VEXJCIAAQRWEKO-UHFFFAOYSA-N 1 3 350.915 3.615 20 0 FHADHO CN1CCC(O)(C[NH2+]Cc2ccc(-c3ccc(Cl)cc3)s2)CC1 ZINC000077450536 936051467 /nfs/dbraw/zinc/05/14/67/936051467.db2.gz XNMYZHTYVDIVLD-UHFFFAOYSA-N 1 3 350.915 3.615 20 0 FHADHO c1csc(-c2n[nH]cc2C[NH2+]CC2CCN(Cc3ccncc3)CC2)c1 ZINC000657612242 936091900 /nfs/dbraw/zinc/09/19/00/936091900.db2.gz KDHLEJGDEYMGQY-UHFFFAOYSA-N 1 3 367.522 3.535 20 0 FHADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(Cc3ccc(OC(F)F)c(Cl)c3)C2)C1 ZINC000650707175 938289105 /nfs/dbraw/zinc/28/91/05/938289105.db2.gz ZZQWVGHWNVABSF-CKEIUWERSA-N 1 3 374.859 3.660 20 0 FHADHO CC(C)(C(=O)NC[C@H](c1ccccc1)N1CCCC1)[C@@H]([NH3+])c1ccccc1 ZINC000583690179 938359281 /nfs/dbraw/zinc/35/92/81/938359281.db2.gz HNUJANCZIHRYBA-RTWAWAEBSA-N 1 3 365.521 3.666 20 0 FHADHO CC[C@H](OCCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000650741692 938362813 /nfs/dbraw/zinc/36/28/13/938362813.db2.gz JQGZJGOIIZJVED-QNWVGRARSA-N 1 3 366.505 4.000 20 0 FHADHO Brc1cc2cccnc2c(CN2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000583756350 938391886 /nfs/dbraw/zinc/39/18/86/938391886.db2.gz ZXDDPEGFDOMNLR-SFHVURJKSA-N 1 3 374.326 3.961 20 0 FHADHO C[C@@H](c1ccccc1)[C@@H](O)C[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000516714360 945177829 /nfs/dbraw/zinc/17/78/29/945177829.db2.gz LEDVSNXYRZMCOT-ZZTDLJEGSA-N 1 3 352.522 3.651 20 0 FHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cccc(OC(C)C)c3)CC2)CC1 ZINC000563819695 938500189 /nfs/dbraw/zinc/50/01/89/938500189.db2.gz NYTITJZHPODRSC-UHFFFAOYSA-N 1 3 373.541 3.609 20 0 FHADHO C[C@@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc(Br)s1 ZINC000132836744 938543966 /nfs/dbraw/zinc/54/39/66/938543966.db2.gz LFRUDTRAQMMISZ-CHWSQXEVSA-N 1 3 373.360 3.662 20 0 FHADHO COc1cc([C@@H](C)[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)ccc1SC ZINC000133060142 938557395 /nfs/dbraw/zinc/55/73/95/938557395.db2.gz XFJLUJZKCJYWMZ-CVEARBPZSA-N 1 3 364.555 3.569 20 0 FHADHO Cc1ccc(OC[C@H](O)CNC2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc1 ZINC000584346558 938694265 /nfs/dbraw/zinc/69/42/65/938694265.db2.gz PYPKIZGSIATXOM-SIKLNZKXSA-N 1 3 368.521 3.550 20 0 FHADHO C[C@H]1C[C@@H](NCCNC(=O)CC2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000089666748 938862491 /nfs/dbraw/zinc/86/24/91/938862491.db2.gz ZYESLCLQTNUCME-UGKGYDQZSA-N 1 3 371.569 3.716 20 0 FHADHO C[C@H]1C[C@@H](NCCNC(=O)CC2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000089666748 938862494 /nfs/dbraw/zinc/86/24/94/938862494.db2.gz ZYESLCLQTNUCME-UGKGYDQZSA-N 1 3 371.569 3.716 20 0 FHADHO C[C@H]([NH2+]Cc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(F)cn1 ZINC000092737874 938918911 /nfs/dbraw/zinc/91/89/11/938918911.db2.gz XUTRDEUGNFIUNK-BBWFWOEESA-N 1 3 357.473 3.681 20 0 FHADHO C[C@@H]1C[N@@H+](CC2CCN(Cc3ccccc3OC3CC3)CC2)C[C@H](C)O1 ZINC000685417572 938985094 /nfs/dbraw/zinc/98/50/94/938985094.db2.gz VLJQXQZDYDDVBS-HDICACEKSA-N 1 3 358.526 3.549 20 0 FHADHO C[C@@H]1C[N@H+](CC2CCN(Cc3ccccc3OC3CC3)CC2)C[C@H](C)O1 ZINC000685417572 938985095 /nfs/dbraw/zinc/98/50/95/938985095.db2.gz VLJQXQZDYDDVBS-HDICACEKSA-N 1 3 358.526 3.549 20 0 FHADHO CC[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000658004352 939018506 /nfs/dbraw/zinc/01/85/06/939018506.db2.gz YLGLGWYNWOZEEH-SFHVURJKSA-N 1 3 371.491 3.642 20 0 FHADHO c1ccc(CN2C[C@H](C[NH2+][C@H]3CCCSCC3)C3(C2)CCOCC3)cc1 ZINC000658023064 939019159 /nfs/dbraw/zinc/01/91/59/939019159.db2.gz IWVOLJKASZFJOQ-SFTDATJTSA-N 1 3 374.594 3.791 20 0 FHADHO c1ccc(CN2C[C@H](C[NH2+][C@@H]3CCCSCC3)C3(C2)CCOCC3)cc1 ZINC000658023061 939019186 /nfs/dbraw/zinc/01/91/86/939019186.db2.gz IWVOLJKASZFJOQ-LEWJYISDSA-N 1 3 374.594 3.791 20 0 FHADHO CC(C)C[C@H](NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccccn1 ZINC000658136731 939030883 /nfs/dbraw/zinc/03/08/83/939030883.db2.gz FAHCWEMKQMNHMM-IRLDBZIGSA-N 1 3 353.510 3.525 20 0 FHADHO CC(C)C[C@H](NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccccn1 ZINC000658136731 939030889 /nfs/dbraw/zinc/03/08/89/939030889.db2.gz FAHCWEMKQMNHMM-IRLDBZIGSA-N 1 3 353.510 3.525 20 0 FHADHO COc1ccc2c(c1F)CC[C@H]2[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658163945 939052192 /nfs/dbraw/zinc/05/21/92/939052192.db2.gz CAXBUYUSLJOIHZ-HXUWFJFHSA-N 1 3 369.484 3.718 20 0 FHADHO CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658163732 939052263 /nfs/dbraw/zinc/05/22/63/939052263.db2.gz AJRBLZMCSGNIIZ-PGRDOPGGSA-N 1 3 353.510 3.659 20 0 FHADHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccc2c(c1)COC2 ZINC000658165296 939053126 /nfs/dbraw/zinc/05/31/26/939053126.db2.gz IIDANGBSGGSCTP-QGZVFWFLSA-N 1 3 351.494 3.675 20 0 FHADHO CC(C)CO[C@H]1C[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C1(C)C ZINC000658165324 939053667 /nfs/dbraw/zinc/05/36/67/939053667.db2.gz ILTRZGCBOVEZCV-RTWAWAEBSA-N 1 3 359.558 3.723 20 0 FHADHO Fc1cncc([C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C2CC2)c1 ZINC000658166823 939053738 /nfs/dbraw/zinc/05/37/38/939053738.db2.gz PKDZJWPBRVPRHS-OAQYLSRUSA-N 1 3 354.473 3.569 20 0 FHADHO COc1ccc2c(c1)CCC[C@H]2[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658167434 939055119 /nfs/dbraw/zinc/05/51/19/939055119.db2.gz SEBLDJWXGXSRBN-HSZRJFAPSA-N 1 3 365.521 3.969 20 0 FHADHO c1ccc2c(c1)CCSC[C@H]2[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658168892 939055595 /nfs/dbraw/zinc/05/55/95/939055595.db2.gz ZYKWMPMATPCUJE-JOCHJYFZSA-N 1 3 367.562 3.914 20 0 FHADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@H]3CCC[C@H]3Cc3cnn(C)c3)CC2)C1 ZINC000658237702 939079180 /nfs/dbraw/zinc/07/91/80/939079180.db2.gz YXSOHXRLQMDMMK-HQMSXXKGSA-N 1 3 358.574 3.764 20 0 FHADHO CC[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2)c1cnn(C)c1 ZINC000658319976 939110346 /nfs/dbraw/zinc/11/03/46/939110346.db2.gz KUAZZBGTDSIHRK-RTWAWAEBSA-N 1 3 352.526 3.763 20 0 FHADHO CC[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2)c1cnn(C)c1 ZINC000658319978 939110537 /nfs/dbraw/zinc/11/05/37/939110537.db2.gz KUAZZBGTDSIHRK-SFTDATJTSA-N 1 3 352.526 3.763 20 0 FHADHO c1cnn([C@H]2CCCC[C@H]2[NH2+][C@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)c1 ZINC000507499279 945269197 /nfs/dbraw/zinc/26/91/97/945269197.db2.gz YIQPLLOXPVGEHP-BFRACDOUSA-N 1 3 364.537 3.867 20 0 FHADHO CC(C)(C)OC(=O)CCC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000507487531 945274513 /nfs/dbraw/zinc/27/45/13/945274513.db2.gz RIRRBEAABZPHKY-SLFFLAALSA-N 1 3 358.526 3.609 20 0 FHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(C[S@](C)=O)cc1 ZINC000376114712 940330889 /nfs/dbraw/zinc/33/08/89/940330889.db2.gz MMTWYQSIBNSFNW-HYWYFEKYSA-N 1 3 370.562 3.565 20 0 FHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(C[S@](C)=O)cc1 ZINC000376114712 940330894 /nfs/dbraw/zinc/33/08/94/940330894.db2.gz MMTWYQSIBNSFNW-HYWYFEKYSA-N 1 3 370.562 3.565 20 0 FHADHO CCN1CCN(CCC[NH2+][C@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000414058828 940467684 /nfs/dbraw/zinc/46/76/84/940467684.db2.gz HWXLDDURBBSGDK-CTNGQTDRSA-N 1 3 363.977 3.983 20 0 FHADHO C[C@H](NCC[C@@H]1CCC[N@H+](C)C1)c1ccccc1I ZINC000414184866 940726649 /nfs/dbraw/zinc/72/66/49/940726649.db2.gz OOZLWACMNMDXKO-KBPBESRZSA-N 1 3 372.294 3.674 20 0 FHADHO C[C@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1ccccc1I ZINC000414184866 940726652 /nfs/dbraw/zinc/72/66/52/940726652.db2.gz OOZLWACMNMDXKO-KBPBESRZSA-N 1 3 372.294 3.674 20 0 FHADHO CCC[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1ccccn1 ZINC000414311779 940943923 /nfs/dbraw/zinc/94/39/23/940943923.db2.gz VJRWUFQXMBGQDU-FQEVSTJZSA-N 1 3 353.510 3.540 20 0 FHADHO Fc1cccc(F)c1-c1n[nH]cc1CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543931 941065693 /nfs/dbraw/zinc/06/56/93/941065693.db2.gz UOOJACRIVKOPFB-HUUCEWRRSA-N 1 3 360.452 3.567 20 0 FHADHO COc1ccc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(OC(F)F)c1 ZINC000647544063 941066060 /nfs/dbraw/zinc/06/60/60/941066060.db2.gz VYOCZKCJTQPFEO-HUUCEWRRSA-N 1 3 354.441 3.508 20 0 FHADHO CCC(CC)C(=O)N1CCC([NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000166026877 941211695 /nfs/dbraw/zinc/21/16/95/941211695.db2.gz SNYSKQNPLVZDPW-UHFFFAOYSA-N 1 3 363.590 3.800 20 0 FHADHO O[C@H](C[NH2+]C[C@H]1CCCN(Cc2ccccc2)C1)c1c(F)cccc1F ZINC000311498794 941314695 /nfs/dbraw/zinc/31/46/95/941314695.db2.gz LGKZMQKDUOJQHR-YLJYHZDGSA-N 1 3 360.448 3.500 20 0 FHADHO [NH3+]C[C@@H]1CC[C@H](NCc2csc(-c3cccc(Br)c3)n2)C1 ZINC000415035066 941558637 /nfs/dbraw/zinc/55/86/37/941558637.db2.gz KKYWSPINNXHCGP-RISCZKNCSA-N 1 3 366.328 3.790 20 0 FHADHO Cc1nn2c(CN[C@@H](CCC[NH3+])c3ccccc3)c(C(C)C)nc2s1 ZINC000415059019 941571344 /nfs/dbraw/zinc/57/13/44/941571344.db2.gz UJZMFIUJJPGAEE-INIZCTEOSA-N 1 3 357.527 3.792 20 0 FHADHO Cc1nn2c(CN[C@H](CCC[NH3+])c3ccccc3)c(C(C)C)nc2s1 ZINC000415059023 941571584 /nfs/dbraw/zinc/57/15/84/941571584.db2.gz UJZMFIUJJPGAEE-MRXNPFEDSA-N 1 3 357.527 3.792 20 0 FHADHO COc1cccc([C@@H](NCC2CC[NH2+]CC2)c2cc(F)ccc2OC)c1 ZINC000415082396 941592579 /nfs/dbraw/zinc/59/25/79/941592579.db2.gz LRCUWLSTIWZIPI-OAQYLSRUSA-N 1 3 358.457 3.522 20 0 FHADHO COc1cc(CN2CC[C@@H](C)[C@H](C[NH3+])C2)c(-c2ccccc2)cc1OC ZINC000415122820 941619072 /nfs/dbraw/zinc/61/90/72/941619072.db2.gz ISBPKYXSLJGHMX-VQIMIIECSA-N 1 3 354.494 3.788 20 0 FHADHO CCC[N@H+](CC)CCNC1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000513330252 941855861 /nfs/dbraw/zinc/85/58/61/941855861.db2.gz KMNKOFUGJBGPPR-UHFFFAOYSA-N 1 3 355.929 3.765 20 0 FHADHO CCC[N@@H+](CC)CCNC1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000513330252 941855870 /nfs/dbraw/zinc/85/58/70/941855870.db2.gz KMNKOFUGJBGPPR-UHFFFAOYSA-N 1 3 355.929 3.765 20 0 FHADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(CC[C@H]2CCc3ccccc32)CC1 ZINC000659862941 941954098 /nfs/dbraw/zinc/95/40/98/941954098.db2.gz GDSMTEWHIOGCNR-RZUBCFFCSA-N 1 3 355.570 3.597 20 0 FHADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(CC[C@H]2CCc3ccccc32)CC1 ZINC000659862941 941954100 /nfs/dbraw/zinc/95/41/00/941954100.db2.gz GDSMTEWHIOGCNR-RZUBCFFCSA-N 1 3 355.570 3.597 20 0 FHADHO CCOc1cccc(CNCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)n1 ZINC000513510281 941971898 /nfs/dbraw/zinc/97/18/98/941971898.db2.gz AWVLQYFUFFCFAP-AZUAARDMSA-N 1 3 353.510 3.871 20 0 FHADHO CCOc1cccc(CNCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000513510281 941971902 /nfs/dbraw/zinc/97/19/02/941971902.db2.gz AWVLQYFUFFCFAP-AZUAARDMSA-N 1 3 353.510 3.871 20 0 FHADHO C[C@@H]1C[C@@H](CCNCc2nc3ccccc3n2C)C[N@@H+]1Cc1ccccc1 ZINC000513543934 942004571 /nfs/dbraw/zinc/00/45/71/942004571.db2.gz BCIIBOSDGFFBEP-UYAOXDASSA-N 1 3 362.521 3.964 20 0 FHADHO C[C@@H]1C[C@@H](CCNCc2nc3ccccc3n2C)C[N@H+]1Cc1ccccc1 ZINC000513543934 942004572 /nfs/dbraw/zinc/00/45/72/942004572.db2.gz BCIIBOSDGFFBEP-UYAOXDASSA-N 1 3 362.521 3.964 20 0 FHADHO CC[N@@H+]1CCC[C@@H](CN(C)Cc2cc(F)ccc2C)[C@@H]1c1cnn(C)c1 ZINC000434021050 942043514 /nfs/dbraw/zinc/04/35/14/942043514.db2.gz JQGSSYXGLVEEFJ-LAUBAEHRSA-N 1 3 358.505 3.773 20 0 FHADHO CC[N@H+]1CCC[C@@H](CN(C)Cc2cc(F)ccc2C)[C@@H]1c1cnn(C)c1 ZINC000434021050 942043517 /nfs/dbraw/zinc/04/35/17/942043517.db2.gz JQGSSYXGLVEEFJ-LAUBAEHRSA-N 1 3 358.505 3.773 20 0 FHADHO CC[NH2+]Cc1ccccc1NC(=O)NC[C@H](N[C@H](C)CC)c1ccco1 ZINC000415933014 942158404 /nfs/dbraw/zinc/15/84/04/942158404.db2.gz PCFULFBGHRTTMU-QAPCUYQASA-N 1 3 358.486 3.640 20 0 FHADHO CC[NH2+]Cc1ccccc1NC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000415962222 942201184 /nfs/dbraw/zinc/20/11/84/942201184.db2.gz WWOSZLIPAPVHMI-UHFFFAOYSA-N 1 3 372.488 3.531 20 0 FHADHO C[NH2+]Cc1ccc(NC(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)cc1 ZINC000415977445 942220145 /nfs/dbraw/zinc/22/01/45/942220145.db2.gz YHOGFQDYLGCPHB-GOSISDBHSA-N 1 3 366.509 3.534 20 0 FHADHO C/C(=C/c1ccccc1C(F)(F)F)C[NH2+]C[C@H](O)CN1CCC(C)CC1 ZINC000501475625 942501665 /nfs/dbraw/zinc/50/16/65/942501665.db2.gz JVAADTFUPRKBJB-QMJOVRGKSA-N 1 3 370.459 3.791 20 0 FHADHO CN(C)Cc1cccc(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)c1 ZINC000607383563 942596778 /nfs/dbraw/zinc/59/67/78/942596778.db2.gz XFOCACDECLPNNX-UHFFFAOYSA-N 1 3 357.542 3.667 20 0 FHADHO Cc1ccc(-c2noc([C@H](C)N3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)n2)cc1F ZINC000420341986 942624747 /nfs/dbraw/zinc/62/47/47/942624747.db2.gz PDDWUEOLQAUESH-USXIJHARSA-N 1 3 358.461 3.567 20 0 FHADHO Cc1ccc(-c2noc([C@H](C)N3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)n2)cc1F ZINC000420341984 942625119 /nfs/dbraw/zinc/62/51/19/942625119.db2.gz PDDWUEOLQAUESH-BHYGNILZSA-N 1 3 358.461 3.567 20 0 FHADHO Cc1ccc(-c2noc(CCCN3CCCC[C@H]3[C@H]3CC[NH2+]C3)n2)cc1F ZINC000420379982 942647515 /nfs/dbraw/zinc/64/75/15/942647515.db2.gz BXYSNNKTUUADKT-HKUYNNGSSA-N 1 3 372.488 3.581 20 0 FHADHO Cn1nc(CCC[N@@H+](C)CC[C@H]2CCCN2C)cc1-c1ccc(F)cc1 ZINC000502683051 942657214 /nfs/dbraw/zinc/65/72/14/942657214.db2.gz LSIPGLVBJFOVHZ-HXUWFJFHSA-N 1 3 358.505 3.575 20 0 FHADHO Cn1nc(CCC[N@H+](C)CC[C@H]2CCCN2C)cc1-c1ccc(F)cc1 ZINC000502683051 942657219 /nfs/dbraw/zinc/65/72/19/942657219.db2.gz LSIPGLVBJFOVHZ-HXUWFJFHSA-N 1 3 358.505 3.575 20 0 FHADHO CC[N@H+](Cc1ccc(C(=O)NC[C@H]2CCCCN2C2CC2)cc1)C(C)C ZINC000434420711 942663218 /nfs/dbraw/zinc/66/32/18/942663218.db2.gz RXMXAYOQTSRDLO-OAQYLSRUSA-N 1 3 357.542 3.664 20 0 FHADHO CC[N@@H+](Cc1ccc(C(=O)NC[C@H]2CCCCN2C2CC2)cc1)C(C)C ZINC000434420711 942663222 /nfs/dbraw/zinc/66/32/22/942663222.db2.gz RXMXAYOQTSRDLO-OAQYLSRUSA-N 1 3 357.542 3.664 20 0 FHADHO CCN(C(=O)[C@@H](C)N1CCC(CCC[NH+](C)C)CC1)C1CCCCC1 ZINC000501786577 942672348 /nfs/dbraw/zinc/67/23/48/942672348.db2.gz SIYRIYKOJCZOIC-GOSISDBHSA-N 1 3 351.579 3.610 20 0 FHADHO C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CC1(N)CCCCC1 ZINC000414848822 942818044 /nfs/dbraw/zinc/81/80/44/942818044.db2.gz WOICHLMPEIAAJM-ZDUSSCGKSA-N 1 3 373.419 3.554 20 0 FHADHO CC[NH+]1CCN(Cc2ccc(CN[C@@H](C)c3ccncc3Cl)cc2)CC1 ZINC000421821833 942832205 /nfs/dbraw/zinc/83/22/05/942832205.db2.gz UKUVPVUDSMXHLJ-KRWDZBQOSA-N 1 3 372.944 3.723 20 0 FHADHO CCCN1CCN(c2ccccc2C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)CC1 ZINC000430110458 942922204 /nfs/dbraw/zinc/92/22/04/942922204.db2.gz YRLXEDRVFAYFEP-UXHICEINSA-N 1 3 363.496 3.696 20 0 FHADHO CCCN1CCN(c2ccccc2C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)CC1 ZINC000430110458 942922210 /nfs/dbraw/zinc/92/22/10/942922210.db2.gz YRLXEDRVFAYFEP-UXHICEINSA-N 1 3 363.496 3.696 20 0 FHADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)N[C@@H](C[NH3+])C1CCCCC1 ZINC000414856960 943030426 /nfs/dbraw/zinc/03/04/26/943030426.db2.gz ZUIXSCCSMNZERH-DYVFJYSZSA-N 1 3 367.921 3.563 20 0 FHADHO C[C@H](NC(=O)c1ccc(Nc2ccncc2)cc1)[C@H](c1ccccc1)[NH+](C)C ZINC000505573433 943057694 /nfs/dbraw/zinc/05/76/94/943057694.db2.gz BTGHUHRLRLJTBV-HTAPYJJXSA-N 1 3 374.488 3.668 20 0 FHADHO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CC1(N)CCCCCC1 ZINC000414863043 943089704 /nfs/dbraw/zinc/08/97/04/943089704.db2.gz WQLIFMNWNHHGGI-INIZCTEOSA-N 1 3 365.949 3.718 20 0 FHADHO C[C@H]1C[C@H](C[NH3+])CN1Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000414655588 943111356 /nfs/dbraw/zinc/11/13/56/943111356.db2.gz DIBXEDFIUQTNRA-AZUAARDMSA-N 1 3 360.505 3.768 20 0 FHADHO Cc1nc(COc2ccc(C[N@H+]3CC[C@@]4(CCN(C)C4)C3)cc2)cs1 ZINC000430135718 943213690 /nfs/dbraw/zinc/21/36/90/943213690.db2.gz UJKKUCFAKXNWFC-HXUWFJFHSA-N 1 3 357.523 3.558 20 0 FHADHO Cc1nc(COc2ccc(C[N@@H+]3CC[C@@]4(CCN(C)C4)C3)cc2)cs1 ZINC000430135718 943213696 /nfs/dbraw/zinc/21/36/96/943213696.db2.gz UJKKUCFAKXNWFC-HXUWFJFHSA-N 1 3 357.523 3.558 20 0 FHADHO C[C@@H]1C[C@H](C)[N@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C[C@H]1CN ZINC000422636178 943216007 /nfs/dbraw/zinc/21/60/07/943216007.db2.gz MOCKVJNSPDNZFR-WSTZPKSXSA-N 1 3 365.521 3.987 20 0 FHADHO C[C@@H]1C[C@H](C)[N@@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C[C@H]1CN ZINC000422636178 943216012 /nfs/dbraw/zinc/21/60/12/943216012.db2.gz MOCKVJNSPDNZFR-WSTZPKSXSA-N 1 3 365.521 3.987 20 0 FHADHO C[C@@H]1C[C@H](C)N(CCC(=O)Nc2ccccc2-c2ccccc2)C[C@H]1C[NH3+] ZINC000422636178 943216016 /nfs/dbraw/zinc/21/60/16/943216016.db2.gz MOCKVJNSPDNZFR-WSTZPKSXSA-N 1 3 365.521 3.987 20 0 FHADHO O[C@@H](CN1CCC(C[NH+]2CCCC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000047968229 943236933 /nfs/dbraw/zinc/23/69/33/943236933.db2.gz XYFNHAVTTGLAHO-SFHVURJKSA-N 1 3 356.432 3.547 20 0 FHADHO N[C@@H]1C[C@@H]([NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)c2ccccc21 ZINC000422699790 943237906 /nfs/dbraw/zinc/23/79/06/943237906.db2.gz BARWHGMEOKXRLH-NHCUHLMSSA-N 1 3 357.448 3.664 20 0 FHADHO [NH3+][C@@H]1C[C@@H](NC2CCN(Cc3ccc(F)c(F)c3)CC2)c2ccccc21 ZINC000422699790 943237913 /nfs/dbraw/zinc/23/79/13/943237913.db2.gz BARWHGMEOKXRLH-NHCUHLMSSA-N 1 3 357.448 3.664 20 0 FHADHO C[C@@H]([NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1)[C@H]1CCCCN1 ZINC000422718004 943255726 /nfs/dbraw/zinc/25/57/26/943255726.db2.gz WOQWAVPHVRAUHU-DNVCBOLYSA-N 1 3 369.475 3.790 20 0 FHADHO C[C@@H](NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422718004 943255731 /nfs/dbraw/zinc/25/57/31/943255731.db2.gz WOQWAVPHVRAUHU-DNVCBOLYSA-N 1 3 369.475 3.790 20 0 FHADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCc1ccc(Br)s1 ZINC000422723108 943258739 /nfs/dbraw/zinc/25/87/39/943258739.db2.gz ZPFLOUMVEGVQDJ-SWLSCSKDSA-N 1 3 353.329 3.601 20 0 FHADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000422762098 943265601 /nfs/dbraw/zinc/26/56/01/943265601.db2.gz NKBGYYXPEOBWRE-YJBOKZPZSA-N 1 3 370.459 3.861 20 0 FHADHO COc1ccc2c(c1)CCC[C@@H]2N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422776044 943278499 /nfs/dbraw/zinc/27/84/99/943278499.db2.gz BZBIZHJOZSCLME-QZNHQXDQSA-N 1 3 364.489 3.918 20 0 FHADHO CCOC(=O)C1([C@H](C)N[C@@H](C)c2cc(Cl)ccc2Cl)CC[NH2+]CC1 ZINC000422776086 943279135 /nfs/dbraw/zinc/27/91/35/943279135.db2.gz CEKFSGAISUHETL-STQMWFEESA-N 1 3 373.324 3.965 20 0 FHADHO CO[C@H](CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(Cl)cc1 ZINC000422795079 943285743 /nfs/dbraw/zinc/28/57/43/943285743.db2.gz ZPTKTPBREHUYED-HMXCVIKNSA-N 1 3 372.896 3.873 20 0 FHADHO CCN(CC)[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1cccc(OC)c1 ZINC000422797029 943287004 /nfs/dbraw/zinc/28/70/04/943287004.db2.gz KXXUDGAWKWCASB-GXRSIYKFSA-N 1 3 359.558 3.588 20 0 FHADHO CCN(CC)[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1cccc(OC)c1 ZINC000422797026 943287333 /nfs/dbraw/zinc/28/73/33/943287333.db2.gz KXXUDGAWKWCASB-CIAFKFPVSA-N 1 3 359.558 3.588 20 0 FHADHO C[C@@H]([NH3+])C[C@@H](C)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000422790174 943293293 /nfs/dbraw/zinc/29/32/93/943293293.db2.gz PFNUEBHMCDRMSB-HZPDHXFCSA-N 1 3 352.457 3.894 20 0 FHADHO COc1ccc(CCN[C@H](C)C[C@@H]2CCCCC[NH2+]2)cc1OC(F)F ZINC000422878862 943314307 /nfs/dbraw/zinc/31/43/07/943314307.db2.gz KYPDNHSSVZFBHZ-ZBFHGGJFSA-N 1 3 356.457 3.740 20 0 FHADHO Cc1cc(C)n(-c2ccc(CN[C@H](C)C[C@H](C)[NH3+])c(C(F)(F)F)c2)n1 ZINC000422906625 943327147 /nfs/dbraw/zinc/32/71/47/943327147.db2.gz VPPFTAIITCXJRF-NWDGAFQWSA-N 1 3 354.420 3.723 20 0 FHADHO FC(F)n1c(CCN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)nc2ccccc21 ZINC000422915412 943329418 /nfs/dbraw/zinc/32/94/18/943329418.db2.gz YCPDWDQIYGWDLV-ARFHVFGLSA-N 1 3 362.468 3.874 20 0 FHADHO COc1ccc(C)cc1C1(CN[C@H]2C[C@@H]([NH3+])c3ccccc32)CCOCC1 ZINC000422893538 943330910 /nfs/dbraw/zinc/33/09/10/943330910.db2.gz ADOTVVOFXDWIQI-RTWAWAEBSA-N 1 3 366.505 3.786 20 0 FHADHO CO[C@H](CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1cccc(Cl)c1 ZINC000422922757 943332413 /nfs/dbraw/zinc/33/24/13/943332413.db2.gz UGUOLKZMIRAIDE-TYPHKJRUSA-N 1 3 372.896 3.873 20 0 FHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H](C)Cc1ccccc1Br ZINC000422928806 943334513 /nfs/dbraw/zinc/33/45/13/943334513.db2.gz MSMBPVTZFLSSSX-OLZOCXBDSA-N 1 3 362.315 3.893 20 0 FHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCCC(=O)Nc1ccc(Cl)cc1 ZINC000422940104 943339033 /nfs/dbraw/zinc/33/90/33/943339033.db2.gz IQSXKTGTVXDAAE-ZDUSSCGKSA-N 1 3 360.889 3.572 20 0 FHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCOc1cccc(C(F)(F)F)c1 ZINC000422941566 943340226 /nfs/dbraw/zinc/34/02/26/943340226.db2.gz JLGQDILXIQFMKM-GFCCVEGCSA-N 1 3 353.388 3.597 20 0 FHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCOc1cccc(C(F)(F)F)c1 ZINC000422941569 943340346 /nfs/dbraw/zinc/34/03/46/943340346.db2.gz JLGQDILXIQFMKM-LBPRGKRZSA-N 1 3 353.388 3.597 20 0 FHADHO COc1ccc([C@H](N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C2CC2)cc1 ZINC000422944130 943342130 /nfs/dbraw/zinc/34/21/30/943342130.db2.gz RRPWJTHQHJXDJN-YMPZKCBVSA-N 1 3 364.489 3.992 20 0 FHADHO COc1ccc([C@H](N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C2CC2)cc1 ZINC000422944128 943342381 /nfs/dbraw/zinc/34/23/81/943342381.db2.gz RRPWJTHQHJXDJN-MZYLBHOOSA-N 1 3 364.489 3.992 20 0 FHADHO COc1cc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)ccc1OCC(F)(F)F ZINC000435374228 943355722 /nfs/dbraw/zinc/35/57/22/943355722.db2.gz WYCXMOZGTJVXQS-INIZCTEOSA-N 1 3 372.431 3.600 20 0 FHADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000423023132 943366143 /nfs/dbraw/zinc/36/61/43/943366143.db2.gz JAXWRBHORLFNMP-YYFZDKIDSA-N 1 3 361.892 3.606 20 0 FHADHO CN1CC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2CN)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423021527 943367720 /nfs/dbraw/zinc/36/77/20/943367720.db2.gz FQMDLQUBULFPSO-OHDICMOHSA-N 1 3 353.913 3.579 20 0 FHADHO CN1CC[C@H](C[NH2+][C@@H]2CCCC[C@H]2CN)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423021530 943367893 /nfs/dbraw/zinc/36/78/93/943367893.db2.gz FQMDLQUBULFPSO-SFUIVIKGSA-N 1 3 353.913 3.579 20 0 FHADHO N[C@H]1C[C@H]([NH2+]CCCc2nc(-c3ccc(F)cc3)no2)c2ccccc21 ZINC000423028597 943370760 /nfs/dbraw/zinc/37/07/60/943370760.db2.gz GWHNBBMXYDNSAV-ROUUACIJSA-N 1 3 352.413 3.543 20 0 FHADHO C[NH2+]CC1CCN(Cc2cc3ccccc3nc2N2CCCCC2)CC1 ZINC000435384974 943373074 /nfs/dbraw/zinc/37/30/74/943373074.db2.gz PBANPAGIAMZPAK-UHFFFAOYSA-N 1 3 352.526 3.657 20 0 FHADHO CC(C)c1ccc([C@@H]2CCCC[N@@H+]2C[C@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414713236 943373879 /nfs/dbraw/zinc/37/38/79/943373879.db2.gz UDRPPLHLYBJJSF-NQIIRXRSSA-N 1 3 357.542 3.534 20 0 FHADHO CC(C)c1ccc([C@@H]2CCCC[N@H+]2C[C@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414713236 943373884 /nfs/dbraw/zinc/37/38/84/943373884.db2.gz UDRPPLHLYBJJSF-NQIIRXRSSA-N 1 3 357.542 3.534 20 0 FHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H](CN(C)Cc1ccccc1)C(C)C ZINC000423056851 943376660 /nfs/dbraw/zinc/37/66/60/943376660.db2.gz YURQOPUGMOIUMZ-AVRDEDQJSA-N 1 3 354.542 3.656 20 0 FHADHO CC(C)(CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)c1cccc(Cl)c1F ZINC000423057189 943376698 /nfs/dbraw/zinc/37/66/98/943376698.db2.gz ZLKZAPZRFXBFMX-XOKHGSTOSA-N 1 3 354.897 3.503 20 0 FHADHO CSCc1cccc(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000423060648 943378113 /nfs/dbraw/zinc/37/81/13/943378113.db2.gz OUUDENHBUPMXFG-FPOVZHCZSA-N 1 3 354.519 3.895 20 0 FHADHO Fc1cccc(C2(CN[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)CCCC2)c1F ZINC000423077877 943385774 /nfs/dbraw/zinc/38/57/74/943385774.db2.gz NCSVPWSLOCLITE-ZYSHUDEJSA-N 1 3 364.480 3.523 20 0 FHADHO c1ccc(CN2CCSC[C@@H]2CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000423080676 943386680 /nfs/dbraw/zinc/38/66/80/943386680.db2.gz ZUWCCMOQZDDYQK-LNRXMEIDSA-N 1 3 373.610 3.504 20 0 FHADHO Clc1ccc([C@H]2C[C@H](N[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1Cl ZINC000423100957 943394441 /nfs/dbraw/zinc/39/44/41/943394441.db2.gz NDDPLCFLDLSDGQ-FJWRHQQOSA-N 1 3 369.336 3.986 20 0 FHADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCc1c[nH]c2cccc(Br)c12 ZINC000423119733 943397205 /nfs/dbraw/zinc/39/72/05/943397205.db2.gz DMUOYWOEMLQZBS-DOMZBBRYSA-N 1 3 350.304 3.580 20 0 FHADHO C[C@H](N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[C@@H]1OCCc2sccc21 ZINC000423125060 943398473 /nfs/dbraw/zinc/39/84/73/943398473.db2.gz HHEBHYNCYLSWDH-ITNCUTESSA-N 1 3 370.518 3.596 20 0 FHADHO Cc1cc(CN(C)[C@H]2CCC[NH2+]CC2)cc(C)c1OCc1ccccn1 ZINC000435437404 943415667 /nfs/dbraw/zinc/41/56/67/943415667.db2.gz KKVSYZLDTQSMBY-NRFANRHFSA-N 1 3 353.510 3.851 20 0 FHADHO c1nc(SC2CCCC2)ncc1CCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423138990 943416380 /nfs/dbraw/zinc/41/63/80/943416380.db2.gz UTQGMCFXWJKDNX-SLFFLAALSA-N 1 3 374.598 3.954 20 0 FHADHO C[C@H](NCCCN1CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1Cl ZINC000423179299 943428373 /nfs/dbraw/zinc/42/83/73/943428373.db2.gz LTLIMJFTYRQBHN-NSHDSACASA-N 1 3 350.721 3.593 20 0 FHADHO FC(F)(F)Oc1ccc2c(c1)[C@@H](NCCC[NH2+]Cc1cccnc1)CC2 ZINC000423187069 943435226 /nfs/dbraw/zinc/43/52/26/943435226.db2.gz LQQCPZIGXLJIOA-SFHVURJKSA-N 1 3 365.399 3.737 20 0 FHADHO C[C@H](N[C@H]1CCCC[C@@H]1C[NH3+])c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423264571 943455606 /nfs/dbraw/zinc/45/56/06/943455606.db2.gz ABOCIVGOFRZCJD-VPWXQRGCSA-N 1 3 364.555 3.571 20 0 FHADHO C[C@@H]1C[C@@H](N[C@H](c2cccc(Br)c2)C2CCOCC2)CC[NH2+]1 ZINC000423384078 943497572 /nfs/dbraw/zinc/49/75/72/943497572.db2.gz PWJPSNJNORVFJL-BVGQSLNGSA-N 1 3 367.331 3.647 20 0 FHADHO COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]CC2(N)C3CC4CC(C3)CC2C4)C1 ZINC000423529903 943538649 /nfs/dbraw/zinc/53/86/49/943538649.db2.gz QMLJJYCCVAHONT-BQZIBJORSA-N 1 3 362.558 3.632 20 0 FHADHO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC2(N)C3CC4CC(C3)CC2C4)c(C)c1 ZINC000423533778 943539971 /nfs/dbraw/zinc/53/99/71/943539971.db2.gz YMIVKRNHFSEFAP-QGBFRPGZSA-N 1 3 369.553 3.764 20 0 FHADHO C[C@H](N[C@H](CCC[NH3+])c1ccccc1)c1cccc(N2CCCC2=O)c1 ZINC000423512044 943542069 /nfs/dbraw/zinc/54/20/69/943542069.db2.gz UIBHCKMSJWWVIG-LAUBAEHRSA-N 1 3 351.494 3.944 20 0 FHADHO [NH3+]C[C@@H]1CC[C@@H](N[C@H](c2ccc(Br)o2)c2ccc(F)cc2)C1 ZINC000423514402 943542646 /nfs/dbraw/zinc/54/26/46/943542646.db2.gz SBYCHCNVMBPXLJ-ZLENFMNRSA-N 1 3 367.262 3.988 20 0 FHADHO COc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H]2CCO)cc1CN1CCCCC1 ZINC000187978937 943585053 /nfs/dbraw/zinc/58/50/53/943585053.db2.gz NPHJFENQHHJLAQ-UEXGIBASSA-N 1 3 360.542 3.883 20 0 FHADHO CCOc1c(Cl)cc(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1OC ZINC000414773975 943729380 /nfs/dbraw/zinc/72/93/80/943729380.db2.gz FAOCPYWZMOYLMY-HOTGVXAUSA-N 1 3 352.906 3.569 20 0 FHADHO CCOc1cccc(CN2CC3(C[C@H]2C)CC[NH2+]CC3)c1OC(F)F ZINC000424374318 943884595 /nfs/dbraw/zinc/88/45/95/943884595.db2.gz IFPVFEIIJUIWTI-CQSZACIVSA-N 1 3 354.441 3.651 20 0 FHADHO COC(=O)[C@H](CCN[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccccc1 ZINC000425431996 943908343 /nfs/dbraw/zinc/90/83/43/943908343.db2.gz JKJSRQFFIZSCHT-YFVAEKQCSA-N 1 3 358.526 3.576 20 0 FHADHO COC(=O)[C@H](CCN[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccccc1 ZINC000425431996 943908345 /nfs/dbraw/zinc/90/83/45/943908345.db2.gz JKJSRQFFIZSCHT-YFVAEKQCSA-N 1 3 358.526 3.576 20 0 FHADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)CCC(=O)OC(C)(C)C)C2)s1 ZINC000517033938 943930057 /nfs/dbraw/zinc/93/00/57/943930057.db2.gz PTQMOJMGARDEAV-INIZCTEOSA-N 1 3 352.544 3.542 20 0 FHADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)CCC(=O)OC(C)(C)C)C2)s1 ZINC000517033938 943930061 /nfs/dbraw/zinc/93/00/61/943930061.db2.gz PTQMOJMGARDEAV-INIZCTEOSA-N 1 3 352.544 3.542 20 0 FHADHO CC[C@@H]1CN(CCC(=O)Nc2ccc(Oc3ccccc3)cc2)CC[C@H]1[NH3+] ZINC000647937263 944030849 /nfs/dbraw/zinc/03/08/49/944030849.db2.gz URCUEGNCGSKJDQ-DYESRHJHSA-N 1 3 367.493 3.867 20 0 FHADHO OC1(C[NH2+]Cc2cccc(C(F)F)c2)CCN(Cc2ccccc2)CC1 ZINC000397696285 944097797 /nfs/dbraw/zinc/09/77/97/944097797.db2.gz SDBVDZYMHOODHK-UHFFFAOYSA-N 1 3 360.448 3.741 20 0 FHADHO CCC[C@@H](C)[C@H]1CCCN1C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000517245538 944139000 /nfs/dbraw/zinc/13/90/00/944139000.db2.gz UHMWNSQAPVONJP-WIYYLYMNSA-N 1 3 363.590 3.610 20 0 FHADHO [NH3+][C@H]1CCC[C@@H](NCc2ccc(Br)cc2C(F)(F)F)C1 ZINC000414921403 944324928 /nfs/dbraw/zinc/32/49/28/944324928.db2.gz FOANVRZBWJANDK-NWDGAFQWSA-N 1 3 351.210 3.827 20 0 FHADHO COc1ccc2c(c1F)CC[C@H]2NCc1cccc(OCC[NH+](C)C)c1 ZINC000515909540 944325402 /nfs/dbraw/zinc/32/54/02/944325402.db2.gz XWGIOVPWNPYDHX-LJQANCHMSA-N 1 3 358.457 3.552 20 0 FHADHO FC(F)(F)c1ccc(OCCN2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000500290343 944432304 /nfs/dbraw/zinc/43/23/04/944432304.db2.gz SKSZTTINXFHFOU-UHFFFAOYSA-N 1 3 356.432 3.892 20 0 FHADHO Fc1ccccc1C1(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CCOCC1 ZINC001167964230 944470569 /nfs/dbraw/zinc/47/05/69/944470569.db2.gz NWMKUKZCVYDOOS-IHWFROFDSA-N 1 3 372.528 3.869 20 0 FHADHO Fc1ccccc1C1(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCOCC1 ZINC001167964230 944470574 /nfs/dbraw/zinc/47/05/74/944470574.db2.gz NWMKUKZCVYDOOS-IHWFROFDSA-N 1 3 372.528 3.869 20 0 FHADHO Cc1cc(OC[C@H](O)CN[C@H]2CC[N@H+](C)[C@@H](C)C2)c(C(C)C)cc1Cl ZINC000516175894 944559467 /nfs/dbraw/zinc/55/94/67/944559467.db2.gz XDJDTFUZXQKYMN-YESZJQIVSA-N 1 3 368.949 3.584 20 0 FHADHO Cc1cc(OC[C@H](O)CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)c(C(C)C)cc1Cl ZINC000516175894 944559475 /nfs/dbraw/zinc/55/94/75/944559475.db2.gz XDJDTFUZXQKYMN-YESZJQIVSA-N 1 3 368.949 3.584 20 0 FHADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(Cc2cnc(-c3ccsc3)s2)CC1 ZINC000518727227 944657006 /nfs/dbraw/zinc/65/70/06/944657006.db2.gz AQRIBAXHUIQWSN-DLBZAZTESA-N 1 3 363.552 3.590 20 0 FHADHO Cc1nc2ccc(CN3CCC(C[NH+]4C[C@@H](C)O[C@H](C)C4)CC3)cc2s1 ZINC000426412535 944726697 /nfs/dbraw/zinc/72/66/97/944726697.db2.gz PPXOJNKGQZQQNP-HZPDHXFCSA-N 1 3 373.566 3.926 20 0 FHADHO CCN(Cc1ccc(C[NH+](C)C)cc1)Cc1cc(OC)c2c(c1)OCCO2 ZINC000519477364 945461712 /nfs/dbraw/zinc/46/17/12/945461712.db2.gz RXIZSSKZOBPRCO-UHFFFAOYSA-N 1 3 370.493 3.550 20 0 FHADHO Cc1nc(C(C)C)ccc1CN1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000519694026 945667120 /nfs/dbraw/zinc/66/71/20/945667120.db2.gz UWICRLHGRMVRAX-QZTJIDSGSA-N 1 3 359.558 3.835 20 0 FHADHO C[C@H]1C[C@@H](CCNCc2cc(C(F)(F)F)n[nH]2)C[N@@H+]1Cc1ccccc1 ZINC000440612725 945707386 /nfs/dbraw/zinc/70/73/86/945707386.db2.gz NSSRFXWKGADHDC-GOEBONIOSA-N 1 3 366.431 3.819 20 0 FHADHO C[C@H]1C[C@@H](CCNCc2cc(C(F)(F)F)n[nH]2)C[N@H+]1Cc1ccccc1 ZINC000440612725 945707391 /nfs/dbraw/zinc/70/73/91/945707391.db2.gz NSSRFXWKGADHDC-GOEBONIOSA-N 1 3 366.431 3.819 20 0 FHADHO CCCN(CC(=O)NC1CC[NH+](C2CC2)CC1)[C@@H](CC)c1ccccc1 ZINC000519906489 945870992 /nfs/dbraw/zinc/87/09/92/945870992.db2.gz FODQASJCOZKAEE-NRFANRHFSA-N 1 3 357.542 3.593 20 0 FHADHO CCc1c(C)[nH+]c2ccccc2c1N1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000301982144 946065347 /nfs/dbraw/zinc/06/53/47/946065347.db2.gz AFRZDCUPQZKNJE-INIZCTEOSA-N 1 3 353.510 3.795 20 0 FHADHO CCn1nc(CN(C)CC2CCN(c3cc[nH+]cc3)CC2)c2ccccc21 ZINC000473117145 946297582 /nfs/dbraw/zinc/29/75/82/946297582.db2.gz AHRNKOUFJRMRCP-UHFFFAOYSA-N 1 3 363.509 3.800 20 0 FHADHO C[C@@H]1CC(N2CC[C@H](N3CCCC3)[C@@H](F)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168067327 946356688 /nfs/dbraw/zinc/35/66/88/946356688.db2.gz TYYBJOURNCFNIU-VKGYTVAMSA-N 1 3 373.560 3.936 20 0 FHADHO C[C@H]([NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)[C@H]1CCCN(C2CCC2)C1 ZINC000893488941 946432032 /nfs/dbraw/zinc/43/20/32/946432032.db2.gz VTUOAZOIJYNXCT-XLAORIBOSA-N 1 3 365.562 3.532 20 0 FHADHO CCOC(=O)NC1CCN([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168056674 946493826 /nfs/dbraw/zinc/49/38/26/946493826.db2.gz HQWCKEHWOMFSKU-RMFSNUHRSA-N 1 3 373.541 3.639 20 0 FHADHO CCOC(=O)NC1CCN([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168056674 946493835 /nfs/dbraw/zinc/49/38/35/946493835.db2.gz HQWCKEHWOMFSKU-RMFSNUHRSA-N 1 3 373.541 3.639 20 0 FHADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000520365033 946501196 /nfs/dbraw/zinc/50/11/96/946501196.db2.gz HCWSVQPXZXNGRY-SFHVURJKSA-N 1 3 357.542 3.523 20 0 FHADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000520365033 946501205 /nfs/dbraw/zinc/50/12/05/946501205.db2.gz HCWSVQPXZXNGRY-SFHVURJKSA-N 1 3 357.542 3.523 20 0 FHADHO C[C@@H]1C[C@@H](N2CCC(N3CCCC3=O)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168059354 946691170 /nfs/dbraw/zinc/69/11/70/946691170.db2.gz TWHKKJACLWEQPE-HATOLVCRSA-N 1 3 369.553 3.515 20 0 FHADHO C[C@@H]1C[C@@H](N2CCC(N3CCCC3=O)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168059354 946691173 /nfs/dbraw/zinc/69/11/73/946691173.db2.gz TWHKKJACLWEQPE-HATOLVCRSA-N 1 3 369.553 3.515 20 0 FHADHO C[C@@H]1CC(N2CCC(N3CCCC3=O)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168059363 946691960 /nfs/dbraw/zinc/69/19/60/946691960.db2.gz TWHKKJACLWEQPE-RTBURBONSA-N 1 3 369.553 3.515 20 0 FHADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(CCOc3ccc(Cl)cc3Cl)C2)C1 ZINC000652346312 946872023 /nfs/dbraw/zinc/87/20/23/946872023.db2.gz YMKTYVRSSYYZGI-DDUZABMNSA-N 1 3 373.324 3.591 20 0 FHADHO CC[C@@H]1C[N@H+](CCCN2CCN(C(C)C)CC2)CC[C@@H]1c1ccccc1 ZINC000192987688 947133820 /nfs/dbraw/zinc/13/38/20/947133820.db2.gz MAZOTSFICWMWLD-GGAORHGYSA-N 1 3 357.586 3.918 20 0 FHADHO CC[C@@H]1C[N@@H+](CCCN2CCN(C(C)C)CC2)CC[C@@H]1c1ccccc1 ZINC000192987688 947133829 /nfs/dbraw/zinc/13/38/29/947133829.db2.gz MAZOTSFICWMWLD-GGAORHGYSA-N 1 3 357.586 3.918 20 0 FHADHO COc1ccccc1C[NH+]1CCN(c2ccnc3cc(F)ccc32)CC1 ZINC000301280226 947265694 /nfs/dbraw/zinc/26/56/94/947265694.db2.gz PWMWZXXRLFYHTA-UHFFFAOYSA-N 1 3 351.425 3.705 20 0 FHADHO COc1ccccc1CN1CCN(c2cc[nH+]c3cc(F)ccc32)CC1 ZINC000301280226 947265705 /nfs/dbraw/zinc/26/57/05/947265705.db2.gz PWMWZXXRLFYHTA-UHFFFAOYSA-N 1 3 351.425 3.705 20 0 FHADHO CCOc1cc2nccc(N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C)c2cc1OCC ZINC000301442541 947345301 /nfs/dbraw/zinc/34/53/01/947345301.db2.gz WJDAALZKQWMJGO-CVEARBPZSA-N 1 3 355.482 3.705 20 0 FHADHO CCOc1cc2nccc(N3CC[C@H]4CC[C@@H](C3)[N@H+]4C)c2cc1OCC ZINC000301442541 947345316 /nfs/dbraw/zinc/34/53/16/947345316.db2.gz WJDAALZKQWMJGO-CVEARBPZSA-N 1 3 355.482 3.705 20 0 FHADHO Clc1ccc(CN2CCC3(CC[N@H+](CCn4ccnc4)C3)CC2)cc1 ZINC001279146297 947346839 /nfs/dbraw/zinc/34/68/39/947346839.db2.gz RGFYJWASRYTBHO-UHFFFAOYSA-N 1 3 358.917 3.525 20 0 FHADHO Clc1ccc(CN2CCC3(CC[N@@H+](CCn4ccnc4)C3)CC2)cc1 ZINC001279146297 947346852 /nfs/dbraw/zinc/34/68/52/947346852.db2.gz RGFYJWASRYTBHO-UHFFFAOYSA-N 1 3 358.917 3.525 20 0 FHADHO O[C@H]1CCN(C2CC[NH+](CCCCc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000662146867 947370585 /nfs/dbraw/zinc/37/05/85/947370585.db2.gz CCQFBHSWZMHWNC-KRWDZBQOSA-N 1 3 371.352 3.847 20 0 FHADHO COc1cccc(CN(Cc2cccc3c2CC[NH2+]C3)C[C@@H]2CCCO2)c1 ZINC000662252557 947674566 /nfs/dbraw/zinc/67/45/66/947674566.db2.gz AJWMTXGFNYLJGI-QFIPXVFZSA-N 1 3 366.505 3.522 20 0 FHADHO CCC(CC)(CNC(=O)c1cccc2c1CNC2)[NH2+][C@@H](C)c1ccccc1 ZINC000662453691 947824237 /nfs/dbraw/zinc/82/42/37/947824237.db2.gz DFIZBTXJMQVLRI-KRWDZBQOSA-N 1 3 365.521 3.929 20 0 FHADHO Cc1ccc2cc(C[NH+]3CCC(CN4C[C@@H](C)O[C@@H](C)C4)CC3)ccc2n1 ZINC000189811415 947841884 /nfs/dbraw/zinc/84/18/84/947841884.db2.gz VQTDLNHFXQOSCB-KDURUIRLSA-N 1 3 367.537 3.864 20 0 FHADHO CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)c1 ZINC000165288215 947874882 /nfs/dbraw/zinc/87/48/82/947874882.db2.gz CNIGUUSBWVFFAW-GHTZIAJQSA-N 1 3 365.521 3.860 20 0 FHADHO Cc1cc(CN(C)C)cc(NC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)c1 ZINC000662508802 947877004 /nfs/dbraw/zinc/87/70/04/947877004.db2.gz GABPTHZDDYGYTC-LJQANCHMSA-N 1 3 351.494 3.688 20 0 FHADHO C[C@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)c1ccc([S@@](C)=O)cc1 ZINC000165321578 947890156 /nfs/dbraw/zinc/89/01/56/947890156.db2.gz CIKNKKMBIKVCEM-GCOVDLRRSA-N 1 3 370.562 3.639 20 0 FHADHO CC[C@H]1CN([C@H](C)CCC[NH+](CC)CC)CCN1C(=O)OC(C)(C)C ZINC001167827288 948141717 /nfs/dbraw/zinc/14/17/17/948141717.db2.gz VQQYSPOOPSQDEF-MSOLQXFVSA-N 1 3 355.567 3.828 20 0 FHADHO C[C@H](N)C[NH2+][C@H](c1ccc(Br)cc1C(F)(F)F)C1CC1 ZINC000643527396 948170832 /nfs/dbraw/zinc/17/08/32/948170832.db2.gz MCDJUABCFKLOOA-SDBXPKJASA-N 1 3 351.210 3.856 20 0 FHADHO C[C@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1cccc(OC(F)(F)F)c1 ZINC000432407189 948346735 /nfs/dbraw/zinc/34/67/35/948346735.db2.gz LBGGBUSQOSFLRE-GJZGRUSLSA-N 1 3 360.420 3.737 20 0 FHADHO C[C@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1cccc(OC(F)(F)F)c1 ZINC000432407189 948346747 /nfs/dbraw/zinc/34/67/47/948346747.db2.gz LBGGBUSQOSFLRE-GJZGRUSLSA-N 1 3 360.420 3.737 20 0 FHADHO CC[C@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1cccc(Br)c1 ZINC000432410819 948355965 /nfs/dbraw/zinc/35/59/65/948355965.db2.gz RYUFDUWRSVSNPS-QAPCUYQASA-N 1 3 369.347 3.991 20 0 FHADHO CC[C@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1cccc(Br)c1 ZINC000432410819 948355972 /nfs/dbraw/zinc/35/59/72/948355972.db2.gz RYUFDUWRSVSNPS-QAPCUYQASA-N 1 3 369.347 3.991 20 0 FHADHO C[C@@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(-c2ccncc2)cc1 ZINC000432412107 948359473 /nfs/dbraw/zinc/35/94/73/948359473.db2.gz AGSYEOLVKZYVOU-RBUKOAKNSA-N 1 3 353.510 3.900 20 0 FHADHO C[C@@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(-c2ccncc2)cc1 ZINC000432412107 948359483 /nfs/dbraw/zinc/35/94/83/948359483.db2.gz AGSYEOLVKZYVOU-RBUKOAKNSA-N 1 3 353.510 3.900 20 0 FHADHO C[C@@H]1C[C@@H](NCCNC(=O)OC(C)(C)C)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168005987 948548985 /nfs/dbraw/zinc/54/89/85/948548985.db2.gz LXYCOMUPURKJJA-IZZQQSIFSA-N 1 3 361.530 3.542 20 0 FHADHO C[C@@H]1C[C@@H](NCCNC(=O)OC(C)(C)C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168005987 948548991 /nfs/dbraw/zinc/54/89/91/948548991.db2.gz LXYCOMUPURKJJA-IZZQQSIFSA-N 1 3 361.530 3.542 20 0 FHADHO C[C@H]1CN(CCCC[NH2+]Cc2ccccc2OC2CCCC2)C[C@H](C)O1 ZINC000062252792 567943090 /nfs/dbraw/zinc/94/30/90/567943090.db2.gz MVVOZOBXQTWIQE-OALUTQOASA-N 1 3 360.542 3.987 20 0 FHADHO CN1CC[C@@]2(CC[N@H+](Cc3ccc(OCc4cccc(F)c4)cc3)C2)C1 ZINC000644843042 568186095 /nfs/dbraw/zinc/18/60/95/568186095.db2.gz HMFLPKLLFJVWGQ-JOCHJYFZSA-N 1 3 354.469 3.932 20 0 FHADHO CN1CC[C@@]2(CC[N@@H+](Cc3ccc(OCc4cccc(F)c4)cc3)C2)C1 ZINC000644843042 568186096 /nfs/dbraw/zinc/18/60/96/568186096.db2.gz HMFLPKLLFJVWGQ-JOCHJYFZSA-N 1 3 354.469 3.932 20 0 FHADHO Cc1c(F)cccc1-c1ccc(CNCCCC[N@@H+]2CCC[C@H]2CO)o1 ZINC000604416633 568274754 /nfs/dbraw/zinc/27/47/54/568274754.db2.gz RXGFUPFTZHZVFQ-KRWDZBQOSA-N 1 3 360.473 3.721 20 0 FHADHO Cc1c(F)cccc1-c1ccc(CNCCCC[N@H+]2CCC[C@H]2CO)o1 ZINC000604416633 568274756 /nfs/dbraw/zinc/27/47/56/568274756.db2.gz RXGFUPFTZHZVFQ-KRWDZBQOSA-N 1 3 360.473 3.721 20 0 FHADHO CCOCCCN1CC[C@H]([NH2+]Cc2cccc(OC(F)(F)F)c2)[C@@H](C)C1 ZINC000604418124 568276247 /nfs/dbraw/zinc/27/62/47/568276247.db2.gz HVYGZBDZZBGYSD-YJBOKZPZSA-N 1 3 374.447 3.812 20 0 FHADHO Fc1cccc(CN2CC[C@@]23CCCN(c2[nH+]ccc4[nH]ccc42)C3)c1 ZINC001164995489 722192802 /nfs/dbraw/zinc/19/28/02/722192802.db2.gz VFFWJPZCVYGLKA-OAQYLSRUSA-N 1 3 350.441 3.947 20 0 FHADHO Cc1nc2ccccn2c1C[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000579696210 927111715 /nfs/dbraw/zinc/11/17/15/927111715.db2.gz HLQHYCGGEODTPC-LEWJYISDSA-N 1 3 360.505 3.597 20 0 FHADHO Cc1nc2ccccn2c1C[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000579696210 927111723 /nfs/dbraw/zinc/11/17/23/927111723.db2.gz HLQHYCGGEODTPC-LEWJYISDSA-N 1 3 360.505 3.597 20 0 FHADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2oc3ccccc3c2CN(C)C)C1 ZINC000118773596 927431106 /nfs/dbraw/zinc/43/11/06/927431106.db2.gz SRMWQIXFZPTZGD-QGZVFWFLSA-N 1 3 371.525 3.736 20 0 FHADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2oc3ccccc3c2CN(C)C)C1 ZINC000118773596 927431112 /nfs/dbraw/zinc/43/11/12/927431112.db2.gz SRMWQIXFZPTZGD-QGZVFWFLSA-N 1 3 371.525 3.736 20 0 FHADHO C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)N1CCCCCC1 ZINC000511772242 945069482 /nfs/dbraw/zinc/06/94/82/945069482.db2.gz UJZOIQUFTMNKBF-PZJWPPBQSA-N 1 3 371.569 3.668 20 0 FHADHO C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)N1CCCCCC1 ZINC000511772242 945069493 /nfs/dbraw/zinc/06/94/93/945069493.db2.gz UJZOIQUFTMNKBF-PZJWPPBQSA-N 1 3 371.569 3.668 20 0 FHADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](NCCN2Cc4ccccc4C2)C3)cc1 ZINC000683690409 929803065 /nfs/dbraw/zinc/80/30/65/929803065.db2.gz JWIDTRDSWPWNTD-BKFWDETESA-N 1 3 361.533 3.787 20 0 FHADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](NCCN2Cc4ccccc4C2)C3)cc1 ZINC000683690409 929803073 /nfs/dbraw/zinc/80/30/73/929803073.db2.gz JWIDTRDSWPWNTD-BKFWDETESA-N 1 3 361.533 3.787 20 0 FHADHO Cc1ccccc1[C@H](CO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000683691586 929809356 /nfs/dbraw/zinc/80/93/56/929809356.db2.gz ZMSOIZSJBMVYPS-KGSLCBSSSA-N 1 3 350.506 3.814 20 0 FHADHO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@@H]1CCCN(C(C)C)C1)CC3 ZINC000123214682 929916770 /nfs/dbraw/zinc/91/67/70/929916770.db2.gz RDNSGEZKXRVZTF-DLBZAZTESA-N 1 3 355.526 3.744 20 0 FHADHO C[C@H](NCc1cccc(C[NH+](C)C)c1)c1cccc(N2CCCC2=O)c1 ZINC000123664157 930063053 /nfs/dbraw/zinc/06/30/53/930063053.db2.gz SAJVCTREZLJADU-KRWDZBQOSA-N 1 3 351.494 3.726 20 0 FHADHO Cc1ccc(NC(=O)[C@@H](NC[C@H]2C[C@@H]([NH+](C)C)C2)c2ccccc2)cc1 ZINC000656127314 930303637 /nfs/dbraw/zinc/30/36/37/930303637.db2.gz XXAAZUZEEVTVDG-WMQCIHAUSA-N 1 3 351.494 3.605 20 0 FHADHO CC[N@H+](C)C[C@H](O)CN1CC[C@H](c2ccccc2)[C@@H]1c1cccc(OC)c1 ZINC000580325556 930505242 /nfs/dbraw/zinc/50/52/42/930505242.db2.gz QXWOGOGALNHBQA-WWNPGLIZSA-N 1 3 368.521 3.538 20 0 FHADHO CC[N@@H+](C)C[C@H](O)CN1CC[C@H](c2ccccc2)[C@@H]1c1cccc(OC)c1 ZINC000580325556 930505244 /nfs/dbraw/zinc/50/52/44/930505244.db2.gz QXWOGOGALNHBQA-WWNPGLIZSA-N 1 3 368.521 3.538 20 0 FHADHO Cc1ccc2cc(C[NH+]3CCC(N4CCN(C(C)C)CC4)CC3)ccc2n1 ZINC000275844915 930525469 /nfs/dbraw/zinc/52/54/69/930525469.db2.gz VKGRKRBVDBVTNM-UHFFFAOYSA-N 1 3 366.553 3.534 20 0 FHADHO COc1ccc(OC)c([C@H]2CCCN2Cc2ccc3c(c2)C[NH2+]CC3)c1 ZINC000580573962 930867582 /nfs/dbraw/zinc/86/75/82/930867582.db2.gz UXGYUSWBIWCXAH-OAQYLSRUSA-N 1 3 352.478 3.687 20 0 FHADHO c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3N(CCCc3ccncc3)C2)cc1 ZINC000656403643 931592338 /nfs/dbraw/zinc/59/23/38/931592338.db2.gz BUAXKVMBZUCQNZ-ZJZGAYNASA-N 1 3 361.533 3.857 20 0 FHADHO c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3N(CCCc3ccncc3)C2)cc1 ZINC000656403643 931592342 /nfs/dbraw/zinc/59/23/42/931592342.db2.gz BUAXKVMBZUCQNZ-ZJZGAYNASA-N 1 3 361.533 3.857 20 0 FHADHO COc1cc(CNCc2cccc(C[N@H+](C)C(C)C)c2)cc(OC)c1OC ZINC000065976596 931673300 /nfs/dbraw/zinc/67/33/00/931673300.db2.gz MWPZOVMRXDBOPR-UHFFFAOYSA-N 1 3 372.509 3.842 20 0 FHADHO COc1cc(CNCc2cccc(C[N@@H+](C)C(C)C)c2)cc(OC)c1OC ZINC000065976596 931673307 /nfs/dbraw/zinc/67/33/07/931673307.db2.gz MWPZOVMRXDBOPR-UHFFFAOYSA-N 1 3 372.509 3.842 20 0 FHADHO CC(C)Oc1ccc(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000548155923 931692797 /nfs/dbraw/zinc/69/27/97/931692797.db2.gz JWKKYRVWVHBIEF-GHTZIAJQSA-N 1 3 353.510 3.869 20 0 FHADHO CC(C)Oc1ccc(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000548155925 931693005 /nfs/dbraw/zinc/69/30/05/931693005.db2.gz JWKKYRVWVHBIEF-RXVVDRJESA-N 1 3 353.510 3.869 20 0 FHADHO FC(F)(F)c1ccn(-c2ccc(CNC3CC[NH+](C4CC4)CC3)cc2)n1 ZINC000067667280 931800351 /nfs/dbraw/zinc/80/03/51/931800351.db2.gz MXPYRCFQCWFTBC-UHFFFAOYSA-N 1 3 364.415 3.608 20 0 FHADHO C[C@@H]([NH3+])[C@H]1CCCN(CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000430569247 931905854 /nfs/dbraw/zinc/90/58/54/931905854.db2.gz HFTASEGPTCIBKM-MSOLQXFVSA-N 1 3 367.493 3.867 20 0 FHADHO C[C@@](C[NH3+])(NCCC(=O)Nc1ccc(Oc2ccccc2)cc1)C1CC1 ZINC000430578246 931941010 /nfs/dbraw/zinc/94/10/10/931941010.db2.gz WFXBMOCZAKXLOE-NRFANRHFSA-N 1 3 353.466 3.525 20 0 FHADHO C[N@H+](CCOc1cccc(CNCc2cccs2)c1)C1CCOCC1 ZINC000076399895 932377127 /nfs/dbraw/zinc/37/71/27/932377127.db2.gz KGIAFFLLBUCZDF-UHFFFAOYSA-N 1 3 360.523 3.528 20 0 FHADHO C[N@@H+](CCOc1cccc(CNCc2cccs2)c1)C1CCOCC1 ZINC000076399895 932377134 /nfs/dbraw/zinc/37/71/34/932377134.db2.gz KGIAFFLLBUCZDF-UHFFFAOYSA-N 1 3 360.523 3.528 20 0 FHADHO COc1ccc([C@H](C[NH3+])CN2CCC(OCC3CCCCC3)CC2)cc1 ZINC000581716667 932551332 /nfs/dbraw/zinc/55/13/32/932551332.db2.gz MVLKNALAGUZGRC-HXUWFJFHSA-N 1 3 360.542 3.799 20 0 FHADHO Cc1ncc([C@@H](C)N[C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)s1 ZINC000090408336 932881111 /nfs/dbraw/zinc/88/11/11/932881111.db2.gz SZHFBRHCBBUEGH-UONOGXRCSA-N 1 3 362.518 3.754 20 0 FHADHO Cc1ncc([C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2N2CCN(C)CC2)s1 ZINC000090408336 932881119 /nfs/dbraw/zinc/88/11/19/932881119.db2.gz SZHFBRHCBBUEGH-UONOGXRCSA-N 1 3 362.518 3.754 20 0 FHADHO C[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2OC(F)F)CCN1C ZINC000090721360 933106050 /nfs/dbraw/zinc/10/60/50/933106050.db2.gz DUBZYVCZMMSBTC-MFKMUULPSA-N 1 3 363.246 3.623 20 0 FHADHO Cc1nc([C@H](C)NCCc2ccc(OCC[NH+]3CCCC3)cc2)cs1 ZINC000581960834 933120985 /nfs/dbraw/zinc/12/09/85/933120985.db2.gz SCGDXJNXZCMCNO-INIZCTEOSA-N 1 3 359.539 3.819 20 0 FHADHO CCN1CCN([C@H](C)C[NH2+][C@@H](c2cccc(C)c2)c2cccc(F)c2)CC1 ZINC000510747794 933639412 /nfs/dbraw/zinc/63/94/12/933639412.db2.gz FRGKDZLHBNOEKX-XXBNENTESA-N 1 3 369.528 3.839 20 0 FHADHO CO[C@@H](CNC1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccccc1 ZINC000131452049 933863699 /nfs/dbraw/zinc/86/36/99/933863699.db2.gz DAMXHVBXOMJOLS-QFIPXVFZSA-N 1 3 356.485 3.810 20 0 FHADHO CCCOc1c(Cl)cc(C[N@H+](C)C[C@H]2CCCN(C)C2)cc1OC ZINC000092253519 933965534 /nfs/dbraw/zinc/96/55/34/933965534.db2.gz YWHXJAGXJUBFEN-HNNXBMFYSA-N 1 3 354.922 3.911 20 0 FHADHO CCCOc1c(Cl)cc(C[N@@H+](C)C[C@H]2CCCN(C)C2)cc1OC ZINC000092253519 933965540 /nfs/dbraw/zinc/96/55/40/933965540.db2.gz YWHXJAGXJUBFEN-HNNXBMFYSA-N 1 3 354.922 3.911 20 0 FHADHO C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000510953463 934219123 /nfs/dbraw/zinc/21/91/23/934219123.db2.gz VDPLUSTZSUGRIO-MRXNPFEDSA-N 1 3 371.491 3.642 20 0 FHADHO C[C@H]1C[N@H+](CCCN[C@@H]2CCc3ccc(Br)cc32)CCCO1 ZINC000510960856 934227819 /nfs/dbraw/zinc/22/78/19/934227819.db2.gz KSCCOCAEHPGKLK-KBXCAEBGSA-N 1 3 367.331 3.527 20 0 FHADHO C[C@H]1C[N@@H+](CCCN[C@@H]2CCc3ccc(Br)cc32)CCCO1 ZINC000510960856 934227833 /nfs/dbraw/zinc/22/78/33/934227833.db2.gz KSCCOCAEHPGKLK-KBXCAEBGSA-N 1 3 367.331 3.527 20 0 FHADHO C[C@@H]1CN(CC2CC[NH+](Cc3ccnc4ccccc34)CC2)C[C@H](C)O1 ZINC000535827852 934528343 /nfs/dbraw/zinc/52/83/43/934528343.db2.gz CEJQCTKAHQORGF-HDICACEKSA-N 1 3 353.510 3.556 20 0 FHADHO CCOc1cc(C[NH2+]C[C@H]2CCN(C3CC3)C2)ccc1OCC(F)(F)F ZINC000101591877 934843596 /nfs/dbraw/zinc/84/35/96/934843596.db2.gz MODNSPSXQAFNJF-OAHLLOKOSA-N 1 3 372.431 3.600 20 0 FHADHO CO[C@@H](C[N@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(F)cc1 ZINC001167504417 934871019 /nfs/dbraw/zinc/87/10/19/934871019.db2.gz LFQCIZJMOAYQKE-UGKGYDQZSA-N 1 3 356.485 3.967 20 0 FHADHO CO[C@@H](C[N@@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(F)cc1 ZINC001167504417 934871023 /nfs/dbraw/zinc/87/10/23/934871023.db2.gz LFQCIZJMOAYQKE-UGKGYDQZSA-N 1 3 356.485 3.967 20 0 FHADHO CC(C)C[C@@H](C)Oc1cc(C[NH2+]Cc2ccnn2-c2ccncc2)ccn1 ZINC000657356697 935340272 /nfs/dbraw/zinc/34/02/72/935340272.db2.gz PKTKHVYMISCHPI-QGZVFWFLSA-N 1 3 365.481 3.766 20 0 FHADHO CC(C)C[C@@H](C)Oc1cc(CNCc2ccnn2-c2cc[nH+]cc2)ccn1 ZINC000657356697 935340279 /nfs/dbraw/zinc/34/02/79/935340279.db2.gz PKTKHVYMISCHPI-QGZVFWFLSA-N 1 3 365.481 3.766 20 0 FHADHO O[C@@H](CC1CCCC1)CN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC001167554330 935389624 /nfs/dbraw/zinc/38/96/24/935389624.db2.gz NVBZDUAEWFQHSM-GOTSBHOMSA-N 1 3 356.554 3.916 20 0 FHADHO O[C@@H](CC1CCCC1)CN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001167554330 935389629 /nfs/dbraw/zinc/38/96/29/935389629.db2.gz NVBZDUAEWFQHSM-GOTSBHOMSA-N 1 3 356.554 3.916 20 0 FHADHO C[C@@H](c1ccccc1)[NH+]1CCC(NCc2ccnn2-c2ccncc2)CC1 ZINC000657368345 935404551 /nfs/dbraw/zinc/40/45/51/935404551.db2.gz VRQCMENUDKIPFK-SFHVURJKSA-N 1 3 361.493 3.583 20 0 FHADHO CCCCOc1ccc(CNCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000657593750 936074338 /nfs/dbraw/zinc/07/43/38/936074338.db2.gz KFRINZQUKMFTIW-QFIPXVFZSA-N 1 3 368.521 3.722 20 0 FHADHO CCCCOc1ccc(CNCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000657593750 936074342 /nfs/dbraw/zinc/07/43/42/936074342.db2.gz KFRINZQUKMFTIW-QFIPXVFZSA-N 1 3 368.521 3.722 20 0 FHADHO Brc1cccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)c1 ZINC000657612276 936092109 /nfs/dbraw/zinc/09/21/09/936092109.db2.gz LMGBDMCHPNVGMN-UHFFFAOYSA-N 1 3 374.326 3.846 20 0 FHADHO CC(C)Cc1ncc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)s1 ZINC000657613185 936093784 /nfs/dbraw/zinc/09/37/84/936093784.db2.gz HPNJOYXBQHVABK-UHFFFAOYSA-N 1 3 358.555 3.738 20 0 FHADHO Brc1ccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1 ZINC000657612675 936098639 /nfs/dbraw/zinc/09/86/39/936098639.db2.gz OQSQJKZMNCQUAP-UHFFFAOYSA-N 1 3 374.326 3.846 20 0 FHADHO CCOc1ccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1F ZINC000657612885 936098754 /nfs/dbraw/zinc/09/87/54/936098754.db2.gz DHJGFXCXCXXIRJ-UHFFFAOYSA-N 1 3 357.473 3.621 20 0 FHADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C[C@@H](N)c2ccccc2)cc1 ZINC000237524265 936109226 /nfs/dbraw/zinc/10/92/26/936109226.db2.gz XJVDDKXTRQVJHA-PGRDOPGGSA-N 1 3 365.521 3.767 20 0 FHADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C[C@@H](N)c2ccccc2)cc1 ZINC000237524265 936109230 /nfs/dbraw/zinc/10/92/30/936109230.db2.gz XJVDDKXTRQVJHA-PGRDOPGGSA-N 1 3 365.521 3.767 20 0 FHADHO CC(=O)Nc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000080338842 938249312 /nfs/dbraw/zinc/24/93/12/938249312.db2.gz ZWQZNDNEUYLUAU-VGOFRKELSA-N 1 3 351.494 3.788 20 0 FHADHO CC(=O)Nc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000080338842 938249313 /nfs/dbraw/zinc/24/93/13/938249313.db2.gz ZWQZNDNEUYLUAU-VGOFRKELSA-N 1 3 351.494 3.788 20 0 FHADHO COCC[C@H](c1ccccc1)[NH+]1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000536034177 938261734 /nfs/dbraw/zinc/26/17/34/938261734.db2.gz BJEOGMJFEAZLOS-CNNODRBYSA-N 1 3 360.542 3.585 20 0 FHADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(Cc3cnc(-c4cccs4)s3)C2)C1 ZINC000650708151 938287932 /nfs/dbraw/zinc/28/79/32/938287932.db2.gz UJUIIMUFPDVXQZ-LZWOXQAQSA-N 1 3 363.552 3.590 20 0 FHADHO C[NH2+]Cc1ccccc1CNCc1ccc(OCC(F)(F)F)c(OC)c1 ZINC000650719420 938307795 /nfs/dbraw/zinc/30/77/95/938307795.db2.gz PNRZQENWJJANCZ-UHFFFAOYSA-N 1 3 368.399 3.646 20 0 FHADHO CCCN1CCC([NH2+]Cc2ccc(I)c(C)c2)CC1 ZINC000467378812 945167379 /nfs/dbraw/zinc/16/73/79/945167379.db2.gz XRIQQQMCVFQXPA-UHFFFAOYSA-N 1 3 372.294 3.564 20 0 FHADHO [NH3+]Cc1ccc(CN[C@H](Cc2ccccc2Cl)[C@H]2CCCO2)c(F)c1 ZINC000650756309 938415031 /nfs/dbraw/zinc/41/50/31/938415031.db2.gz ZDDHLDDASFAYLF-WOJBJXKFSA-N 1 3 362.876 3.818 20 0 FHADHO C[NH2+]Cc1ccccc1CN[C@@H](C)c1ccc(OC(F)F)c(OC)c1 ZINC000650758849 938429531 /nfs/dbraw/zinc/42/95/31/938429531.db2.gz ZAJLMTUNBSZJDN-ZDUSSCGKSA-N 1 3 350.409 3.867 20 0 FHADHO O=C(c1ccc(F)cc1)[C@@H]1CCCN(Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000584118209 938604825 /nfs/dbraw/zinc/60/48/25/938604825.db2.gz MPMOZPLNNQRKPR-LJQANCHMSA-N 1 3 352.453 3.566 20 0 FHADHO CC(C)[NH+]1CCC(N(C)CCC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000083169900 938815990 /nfs/dbraw/zinc/81/59/90/938815990.db2.gz NYJGCVJTNOBSOC-UHFFFAOYSA-N 1 3 371.447 3.839 20 0 FHADHO Cc1cc([C@@H](C)NCc2ccc(C(=O)NCC[NH+](C)C)cc2)cc(C)c1F ZINC000090038628 938868128 /nfs/dbraw/zinc/86/81/28/938868128.db2.gz VKWWYCAUSPWEMN-QGZVFWFLSA-N 1 3 371.500 3.585 20 0 FHADHO CC[C@H](NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cc(C)ccc1OC ZINC000658141446 939035134 /nfs/dbraw/zinc/03/51/34/939035134.db2.gz XDBNFHSIPFIOIH-IRLDBZIGSA-N 1 3 368.521 3.811 20 0 FHADHO CC[C@H](NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cc(C)ccc1OC ZINC000658141446 939035136 /nfs/dbraw/zinc/03/51/36/939035136.db2.gz XDBNFHSIPFIOIH-IRLDBZIGSA-N 1 3 368.521 3.811 20 0 FHADHO CSc1ccc([C@@H](C)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1F ZINC000658142147 939035575 /nfs/dbraw/zinc/03/55/75/939035575.db2.gz VCFULSFEYPPMAE-BEFAXECRSA-N 1 3 374.525 3.965 20 0 FHADHO CSc1ccc([C@@H](C)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1F ZINC000658142147 939035580 /nfs/dbraw/zinc/03/55/80/939035580.db2.gz VCFULSFEYPPMAE-BEFAXECRSA-N 1 3 374.525 3.965 20 0 FHADHO O[C@@H]1CC[N@H+](Cc2ccc(CN[C@@H]3CCSc4ccccc43)cc2)C1 ZINC000658142222 939036236 /nfs/dbraw/zinc/03/62/36/939036236.db2.gz DNQOUMDXGSQJNA-UYAOXDASSA-N 1 3 354.519 3.580 20 0 FHADHO O[C@@H]1CC[N@@H+](Cc2ccc(CN[C@@H]3CCSc4ccccc43)cc2)C1 ZINC000658142222 939036240 /nfs/dbraw/zinc/03/62/40/939036240.db2.gz DNQOUMDXGSQJNA-UYAOXDASSA-N 1 3 354.519 3.580 20 0 FHADHO O[C@@H]1CC[N@H+](Cc2ccc(CN[C@@H]3CCSc4ccc(F)cc43)cc2)C1 ZINC000658137840 939040770 /nfs/dbraw/zinc/04/07/70/939040770.db2.gz IMUZXFQVSQXJDK-UYAOXDASSA-N 1 3 372.509 3.719 20 0 FHADHO O[C@@H]1CC[N@@H+](Cc2ccc(CN[C@@H]3CCSc4ccc(F)cc43)cc2)C1 ZINC000658137840 939040772 /nfs/dbraw/zinc/04/07/72/939040772.db2.gz IMUZXFQVSQXJDK-UYAOXDASSA-N 1 3 372.509 3.719 20 0 FHADHO COc1ccc(C)cc1[C@@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658165759 939053308 /nfs/dbraw/zinc/05/33/08/939053308.db2.gz LPBPTSBKNODSRW-GOSISDBHSA-N 1 3 353.510 3.961 20 0 FHADHO CC(=O)Nc1cccc([C@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)c1 ZINC000658166117 939054412 /nfs/dbraw/zinc/05/44/12/939054412.db2.gz MQLWXWJHYCIICH-KRWDZBQOSA-N 1 3 366.509 3.603 20 0 FHADHO c1cncc([C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C2CCC2)c1 ZINC000658167335 939055099 /nfs/dbraw/zinc/05/50/99/939055099.db2.gz RQPCOWJKXOZSDT-QFIPXVFZSA-N 1 3 350.510 3.820 20 0 FHADHO COc1ccc([C@@H](C)NCC2(C)CC[NH+](C)CC2)c(Br)c1 ZINC000507424930 945227523 /nfs/dbraw/zinc/22/75/23/945227523.db2.gz FGRZZAFZPGPINA-CYBMUJFWSA-N 1 3 355.320 3.840 20 0 FHADHO C[C@H](c1ccccc1)[C@H](O)CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000658338598 939117092 /nfs/dbraw/zinc/11/70/92/939117092.db2.gz FQIWGUBGVYPRPK-XNZCMHNBSA-N 1 3 364.533 3.936 20 0 FHADHO C[C@H](c1ccccc1)[C@H](O)CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000658338598 939117094 /nfs/dbraw/zinc/11/70/94/939117094.db2.gz FQIWGUBGVYPRPK-XNZCMHNBSA-N 1 3 364.533 3.936 20 0 FHADHO FC(F)(F)CSCC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000507472098 945257583 /nfs/dbraw/zinc/25/75/83/945257583.db2.gz QHTAFLSTIOHJJF-IXDOHACOSA-N 1 3 358.473 3.782 20 0 FHADHO c1[nH]c2ncccc2c1CC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000507508240 945287542 /nfs/dbraw/zinc/28/75/42/945287542.db2.gz JHQSITUYCKCNHE-KSEOMHKRSA-N 1 3 360.505 3.606 20 0 FHADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C2CC2)cc1 ZINC000507508670 945288763 /nfs/dbraw/zinc/28/87/63/945288763.db2.gz KAAUVLCYSPJWHO-FGZHOGPDSA-N 1 3 369.553 3.571 20 0 FHADHO c1ccc(CN2CCCC[C@@H](C[NH2+][C@@H]3CCOC4(CCOCC4)C3)C2)cc1 ZINC000312991804 945311534 /nfs/dbraw/zinc/31/15/34/945311534.db2.gz XTDCFNMHQCUAFU-FCHUYYIVSA-N 1 3 372.553 3.607 20 0 FHADHO COc1cc(C)c(C[N@@H+]2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)c(C)n1 ZINC000685850906 940467364 /nfs/dbraw/zinc/46/73/64/940467364.db2.gz MAAMEDKUERKJIW-RTWAWAEBSA-N 1 3 365.521 3.661 20 0 FHADHO COc1cc(C)c(C[N@H+]2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)c(C)n1 ZINC000685850906 940467366 /nfs/dbraw/zinc/46/73/66/940467366.db2.gz MAAMEDKUERKJIW-RTWAWAEBSA-N 1 3 365.521 3.661 20 0 FHADHO CC[C@@H]([NH2+]C1CCN(CC(C)C)CC1)c1cc(OC)c(OC)c(OC)c1 ZINC000652137220 945325363 /nfs/dbraw/zinc/32/53/63/945325363.db2.gz CWUJSYAAJXOPEN-GOSISDBHSA-N 1 3 364.530 3.874 20 0 FHADHO Fc1ccc(-c2noc([C@@H]3CCC[N@H+](CCCN4CCCCC4)C3)n2)cc1 ZINC000161751127 940495486 /nfs/dbraw/zinc/49/54/86/940495486.db2.gz UTHYVOSHCHUKEG-GOSISDBHSA-N 1 3 372.488 3.931 20 0 FHADHO Fc1ccc(-c2noc([C@@H]3CCC[N@@H+](CCCN4CCCCC4)C3)n2)cc1 ZINC000161751127 940495487 /nfs/dbraw/zinc/49/54/87/940495487.db2.gz UTHYVOSHCHUKEG-GOSISDBHSA-N 1 3 372.488 3.931 20 0 FHADHO CC(C)N1CCC([NH2+][C@@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000174295986 940718373 /nfs/dbraw/zinc/71/83/73/940718373.db2.gz MITOHHHXWIPYAN-MSOLQXFVSA-N 1 3 371.569 3.594 20 0 FHADHO CN1CC[C@]2(C1)CCC[N@H+](Cc1ccc(C(=O)Nc3ccccc3)cc1)C2 ZINC000660652038 945354428 /nfs/dbraw/zinc/35/44/28/945354428.db2.gz FIFBSSZZTWZJSM-QHCPKHFHSA-N 1 3 363.505 3.857 20 0 FHADHO CN1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(C(=O)Nc3ccccc3)cc1)C2 ZINC000660652038 945354439 /nfs/dbraw/zinc/35/44/39/945354439.db2.gz FIFBSSZZTWZJSM-QHCPKHFHSA-N 1 3 363.505 3.857 20 0 FHADHO OC1(CN[C@@H]2CCc3c2c(F)ccc3F)CC[NH+](Cc2ccccc2)CC1 ZINC000414294406 940908373 /nfs/dbraw/zinc/90/83/73/940908373.db2.gz CEPLUTKEBHXGPC-HXUWFJFHSA-N 1 3 372.459 3.569 20 0 FHADHO COc1ccc(OC(F)F)c(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647544402 941064143 /nfs/dbraw/zinc/06/41/43/941064143.db2.gz ZUCOOPIGDXMMIO-HUUCEWRRSA-N 1 3 354.441 3.508 20 0 FHADHO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]C2CCN(CC3CCCC3)CC2)C1 ZINC000892749445 941510591 /nfs/dbraw/zinc/51/05/91/941510591.db2.gz FJUOHDPMQQWKHK-IZAXUBKRSA-N 1 3 365.562 3.534 20 0 FHADHO C[C@@H](CCC[NH3+])NCc1csc(-c2cccc(Br)c2)n1 ZINC000415024372 941547467 /nfs/dbraw/zinc/54/74/67/941547467.db2.gz OVZDOYUUJINKBH-NSHDSACASA-N 1 3 354.317 3.790 20 0 FHADHO CCN1CCN(c2cccc(N[C@@H]3CC[NH2+][C@H](c4ccccc4)C3)c2)CC1 ZINC000415092457 941601460 /nfs/dbraw/zinc/60/14/60/941601460.db2.gz AQXYOJVCCPGNCD-GGAORHGYSA-N 1 3 364.537 3.734 20 0 FHADHO CCN1CCN(c2cccc(N[C@H]3CC[NH2+][C@H](c4ccccc4)C3)c2)CC1 ZINC000415092458 941601712 /nfs/dbraw/zinc/60/17/12/941601712.db2.gz AQXYOJVCCPGNCD-GMAHTHKFSA-N 1 3 364.537 3.734 20 0 FHADHO [NH3+][C@H]1CCO[C@H](C2CCN(Cc3ccc(-c4ccccc4F)o3)CC2)C1 ZINC000415122717 941619440 /nfs/dbraw/zinc/61/94/40/941619440.db2.gz KLOSLIIRJPURGL-KKSFZXQISA-N 1 3 358.457 3.804 20 0 FHADHO [NH3+][C@H]1CCO[C@H](C2CCN(CCCc3c(F)cccc3Cl)CC2)C1 ZINC000415127766 941622703 /nfs/dbraw/zinc/62/27/03/941622703.db2.gz RETYMQSTSPJLGY-KXBFYZLASA-N 1 3 354.897 3.630 20 0 FHADHO COC1CCN(C(C)(C)C[NH2+][C@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC1 ZINC000513231106 941788609 /nfs/dbraw/zinc/78/86/09/941788609.db2.gz BTSXYFXVKUEYKU-CTNGQTDRSA-N 1 3 373.585 3.519 20 0 FHADHO Clc1cc(Cl)cc(CC[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)c1 ZINC000893014013 941881431 /nfs/dbraw/zinc/88/14/31/941881431.db2.gz VCMSIFQREZACNC-HNNXBMFYSA-N 1 3 357.325 3.626 20 0 FHADHO CCOc1cccc(CNCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)n1 ZINC000513510283 941972053 /nfs/dbraw/zinc/97/20/53/941972053.db2.gz AWVLQYFUFFCFAP-QUCCMNQESA-N 1 3 353.510 3.871 20 0 FHADHO CCOc1cccc(CNCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000513510283 941972055 /nfs/dbraw/zinc/97/20/55/941972055.db2.gz AWVLQYFUFFCFAP-QUCCMNQESA-N 1 3 353.510 3.871 20 0 FHADHO CC(C)N1CCN(CCC[NH2+][C@H](C)c2ccc(Br)s2)CC1 ZINC000501927495 942117204 /nfs/dbraw/zinc/11/72/04/942117204.db2.gz KFERDPWZEQTJAF-CQSZACIVSA-N 1 3 374.392 3.577 20 0 FHADHO C[NH2+]Cc1ccccc1NC(=O)N1CCN(C2CCC(C(C)C)CC2)CC1 ZINC000415914020 942136969 /nfs/dbraw/zinc/13/69/69/942136969.db2.gz UAQDJDJARASYJW-UHFFFAOYSA-N 1 3 372.557 3.770 20 0 FHADHO CC[NH2+]Cc1cccc(NC(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)c1 ZINC000415928528 942164769 /nfs/dbraw/zinc/16/47/69/942164769.db2.gz FRKSOQTXDIVIDP-LJQANCHMSA-N 1 3 374.916 3.874 20 0 FHADHO CC[NH2+]Cc1cccc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)c1 ZINC000415931337 942166613 /nfs/dbraw/zinc/16/66/13/942166613.db2.gz KTGYNOMTTQRZQE-DYESRHJHSA-N 1 3 366.509 3.581 20 0 FHADHO C[NH2+]Cc1cccc(NC(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)c1 ZINC000415943299 942173890 /nfs/dbraw/zinc/17/38/90/942173890.db2.gz LJBSGKCKQQQSMV-GOSISDBHSA-N 1 3 366.509 3.534 20 0 FHADHO CC[NH2+]Cc1ccccc1NC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000415942923 942174597 /nfs/dbraw/zinc/17/45/97/942174597.db2.gz KSLIYGHALMOOGN-OAQYLSRUSA-N 1 3 366.509 3.755 20 0 FHADHO C[NH2+]Cc1ccc(NC(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000415974141 942210866 /nfs/dbraw/zinc/21/08/66/942210866.db2.gz PYJJPEOHLANJRW-NRFANRHFSA-N 1 3 366.509 3.534 20 0 FHADHO C[NH2+]Cc1ccc(NC(=O)N(CCN(C)C)Cc2cccc(Cl)c2)cc1 ZINC000415974238 942211319 /nfs/dbraw/zinc/21/13/19/942211319.db2.gz QMCCDCMDWLJQSM-UHFFFAOYSA-N 1 3 374.916 3.655 20 0 FHADHO CC(C)N1CCN(CCC[NH2+][C@@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000501009567 942255815 /nfs/dbraw/zinc/25/58/15/942255815.db2.gz CZDSLYDZQQJCAJ-INIZCTEOSA-N 1 3 357.464 3.772 20 0 FHADHO CN(Cc1cn(-c2ccccc2)nc1C(C)(C)C)CC1CC[NH+](C)CC1 ZINC000513713758 942475330 /nfs/dbraw/zinc/47/53/30/942475330.db2.gz SSHSCZGHFGSBNY-UHFFFAOYSA-N 1 3 354.542 3.943 20 0 FHADHO Cc1ccnc([C@@H](C)[NH2+]CCCCN2CCN(c3ccccc3)CC2)c1 ZINC000513713746 942475365 /nfs/dbraw/zinc/47/53/65/942475365.db2.gz SNCOGEUYPYJCPK-HXUWFJFHSA-N 1 3 352.526 3.643 20 0 FHADHO Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000420301807 942611317 /nfs/dbraw/zinc/61/13/17/942611317.db2.gz AZPUBNFRYBIPJA-RXVVDRJESA-N 1 3 351.494 3.736 20 0 FHADHO COC(=O)c1sc2ccccc2c1CN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000420324603 942617442 /nfs/dbraw/zinc/61/74/42/942617442.db2.gz ZXDJJGBLDKLBFP-HNNXBMFYSA-N 1 3 358.507 3.509 20 0 FHADHO O=C(Nc1ccccc1)c1cccc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000420338621 942623044 /nfs/dbraw/zinc/62/30/44/942623044.db2.gz PUXFCDGCWMVLCW-QFIPXVFZSA-N 1 3 363.505 3.903 20 0 FHADHO O=C(Nc1ccccc1)c1cccc(CN2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000420338620 942623309 /nfs/dbraw/zinc/62/33/09/942623309.db2.gz PUXFCDGCWMVLCW-JOCHJYFZSA-N 1 3 363.505 3.903 20 0 FHADHO Cc1ccc(-c2noc([C@H](C)N3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)n2)cc1F ZINC000420341985 942624814 /nfs/dbraw/zinc/62/48/14/942624814.db2.gz PDDWUEOLQAUESH-UAGQMJEPSA-N 1 3 358.461 3.567 20 0 FHADHO CCSc1cccc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)c1 ZINC000414524982 942628296 /nfs/dbraw/zinc/62/82/96/942628296.db2.gz LJEBLLNYQVSWFF-UHFFFAOYSA-N 1 3 370.562 3.915 20 0 FHADHO [NH3+][C@@H]1CCO[C@H](C2CCN(CCOc3ccc(Cl)cc3Cl)CC2)C1 ZINC000420398455 942655382 /nfs/dbraw/zinc/65/53/82/942655382.db2.gz YSTUPMZEJQQUHK-QAPCUYQASA-N 1 3 373.324 3.591 20 0 FHADHO NC1(C[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)CCCCC1 ZINC000414847393 942760021 /nfs/dbraw/zinc/76/00/21/942760021.db2.gz UWQWYFDBBIYGJJ-UHFFFAOYSA-N 1 3 353.913 3.695 20 0 FHADHO CC[NH+](CC)CCCC1CCN(C[C@H](O)c2ccc(F)cc2F)CC1 ZINC000182769299 942785347 /nfs/dbraw/zinc/78/53/47/942785347.db2.gz BZGWEXZPKRKESK-FQEVSTJZSA-N 1 3 354.485 3.832 20 0 FHADHO OC1CC[NH+](Cc2ccc(CN[C@H](c3cccnc3)C3CCC3)cc2)CC1 ZINC000280810826 942786247 /nfs/dbraw/zinc/78/62/47/942786247.db2.gz JDPMYQCDVCJAQM-QHCPKHFHSA-N 1 3 365.521 3.669 20 0 FHADHO CC(=O)Nc1cccc(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000272381946 943146402 /nfs/dbraw/zinc/14/64/02/943146402.db2.gz BZCQXFGIUIVYBF-UWJYYQICSA-N 1 3 351.494 3.645 20 0 FHADHO Cc1nc(COc2ccc(CN3C[C@H](C[NH3+])[C@H](C)C[C@@H]3C)cc2)cs1 ZINC000422560669 943182180 /nfs/dbraw/zinc/18/21/80/943182180.db2.gz HKKLLIXZAJAYDC-VKJFTORMSA-N 1 3 359.539 3.836 20 0 FHADHO Cc1nc(COc2ccc(CN3C[C@H](C[NH3+])[C@H](C)C[C@H]3C)cc2)cs1 ZINC000422560668 943182464 /nfs/dbraw/zinc/18/24/64/943182464.db2.gz HKKLLIXZAJAYDC-RKVPGOIHSA-N 1 3 359.539 3.836 20 0 FHADHO O[C@H](CN1CCC(C[NH+]2CCCC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000047968226 943237116 /nfs/dbraw/zinc/23/71/16/943237116.db2.gz XYFNHAVTTGLAHO-GOSISDBHSA-N 1 3 356.432 3.547 20 0 FHADHO N[C@H]1C[C@@H]([NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)c2ccccc21 ZINC000422699789 943237958 /nfs/dbraw/zinc/23/79/58/943237958.db2.gz BARWHGMEOKXRLH-LEWJYISDSA-N 1 3 357.448 3.664 20 0 FHADHO [NH3+][C@H]1C[C@@H](NC2CCN(Cc3ccc(F)c(F)c3)CC2)c2ccccc21 ZINC000422699789 943237966 /nfs/dbraw/zinc/23/79/66/943237966.db2.gz BARWHGMEOKXRLH-LEWJYISDSA-N 1 3 357.448 3.664 20 0 FHADHO CCOc1ccccc1Oc1ccc(CN[C@@H]2CCCC[C@@H]2C[NH3+])cn1 ZINC000422690785 943245781 /nfs/dbraw/zinc/24/57/81/943245781.db2.gz GWRVWJOIEQFWKC-QZTJIDSGSA-N 1 3 355.482 3.880 20 0 FHADHO NC[C@H]1CCC[C@H]1[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000422734753 943251564 /nfs/dbraw/zinc/25/15/64/943251564.db2.gz TXNNTEPMGWNATK-RDTXWAMCSA-N 1 3 356.341 3.675 20 0 FHADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1cccc(NC(=O)c2cccc(F)c2)c1 ZINC000422714786 943253959 /nfs/dbraw/zinc/25/39/59/943253959.db2.gz RNFBHBTZNJFATA-PXNSSMCTSA-N 1 3 355.457 3.685 20 0 FHADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000422714473 943254143 /nfs/dbraw/zinc/25/41/43/943254143.db2.gz RBRBGQVWDYDEPT-LPHOPBHVSA-N 1 3 369.475 3.777 20 0 FHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000422769310 943276657 /nfs/dbraw/zinc/27/66/57/943276657.db2.gz OPIYSFMMVDYKAN-VFNWGFHPSA-N 1 3 355.482 3.668 20 0 FHADHO COc1ccc(C[C@@H](N[C@H]2CCC[NH2+]CC2)c2ccc(OC)cc2)cc1 ZINC000422771848 943277519 /nfs/dbraw/zinc/27/75/19/943277519.db2.gz RRFYTILEDBBHFG-SIKLNZKXSA-N 1 3 354.494 3.719 20 0 FHADHO c1ccc2c(c1)cccc2CSCCN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422765033 943284865 /nfs/dbraw/zinc/28/48/65/943284865.db2.gz PYLKVNXOBHBVGN-YPAWHYETSA-N 1 3 370.562 3.820 20 0 FHADHO CCOCc1ccccc1CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422810009 943290781 /nfs/dbraw/zinc/29/07/81/943290781.db2.gz QSOIRWRCJOSPAF-IFMALSPDSA-N 1 3 352.478 3.569 20 0 FHADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000422810657 943291923 /nfs/dbraw/zinc/29/19/23/943291923.db2.gz UNXLNTRNYDYECB-KGLIPLIRSA-N 1 3 352.482 3.609 20 0 FHADHO Cc1ccc([C@H](C[NH2+][C@H](Cc2ccccc2)[C@@H](C)N)N2CCCC2)cc1 ZINC000422822304 943296768 /nfs/dbraw/zinc/29/67/68/943296768.db2.gz AODMPWHEOFKLFN-PTUXOGIPSA-N 1 3 351.538 3.680 20 0 FHADHO C[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)Oc1ccccc1Br ZINC000422837976 943301146 /nfs/dbraw/zinc/30/11/46/943301146.db2.gz NJAMLHAPYUKBNM-MUIFIZLQSA-N 1 3 367.331 3.727 20 0 FHADHO C[C@H](C[NH2+][C@@H]1C[C@H](N)c2ccccc21)Oc1ccccc1Br ZINC000422841276 943302005 /nfs/dbraw/zinc/30/20/05/943302005.db2.gz VLNCNJRJDPHPEI-OAUYIBNBSA-N 1 3 361.283 3.951 20 0 FHADHO NC[C@@H]1CCC[C@@H]1[NH2+]CC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000422877243 943313611 /nfs/dbraw/zinc/31/36/11/943313611.db2.gz HMEDQUYWKIPEHG-GUYCJALGSA-N 1 3 357.325 3.759 20 0 FHADHO Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+][C@H](C)c2ccc(CN)nc2C)C1 ZINC000422875989 943313789 /nfs/dbraw/zinc/31/37/89/943313789.db2.gz FAHNYFKIODQAEN-NVXWUHKLSA-N 1 3 372.944 3.988 20 0 FHADHO C[C@H](NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1)c1cnccc1N ZINC000422889987 943319732 /nfs/dbraw/zinc/31/97/32/943319732.db2.gz HECBQSXPRGKIAD-KURKYZTESA-N 1 3 352.526 3.823 20 0 FHADHO COc1ccc(Cl)cc1C1(C[NH2+][C@H]2CCCC[C@H]2CN)CCOCC1 ZINC000422906355 943326648 /nfs/dbraw/zinc/32/66/48/943326648.db2.gz UVHHGDUNDQEWCZ-YJBOKZPZSA-N 1 3 366.933 3.504 20 0 FHADHO [NH3+][C@@H]1CC[C@H]2CN(Cc3cccc(NC(=O)c4ccccc4Cl)c3)C[C@H]12 ZINC000435379155 943368524 /nfs/dbraw/zinc/36/85/24/943368524.db2.gz LFCJNUUZOLSUQW-ZAAXVRCTSA-N 1 3 369.896 3.761 20 0 FHADHO N[C@H]1CCC[C@H]1[NH2+]CCOc1c(Cl)cc(Br)cc1Cl ZINC000423022827 943369686 /nfs/dbraw/zinc/36/96/86/943369686.db2.gz FZRHSUXOOHWYOM-NWDGAFQWSA-N 1 3 368.102 3.604 20 0 FHADHO C[C@H]1CC[NH2+]C[C@H]1NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000423036503 943373184 /nfs/dbraw/zinc/37/31/84/943373184.db2.gz UEUNSZRWQFXSGR-SCLBCKFNSA-N 1 3 356.341 3.545 20 0 FHADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000423036964 943373336 /nfs/dbraw/zinc/37/33/36/943373336.db2.gz AYIYOAOXBJVPPP-YYFZDKIDSA-N 1 3 361.892 3.606 20 0 FHADHO Fc1ccc(N2CC[C@H](N[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1Cl ZINC000423040650 943375084 /nfs/dbraw/zinc/37/50/84/943375084.db2.gz HSHYQOUXJWDNGN-ARKSPBFVSA-N 1 3 351.897 3.568 20 0 FHADHO NC[C@@H]1CCCC[C@H]1[NH2+][C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000423097925 943393344 /nfs/dbraw/zinc/39/33/44/943393344.db2.gz RNAWCBIOICIQFD-AYMQEEERSA-N 1 3 355.295 3.941 20 0 FHADHO FC(F)O[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000503885226 943402495 /nfs/dbraw/zinc/40/24/95/943402495.db2.gz KPKDSWMFKBEERW-UURKPOQGSA-N 1 3 350.453 3.647 20 0 FHADHO c1cc(CN(Cc2ccc3c[nH]nc3c2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000435426644 943405881 /nfs/dbraw/zinc/40/58/81/943405881.db2.gz JHGBJTPXMQOWDC-LJQANCHMSA-N 1 3 352.507 3.769 20 0 FHADHO CCC1CCC(N(C)C(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)CC1 ZINC000514948174 943414551 /nfs/dbraw/zinc/41/45/51/943414551.db2.gz WEFUFTAEWYXYHN-UHFFFAOYSA-N 1 3 363.590 3.610 20 0 FHADHO CCc1ccc(C[C@H](Cc2ccc(Cl)cc2)[NH2+]C2CCNCC2)nc1 ZINC000423177940 943428472 /nfs/dbraw/zinc/42/84/72/943428472.db2.gz FGKMUYLHGSRSCP-NRFANRHFSA-N 1 3 357.929 3.793 20 0 FHADHO CCc1ccc(C[C@H](Cc2ccc(Cl)cc2)NC2CC[NH2+]CC2)nc1 ZINC000423177940 943428475 /nfs/dbraw/zinc/42/84/75/943428475.db2.gz FGKMUYLHGSRSCP-NRFANRHFSA-N 1 3 357.929 3.793 20 0 FHADHO COc1ccc(C[C@@H](NC[C@H]2CCC[NH2+]C2)c2ccc(OC)cc2)cc1 ZINC000423206040 943431024 /nfs/dbraw/zinc/43/10/24/943431024.db2.gz FPZBOMMNWZBOFH-PGRDOPGGSA-N 1 3 354.494 3.577 20 0 FHADHO C[C@@H]([NH3+])c1ccc(CN[C@H](C)c2ccc(OCc3nccn3C)cc2)cc1 ZINC000423291903 943466000 /nfs/dbraw/zinc/46/60/00/943466000.db2.gz KLQXFOQFYKAIBX-IAGOWNOFSA-N 1 3 364.493 3.870 20 0 FHADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](NC[C@H]2NCCc4ccccc42)C3)cc1 ZINC000423437883 943519209 /nfs/dbraw/zinc/51/92/09/943519209.db2.gz ULNWMWYRAUIOHG-PIATZUFCSA-N 1 3 361.533 3.659 20 0 FHADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](NC[C@H]2NCCc4ccccc42)C3)cc1 ZINC000423437883 943519211 /nfs/dbraw/zinc/51/92/11/943519211.db2.gz ULNWMWYRAUIOHG-PIATZUFCSA-N 1 3 361.533 3.659 20 0 FHADHO CO[C@H](c1ccccc1)[C@@H](C)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423465320 943523255 /nfs/dbraw/zinc/52/32/55/943523255.db2.gz HRJYGTMBLXGIHW-SAIGTISXSA-N 1 3 356.485 3.885 20 0 FHADHO COc1ccc([C@@H](C)N[C@@H](CCC[NH3+])c2ccccc2)cc1NC(C)=O ZINC000423501020 943529971 /nfs/dbraw/zinc/52/99/71/943529971.db2.gz KUVJJFHMPLIHLC-BEFAXECRSA-N 1 3 355.482 3.784 20 0 FHADHO CC[C@@H](NCC1([NH3+])CCN(Cc2ccccc2)CC1)c1cc(F)ccc1F ZINC000423579906 943563205 /nfs/dbraw/zinc/56/32/05/943563205.db2.gz WVTKWCSSRHMHMF-OAQYLSRUSA-N 1 3 373.491 3.999 20 0 FHADHO CC[N@H+](Cc1ccc(C(=O)NCCN(C)Cc2ccccc2)cc1)C1CC1 ZINC000511627256 943602416 /nfs/dbraw/zinc/60/24/16/943602416.db2.gz JFIBXCWESAGJAY-UHFFFAOYSA-N 1 3 365.521 3.533 20 0 FHADHO CC[N@@H+](Cc1ccc(C(=O)NCCN(C)Cc2ccccc2)cc1)C1CC1 ZINC000511627256 943602419 /nfs/dbraw/zinc/60/24/19/943602419.db2.gz JFIBXCWESAGJAY-UHFFFAOYSA-N 1 3 365.521 3.533 20 0 FHADHO CCN(CC)[C@@H](CNC(=O)c1ccc([C@@H](C)[NH3+])cc1)c1cccc(OC)c1 ZINC000563065002 943761957 /nfs/dbraw/zinc/76/19/57/943761957.db2.gz BMSPCNLQFKHYAC-IERDGZPVSA-N 1 3 369.509 3.528 20 0 FHADHO C[C@@H]1C[N@H+](CCCN[C@@H](Cc2ccncc2)c2cccs2)CCCO1 ZINC000424279032 943834230 /nfs/dbraw/zinc/83/42/30/943834230.db2.gz JWEPIDZNDRBXRT-MJGOQNOKSA-N 1 3 359.539 3.517 20 0 FHADHO C[C@@H]1C[N@@H+](CCCN[C@@H](Cc2ccncc2)c2cccs2)CCCO1 ZINC000424279032 943834234 /nfs/dbraw/zinc/83/42/34/943834234.db2.gz JWEPIDZNDRBXRT-MJGOQNOKSA-N 1 3 359.539 3.517 20 0 FHADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(Cc2ccccc2C(=O)N(C)C)CC1 ZINC000417779304 943876442 /nfs/dbraw/zinc/87/64/42/943876442.db2.gz GSHJYMXMBSNOQP-IBGZPJMESA-N 1 3 371.569 3.865 20 0 FHADHO C[C@H]1CCCC[N@H+]1CCC1CCN(Cc2ccccc2C(=O)N(C)C)CC1 ZINC000417779304 943876457 /nfs/dbraw/zinc/87/64/57/943876457.db2.gz GSHJYMXMBSNOQP-IBGZPJMESA-N 1 3 371.569 3.865 20 0 FHADHO CCOc1cc(CN2CC3(C[C@H]2C)CC[NH2+]CC3)cc(Cl)c1OC ZINC000424385724 943892607 /nfs/dbraw/zinc/89/26/07/943892607.db2.gz WLYNLRKHEVFVFW-CQSZACIVSA-N 1 3 352.906 3.711 20 0 FHADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)CCC(=O)OC(C)(C)C)C2)s1 ZINC000517033939 943929731 /nfs/dbraw/zinc/92/97/31/943929731.db2.gz PTQMOJMGARDEAV-MRXNPFEDSA-N 1 3 352.544 3.542 20 0 FHADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)CCC(=O)OC(C)(C)C)C2)s1 ZINC000517033939 943929734 /nfs/dbraw/zinc/92/97/34/943929734.db2.gz PTQMOJMGARDEAV-MRXNPFEDSA-N 1 3 352.544 3.542 20 0 FHADHO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@H]1CCCC[C@@H]1CN ZINC000414790325 943938541 /nfs/dbraw/zinc/93/85/41/943938541.db2.gz AAXDVWJUKRBRJX-NFAWXSAZSA-N 1 3 357.420 3.530 20 0 FHADHO CCOc1cc(CN[C@@H]2CCCC[C@@H]2C[NH3+])ccc1OCC(F)(F)F ZINC000414794935 943971333 /nfs/dbraw/zinc/97/13/33/943971333.db2.gz GGZXRWIENQELSE-HUUCEWRRSA-N 1 3 360.420 3.634 20 0 FHADHO C[NH+]1CCC(CCN2CCN(c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC001207487300 944014195 /nfs/dbraw/zinc/01/41/95/944014195.db2.gz XEEVSUSOFRAVCW-UHFFFAOYSA-N 1 3 356.341 3.847 20 0 FHADHO CC[NH+](CC)Cc1cccc(CN[C@@H](C)c2ccc3c(c2)OCC(=O)N3)c1 ZINC000285494257 944015631 /nfs/dbraw/zinc/01/56/31/944015631.db2.gz CFHPYSOINXRNQB-INIZCTEOSA-N 1 3 367.493 3.710 20 0 FHADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@](C)(CCc3ccccc3)C2)CC1 ZINC000500095606 944088431 /nfs/dbraw/zinc/08/84/31/944088431.db2.gz GKYQDJRFZDRJRE-QHCPKHFHSA-N 1 3 357.586 3.747 20 0 FHADHO CC(C)N1CCN(CCC[N@H+]2CC[C@](C)(CCc3ccccc3)C2)CC1 ZINC000500095606 944088442 /nfs/dbraw/zinc/08/84/42/944088442.db2.gz GKYQDJRFZDRJRE-QHCPKHFHSA-N 1 3 357.586 3.747 20 0 FHADHO CCCCN1CCC([NH2+]Cc2ccc(OCC(F)(F)F)c(OC)c2)CC1 ZINC000101595835 944276312 /nfs/dbraw/zinc/27/63/12/944276312.db2.gz SCRDAZWSIJUSDT-UHFFFAOYSA-N 1 3 374.447 3.990 20 0 FHADHO C[C@@H](C[NH2+]C1CCN(CCc2ccc(F)cc2)CC1)N1CCCC[C@@H]1C ZINC000518426207 944370424 /nfs/dbraw/zinc/37/04/24/944370424.db2.gz CBHPDSZNSOXWKC-OALUTQOASA-N 1 3 361.549 3.685 20 0 FHADHO Cc1cc(OC[C@H](O)CN[C@H]2CC[N@H+](C)[C@H](C)C2)c(C(C)C)cc1Cl ZINC000516175893 944559302 /nfs/dbraw/zinc/55/93/02/944559302.db2.gz XDJDTFUZXQKYMN-IXDOHACOSA-N 1 3 368.949 3.584 20 0 FHADHO Cc1cc(OC[C@H](O)CN[C@H]2CC[N@@H+](C)[C@H](C)C2)c(C(C)C)cc1Cl ZINC000516175893 944559312 /nfs/dbraw/zinc/55/93/12/944559312.db2.gz XDJDTFUZXQKYMN-IXDOHACOSA-N 1 3 368.949 3.584 20 0 FHADHO c1ccc(CN2C[C@@H](C[NH2+]C[C@H]3CC=CCC3)C3(C2)CCOCC3)cc1 ZINC000550270243 944649687 /nfs/dbraw/zinc/64/96/87/944649687.db2.gz KJWSUSWKMLNTPU-RBBKRZOGSA-N 1 3 354.538 3.861 20 0 FHADHO CCCC[N@H+](C)CC1CCN(Cc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000506890212 944731308 /nfs/dbraw/zinc/73/13/08/944731308.db2.gz KQOGQLJMRMNPEJ-UHFFFAOYSA-N 1 3 358.505 3.955 20 0 FHADHO CCCC[N@@H+](C)CC1CCN(Cc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000506890212 944731315 /nfs/dbraw/zinc/73/13/15/944731315.db2.gz KQOGQLJMRMNPEJ-UHFFFAOYSA-N 1 3 358.505 3.955 20 0 FHADHO CC(C)[C@@H](C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)N1CCCCC1 ZINC000518806890 944788048 /nfs/dbraw/zinc/78/80/48/944788048.db2.gz YISFRAFNQODZHF-ICSRJNTNSA-N 1 3 359.558 3.743 20 0 FHADHO CC(C)[C@@H](C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1)N1CCCCC1 ZINC000518806891 944788247 /nfs/dbraw/zinc/78/82/47/944788247.db2.gz YISFRAFNQODZHF-QUCCMNQESA-N 1 3 359.558 3.743 20 0 FHADHO C[NH+](C)[C@@H](CNC(=O)c1cccc(CN2CCCC2)c1)C1CCCCC1 ZINC000516396304 944814551 /nfs/dbraw/zinc/81/45/51/944814551.db2.gz KEGSFBCYJDMNGW-NRFANRHFSA-N 1 3 357.542 3.523 20 0 FHADHO [NH3+]C[C@H](NC1CCN(CCC(F)(F)F)CC1)c1ccc2ccccc2c1 ZINC000414939696 944885672 /nfs/dbraw/zinc/88/56/72/944885672.db2.gz JKFLLWIASFLLJN-IBGZPJMESA-N 1 3 365.443 3.846 20 0 FHADHO COc1ccccc1C[C@H](C)[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000415004961 944959457 /nfs/dbraw/zinc/95/94/57/944959457.db2.gz OMDNFZHRUOGUFG-NBHGPNQESA-N 1 3 356.485 3.748 20 0 FHADHO C[C@@H]1CC(N2CCC[C@@]3(CCCC(=O)N3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168048173 945388739 /nfs/dbraw/zinc/38/87/39/945388739.db2.gz UXBHMMIOEPABDM-PWHSHALESA-N 1 3 369.553 3.563 20 0 FHADHO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000519480383 945464329 /nfs/dbraw/zinc/46/43/29/945464329.db2.gz VRGYNQDXLPXDSU-WOIUINJBSA-N 1 3 369.553 3.760 20 0 FHADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000519480381 945464577 /nfs/dbraw/zinc/46/45/77/945464577.db2.gz VRGYNQDXLPXDSU-JQVVWYNYSA-N 1 3 369.553 3.760 20 0 FHADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000519480381 945464580 /nfs/dbraw/zinc/46/45/80/945464580.db2.gz VRGYNQDXLPXDSU-JQVVWYNYSA-N 1 3 369.553 3.760 20 0 FHADHO CCN1CCN([C@H](C)C[NH2+][C@H](C)c2ccc(OC(C)C)c(Cl)c2)CC1 ZINC000519836148 945798032 /nfs/dbraw/zinc/79/80/32/945798032.db2.gz BYBXPMCYHCWSEH-IAGOWNOFSA-N 1 3 367.965 3.804 20 0 FHADHO Cc1ccc(CN(C)C)cc1NC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662745461 945857226 /nfs/dbraw/zinc/85/72/26/945857226.db2.gz DYYZOPWRNKJHKJ-LJQANCHMSA-N 1 3 351.494 3.688 20 0 FHADHO FC(F)(F)c1ccc(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)nc1 ZINC001167974210 945976910 /nfs/dbraw/zinc/97/69/10/945976910.db2.gz QYHYLMJSJAQULD-AYHJJNSGSA-N 1 3 353.432 3.638 20 0 FHADHO FC(F)(F)c1ccc(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)nc1 ZINC001167974210 945976920 /nfs/dbraw/zinc/97/69/20/945976920.db2.gz QYHYLMJSJAQULD-AYHJJNSGSA-N 1 3 353.432 3.638 20 0 FHADHO CCOc1cc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)ccc1OC(F)F ZINC000514105367 946203585 /nfs/dbraw/zinc/20/35/85/946203585.db2.gz QWACQLUYMCQFBG-BZUAXINKSA-N 1 3 354.441 3.649 20 0 FHADHO CCOc1cc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)ccc1OC(F)F ZINC000514105367 946203595 /nfs/dbraw/zinc/20/35/95/946203595.db2.gz QWACQLUYMCQFBG-BZUAXINKSA-N 1 3 354.441 3.649 20 0 FHADHO CCOc1cc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)ccc1OC(F)F ZINC000514105367 946203605 /nfs/dbraw/zinc/20/36/05/946203605.db2.gz QWACQLUYMCQFBG-BZUAXINKSA-N 1 3 354.441 3.649 20 0 FHADHO Cc1ccc2[nH]c(CN3CCC(C)(C[NH+]4CCN(C)CC4)CC3)cc2c1C ZINC000473118517 946296688 /nfs/dbraw/zinc/29/66/88/946296688.db2.gz FLVILJKAVLRZCU-UHFFFAOYSA-N 1 3 368.569 3.634 20 0 FHADHO CN(C)[C@@H](CNC(=O)C[NH2+][C@H](c1ccccc1)C1CCC1)c1ccccc1 ZINC000475128981 946434520 /nfs/dbraw/zinc/43/45/20/946434520.db2.gz ICYGABYOTLUUKJ-JTHBVZDNSA-N 1 3 365.521 3.537 20 0 FHADHO Cc1ccc(-c2cccc(C[NH2+]CCN3CCN(C)C(C)(C)C3)c2)cc1 ZINC000441337853 946446259 /nfs/dbraw/zinc/44/62/59/946446259.db2.gz CCCYESAEQGABRX-UHFFFAOYSA-N 1 3 351.538 3.778 20 0 FHADHO Fc1ccc(-c2cc(C[N@@H+]3CC[C@@H]4[C@@H](CCCN4C4CC4)C3)on2)cc1 ZINC000441394362 946549095 /nfs/dbraw/zinc/54/90/95/946549095.db2.gz OPCCBLMJGDHMQE-HRAATJIYSA-N 1 3 355.457 3.929 20 0 FHADHO Fc1ccc(-c2cc(C[N@H+]3CC[C@@H]4[C@@H](CCCN4C4CC4)C3)on2)cc1 ZINC000441394362 946549098 /nfs/dbraw/zinc/54/90/98/946549098.db2.gz OPCCBLMJGDHMQE-HRAATJIYSA-N 1 3 355.457 3.929 20 0 FHADHO C[C@H]1CC(N2CCc3ccc(=O)[nH]c3CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168058140 946592934 /nfs/dbraw/zinc/59/29/34/946592934.db2.gz BDDFJRJLZMBBMU-ROUUACIJSA-N 1 3 365.521 3.629 20 0 FHADHO C[C@H](c1ccc(Br)cc1)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348391 946892633 /nfs/dbraw/zinc/89/26/33/946892633.db2.gz BVINLWAXGZSNSM-HUHSQHJXSA-N 1 3 367.331 3.728 20 0 FHADHO CC[NH2+]Cc1ccccc1NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000124572587 947120286 /nfs/dbraw/zinc/12/02/86/947120286.db2.gz SDIUQDRBYDTRPA-IBGZPJMESA-N 1 3 369.484 3.786 20 0 FHADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cccc4ccsc43)CC2)CC1 ZINC000444873651 947299276 /nfs/dbraw/zinc/29/92/76/947299276.db2.gz KDZKKENKGPKARN-UHFFFAOYSA-N 1 3 372.538 3.581 20 0 FHADHO Cc1ccccc1-c1noc([C@H](C)N2CCC[C@H](C3CC[NH2+]CC3)C2)n1 ZINC000662295225 947716489 /nfs/dbraw/zinc/71/64/89/947716489.db2.gz GCMOZBQEYRORSF-WMZOPIPTSA-N 1 3 354.498 3.818 20 0 FHADHO C[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000579376300 947758262 /nfs/dbraw/zinc/75/82/62/947758262.db2.gz LZJBELWHDJFKRB-CVAIRZPRSA-N 1 3 369.484 3.927 20 0 FHADHO Clc1ccccc1CN1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662329121 947760076 /nfs/dbraw/zinc/76/00/76/947760076.db2.gz YYNHFXAAYVAAGR-UHFFFAOYSA-N 1 3 358.917 3.910 20 0 FHADHO Clc1ccccc1CN1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662329121 947760087 /nfs/dbraw/zinc/76/00/87/947760087.db2.gz YYNHFXAAYVAAGR-UHFFFAOYSA-N 1 3 358.917 3.910 20 0 FHADHO O=C(Nc1ccc(SCC[NH+]2CCCC2)cc1)c1cccc2c1CNC2 ZINC000662585772 947914415 /nfs/dbraw/zinc/91/44/15/947914415.db2.gz XQVHGFBOSBWMIP-UHFFFAOYSA-N 1 3 367.518 3.730 20 0 FHADHO CCc1ccccc1NC(=O)C[C@@H](C)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663467513 948054033 /nfs/dbraw/zinc/05/40/33/948054033.db2.gz GLIYCMXSZHUIEX-MJGOQNOKSA-N 1 3 357.542 3.678 20 0 FHADHO CCc1ccccc1NC(=O)C[C@@H](C)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467513 948054044 /nfs/dbraw/zinc/05/40/44/948054044.db2.gz GLIYCMXSZHUIEX-MJGOQNOKSA-N 1 3 357.542 3.678 20 0 FHADHO CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663467513 948054054 /nfs/dbraw/zinc/05/40/54/948054054.db2.gz GLIYCMXSZHUIEX-MJGOQNOKSA-N 1 3 357.542 3.678 20 0 FHADHO Cc1cccc(NC(=O)C[C@@H](C)NC[C@H]2CCC[N@H+](CC3CC3)C2)c1C ZINC000663472237 948068623 /nfs/dbraw/zinc/06/86/23/948068623.db2.gz ZXUSFJDOLUVBMJ-YLJYHZDGSA-N 1 3 357.542 3.732 20 0 FHADHO Cc1cccc(NC(=O)C[C@@H](C)NC[C@H]2CCC[N@@H+](CC3CC3)C2)c1C ZINC000663472237 948068629 /nfs/dbraw/zinc/06/86/29/948068629.db2.gz ZXUSFJDOLUVBMJ-YLJYHZDGSA-N 1 3 357.542 3.732 20 0 FHADHO Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCCN(CC3CC3)C2)c1C ZINC000663472237 948068639 /nfs/dbraw/zinc/06/86/39/948068639.db2.gz ZXUSFJDOLUVBMJ-YLJYHZDGSA-N 1 3 357.542 3.732 20 0 FHADHO Cc1cccc(NC(=O)C[C@@H](C)NC[C@@H]2CCC[N@H+](CC3CC3)C2)c1C ZINC000663472236 948068963 /nfs/dbraw/zinc/06/89/63/948068963.db2.gz ZXUSFJDOLUVBMJ-XLIONFOSSA-N 1 3 357.542 3.732 20 0 FHADHO Cc1cccc(NC(=O)C[C@@H](C)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)c1C ZINC000663472236 948068971 /nfs/dbraw/zinc/06/89/71/948068971.db2.gz ZXUSFJDOLUVBMJ-XLIONFOSSA-N 1 3 357.542 3.732 20 0 FHADHO Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCCN(CC3CC3)C2)c1C ZINC000663472236 948068980 /nfs/dbraw/zinc/06/89/80/948068980.db2.gz ZXUSFJDOLUVBMJ-XLIONFOSSA-N 1 3 357.542 3.732 20 0 FHADHO CC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1[C@@H](C)CCC[NH+](CC)CC ZINC001167824725 948112531 /nfs/dbraw/zinc/11/25/31/948112531.db2.gz FYNACJUCYUTTLM-ZWKOTPCHSA-N 1 3 355.567 3.828 20 0 FHADHO CC(C)(C)OC(=O)CC1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001168004163 948353304 /nfs/dbraw/zinc/35/33/04/948353304.db2.gz RLKZBNUEFIKVCB-YOFSQIOKSA-N 1 3 362.558 3.836 20 0 FHADHO CC(C)(C)OC(=O)CC1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001168004163 948353312 /nfs/dbraw/zinc/35/33/12/948353312.db2.gz RLKZBNUEFIKVCB-YOFSQIOKSA-N 1 3 362.558 3.836 20 0 FHADHO CC[NH+](CC)CCC[C@@H](C)N1CCN(Cc2c(F)cccc2F)CC1 ZINC001167841941 948370125 /nfs/dbraw/zinc/37/01/25/948370125.db2.gz VDEXIXOJIPCXNG-QGZVFWFLSA-N 1 3 353.501 3.593 20 0 FHADHO C[C@H]1C[N@H+](CCCN[C@H]2CCc3cc(Br)ccc32)CCCO1 ZINC000432422054 948384253 /nfs/dbraw/zinc/38/42/53/948384253.db2.gz CFXFAZBMILDJQA-KSSFIOAISA-N 1 3 367.331 3.527 20 0 FHADHO C[C@H]1C[N@@H+](CCCN[C@H]2CCc3cc(Br)ccc32)CCCO1 ZINC000432422054 948384258 /nfs/dbraw/zinc/38/42/58/948384258.db2.gz CFXFAZBMILDJQA-KSSFIOAISA-N 1 3 367.331 3.527 20 0 FHADHO Cc1c([C@@H](C)[NH2+]C[C@@H]2CCN(C3CC3)C2)cnn1-c1cccc(Cl)c1 ZINC000152372329 948425009 /nfs/dbraw/zinc/42/50/09/948425009.db2.gz MTSXIWLSHLGSGN-ZBFHGGJFSA-N 1 3 358.917 3.969 20 0 FHADHO C[C@H]1CN(CCCC[NH2+]Cc2cnc(-c3ccccc3)s2)C[C@H](C)O1 ZINC000066990646 948576543 /nfs/dbraw/zinc/57/65/43/948576543.db2.gz ROAFOSKRWZWXKD-IRXDYDNUSA-N 1 3 359.539 3.789 20 0 FHADHO CCCC[N@H+](C)CC1CCN([C@H](C)C(=O)N(CC)Cc2ccccc2)CC1 ZINC000521430131 568030507 /nfs/dbraw/zinc/03/05/07/568030507.db2.gz PTSLCAOPWGAITI-HXUWFJFHSA-N 1 3 373.585 3.868 20 0 FHADHO CCCC[N@@H+](C)CC1CCN([C@H](C)C(=O)N(CC)Cc2ccccc2)CC1 ZINC000521430131 568030508 /nfs/dbraw/zinc/03/05/08/568030508.db2.gz PTSLCAOPWGAITI-HXUWFJFHSA-N 1 3 373.585 3.868 20 0 FHADHO CCCC[N@H+](C)CC1CCN([C@H](C)C(=O)N(C)C2CCCCC2)CC1 ZINC000521430156 568030511 /nfs/dbraw/zinc/03/05/11/568030511.db2.gz RJWCMJNRDFUFPN-GOSISDBHSA-N 1 3 351.579 3.610 20 0 FHADHO CCCC[N@@H+](C)CC1CCN([C@H](C)C(=O)N(C)C2CCCCC2)CC1 ZINC000521430156 568030512 /nfs/dbraw/zinc/03/05/12/568030512.db2.gz RJWCMJNRDFUFPN-GOSISDBHSA-N 1 3 351.579 3.610 20 0 FHADHO CN1[C@@H]2CC[C@H]1CC([NH2+]C[C@@H]1CCCN(C)[C@H]1c1cccc(Cl)c1)C2 ZINC000365226333 568338956 /nfs/dbraw/zinc/33/89/56/568338956.db2.gz ZWGPUQVFNDFHRA-XCDJFROHSA-N 1 3 361.961 3.938 20 0 FHADHO COc1cc(CN(C)Cc2ccc(OCC[NH+]3CCCC3)cc2)ccc1O ZINC000126001180 936318294 /nfs/dbraw/zinc/31/82/94/936318294.db2.gz XOFZMFWQFKLREO-UHFFFAOYSA-N 1 3 370.493 3.507 20 0 FHADHO CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@@H](c3nccs3)C2)CC1 ZINC000092788849 936335315 /nfs/dbraw/zinc/33/53/15/936335315.db2.gz YPKNSYFSWDQPSY-LJQANCHMSA-N 1 3 370.566 3.665 20 0 FHADHO CCN1CCN(c2ccccc2C[N@H+]2CCC[C@@H](c3nccs3)C2)CC1 ZINC000092788849 936335317 /nfs/dbraw/zinc/33/53/17/936335317.db2.gz YPKNSYFSWDQPSY-LJQANCHMSA-N 1 3 370.566 3.665 20 0 FHADHO Cc1cc2cc(NC3(C(=O)OC(C)(C)C)CCC([NH3+])CC3)ccc2cn1 ZINC001167644433 936344192 /nfs/dbraw/zinc/34/41/92/936344192.db2.gz RPAUGRFMNDMMGU-UHFFFAOYSA-N 1 3 355.482 3.937 20 0 FHADHO C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000583005201 936365678 /nfs/dbraw/zinc/36/56/78/936365678.db2.gz ORZZVLPOKNWWMJ-FCLXEUQJSA-N 1 3 369.431 3.637 20 0 FHADHO C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000583005201 936365682 /nfs/dbraw/zinc/36/56/82/936365682.db2.gz ORZZVLPOKNWWMJ-FCLXEUQJSA-N 1 3 369.431 3.637 20 0 FHADHO COc1cc([C@@H](C)NCc2cccc(C[NH+](C)C)c2)cc(OC)c1OC ZINC000123639027 937166923 /nfs/dbraw/zinc/16/69/23/937166923.db2.gz FYYJXACOGHHDPK-OAHLLOKOSA-N 1 3 358.482 3.625 20 0 FHADHO FC1(F)CC12CCN(Cc1ccc(OCC[NH+]3CCCC3)cc1)CC2 ZINC000651953454 927636901 /nfs/dbraw/zinc/63/69/01/927636901.db2.gz IGGXRFCTZZRXDW-UHFFFAOYSA-N 1 3 350.453 3.782 20 0 FHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(C4CC4)cc3)CC2)CC1 ZINC000654980731 927734834 /nfs/dbraw/zinc/73/48/34/927734834.db2.gz RFKWODBPDPTAQX-UHFFFAOYSA-N 1 3 355.526 3.699 20 0 FHADHO N[C@H](CC1CCCCC1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000583184190 937218130 /nfs/dbraw/zinc/21/81/30/937218130.db2.gz IEKXSCWHVQHQAE-OAQYLSRUSA-N 1 3 357.542 3.586 20 0 FHADHO CCN1CCN(CCC[NH2+][C@H](C)c2sc(-c3ccccc3)nc2C)CC1 ZINC000154304038 928710675 /nfs/dbraw/zinc/71/06/75/928710675.db2.gz JPJTUJGOUREFLJ-QGZVFWFLSA-N 1 3 372.582 3.797 20 0 FHADHO C[C@@H]1C[C@@H](N(C)Cc2ccc(Br)c3cccnc23)CC[N@@H+]1C ZINC000180196379 929417408 /nfs/dbraw/zinc/41/74/08/929417408.db2.gz VQXKUHNHDTZOQQ-HIFRSBDPSA-N 1 3 362.315 3.912 20 0 FHADHO C[C@@H]1C[C@@H](N(C)Cc2ccc(Br)c3cccnc23)CC[N@H+]1C ZINC000180196379 929417566 /nfs/dbraw/zinc/41/75/66/929417566.db2.gz VQXKUHNHDTZOQQ-HIFRSBDPSA-N 1 3 362.315 3.912 20 0 FHADHO CCN1CCN(C[C@@H](C)C[NH2+][C@@H](c2ccccc2)c2ccc(C)cc2)CC1 ZINC000180440819 929511951 /nfs/dbraw/zinc/51/19/51/929511951.db2.gz VLXYEMYVKVIYPM-URXFXBBRSA-N 1 3 365.565 3.948 20 0 FHADHO C[C@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc([S@@](C)=O)cc1 ZINC000162924378 937376130 /nfs/dbraw/zinc/37/61/30/937376130.db2.gz HJRFRNJPFWMBPK-GKVSMKOHSA-N 1 3 356.535 3.871 20 0 FHADHO C[NH+](C)CCOCCNCc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000471542901 930273384 /nfs/dbraw/zinc/27/33/84/930273384.db2.gz VTDWUCZOUSOQEX-UHFFFAOYSA-N 1 3 356.388 3.633 20 0 FHADHO CN(C)Cc1cccc(NC(=O)N2CCC([NH2+]Cc3ccccc3)CC2)c1 ZINC000580696626 931024161 /nfs/dbraw/zinc/02/41/61/931024161.db2.gz NYSWLFJPBCVEHE-UHFFFAOYSA-N 1 3 366.509 3.534 20 0 FHADHO Clc1cccc(-c2noc(CCN[C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)n2)c1 ZINC000580827827 931235437 /nfs/dbraw/zinc/23/54/37/931235437.db2.gz RNQKTBXTQLLWFL-KZNAEPCWSA-N 1 3 374.916 3.833 20 0 FHADHO Clc1cccc(-c2noc(CCN[C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)n2)c1 ZINC000580827829 931235663 /nfs/dbraw/zinc/23/56/63/931235663.db2.gz RNQKTBXTQLLWFL-RCCFBDPRSA-N 1 3 374.916 3.833 20 0 FHADHO COCCNc1ccc(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000548155307 931709551 /nfs/dbraw/zinc/70/95/51/931709551.db2.gz RRYNRDDFCYMGHF-UGKGYDQZSA-N 1 3 367.537 3.745 20 0 FHADHO COCCNc1ccc(CN[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000548155307 931709552 /nfs/dbraw/zinc/70/95/52/931709552.db2.gz RRYNRDDFCYMGHF-UGKGYDQZSA-N 1 3 367.537 3.745 20 0 FHADHO COCCNc1ccc(CN[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000548155307 931709554 /nfs/dbraw/zinc/70/95/54/931709554.db2.gz RRYNRDDFCYMGHF-UGKGYDQZSA-N 1 3 367.537 3.745 20 0 FHADHO C[C@@H]([NH3+])[C@@H]1CCCN(CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000430569250 931905940 /nfs/dbraw/zinc/90/59/40/931905940.db2.gz HFTASEGPTCIBKM-QZTJIDSGSA-N 1 3 367.493 3.867 20 0 FHADHO COc1ccc(CN2CCC[C@H](C3CC[NH2+]CC3)C2)c(OC(F)F)c1 ZINC000656785520 932420804 /nfs/dbraw/zinc/42/08/04/932420804.db2.gz LJQMRJFSOIVXOY-HNNXBMFYSA-N 1 3 354.441 3.508 20 0 FHADHO CC(C)N1CC[C@@H](C[NH2+][C@@H](C)Cc2ccc(F)cc2Br)C1 ZINC000581689566 932507222 /nfs/dbraw/zinc/50/72/22/932507222.db2.gz XMKORRXDFPTDBN-KBPBESRZSA-N 1 3 357.311 3.839 20 0 FHADHO CC(C)[C@H](C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1)N(C)C ZINC000471806569 932985406 /nfs/dbraw/zinc/98/54/06/932985406.db2.gz ZKNPXZHHZRLGNV-OAQYLSRUSA-N 1 3 359.558 3.654 20 0 FHADHO CC(C)[C@H](C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1)N(C)C ZINC000471806569 932985410 /nfs/dbraw/zinc/98/54/10/932985410.db2.gz ZKNPXZHHZRLGNV-OAQYLSRUSA-N 1 3 359.558 3.654 20 0 FHADHO C[C@@H]1CC[C@H](NCCC[N@@H+]2CCCC[C@H]2C)CN1C(=O)OC(C)(C)C ZINC000399117611 933010852 /nfs/dbraw/zinc/01/08/52/933010852.db2.gz GLIOOYSTDOJXMS-KURKYZTESA-N 1 3 353.551 3.629 20 0 FHADHO C[C@@H]1CC[C@H](NCCC[N@H+]2CCCC[C@H]2C)CN1C(=O)OC(C)(C)C ZINC000399117611 933010858 /nfs/dbraw/zinc/01/08/58/933010858.db2.gz GLIOOYSTDOJXMS-KURKYZTESA-N 1 3 353.551 3.629 20 0 FHADHO C[C@@H]1CCCCN1CCC[NH2+][C@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000399117611 933010863 /nfs/dbraw/zinc/01/08/63/933010863.db2.gz GLIOOYSTDOJXMS-KURKYZTESA-N 1 3 353.551 3.629 20 0 FHADHO NC[C@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1CCCOCC(F)(F)F ZINC000471829934 933072532 /nfs/dbraw/zinc/07/25/32/933072532.db2.gz GVBXGGMBGORFHQ-ZWKOTPCHSA-N 1 3 358.448 3.628 20 0 FHADHO NC[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CCCOCC(F)(F)F ZINC000471829934 933072537 /nfs/dbraw/zinc/07/25/37/933072537.db2.gz GVBXGGMBGORFHQ-ZWKOTPCHSA-N 1 3 358.448 3.628 20 0 FHADHO CC(=O)Nc1cccc(CN2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)c1 ZINC000471854958 933155222 /nfs/dbraw/zinc/15/52/22/933155222.db2.gz CPJUATWKYYOETQ-GGAORHGYSA-N 1 3 365.521 3.817 20 0 FHADHO COc1cccc([C@H](C)[NH+]2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000430711499 933165722 /nfs/dbraw/zinc/16/57/22/933165722.db2.gz WYQOFQYHQIOUBM-QRVBRYPASA-N 1 3 360.542 3.968 20 0 FHADHO Cn1nccc1[C@@H]1CCCN(CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000510646639 933344921 /nfs/dbraw/zinc/34/49/21/933344921.db2.gz RDHCEZRXKIGMQY-HXUWFJFHSA-N 1 3 354.542 3.758 20 0 FHADHO Cn1nccc1[C@@H]1CCCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000510646639 933344930 /nfs/dbraw/zinc/34/49/30/933344930.db2.gz RDHCEZRXKIGMQY-HXUWFJFHSA-N 1 3 354.542 3.758 20 0 FHADHO C[C@H]([NH3+])C1CCN(CC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)CC1 ZINC000430927136 933424740 /nfs/dbraw/zinc/42/47/40/933424740.db2.gz PQVACYAFOMTBIN-UWJYYQICSA-N 1 3 371.569 3.707 20 0 FHADHO Cc1cccc([C@H](NCCN2CCC([NH+](C)C)CC2)c2cccc(F)c2)c1 ZINC000510756995 933647267 /nfs/dbraw/zinc/64/72/67/933647267.db2.gz XQXNHYSFQQBCEO-QHCPKHFHSA-N 1 3 369.528 3.839 20 0 FHADHO Cc1ccc([C@H](CNC(=O)NC(C)(C)CCC[NH+](C)C)N2CCCC2)cc1 ZINC000458157467 934337585 /nfs/dbraw/zinc/33/75/85/934337585.db2.gz VBPRXGTYDKTEID-FQEVSTJZSA-N 1 3 374.573 3.552 20 0 FHADHO CC[C@@H]([NH2+]C[C@@H]1CCN(CC)C1)c1ccc(I)cc1 ZINC000610799771 934426148 /nfs/dbraw/zinc/42/61/48/934426148.db2.gz QCTKCWSUHCNFKE-XJKSGUPXSA-N 1 3 372.294 3.674 20 0 FHADHO CC[C@@H](NC[C@@H]1CC[N@H+](CC)C1)c1ccc(I)cc1 ZINC000610799771 934426151 /nfs/dbraw/zinc/42/61/51/934426151.db2.gz QCTKCWSUHCNFKE-XJKSGUPXSA-N 1 3 372.294 3.674 20 0 FHADHO CC[C@@H](NC[C@@H]1CC[N@@H+](CC)C1)c1ccc(I)cc1 ZINC000610799771 934426155 /nfs/dbraw/zinc/42/61/55/934426155.db2.gz QCTKCWSUHCNFKE-XJKSGUPXSA-N 1 3 372.294 3.674 20 0 FHADHO CCN(CCC[NH+](CC)CC)C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000472109957 935053351 /nfs/dbraw/zinc/05/33/51/935053351.db2.gz FXADVXDDOAXTDH-FPOVZHCZSA-N 1 3 374.573 3.585 20 0 FHADHO O[C@H](CC1CCCC1)CN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC001167554329 935389684 /nfs/dbraw/zinc/38/96/84/935389684.db2.gz NVBZDUAEWFQHSM-DHIUTWEWSA-N 1 3 356.554 3.916 20 0 FHADHO O[C@H](CC1CCCC1)CN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001167554329 935389688 /nfs/dbraw/zinc/38/96/88/935389688.db2.gz NVBZDUAEWFQHSM-DHIUTWEWSA-N 1 3 356.554 3.916 20 0 FHADHO O[C@H]1CCC[C@H]1N1CCC([NH2+]Cc2ccc(-c3cccs3)cc2)CC1 ZINC000657399446 935562342 /nfs/dbraw/zinc/56/23/42/935562342.db2.gz JBBFYAPMDBXRTA-UXHICEINSA-N 1 3 356.535 3.883 20 0 FHADHO C[C@H]1C[C@@H]([NH2+]Cc2cccnc2N2CCN(C)CC2)c2ccsc2S1 ZINC000158466816 935584847 /nfs/dbraw/zinc/58/48/47/935584847.db2.gz USRLLLWJTUDELK-WMLDXEAASA-N 1 3 374.579 3.610 20 0 FHADHO CCC1(CNCc2cc3n(n2)CCC3)CC[NH+](Cc2ccccc2)CC1 ZINC000657415256 935628547 /nfs/dbraw/zinc/62/85/47/935628547.db2.gz CESOHHOCNOZDTR-UHFFFAOYSA-N 1 3 352.526 3.611 20 0 FHADHO FC(F)Oc1cccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)c1 ZINC000657611634 936092950 /nfs/dbraw/zinc/09/29/50/936092950.db2.gz AILJFTFIBCDWHS-UHFFFAOYSA-N 1 3 361.436 3.685 20 0 FHADHO c1coc(-c2ncc(C[NH2+]CC3CCN(Cc4ccncc4)CC3)s2)c1 ZINC000657612685 936098676 /nfs/dbraw/zinc/09/86/76/936098676.db2.gz CIPLATVBIWUWOZ-UHFFFAOYSA-N 1 3 368.506 3.800 20 0 FHADHO CCC[NH+]1CCN(c2ccccc2CN2CC(C)(C)[C@@H]2[C@@H]2CCCO2)CC1 ZINC000583472445 938269259 /nfs/dbraw/zinc/26/92/59/938269259.db2.gz IRXZFFLOSQLRSE-VXKWHMMOSA-N 1 3 371.569 3.608 20 0 FHADHO Cc1ccc(NC(=O)C[C@@H](C)NCc2ccc(C[NH3+])cc2F)c(Cl)c1 ZINC000650717894 938304835 /nfs/dbraw/zinc/30/48/35/938304835.db2.gz QCWQDCMYHJFTNO-CYBMUJFWSA-N 1 3 363.864 3.753 20 0 FHADHO Cc1ccc(-c2ncc(CN3CCCC[C@@H]3[C@@H]3C[C@H]([NH3+])CCO3)s2)cc1 ZINC000650723508 938310768 /nfs/dbraw/zinc/31/07/68/938310768.db2.gz PKYMAFWAPGPWPN-RLLQIKCJSA-N 1 3 371.550 3.979 20 0 FHADHO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CN1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000583693148 938360673 /nfs/dbraw/zinc/36/06/73/938360673.db2.gz AAXXFTHTMYUHIT-WMQCIHAUSA-N 1 3 372.944 3.761 20 0 FHADHO COc1cc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)ccc1OCC(F)(F)F ZINC000583828235 938433911 /nfs/dbraw/zinc/43/39/11/938433911.db2.gz RPRIJSPHAPURAL-ARFHVFGLSA-N 1 3 372.431 3.599 20 0 FHADHO COc1cc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)ccc1OCC(F)(F)F ZINC000583828235 938433912 /nfs/dbraw/zinc/43/39/12/938433912.db2.gz RPRIJSPHAPURAL-ARFHVFGLSA-N 1 3 372.431 3.599 20 0 FHADHO COc1cc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)ccc1OCC(F)(F)F ZINC000583828235 938433914 /nfs/dbraw/zinc/43/39/14/938433914.db2.gz RPRIJSPHAPURAL-ARFHVFGLSA-N 1 3 372.431 3.599 20 0 FHADHO C[C@@H](c1ccccc1)[C@@H](O)C[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000516714358 945177810 /nfs/dbraw/zinc/17/78/10/945177810.db2.gz LEDVSNXYRZMCOT-LBVMUVSTSA-N 1 3 352.522 3.651 20 0 FHADHO CC(C)[N@H+](C)C[C@H](O)CN[C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000660538278 945179608 /nfs/dbraw/zinc/17/96/08/945179608.db2.gz NSGKJOWLLBLZDS-SQNIBIBYSA-N 1 3 358.448 3.632 20 0 FHADHO CC(C)[N@@H+](C)C[C@H](O)CN[C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000660538278 945179613 /nfs/dbraw/zinc/17/96/13/945179613.db2.gz NSGKJOWLLBLZDS-SQNIBIBYSA-N 1 3 358.448 3.632 20 0 FHADHO Cc1cccc(NC[C@H]2CC[N@@H+](Cc3nc4c(s3)C[C@H](C)CC4)C2)n1 ZINC000092813234 938524116 /nfs/dbraw/zinc/52/41/16/938524116.db2.gz LMRMESZQMXTZBY-GDBMZVCRSA-N 1 3 356.539 3.905 20 0 FHADHO Cc1cccc(NC[C@H]2CC[N@H+](Cc3nc4c(s3)C[C@H](C)CC4)C2)n1 ZINC000092813234 938524120 /nfs/dbraw/zinc/52/41/20/938524120.db2.gz LMRMESZQMXTZBY-GDBMZVCRSA-N 1 3 356.539 3.905 20 0 FHADHO C[C@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000133039519 938556121 /nfs/dbraw/zinc/55/61/21/938556121.db2.gz KPWPEIMXWYNVCD-GJZGRUSLSA-N 1 3 356.432 3.857 20 0 FHADHO Cc1ccc(OC[C@H](O)CNC2CC[NH+]([C@H](C)c3ccccc3)CC2)cc1 ZINC000584346556 938694225 /nfs/dbraw/zinc/69/42/25/938694225.db2.gz PYPKIZGSIATXOM-DENIHFKCSA-N 1 3 368.521 3.550 20 0 FHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCCC34CCCCC4)CC2)CC1 ZINC000584359949 938703785 /nfs/dbraw/zinc/70/37/85/938703785.db2.gz SFNHEBVDMWSFID-UHFFFAOYSA-N 1 3 361.574 3.508 20 0 FHADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+]C[C@H]1CCOc2ccccc21 ZINC000708530087 938802563 /nfs/dbraw/zinc/80/25/63/938802563.db2.gz WLWOEVXNYJJASM-NRSPTQNISA-N 1 3 350.506 3.910 20 0 FHADHO C[C@H]([NH2+]C[C@@H]1C[C@H](C)N(Cc2ccccc2)C1)c1ccc([S@](C)=O)cc1 ZINC000090708789 938882041 /nfs/dbraw/zinc/88/20/41/938882041.db2.gz WXCIMJSATJOPJU-QZUYBOIVSA-N 1 3 370.562 3.985 20 0 FHADHO C[NH+](C)[C@H](CC(=O)NC[C@H](c1cccs1)N1CCCC1)c1ccccc1 ZINC000431562301 938970485 /nfs/dbraw/zinc/97/04/85/938970485.db2.gz BROGSSXYHFWCSL-RTBURBONSA-N 1 3 371.550 3.694 20 0 FHADHO COc1ccc([C@H](C)[NH2+]C[C@H]2CCCN(Cc3ccccc3)C2)cc1O ZINC000685646317 939008119 /nfs/dbraw/zinc/00/81/19/939008119.db2.gz MTXCOXNCUOPFOI-PKOBYXMFSA-N 1 3 354.494 3.964 20 0 FHADHO Clc1ccc2c(c1)C[C@H]([NH2+]CC1CCN(Cc3ccncc3)CC1)C2 ZINC000658168001 939054533 /nfs/dbraw/zinc/05/45/33/939054533.db2.gz UYNHEUOIJDTNJJ-OAQYLSRUSA-N 1 3 355.913 3.704 20 0 FHADHO COC[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1cccc(Cl)c1 ZINC000658166355 939054549 /nfs/dbraw/zinc/05/45/49/939054549.db2.gz NZNFLWMLZILOEL-NRFANRHFSA-N 1 3 373.928 3.924 20 0 FHADHO C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1cnn(C2CCCC2)c1 ZINC000658167528 939054843 /nfs/dbraw/zinc/05/48/43/939054843.db2.gz SNQFJPOJSQZCEW-SFHVURJKSA-N 1 3 367.541 3.956 20 0 FHADHO Cc1nc2c(s1)[C@H]([NH2+]CC1CCN(Cc3ccncc3)CC1)CCC2 ZINC000658167208 939054864 /nfs/dbraw/zinc/05/48/64/939054864.db2.gz QRLYFZCMNGHQHN-GOSISDBHSA-N 1 3 356.539 3.726 20 0 FHADHO COc1ccccc1C[C@@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658167221 939055126 /nfs/dbraw/zinc/05/51/26/939055126.db2.gz QTNHNIFLZBOQAZ-GOSISDBHSA-N 1 3 353.510 3.523 20 0 FHADHO C[C@H](NCC1CC[NH+](CC2CC2)CC1)c1ncc(-c2ccccc2)n1C ZINC000658352367 939123711 /nfs/dbraw/zinc/12/37/11/939123711.db2.gz FQHNTIDUIGFEHK-KRWDZBQOSA-N 1 3 352.526 3.860 20 0 FHADHO C[C@H](O)[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1ccccc1 ZINC000658364224 939126256 /nfs/dbraw/zinc/12/62/56/939126256.db2.gz YLNSXSJZTXCOHL-CZIXKKEKSA-N 1 3 350.506 3.894 20 0 FHADHO FC(F)(F)CSCC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000507472099 945257928 /nfs/dbraw/zinc/25/79/28/945257928.db2.gz QHTAFLSTIOHJJF-YESZJQIVSA-N 1 3 358.473 3.782 20 0 FHADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(Cc2ccccc2Oc2cccnc2)CC1 ZINC000584472853 939997859 /nfs/dbraw/zinc/99/78/59/939997859.db2.gz HZSGCJRZLNFLPR-UNMCSNQZSA-N 1 3 367.493 3.592 20 0 FHADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+][C@H]2CCCC[C@@H]2C2CC2)cc1 ZINC000507508674 945289812 /nfs/dbraw/zinc/28/98/12/945289812.db2.gz KAAUVLCYSPJWHO-YADHBBJMSA-N 1 3 369.553 3.571 20 0 FHADHO CC(C)(C)OC(=O)N1CCC([NH2+]C2CCN(CC3CCCC3)CC2)CC1 ZINC000177269289 940066249 /nfs/dbraw/zinc/06/62/49/940066249.db2.gz SJPARJHYXXQDHM-UHFFFAOYSA-N 1 3 365.562 3.630 20 0 FHADHO CN(C)C[C@H](N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)c1ccccc1 ZINC000507526215 945302717 /nfs/dbraw/zinc/30/27/17/945302717.db2.gz LKWNBYIRLRAFQE-YCAMKHIRSA-N 1 3 363.549 3.790 20 0 FHADHO CN(C)C[C@H](N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)c1ccccc1 ZINC000507526215 945302726 /nfs/dbraw/zinc/30/27/26/945302726.db2.gz LKWNBYIRLRAFQE-YCAMKHIRSA-N 1 3 363.549 3.790 20 0 FHADHO COc1ccc([C@@H](C)[NH2+]C2CCN(CC(C)C)CC2)cc1Cn1cccn1 ZINC000177836757 940459705 /nfs/dbraw/zinc/45/97/05/940459705.db2.gz VEJFDAZVJYHDHX-GOSISDBHSA-N 1 3 370.541 3.711 20 0 FHADHO COc1cccc(CN(C)C/C=C\C[N@H+](C)Cc2cccc(OC)c2)c1 ZINC000613355126 940620463 /nfs/dbraw/zinc/62/04/63/940620463.db2.gz QMSNNSRMXJVQCQ-WAYWQWQTSA-N 1 3 354.494 3.824 20 0 FHADHO COc1cccc(CN(C)C/C=C\C[N@@H+](C)Cc2cccc(OC)c2)c1 ZINC000613355126 940620466 /nfs/dbraw/zinc/62/04/66/940620466.db2.gz QMSNNSRMXJVQCQ-WAYWQWQTSA-N 1 3 354.494 3.824 20 0 FHADHO COCCCN1CCC([NH2+][C@H](C)c2ccc(F)cc2OC(F)F)CC1 ZINC000159215575 940714391 /nfs/dbraw/zinc/71/43/91/940714391.db2.gz YLBZQHWLUIAQCH-CYBMUJFWSA-N 1 3 360.420 3.579 20 0 FHADHO C[C@H](NC[C@@H](O)c1ccccc1Cl)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310783586 940811828 /nfs/dbraw/zinc/81/18/28/940811828.db2.gz CDXBHYRFXVMSMI-DJPFJPOOSA-N 1 3 358.913 3.874 20 0 FHADHO C[C@H](NC[C@@H](O)c1ccccc1Cl)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310783586 940811830 /nfs/dbraw/zinc/81/18/30/940811830.db2.gz CDXBHYRFXVMSMI-DJPFJPOOSA-N 1 3 358.913 3.874 20 0 FHADHO C[C@H]([NH2+]C[C@@H](O)c1ccccc1Cl)[C@H]1CCN(Cc2ccccc2)C1 ZINC000310783586 940811833 /nfs/dbraw/zinc/81/18/33/940811833.db2.gz CDXBHYRFXVMSMI-DJPFJPOOSA-N 1 3 358.913 3.874 20 0 FHADHO CCn1cc([C@@H]2OCC[C@H]2CNC2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)cn1 ZINC000414257074 940845133 /nfs/dbraw/zinc/84/51/33/940845133.db2.gz WVGNRCJKLMMMSK-JZZBYWGLSA-N 1 3 374.573 3.613 20 0 FHADHO CCC[N@H+](CCCN(CC)CC)C1CCN(C(=O)c2ccccc2)CC1 ZINC000472586939 940975063 /nfs/dbraw/zinc/97/50/63/940975063.db2.gz UENPKJMAIHSWOU-UHFFFAOYSA-N 1 3 359.558 3.735 20 0 FHADHO CCC[N@@H+](CCCN(CC)CC)C1CCN(C(=O)c2ccccc2)CC1 ZINC000472586939 940975065 /nfs/dbraw/zinc/97/50/65/940975065.db2.gz UENPKJMAIHSWOU-UHFFFAOYSA-N 1 3 359.558 3.735 20 0 FHADHO CCN1CCN([C@H](C)C[NH2+][C@H]2CCc3cc(Cl)cc(Cl)c32)CC1 ZINC000134317508 941012932 /nfs/dbraw/zinc/01/29/32/941012932.db2.gz PXYBWSYADSCHMQ-DYVFJYSZSA-N 1 3 356.341 3.596 20 0 FHADHO C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423369529 941093077 /nfs/dbraw/zinc/09/30/77/941093077.db2.gz FAXLPJNDLZDRCY-YTQUADARSA-N 1 3 364.493 3.834 20 0 FHADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CCC(=O)Nc1cccc2ccccc21 ZINC000177319316 941116514 /nfs/dbraw/zinc/11/65/14/941116514.db2.gz IWGMLSSTVZIUKR-MOPGFXCFSA-N 1 3 351.494 3.727 20 0 FHADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2CCC(=O)Nc1cccc2ccccc21 ZINC000177319316 941116515 /nfs/dbraw/zinc/11/65/15/941116515.db2.gz IWGMLSSTVZIUKR-MOPGFXCFSA-N 1 3 351.494 3.727 20 0 FHADHO C[C@@H]1C[C@H](NC(=O)c2cccc(CN(C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000177479484 941128161 /nfs/dbraw/zinc/12/81/61/941128161.db2.gz RQZGGHQPXBOLEY-XMSQKQJNSA-N 1 3 365.521 3.531 20 0 FHADHO C[C@@H]1C[C@H](NC(=O)c2cccc(CN(C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000177479484 941128162 /nfs/dbraw/zinc/12/81/62/941128162.db2.gz RQZGGHQPXBOLEY-XMSQKQJNSA-N 1 3 365.521 3.531 20 0 FHADHO C[C@H]1C[C@@H](NC(=O)c2cccc(CN(C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000177479537 941128379 /nfs/dbraw/zinc/12/83/79/941128379.db2.gz RQZGGHQPXBOLEY-AVRDEDQJSA-N 1 3 365.521 3.531 20 0 FHADHO C[C@H]1C[C@@H](NC(=O)c2cccc(CN(C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000177479537 941128380 /nfs/dbraw/zinc/12/83/80/941128380.db2.gz RQZGGHQPXBOLEY-AVRDEDQJSA-N 1 3 365.521 3.531 20 0 FHADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)C[C@@H]2NCc3ccccc32)CC1 ZINC000659286947 941147526 /nfs/dbraw/zinc/14/75/26/941147526.db2.gz UBHILLCREKCJID-JTSKRJEESA-N 1 3 363.505 3.563 20 0 FHADHO FC(F)(F)c1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc1 ZINC000377084149 941511139 /nfs/dbraw/zinc/51/11/39/941511139.db2.gz QPXQZCGZFRYAMF-ZDUSSCGKSA-N 1 3 364.415 3.669 20 0 FHADHO Cc1nn(-c2cccc(F)c2)cc1CN[C@@H](CCC[NH3+])c1ccccc1 ZINC000415044668 941569139 /nfs/dbraw/zinc/56/91/39/941569139.db2.gz AVOBWSIYPQWYFK-NRFANRHFSA-N 1 3 352.457 3.890 20 0 FHADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(CCCc3c(F)cccc3Cl)CC2)C1 ZINC000415127764 941622684 /nfs/dbraw/zinc/62/26/84/941622684.db2.gz RETYMQSTSPJLGY-DNVCBOLYSA-N 1 3 354.897 3.630 20 0 FHADHO [NH3+]C1(CNCc2cccc(Cl)c2F)CCN(Cc2ccccc2)CC1 ZINC000415139459 941626823 /nfs/dbraw/zinc/62/68/23/941626823.db2.gz WZPVJQVWMCZVSZ-UHFFFAOYSA-N 1 3 361.892 3.562 20 0 FHADHO Cc1noc2ncc(C[NH2+]C[C@H]3CCCN(Cc4ccccc4)C3)cc12 ZINC000894209174 941707890 /nfs/dbraw/zinc/70/78/90/941707890.db2.gz PHQMDDXRZRWLJK-GOSISDBHSA-N 1 3 350.466 3.533 20 0 FHADHO C[C@@H]1C[C@@H]([NH2+]C[C@@H](c2ccccc2)N(C)C)CCN1Cc1ccccc1 ZINC000513462626 941941220 /nfs/dbraw/zinc/94/12/20/941941220.db2.gz FVJMQKWQFQCPSP-OIBXWCBGSA-N 1 3 351.538 3.932 20 0 FHADHO C[C@@H]1C[C@H]([NH2+]C[C@@H](c2ccccc2)N(C)C)CCN1Cc1ccccc1 ZINC000513462627 941941331 /nfs/dbraw/zinc/94/13/31/941941331.db2.gz FVJMQKWQFQCPSP-PTUXOGIPSA-N 1 3 351.538 3.932 20 0 FHADHO C[C@@H]1C[C@@H]([NH2+]C[C@@H](c2cccs2)N(C)C)CCN1Cc1ccccc1 ZINC000513481379 941957713 /nfs/dbraw/zinc/95/77/13/941957713.db2.gz BCIHSCRASKFCQH-HOJAQTOUSA-N 1 3 357.567 3.994 20 0 FHADHO C[C@@H]1C[C@@H](NC[C@@H](c2cccs2)N(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000513481379 941957718 /nfs/dbraw/zinc/95/77/18/941957718.db2.gz BCIHSCRASKFCQH-HOJAQTOUSA-N 1 3 357.567 3.994 20 0 FHADHO C[C@@H]1C[C@@H](NC[C@@H](c2cccs2)N(C)C)CC[N@H+]1Cc1ccccc1 ZINC000513481379 941957721 /nfs/dbraw/zinc/95/77/21/941957721.db2.gz BCIHSCRASKFCQH-HOJAQTOUSA-N 1 3 357.567 3.994 20 0 FHADHO CC[N@@H+]1CCC[C@@H](CN(C)C/C=C/c2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000434024011 942051811 /nfs/dbraw/zinc/05/18/11/942051811.db2.gz GOHSNNJAUJHTRL-QLUYHJEBSA-N 1 3 352.526 3.838 20 0 FHADHO CC[N@H+]1CCC[C@@H](CN(C)C/C=C/c2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000434024011 942051813 /nfs/dbraw/zinc/05/18/13/942051813.db2.gz GOHSNNJAUJHTRL-QLUYHJEBSA-N 1 3 352.526 3.838 20 0 FHADHO CC(C)N1CCN(CCC[NH2+][C@@H](C)C2(c3ccccc3)CCCC2)CC1 ZINC000501980463 942149897 /nfs/dbraw/zinc/14/98/97/942149897.db2.gz RXQWSMOMONPREA-NRFANRHFSA-N 1 3 357.586 3.893 20 0 FHADHO CC[NH2+]Cc1ccccc1NC(=O)NC[C@@H](N[C@@H](C)CC)c1ccco1 ZINC000415933013 942158362 /nfs/dbraw/zinc/15/83/62/942158362.db2.gz PCFULFBGHRTTMU-MAUKXSAKSA-N 1 3 358.486 3.640 20 0 FHADHO CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)Nc2ccc3c(c2)CNC3)CC1 ZINC000416010320 942258854 /nfs/dbraw/zinc/25/88/54/942258854.db2.gz NVWJOLAWBPAPGG-UHFFFAOYSA-N 1 3 358.530 3.654 20 0 FHADHO C[C@@H]1C[N@H+](Cc2ccc(Cl)c3ccccc23)CC[C@@H]1N1CCN(C)CC1 ZINC000420931714 942260831 /nfs/dbraw/zinc/26/08/31/942260831.db2.gz GVLJAHINBJLQEM-VGSWGCGISA-N 1 3 371.956 3.951 20 0 FHADHO C[C@@H]1C[N@@H+](Cc2ccc(Cl)c3ccccc23)CC[C@@H]1N1CCN(C)CC1 ZINC000420931714 942260834 /nfs/dbraw/zinc/26/08/34/942260834.db2.gz GVLJAHINBJLQEM-VGSWGCGISA-N 1 3 371.956 3.951 20 0 FHADHO CCN1CCN(c2ccccc2CNc2ccc(C[NH+](C)C)cc2F)CC1 ZINC000414487116 942294107 /nfs/dbraw/zinc/29/41/07/942294107.db2.gz MEHPNMXWJRMLMH-UHFFFAOYSA-N 1 3 370.516 3.641 20 0 FHADHO CCN1CCN(c2ccccc2C[NH2+]C2CCC(C(F)F)CC2)CC1 ZINC000419773314 942378319 /nfs/dbraw/zinc/37/83/19/942378319.db2.gz AMGHBEDJCUIDLP-UHFFFAOYSA-N 1 3 351.485 3.742 20 0 FHADHO Cc1ccnc([C@H](C)[NH2+]CCCCN2CCN(c3ccccc3)CC2)c1 ZINC000513713745 942475505 /nfs/dbraw/zinc/47/55/05/942475505.db2.gz SNCOGEUYPYJCPK-FQEVSTJZSA-N 1 3 352.526 3.643 20 0 FHADHO COc1ccc([C@H](C[NH3+])CNC2(c3ccc(Cl)cc3)CCOCC2)cc1 ZINC000420309079 942614741 /nfs/dbraw/zinc/61/47/41/942614741.db2.gz SXENNSFPFQXPFL-QGZVFWFLSA-N 1 3 374.912 3.686 20 0 FHADHO COc1ccc([C@H](CN)C[NH2+]C2(c3ccc(Cl)cc3)CCOCC2)cc1 ZINC000420309079 942614744 /nfs/dbraw/zinc/61/47/44/942614744.db2.gz SXENNSFPFQXPFL-QGZVFWFLSA-N 1 3 374.912 3.686 20 0 FHADHO Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000420341007 942625140 /nfs/dbraw/zinc/62/51/40/942625140.db2.gz PPIGJJBEOWQBGT-VWPQPMDRSA-N 1 3 363.505 3.606 20 0 FHADHO [NH3+]C[C@H](NCCC(=O)Nc1cc(Cl)ccc1Cl)C1CCCCC1 ZINC000420362743 942639825 /nfs/dbraw/zinc/63/98/25/942639825.db2.gz ISQCGQANPMMJBQ-INIZCTEOSA-N 1 3 358.313 3.819 20 0 FHADHO COc1ccc([C@H](C[NH3+])CN[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000420395486 942653775 /nfs/dbraw/zinc/65/37/75/942653775.db2.gz DLJGKQZBUMPMTR-NSISKUIASA-N 1 3 360.885 3.511 20 0 FHADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCC[C@H](N2CCCC2=O)CC1 ZINC000414551681 942813128 /nfs/dbraw/zinc/81/31/28/942813128.db2.gz PFZUFGSIPORLEV-NRFANRHFSA-N 1 3 371.569 3.622 20 0 FHADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC[C@H](N2CCCC2=O)CC1 ZINC000414551681 942813132 /nfs/dbraw/zinc/81/31/32/942813132.db2.gz PFZUFGSIPORLEV-NRFANRHFSA-N 1 3 371.569 3.622 20 0 FHADHO COc1ccc([C@@H](C)[NH2+][C@H](C)Cc2cc(C)n[nH]2)cc1CN1CCCCC1 ZINC000183352753 942862996 /nfs/dbraw/zinc/86/29/96/942862996.db2.gz SJOCENJIVOIATP-SJLPKXTDSA-N 1 3 370.541 3.994 20 0 FHADHO Cc1c([C@@H](C)NC2CCC([NH+](C)C)CC2)nnn1-c1ccc(Cl)cc1 ZINC000421890530 942867449 /nfs/dbraw/zinc/86/74/49/942867449.db2.gz XYTPRUKQOWQYQT-NVPAJSRCSA-N 1 3 361.921 3.753 20 0 FHADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)N[C@@H](C[NH3+])C1CCCCC1 ZINC000414854223 942969193 /nfs/dbraw/zinc/96/91/93/942969193.db2.gz URZWZOFVYRETFD-BEFAXECRSA-N 1 3 365.949 3.574 20 0 FHADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CC1(N)CCCCCC1 ZINC000414857338 943029571 /nfs/dbraw/zinc/02/95/71/943029571.db2.gz CWYMVTXAGKAPFN-CQSZACIVSA-N 1 3 367.921 3.707 20 0 FHADHO CCOc1cc(CN2CCC(C[NH3+])CC2)ccc1OCc1ccccc1 ZINC000414662148 943143563 /nfs/dbraw/zinc/14/35/63/943143563.db2.gz YVEOYCJNUMOJBH-UHFFFAOYSA-N 1 3 354.494 3.835 20 0 FHADHO COc1c(O)cccc1CNCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000272413049 943152336 /nfs/dbraw/zinc/15/23/36/943152336.db2.gz LCQRTRMICQOMLD-UHFFFAOYSA-N 1 3 366.461 3.916 20 0 FHADHO COc1c(O)cccc1CNCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000272413049 943152339 /nfs/dbraw/zinc/15/23/39/943152339.db2.gz LCQRTRMICQOMLD-UHFFFAOYSA-N 1 3 366.461 3.916 20 0 FHADHO C[C@@H]1C[C@H](C)N(Cc2ccc(C(=O)Nc3ccccc3)cc2)C[C@@H]1C[NH3+] ZINC000422631204 943214332 /nfs/dbraw/zinc/21/43/32/943214332.db2.gz FGBTUEVJRHHYCI-UWVAXJGDSA-N 1 3 351.494 3.744 20 0 FHADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000422706724 943241390 /nfs/dbraw/zinc/24/13/90/943241390.db2.gz FRSLSMMNSASFOQ-YLJYHZDGSA-N 1 3 355.457 3.685 20 0 FHADHO Cc1ccc(C(=O)Nc2cccc(CN[C@@H]3CCCC[C@@H]3C[NH3+])c2)cc1 ZINC000422707109 943241429 /nfs/dbraw/zinc/24/14/29/943241429.db2.gz GRDZUMJHGBQITF-TZIWHRDSSA-N 1 3 351.494 3.854 20 0 FHADHO Fc1ccc(Br)cc1CCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422706258 943241580 /nfs/dbraw/zinc/24/15/80/943241580.db2.gz UBXBSCDXLPDLIH-UAGQMJEPSA-N 1 3 355.295 3.641 20 0 FHADHO COc1ccc([C@@H](C)NCc2ccccc2C[NH+]2CCC(O)CC2)cc1C ZINC000272955435 943249852 /nfs/dbraw/zinc/24/98/52/943249852.db2.gz QVVQGTFLMJEFKQ-GOSISDBHSA-N 1 3 368.521 3.811 20 0 FHADHO NC[C@H]1CCCC[C@H]1[NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000422714475 943253827 /nfs/dbraw/zinc/25/38/27/943253827.db2.gz RBRBGQVWDYDEPT-VQIMIIECSA-N 1 3 369.475 3.777 20 0 FHADHO CCOc1ccc(Oc2cc(CN[C@@H]3CCCC[C@@H]3C[NH3+])ccn2)cc1 ZINC000422718734 943256652 /nfs/dbraw/zinc/25/66/52/943256652.db2.gz XLBLTLUYBKDWNQ-YLJYHZDGSA-N 1 3 355.482 3.880 20 0 FHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H](C)Cc1cccc(Br)c1 ZINC000422758757 943263459 /nfs/dbraw/zinc/26/34/59/943263459.db2.gz JWRCVEJOWONGLK-CHWSQXEVSA-N 1 3 362.315 3.893 20 0 FHADHO NC[C@H]1CCCC[C@@H]1[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000422762097 943265957 /nfs/dbraw/zinc/26/59/57/943265957.db2.gz NKBGYYXPEOBWRE-QAPCUYQASA-N 1 3 370.459 3.861 20 0 FHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000422769308 943276985 /nfs/dbraw/zinc/27/69/85/943276985.db2.gz OPIYSFMMVDYKAN-BTYIYWSLSA-N 1 3 355.482 3.668 20 0 FHADHO COc1ccc(C[C@@H](N[C@@H]2CCC[NH2+]CC2)c2ccc(OC)cc2)cc1 ZINC000422771846 943277439 /nfs/dbraw/zinc/27/74/39/943277439.db2.gz RRFYTILEDBBHFG-DENIHFKCSA-N 1 3 354.494 3.719 20 0 FHADHO CC(C)[NH+]1CCC(O)(CNCc2ccc(-c3ccccc3)cc2F)CC1 ZINC000503590946 943278646 /nfs/dbraw/zinc/27/86/46/943278646.db2.gz DBUZXBGPHMGMON-UHFFFAOYSA-N 1 3 356.485 3.818 20 0 FHADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCc1csc(-c2ccccc2)n1 ZINC000422777975 943279059 /nfs/dbraw/zinc/27/90/59/943279059.db2.gz DEUPHFFPHDFKOD-JXFKEZNVSA-N 1 3 351.519 3.901 20 0 FHADHO CCOCc1ccccc1CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422810011 943291111 /nfs/dbraw/zinc/29/11/11/943291111.db2.gz QSOIRWRCJOSPAF-RBBKRZOGSA-N 1 3 352.478 3.569 20 0 FHADHO Cc1c(Cl)cccc1NC(=O)CCN[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000422857059 943307200 /nfs/dbraw/zinc/30/72/00/943307200.db2.gz GODXGLSZFBDWMM-HOCLYGCPSA-N 1 3 351.922 3.877 20 0 FHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000422844141 943312257 /nfs/dbraw/zinc/31/22/57/943312257.db2.gz KYFJBPQDARIYLK-QVKFZJNVSA-N 1 3 372.944 3.990 20 0 FHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000422844140 943312407 /nfs/dbraw/zinc/31/24/07/943312407.db2.gz KYFJBPQDARIYLK-BTYIYWSLSA-N 1 3 372.944 3.990 20 0 FHADHO Clc1cccc([C@H](CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)N2CCCC2)c1 ZINC000422843422 943312418 /nfs/dbraw/zinc/31/24/18/943312418.db2.gz IFPGVYIJFUAHTQ-BURNTYAHSA-N 1 3 361.961 3.987 20 0 FHADHO COc1cccc2c1CC[C@@H]2N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422883114 943316234 /nfs/dbraw/zinc/31/62/34/943316234.db2.gz BOZMRBFBEJUWRG-JQVVWYNYSA-N 1 3 350.462 3.528 20 0 FHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCc1ccc(OC(F)(F)F)cc1 ZINC000422890066 943319701 /nfs/dbraw/zinc/31/97/01/943319701.db2.gz HUMDALNPKWVAQE-GFCCVEGCSA-N 1 3 353.388 3.641 20 0 FHADHO c1sc(CCN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)nc1-c1ccncc1 ZINC000422907740 943327314 /nfs/dbraw/zinc/32/73/14/943327314.db2.gz CHEDNOUKDFMXJJ-KZNAEPCWSA-N 1 3 356.539 3.648 20 0 FHADHO COC[C@@H](CCC[NH3+])NCc1ccc(-c2ccc(Cl)cc2)cc1F ZINC000422925582 943334181 /nfs/dbraw/zinc/33/41/81/943334181.db2.gz BDRJVOTXLCSPGC-GOSISDBHSA-N 1 3 350.865 3.990 20 0 FHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H](C(C)C)N1CCc2ccccc2C1 ZINC000422937020 943337895 /nfs/dbraw/zinc/33/78/95/943337895.db2.gz IZAIREYQRQAUSX-HXOBKFHXSA-N 1 3 366.553 3.582 20 0 FHADHO COc1ccccc1SC[C@H](C)C[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000422942172 943339812 /nfs/dbraw/zinc/33/98/12/943339812.db2.gz IWVXKIGLYTZFMW-CABCVRRESA-N 1 3 359.539 3.936 20 0 FHADHO CCN(CC)[C@H](CNC(=O)CC[C@@H]1CCCC[N@@H+]1C)c1ccsc1 ZINC000431922379 943346645 /nfs/dbraw/zinc/34/66/45/943346645.db2.gz KSNFJGYSYPVYET-ZWKOTPCHSA-N 1 3 351.560 3.512 20 0 FHADHO CCN(CC)[C@H](CNC(=O)CC[C@@H]1CCCC[N@H+]1C)c1ccsc1 ZINC000431922379 943346648 /nfs/dbraw/zinc/34/66/48/943346648.db2.gz KSNFJGYSYPVYET-ZWKOTPCHSA-N 1 3 351.560 3.512 20 0 FHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCOc1ccccc1C(F)(F)F ZINC000422951792 943347600 /nfs/dbraw/zinc/34/76/00/943347600.db2.gz AERPWOHVVAFTRR-GFCCVEGCSA-N 1 3 353.388 3.597 20 0 FHADHO c1ccc([C@H](N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)[C@H]2CCOC2)cc1 ZINC000422986183 943358960 /nfs/dbraw/zinc/35/89/60/943358960.db2.gz GQCPXOAYNXIRKU-NKRSRWBGSA-N 1 3 364.489 3.610 20 0 FHADHO Clc1ccccc1OCCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423003648 943362198 /nfs/dbraw/zinc/36/21/98/943362198.db2.gz MRNPWPZYUXFHCE-FXAWDEMLSA-N 1 3 358.869 3.564 20 0 FHADHO C[C@H](C[C@H](C)[NH3+])NCCOc1c(Cl)cc(Br)cc1Cl ZINC000423023663 943369864 /nfs/dbraw/zinc/36/98/64/943369864.db2.gz HZKVXWAFWPYLAS-DTWKUNHWSA-N 1 3 370.118 3.850 20 0 FHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000423038889 943374063 /nfs/dbraw/zinc/37/40/63/943374063.db2.gz DJPIURZEBIVLGD-DZGCQCFKSA-N 1 3 362.880 3.571 20 0 FHADHO Fc1ccc(N2CC[C@H](N[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)C2)cc1Cl ZINC000423040653 943374946 /nfs/dbraw/zinc/37/49/46/943374946.db2.gz HSHYQOUXJWDNGN-LLBUTXAOSA-N 1 3 351.897 3.568 20 0 FHADHO FC(F)(F)c1ccccc1N1CC[C@H](N[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000423057813 943377502 /nfs/dbraw/zinc/37/75/02/943377502.db2.gz AWLALGXKMZSAMO-CWLKWCNXSA-N 1 3 367.459 3.794 20 0 FHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000423051463 943383621 /nfs/dbraw/zinc/38/36/21/943383621.db2.gz NJWHZWXYEOGROO-NDXORKPFSA-N 1 3 353.510 3.883 20 0 FHADHO CCO[C@H](CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000423089112 943390895 /nfs/dbraw/zinc/39/08/95/943390895.db2.gz RRZRXVLEAXKDPJ-NNWRFLSQSA-N 1 3 352.478 3.610 20 0 FHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000423132799 943413928 /nfs/dbraw/zinc/41/39/28/943413928.db2.gz UWKOICLUKSRARL-ZHRRBRCNSA-N 1 3 370.541 3.589 20 0 FHADHO CC(C)[NH+](CCN(C)C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1)C(C)C ZINC000503986615 943443023 /nfs/dbraw/zinc/44/30/23/943443023.db2.gz LWGIGDASHQAIQE-TZIWHRDSSA-N 1 3 374.573 3.582 20 0 FHADHO COCCC[C@H](NC[C@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000423215057 943445782 /nfs/dbraw/zinc/44/57/82/943445782.db2.gz QCDQUUYACSULTI-YOEHRIQHSA-N 1 3 355.320 3.506 20 0 FHADHO CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414733826 943482042 /nfs/dbraw/zinc/48/20/42/943482042.db2.gz KGSOCUWSMFLBTP-KGLIPLIRSA-N 1 3 362.905 3.589 20 0 FHADHO Cc1ccc([C@H](CNC(=O)c2ccc([C@H](C)[NH3+])cc2)N2CCCC2)cc1 ZINC000423360308 943491001 /nfs/dbraw/zinc/49/10/01/943491001.db2.gz QKEGWLRPCUYMNE-UWJYYQICSA-N 1 3 351.494 3.582 20 0 FHADHO CC(C)NC(=O)Nc1ccc([C@H](C)NCc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000423367563 943493335 /nfs/dbraw/zinc/49/33/35/943493335.db2.gz CTFCPHIZHZGRGN-HNNXBMFYSA-N 1 3 352.482 3.671 20 0 FHADHO C[C@@H]1C[C@@H](N[C@@H](c2cccc(Br)c2)C2CCOCC2)CC[NH2+]1 ZINC000423384082 943497556 /nfs/dbraw/zinc/49/75/56/943497556.db2.gz PWJPSNJNORVFJL-JEBQAFNWSA-N 1 3 367.331 3.647 20 0 FHADHO C[C@@H]1C[C@H](N[C@H](c2cccc(Br)c2)C2CCOCC2)CC[NH2+]1 ZINC000423384084 943497741 /nfs/dbraw/zinc/49/77/41/943497741.db2.gz PWJPSNJNORVFJL-XWIAVFTESA-N 1 3 367.331 3.647 20 0 FHADHO COC[C@]1(C[NH2+][C@@H]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)CCCN1 ZINC000423420453 943505251 /nfs/dbraw/zinc/50/52/51/943505251.db2.gz XEACYTAVPHAHGQ-CGTJXYLNSA-N 1 3 356.432 3.700 20 0 FHADHO COCC1(CN[C@H](c2cc3ccccc3o2)c2cccnc2)CC[NH2+]CC1 ZINC000423407234 943508596 /nfs/dbraw/zinc/50/85/96/943508596.db2.gz MDGUAPDQORSMSX-NRFANRHFSA-N 1 3 365.477 3.523 20 0 FHADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000515150125 943524658 /nfs/dbraw/zinc/52/46/58/943524658.db2.gz ZPAHFOXVCFTVCH-LJQANCHMSA-N 1 3 365.521 3.533 20 0 FHADHO COc1cc(NC(C)=O)ccc1[C@H](C)N[C@H](CCC[NH3+])c1ccccc1 ZINC000423500195 943529949 /nfs/dbraw/zinc/52/99/49/943529949.db2.gz KELFIYJRZBFJBY-MGPUTAFESA-N 1 3 355.482 3.784 20 0 FHADHO C[C@H](NCC1([NH3+])CCN(Cc2ccccc2)CC1)c1ccccc1Cl ZINC000423572186 943560298 /nfs/dbraw/zinc/56/02/98/943560298.db2.gz ODRKZRGWXNPRRD-KRWDZBQOSA-N 1 3 357.929 3.984 20 0 FHADHO OC[C@@H](CNC1CC[NH+](CCc2ccccc2)CC1)c1ccccc1Cl ZINC000584831326 943710333 /nfs/dbraw/zinc/71/03/33/943710333.db2.gz PFLGOAFYBROZDA-LJQANCHMSA-N 1 3 372.940 3.713 20 0 FHADHO C[C@H]1CC2(CN1CC(=O)Nc1ccccc1-c1ccccc1)CC[NH2+]CC2 ZINC000424298126 943826289 /nfs/dbraw/zinc/82/62/89/943826289.db2.gz TXXIJYBTWTVVHJ-SFHVURJKSA-N 1 3 363.505 3.756 20 0 FHADHO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(C[C@H]1CCCO1)C(F)(F)F ZINC000651445509 943850993 /nfs/dbraw/zinc/85/09/93/943850993.db2.gz YIYURYXWWFKRAS-CABCVRRESA-N 1 3 358.404 3.743 20 0 FHADHO CCOc1c(Cl)cc(CN2CC3(C[C@H]2C)CC[NH2+]CC3)cc1OC ZINC000424375882 943887121 /nfs/dbraw/zinc/88/71/21/943887121.db2.gz KJYPALSRFYFOAV-CQSZACIVSA-N 1 3 352.906 3.711 20 0 FHADHO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CC2CCC3(CC2)OCCO3)C1 ZINC000190233790 943999266 /nfs/dbraw/zinc/99/92/66/943999266.db2.gz BGWKKLPPUCDLAW-AZUAARDMSA-N 1 3 350.547 3.506 20 0 FHADHO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(CC2CCC3(CC2)OCCO3)C1 ZINC000190233790 943999272 /nfs/dbraw/zinc/99/92/72/943999272.db2.gz BGWKKLPPUCDLAW-AZUAARDMSA-N 1 3 350.547 3.506 20 0 FHADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CC2CCC3(CC2)OCCO3)C1 ZINC000190233775 943999738 /nfs/dbraw/zinc/99/97/38/943999738.db2.gz BGWKKLPPUCDLAW-UYAOXDASSA-N 1 3 350.547 3.506 20 0 FHADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(CC2CCC3(CC2)OCCO3)C1 ZINC000190233775 943999744 /nfs/dbraw/zinc/99/97/44/943999744.db2.gz BGWKKLPPUCDLAW-UYAOXDASSA-N 1 3 350.547 3.506 20 0 FHADHO COc1ccc(C(=O)Nc2cccc(CN[C@H]3CCCC[C@H]3C[NH3+])c2)cc1 ZINC000414809085 944077171 /nfs/dbraw/zinc/07/71/71/944077171.db2.gz TXQJSRUPXFDJJX-RXVVDRJESA-N 1 3 367.493 3.555 20 0 FHADHO c1cc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)cs1 ZINC000436237486 944139917 /nfs/dbraw/zinc/13/99/17/944139917.db2.gz GQYNGRWBWOUJKK-SFHVURJKSA-N 1 3 366.534 3.792 20 0 FHADHO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1CCCN1C1CCCCC1 ZINC000436293353 944179207 /nfs/dbraw/zinc/17/92/07/944179207.db2.gz MJZYSIOUEZIURE-PTUXOGIPSA-N 1 3 370.585 3.679 20 0 FHADHO CN(C)Cc1ccc(C[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)cc1F ZINC000436416266 944289422 /nfs/dbraw/zinc/28/94/22/944289422.db2.gz MFLBOWGSGNXCLY-UHFFFAOYSA-N 1 3 370.447 3.561 20 0 FHADHO CC(C)[N@H+](C)C[C@H](O)CN[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000660373306 944362905 /nfs/dbraw/zinc/36/29/05/944362905.db2.gz OVCMUWGIIKODHY-QGPMSJSTSA-N 1 3 358.448 3.632 20 0 FHADHO CC(C)[N@@H+](C)C[C@H](O)CN[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000660373306 944362907 /nfs/dbraw/zinc/36/29/07/944362907.db2.gz OVCMUWGIIKODHY-QGPMSJSTSA-N 1 3 358.448 3.632 20 0 FHADHO CC[C@@H](N)C[NH2+][C@H](C)COc1ccc2cc(Br)ccc2c1 ZINC000414994240 944521323 /nfs/dbraw/zinc/52/13/23/944521323.db2.gz UPAHVLWLGQELQC-MLGOLLRUSA-N 1 3 351.288 3.697 20 0 FHADHO COCC[N@H+](C)CCCC1CCN(Cc2ccc(C(F)(F)F)cn2)CC1 ZINC000517763228 944583492 /nfs/dbraw/zinc/58/34/92/944583492.db2.gz JQOFXNNFWHXZON-UHFFFAOYSA-N 1 3 373.463 3.671 20 0 FHADHO COCC[N@@H+](C)CCCC1CCN(Cc2ccc(C(F)(F)F)cn2)CC1 ZINC000517763228 944583495 /nfs/dbraw/zinc/58/34/95/944583495.db2.gz JQOFXNNFWHXZON-UHFFFAOYSA-N 1 3 373.463 3.671 20 0 FHADHO C[NH+](C)CC1CCN(Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC1 ZINC000506909524 944728819 /nfs/dbraw/zinc/72/88/19/944728819.db2.gz KPNFOWZEDSHMTP-UHFFFAOYSA-N 1 3 354.542 3.943 20 0 FHADHO CC(C)[C@H](C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1)N1CCCCC1 ZINC000518806892 944788403 /nfs/dbraw/zinc/78/84/03/944788403.db2.gz YISFRAFNQODZHF-UYAOXDASSA-N 1 3 359.558 3.743 20 0 FHADHO CCN(CC)[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)c1ccsc1 ZINC000438572763 944789406 /nfs/dbraw/zinc/78/94/06/944789406.db2.gz GKYGZVWRVWOCHG-RBUKOAKNSA-N 1 3 363.571 3.654 20 0 FHADHO CCN(CC)[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)c1ccsc1 ZINC000438572763 944789411 /nfs/dbraw/zinc/78/94/11/944789411.db2.gz GKYGZVWRVWOCHG-RBUKOAKNSA-N 1 3 363.571 3.654 20 0 FHADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000516397474 944794503 /nfs/dbraw/zinc/79/45/03/944794503.db2.gz BDGJLUNZNXXHNW-LJQANCHMSA-N 1 3 357.542 3.524 20 0 FHADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000516397474 944794509 /nfs/dbraw/zinc/79/45/09/944794509.db2.gz BDGJLUNZNXXHNW-LJQANCHMSA-N 1 3 357.542 3.524 20 0 FHADHO CCC[C@]1(C)CCCN(C(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)C1 ZINC000516489672 944936992 /nfs/dbraw/zinc/93/69/92/944936992.db2.gz DJYDJFKMWZVAKV-JOCHJYFZSA-N 1 3 363.590 3.612 20 0 FHADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccccc2N(C)C(C)C)[C@@H](C)C1 ZINC000437089041 945008451 /nfs/dbraw/zinc/00/84/51/945008451.db2.gz ABJAAKYNYWBMKT-FPOVZHCZSA-N 1 3 361.574 3.758 20 0 FHADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@H]3CCC[C@@H](N4CCCC4=O)C3)CC2)C1 ZINC000519001204 945015208 /nfs/dbraw/zinc/01/52/08/945015208.db2.gz SZLWCYYAONPDCQ-BVOGOJNSSA-N 1 3 361.574 3.553 20 0 FHADHO Cc1cc(-n2ccnc2)ccc1C[NH+]1CCC(NCc2ccccc2)CC1 ZINC000660675083 945382250 /nfs/dbraw/zinc/38/22/50/945382250.db2.gz FZKVUDCQTNKLRC-UHFFFAOYSA-N 1 3 360.505 3.935 20 0 FHADHO C[C@H](CCc1ccccc1)[NH+]1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000519498367 945491109 /nfs/dbraw/zinc/49/11/09/945491109.db2.gz FJLCXKUWAIUYEC-JOCHJYFZSA-N 1 3 365.565 3.757 20 0 FHADHO CCC[NH+]1CCN(c2ccccc2CN2CCC(F)(F)[C@@H](C)C2)CC1 ZINC000579063056 945738553 /nfs/dbraw/zinc/73/85/53/945738553.db2.gz QJWHBJHFUJBPPP-KRWDZBQOSA-N 1 3 351.485 3.696 20 0 FHADHO Clc1cc(Br)ccc1CCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000645504389 945979673 /nfs/dbraw/zinc/97/96/73/945979673.db2.gz IYVJZUZQYYYPQC-CABCVRRESA-N 1 3 357.723 3.861 20 0 FHADHO Clc1cc(Br)ccc1CCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000645504389 945979677 /nfs/dbraw/zinc/97/96/77/945979677.db2.gz IYVJZUZQYYYPQC-CABCVRRESA-N 1 3 357.723 3.861 20 0 FHADHO CCCN1CCC[C@H]1C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000522893114 946073930 /nfs/dbraw/zinc/07/39/30/946073930.db2.gz HWVYHOMZMOPUGE-NQIIRXRSSA-N 1 3 357.542 3.552 20 0 FHADHO CCCN1CCC[C@H]1C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000522893114 946073943 /nfs/dbraw/zinc/07/39/43/946073943.db2.gz HWVYHOMZMOPUGE-NQIIRXRSSA-N 1 3 357.542 3.552 20 0 FHADHO CC(C)[NH+]1CCC(N2CCN(CCc3ccc4ccccc4c3)CC2)CC1 ZINC000441057953 946153846 /nfs/dbraw/zinc/15/38/46/946153846.db2.gz DYUGSTDVAVPLPK-UHFFFAOYSA-N 1 3 365.565 3.873 20 0 FHADHO CCOc1cc2nccc(N3CCC[C@H]4C[N@H+](C)CC[C@@H]43)c2cc1OCC ZINC000302752163 946309816 /nfs/dbraw/zinc/30/98/16/946309816.db2.gz UVEPHRFFUJBWCL-LPHOPBHVSA-N 1 3 369.509 3.953 20 0 FHADHO CCOc1cc2nccc(N3CCC[C@H]4C[N@@H+](C)CC[C@@H]43)c2cc1OCC ZINC000302752163 946309829 /nfs/dbraw/zinc/30/98/29/946309829.db2.gz UVEPHRFFUJBWCL-LPHOPBHVSA-N 1 3 369.509 3.953 20 0 FHADHO C[C@@H]1C[C@@H](N2CC[C@@H](Oc3cccnc3)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168056013 946320187 /nfs/dbraw/zinc/32/01/87/946320187.db2.gz ZWTQOSCBSVSWOA-MHXAIHSWSA-N 1 3 365.521 3.976 20 0 FHADHO C[C@@H]1C[C@@H](N2CC[C@@H](Oc3cccnc3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168056013 946320191 /nfs/dbraw/zinc/32/01/91/946320191.db2.gz ZWTQOSCBSVSWOA-MHXAIHSWSA-N 1 3 365.521 3.976 20 0 FHADHO C[C@@H]1CC(N2CC[C@H](Oc3cccnc3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168056014 946320431 /nfs/dbraw/zinc/32/04/31/946320431.db2.gz ZWTQOSCBSVSWOA-PWHSHALESA-N 1 3 365.521 3.976 20 0 FHADHO O[C@H]1CC[N@H+](Cc2ccccc2CNCc2ccc(C(F)F)c(F)c2)C1 ZINC000893488455 946439245 /nfs/dbraw/zinc/43/92/45/946439245.db2.gz USLZHZHDCUPRQC-KRWDZBQOSA-N 1 3 364.411 3.620 20 0 FHADHO O[C@H]1CC[N@@H+](Cc2ccccc2CNCc2ccc(C(F)F)c(F)c2)C1 ZINC000893488455 946439253 /nfs/dbraw/zinc/43/92/53/946439253.db2.gz USLZHZHDCUPRQC-KRWDZBQOSA-N 1 3 364.411 3.620 20 0 FHADHO CCOC(=O)NC1CCN(C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001168056673 946493912 /nfs/dbraw/zinc/49/39/12/946493912.db2.gz HQWCKEHWOMFSKU-QZTJIDSGSA-N 1 3 373.541 3.639 20 0 FHADHO CN1CCN(CC[NH2+]Cc2ccc(-c3cccc(F)c3)s2)CC1(C)C ZINC000441350654 946503020 /nfs/dbraw/zinc/50/30/20/946503020.db2.gz CADGAOXSBCAOHJ-UHFFFAOYSA-N 1 3 361.530 3.670 20 0 FHADHO CCN(C(C)=O)C1CCN(C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001168056998 946536729 /nfs/dbraw/zinc/53/67/29/946536729.db2.gz LIOKNOZWFFILSC-RTBURBONSA-N 1 3 371.569 3.761 20 0 FHADHO CCN(C(C)=O)C1CCN([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168056996 946536991 /nfs/dbraw/zinc/53/69/91/946536991.db2.gz LIOKNOZWFFILSC-BBIADKPPSA-N 1 3 371.569 3.761 20 0 FHADHO CCN(C(C)=O)C1CCN([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168056996 946536998 /nfs/dbraw/zinc/53/69/98/946536998.db2.gz LIOKNOZWFFILSC-BBIADKPPSA-N 1 3 371.569 3.761 20 0 FHADHO C[C@H]1[C@@H](C(F)(F)F)CCN1Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000475270484 946803590 /nfs/dbraw/zinc/80/35/90/946803590.db2.gz RDHHZQQCEYMNKG-YJBOKZPZSA-N 1 3 369.475 3.990 20 0 FHADHO CCNC(=O)OC1CCN([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168060754 946823720 /nfs/dbraw/zinc/82/37/20/946823720.db2.gz YAFJFIUWXHWURN-OPVJXMOQSA-N 1 3 373.541 3.639 20 0 FHADHO CCNC(=O)OC1CCN([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168060754 946823730 /nfs/dbraw/zinc/82/37/30/946823730.db2.gz YAFJFIUWXHWURN-OPVJXMOQSA-N 1 3 373.541 3.639 20 0 FHADHO OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CNCc1ccc2occc2c1 ZINC000511925853 947013468 /nfs/dbraw/zinc/01/34/68/947013468.db2.gz IIVPAGBZUKIBLY-NRFANRHFSA-N 1 3 350.462 3.679 20 0 FHADHO OC[C@@H]1CCC[N@H+]1Cc1ccccc1CNCc1ccc2occc2c1 ZINC000511925853 947013479 /nfs/dbraw/zinc/01/34/79/947013479.db2.gz IIVPAGBZUKIBLY-NRFANRHFSA-N 1 3 350.462 3.679 20 0 FHADHO CC[NH+](CC)CCCC1CC[NH+]([C@@H](C)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825412141 947181491 /nfs/dbraw/zinc/18/14/91/947181491.db2.gz LWLPLLRFLMIQEX-KRWDZBQOSA-N 1 3 370.545 3.762 20 0 FHADHO CC[NH+](CC)CCCC1CC[NH+]([C@@H](C)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825412141 947181497 /nfs/dbraw/zinc/18/14/97/947181497.db2.gz LWLPLLRFLMIQEX-KRWDZBQOSA-N 1 3 370.545 3.762 20 0 FHADHO CC[C@H](c1ccccc1)N(CC(=O)NC1CC[NH+](C2CC2)CC1)C(C)C ZINC000662108782 947299409 /nfs/dbraw/zinc/29/94/09/947299409.db2.gz QFTIBCLDPLSDLA-OAQYLSRUSA-N 1 3 357.542 3.591 20 0 FHADHO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)N(C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662265088 947684400 /nfs/dbraw/zinc/68/44/00/947684400.db2.gz WATJTVDBSVTNQF-WMZOPIPTSA-N 1 3 371.550 3.941 20 0 FHADHO COc1ccc(-c2noc([C@@H](C)N3CCC[C@H](C4CC[NH2+]CC4)C3)n2)cc1 ZINC000662294081 947715954 /nfs/dbraw/zinc/71/59/54/947715954.db2.gz OWGMXOVWCGXXFH-QAPCUYQASA-N 1 3 370.497 3.518 20 0 FHADHO C[C@H](c1ccccc1F)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662326979 947747663 /nfs/dbraw/zinc/74/76/63/947747663.db2.gz BXUGFODVXGIRSG-OAHLLOKOSA-N 1 3 356.489 3.956 20 0 FHADHO C[C@H]([NH2+]C1(CNC(=O)c2cccc3c2CNC3)CCCC1)c1ccccc1 ZINC000662452734 947823265 /nfs/dbraw/zinc/82/32/65/947823265.db2.gz WHSPNSQOOMKAAK-KRWDZBQOSA-N 1 3 363.505 3.683 20 0 FHADHO CC1CC[NH+](CCc2cccc(NC(=O)c3cccc4c3CNC4)c2)CC1 ZINC000662511268 947880872 /nfs/dbraw/zinc/88/08/72/947880872.db2.gz QTXOOCLVPNDSLA-UHFFFAOYSA-N 1 3 363.505 3.817 20 0 FHADHO C[C@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)c1ccc([S@](C)=O)cc1 ZINC000165321347 947889375 /nfs/dbraw/zinc/88/93/75/947889375.db2.gz CIKNKKMBIKVCEM-STTRJGPESA-N 1 3 370.562 3.639 20 0 FHADHO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@@H]1CCCN(CC2CC2)C1)CC3 ZINC000663470624 948066444 /nfs/dbraw/zinc/06/64/44/948066444.db2.gz VQNXCQRDRBSEKJ-ROUUACIJSA-N 1 3 367.537 3.745 20 0 FHADHO Cc1cccc(NC(=O)C[C@H](C)NC[C@H]2CCC[N@H+](CC3CC3)C2)c1C ZINC000663472234 948068262 /nfs/dbraw/zinc/06/82/62/948068262.db2.gz ZXUSFJDOLUVBMJ-FXAWDEMLSA-N 1 3 357.542 3.732 20 0 FHADHO Cc1cccc(NC(=O)C[C@H](C)NC[C@H]2CCC[N@@H+](CC3CC3)C2)c1C ZINC000663472234 948068273 /nfs/dbraw/zinc/06/82/73/948068273.db2.gz ZXUSFJDOLUVBMJ-FXAWDEMLSA-N 1 3 357.542 3.732 20 0 FHADHO Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCCN(CC3CC3)C2)c1C ZINC000663472234 948068283 /nfs/dbraw/zinc/06/82/83/948068283.db2.gz ZXUSFJDOLUVBMJ-FXAWDEMLSA-N 1 3 357.542 3.732 20 0 FHADHO CC[C@H]1CN(C(=O)OC(C)(C)C)CCN1[C@H](C)CCC[NH+](CC)CC ZINC001167824722 948112563 /nfs/dbraw/zinc/11/25/63/948112563.db2.gz FYNACJUCYUTTLM-MSOLQXFVSA-N 1 3 355.567 3.828 20 0 FHADHO CC[NH+](CC)CCC[C@@H](C)N1C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001167833867 948238822 /nfs/dbraw/zinc/23/88/22/948238822.db2.gz FHEKKPMKWRUSMK-SQNIBIBYSA-N 1 3 355.567 3.827 20 0 FHADHO CC[NH+](CC)CCC[C@H](C)N1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001167836561 948307019 /nfs/dbraw/zinc/30/70/19/948307019.db2.gz FHEKKPMKWRUSMK-OKZBNKHCSA-N 1 3 355.567 3.827 20 0 FHADHO C[C@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000432409732 948352755 /nfs/dbraw/zinc/35/27/55/948352755.db2.gz IMBZIFBKHKNWRW-HOTGVXAUSA-N 1 3 374.447 3.779 20 0 FHADHO C[C@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000432409732 948352768 /nfs/dbraw/zinc/35/27/68/948352768.db2.gz IMBZIFBKHKNWRW-HOTGVXAUSA-N 1 3 374.447 3.779 20 0 FHADHO CC[C@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1cccc(Br)c1 ZINC000432410820 948356234 /nfs/dbraw/zinc/35/62/34/948356234.db2.gz RYUFDUWRSVSNPS-YJBOKZPZSA-N 1 3 369.347 3.991 20 0 FHADHO CC[C@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1cccc(Br)c1 ZINC000432410820 948356243 /nfs/dbraw/zinc/35/62/43/948356243.db2.gz RYUFDUWRSVSNPS-YJBOKZPZSA-N 1 3 369.347 3.991 20 0 FHADHO CC[NH+](CC)CCC[C@H](C)N1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C ZINC001167842482 948385354 /nfs/dbraw/zinc/38/53/54/948385354.db2.gz XYZUULAUCVITCR-BZSNNMDCSA-N 1 3 355.567 3.827 20 0 FHADHO CC[NH+](CC)CCC[C@@H](C)N1CCN(C[C@H](OC)c2ccccc2)CC1 ZINC001167842408 948388340 /nfs/dbraw/zinc/38/83/40/948388340.db2.gz WYICSCVBDRJIFE-IRLDBZIGSA-N 1 3 361.574 3.502 20 0 FHADHO CC[C@@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(OC(F)F)cc1 ZINC000432427533 948397480 /nfs/dbraw/zinc/39/74/80/948397480.db2.gz ZFTFBEWMFWJGEF-MAUKXSAKSA-N 1 3 356.457 3.830 20 0 FHADHO CC[C@@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(OC(F)F)cc1 ZINC000432427533 948397488 /nfs/dbraw/zinc/39/74/88/948397488.db2.gz ZFTFBEWMFWJGEF-MAUKXSAKSA-N 1 3 356.457 3.830 20 0 FHADHO COc1ccc2oc(CN3CCC(C[NH+]4C[C@H](C)O[C@@H](C)C4)CC3)cc2c1 ZINC000512176063 948656746 /nfs/dbraw/zinc/65/67/46/948656746.db2.gz AYTJPCUBYKVPIB-IRXDYDNUSA-N 1 3 372.509 3.763 20 0 FHADHO C[C@H]1C[NH+](CCCCNCc2csc(-c3ccsc3)n2)C[C@H](C)O1 ZINC000067452529 948763399 /nfs/dbraw/zinc/76/33/99/948763399.db2.gz RFXJNRPFCNVLNB-GJZGRUSLSA-N 1 3 365.568 3.851 20 0 FHADHO CCN1CCN(CCCC[NH2+][C@@H]2CCSc3cc(C)c(C)cc32)CC1 ZINC000186999556 568048002 /nfs/dbraw/zinc/04/80/02/568048002.db2.gz XZCMPSNGWNEYTN-HXUWFJFHSA-N 1 3 361.599 3.848 20 0 FHADHO CN(C)Cc1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000050030005 568664294 /nfs/dbraw/zinc/66/42/94/568664294.db2.gz MYNKEPDCXZKQCC-HXUWFJFHSA-N 1 3 351.494 3.599 20 0 FHADHO CN(C)Cc1ccccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000050030005 568664298 /nfs/dbraw/zinc/66/42/98/568664298.db2.gz MYNKEPDCXZKQCC-HXUWFJFHSA-N 1 3 351.494 3.599 20 0 FHADHO CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825435384 608550822 /nfs/dbraw/zinc/55/08/22/608550822.db2.gz WNZHKMUXGUTXSM-MRXNPFEDSA-N 1 3 364.497 3.511 20 0 FHADHO CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825435384 608550823 /nfs/dbraw/zinc/55/08/23/608550823.db2.gz WNZHKMUXGUTXSM-MRXNPFEDSA-N 1 3 364.497 3.511 20 0 FHADHO C[C@@H]1Oc2cc(F)ccc2[C@@H]1[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000579749324 927284529 /nfs/dbraw/zinc/28/45/29/927284529.db2.gz QMWIEUWBRAEQNL-KSFYIVLOSA-N 1 3 354.469 3.944 20 0 FHADHO Cc1ccc(CN(C)C)cc1NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000654858082 927434159 /nfs/dbraw/zinc/43/41/59/927434159.db2.gz ZHYCPLNAIAKPCH-HXUWFJFHSA-N 1 3 351.494 3.517 20 0 FHADHO Cc1ccc(CN(C)C)cc1NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000654858082 927434163 /nfs/dbraw/zinc/43/41/63/927434163.db2.gz ZHYCPLNAIAKPCH-HXUWFJFHSA-N 1 3 351.494 3.517 20 0 FHADHO CCCN1CCN(c2ccccc2C[NH2+]CCC[C@H]2CCCCO2)CC1 ZINC000544837269 927982045 /nfs/dbraw/zinc/98/20/45/927982045.db2.gz MGIJHAKLYYMCJF-OAQYLSRUSA-N 1 3 359.558 3.658 20 0 FHADHO CC(C)N1CCN(C2CC[NH+](Cc3ccc4c(c3)CCCC4)CC2)CC1 ZINC000430244414 928459761 /nfs/dbraw/zinc/45/97/61/928459761.db2.gz XPUOFRAFIXFKEV-UHFFFAOYSA-N 1 3 355.570 3.556 20 0 FHADHO CC(C)C[C@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1ccncc1 ZINC000647283531 937308277 /nfs/dbraw/zinc/30/82/77/937308277.db2.gz CXFFUQWRHVFWHV-QHCPKHFHSA-N 1 3 366.553 3.706 20 0 FHADHO C[C@H]1CCC[C@H]([NH+]2CCC(N[C@@H]3CCO[C@H](c4ccncc4)C3)CC2)C1 ZINC000651966528 929727785 /nfs/dbraw/zinc/72/77/85/929727785.db2.gz OXQQURKTROVXLU-XGARDCMYSA-N 1 3 357.542 3.934 20 0 FHADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](NCCN2Cc4ccccc4C2)C3)cc1 ZINC000683690410 929804550 /nfs/dbraw/zinc/80/45/50/929804550.db2.gz JWIDTRDSWPWNTD-JOZNFPNDSA-N 1 3 361.533 3.787 20 0 FHADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](NCCN2Cc4ccccc4C2)C3)cc1 ZINC000683690410 929804559 /nfs/dbraw/zinc/80/45/59/929804559.db2.gz JWIDTRDSWPWNTD-JOZNFPNDSA-N 1 3 361.533 3.787 20 0 FHADHO COc1cc(C[N@@H+]2CC[C@H](CN(C)C)C2)c(-c2ccccc2)cc1OC ZINC000125485246 930645075 /nfs/dbraw/zinc/64/50/75/930645075.db2.gz QTKNEIDOVYDDCB-QGZVFWFLSA-N 1 3 354.494 3.754 20 0 FHADHO COc1cc(C[N@H+]2CC[C@H](CN(C)C)C2)c(-c2ccccc2)cc1OC ZINC000125485246 930645080 /nfs/dbraw/zinc/64/50/80/930645080.db2.gz QTKNEIDOVYDDCB-QGZVFWFLSA-N 1 3 354.494 3.754 20 0 FHADHO CO[C@@H]1CCC[N@@H+](C[C@@H](CN2CCC[C@H](OC)CC2)c2ccccc2)CC1 ZINC000639582239 931567252 /nfs/dbraw/zinc/56/72/52/931567252.db2.gz FOYGYUDYXIWKPS-NUNAXRQHSA-N 1 3 374.569 3.772 20 0 FHADHO CO[C@@H]1CCC[N@H+](C[C@@H](CN2CCC[C@H](OC)CC2)c2ccccc2)CC1 ZINC000639582239 931567259 /nfs/dbraw/zinc/56/72/59/931567259.db2.gz FOYGYUDYXIWKPS-NUNAXRQHSA-N 1 3 374.569 3.772 20 0 FHADHO CO[C@@H]1CCCN(C[C@@H](C[N@@H+]2CCC[C@H](OC)CC2)c2ccccc2)CC1 ZINC000639582239 931567265 /nfs/dbraw/zinc/56/72/65/931567265.db2.gz FOYGYUDYXIWKPS-NUNAXRQHSA-N 1 3 374.569 3.772 20 0 FHADHO CO[C@@H]1CCCN(C[C@@H](C[N@H+]2CCC[C@H](OC)CC2)c2ccccc2)CC1 ZINC000639582239 931567273 /nfs/dbraw/zinc/56/72/73/931567273.db2.gz FOYGYUDYXIWKPS-NUNAXRQHSA-N 1 3 374.569 3.772 20 0 FHADHO CCN(CC)[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)c1ccsc1 ZINC000510367757 931655726 /nfs/dbraw/zinc/65/57/26/931655726.db2.gz TVTJBMQTMAGZTH-SJLPKXTDSA-N 1 3 351.560 3.512 20 0 FHADHO COC[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cccc(Cl)c1 ZINC000581362700 931897915 /nfs/dbraw/zinc/89/79/15/931897915.db2.gz BRCSEOMRTWUDOU-FCEWJHQRSA-N 1 3 354.922 3.507 20 0 FHADHO [NH3+]CCCOC1CCN(Cc2ccc(OCc3ccc(F)cc3)cc2)CC1 ZINC000430588620 931970260 /nfs/dbraw/zinc/97/02/60/931970260.db2.gz FKZANPJZVPJPTH-UHFFFAOYSA-N 1 3 372.484 3.735 20 0 FHADHO Cn1cc2c(n1)CCC[C@H]2[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000581458115 932091165 /nfs/dbraw/zinc/09/11/65/932091165.db2.gz BUFMTWWHFJHMHJ-TZIWHRDSSA-N 1 3 352.526 3.689 20 0 FHADHO C[C@@H](CC[NH+]1CCC2(CCCN(CC(=O)N(C)C)C2)CC1)CC(C)(C)C ZINC001279507347 932310561 /nfs/dbraw/zinc/31/05/61/932310561.db2.gz WDLBNPRAAFEHIH-IBGZPJMESA-N 1 3 365.606 3.715 20 0 FHADHO COc1ccc(OC(F)F)c(CN2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000656784592 932419060 /nfs/dbraw/zinc/41/90/60/932419060.db2.gz FWHMEOIEGZTOHK-HNNXBMFYSA-N 1 3 354.441 3.508 20 0 FHADHO COc1ccc(CN2CCC[C@@H](C3CC[NH2+]CC3)C2)c(Cl)c1OC ZINC000656784526 932419235 /nfs/dbraw/zinc/41/92/35/932419235.db2.gz DRKUHQXYRHLURB-OAHLLOKOSA-N 1 3 352.906 3.569 20 0 FHADHO COc1ccc(CN2CCC[C@H](C3CC[NH2+]CC3)C2)c(Cl)c1OC ZINC000656784522 932419272 /nfs/dbraw/zinc/41/92/72/932419272.db2.gz DRKUHQXYRHLURB-HNNXBMFYSA-N 1 3 352.906 3.569 20 0 FHADHO C[C@H]1C[C@@H](NCCN2CCc3sccc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000581844105 932731757 /nfs/dbraw/zinc/73/17/57/932731757.db2.gz UURGNVIYDKLYKP-RXVVDRJESA-N 1 3 369.578 3.749 20 0 FHADHO C[C@H]1C[C@@H](NCCN2CCc3sccc3C2)CC[N@H+]1Cc1ccccc1 ZINC000581844105 932731758 /nfs/dbraw/zinc/73/17/58/932731758.db2.gz UURGNVIYDKLYKP-RXVVDRJESA-N 1 3 369.578 3.749 20 0 FHADHO NC[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1CCCOCC(F)(F)F ZINC000471829931 933072901 /nfs/dbraw/zinc/07/29/01/933072901.db2.gz GVBXGGMBGORFHQ-MSOLQXFVSA-N 1 3 358.448 3.628 20 0 FHADHO NC[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CCCOCC(F)(F)F ZINC000471829931 933072906 /nfs/dbraw/zinc/07/29/06/933072906.db2.gz GVBXGGMBGORFHQ-MSOLQXFVSA-N 1 3 358.448 3.628 20 0 FHADHO C[C@@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2OC(F)F)CCN1C ZINC000090721357 933105719 /nfs/dbraw/zinc/10/57/19/933105719.db2.gz DUBZYVCZMMSBTC-ZWNOBZJWSA-N 1 3 363.246 3.623 20 0 FHADHO Cn1nccc1[C@H]1CCCN(CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000510646630 933343780 /nfs/dbraw/zinc/34/37/80/933343780.db2.gz RDHCEZRXKIGMQY-FQEVSTJZSA-N 1 3 354.542 3.758 20 0 FHADHO Cn1nccc1[C@H]1CCCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000510646630 933343790 /nfs/dbraw/zinc/34/37/90/933343790.db2.gz RDHCEZRXKIGMQY-FQEVSTJZSA-N 1 3 354.542 3.758 20 0 FHADHO C[C@@H](CCc1c(F)cccc1F)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000510674982 933398084 /nfs/dbraw/zinc/39/80/84/933398084.db2.gz LMGSLRXVWKAVTQ-YESZJQIVSA-N 1 3 354.485 3.765 20 0 FHADHO C[C@@H]1C[N@H+](CCCN[C@@H]2CCc3ccc(Br)cc32)CCCO1 ZINC000510960859 934227975 /nfs/dbraw/zinc/22/79/75/934227975.db2.gz KSCCOCAEHPGKLK-RDTXWAMCSA-N 1 3 367.331 3.527 20 0 FHADHO C[C@@H]1C[N@@H+](CCCN[C@@H]2CCc3ccc(Br)cc32)CCCO1 ZINC000510960859 934227983 /nfs/dbraw/zinc/22/79/83/934227983.db2.gz KSCCOCAEHPGKLK-RDTXWAMCSA-N 1 3 367.331 3.527 20 0 FHADHO CC[C@H](NC1CC[NH+](CC)CC1)c1ccc(I)cc1 ZINC000610797508 934286518 /nfs/dbraw/zinc/28/65/18/934286518.db2.gz LMIISYHHDIUUSP-INIZCTEOSA-N 1 3 372.294 3.816 20 0 FHADHO Cc1ccc([C@@H](CNC(=O)NC(C)(C)CCC[NH+](C)C)N2CCCC2)cc1 ZINC000458157473 934337631 /nfs/dbraw/zinc/33/76/31/934337631.db2.gz VBPRXGTYDKTEID-HXUWFJFHSA-N 1 3 374.573 3.552 20 0 FHADHO CCN1CCN(c2ccccc2C[NH+]2CCC(OC3CCCC3)CC2)CC1 ZINC000092758937 934662765 /nfs/dbraw/zinc/66/27/65/934662765.db2.gz FLNUEYITWDZWBN-UHFFFAOYSA-N 1 3 371.569 3.752 20 0 FHADHO CC(C)c1ccc2c(c1)[C@H]([NH2+]C1CCN([C@H]3CCC[C@@H]3O)CC1)CCCO2 ZINC000537959151 934846505 /nfs/dbraw/zinc/84/65/05/934846505.db2.gz WVHLNKSVPSCCHM-FSSWDIPSSA-N 1 3 372.553 3.991 20 0 FHADHO Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3cc([O-])cc(F)c3)CC2)c1 ZINC000472050831 934901717 /nfs/dbraw/zinc/90/17/17/934901717.db2.gz BOSZCGNNZJVXMQ-UHFFFAOYSA-N 1 3 371.500 3.532 20 0 FHADHO c1cc(CNCc2ccc(C[NH+]3CCCCC3)cc2)n(-c2ccncc2)n1 ZINC000657298071 935004298 /nfs/dbraw/zinc/00/42/98/935004298.db2.gz RJRKPIFYLZXOLQ-UHFFFAOYSA-N 1 3 361.493 3.543 20 0 FHADHO CC[NH+](CC)Cc1ccccc1CNCc1ccc(O[C@@H]2CCOC2)cc1 ZINC000657298469 935010199 /nfs/dbraw/zinc/01/01/99/935010199.db2.gz VJGXQYTWBKQRAM-HSZRJFAPSA-N 1 3 368.521 3.986 20 0 FHADHO CC[C@@H](CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccc(C)cc1 ZINC000157739629 935177434 /nfs/dbraw/zinc/17/74/34/935177434.db2.gz HHTWHIUKAREUBX-IBGZPJMESA-N 1 3 371.569 3.554 20 0 FHADHO O[C@@H](CC1CCCC1)CN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC001167554332 935389817 /nfs/dbraw/zinc/38/98/17/935389817.db2.gz NVBZDUAEWFQHSM-XZOQPEGZSA-N 1 3 356.554 3.916 20 0 FHADHO O[C@@H](CC1CCCC1)CN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001167554332 935389824 /nfs/dbraw/zinc/38/98/24/935389824.db2.gz NVBZDUAEWFQHSM-XZOQPEGZSA-N 1 3 356.554 3.916 20 0 FHADHO CC[N@H+](Cc1ccc(C(=O)NCCN(C)Cc2ccccc2)cc1)C(C)C ZINC000110146463 935565417 /nfs/dbraw/zinc/56/54/17/935565417.db2.gz MUZDOUJWKPPSDU-UHFFFAOYSA-N 1 3 367.537 3.779 20 0 FHADHO CC[N@@H+](Cc1ccc(C(=O)NCCN(C)Cc2ccccc2)cc1)C(C)C ZINC000110146463 935565422 /nfs/dbraw/zinc/56/54/22/935565422.db2.gz MUZDOUJWKPPSDU-UHFFFAOYSA-N 1 3 367.537 3.779 20 0 FHADHO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(CN3CCCCC3)c2)C[C@@H]1C ZINC000413505577 935862919 /nfs/dbraw/zinc/86/29/19/935862919.db2.gz VBCQAQBQMYXMHY-RXVVDRJESA-N 1 3 357.542 3.617 20 0 FHADHO CC[N@H+]1CC[C@H](N(C)C(=O)c2cccc(CN3CCCCC3)c2)C[C@@H]1C ZINC000413505577 935862922 /nfs/dbraw/zinc/86/29/22/935862922.db2.gz VBCQAQBQMYXMHY-RXVVDRJESA-N 1 3 357.542 3.617 20 0 FHADHO CCOC(=O)CC1CCN(CC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000507317767 945136818 /nfs/dbraw/zinc/13/68/18/945136818.db2.gz KMNMSDVWQXUBHW-UHFFFAOYSA-N 1 3 360.542 3.810 20 0 FHADHO CCOC(=O)CC1CCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000507317767 945136824 /nfs/dbraw/zinc/13/68/24/945136824.db2.gz KMNMSDVWQXUBHW-UHFFFAOYSA-N 1 3 360.542 3.810 20 0 FHADHO O[C@H]1CC[N@H+](Cc2ccc(CNCc3ccccc3C(F)(F)F)cc2)C1 ZINC000657594705 936075932 /nfs/dbraw/zinc/07/59/32/936075932.db2.gz SFOUBXZLIGMTQL-SFHVURJKSA-N 1 3 364.411 3.562 20 0 FHADHO O[C@H]1CC[N@@H+](Cc2ccc(CNCc3ccccc3C(F)(F)F)cc2)C1 ZINC000657594705 936075937 /nfs/dbraw/zinc/07/59/37/936075937.db2.gz SFOUBXZLIGMTQL-SFHVURJKSA-N 1 3 364.411 3.562 20 0 FHADHO COCCC1(C[NH2+]CC2CCN(Cc3ccncc3)CC2)CCCCC1 ZINC000657612606 936093423 /nfs/dbraw/zinc/09/34/23/936093423.db2.gz AWQQOEXYWBPBKU-UHFFFAOYSA-N 1 3 359.558 3.870 20 0 FHADHO CCC[NH+]1CCN(c2ccccc2CNCc2cc(COC)cs2)CC1 ZINC000657659349 936179091 /nfs/dbraw/zinc/17/90/91/936179091.db2.gz FUVYMTMEAOJJJG-UHFFFAOYSA-N 1 3 373.566 3.716 20 0 FHADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C[C@@H](N)c2ccccc2)C1 ZINC000237671615 936198050 /nfs/dbraw/zinc/19/80/50/936198050.db2.gz CIAWYZURMDEAKY-PGRDOPGGSA-N 1 3 365.521 3.625 20 0 FHADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C[C@@H](N)c2ccccc2)C1 ZINC000237671615 936198053 /nfs/dbraw/zinc/19/80/53/936198053.db2.gz CIAWYZURMDEAKY-PGRDOPGGSA-N 1 3 365.521 3.625 20 0 FHADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)[C@H]1C ZINC000583469775 938263987 /nfs/dbraw/zinc/26/39/87/938263987.db2.gz DLMKFZUHARBFBK-FKVLARQCSA-N 1 3 372.553 3.856 20 0 FHADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)[C@H]1C ZINC000583469777 938264068 /nfs/dbraw/zinc/26/40/68/938264068.db2.gz DLMKFZUHARBFBK-QESAQDPVSA-N 1 3 372.553 3.856 20 0 FHADHO [NH3+]CCCOC1CCN(Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000394454396 938276549 /nfs/dbraw/zinc/27/65/49/938276549.db2.gz NDQKVDDJJOIMPL-UHFFFAOYSA-N 1 3 354.494 3.595 20 0 FHADHO CN(C)Cc1cc(C[NH2+][C@@H]2CCN(C)[C@@H](c3ccccc3)C2)ccc1F ZINC000569631664 938300622 /nfs/dbraw/zinc/30/06/22/938300622.db2.gz GUAOZYHAZQOPNR-IFMALSPDSA-N 1 3 355.501 3.812 20 0 FHADHO C[NH2+]Cc1ccccc1CNCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000650719307 938307240 /nfs/dbraw/zinc/30/72/40/938307240.db2.gz KXXBEHDHJTYSCC-UHFFFAOYSA-N 1 3 374.410 3.900 20 0 FHADHO CC(C)(C)OC(=O)NC[C@H](NC1CC[NH+](C2CCCCC2)CC1)C1CC1 ZINC000161773477 938307587 /nfs/dbraw/zinc/30/75/87/938307587.db2.gz XFZVJPFMDGOYBH-IBGZPJMESA-N 1 3 365.562 3.676 20 0 FHADHO CC(C)(C)OC(=O)NC[C@H]([NH2+]C1CCN(C2CCCCC2)CC1)C1CC1 ZINC000161773477 938307588 /nfs/dbraw/zinc/30/75/88/938307588.db2.gz XFZVJPFMDGOYBH-IBGZPJMESA-N 1 3 365.562 3.676 20 0 FHADHO Cn1cnc2cc(C[NH2+]C[C@H]3CN(Cc4ccccc4)CC34CCC4)ccc21 ZINC000657771809 938309813 /nfs/dbraw/zinc/30/98/13/938309813.db2.gz GNFAJBVCSJNEBS-NRFANRHFSA-N 1 3 374.532 3.965 20 0 FHADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000650723177 938310223 /nfs/dbraw/zinc/31/02/23/938310223.db2.gz IKUWPFALWOJWHE-FCEUIQTBSA-N 1 3 369.484 3.749 20 0 FHADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)C[C@@H](N)c3ccccc3)cc2)C1 ZINC000246371935 938360757 /nfs/dbraw/zinc/36/07/57/938360757.db2.gz OCJUIOKLHPWDCR-XMSQKQJNSA-N 1 3 365.521 3.625 20 0 FHADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C[C@@H](N)c3ccccc3)cc2)C1 ZINC000246371935 938360761 /nfs/dbraw/zinc/36/07/61/938360761.db2.gz OCJUIOKLHPWDCR-XMSQKQJNSA-N 1 3 365.521 3.625 20 0 FHADHO COc1ccc(Br)c(CNCC2CC[NH+](CC3CC3)CC2)c1 ZINC000657812422 938512080 /nfs/dbraw/zinc/51/20/80/938512080.db2.gz BEHJQDKBXQISMB-UHFFFAOYSA-N 1 3 367.331 3.669 20 0 FHADHO CCC[C@@H](NCCC[NH+]1CCC(O)CC1)c1cccc(C(F)(F)F)c1 ZINC000151375962 938534790 /nfs/dbraw/zinc/53/47/90/938534790.db2.gz QRYCAWFMUYBJRV-GOSISDBHSA-N 1 3 358.448 3.983 20 0 FHADHO c1cncc([C@H]2CCCN2Cc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000685451770 938987480 /nfs/dbraw/zinc/98/74/80/938987480.db2.gz AOZCJOZVYNIQSA-JOCHJYFZSA-N 1 3 351.494 3.893 20 0 FHADHO Fc1ccccc1C1CC([NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC000658165767 939053183 /nfs/dbraw/zinc/05/31/83/939053183.db2.gz LRJXGWUWTSZPGG-UHFFFAOYSA-N 1 3 353.485 3.969 20 0 FHADHO COc1ccc(C[C@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1 ZINC000658166166 939054192 /nfs/dbraw/zinc/05/41/92/939054192.db2.gz MVXHNCFLJCKXIO-SFHVURJKSA-N 1 3 353.510 3.523 20 0 FHADHO c1cnn([C@H]2CCCC[C@H]2[NH2+][C@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)c1 ZINC000507499284 945269299 /nfs/dbraw/zinc/26/92/99/945269299.db2.gz YIQPLLOXPVGEHP-FADBTOOJSA-N 1 3 364.537 3.867 20 0 FHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(C[S@@](C)=O)cc1 ZINC000376114718 940330916 /nfs/dbraw/zinc/33/09/16/940330916.db2.gz MMTWYQSIBNSFNW-QGUBCYKSSA-N 1 3 370.562 3.565 20 0 FHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(C[S@@](C)=O)cc1 ZINC000376114718 940330921 /nfs/dbraw/zinc/33/09/21/940330921.db2.gz MMTWYQSIBNSFNW-QGUBCYKSSA-N 1 3 370.562 3.565 20 0 FHADHO Cc1ccc([C@H](CNC(=O)CC[C@@H]2CCCC[N@H+]2C)N2CCCC2)cc1 ZINC000431776927 940493374 /nfs/dbraw/zinc/49/33/74/940493374.db2.gz UZTRKBQNNDZHHB-SFTDATJTSA-N 1 3 357.542 3.513 20 0 FHADHO Cc1ccc([C@H](CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)N2CCCC2)cc1 ZINC000431776927 940493376 /nfs/dbraw/zinc/49/33/76/940493376.db2.gz UZTRKBQNNDZHHB-SFTDATJTSA-N 1 3 357.542 3.513 20 0 FHADHO Cc1ccc([C@@H](CNC(=O)CC[C@H]2CCCC[N@H+]2C)N2CCCC2)cc1 ZINC000431776925 940493501 /nfs/dbraw/zinc/49/35/01/940493501.db2.gz UZTRKBQNNDZHHB-NHCUHLMSSA-N 1 3 357.542 3.513 20 0 FHADHO Cc1ccc([C@@H](CNC(=O)CC[C@H]2CCCC[N@@H+]2C)N2CCCC2)cc1 ZINC000431776925 940493502 /nfs/dbraw/zinc/49/35/02/940493502.db2.gz UZTRKBQNNDZHHB-NHCUHLMSSA-N 1 3 357.542 3.513 20 0 FHADHO COc1ccc([C@H](C)NCc2ccccc2C[NH+]2CCC(O)CC2)c(C)c1 ZINC000414115667 940604413 /nfs/dbraw/zinc/60/44/13/940604413.db2.gz PRMYMYNMTPUZPZ-SFHVURJKSA-N 1 3 368.521 3.811 20 0 FHADHO COc1ccc([C@H](C)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c(C)c1 ZINC000414127748 940638160 /nfs/dbraw/zinc/63/81/60/940638160.db2.gz SOTRRJMLZDJPRN-JXHRLWIKSA-N 1 3 368.521 3.537 20 0 FHADHO COc1ccc([C@H](C)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)c(C)c1 ZINC000414127748 940638162 /nfs/dbraw/zinc/63/81/62/940638162.db2.gz SOTRRJMLZDJPRN-JXHRLWIKSA-N 1 3 368.521 3.537 20 0 FHADHO OC1(C[NH2+][C@@H]2CCCOc3ccccc32)CCN(Cc2ccccc2)CC1 ZINC000414292279 940910247 /nfs/dbraw/zinc/91/02/47/940910247.db2.gz AMHLNZMNUSVIJS-OAQYLSRUSA-N 1 3 366.505 3.517 20 0 FHADHO C[C@@H]([NH3+])c1ccc(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)cc1 ZINC000580067799 940991863 /nfs/dbraw/zinc/99/18/63/940991863.db2.gz JSDUGHRBYKQORC-VQIMIIECSA-N 1 3 371.550 3.971 20 0 FHADHO COc1ccc(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(OC(F)F)c1 ZINC000647544064 941066020 /nfs/dbraw/zinc/06/60/20/941066020.db2.gz VYOCZKCJTQPFEO-LSDHHAIUSA-N 1 3 354.441 3.508 20 0 FHADHO C[C@@H]1C[NH2+]C[C@H](NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000647550417 941071513 /nfs/dbraw/zinc/07/15/13/941071513.db2.gz PULLIFLSHMJKRR-XJKSGUPXSA-N 1 3 356.341 3.545 20 0 FHADHO Cc1cc(C[NH2+]C2CCN([C@@H]3CCCC[C@H]3O)CC2)ccc1C(F)(F)F ZINC000414380828 941073213 /nfs/dbraw/zinc/07/32/13/941073213.db2.gz OXBKQZMRKWGCEU-RTBURBONSA-N 1 3 370.459 3.871 20 0 FHADHO Cc1cc(C[NH2+]C2CCN(C[C@H]3CCOC3)CC2)ccc1C(F)(F)F ZINC000414388414 941081289 /nfs/dbraw/zinc/08/12/89/941081289.db2.gz CBSJCYQNOJSMDW-MRXNPFEDSA-N 1 3 356.432 3.604 20 0 FHADHO CCOC(=O)[C@H]1CC[C@H]([NH2+]CCCN2CCC(C)CC2)c2ccccc21 ZINC000549142709 941522416 /nfs/dbraw/zinc/52/24/16/941522416.db2.gz XOLCAYVUANCKCH-SFTDATJTSA-N 1 3 358.526 3.880 20 0 FHADHO [NH3+]C[C@@H]1CC[C@H](NCc2csc(COc3ccc(Cl)cc3)n2)C1 ZINC000415042591 941562698 /nfs/dbraw/zinc/56/26/98/941562698.db2.gz RCNQLPUQGZKVRI-OCCSQVGLSA-N 1 3 351.903 3.593 20 0 FHADHO CC(C)N1CC[NH+](CCCN2CC[C@@](F)(c3cccc(Cl)c3)C2)CC1 ZINC000549176990 941586879 /nfs/dbraw/zinc/58/68/79/941586879.db2.gz APUKICFBTXFMQX-FQEVSTJZSA-N 1 3 367.940 3.627 20 0 FHADHO CC(C)Oc1ccccc1CNCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000415127004 941616359 /nfs/dbraw/zinc/61/63/59/941616359.db2.gz HOVSRKKLKMGYGW-UHFFFAOYSA-N 1 3 367.537 3.557 20 0 FHADHO C[NH2+]Cc1ccccc1NC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000415913101 942147169 /nfs/dbraw/zinc/14/71/69/942147169.db2.gz OVTFLFAFNQCJHI-SFHVURJKSA-N 1 3 366.509 3.534 20 0 FHADHO CC[C@@H](c1ccc(F)cc1F)N1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000420986431 942282670 /nfs/dbraw/zinc/28/26/70/942282670.db2.gz YKEDVWQOUGDSID-NRFANRHFSA-N 1 3 365.512 3.908 20 0 FHADHO CC[C@@H](c1ccc(F)cc1F)N1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000420986431 942282674 /nfs/dbraw/zinc/28/26/74/942282674.db2.gz YKEDVWQOUGDSID-NRFANRHFSA-N 1 3 365.512 3.908 20 0 FHADHO CC[C@@H](c1ccc(F)cc1F)N1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420986431 942282676 /nfs/dbraw/zinc/28/26/76/942282676.db2.gz YKEDVWQOUGDSID-NRFANRHFSA-N 1 3 365.512 3.908 20 0 FHADHO CCN1CCC([N@@H+]2CCCN([C@@H](C)c3c(F)cccc3F)CC2)CC1 ZINC000420974340 942286763 /nfs/dbraw/zinc/28/67/63/942286763.db2.gz DIAABDLQILUBTH-INIZCTEOSA-N 1 3 351.485 3.518 20 0 FHADHO CCN1CCC([N@H+]2CCCN([C@@H](C)c3c(F)cccc3F)CC2)CC1 ZINC000420974340 942286766 /nfs/dbraw/zinc/28/67/66/942286766.db2.gz DIAABDLQILUBTH-INIZCTEOSA-N 1 3 351.485 3.518 20 0 FHADHO COc1ccc(OC)c(C[N@@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)c1 ZINC000395804028 942536773 /nfs/dbraw/zinc/53/67/73/942536773.db2.gz CDYSBMJLDIIWJH-PZJWPPBQSA-N 1 3 366.505 3.658 20 0 FHADHO COc1ccc(OC)c(C[N@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)c1 ZINC000395804028 942536775 /nfs/dbraw/zinc/53/67/75/942536775.db2.gz CDYSBMJLDIIWJH-PZJWPPBQSA-N 1 3 366.505 3.658 20 0 FHADHO CSc1ccc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)s1 ZINC000414526521 942622682 /nfs/dbraw/zinc/62/26/82/942622682.db2.gz OSMCLFLRQVKDCM-UHFFFAOYSA-N 1 3 362.564 3.587 20 0 FHADHO O=C(CCN1CCCC[C@H]1[C@@H]1CC[NH2+]C1)Nc1c(Cl)cccc1Cl ZINC000420377975 942646559 /nfs/dbraw/zinc/64/65/59/942646559.db2.gz AUYQRAZDUVQXGK-CJNGLKHVSA-N 1 3 370.324 3.786 20 0 FHADHO CC(=O)c1c(C)cc(C)c(CN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c1C ZINC000420391036 942652937 /nfs/dbraw/zinc/65/29/37/942652937.db2.gz NSJGPIAMLNXTHC-FPOVZHCZSA-N 1 3 358.526 3.533 20 0 FHADHO CC[N@H+](Cc1ccc(C(=O)NC[C@@H]2CCCCN2C2CC2)cc1)C(C)C ZINC000434420709 942663103 /nfs/dbraw/zinc/66/31/03/942663103.db2.gz RXMXAYOQTSRDLO-NRFANRHFSA-N 1 3 357.542 3.664 20 0 FHADHO CC[N@@H+](Cc1ccc(C(=O)NC[C@@H]2CCCCN2C2CC2)cc1)C(C)C ZINC000434420709 942663106 /nfs/dbraw/zinc/66/31/06/942663106.db2.gz RXMXAYOQTSRDLO-NRFANRHFSA-N 1 3 357.542 3.664 20 0 FHADHO C[C@@H]1CCN(CCC(=O)Nc2ccccc2Oc2ccccc2)C[C@@H]1C[NH3+] ZINC000420407707 942663433 /nfs/dbraw/zinc/66/34/33/942663433.db2.gz OOCOKSFWDAXBOQ-MSOLQXFVSA-N 1 3 367.493 3.724 20 0 FHADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCC[C@@H](N2CCCC2=O)CC1 ZINC000414551682 942812961 /nfs/dbraw/zinc/81/29/61/942812961.db2.gz PFZUFGSIPORLEV-OAQYLSRUSA-N 1 3 371.569 3.622 20 0 FHADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC[C@@H](N2CCCC2=O)CC1 ZINC000414551682 942812965 /nfs/dbraw/zinc/81/29/65/942812965.db2.gz PFZUFGSIPORLEV-OAQYLSRUSA-N 1 3 371.569 3.622 20 0 FHADHO OC1(CCC[NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CCC1 ZINC000421848232 942858848 /nfs/dbraw/zinc/85/88/48/942858848.db2.gz AEPQQUKEXMVYHA-YPAWHYETSA-N 1 3 356.554 3.962 20 0 FHADHO CCN(CCC[NH+](CC)CC)C(=O)c1oc2ccccc2c1CN(C)C ZINC000472995714 942875037 /nfs/dbraw/zinc/87/50/37/942875037.db2.gz BQUYROCZIXPDLZ-UHFFFAOYSA-N 1 3 359.514 3.688 20 0 FHADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)N[C@H](C[NH3+])C1CCCCC1 ZINC000414854225 942968961 /nfs/dbraw/zinc/96/89/61/942968961.db2.gz URZWZOFVYRETFD-DNVCBOLYSA-N 1 3 365.949 3.574 20 0 FHADHO C[C@H](NC(=O)c1ccc(Nc2ccncc2)cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000505573434 943057646 /nfs/dbraw/zinc/05/76/46/943057646.db2.gz BTGHUHRLRLJTBV-JTSKRJEESA-N 1 3 374.488 3.668 20 0 FHADHO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CC1(N)CCCCCC1 ZINC000414860015 943059105 /nfs/dbraw/zinc/05/91/05/943059105.db2.gz OBERVVCNFVVFJU-INIZCTEOSA-N 1 3 365.949 3.718 20 0 FHADHO Fc1ccc(CC[NH+]2CCC(NC[C@@H]3OCCc4ccccc43)CC2)cc1 ZINC000643376824 943090654 /nfs/dbraw/zinc/09/06/54/943090654.db2.gz LWXJLSRXBCBLRO-QHCPKHFHSA-N 1 3 368.496 3.736 20 0 FHADHO Cc1nc(COc2ccc(CN3C[C@H](C[NH3+])[C@@H](C)C[C@H]3C)cc2)cs1 ZINC000422560666 943181838 /nfs/dbraw/zinc/18/18/38/943181838.db2.gz HKKLLIXZAJAYDC-DAYGRLMNSA-N 1 3 359.539 3.836 20 0 FHADHO CC(C)[NH+]1CCC(N2CCN(CC[C@H]3CCc4ccccc43)CC2)CC1 ZINC000660107865 943183665 /nfs/dbraw/zinc/18/36/65/943183665.db2.gz RDQIWBCPTKPXEK-OAQYLSRUSA-N 1 3 355.570 3.597 20 0 FHADHO CC[NH+]1CCC(NCCC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000514668285 943203074 /nfs/dbraw/zinc/20/30/74/943203074.db2.gz DAFKBESKKIYDTK-UHFFFAOYSA-N 1 3 367.493 3.881 20 0 FHADHO Cc1nc(COc2ccc(C[N@H+]3CC[C@]4(CCN(C)C4)C3)cc2)cs1 ZINC000430135715 943213551 /nfs/dbraw/zinc/21/35/51/943213551.db2.gz UJKKUCFAKXNWFC-FQEVSTJZSA-N 1 3 357.523 3.558 20 0 FHADHO Cc1nc(COc2ccc(C[N@@H+]3CC[C@]4(CCN(C)C4)C3)cc2)cs1 ZINC000430135715 943213557 /nfs/dbraw/zinc/21/35/57/943213557.db2.gz UJKKUCFAKXNWFC-FQEVSTJZSA-N 1 3 357.523 3.558 20 0 FHADHO CCS[C@@H]1CCC[C@H]1NCC1(C[NH2+][C@H]2CCC[C@H]2SCC)COC1 ZINC000503517790 943229628 /nfs/dbraw/zinc/22/96/28/943229628.db2.gz SDDNCUIMJUIXGG-XMTFNYHQSA-N 1 3 372.644 3.531 20 0 FHADHO CCS[C@@H]1CCC[C@H]1[NH2+]CC1(CN[C@H]2CCC[C@H]2SCC)COC1 ZINC000503517790 943229635 /nfs/dbraw/zinc/22/96/35/943229635.db2.gz SDDNCUIMJUIXGG-XMTFNYHQSA-N 1 3 372.644 3.531 20 0 FHADHO CC[C@@H](NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422704858 943240083 /nfs/dbraw/zinc/24/00/83/943240083.db2.gz ARBIFXIMYPFWAF-MOPGFXCFSA-N 1 3 369.475 3.790 20 0 FHADHO COc1ccccc1[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)N1CCCCC1 ZINC000422706844 943241161 /nfs/dbraw/zinc/24/11/61/943241161.db2.gz GEKBCOSVEMBFCM-NMIHRBCNSA-N 1 3 371.569 3.733 20 0 FHADHO COc1ccc(C[C@H](N[C@@H]2CCC[NH2+]CC2)c2ccc(OC)cc2)cc1 ZINC000422771847 943277628 /nfs/dbraw/zinc/27/76/28/943277628.db2.gz RRFYTILEDBBHFG-KNQAVFIVSA-N 1 3 354.494 3.719 20 0 FHADHO c1ccc2c(c1)cccc2CSCCN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422765032 943284942 /nfs/dbraw/zinc/28/49/42/943284942.db2.gz PYLKVNXOBHBVGN-FDFHNCONSA-N 1 3 370.562 3.820 20 0 FHADHO CO[C@H](CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(Cl)cc1 ZINC000422795080 943285702 /nfs/dbraw/zinc/28/57/02/943285702.db2.gz ZPTKTPBREHUYED-NRSPTQNISA-N 1 3 372.896 3.873 20 0 FHADHO C[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)Oc1cccc(Br)c1 ZINC000422799554 943288059 /nfs/dbraw/zinc/28/80/59/943288059.db2.gz XFVMQOXONMSJFK-BVPBIZIASA-N 1 3 367.331 3.727 20 0 FHADHO OC[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)Cc1c(F)cccc1Cl ZINC000422799299 943288143 /nfs/dbraw/zinc/28/81/43/943288143.db2.gz WBJGIDHIKPCWRP-IDENBPMYSA-N 1 3 368.924 3.531 20 0 FHADHO COc1ccc(Cl)cc1NC(=O)CCN[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000422830655 943298992 /nfs/dbraw/zinc/29/89/92/943298992.db2.gz WAPMBPLCCAPXQT-GOEBONIOSA-N 1 3 367.921 3.578 20 0 FHADHO C[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)Oc1ccccc1Br ZINC000422837978 943301090 /nfs/dbraw/zinc/30/10/90/943301090.db2.gz NJAMLHAPYUKBNM-YALNPMBYSA-N 1 3 367.331 3.727 20 0 FHADHO COc1ccc(CCN[C@@H](C)C[C@H]2CCCCC[NH2+]2)cc1OC(F)F ZINC000422878860 943314230 /nfs/dbraw/zinc/31/42/30/943314230.db2.gz KYPDNHSSVZFBHZ-GOEBONIOSA-N 1 3 356.457 3.740 20 0 FHADHO COc1ccc(CCN[C@H](C)C[C@H]2CCCCC[NH2+]2)cc1OC(F)F ZINC000422878859 943314491 /nfs/dbraw/zinc/31/44/91/943314491.db2.gz KYPDNHSSVZFBHZ-GDBMZVCRSA-N 1 3 356.457 3.740 20 0 FHADHO Cc1cc(C)n(-c2ccccc2CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)n1 ZINC000422890361 943319801 /nfs/dbraw/zinc/31/98/01/943319801.db2.gz RTFCCJMLSMBUTN-NJDAHSKKSA-N 1 3 352.526 3.890 20 0 FHADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCc1nc2ccccc2n1C(F)F ZINC000422906960 943326704 /nfs/dbraw/zinc/32/67/04/943326704.db2.gz ANTFAZQWVMYKBW-YOEHRIQHSA-N 1 3 358.436 3.522 20 0 FHADHO COC[C@H](CCC[NH3+])NCc1ccc(-c2ccc(Cl)cc2)cc1F ZINC000422925583 943334049 /nfs/dbraw/zinc/33/40/49/943334049.db2.gz BDRJVOTXLCSPGC-SFHVURJKSA-N 1 3 350.865 3.990 20 0 FHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCc1ccccc1OC(F)(F)F ZINC000422927750 943334485 /nfs/dbraw/zinc/33/44/85/943334485.db2.gz GYWZNHYXWFZNKC-GFCCVEGCSA-N 1 3 353.388 3.641 20 0 FHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H](C)Cc1ccccc1Br ZINC000422928807 943334800 /nfs/dbraw/zinc/33/48/00/943334800.db2.gz MSMBPVTZFLSSSX-QWHCGFSZSA-N 1 3 362.315 3.893 20 0 FHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC1(c2ccc(Cl)cc2)CCOCC1 ZINC000422944020 943340867 /nfs/dbraw/zinc/34/08/67/943340867.db2.gz LYSJCYRQOBNYAB-OAHLLOKOSA-N 1 3 373.928 3.901 20 0 FHADHO CCN(CC)[C@@H](CNC(=O)CC[C@H]1CCCC[N@@H+]1C)c1ccsc1 ZINC000431922374 943346800 /nfs/dbraw/zinc/34/68/00/943346800.db2.gz KSNFJGYSYPVYET-MSOLQXFVSA-N 1 3 351.560 3.512 20 0 FHADHO CCN(CC)[C@@H](CNC(=O)CC[C@H]1CCCC[N@H+]1C)c1ccsc1 ZINC000431922374 943346806 /nfs/dbraw/zinc/34/68/06/943346806.db2.gz KSNFJGYSYPVYET-MSOLQXFVSA-N 1 3 351.560 3.512 20 0 FHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC1(c2ccccc2Cl)CCOCC1 ZINC000422959652 943350910 /nfs/dbraw/zinc/35/09/10/943350910.db2.gz TUKIIRWAOITTBW-OAHLLOKOSA-N 1 3 373.928 3.901 20 0 FHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423017678 943365728 /nfs/dbraw/zinc/36/57/28/943365728.db2.gz PJGGTFLOQNZZQS-GESALYCCSA-N 1 3 363.864 3.822 20 0 FHADHO N[C@H]1CCC[C@@H]1[NH2+]CCOc1c(Cl)cc(Br)cc1Cl ZINC000423022828 943369537 /nfs/dbraw/zinc/36/95/37/943369537.db2.gz FZRHSUXOOHWYOM-RYUDHWBXSA-N 1 3 368.102 3.604 20 0 FHADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCCc1nc(-c2ccc(F)cc2)no1 ZINC000423026658 943370996 /nfs/dbraw/zinc/37/09/96/943370996.db2.gz BUBCDJATCLZCGR-QAPCUYQASA-N 1 3 360.477 3.709 20 0 FHADHO C[C@@H]([NH3+])C[C@@H](C)NCCOc1ccc(Br)cc1C(F)(F)F ZINC000423030787 943371491 /nfs/dbraw/zinc/37/14/91/943371491.db2.gz WHQZASZUVFNDNP-NXEZZACHSA-N 1 3 369.225 3.562 20 0 FHADHO C[C@H]([NH3+])C[C@H](C)NCCOc1ccc(Br)cc1C(F)(F)F ZINC000423030789 943371533 /nfs/dbraw/zinc/37/15/33/943371533.db2.gz WHQZASZUVFNDNP-UWVGGRQHSA-N 1 3 369.225 3.562 20 0 FHADHO CO[C@H](c1ccccc1F)[C@H](C)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423033136 943372288 /nfs/dbraw/zinc/37/22/88/943372288.db2.gz WTCQNGZFQDGEPA-IOYVRGJCSA-N 1 3 370.468 3.747 20 0 FHADHO C[C@@H]1CC[NH2+]C[C@@H]1NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000423036499 943372978 /nfs/dbraw/zinc/37/29/78/943372978.db2.gz UEUNSZRWQFXSGR-ACJLOTCBSA-N 1 3 356.341 3.545 20 0 FHADHO C[C@H]([NH3+])C[C@H](C)NC[C@@H](c1ccc(Cl)cc1)N(C)CCC(F)(F)F ZINC000423097094 943392934 /nfs/dbraw/zinc/39/29/34/943392934.db2.gz AHHDHWPBNWAFLK-XEZPLFJOSA-N 1 3 365.871 3.981 20 0 FHADHO OCC[C@@H]([NH2+]C1CCN(CC2CC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000582102960 943397503 /nfs/dbraw/zinc/39/75/03/943397503.db2.gz HZZUZMBXPLKWPQ-GOSISDBHSA-N 1 3 356.432 3.593 20 0 FHADHO CSc1ccc([C@@H](C[NH2+][C@H](C)c2ccc(CN)nc2C)N(C)C)cc1 ZINC000423144751 943406513 /nfs/dbraw/zinc/40/65/13/943406513.db2.gz HVJXEPYSEOMDBB-JLTOFOAXSA-N 1 3 358.555 3.524 20 0 FHADHO Cc1ccc(Oc2ccccc2CCN[C@@H]2CCOC[C@H]2[C@H](C)[NH3+])cc1 ZINC000423173424 943426072 /nfs/dbraw/zinc/42/60/72/943426072.db2.gz YNYVIKXFPDIMHA-DZFGPLHGSA-N 1 3 354.494 3.672 20 0 FHADHO C[C@@H](NCCCN1CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1Cl ZINC000423179298 943428226 /nfs/dbraw/zinc/42/82/26/943428226.db2.gz LTLIMJFTYRQBHN-LLVKDONJSA-N 1 3 350.721 3.593 20 0 FHADHO CC(C)N(CC(=O)Nc1ccccc1C(F)(F)F)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414727423 943457376 /nfs/dbraw/zinc/45/73/76/943457376.db2.gz BCMZHDJBPSMHFG-HUUCEWRRSA-N 1 3 371.447 3.742 20 0 FHADHO CO[C@@H](c1ccccc1)[C@@H](C)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423465318 943523250 /nfs/dbraw/zinc/52/32/50/943523250.db2.gz HRJYGTMBLXGIHW-DGEVVOEJSA-N 1 3 356.485 3.885 20 0 FHADHO COC(=O)CCC[C@H]1CCC[C@H]([NH2+]CC2(N)C3CC4CC(C3)CC2C4)C1 ZINC000423529904 943538682 /nfs/dbraw/zinc/53/86/82/943538682.db2.gz QMLJJYCCVAHONT-OOZNNRCISA-N 1 3 362.558 3.632 20 0 FHADHO NC1(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)C2CC3CC(C2)CC1C3 ZINC000423531327 943539400 /nfs/dbraw/zinc/53/94/00/943539400.db2.gz SKMSKVYIQQTNOZ-ADCGCKIBSA-N 1 3 354.538 3.898 20 0 FHADHO CC[C@H](NCC1([NH3+])CCN(Cc2ccccc2)CC1)c1ccc(F)cc1F ZINC000423574339 943561030 /nfs/dbraw/zinc/56/10/30/943561030.db2.gz PIYQEGCMAYKGJV-NRFANRHFSA-N 1 3 373.491 3.999 20 0 FHADHO CN(C)Cc1cccc(NC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)c1 ZINC000435730453 943573829 /nfs/dbraw/zinc/57/38/29/943573829.db2.gz HBLIFUBBHFJRHT-HXUWFJFHSA-N 1 3 358.530 3.667 20 0 FHADHO CN(C)Cc1cccc(NC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)c1 ZINC000435730453 943573836 /nfs/dbraw/zinc/57/38/36/943573836.db2.gz HBLIFUBBHFJRHT-HXUWFJFHSA-N 1 3 358.530 3.667 20 0 FHADHO COCC[N@H+](C)CCCC1CCN(Cc2ccc(C(F)F)nc2)CC1 ZINC000638131541 943604056 /nfs/dbraw/zinc/60/40/56/943604056.db2.gz KKVOOCBHJFRKCO-UHFFFAOYSA-N 1 3 355.473 3.590 20 0 FHADHO COCC[N@@H+](C)CCCC1CCN(Cc2ccc(C(F)F)nc2)CC1 ZINC000638131541 943604062 /nfs/dbraw/zinc/60/40/62/943604062.db2.gz KKVOOCBHJFRKCO-UHFFFAOYSA-N 1 3 355.473 3.590 20 0 FHADHO OC[C@H](CNC1CC[NH+](CCc2ccccc2)CC1)c1ccccc1Cl ZINC000584831325 943710114 /nfs/dbraw/zinc/71/01/14/943710114.db2.gz PFLGOAFYBROZDA-IBGZPJMESA-N 1 3 372.940 3.713 20 0 FHADHO [NH3+]C[C@@H]1CN(Cc2ccc(-c3cccc(F)c3)s2)CC12CCOCC2 ZINC000414778892 943793413 /nfs/dbraw/zinc/79/34/13/943793413.db2.gz JNANTHATRQNFIQ-MRXNPFEDSA-N 1 3 360.498 3.742 20 0 FHADHO COc1cccc(C[C@H](C)[NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)n1 ZINC000584869022 943821655 /nfs/dbraw/zinc/82/16/55/943821655.db2.gz RXCCSBUKWNIQEM-FPOVZHCZSA-N 1 3 367.537 3.913 20 0 FHADHO CCOc1cccc(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1OC(F)F ZINC000414782762 943844769 /nfs/dbraw/zinc/84/47/69/943844769.db2.gz OUHOEWRCMUYSOU-GJZGRUSLSA-N 1 3 354.441 3.508 20 0 FHADHO C[C@@H]1CN(CCCC[NH2+][C@@H](Cc2ccncc2)c2cccs2)C[C@@H](C)O1 ZINC000424306230 943853123 /nfs/dbraw/zinc/85/31/23/943853123.db2.gz USOSHOLRBXGFFT-GGPKGHCWSA-N 1 3 373.566 3.906 20 0 FHADHO CCN(C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)[C@@H]1CCCC[C@@H]1C ZINC000516979988 943881368 /nfs/dbraw/zinc/88/13/68/943881368.db2.gz UGEFMJBHTYNYIS-GHTZIAJQSA-N 1 3 363.590 3.610 20 0 FHADHO CCOc1cccc(CN2CC3(C[C@@H]2C)CC[NH2+]CC3)c1OC(F)F ZINC000424374317 943884063 /nfs/dbraw/zinc/88/40/63/943884063.db2.gz IFPVFEIIJUIWTI-AWEZNQCLSA-N 1 3 354.441 3.651 20 0 FHADHO Cc1cc(C[NH3+])cc(NC(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000424436714 943928715 /nfs/dbraw/zinc/92/87/15/943928715.db2.gz MTFUQBSIYUWSNQ-NRFANRHFSA-N 1 3 366.509 3.582 20 0 FHADHO Cc1cc(C[NH3+])cc(NC(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)c1 ZINC000424435090 943929109 /nfs/dbraw/zinc/92/91/09/943929109.db2.gz KRAKJWANALLKRV-SFHVURJKSA-N 1 3 366.509 3.582 20 0 FHADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1ccc(OC(F)F)c(Br)c1 ZINC000414792438 943947133 /nfs/dbraw/zinc/94/71/33/943947133.db2.gz CIEOKAPFJUAZCT-DGCLKSJQSA-N 1 3 363.246 3.658 20 0 FHADHO C[C@@H](COc1ccc2cc(Br)ccc2c1)[NH2+]CC(C)(C)N ZINC000414811725 944082030 /nfs/dbraw/zinc/08/20/30/944082030.db2.gz ZXLZIOMGZREPGC-LBPRGKRZSA-N 1 3 351.288 3.697 20 0 FHADHO COc1cc(CN[C@@H]2CCCC[C@@H]2C[NH3+])ccc1OCc1cccs1 ZINC000414814965 944121951 /nfs/dbraw/zinc/12/19/51/944121951.db2.gz ZQAKBCGYHJFVNK-SJLPKXTDSA-N 1 3 360.523 3.943 20 0 FHADHO C[C@H](C[NH2+][C@@H](C)c1ccc(OC[C@H]2CCCCO2)c(F)c1)CN(C)C ZINC000425920212 944173410 /nfs/dbraw/zinc/17/34/10/944173410.db2.gz JYFYUZAXWLSWDP-SOLBZPMBSA-N 1 3 352.494 3.622 20 0 FHADHO C[C@H](COc1ccc2cc(Br)ccc2c1)[NH2+]C[C@H](N)C1CC1 ZINC000414882040 944221912 /nfs/dbraw/zinc/22/19/12/944221912.db2.gz BJIYYFRKBLVDJS-XIKOKIGWSA-N 1 3 363.299 3.697 20 0 FHADHO COc1ccc(CN(C)C)cc1NC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000515851445 944274550 /nfs/dbraw/zinc/27/45/50/944274550.db2.gz PDNHPQKBEBPAOA-SFHVURJKSA-N 1 3 361.530 3.773 20 0 FHADHO CC(C)c1nnc(CCN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)s1 ZINC000426300206 944397503 /nfs/dbraw/zinc/39/75/03/944397503.db2.gz CULWSTPKWYPPLS-GUDVDZBRSA-N 1 3 370.566 3.704 20 0 FHADHO CC(C)c1nnc(CCN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)s1 ZINC000426300206 944397506 /nfs/dbraw/zinc/39/75/06/944397506.db2.gz CULWSTPKWYPPLS-GUDVDZBRSA-N 1 3 370.566 3.704 20 0 FHADHO CC(C)c1nnc(CC[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)s1 ZINC000426300206 944397514 /nfs/dbraw/zinc/39/75/14/944397514.db2.gz CULWSTPKWYPPLS-GUDVDZBRSA-N 1 3 370.566 3.704 20 0 FHADHO COc1ccc([C@H]2CC[NH2+]C[C@H]2NCCCCOc2ccccc2)cc1 ZINC000414887544 944439720 /nfs/dbraw/zinc/43/97/20/944439720.db2.gz QREVRCCPMHAVPZ-FGZHOGPDSA-N 1 3 354.494 3.590 20 0 FHADHO CCCCN1CCC([NH2+]Cc2cccc(I)c2)CC1 ZINC000388422028 944510215 /nfs/dbraw/zinc/51/02/15/944510215.db2.gz QJNAOCMZLVQFMO-UHFFFAOYSA-N 1 3 372.294 3.645 20 0 FHADHO Cc1cccc(CCN(C)[C@H]2CCC[N@H+](CCc3cccc(C)n3)CC2)n1 ZINC000516283933 944688548 /nfs/dbraw/zinc/68/85/48/944688548.db2.gz RODNRIXFONAAGL-QHCPKHFHSA-N 1 3 366.553 3.665 20 0 FHADHO Cc1cccc(CCN(C)[C@H]2CCC[N@@H+](CCc3cccc(C)n3)CC2)n1 ZINC000516283933 944688553 /nfs/dbraw/zinc/68/85/53/944688553.db2.gz RODNRIXFONAAGL-QHCPKHFHSA-N 1 3 366.553 3.665 20 0 FHADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1cccc(CN2CCCC2)c1 ZINC000516397494 944794654 /nfs/dbraw/zinc/79/46/54/944794654.db2.gz JRSXUCSNUORWLI-LJQANCHMSA-N 1 3 357.542 3.667 20 0 FHADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1cccc(CN2CCCC2)c1 ZINC000516397494 944794663 /nfs/dbraw/zinc/79/46/63/944794663.db2.gz JRSXUCSNUORWLI-LJQANCHMSA-N 1 3 357.542 3.667 20 0 FHADHO C[C@H](COc1ccc2cc(Br)ccc2c1)[NH2+][C@@H](C)[C@H](C)N ZINC000415004899 944990409 /nfs/dbraw/zinc/99/04/09/944990409.db2.gz AIPZWEUJFGXVLX-AGIUHOORSA-N 1 3 351.288 3.695 20 0 FHADHO C[C@@H](CCc1ccccc1)[NH+]1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000519498368 945490897 /nfs/dbraw/zinc/49/08/97/945490897.db2.gz FJLCXKUWAIUYEC-QFIPXVFZSA-N 1 3 365.565 3.757 20 0 FHADHO Cc1nn(C(C)C)cc1CN[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000281271394 945577823 /nfs/dbraw/zinc/57/78/23/945577823.db2.gz HLXCXGQGIJWQLN-QGZVFWFLSA-N 1 3 373.520 3.514 20 0 FHADHO CCc1ccc([C@H](CNC(=O)Nc2cccc(C[NH+](C)C)c2)N(C)C)cc1 ZINC000044292018 945586030 /nfs/dbraw/zinc/58/60/30/945586030.db2.gz HJHAMTGBVDRBGS-NRFANRHFSA-N 1 3 368.525 3.735 20 0 FHADHO COCC[NH+]1CCC(NCc2ccc(Oc3cccc(F)c3)cc2)CC1 ZINC000443978300 945592798 /nfs/dbraw/zinc/59/27/98/945592798.db2.gz HEDZESSWLCPBPQ-UHFFFAOYSA-N 1 3 358.457 3.818 20 0 FHADHO CCC[NH+]1CCC(N(C)CCC(=O)Nc2ccc(Cl)cc2F)CC1 ZINC000111241070 945864179 /nfs/dbraw/zinc/86/41/79/945864179.db2.gz JPIAZIVSPXJOMG-UHFFFAOYSA-N 1 3 355.885 3.614 20 0 FHADHO CCCc1cc(N2CCC(CN3CCOCC3)CC2)c2ccccc2[nH+]1 ZINC000301777597 945961397 /nfs/dbraw/zinc/96/13/97/945961397.db2.gz HHKPUCUBDMGYIW-UHFFFAOYSA-N 1 3 353.510 3.736 20 0 FHADHO CC[NH+]1CCC(N2CCC(C(=O)N3c4ccccc4CC[C@H]3C)CC2)CC1 ZINC000665580257 946182014 /nfs/dbraw/zinc/18/20/14/946182014.db2.gz SUIUQFQBLJEPDU-GOSISDBHSA-N 1 3 369.553 3.551 20 0 FHADHO Cc1cccc(N2CCN(CCCC[NH2+]Cc3ccc(Cl)o3)CC2)c1 ZINC000520208748 946270904 /nfs/dbraw/zinc/27/09/04/946270904.db2.gz HRJPHSSGSZWSID-UHFFFAOYSA-N 1 3 361.917 3.933 20 0 FHADHO Cc1cccc(N2CC[NH+](CCCCNCc3ccc(Cl)o3)CC2)c1 ZINC000520208748 946270908 /nfs/dbraw/zinc/27/09/08/946270908.db2.gz HRJPHSSGSZWSID-UHFFFAOYSA-N 1 3 361.917 3.933 20 0 FHADHO CC[C@H]([NH2+]C[C@@H]1CCCN(C(C)C)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652150118 946383617 /nfs/dbraw/zinc/38/36/17/946383617.db2.gz MHQQAHGCSSDQMI-WMZOPIPTSA-N 1 3 364.530 3.874 20 0 FHADHO CCC[NH+]1CCN(c2ccccc2CNc2nccn2CC(C)C)CC1 ZINC000508487057 946456892 /nfs/dbraw/zinc/45/68/92/946456892.db2.gz FWQLHNUUSKLGQZ-UHFFFAOYSA-N 1 3 355.530 3.683 20 0 FHADHO CCN1CCN(c2ccccc2C[NH2+]CC2(C)CCC(OC)CC2)CC1 ZINC000475206270 946719979 /nfs/dbraw/zinc/71/99/79/946719979.db2.gz BVXAKCMCFGBLQD-UHFFFAOYSA-N 1 3 359.558 3.513 20 0 FHADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475288371 946826693 /nfs/dbraw/zinc/82/66/93/946826693.db2.gz SKTHXLPDFIGIPW-QDSKXPNFSA-N 1 3 363.549 3.619 20 0 FHADHO CC[NH+](CC)CCCC1CCN(CC(=O)N2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000543875282 946976304 /nfs/dbraw/zinc/97/63/04/946976304.db2.gz RODQLPHNPKJTFD-OALUTQOASA-N 1 3 351.579 3.610 20 0 FHADHO Cc1cc(NC(=O)C(C[C@@H]2CCCO2)C(F)(F)F)ccc1C[NH+](C)C ZINC000652435585 947113409 /nfs/dbraw/zinc/11/34/09/947113409.db2.gz TTYATQVIDVCDNF-JKSUJKDBSA-N 1 3 358.404 3.743 20 0 FHADHO CC[NH2+]Cc1ccccc1NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000124572375 947119952 /nfs/dbraw/zinc/11/99/52/947119952.db2.gz SDIUQDRBYDTRPA-LJQANCHMSA-N 1 3 369.484 3.786 20 0 FHADHO CC[C@H]1C[N@H+](CCCN2CCN(C(C)C)CC2)CC[C@@H]1c1ccccc1 ZINC000192987704 947134092 /nfs/dbraw/zinc/13/40/92/947134092.db2.gz MAZOTSFICWMWLD-GMAHTHKFSA-N 1 3 357.586 3.918 20 0 FHADHO CC[C@H]1C[N@@H+](CCCN2CCN(C(C)C)CC2)CC[C@@H]1c1ccccc1 ZINC000192987704 947134097 /nfs/dbraw/zinc/13/40/97/947134097.db2.gz MAZOTSFICWMWLD-GMAHTHKFSA-N 1 3 357.586 3.918 20 0 FHADHO Cc1ccc(Cl)cc1NC(=O)[C@H](C)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662298450 947721275 /nfs/dbraw/zinc/72/12/75/947721275.db2.gz WEKFSKVIMJGHDA-DOTOQJQBSA-N 1 3 363.933 3.687 20 0 FHADHO CC[NH+](CC)CCOc1ccc(NC(=O)C[C@H]2NCc3ccccc32)cc1 ZINC000662378307 947773705 /nfs/dbraw/zinc/77/37/05/947773705.db2.gz LVKGKOSCIGWHEO-OAQYLSRUSA-N 1 3 367.493 3.580 20 0 FHADHO CCN(C(=O)c1cccc2c1CNC2)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000662503450 947873510 /nfs/dbraw/zinc/87/35/10/947873510.db2.gz UISGBFOBUSEULT-FXAWDEMLSA-N 1 3 363.505 3.587 20 0 FHADHO CCN(C(=O)c1cccc2c1CNC2)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000662503450 947873515 /nfs/dbraw/zinc/87/35/15/947873515.db2.gz UISGBFOBUSEULT-FXAWDEMLSA-N 1 3 363.505 3.587 20 0 FHADHO CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663469844 948065138 /nfs/dbraw/zinc/06/51/38/948065138.db2.gz REACMSBMBVQBIB-VQTJNVASSA-N 1 3 360.542 3.737 20 0 FHADHO CC[NH+](CC)CCC[C@H](C)N1[C@H](C)CN(C(=O)OC(C)(C)C)C[C@H]1C ZINC001167839558 948320334 /nfs/dbraw/zinc/32/03/34/948320334.db2.gz ABZZMEALOQJZLP-RCCFBDPRSA-N 1 3 355.567 3.827 20 0 FHADHO COc1cc([C@@H](C)NCCC[N@@H+]2CCCO[C@@H](C)C2)ccc1SC ZINC000432412368 948358553 /nfs/dbraw/zinc/35/85/53/948358553.db2.gz BPTZOLUHGXQIEJ-JKSUJKDBSA-N 1 3 352.544 3.569 20 0 FHADHO COc1cc([C@@H](C)NCCC[N@H+]2CCCO[C@@H](C)C2)ccc1SC ZINC000432412368 948358559 /nfs/dbraw/zinc/35/85/59/948358559.db2.gz BPTZOLUHGXQIEJ-JKSUJKDBSA-N 1 3 352.544 3.569 20 0 FHADHO C[C@@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(-c2ccncc2)cc1 ZINC000432412108 948360158 /nfs/dbraw/zinc/36/01/58/948360158.db2.gz AGSYEOLVKZYVOU-RTBURBONSA-N 1 3 353.510 3.900 20 0 FHADHO C[C@@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1ccc(-c2ccncc2)cc1 ZINC000432412108 948360166 /nfs/dbraw/zinc/36/01/66/948360166.db2.gz AGSYEOLVKZYVOU-RTBURBONSA-N 1 3 353.510 3.900 20 0 FHADHO C[C@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1cccc(Br)c1 ZINC000432411311 948362794 /nfs/dbraw/zinc/36/27/94/948362794.db2.gz XFLNFQMIXARMRH-CABCVRRESA-N 1 3 355.320 3.601 20 0 FHADHO C[C@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1cccc(Br)c1 ZINC000432411311 948362798 /nfs/dbraw/zinc/36/27/98/948362798.db2.gz XFLNFQMIXARMRH-CABCVRRESA-N 1 3 355.320 3.601 20 0 FHADHO CC[C@@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(Br)cc1 ZINC000432414215 948367104 /nfs/dbraw/zinc/36/71/04/948367104.db2.gz JWBSKYANUOGHCC-MAUKXSAKSA-N 1 3 369.347 3.991 20 0 FHADHO CC[C@@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(Br)cc1 ZINC000432414215 948367111 /nfs/dbraw/zinc/36/71/11/948367111.db2.gz JWBSKYANUOGHCC-MAUKXSAKSA-N 1 3 369.347 3.991 20 0 FHADHO CCN(CC)C(=O)Nc1ccc([C@@H](C)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000152367367 948386336 /nfs/dbraw/zinc/38/63/36/948386336.db2.gz WLXXRQMITUKXHR-IAGOWNOFSA-N 1 3 358.530 3.695 20 0 FHADHO CCN(CC)C(=O)Nc1ccc([C@@H](C)NC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000152367367 948386342 /nfs/dbraw/zinc/38/63/42/948386342.db2.gz WLXXRQMITUKXHR-IAGOWNOFSA-N 1 3 358.530 3.695 20 0 FHADHO CC[C@@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(OC(F)F)cc1 ZINC000432427532 948398037 /nfs/dbraw/zinc/39/80/37/948398037.db2.gz ZFTFBEWMFWJGEF-CRAIPNDOSA-N 1 3 356.457 3.830 20 0 FHADHO CC[C@@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1ccc(OC(F)F)cc1 ZINC000432427532 948398045 /nfs/dbraw/zinc/39/80/45/948398045.db2.gz ZFTFBEWMFWJGEF-CRAIPNDOSA-N 1 3 356.457 3.830 20 0 FHADHO C[C@H](NCc1cccc(C[NH+]2CCCC2)c1)c1ccc([S@](C)=O)cc1 ZINC000123042691 937113924 /nfs/dbraw/zinc/11/39/24/937113924.db2.gz LANZHMPRKVIGDT-SSOJOUAXSA-N 1 3 356.535 3.871 20 0 FHADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(Cc3cnc(-c4ccccc4)s3)CC2)C1 ZINC000583131512 937153102 /nfs/dbraw/zinc/15/31/02/937153102.db2.gz PVQOVNJIXDWLOG-IEBWSBKVSA-N 1 3 357.523 3.528 20 0 FHADHO C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643547178 927458333 /nfs/dbraw/zinc/45/83/33/927458333.db2.gz AQQZJAFYNLQNNA-DOMZBBRYSA-N 1 3 355.295 3.784 20 0 FHADHO C[C@H](Cc1ccc(F)cc1Br)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643547178 927458342 /nfs/dbraw/zinc/45/83/42/927458342.db2.gz AQQZJAFYNLQNNA-DOMZBBRYSA-N 1 3 355.295 3.784 20 0 FHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@H]3C(C)(C)CC)CC2)CC1 ZINC000654939140 927628979 /nfs/dbraw/zinc/62/89/79/927628979.db2.gz WHWLTDYHOKCUFR-FQEVSTJZSA-N 1 3 363.590 3.610 20 0 FHADHO OC[C@H]1CCC[N@@H+]1CCCCNC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000180515751 929536159 /nfs/dbraw/zinc/53/61/59/929536159.db2.gz JLCSZGMNMIYMPW-OAQYLSRUSA-N 1 3 374.475 3.881 20 0 FHADHO OC[C@H]1CCC[N@H+]1CCCCNC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000180515751 929536167 /nfs/dbraw/zinc/53/61/67/929536167.db2.gz JLCSZGMNMIYMPW-OAQYLSRUSA-N 1 3 374.475 3.881 20 0 FHADHO CCCN1CCC([NH2+][C@H]2CCN(CC)[C@@H]2c2cc(F)c(F)c(F)c2)CC1 ZINC000123694225 930095458 /nfs/dbraw/zinc/09/54/58/930095458.db2.gz WWZMNWBFZVNBBQ-AZUAARDMSA-N 1 3 369.475 3.703 20 0 FHADHO COc1ccc(C[N@@H+]2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)cc1OC ZINC000312838268 930641446 /nfs/dbraw/zinc/64/14/46/930641446.db2.gz DZSSXLSVQAQJJW-RTWAWAEBSA-N 1 3 366.505 3.658 20 0 FHADHO COc1ccc(C[N@H+]2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)cc1OC ZINC000312838268 930641453 /nfs/dbraw/zinc/64/14/53/930641453.db2.gz DZSSXLSVQAQJJW-RTWAWAEBSA-N 1 3 366.505 3.658 20 0 FHADHO COc1cc(C[N@@H+]2CC[C@@H](CN(C)C)C2)c(-c2ccccc2)cc1OC ZINC000125485010 930644957 /nfs/dbraw/zinc/64/49/57/930644957.db2.gz QTKNEIDOVYDDCB-KRWDZBQOSA-N 1 3 354.494 3.754 20 0 FHADHO COc1cc(C[N@H+]2CC[C@@H](CN(C)C)C2)c(-c2ccccc2)cc1OC ZINC000125485010 930644961 /nfs/dbraw/zinc/64/49/61/930644961.db2.gz QTKNEIDOVYDDCB-KRWDZBQOSA-N 1 3 354.494 3.754 20 0 FHADHO C[C@H](NCCOc1ccc2cc(Br)ccc2c1)[C@@H]1CC[NH2+]C1 ZINC000564825597 930682859 /nfs/dbraw/zinc/68/28/59/930682859.db2.gz VNMYCOBIDBSTMS-XJKSGUPXSA-N 1 3 363.299 3.569 20 0 FHADHO Cc1ccc(-c2ncc(CN3CCC(OCC[NH+](C)C)CC3)s2)cc1C ZINC000656251544 930858128 /nfs/dbraw/zinc/85/81/28/930858128.db2.gz IJDQOVNYVPJAMG-UHFFFAOYSA-N 1 3 373.566 3.970 20 0 FHADHO COc1ccc(OC)c([C@@H]2CCCN2Cc2ccc3c(c2)C[NH2+]CC3)c1 ZINC000580573961 930867771 /nfs/dbraw/zinc/86/77/71/930867771.db2.gz UXGYUSWBIWCXAH-NRFANRHFSA-N 1 3 352.478 3.687 20 0 FHADHO CCOC(=O)N1CCC([C@H](C)[NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000187700292 931438590 /nfs/dbraw/zinc/43/85/90/931438590.db2.gz XZHKEQOHMHITKR-KRWDZBQOSA-N 1 3 365.562 3.630 20 0 FHADHO C[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000090715183 931576734 /nfs/dbraw/zinc/57/67/34/931576734.db2.gz JTBPSXWGDPEAOH-MRXNPFEDSA-N 1 3 353.551 3.534 20 0 FHADHO Brc1ccc(CN2CCC([C@H]3CC[NH2+]C3)CC2)c2ncccc12 ZINC000581191399 931651439 /nfs/dbraw/zinc/65/14/39/931651439.db2.gz ZEWICWLMECXPCQ-HNNXBMFYSA-N 1 3 374.326 3.819 20 0 FHADHO CC[NH2+]CC1CCN([C@@H](C)C(=O)N[C@@H](C)c2cccc3ccccc32)CC1 ZINC000430583280 931957580 /nfs/dbraw/zinc/95/75/80/931957580.db2.gz XJMGZMULRUZDDW-ROUUACIJSA-N 1 3 367.537 3.727 20 0 FHADHO CC(C)[C@H]([NH3+])CCN(C)CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000430587219 931972091 /nfs/dbraw/zinc/97/20/91/931972091.db2.gz VKTOTVJBQGQVDJ-HXUWFJFHSA-N 1 3 353.510 3.987 20 0 FHADHO C[C@@H]1CN(C/C=C\C[N@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)C[C@H](C)C1(F)F ZINC000625653061 932371900 /nfs/dbraw/zinc/37/19/00/932371900.db2.gz HFMZHBVWKFGLFT-CRNKYXIYSA-N 1 3 350.444 3.989 20 0 FHADHO C[C@@H]1CN(C/C=C\C[N@@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)C[C@H](C)C1(F)F ZINC000625653061 932371902 /nfs/dbraw/zinc/37/19/02/932371902.db2.gz HFMZHBVWKFGLFT-CRNKYXIYSA-N 1 3 350.444 3.989 20 0 FHADHO COc1cccc(CN2CCC[C@@H](C3CC[NH2+]CC3)C2)c1OC(F)F ZINC000656786773 932426045 /nfs/dbraw/zinc/42/60/45/932426045.db2.gz XMWLNFUDBRJAFE-OAHLLOKOSA-N 1 3 354.441 3.508 20 0 FHADHO Fc1ccc(CCN2CCC(OCC[NH+]3CCCC3)CC2)c(Cl)c1 ZINC000581829607 932704522 /nfs/dbraw/zinc/70/45/22/932704522.db2.gz CCJMONKLBQEXEL-UHFFFAOYSA-N 1 3 354.897 3.598 20 0 FHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccccc3SC)CC2)CC1 ZINC000581892877 932896272 /nfs/dbraw/zinc/89/62/72/932896272.db2.gz ZPVQTQYCGOUTPY-UHFFFAOYSA-N 1 3 361.555 3.543 20 0 FHADHO C[C@H](CCc1c(F)cccc1F)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000510674983 933397678 /nfs/dbraw/zinc/39/76/78/933397678.db2.gz LMGSLRXVWKAVTQ-ZACQAIPSSA-N 1 3 354.485 3.765 20 0 FHADHO CC(C)C[N@@H+]1CCC[C@@H](CNC[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000562994560 933697669 /nfs/dbraw/zinc/69/76/69/933697669.db2.gz CZKCVLOECHXGCO-HKUYNNGSSA-N 1 3 372.475 3.566 20 0 FHADHO CC(C)C[N@H+]1CCC[C@@H](CNC[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000562994560 933697672 /nfs/dbraw/zinc/69/76/72/933697672.db2.gz CZKCVLOECHXGCO-HKUYNNGSSA-N 1 3 372.475 3.566 20 0 FHADHO Cc1noc(C2CC[NH+](CC(C)(C)CN(C)Cc3ccccc3)CC2)n1 ZINC000091835986 933899927 /nfs/dbraw/zinc/89/99/27/933899927.db2.gz MRVBOLBSQSJXDB-UHFFFAOYSA-N 1 3 356.514 3.716 20 0 FHADHO COc1cc(CN2CCC(CC[NH+](C)C)CC2)ccc1OCC(F)(F)F ZINC000092381115 934031822 /nfs/dbraw/zinc/03/18/22/934031822.db2.gz PXNYDCMVWINYBW-UHFFFAOYSA-N 1 3 374.447 3.800 20 0 FHADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(Cc2c[nH]nc2-c2cccnc2)CC1 ZINC000093844575 934180049 /nfs/dbraw/zinc/18/00/49/934180049.db2.gz RDZWHNLXYWFNCP-SFHVURJKSA-N 1 3 367.541 3.948 20 0 FHADHO C[C@H]1CCCC[N@H+]1CCC1CCN(Cc2c[nH]nc2-c2cccnc2)CC1 ZINC000093844575 934180054 /nfs/dbraw/zinc/18/00/54/934180054.db2.gz RDZWHNLXYWFNCP-SFHVURJKSA-N 1 3 367.541 3.948 20 0 FHADHO CC[C@@H](N[C@@H](C)CC[NH+](C)C)c1ccc(I)cc1 ZINC000610805964 934449276 /nfs/dbraw/zinc/44/92/76/934449276.db2.gz LZBNMCOCVKUTKK-SWLSCSKDSA-N 1 3 360.283 3.672 20 0 FHADHO CCN(CC)[C@H](CNC(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1)c1ccsc1 ZINC000236883189 934967999 /nfs/dbraw/zinc/96/79/99/934967999.db2.gz GTWSCLHMTDJNHN-ATZDWAIDSA-N 1 3 359.539 3.583 20 0 FHADHO COC[C@H](C)Oc1ccc(CNCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000657296378 934999435 /nfs/dbraw/zinc/99/94/35/934999435.db2.gz GUNLCTXYUYSXPO-IBGZPJMESA-N 1 3 368.521 3.986 20 0 FHADHO C[NH+](C)Cc1ccc(-c2ccccc2CNCc2cnn3c2CCC3)cc1 ZINC000657303415 935041675 /nfs/dbraw/zinc/04/16/75/935041675.db2.gz OHBSYIRGDBCTME-UHFFFAOYSA-N 1 3 360.505 3.848 20 0 FHADHO c1c2ccncc2sc1C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000657351327 935316013 /nfs/dbraw/zinc/31/60/13/935316013.db2.gz CKLPVHDIYHRGGN-GOSISDBHSA-N 1 3 351.519 3.951 20 0 FHADHO c1c2ccncc2sc1CNC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000657351327 935316020 /nfs/dbraw/zinc/31/60/20/935316020.db2.gz CKLPVHDIYHRGGN-GOSISDBHSA-N 1 3 351.519 3.951 20 0 FHADHO c1c2ccncc2sc1CNC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000657351327 935316027 /nfs/dbraw/zinc/31/60/27/935316027.db2.gz CKLPVHDIYHRGGN-GOSISDBHSA-N 1 3 351.519 3.951 20 0 FHADHO CC[NH+]1CCC(N2CCC(C(=O)NCC3(C)CCCCCC3)CC2)CC1 ZINC000516662627 945092443 /nfs/dbraw/zinc/09/24/43/945092443.db2.gz XLZVDVHHUCXYKG-UHFFFAOYSA-N 1 3 363.590 3.659 20 0 FHADHO Clc1ccccc1[C@H](NCC1CC[NH2+]CC1)c1ccc2c(c1)OCCO2 ZINC000582295234 935499712 /nfs/dbraw/zinc/49/97/12/935499712.db2.gz KICSBXSQHKUNCK-OAQYLSRUSA-N 1 3 372.896 3.790 20 0 FHADHO Cc1cc(F)ccc1C[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000509568827 945104809 /nfs/dbraw/zinc/10/48/09/945104809.db2.gz KJFGSPYBLHGNEI-UHFFFAOYSA-N 1 3 369.528 3.822 20 0 FHADHO C[C@H](CN1CCC(C)CC1)[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000582431976 935695770 /nfs/dbraw/zinc/69/57/70/935695770.db2.gz XLQXEENTHLLFPX-LJQANCHMSA-N 1 3 361.549 3.543 20 0 FHADHO CC[NH+](CC)CCOC1CCN(Cc2cccc(OC(F)F)c2)CC1 ZINC000075007691 936003144 /nfs/dbraw/zinc/00/31/44/936003144.db2.gz GEUWFINRNKEKHZ-UHFFFAOYSA-N 1 3 356.457 3.611 20 0 FHADHO Brc1ccc(CC2(CN[C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000657660774 936182280 /nfs/dbraw/zinc/18/22/80/936182280.db2.gz RBWHIUAZIGRKJY-ROUUACIJSA-N 1 3 363.343 3.988 20 0 FHADHO Brc1ccc(CC2(CN[C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000657660774 936182282 /nfs/dbraw/zinc/18/22/82/936182282.db2.gz RBWHIUAZIGRKJY-ROUUACIJSA-N 1 3 363.343 3.988 20 0 FHADHO CCCN1CCN(c2ccccc2C[NH2+]CC[C@@]2(C)CC2(F)F)CC1 ZINC000657671140 936216747 /nfs/dbraw/zinc/21/67/47/936216747.db2.gz KWNSCYHYXUFHMU-IBGZPJMESA-N 1 3 351.485 3.744 20 0 FHADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC000156553528 938265817 /nfs/dbraw/zinc/26/58/17/938265817.db2.gz PSBHTNUMIYOASZ-SFHVURJKSA-N 1 3 365.521 3.704 20 0 FHADHO CC(C)C[C@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccncc1 ZINC000647299406 938307781 /nfs/dbraw/zinc/30/77/81/938307781.db2.gz FADWLIGYFHTYRP-VXKWHMMOSA-N 1 3 353.510 3.525 20 0 FHADHO CC(C)C[C@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccncc1 ZINC000647299406 938307784 /nfs/dbraw/zinc/30/77/84/938307784.db2.gz FADWLIGYFHTYRP-VXKWHMMOSA-N 1 3 353.510 3.525 20 0 FHADHO CN(c1ccccc1CN1CC(C)(C)[C@@H]1[C@H]1CCCO1)C1CC[NH+](C)CC1 ZINC000583665592 938349412 /nfs/dbraw/zinc/34/94/12/938349412.db2.gz FGMVTQMSXLEIMI-YADHBBJMSA-N 1 3 371.569 3.606 20 0 FHADHO C[C@H]1CSc2ccc(Br)cc2[C@H]1NC1CC[NH+](C)CC1 ZINC000151125388 938385631 /nfs/dbraw/zinc/38/56/31/938385631.db2.gz SBWYCBMVTJZNHY-ZBEGNZNMSA-N 1 3 355.345 3.916 20 0 FHADHO CC[N@H+](CCC1CCN(Cc2cnc3c(C)cccn23)CC1)CC1CC1 ZINC000536140810 938439283 /nfs/dbraw/zinc/43/92/83/938439283.db2.gz LRSWOJODJOHQMW-UHFFFAOYSA-N 1 3 354.542 3.977 20 0 FHADHO CC[N@@H+](CCC1CCN(Cc2cnc3c(C)cccn23)CC1)CC1CC1 ZINC000536140810 938439285 /nfs/dbraw/zinc/43/92/85/938439285.db2.gz LRSWOJODJOHQMW-UHFFFAOYSA-N 1 3 354.542 3.977 20 0 FHADHO Cc1ccc(OCCC[NH+]2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)cc1C ZINC000060368505 945177208 /nfs/dbraw/zinc/17/72/08/945177208.db2.gz SQHARHRLQWFQPC-OYRHEFFESA-N 1 3 374.569 3.894 20 0 FHADHO CC(C)N1CCC([N@H+](C)C[C@H](O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC000507362789 945182241 /nfs/dbraw/zinc/18/22/41/945182241.db2.gz ROAGOFPCBUQMGC-FQEVSTJZSA-N 1 3 362.558 3.528 20 0 FHADHO CC(C)N1CCC([N@@H+](C)C[C@H](O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC000507362789 945182248 /nfs/dbraw/zinc/18/22/48/945182248.db2.gz ROAGOFPCBUQMGC-FQEVSTJZSA-N 1 3 362.558 3.528 20 0 FHADHO C[C@H]1C[C@H](NCCNC(=O)CC2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000089666744 938862647 /nfs/dbraw/zinc/86/26/47/938862647.db2.gz ZYESLCLQTNUCME-SIKLNZKXSA-N 1 3 371.569 3.716 20 0 FHADHO C[C@H]1C[C@H](NCCNC(=O)CC2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000089666744 938862649 /nfs/dbraw/zinc/86/26/49/938862649.db2.gz ZYESLCLQTNUCME-SIKLNZKXSA-N 1 3 371.569 3.716 20 0 FHADHO C[C@H]([NH2+]C[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)c1ccc([S@](C)=O)cc1 ZINC000090708788 938881877 /nfs/dbraw/zinc/88/18/77/938881877.db2.gz WXCIMJSATJOPJU-BVFWVQIHSA-N 1 3 370.562 3.985 20 0 FHADHO CCN(Cc1cn(-c2ccncc2)nc1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000685456719 938987772 /nfs/dbraw/zinc/98/77/72/938987772.db2.gz NKTYZZGWPOROBC-UHFFFAOYSA-N 1 3 363.509 3.659 20 0 FHADHO C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1nccc2ccccc21 ZINC000685653814 939009037 /nfs/dbraw/zinc/00/90/37/939009037.db2.gz XECVKWPPFOZJNP-UTKZUKDTSA-N 1 3 361.489 3.652 20 0 FHADHO C[C@@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1nccc2ccccc21 ZINC000685653814 939009038 /nfs/dbraw/zinc/00/90/38/939009038.db2.gz XECVKWPPFOZJNP-UTKZUKDTSA-N 1 3 361.489 3.652 20 0 FHADHO CO[C@@H]1CCC[C@@H]([C@H](CO)NC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC000658116634 939025228 /nfs/dbraw/zinc/02/52/28/939025228.db2.gz WOVSAUXQRWXOLW-RLLQIKCJSA-N 1 3 368.606 3.821 20 0 FHADHO CSc1ccc([C@@H](C)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1F ZINC000658142149 939035620 /nfs/dbraw/zinc/03/56/20/939035620.db2.gz VCFULSFEYPPMAE-DNVCBOLYSA-N 1 3 374.525 3.965 20 0 FHADHO CSc1ccc([C@@H](C)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1F ZINC000658142149 939035622 /nfs/dbraw/zinc/03/56/22/939035622.db2.gz VCFULSFEYPPMAE-DNVCBOLYSA-N 1 3 374.525 3.965 20 0 FHADHO C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccc(F)cc1N(C)C ZINC000658166365 939054141 /nfs/dbraw/zinc/05/41/41/939054141.db2.gz OAGSFWYSOGUUDC-KRWDZBQOSA-N 1 3 370.516 3.850 20 0 FHADHO COC[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1cccc(Cl)c1 ZINC000658166357 939054177 /nfs/dbraw/zinc/05/41/77/939054177.db2.gz NZNFLWMLZILOEL-OAQYLSRUSA-N 1 3 373.928 3.924 20 0 FHADHO CC(C)N1CCN(CCC[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000511828519 945224956 /nfs/dbraw/zinc/22/49/56/945224956.db2.gz YESCAEPZHVBEFG-DNVJHFABSA-N 1 3 355.570 3.671 20 0 FHADHO CC(C)N1CCN(CCC[N@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000511828519 945224965 /nfs/dbraw/zinc/22/49/65/945224965.db2.gz YESCAEPZHVBEFG-DNVJHFABSA-N 1 3 355.570 3.671 20 0 FHADHO CCc1cccnc1[C@H](C)[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000507464358 945264538 /nfs/dbraw/zinc/26/45/38/945264538.db2.gz XEGNHCJQDJEXDC-FQEVSTJZSA-N 1 3 366.553 3.897 20 0 FHADHO COc1cc2c(c(CNCCCC[N@H+]3C[C@H](C)C[C@H](C)C3)c1)O[C@@H](C)C2 ZINC000518266171 945268822 /nfs/dbraw/zinc/26/88/22/945268822.db2.gz OLIORRCDEPWJCP-KSZLIROESA-N 1 3 360.542 3.866 20 0 FHADHO COc1cc2c(c(CNCCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)c1)O[C@@H](C)C2 ZINC000518266171 945268824 /nfs/dbraw/zinc/26/88/24/945268824.db2.gz OLIORRCDEPWJCP-KSZLIROESA-N 1 3 360.542 3.866 20 0 FHADHO c1cnn([C@@H]2CCCC[C@H]2[NH2+][C@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)c1 ZINC000507499288 945269499 /nfs/dbraw/zinc/26/94/99/945269499.db2.gz YIQPLLOXPVGEHP-JFDBCFPISA-N 1 3 364.537 3.867 20 0 FHADHO C[C@@H]1C[NH+](CC2CCN(C/C=C/c3ccc(F)c(F)c3)CC2)C[C@@H](C)O1 ZINC000521114464 940097875 /nfs/dbraw/zinc/09/78/75/940097875.db2.gz DINMVKUFVMSFIS-MULDZMIYSA-N 1 3 364.480 3.799 20 0 FHADHO CCC[N@H+](Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)C1CCNCC1 ZINC000647484482 940132126 /nfs/dbraw/zinc/13/21/26/940132126.db2.gz PBMHNMKWTJICSL-UHFFFAOYSA-N 1 3 366.431 3.855 20 0 FHADHO CCC[N@@H+](Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)C1CCNCC1 ZINC000647484482 940132129 /nfs/dbraw/zinc/13/21/29/940132129.db2.gz PBMHNMKWTJICSL-UHFFFAOYSA-N 1 3 366.431 3.855 20 0 FHADHO CCCN(Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)C1CC[NH2+]CC1 ZINC000647484482 940132132 /nfs/dbraw/zinc/13/21/32/940132132.db2.gz PBMHNMKWTJICSL-UHFFFAOYSA-N 1 3 366.431 3.855 20 0 FHADHO CN1CCCC[C@@H]1CC[N@H+](C)CCC(=O)Nc1ccc(Cl)cc1F ZINC000173952428 940689828 /nfs/dbraw/zinc/68/98/28/940689828.db2.gz JFIUDTFTJJWKGG-OAHLLOKOSA-N 1 3 355.885 3.614 20 0 FHADHO CN1CCCC[C@@H]1CC[N@@H+](C)CCC(=O)Nc1ccc(Cl)cc1F ZINC000173952428 940689830 /nfs/dbraw/zinc/68/98/30/940689830.db2.gz JFIUDTFTJJWKGG-OAHLLOKOSA-N 1 3 355.885 3.614 20 0 FHADHO Cc1cc(C)c(NC(=O)CCCN2CCC[C@]3(CC[N@@H+](C)C3)C2)c(C)c1 ZINC000660658478 945359872 /nfs/dbraw/zinc/35/98/72/945359872.db2.gz CUXXSXBOVUCFPC-JOCHJYFZSA-N 1 3 357.542 3.748 20 0 FHADHO Cc1cc(C)c(NC(=O)CCCN2CCC[C@]3(CC[N@H+](C)C3)C2)c(C)c1 ZINC000660658478 945359884 /nfs/dbraw/zinc/35/98/84/945359884.db2.gz CUXXSXBOVUCFPC-JOCHJYFZSA-N 1 3 357.542 3.748 20 0 FHADHO OC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000414326424 940980783 /nfs/dbraw/zinc/98/07/83/940980783.db2.gz ANOFECPCAJNLSC-OOYIDZMOSA-N 1 3 356.554 3.818 20 0 FHADHO Cc1cc(CN2C[C@@H](C)[C@](C)(C[NH3+])C2)cc(C)c1OCc1ccccn1 ZINC000415052028 941567613 /nfs/dbraw/zinc/56/76/13/941567613.db2.gz GSAGKOSUXGEVSS-XMSQKQJNSA-N 1 3 353.510 3.694 20 0 FHADHO CC(C)C[C@@H]([NH3+])CNCC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000415093230 941602133 /nfs/dbraw/zinc/60/21/33/941602133.db2.gz UUKAZIUTOXZUAZ-QGZVFWFLSA-N 1 3 358.448 3.717 20 0 FHADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@H]2CCC(F)(F)C2)CC1 ZINC000430005899 941804625 /nfs/dbraw/zinc/80/46/25/941804625.db2.gz ODFFDNLNCSEVIN-QGZVFWFLSA-N 1 3 351.485 3.744 20 0 FHADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C[C@H](N)c2ccccc2)cc1 ZINC000263369315 941845634 /nfs/dbraw/zinc/84/56/34/941845634.db2.gz XJVDDKXTRQVJHA-GCJKJVERSA-N 1 3 365.521 3.767 20 0 FHADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C[C@H](N)c2ccccc2)cc1 ZINC000263369315 941845642 /nfs/dbraw/zinc/84/56/42/941845642.db2.gz XJVDDKXTRQVJHA-GCJKJVERSA-N 1 3 365.521 3.767 20 0 FHADHO C[C@@H](c1ccccc1C(F)(F)F)[N@@H+]1CCC[C@H](CN2CCN(C)CC2)C1 ZINC000377628018 941854744 /nfs/dbraw/zinc/85/47/44/941854744.db2.gz QBBRQGXGVKENQW-DLBZAZTESA-N 1 3 369.475 3.726 20 0 FHADHO C[C@@H](c1ccccc1C(F)(F)F)[N@H+]1CCC[C@H](CN2CCN(C)CC2)C1 ZINC000377628018 941854749 /nfs/dbraw/zinc/85/47/49/941854749.db2.gz QBBRQGXGVKENQW-DLBZAZTESA-N 1 3 369.475 3.726 20 0 FHADHO CC[NH+](CC)Cc1ccccc1CN[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000163789410 942020008 /nfs/dbraw/zinc/02/00/08/942020008.db2.gz CSJHCRIOAHBBRQ-SFHVURJKSA-N 1 3 363.509 3.960 20 0 FHADHO C[NH2+]Cc1ccccc1NC(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000415895847 942123209 /nfs/dbraw/zinc/12/32/09/942123209.db2.gz CBOYDTNNETYOAN-IBGZPJMESA-N 1 3 372.538 3.552 20 0 FHADHO CC[NH2+]Cc1ccccc1NC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000415924392 942151922 /nfs/dbraw/zinc/15/19/22/942151922.db2.gz WKLDZMMIIFDDRJ-UZLBHIALSA-N 1 3 354.498 3.609 20 0 FHADHO CCN1CCC([N@@H+]2CCCN([C@H](C)c3c(F)cccc3F)CC2)CC1 ZINC000420974342 942286417 /nfs/dbraw/zinc/28/64/17/942286417.db2.gz DIAABDLQILUBTH-MRXNPFEDSA-N 1 3 351.485 3.518 20 0 FHADHO CCN1CCC([N@H+]2CCCN([C@H](C)c3c(F)cccc3F)CC2)CC1 ZINC000420974342 942286422 /nfs/dbraw/zinc/28/64/22/942286422.db2.gz DIAABDLQILUBTH-MRXNPFEDSA-N 1 3 351.485 3.518 20 0 FHADHO CCN1CCN(CCC[NH2+]C/C(C)=C\c2ccccc2C(F)(F)F)CC1 ZINC000501409821 942465314 /nfs/dbraw/zinc/46/53/14/942465314.db2.gz DVZIYNDSBVQYJP-ICFOKQHNSA-N 1 3 369.475 3.726 20 0 FHADHO CCCC[NH+](CCCC)CCNc1cccc2cc([C@H]3CNCCO3)cn21 ZINC001167733516 942486611 /nfs/dbraw/zinc/48/66/11/942486611.db2.gz XYOJDAIFLJODSI-OAQYLSRUSA-N 1 3 372.557 3.914 20 0 FHADHO CC(C)[NH+](CCN(C)C(=O)c1oc2ccccc2c1CN(C)C)C(C)C ZINC000505367523 942505705 /nfs/dbraw/zinc/50/57/05/942505705.db2.gz VDCLEMMBZAPZOE-UHFFFAOYSA-N 1 3 359.514 3.685 20 0 FHADHO Cc1ccc(-c2noc([C@H](C)N3CCC[C@H]([C@H]4CC[NH2+]C4)C3)n2)cc1F ZINC000420341987 942626035 /nfs/dbraw/zinc/62/60/35/942626035.db2.gz PDDWUEOLQAUESH-XIRDDKMYSA-N 1 3 358.461 3.567 20 0 FHADHO O=C(CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccccc1-c1ccccc1 ZINC000420345662 942626607 /nfs/dbraw/zinc/62/66/07/942626607.db2.gz WHPYORIRGWLVTF-UXHICEINSA-N 1 3 363.505 3.614 20 0 FHADHO NC[C@H]([NH2+]CC(=O)Nc1ccccc1Oc1ccccc1)C1CCCCC1 ZINC000420365375 942640711 /nfs/dbraw/zinc/64/07/11/942640711.db2.gz SAEBTMCAHWUKQO-FQEVSTJZSA-N 1 3 367.493 3.915 20 0 FHADHO CC(=O)c1c(C)cc(C)c(CN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c1C ZINC000420388155 942651196 /nfs/dbraw/zinc/65/11/96/942651196.db2.gz WWZKNZSPRAFQCX-IFMALSPDSA-N 1 3 358.526 3.533 20 0 FHADHO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420406022 942663789 /nfs/dbraw/zinc/66/37/89/942663789.db2.gz NIBKMQDWNKNVFW-FUHIMQAGSA-N 1 3 351.494 3.917 20 0 FHADHO CCN(C(=O)[C@H](C)N1CCC(CCC[NH+](C)C)CC1)C1CCCCC1 ZINC000501786578 942672785 /nfs/dbraw/zinc/67/27/85/942672785.db2.gz SIYRIYKOJCZOIC-SFHVURJKSA-N 1 3 351.579 3.610 20 0 FHADHO Cc1cccc2ncc(CN3CCC(C[N@@H+](C)Cc4ccccc4)CC3)n21 ZINC000513758701 942797304 /nfs/dbraw/zinc/79/73/04/942797304.db2.gz BMEUQNOPDXVHTG-UHFFFAOYSA-N 1 3 362.521 3.987 20 0 FHADHO Cc1cccc2ncc(CN3CCC(C[N@H+](C)Cc4ccccc4)CC3)n21 ZINC000513758701 942797306 /nfs/dbraw/zinc/79/73/06/942797306.db2.gz BMEUQNOPDXVHTG-UHFFFAOYSA-N 1 3 362.521 3.987 20 0 FHADHO OC1(CNCc2cnc(C3CCC3)s2)CC[NH+](Cc2ccccc2)CC1 ZINC000414557378 942860513 /nfs/dbraw/zinc/86/05/13/942860513.db2.gz ZVJBEVOEEMCCHD-UHFFFAOYSA-N 1 3 371.550 3.527 20 0 FHADHO CCCCC[N@@H+](Cc1ccc(Cl)cc1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414673002 943201911 /nfs/dbraw/zinc/20/19/11/943201911.db2.gz BJWJEOKOOWDZQG-GOSISDBHSA-N 1 3 365.949 3.530 20 0 FHADHO CCCCC[N@H+](Cc1ccc(Cl)cc1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414673002 943201916 /nfs/dbraw/zinc/20/19/16/943201916.db2.gz BJWJEOKOOWDZQG-GOSISDBHSA-N 1 3 365.949 3.530 20 0 FHADHO CC(C)CC(=O)Nc1cccc(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)N)c1 ZINC000422724020 943258796 /nfs/dbraw/zinc/25/87/96/943258796.db2.gz UBHXOGMFEZEIFM-UWJYYQICSA-N 1 3 353.510 3.719 20 0 FHADHO CC(C)(CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccc(F)cc1Cl ZINC000422737741 943264723 /nfs/dbraw/zinc/26/47/23/943264723.db2.gz XVTKLQBWCOYSIQ-FHLIZLRMSA-N 1 3 354.897 3.503 20 0 FHADHO C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000422785644 943282656 /nfs/dbraw/zinc/28/26/56/943282656.db2.gz NPRGGOAWZPDCJF-VGSWGCGISA-N 1 3 371.956 3.853 20 0 FHADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000422785644 943282661 /nfs/dbraw/zinc/28/26/61/943282661.db2.gz NPRGGOAWZPDCJF-VGSWGCGISA-N 1 3 371.956 3.853 20 0 FHADHO CCN(CC)[C@@H](C[NH2+][C@H](C)c1ccc(CN)nc1C)c1cccc(OC)c1 ZINC000422800038 943288699 /nfs/dbraw/zinc/28/86/99/943288699.db2.gz ZEYFOIYGEPVSOY-ZHRRBRCNSA-N 1 3 370.541 3.591 20 0 FHADHO COc1ccc(Cl)cc1NC(=O)CCN[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000422830654 943298810 /nfs/dbraw/zinc/29/88/10/943298810.db2.gz WAPMBPLCCAPXQT-GDBMZVCRSA-N 1 3 367.921 3.578 20 0 FHADHO CCOCc1ccc(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422835267 943299602 /nfs/dbraw/zinc/29/96/02/943299602.db2.gz PDJLSBVRUULHBM-IRLDBZIGSA-N 1 3 352.478 3.569 20 0 FHADHO Fc1cccc(F)c1C1(CN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)CCCC1 ZINC000422847540 943304076 /nfs/dbraw/zinc/30/40/76/943304076.db2.gz RQURBKIPQTVVHD-ZYSHUDEJSA-N 1 3 364.480 3.523 20 0 FHADHO Cc1c(Cl)cccc1NC(=O)CCN[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000422857060 943307049 /nfs/dbraw/zinc/30/70/49/943307049.db2.gz GODXGLSZFBDWMM-ZBFHGGJFSA-N 1 3 351.922 3.877 20 0 FHADHO Cc1ccc(Cl)cc1N1CC[C@@H](C[NH2+][C@@H](C)c2ccc(CN)nc2C)C1 ZINC000422876100 943313751 /nfs/dbraw/zinc/31/37/51/943313751.db2.gz FAHNYFKIODQAEN-RDJZCZTQSA-N 1 3 372.944 3.988 20 0 FHADHO C[C@H](NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1cnccc1N ZINC000422880444 943314830 /nfs/dbraw/zinc/31/48/30/943314830.db2.gz LWVMFCVGOJSVRW-KSZLIROESA-N 1 3 352.526 3.823 20 0 FHADHO C[C@H](NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1cnccc1N ZINC000422880444 943314835 /nfs/dbraw/zinc/31/48/35/943314835.db2.gz LWVMFCVGOJSVRW-KSZLIROESA-N 1 3 352.526 3.823 20 0 FHADHO COc1ccc(Cl)cc1C1(C[NH2+][C@H]2CCCC[C@@H]2CN)CCOCC1 ZINC000422906254 943326339 /nfs/dbraw/zinc/32/63/39/943326339.db2.gz UVHHGDUNDQEWCZ-QAPCUYQASA-N 1 3 366.933 3.504 20 0 FHADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCc1nc2ccccc2n1C(F)F ZINC000422906957 943326604 /nfs/dbraw/zinc/32/66/04/943326604.db2.gz ANTFAZQWVMYKBW-PBHICJAKSA-N 1 3 358.436 3.522 20 0 FHADHO COc1ccccc1SC[C@@H](C)C[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000422942175 943339757 /nfs/dbraw/zinc/33/97/57/943339757.db2.gz IWVXKIGLYTZFMW-LSDHHAIUSA-N 1 3 359.539 3.936 20 0 FHADHO COc1ccc([C@H](N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C2CC2)cc1 ZINC000422944127 943342090 /nfs/dbraw/zinc/34/20/90/943342090.db2.gz RRPWJTHQHJXDJN-MDNUFGMLSA-N 1 3 364.489 3.992 20 0 FHADHO C[C@@H]1CN(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)[C@@H](C)CN1 ZINC000414707460 943344388 /nfs/dbraw/zinc/34/43/88/943344388.db2.gz HYWGIIMEPVEKLH-SJORKVTESA-N 1 3 358.530 3.665 20 0 FHADHO C[C@@H]1CN(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)[C@@H](C)CN1 ZINC000414707460 943344390 /nfs/dbraw/zinc/34/43/90/943344390.db2.gz HYWGIIMEPVEKLH-SJORKVTESA-N 1 3 358.530 3.665 20 0 FHADHO CCN(CC)[C@H](CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccco1 ZINC000422973358 943355148 /nfs/dbraw/zinc/35/51/48/943355148.db2.gz ODNDUMBGBFUGQW-WOIUINJBSA-N 1 3 369.509 3.508 20 0 FHADHO Clc1ccc(COCCN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422996891 943359803 /nfs/dbraw/zinc/35/98/03/943359803.db2.gz AEGOXOPZPMSMRR-PZJWPPBQSA-N 1 3 372.896 3.702 20 0 FHADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000423014461 943364947 /nfs/dbraw/zinc/36/49/47/943364947.db2.gz PDNZXZMEYKCDLS-RISCZKNCSA-N 1 3 365.827 3.630 20 0 FHADHO CC[N@H+](CCCC1CCN(Cc2conc2C)CC1)Cc1conc1C ZINC000660159266 943365602 /nfs/dbraw/zinc/36/56/02/943365602.db2.gz ZGBUUVIUWPHKHV-UHFFFAOYSA-N 1 3 360.502 3.794 20 0 FHADHO CC[N@@H+](CCCC1CCN(Cc2conc2C)CC1)Cc1conc1C ZINC000660159266 943365611 /nfs/dbraw/zinc/36/56/11/943365611.db2.gz ZGBUUVIUWPHKHV-UHFFFAOYSA-N 1 3 360.502 3.794 20 0 FHADHO CN1CC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2CN)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423021529 943367834 /nfs/dbraw/zinc/36/78/34/943367834.db2.gz FQMDLQUBULFPSO-RGCFKVTRSA-N 1 3 353.913 3.579 20 0 FHADHO N[C@@H]1CCC[C@H]1[NH2+]CCOc1c(Cl)cc(Br)cc1Cl ZINC000423022829 943369822 /nfs/dbraw/zinc/36/98/22/943369822.db2.gz FZRHSUXOOHWYOM-VXGBXAGGSA-N 1 3 368.102 3.604 20 0 FHADHO Fc1cc(N2CC[C@H](N[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)C2)ccc1Cl ZINC000423028234 943370670 /nfs/dbraw/zinc/37/06/70/943370670.db2.gz SJWGINZVPYQZMZ-KNEBKQPDSA-N 1 3 351.897 3.568 20 0 FHADHO CO[C@H](c1ccccc1F)[C@H](C)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423033138 943372044 /nfs/dbraw/zinc/37/20/44/943372044.db2.gz WTCQNGZFQDGEPA-YWASFDNLSA-N 1 3 370.468 3.747 20 0 FHADHO COCc1ccccc1/C=C(\C)C[NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1 ZINC000511607397 943375090 /nfs/dbraw/zinc/37/50/90/943375090.db2.gz WEQYHKHLHJLTMY-DNXBDCAASA-N 1 3 372.553 3.594 20 0 FHADHO c1ccc(CN2CCSC[C@@H]2CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000423080677 943386975 /nfs/dbraw/zinc/38/69/75/943386975.db2.gz ZUWCCMOQZDDYQK-MYGLTJDJSA-N 1 3 373.610 3.504 20 0 FHADHO CC(C)Oc1ccc([C@H](CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)N(C)C)cc1 ZINC000423122960 943397798 /nfs/dbraw/zinc/39/77/98/943397798.db2.gz KJZJKJPOYHKSQU-AFXVXQJMSA-N 1 3 373.585 3.977 20 0 FHADHO CC(=O)Nc1ccc(CN(Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000435420885 943399893 /nfs/dbraw/zinc/39/98/93/943399893.db2.gz GHPXJDGQGNIHAX-FQEVSTJZSA-N 1 3 369.534 3.851 20 0 FHADHO CN(CCC(F)(F)F)[C@H](C[NH2+][C@H]1CCC[C@H]1N)c1ccc(Cl)cc1 ZINC000423106761 943402592 /nfs/dbraw/zinc/40/25/92/943402592.db2.gz PDCKHEMEHSIGEP-OWCLPIDISA-N 1 3 363.855 3.735 20 0 FHADHO FC(F)O[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000503885220 943402786 /nfs/dbraw/zinc/40/27/86/943402786.db2.gz KPKDSWMFKBEERW-FVVUREQNSA-N 1 3 350.453 3.647 20 0 FHADHO Clc1ccccc1[C@@H](NCC[C@H]1CC[NH2+]C1)c1ccc2c(c1)OCCO2 ZINC000423243065 943456734 /nfs/dbraw/zinc/45/67/34/943456734.db2.gz GDHVOBNKJUVIGP-VFNWGFHPSA-N 1 3 372.896 3.790 20 0 FHADHO CC(C)N(CC(=O)Nc1ccccc1C(F)(F)F)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414727420 943457235 /nfs/dbraw/zinc/45/72/35/943457235.db2.gz BCMZHDJBPSMHFG-CABCVRRESA-N 1 3 371.447 3.742 20 0 FHADHO CC(C)C[C@@H](N)C[N@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000414734353 943484145 /nfs/dbraw/zinc/48/41/45/943484145.db2.gz DOLGLZNSVNJEQN-QGZVFWFLSA-N 1 3 369.347 3.804 20 0 FHADHO CC(C)C[C@@H](N)C[N@@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000414734353 943484149 /nfs/dbraw/zinc/48/41/49/943484149.db2.gz DOLGLZNSVNJEQN-QGZVFWFLSA-N 1 3 369.347 3.804 20 0 FHADHO COc1ccc([C@@H](C)NCc2ccc3c(c2)C[NH2+]C3)cc1Br ZINC000423365277 943492351 /nfs/dbraw/zinc/49/23/51/943492351.db2.gz AZTMHPGUQJHYRF-GFCCVEGCSA-N 1 3 361.283 3.912 20 0 FHADHO CCN(Cc1cc(Br)cc2cccnc21)[C@@H]1CCC[NH2+]CC1 ZINC000435616890 943517057 /nfs/dbraw/zinc/51/70/57/943517057.db2.gz MFKRPMDDGKAVRQ-QGZVFWFLSA-N 1 3 362.315 3.961 20 0 FHADHO CO[C@H](c1ccccc1)[C@H](C)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423465321 943523389 /nfs/dbraw/zinc/52/33/89/943523389.db2.gz HRJYGTMBLXGIHW-VHHKXPHXSA-N 1 3 356.485 3.885 20 0 FHADHO CCc1ccccc1[C@H]([NH3+])CN[C@@H](CCn1cncn1)c1ccc(C)cc1 ZINC000423499302 943529585 /nfs/dbraw/zinc/52/95/85/943529585.db2.gz JJMSOIFURDWXCQ-YADHBBJMSA-N 1 3 363.509 3.570 20 0 FHADHO COc1ccc([C@H](C)N[C@H](CCC[NH3+])c2ccccc2)cc1NC(C)=O ZINC000423501022 943530472 /nfs/dbraw/zinc/53/04/72/943530472.db2.gz KUVJJFHMPLIHLC-HNAYVOBHSA-N 1 3 355.482 3.784 20 0 FHADHO Fc1ccc([C@@H]2CCNC[C@@H]2C[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)cc1 ZINC000423483090 943532845 /nfs/dbraw/zinc/53/28/45/943532845.db2.gz YEWJSIVRXCZPLV-XRYRHKQGSA-N 1 3 360.517 3.704 20 0 FHADHO Fc1ccc([C@@H]2CCNC[C@@H]2C[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)cc1 ZINC000423483091 943533124 /nfs/dbraw/zinc/53/31/24/943533124.db2.gz YEWJSIVRXCZPLV-ZQONDGBOSA-N 1 3 360.517 3.704 20 0 FHADHO COCC[C@H](Cc1cccc(F)c1)[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000423528091 943538473 /nfs/dbraw/zinc/53/84/73/943538473.db2.gz NTIGJSKKULCUGS-TVVVCHRXSA-N 1 3 360.517 3.517 20 0 FHADHO COCC[C@H](Cc1cccc(F)c1)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423528091 943538475 /nfs/dbraw/zinc/53/84/75/943538475.db2.gz NTIGJSKKULCUGS-TVVVCHRXSA-N 1 3 360.517 3.517 20 0 FHADHO COc1cc(C)c(C[C@H](C)[NH2+]CC2(N)C3CC4CC(C3)CC2C4)cc1OC ZINC000423517231 943543241 /nfs/dbraw/zinc/54/32/41/943543241.db2.gz BHXSBKOVBULHIE-VBVZNHOFSA-N 1 3 372.553 3.686 20 0 FHADHO CCOc1c(Cl)cc(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1OC ZINC000414773976 943729524 /nfs/dbraw/zinc/72/95/24/943729524.db2.gz FAOCPYWZMOYLMY-HZPDHXFCSA-N 1 3 352.906 3.569 20 0 FHADHO CCOc1cc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)ccc1OCC(F)(F)F ZINC000584839580 943737916 /nfs/dbraw/zinc/73/79/16/943737916.db2.gz RCWBKOCHDGVUAY-JYJNAYRXSA-N 1 3 372.431 3.586 20 0 FHADHO C[C@H]([NH2+]CC[C@H]1Sc2ccccc2NC1=O)[C@@H]1CCCN(C2CCC2)C1 ZINC000660257427 943795652 /nfs/dbraw/zinc/79/56/52/943795652.db2.gz SUAIWSNOQDUFOW-RZQQEMMASA-N 1 3 373.566 3.732 20 0 FHADHO CCOc1c(Cl)cc(CN2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1OC ZINC000424375881 943887256 /nfs/dbraw/zinc/88/72/56/943887256.db2.gz KJYPALSRFYFOAV-AWEZNQCLSA-N 1 3 352.906 3.711 20 0 FHADHO CCOc1cc(CN2CC3(C[C@@H]2C)CC[NH2+]CC3)cc(Cl)c1OC ZINC000424385723 943892418 /nfs/dbraw/zinc/89/24/18/943892418.db2.gz WLYNLRKHEVFVFW-AWEZNQCLSA-N 1 3 352.906 3.711 20 0 FHADHO Cc1cc(C[NH3+])cc(NC(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000424436715 943929008 /nfs/dbraw/zinc/92/90/08/943929008.db2.gz MTFUQBSIYUWSNQ-OAQYLSRUSA-N 1 3 366.509 3.582 20 0 FHADHO C[C@H](C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)N1[C@H](C)CC[C@@H]1C ZINC000511643755 943980153 /nfs/dbraw/zinc/98/01/53/943980153.db2.gz FDRMCFTZBMMMEV-CEXWTWQISA-N 1 3 357.542 3.915 20 0 FHADHO CN1CCN(CC2(C)CC[NH+](CCCCCOc3ccccc3)CC2)CC1 ZINC000437973263 944260516 /nfs/dbraw/zinc/26/05/16/944260516.db2.gz TVPSRYVFYFJDDA-UHFFFAOYSA-N 1 3 373.585 3.585 20 0 FHADHO COc1ccc(-c2nc3c(s2)[C@@H]([NH2+]C[C@@H](C)CN(C)C)CCC3)cc1 ZINC000425955000 944391453 /nfs/dbraw/zinc/39/14/53/944391453.db2.gz XWYNCCONUUFXGB-PBHICJAKSA-N 1 3 359.539 3.983 20 0 FHADHO CC[C@H](N)C[NH2+][C@H](C)COc1ccc2cc(Br)ccc2c1 ZINC000414994242 944521883 /nfs/dbraw/zinc/52/18/83/944521883.db2.gz UPAHVLWLGQELQC-WBMJQRKESA-N 1 3 351.288 3.697 20 0 FHADHO CC[NH+]1CCC(NC(=O)CN(Cc2ccccc2)[C@@H](C)C(C)(C)C)CC1 ZINC000469446871 944666270 /nfs/dbraw/zinc/66/62/70/944666270.db2.gz UOHCFFZWCYAGKE-SFHVURJKSA-N 1 3 359.558 3.524 20 0 FHADHO C/C(=C/c1ccccc1C(F)(F)F)C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000500376928 944681951 /nfs/dbraw/zinc/68/19/51/944681951.db2.gz MVGYBTOCYIDCIA-SSZFMOIBSA-N 1 3 369.475 3.724 20 0 FHADHO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CN1CCC(C[NH+](C)C)CC1 ZINC000506881238 944699233 /nfs/dbraw/zinc/69/92/33/944699233.db2.gz NGWQEXKLWISPBP-UHFFFAOYSA-N 1 3 374.960 3.975 20 0 FHADHO Cc1nn(Cc2ccc(C)cc2)c(C)c1CN1CCC(C[NH+](C)C)CC1 ZINC000506885687 944703839 /nfs/dbraw/zinc/70/38/39/944703839.db2.gz RQSXWCKGTUXLBC-UHFFFAOYSA-N 1 3 354.542 3.630 20 0 FHADHO CCN(CC)[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)c1ccsc1 ZINC000438572761 944789533 /nfs/dbraw/zinc/78/95/33/944789533.db2.gz GKYGZVWRVWOCHG-MOPGFXCFSA-N 1 3 363.571 3.654 20 0 FHADHO CCN(CC)[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)c1ccsc1 ZINC000438572761 944789543 /nfs/dbraw/zinc/78/95/43/944789543.db2.gz GKYGZVWRVWOCHG-MOPGFXCFSA-N 1 3 363.571 3.654 20 0 FHADHO CCOc1cc2[nH+]ccc(N3CCN(C4CCC4)CC3)c2cc1OCC ZINC000500416686 944843137 /nfs/dbraw/zinc/84/31/37/944843137.db2.gz XBYVVFMUBNYHHZ-UHFFFAOYSA-N 1 3 355.482 3.707 20 0 FHADHO C[C@@H](N)[C@H](C)[NH2+][C@H](C)COc1ccc2cc(Br)ccc2c1 ZINC000415004908 944993526 /nfs/dbraw/zinc/99/35/26/944993526.db2.gz AIPZWEUJFGXVLX-UPJWGTAASA-N 1 3 351.288 3.695 20 0 FHADHO Brc1ccc(C[NH+]2CCC3(CN(Cc4ccc[nH]4)C3)CC2)cc1 ZINC001279143408 945850890 /nfs/dbraw/zinc/85/08/90/945850890.db2.gz SEUIACZHMSBWOT-UHFFFAOYSA-N 1 3 374.326 3.875 20 0 FHADHO CC[NH+]1CCC(N2CCC(C(=O)N3c4ccccc4CC[C@@H]3C)CC2)CC1 ZINC000665580258 946181558 /nfs/dbraw/zinc/18/15/58/946181558.db2.gz SUIUQFQBLJEPDU-SFHVURJKSA-N 1 3 369.553 3.551 20 0 FHADHO C[C@@H](CC[NH+]1CCN(C)CC1)Nc1ccnc2cc(C(F)(F)F)ccc21 ZINC000302238101 946191715 /nfs/dbraw/zinc/19/17/15/946191715.db2.gz GWFXRHOMNUAXJL-AWEZNQCLSA-N 1 3 366.431 3.692 20 0 FHADHO COC(=O)C1(C)CCN(C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001168055697 946300063 /nfs/dbraw/zinc/30/00/63/946300063.db2.gz XRMQMSLHJHTELW-QZTJIDSGSA-N 1 3 358.526 3.703 20 0 FHADHO C[C@H]1CC(N2CC[C@H](N3CCCC3)[C@@H](F)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168067328 946356948 /nfs/dbraw/zinc/35/69/48/946356948.db2.gz TYYBJOURNCFNIU-ZZTDLJEGSA-N 1 3 373.560 3.936 20 0 FHADHO CC[C@H](Cc1ccc(C)cc1)N(CC)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000441356711 946475456 /nfs/dbraw/zinc/47/54/56/946475456.db2.gz QISMWLOAQFBZPR-JOCHJYFZSA-N 1 3 373.585 3.627 20 0 FHADHO Cc1cc(F)ccc1-c1ccc(C[NH2+]CCN2CCN(C)C(C)(C)C2)o1 ZINC000441376515 946530387 /nfs/dbraw/zinc/53/03/87/946530387.db2.gz ATGBIGVBXKAQSZ-UHFFFAOYSA-N 1 3 359.489 3.510 20 0 FHADHO C[C@H]1CCCN(Cc2ccc(C(=O)Nc3ccccc3)cc2)[C@H]1CC[NH3+] ZINC000652353722 946903910 /nfs/dbraw/zinc/90/39/10/946903910.db2.gz AQDAMXXMPVGQIR-UWJYYQICSA-N 1 3 351.494 3.888 20 0 FHADHO CCN1CCN(c2ccccc2C[NH2+]CCC2CC(OC(C)(C)C)C2)CC1 ZINC000432251166 946961408 /nfs/dbraw/zinc/96/14/08/946961408.db2.gz RCFSCQPKKDVSLR-UHFFFAOYSA-N 1 3 373.585 3.902 20 0 FHADHO C[C@@H]1CN(Cc2ccc(-c3cccs3)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000444669984 947094637 /nfs/dbraw/zinc/09/46/37/947094637.db2.gz HRAPHVAVLGHTMS-NQIIRXRSSA-N 1 3 369.578 3.873 20 0 FHADHO O=C(Nc1ccc(Cl)c(Cl)c1)C1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000209570220 947172290 /nfs/dbraw/zinc/17/22/90/947172290.db2.gz NUVXLSYUMCDVLS-ZDUSSCGKSA-N 1 3 370.324 3.644 20 0 FHADHO CCOc1cc2nccc(N3CC[C@H]([NH+]4CCCC4)C3)c2cc1OCC ZINC000301262312 947256639 /nfs/dbraw/zinc/25/66/39/947256639.db2.gz VLIIPZDOVDWVAZ-INIZCTEOSA-N 1 3 355.482 3.707 20 0 FHADHO O=C(c1cccc(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)c1)N1CCCCC1 ZINC000662292814 947714777 /nfs/dbraw/zinc/71/47/77/947714777.db2.gz OXDFSOMFNHXYQD-JOCHJYFZSA-N 1 3 369.553 3.524 20 0 FHADHO C[C@@H]1CCCN(CC(=O)N[C@H](c2cccs2)C(C)(C)C)[C@@H]1CCC[NH3+] ZINC000662313247 947738801 /nfs/dbraw/zinc/73/88/01/947738801.db2.gz HVBHRCQEHJHSNZ-GPMSIDNRSA-N 1 3 365.587 3.791 20 0 FHADHO Clc1cccc(CN2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)c1 ZINC000662326965 947758650 /nfs/dbraw/zinc/75/86/50/947758650.db2.gz BPTZODAGHXOMCM-UHFFFAOYSA-N 1 3 358.917 3.910 20 0 FHADHO Clc1cccc(CN2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)c1 ZINC000662326965 947758651 /nfs/dbraw/zinc/75/86/51/947758651.db2.gz BPTZODAGHXOMCM-UHFFFAOYSA-N 1 3 358.917 3.910 20 0 FHADHO Cc1ccc(CNC[C@H]2CCC[N@H+](CC3CC3)C2)c(-c2cnn(C)c2)c1 ZINC000663344380 947811702 /nfs/dbraw/zinc/81/17/02/947811702.db2.gz SJQDFAWGJBZOLD-LJQANCHMSA-N 1 3 352.526 3.607 20 0 FHADHO Cc1ccc(CNC[C@H]2CCC[N@@H+](CC3CC3)C2)c(-c2cnn(C)c2)c1 ZINC000663344380 947811707 /nfs/dbraw/zinc/81/17/07/947811707.db2.gz SJQDFAWGJBZOLD-LJQANCHMSA-N 1 3 352.526 3.607 20 0 FHADHO CCCC[N@H+](CC)Cc1cccc(CNC(=O)c2cccc3c2CNC3)c1 ZINC000662495406 947865071 /nfs/dbraw/zinc/86/50/71/947865071.db2.gz RKOACDVHGPCMDO-UHFFFAOYSA-N 1 3 365.521 3.842 20 0 FHADHO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)c2cccc3c2CNC3)c1 ZINC000662495406 947865079 /nfs/dbraw/zinc/86/50/79/947865079.db2.gz RKOACDVHGPCMDO-UHFFFAOYSA-N 1 3 365.521 3.842 20 0 FHADHO CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)c1 ZINC000165288339 947874942 /nfs/dbraw/zinc/87/49/42/947874942.db2.gz CNIGUUSBWVFFAW-WIYYLYMNSA-N 1 3 365.521 3.860 20 0 FHADHO O=C(C[C@H]1NCc2ccccc21)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000662525962 947888125 /nfs/dbraw/zinc/88/81/25/947888125.db2.gz NEQOCAYSSIFHFC-FGZHOGPDSA-N 1 3 363.505 3.564 20 0 FHADHO C[N@H+](Cc1ccccc1CNC(=O)C1(N)CC2(CCC2)C1)C1CCCCC1 ZINC000662694449 947984388 /nfs/dbraw/zinc/98/43/88/947984388.db2.gz WPJSCAOEGPOUNH-UHFFFAOYSA-N 1 3 369.553 3.729 20 0 FHADHO C[N@@H+](Cc1ccccc1CNC(=O)C1(N)CC2(CCC2)C1)C1CCCCC1 ZINC000662694449 947984395 /nfs/dbraw/zinc/98/43/95/947984395.db2.gz WPJSCAOEGPOUNH-UHFFFAOYSA-N 1 3 369.553 3.729 20 0 FHADHO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCN(C(C)C)C2)c2ccccc21 ZINC000549612264 948013682 /nfs/dbraw/zinc/01/36/82/948013682.db2.gz ULDPOHQBJCOVGA-DUXKGJEZSA-N 1 3 358.526 3.878 20 0 FHADHO COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H]2CCCN(CC3CC3)C2)cc1OC ZINC000663463657 948049829 /nfs/dbraw/zinc/04/98/29/948049829.db2.gz ASZFHNBNVBCFEL-ZIFCJYIRSA-N 1 3 360.542 3.907 20 0 FHADHO Cc1nccn1-c1ccc([C@H](C)NC[C@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000663469863 948063826 /nfs/dbraw/zinc/06/38/26/948063826.db2.gz RGKCXVAMOGKZIR-FXAWDEMLSA-N 1 3 352.526 3.953 20 0 FHADHO Cc1nccn1-c1ccc([C@H](C)NC[C@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663469863 948063833 /nfs/dbraw/zinc/06/38/33/948063833.db2.gz RGKCXVAMOGKZIR-FXAWDEMLSA-N 1 3 352.526 3.953 20 0 FHADHO CC[NH+](CC)CCC[C@H](C)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC001167826253 948129002 /nfs/dbraw/zinc/12/90/02/948129002.db2.gz NVHWLHYEZZAZQY-INIZCTEOSA-N 1 3 372.479 3.733 20 0 FHADHO C[C@@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000432409733 948353072 /nfs/dbraw/zinc/35/30/72/948353072.db2.gz IMBZIFBKHKNWRW-HZPDHXFCSA-N 1 3 374.447 3.779 20 0 FHADHO C[C@@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000432409733 948353077 /nfs/dbraw/zinc/35/30/77/948353077.db2.gz IMBZIFBKHKNWRW-HZPDHXFCSA-N 1 3 374.447 3.779 20 0 FHADHO COc1ccc2c(c1)[C@H](NCCC[N@@H+]1CCCO[C@H](C)C1)CCCS2 ZINC000432419204 948375101 /nfs/dbraw/zinc/37/51/01/948375101.db2.gz ZWEPRAYLXHUVBH-VQIMIIECSA-N 1 3 364.555 3.713 20 0 FHADHO COc1ccc2c(c1)[C@H](NCCC[N@H+]1CCCO[C@H](C)C1)CCCS2 ZINC000432419204 948375102 /nfs/dbraw/zinc/37/51/02/948375102.db2.gz ZWEPRAYLXHUVBH-VQIMIIECSA-N 1 3 364.555 3.713 20 0 FHADHO C[C@@H]1CC([NH2+][C@@H](CO)c2ccc(F)cc2)C[C@@H](C)N1Cc1ccccc1 ZINC001168004833 948412602 /nfs/dbraw/zinc/41/26/02/948412602.db2.gz AFKDNQFVVRGGDA-YVHKJVDXSA-N 1 3 356.485 3.890 20 0 FHADHO CN(CCC(=O)Nc1c(Cl)cccc1Cl)C[C@H]1CCC[N@H+](C)C1 ZINC000152374878 948425945 /nfs/dbraw/zinc/42/59/45/948425945.db2.gz UTMNUSLJTYVRIK-ZDUSSCGKSA-N 1 3 358.313 3.596 20 0 FHADHO CN(CCC(=O)Nc1c(Cl)cccc1Cl)C[C@H]1CCC[N@@H+](C)C1 ZINC000152374878 948425952 /nfs/dbraw/zinc/42/59/52/948425952.db2.gz UTMNUSLJTYVRIK-ZDUSSCGKSA-N 1 3 358.313 3.596 20 0 FHADHO C[C@@H]1C[NH+](CC2CCN(Cc3ccc(F)c4cccnc34)CC2)C[C@@H](C)O1 ZINC000110427344 209323713 /nfs/dbraw/zinc/32/37/13/209323713.db2.gz MGVSMJGBEFTEHU-IAGOWNOFSA-N 1 3 371.500 3.695 20 0 FHADHO CCOc1cc2nccc(N3CCC[C@H]([NH2+]C(C)C)C3)c2cc1OCC ZINC000603494165 568108012 /nfs/dbraw/zinc/10/80/12/568108012.db2.gz WOWUXOVGVFTKGB-INIZCTEOSA-N 1 3 357.498 3.999 20 0 FHADHO CCOc1cc2nccc(N3CCC[C@@H]([NH2+]C(C)C)C3)c2cc1OCC ZINC000603494166 568108020 /nfs/dbraw/zinc/10/80/20/568108020.db2.gz WOWUXOVGVFTKGB-MRXNPFEDSA-N 1 3 357.498 3.999 20 0 FHADHO CC(C)(C(=O)NCc1cccc(C[NH+]2CCCC2)c1)[C@@H](N)c1ccccc1 ZINC000563093038 568113719 /nfs/dbraw/zinc/11/37/19/568113719.db2.gz XKPKECWGMOWYBN-NRFANRHFSA-N 1 3 365.521 3.625 20 0 FHADHO CN1[C@@H]2CC[C@H]1CC([NH2+]C[C@H]1CCCN(C)[C@@H]1c1cccc(Cl)c1)C2 ZINC000365226334 568338898 /nfs/dbraw/zinc/33/88/98/568338898.db2.gz ZWGPUQVFNDFHRA-ZMWHVPEISA-N 1 3 361.961 3.938 20 0 FHADHO Cc1cc(C)nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165027681 721800730 /nfs/dbraw/zinc/80/07/30/721800730.db2.gz XGACAQNEJTUVTF-TYPHKJRUSA-N 1 3 350.510 3.830 20 0 FHADHO Cc1cc(C)nc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165027681 721800731 /nfs/dbraw/zinc/80/07/31/721800731.db2.gz XGACAQNEJTUVTF-TYPHKJRUSA-N 1 3 350.510 3.830 20 0 FHADHO C[NH+](C)Cc1ccnc(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)c1 ZINC001164995197 722210473 /nfs/dbraw/zinc/21/04/73/722210473.db2.gz HBTHSWUYRNCVCR-JOCHJYFZSA-N 1 3 368.500 3.527 20 0 FHADHO Cc1nc2ccccn2c1C[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000579696215 927111977 /nfs/dbraw/zinc/11/19/77/927111977.db2.gz HLQHYCGGEODTPC-SFTDATJTSA-N 1 3 360.505 3.597 20 0 FHADHO Cc1nc2ccccn2c1C[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000579696215 927111986 /nfs/dbraw/zinc/11/19/86/927111986.db2.gz HLQHYCGGEODTPC-SFTDATJTSA-N 1 3 360.505 3.597 20 0 FHADHO CC[NH+]1CCC(N2CCC(C(=O)NCCC3=CCCCCC3)CC2)CC1 ZINC000655001682 927807020 /nfs/dbraw/zinc/80/70/20/927807020.db2.gz GSBCRCCEHQYYJL-UHFFFAOYSA-N 1 3 361.574 3.580 20 0 FHADHO CCN1CCN(CCC[NH2+][C@H](c2ccccc2)c2ccc(C)cc2)CC1 ZINC000180109038 929376900 /nfs/dbraw/zinc/37/69/00/929376900.db2.gz JSUHUUXZNJZIHH-HSZRJFAPSA-N 1 3 351.538 3.702 20 0 FHADHO CCN1CCN(Cc2ccc(C[NH2+]Cc3ccc4cnccc4c3)cc2)CC1 ZINC000683765933 930085022 /nfs/dbraw/zinc/08/50/22/930085022.db2.gz KNXDZEFZRJLEDR-UHFFFAOYSA-N 1 3 374.532 3.662 20 0 FHADHO COc1ccc(C[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)c(C)c1OC ZINC000580297651 930449503 /nfs/dbraw/zinc/44/95/03/930449503.db2.gz SMYPGAFUMIAIJT-HXUWFJFHSA-N 1 3 368.521 3.666 20 0 FHADHO CCC[N@@H+]1CCC[C@H]1CN[C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000580475092 930721489 /nfs/dbraw/zinc/72/14/89/930721489.db2.gz CLVAHDHEYUZONR-GJZGRUSLSA-N 1 3 371.447 3.887 20 0 FHADHO CCC[N@H+]1CCC[C@H]1CN[C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000580475092 930721496 /nfs/dbraw/zinc/72/14/96/930721496.db2.gz CLVAHDHEYUZONR-GJZGRUSLSA-N 1 3 371.447 3.887 20 0 FHADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C[C@@H](N)c2ccccc2)CC1 ZINC000580895047 931310341 /nfs/dbraw/zinc/31/03/41/931310341.db2.gz PGDMEQATRLRSIZ-WIYYLYMNSA-N 1 3 357.542 3.580 20 0 FHADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)C[C@@H](N)c2ccccc2)CC1 ZINC000580895047 931310343 /nfs/dbraw/zinc/31/03/43/931310343.db2.gz PGDMEQATRLRSIZ-WIYYLYMNSA-N 1 3 357.542 3.580 20 0 FHADHO CC(C)N1CCN(CCC[N@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)CC1 ZINC000581178828 931643961 /nfs/dbraw/zinc/64/39/61/931643961.db2.gz ADCOLMARCDNGGU-NUNAXRQHSA-N 1 3 355.570 3.813 20 0 FHADHO CC(C)N1CCN(CCC[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)CC1 ZINC000581178828 931643965 /nfs/dbraw/zinc/64/39/65/931643965.db2.gz ADCOLMARCDNGGU-NUNAXRQHSA-N 1 3 355.570 3.813 20 0 FHADHO CC[C@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1cccc(C)c1 ZINC000581385752 931928163 /nfs/dbraw/zinc/92/81/63/931928163.db2.gz OBJRGBRUHKLRRP-QHCPKHFHSA-N 1 3 351.538 3.983 20 0 FHADHO CC[NH2+]CC1CCN([C@H](C)C(=O)N[C@H](C)c2cccc3ccccc32)CC1 ZINC000430583279 931957763 /nfs/dbraw/zinc/95/77/63/931957763.db2.gz XJMGZMULRUZDDW-QZTJIDSGSA-N 1 3 367.537 3.727 20 0 FHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCOc1cccc(Cl)c1Cl ZINC000581423593 932045334 /nfs/dbraw/zinc/04/53/34/932045334.db2.gz IBRKQPINFRITPC-LLVKDONJSA-N 1 3 354.281 3.885 20 0 FHADHO C[C@@H](NCc1ccc(F)c(C[NH+](C)C)c1)c1ccc(Br)cn1 ZINC000581523302 932204722 /nfs/dbraw/zinc/20/47/22/932204722.db2.gz CEICYGUOXIHUQY-GFCCVEGCSA-N 1 3 366.278 3.896 20 0 FHADHO c1ccc(CN2CC[C@@]3(C2)CCC[N@H+](Cc2cccc4nonc42)C3)cc1 ZINC001203143183 932291678 /nfs/dbraw/zinc/29/16/78/932291678.db2.gz SYAOTUJXNRYTAR-QFIPXVFZSA-N 1 3 362.477 3.711 20 0 FHADHO c1ccc(CN2CC[C@@]3(C2)CCC[N@@H+](Cc2cccc4nonc42)C3)cc1 ZINC001203143183 932291687 /nfs/dbraw/zinc/29/16/87/932291687.db2.gz SYAOTUJXNRYTAR-QFIPXVFZSA-N 1 3 362.477 3.711 20 0 FHADHO COc1ccc(CN2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1Br ZINC000656787014 932426017 /nfs/dbraw/zinc/42/60/17/932426017.db2.gz ZLTSMFUIOZJLQW-MRXNPFEDSA-N 1 3 367.331 3.669 20 0 FHADHO C[C@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2OC(F)F)CCN1C ZINC000090721362 933105566 /nfs/dbraw/zinc/10/55/66/933105566.db2.gz DUBZYVCZMMSBTC-GWCFXTLKSA-N 1 3 363.246 3.623 20 0 FHADHO CC(C)(C)c1nn(-c2ccccc2)cc1CN1CCC2(CC[NH2+]C2)CC1 ZINC000430930093 933424540 /nfs/dbraw/zinc/42/45/40/933424540.db2.gz RRFPWKCLSBWZBB-UHFFFAOYSA-N 1 3 352.526 3.745 20 0 FHADHO CC[C@@H](NC1CC[NH+](CC)CC1)c1ccc(I)cc1 ZINC000610797509 934286285 /nfs/dbraw/zinc/28/62/85/934286285.db2.gz LMIISYHHDIUUSP-MRXNPFEDSA-N 1 3 372.294 3.816 20 0 FHADHO C[C@H](c1nc(-c2ccccc2OCC[NH+](C)C)no1)N1[C@H](C)CC[C@H]1C ZINC000276998673 934432025 /nfs/dbraw/zinc/43/20/25/934432025.db2.gz YWNSJMJHDROFDM-BZUAXINKSA-N 1 3 358.486 3.611 20 0 FHADHO CC1CC[NH+](Cc2cccc(CNC(=O)C[C@@H](N)c3ccccc3)c2)CC1 ZINC000236638570 934756363 /nfs/dbraw/zinc/75/63/63/934756363.db2.gz WUDUHOVCCYEKKU-JOCHJYFZSA-N 1 3 365.521 3.625 20 0 FHADHO Cc1nccn1CCCN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000536487501 935085450 /nfs/dbraw/zinc/08/54/50/935085450.db2.gz CUDGESUQJZPUPG-UHFFFAOYSA-N 1 3 372.516 3.969 20 0 FHADHO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cccc(CN3CCCC3)c2)cc1 ZINC000152000354 935156351 /nfs/dbraw/zinc/15/63/51/935156351.db2.gz QSEKUKAPSQNNCL-QFIPXVFZSA-N 1 3 365.521 3.836 20 0 FHADHO C[C@H](N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1cccc(-n2ccnn2)c1 ZINC000582140532 935324577 /nfs/dbraw/zinc/32/45/77/935324577.db2.gz UWKPPBARSXMUJZ-JENIJYKNSA-N 1 3 353.514 3.571 20 0 FHADHO C[C@H](N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1cccc(-n2ccnn2)c1 ZINC000582140532 935324584 /nfs/dbraw/zinc/32/45/84/935324584.db2.gz UWKPPBARSXMUJZ-JENIJYKNSA-N 1 3 353.514 3.571 20 0 FHADHO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1)c1cccc(-n2ccnn2)c1 ZINC000582140532 935324591 /nfs/dbraw/zinc/32/45/91/935324591.db2.gz UWKPPBARSXMUJZ-JENIJYKNSA-N 1 3 353.514 3.571 20 0 FHADHO CC[NH+]1CCC(N2CCC(C(=O)NCC3(CC)CCCCC3)CC2)CC1 ZINC000582369531 935574104 /nfs/dbraw/zinc/57/41/04/935574104.db2.gz OLGAWLSWYRACQC-UHFFFAOYSA-N 1 3 363.590 3.659 20 0 FHADHO C[N@H+]1CC=C(CNCc2ccccc2OCc2ccc(F)cc2F)CC1 ZINC000657428011 935689093 /nfs/dbraw/zinc/68/90/93/935689093.db2.gz VEFUJPQQFUWAKC-UHFFFAOYSA-N 1 3 358.432 3.895 20 0 FHADHO C[N@@H+]1CC=C(CNCc2ccccc2OCc2ccc(F)cc2F)CC1 ZINC000657428011 935689100 /nfs/dbraw/zinc/68/91/00/935689100.db2.gz VEFUJPQQFUWAKC-UHFFFAOYSA-N 1 3 358.432 3.895 20 0 FHADHO Cc1ccc2cc(CNCc3ccccc3C[N@@H+]3CCC[C@@H]3CO)[nH]c2c1 ZINC000657430565 935720108 /nfs/dbraw/zinc/72/01/08/935720108.db2.gz RGYRSTYLTPSGID-JOCHJYFZSA-N 1 3 363.505 3.723 20 0 FHADHO Cc1ccc2cc(CNCc3ccccc3C[N@H+]3CCC[C@@H]3CO)[nH]c2c1 ZINC000657430565 935720112 /nfs/dbraw/zinc/72/01/12/935720112.db2.gz RGYRSTYLTPSGID-JOCHJYFZSA-N 1 3 363.505 3.723 20 0 FHADHO c1ccc(OCC2CC2)c(C[NH2+]CC2CCN(Cc3ccncc3)CC2)c1 ZINC000657613129 936093323 /nfs/dbraw/zinc/09/33/23/936093323.db2.gz WJBNCNIXLIBAIY-UHFFFAOYSA-N 1 3 365.521 3.872 20 0 FHADHO C[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2)[C@H]1CC1(C)C ZINC000582799734 936139683 /nfs/dbraw/zinc/13/96/83/936139683.db2.gz YBQREPYKSPBGHZ-CEWLAPEOSA-N 1 3 356.554 3.939 20 0 FHADHO OC[C@@H](CNC1CC[NH+](C2CCCCC2)CC1)c1ccc(Cl)cc1 ZINC000672619619 936201690 /nfs/dbraw/zinc/20/16/90/936201690.db2.gz ONJZBIPPJLSQMV-QGZVFWFLSA-N 1 3 350.934 3.803 20 0 FHADHO CN(C)c1ncc(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCC3)s1 ZINC000657773056 938314643 /nfs/dbraw/zinc/31/46/43/938314643.db2.gz YSISYFWKFAXTEY-GOSISDBHSA-N 1 3 370.566 3.601 20 0 FHADHO CCC[N@@H+]1CCC[C@H]1CN[C@@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000583646811 938336488 /nfs/dbraw/zinc/33/64/88/938336488.db2.gz MDADQIFGTMSCHU-WMZOPIPTSA-N 1 3 365.949 3.541 20 0 FHADHO CCC[N@H+]1CCC[C@H]1CN[C@@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000583646811 938336491 /nfs/dbraw/zinc/33/64/91/938336491.db2.gz MDADQIFGTMSCHU-WMZOPIPTSA-N 1 3 365.949 3.541 20 0 FHADHO Fc1cncc([C@@H]([NH2+]C[C@H]2CCN(CCc3ccccc3)C2)C2CC2)c1 ZINC000467353964 945177653 /nfs/dbraw/zinc/17/76/53/945177653.db2.gz BXHOWOCKHWUKPU-GCJKJVERSA-N 1 3 353.485 3.826 20 0 FHADHO CC[C@@H](CC(F)F)CN1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000660538306 945179931 /nfs/dbraw/zinc/17/99/31/945179931.db2.gz ONQHWDZIOAATIQ-AZUAARDMSA-N 1 3 365.512 3.560 20 0 FHADHO CC[C@@H](CC(F)F)CN1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000660538306 945179934 /nfs/dbraw/zinc/17/99/34/945179934.db2.gz ONQHWDZIOAATIQ-AZUAARDMSA-N 1 3 365.512 3.560 20 0 FHADHO CC(C)n1ncc2cc(CNCC3CC[NH+](C4CC4)CC3)c(Cl)nc21 ZINC000278547196 938523571 /nfs/dbraw/zinc/52/35/71/938523571.db2.gz YQBBEDAOYQBOHK-UHFFFAOYSA-N 1 3 361.921 3.630 20 0 FHADHO C[C@H](NCCC[NH+]1CCC(O)CC1)c1ccc(OCc2ccccc2)cc1 ZINC000151353088 938532750 /nfs/dbraw/zinc/53/27/50/938532750.db2.gz GOMGNTMRZJBLGY-IBGZPJMESA-N 1 3 368.521 3.763 20 0 FHADHO C[C@@H](NCCC[NH+]1CCC(O)CC1)c1ccc(Oc2ccccc2)cc1 ZINC000151373416 938537421 /nfs/dbraw/zinc/53/74/21/938537421.db2.gz NJSWLBRWDQAQNX-GOSISDBHSA-N 1 3 354.494 3.976 20 0 FHADHO CC(C)COc1ccc([C@H](C)[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000132992345 938553424 /nfs/dbraw/zinc/55/34/24/938553424.db2.gz IHKMYHRBWWEVGU-OALUTQOASA-N 1 3 360.542 3.873 20 0 FHADHO C[C@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000133168405 938563789 /nfs/dbraw/zinc/56/37/89/938563789.db2.gz FREBINOEYLDKAT-LSDHHAIUSA-N 1 3 372.431 3.737 20 0 FHADHO CCC[NH+]1CCN(c2ccccc2CNCc2cccc(COC)c2)CC1 ZINC000151540390 938567382 /nfs/dbraw/zinc/56/73/82/938567382.db2.gz BHOSSPRSCGWHAQ-UHFFFAOYSA-N 1 3 367.537 3.655 20 0 FHADHO CC(C)(C)N1CCC([NH2+]C2CCN(CCc3ccc(F)cc3)CC2)CC1 ZINC000089512797 938865106 /nfs/dbraw/zinc/86/51/06/938865106.db2.gz KDYHZVNXBCIDCQ-UHFFFAOYSA-N 1 3 361.549 3.685 20 0 FHADHO Fc1ccc(OCCNC2CC[NH+](CCc3ccccc3)CC2)cc1F ZINC000089552280 938865748 /nfs/dbraw/zinc/86/57/48/938865748.db2.gz KPLMTIQTSMTTCK-UHFFFAOYSA-N 1 3 360.448 3.640 20 0 FHADHO c1nc(-c2ccccn2)sc1C[N@@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000092067015 938910400 /nfs/dbraw/zinc/91/04/00/938910400.db2.gz BEAMWHXXHFCXGS-DNVCBOLYSA-N 1 3 354.523 3.654 20 0 FHADHO c1nc(-c2ccccn2)sc1C[N@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000092067015 938910402 /nfs/dbraw/zinc/91/04/02/938910402.db2.gz BEAMWHXXHFCXGS-DNVCBOLYSA-N 1 3 354.523 3.654 20 0 FHADHO C[C@@H](NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc2ccncc2s1 ZINC000657885713 938971157 /nfs/dbraw/zinc/97/11/57/938971157.db2.gz GZXYXOFSQFQMSE-IERDGZPVSA-N 1 3 367.518 3.584 20 0 FHADHO C[C@@H](NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cc2ccncc2s1 ZINC000657885713 938971159 /nfs/dbraw/zinc/97/11/59/938971159.db2.gz GZXYXOFSQFQMSE-IERDGZPVSA-N 1 3 367.518 3.584 20 0 FHADHO CCc1oc2ccccc2c1CN(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000685457842 938987994 /nfs/dbraw/zinc/98/79/94/938987994.db2.gz PRTRVBVOQVPVDN-SFHVURJKSA-N 1 3 355.526 3.596 20 0 FHADHO CCc1oc2ccccc2c1CN(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000685457842 938987995 /nfs/dbraw/zinc/98/79/95/938987995.db2.gz PRTRVBVOQVPVDN-SFHVURJKSA-N 1 3 355.526 3.596 20 0 FHADHO Cc1nc2c(s1)[C@H](N(C)Cc1ccc(OCC[NH+](C)C)cc1)CCC2 ZINC000093364876 938995338 /nfs/dbraw/zinc/99/53/38/938995338.db2.gz BQJKEBOCTQIMRZ-LJQANCHMSA-N 1 3 359.539 3.901 20 0 FHADHO CC(C)(O)c1ccc(CNC[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000382313941 938997686 /nfs/dbraw/zinc/99/76/86/938997686.db2.gz OVQCLONSZORNOR-OAQYLSRUSA-N 1 3 352.522 3.916 20 0 FHADHO CC(C)(O)c1ccc(CNC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000382313941 938997687 /nfs/dbraw/zinc/99/76/87/938997687.db2.gz OVQCLONSZORNOR-OAQYLSRUSA-N 1 3 352.522 3.916 20 0 FHADHO C[C@H](NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cc2ccncc2s1 ZINC000657925466 939007817 /nfs/dbraw/zinc/00/78/17/939007817.db2.gz NVGIBTCUKGELEX-WBAXXEDZSA-N 1 3 359.539 3.715 20 0 FHADHO C[C@@H](CN(C)CCC[NH+](C)C)N[C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000658108663 939028589 /nfs/dbraw/zinc/02/85/89/939028589.db2.gz OUSJDLYSABXJHK-IRXDYDNUSA-N 1 3 360.571 3.733 20 0 FHADHO CC1(C)Cc2occc2[C@H](NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)C1 ZINC000658138348 939042231 /nfs/dbraw/zinc/04/22/31/939042231.db2.gz JFTFSMOQGLDGFU-UYAOXDASSA-N 1 3 354.494 3.650 20 0 FHADHO CC1(C)Cc2occc2[C@H](NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)C1 ZINC000658138348 939042233 /nfs/dbraw/zinc/04/22/33/939042233.db2.gz JFTFSMOQGLDGFU-UYAOXDASSA-N 1 3 354.494 3.650 20 0 FHADHO C[C@H](NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1nccc2ccccc21 ZINC000658138107 939042421 /nfs/dbraw/zinc/04/24/21/939042421.db2.gz MSJDGFUHFVZMCJ-LAUBAEHRSA-N 1 3 361.489 3.652 20 0 FHADHO C[C@H](NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1nccc2ccccc21 ZINC000658138107 939042426 /nfs/dbraw/zinc/04/24/26/939042426.db2.gz MSJDGFUHFVZMCJ-LAUBAEHRSA-N 1 3 361.489 3.652 20 0 FHADHO c1ccc2c(c1)[nH]c1c2C[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC000658165368 939053575 /nfs/dbraw/zinc/05/35/75/939053575.db2.gz IXTKVTDKHAHQNL-IBGZPJMESA-N 1 3 360.505 3.532 20 0 FHADHO Oc1ccc2c(c1)[C@@H]([NH2+]CC1CCN(Cc3ccncc3)CC1)CCC2 ZINC000658165300 939053792 /nfs/dbraw/zinc/05/37/92/939053792.db2.gz IIDMPARBQZRTRF-QFIPXVFZSA-N 1 3 351.494 3.666 20 0 FHADHO CC(=O)Nc1ccc([C@@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1 ZINC000658166240 939054219 /nfs/dbraw/zinc/05/42/19/939054219.db2.gz NFSDYZMLMFITQG-QGZVFWFLSA-N 1 3 366.509 3.603 20 0 FHADHO C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccccc1N(C)C ZINC000658168356 939055379 /nfs/dbraw/zinc/05/53/79/939055379.db2.gz WFQNQMRXJWDOJS-SFHVURJKSA-N 1 3 352.526 3.710 20 0 FHADHO CC(C)N1CCN(CCC[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000511828529 945225079 /nfs/dbraw/zinc/22/50/79/945225079.db2.gz YESCAEPZHVBEFG-ZRBLBEILSA-N 1 3 355.570 3.671 20 0 FHADHO CC(C)N1CCN(CCC[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000511828529 945225090 /nfs/dbraw/zinc/22/50/90/945225090.db2.gz YESCAEPZHVBEFG-ZRBLBEILSA-N 1 3 355.570 3.671 20 0 FHADHO Cn1ncc2c1CCC[C@H]2[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000658319444 939111208 /nfs/dbraw/zinc/11/12/08/939111208.db2.gz AWBXWBOIGIYVEY-PZJWPPBQSA-N 1 3 364.537 3.689 20 0 FHADHO CC[C@H]([NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21)c1c(C)nn(C)c1C ZINC000507493362 945278311 /nfs/dbraw/zinc/27/83/11/945278311.db2.gz HLGJFFHKWCWSKK-LNRXMEIDSA-N 1 3 366.553 3.988 20 0 FHADHO CC[C@H]([NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21)c1c(C)nn(C)c1C ZINC000507493365 945278261 /nfs/dbraw/zinc/27/82/61/945278261.db2.gz HLGJFFHKWCWSKK-MYGLTJDJSA-N 1 3 366.553 3.988 20 0 FHADHO CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@@H]2c2cccn2C)CC1 ZINC000506040040 945281460 /nfs/dbraw/zinc/28/14/60/945281460.db2.gz HDKMRIXNZVQUEU-JOCHJYFZSA-N 1 3 352.526 3.504 20 0 FHADHO CCN1CCN(c2ccccc2C[N@H+]2CCC[C@@H]2c2cccn2C)CC1 ZINC000506040040 945281467 /nfs/dbraw/zinc/28/14/67/945281467.db2.gz HDKMRIXNZVQUEU-JOCHJYFZSA-N 1 3 352.526 3.504 20 0 FHADHO c1[nH]c2ncccc2c1CC[NH2+][C@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000507508245 945287722 /nfs/dbraw/zinc/28/77/22/945287722.db2.gz JHQSITUYCKCNHE-NNWRFLSQSA-N 1 3 360.505 3.606 20 0 FHADHO Cc1ccc(N2CCC([NH2+]C3CCN(C4CCCCC4)CC3)CC2)nc1 ZINC000163451249 940052486 /nfs/dbraw/zinc/05/24/86/940052486.db2.gz ZNDNBOPQOMITGO-UHFFFAOYSA-N 1 3 356.558 3.746 20 0 FHADHO C[C@H](CCO)C1(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCC1 ZINC000507536270 945295540 /nfs/dbraw/zinc/29/55/40/945295540.db2.gz WLXJOJWILQQYKX-FVTFTPSCSA-N 1 3 356.554 3.675 20 0 FHADHO Cc1cc(C[NH2+]C2CCN([C@H]3CCCC[C@H]3O)CC2)ccc1C(F)(F)F ZINC000414380827 941073375 /nfs/dbraw/zinc/07/33/75/941073375.db2.gz OXBKQZMRKWGCEU-RBUKOAKNSA-N 1 3 370.459 3.871 20 0 FHADHO CC(C)(C)OC(=O)NC1(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCCCC1 ZINC000166491094 941246713 /nfs/dbraw/zinc/24/67/13/941246713.db2.gz IETCVXDZRMNNGP-ZWKOTPCHSA-N 1 3 365.562 3.821 20 0 FHADHO CC(C)(C)OC(=O)NC1(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)CCCCCC1 ZINC000166491094 941246719 /nfs/dbraw/zinc/24/67/19/941246719.db2.gz IETCVXDZRMNNGP-ZWKOTPCHSA-N 1 3 365.562 3.821 20 0 FHADHO [NH3+][C@@H]1CCO[C@H](C2CCN(Cc3c(Cl)ccc4cccnc43)CC2)C1 ZINC000415127782 941622696 /nfs/dbraw/zinc/62/26/96/941622696.db2.gz RGMUOVYZUKFZCD-APWZRJJASA-N 1 3 359.901 3.607 20 0 FHADHO COCCOCc1ccc(CNC[C@@H]2CC[N@H+](C)[C@@H]2c2cccs2)cc1 ZINC000377404231 941698151 /nfs/dbraw/zinc/69/81/51/941698151.db2.gz PMBPOKWZSZNWHW-FPOVZHCZSA-N 1 3 374.550 3.694 20 0 FHADHO COCCOCc1ccc(CNC[C@@H]2CC[N@@H+](C)[C@@H]2c2cccs2)cc1 ZINC000377404231 941698154 /nfs/dbraw/zinc/69/81/54/941698154.db2.gz PMBPOKWZSZNWHW-FPOVZHCZSA-N 1 3 374.550 3.694 20 0 FHADHO Cc1noc2ncc(C[NH2+]C[C@@H]3CCCN(Cc4ccccc4)C3)cc12 ZINC000894209175 941707993 /nfs/dbraw/zinc/70/79/93/941707993.db2.gz PHQMDDXRZRWLJK-SFHVURJKSA-N 1 3 350.466 3.533 20 0 FHADHO FC(F)(F)c1ccccc1OCCN1CCC(C[NH+]2CCCC2)CC1 ZINC000215953310 941858494 /nfs/dbraw/zinc/85/84/94/941858494.db2.gz UIWNAEFNUJBKNK-UHFFFAOYSA-N 1 3 356.432 3.892 20 0 FHADHO COc1cc([C@@H](C)N(C)C2CC[NH+](CCc3ccncc3)CC2)ccc1F ZINC000377926736 942071789 /nfs/dbraw/zinc/07/17/89/942071789.db2.gz YCJFZZYWGSQUIJ-QGZVFWFLSA-N 1 3 371.500 3.929 20 0 FHADHO CC[NH2+]Cc1cccc(NC(=O)N2CCN(CC3CCCCC3)CC2)c1 ZINC000415911888 942146368 /nfs/dbraw/zinc/14/63/68/942146368.db2.gz ZBUJDQAZWVHSBY-UHFFFAOYSA-N 1 3 358.530 3.526 20 0 FHADHO Cc1cccc(O[C@@H]2CCCC[C@@H]2[NH2+]CCCN2CCN(C(C)C)CC2)c1 ZINC000502008366 942166360 /nfs/dbraw/zinc/16/63/60/942166360.db2.gz OEPXBWJFQBCWNL-XZOQPEGZSA-N 1 3 373.585 3.691 20 0 FHADHO CC[NH2+]Cc1ccccc1NC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000415929614 942166735 /nfs/dbraw/zinc/16/67/35/942166735.db2.gz ILBGWTYVSLHMLX-LJQANCHMSA-N 1 3 374.916 3.874 20 0 FHADHO CCN(C(=O)Nc1cccc(C[NH2+]C)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000415939142 942170197 /nfs/dbraw/zinc/17/01/97/942170197.db2.gz ZZNVXCBISQPRHI-NRFANRHFSA-N 1 3 366.509 3.534 20 0 FHADHO CCN(C(=O)Nc1ccc(C[NH2+]C)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000415984155 942232892 /nfs/dbraw/zinc/23/28/92/942232892.db2.gz OWPTVRJRDHFBPP-OAQYLSRUSA-N 1 3 366.509 3.534 20 0 FHADHO CC[C@H](c1ccc(F)cc1F)N1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000420986435 942282586 /nfs/dbraw/zinc/28/25/86/942282586.db2.gz YKEDVWQOUGDSID-OAQYLSRUSA-N 1 3 365.512 3.908 20 0 FHADHO CC[C@H](c1ccc(F)cc1F)N1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000420986435 942282590 /nfs/dbraw/zinc/28/25/90/942282590.db2.gz YKEDVWQOUGDSID-OAQYLSRUSA-N 1 3 365.512 3.908 20 0 FHADHO CC[C@H](c1ccc(F)cc1F)N1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420986435 942282594 /nfs/dbraw/zinc/28/25/94/942282594.db2.gz YKEDVWQOUGDSID-OAQYLSRUSA-N 1 3 365.512 3.908 20 0 FHADHO CC(C)N1CCC([NH2+][C@@H]2CCOc3c(Br)cccc32)CC1 ZINC000502309043 942358289 /nfs/dbraw/zinc/35/82/89/942358289.db2.gz IJMSEQQMIBVFMK-MRXNPFEDSA-N 1 3 353.304 3.735 20 0 FHADHO COc1cc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)ccc1OC1CCCC1 ZINC000513712239 942413121 /nfs/dbraw/zinc/41/31/21/942413121.db2.gz AYZXVFOIAOIAGY-XUVXKRRUSA-N 1 3 358.526 3.979 20 0 FHADHO COc1cc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)ccc1OC1CCCC1 ZINC000513712239 942413123 /nfs/dbraw/zinc/41/31/23/942413123.db2.gz AYZXVFOIAOIAGY-XUVXKRRUSA-N 1 3 358.526 3.979 20 0 FHADHO COc1cc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)ccc1OC1CCCC1 ZINC000513712239 942413129 /nfs/dbraw/zinc/41/31/29/942413129.db2.gz AYZXVFOIAOIAGY-XUVXKRRUSA-N 1 3 358.526 3.979 20 0 FHADHO CCCC(C)(C)N(CC(=O)NC1CC[NH+](CC)CC1)Cc1cccs1 ZINC000549410032 942508017 /nfs/dbraw/zinc/50/80/17/942508017.db2.gz SCTOCQBVNWKQTE-UHFFFAOYSA-N 1 3 365.587 3.729 20 0 FHADHO COc1ccc(OC)c(C[N@@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)c1 ZINC000395804021 942536631 /nfs/dbraw/zinc/53/66/31/942536631.db2.gz CDYSBMJLDIIWJH-FPOVZHCZSA-N 1 3 366.505 3.658 20 0 FHADHO COc1ccc(OC)c(C[N@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)c1 ZINC000395804021 942536634 /nfs/dbraw/zinc/53/66/34/942536634.db2.gz CDYSBMJLDIIWJH-FPOVZHCZSA-N 1 3 366.505 3.658 20 0 FHADHO COc1ccc([C@H](C[NH3+])CN2CCC[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000420302355 942611265 /nfs/dbraw/zinc/61/12/65/942611265.db2.gz JSNZCQMQGUPUPP-QUCCMNQESA-N 1 3 370.493 3.592 20 0 FHADHO COc1ccc([C@@H](C[NH3+])CN[C@@H](C)c2ccc(OC(F)F)cc2)cc1 ZINC000420378672 942645210 /nfs/dbraw/zinc/64/52/10/942645210.db2.gz UOIZSSNRBSJPGA-BBRMVZONSA-N 1 3 350.409 3.690 20 0 FHADHO COc1ccc([C@H](C[NH3+])CN[C@H](C)c2ccc(OC(F)F)cc2)cc1 ZINC000420378738 942646244 /nfs/dbraw/zinc/64/62/44/942646244.db2.gz UOIZSSNRBSJPGA-CZUORRHYSA-N 1 3 350.409 3.690 20 0 FHADHO C[C@H](c1ccccc1Br)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420378291 942646279 /nfs/dbraw/zinc/64/62/79/942646279.db2.gz LZCCMUIPEYCLMB-JEBQAFNWSA-N 1 3 367.331 3.728 20 0 FHADHO C[C@H](c1ccccc1Br)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000420388529 942650643 /nfs/dbraw/zinc/65/06/43/942650643.db2.gz LDGAXBHEJGZLRH-SIIHOXLZSA-N 1 3 367.331 3.728 20 0 FHADHO CC(=O)c1c(C)cc(C)c(CN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c1C ZINC000420388158 942651143 /nfs/dbraw/zinc/65/11/43/942651143.db2.gz WWZKNZSPRAFQCX-UNMCSNQZSA-N 1 3 358.526 3.533 20 0 FHADHO COc1ccc([C@H](C[NH3+])CN[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000420395484 942653676 /nfs/dbraw/zinc/65/36/76/942653676.db2.gz DLJGKQZBUMPMTR-LSTHTHJFSA-N 1 3 360.885 3.511 20 0 FHADHO CC[NH+](CC)CCOc1ccc(-c2noc(C34CCCN3CCC4)n2)cc1 ZINC000420478512 942707872 /nfs/dbraw/zinc/70/78/72/942707872.db2.gz PTDFAWJYDCVBNZ-UHFFFAOYSA-N 1 3 370.497 3.542 20 0 FHADHO CO[C@H](CN[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C)c1cccc(Cl)c1 ZINC000378405666 942732155 /nfs/dbraw/zinc/73/21/55/942732155.db2.gz SAVJAEMZWFJMJR-YGWPLHOASA-N 1 3 366.933 3.507 20 0 FHADHO CO[C@H](CN[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C)c1cccc(Cl)c1 ZINC000378405666 942732161 /nfs/dbraw/zinc/73/21/61/942732161.db2.gz SAVJAEMZWFJMJR-YGWPLHOASA-N 1 3 366.933 3.507 20 0 FHADHO Cc1nccn1CCCC[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000502868772 942815204 /nfs/dbraw/zinc/81/52/04/942815204.db2.gz JVMNWHHNGJDWEJ-HSZRJFAPSA-N 1 3 366.553 3.960 20 0 FHADHO Cc1nccn1CCCC[N@H+]1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000502868772 942815208 /nfs/dbraw/zinc/81/52/08/942815208.db2.gz JVMNWHHNGJDWEJ-HSZRJFAPSA-N 1 3 366.553 3.960 20 0 FHADHO Cc1ccn2c(CN3CCC(C[N@@H+](C)Cc4ccccc4)CC3)cnc2c1 ZINC000513759766 942857342 /nfs/dbraw/zinc/85/73/42/942857342.db2.gz GNSWBLRSYXJGRM-UHFFFAOYSA-N 1 3 362.521 3.987 20 0 FHADHO Cc1ccn2c(CN3CCC(C[N@H+](C)Cc4ccccc4)CC3)cnc2c1 ZINC000513759766 942857346 /nfs/dbraw/zinc/85/73/46/942857346.db2.gz GNSWBLRSYXJGRM-UHFFFAOYSA-N 1 3 362.521 3.987 20 0 FHADHO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)N[C@@H](C[NH3+])C1CCCCC1 ZINC000414856994 943031531 /nfs/dbraw/zinc/03/15/31/943031531.db2.gz ZYWOTRSGDJTPCG-GUYCJALGSA-N 1 3 371.447 3.920 20 0 FHADHO N[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ccccc3Br)C2)c2ccccc21 ZINC000422710559 943244057 /nfs/dbraw/zinc/24/40/57/943244057.db2.gz LLWLYWXZTBTUOW-XWIAVFTESA-N 1 3 372.310 3.762 20 0 FHADHO COCCSc1ccc([C@@H](C)N[C@@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000422712930 943244966 /nfs/dbraw/zinc/24/49/66/943244966.db2.gz IYQRRXUJALTBEB-CABCVRRESA-N 1 3 359.539 3.999 20 0 FHADHO CCOc1ccccc1Oc1ccc(CN[C@@H]2CCCC[C@H]2C[NH3+])cn1 ZINC000422690787 943245800 /nfs/dbraw/zinc/24/58/00/943245800.db2.gz GWRVWJOIEQFWKC-ZWKOTPCHSA-N 1 3 355.482 3.880 20 0 FHADHO C[C@H](O)c1ccc(CNC2CC[NH+](CCc3ccc(F)cc3)CC2)cc1 ZINC000272942750 943248102 /nfs/dbraw/zinc/24/81/02/943248102.db2.gz MLVSXTQYVLGLJT-KRWDZBQOSA-N 1 3 356.485 3.676 20 0 FHADHO CC[C@H](N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(OC)cc1 ZINC000422753780 943272753 /nfs/dbraw/zinc/27/27/53/943272753.db2.gz DEVAYKQWFLASBL-TUNNFDKTSA-N 1 3 352.478 3.992 20 0 FHADHO CCOC(=O)C1([C@H](C)N[C@@H](C)c2cccc(Cl)c2Cl)CC[NH2+]CC1 ZINC000422754886 943274007 /nfs/dbraw/zinc/27/40/07/943274007.db2.gz GGTODWGUWMMZIE-STQMWFEESA-N 1 3 373.324 3.965 20 0 FHADHO CCOc1ccc(CC[NH2+][C@H](C)c2ccc(CN)nc2C)cc1OCC ZINC000422768493 943276080 /nfs/dbraw/zinc/27/60/80/943276080.db2.gz TVPBEVXTUAXPRT-OAHLLOKOSA-N 1 3 357.498 3.539 20 0 FHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCc1csc(-c2ccccc2)n1 ZINC000422795245 943285805 /nfs/dbraw/zinc/28/58/05/943285805.db2.gz ZXZZXDWGPYSPQZ-AWEZNQCLSA-N 1 3 352.507 3.866 20 0 FHADHO C[C@H](c1ccc(-c2ccccc2)cc1)[N@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414696291 943300353 /nfs/dbraw/zinc/30/03/53/943300353.db2.gz HDVXNAQLYKIQBC-RTBURBONSA-N 1 3 365.521 3.544 20 0 FHADHO C[C@H](c1ccc(-c2ccccc2)cc1)[N@@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414696291 943300357 /nfs/dbraw/zinc/30/03/57/943300357.db2.gz HDVXNAQLYKIQBC-RTBURBONSA-N 1 3 365.521 3.544 20 0 FHADHO Cc1c(Cl)cccc1NC(=O)CCN[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000422857057 943307513 /nfs/dbraw/zinc/30/75/13/943307513.db2.gz GODXGLSZFBDWMM-GDBMZVCRSA-N 1 3 351.922 3.877 20 0 FHADHO NC[C@@H]1CCC[C@H]1[NH2+]CC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000422877244 943313445 /nfs/dbraw/zinc/31/34/45/943313445.db2.gz HMEDQUYWKIPEHG-SUMWQHHRSA-N 1 3 357.325 3.759 20 0 FHADHO CCOc1ccc(C2(CN[C@@H]3C[C@@H]([NH3+])c4ccccc43)CCOCC2)cc1 ZINC000422883719 943316940 /nfs/dbraw/zinc/31/69/40/943316940.db2.gz VKUPPWLIDREZTA-FGZHOGPDSA-N 1 3 366.505 3.868 20 0 FHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H](C(C)C)N1CCc2ccccc2C1 ZINC000422937022 943337484 /nfs/dbraw/zinc/33/74/84/943337484.db2.gz IZAIREYQRQAUSX-SBUREZEXSA-N 1 3 366.553 3.582 20 0 FHADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H]1CCc2cc(Br)ccc21 ZINC000422939424 943339254 /nfs/dbraw/zinc/33/92/54/943339254.db2.gz RLZJIFUUTNCSGM-KPZWWZAWSA-N 1 3 360.299 3.949 20 0 FHADHO COc1ccc([C@@H]2CCCN2Cc2ccc3c(c2)C[NH2+]CC3)cc1OC ZINC000514867076 943348586 /nfs/dbraw/zinc/34/85/86/943348586.db2.gz IOFMGDCJPMGBKP-FQEVSTJZSA-N 1 3 352.478 3.687 20 0 FHADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@@H]1CCc2c1cccc2Br ZINC000422958102 943349392 /nfs/dbraw/zinc/34/93/92/943349392.db2.gz OOQUNBJSKHZFDA-KZULUSFZSA-N 1 3 360.299 3.949 20 0 FHADHO CCN(CC)[C@H](CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccco1 ZINC000422973356 943355180 /nfs/dbraw/zinc/35/51/80/943355180.db2.gz ODNDUMBGBFUGQW-NNMXDRDESA-N 1 3 369.509 3.508 20 0 FHADHO Cc1nc(C[NH3+])ccc1[C@H](C)NCc1cccc(COCC(F)(F)F)c1 ZINC000423002858 943361479 /nfs/dbraw/zinc/36/14/79/943361479.db2.gz KBDPTAQRPYLUJO-ZDUSSCGKSA-N 1 3 367.415 3.778 20 0 FHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000423009763 943363736 /nfs/dbraw/zinc/36/37/36/943363736.db2.gz DTWFNFWZKUAVMJ-VHKYSDTDSA-N 1 3 358.917 3.598 20 0 FHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000423022514 943367422 /nfs/dbraw/zinc/36/74/22/943367422.db2.gz HYJNUSGNQZVXIW-HIFRSBDPSA-N 1 3 362.880 3.571 20 0 FHADHO CCCOC[C@H](Cc1cccc(Br)c1)N[C@@H](C)C[C@H](C)[NH3+] ZINC000423047871 943368505 /nfs/dbraw/zinc/36/85/05/943368505.db2.gz HJHGWFUYHVRLNA-ZQIUZPCESA-N 1 3 357.336 3.502 20 0 FHADHO C[C@H]([NH3+])C[C@H](C)NCCOc1c(Cl)cc(Br)cc1Cl ZINC000423023664 943369845 /nfs/dbraw/zinc/36/98/45/943369845.db2.gz HZKVXWAFWPYLAS-IUCAKERBSA-N 1 3 370.118 3.850 20 0 FHADHO C[NH2+]CC1CCN(Cc2ccc(OCc3cccs3)c(OC)c2)CC1 ZINC000435384848 943371644 /nfs/dbraw/zinc/37/16/44/943371644.db2.gz OCHOAKFQVWHXMG-UHFFFAOYSA-N 1 3 360.523 3.767 20 0 FHADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000423036957 943372998 /nfs/dbraw/zinc/37/29/98/943372998.db2.gz AYIYOAOXBJVPPP-NBQZKYEYSA-N 1 3 361.892 3.606 20 0 FHADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000423036961 943373161 /nfs/dbraw/zinc/37/31/61/943373161.db2.gz AYIYOAOXBJVPPP-UVFQYZLESA-N 1 3 361.892 3.606 20 0 FHADHO NC[C@@H]1CCC[C@@H]1[NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000423036311 943373276 /nfs/dbraw/zinc/37/32/76/943373276.db2.gz TWDIMPGRMSCUJO-KSSFIOAISA-N 1 3 356.341 3.675 20 0 FHADHO Cc1cc(CN2CCC[C@H]([C@H](C)[NH3+])C2)cc(C)c1OCc1ccccn1 ZINC000435387359 943374188 /nfs/dbraw/zinc/37/41/88/943374188.db2.gz ZWIVIXUBVPNAKJ-ICSRJNTNSA-N 1 3 353.510 3.837 20 0 FHADHO FC(F)(F)c1ccccc1N1CC[C@H](N[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000423057811 943377676 /nfs/dbraw/zinc/37/76/76/943377676.db2.gz AWLALGXKMZSAMO-BURFUSLBSA-N 1 3 367.459 3.794 20 0 FHADHO Fc1ccc(C2(CN[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)CCCC2)c(F)c1 ZINC000423062581 943379436 /nfs/dbraw/zinc/37/94/36/943379436.db2.gz NFGYHJVFLSMUAJ-PWIZWCRZSA-N 1 3 364.480 3.523 20 0 FHADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCC1(c2c(Cl)cccc2Cl)CCC1 ZINC000423084193 943388167 /nfs/dbraw/zinc/38/81/67/943388167.db2.gz HPDAYGAOGHEUNE-XEZPLFJOSA-N 1 3 357.325 3.757 20 0 FHADHO N[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3cccc(Br)c3)C2)c2ccccc21 ZINC000423088925 943390714 /nfs/dbraw/zinc/39/07/14/943390714.db2.gz RHKJVMHKHHAANZ-NIKGAXFTSA-N 1 3 372.310 3.762 20 0 FHADHO CC(C)Oc1ccc([C@H](CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)N(C)C)cc1 ZINC000423122961 943398019 /nfs/dbraw/zinc/39/80/19/943398019.db2.gz KJZJKJPOYHKSQU-GPJHCHHRSA-N 1 3 373.585 3.977 20 0 FHADHO c1cc(CN(Cc2ccc3c[nH]nc3c2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000435426643 943405847 /nfs/dbraw/zinc/40/58/47/943405847.db2.gz JHGBJTPXMQOWDC-IBGZPJMESA-N 1 3 352.507 3.769 20 0 FHADHO COC[C@H](CCC[NH3+])N[C@@H](Cc1ccccc1)c1nc2ccccc2s1 ZINC000423155719 943412189 /nfs/dbraw/zinc/41/21/89/943412189.db2.gz LNMQHTLCDXWJOZ-HKUYNNGSSA-N 1 3 369.534 3.924 20 0 FHADHO c1nc(SC2CCCC2)ncc1CCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423138505 943416117 /nfs/dbraw/zinc/41/61/17/943416117.db2.gz TUDJUQNWSRQAIO-GUDVDZBRSA-N 1 3 360.571 3.564 20 0 FHADHO COCCC[C@H](NC[C@@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000423215054 943445843 /nfs/dbraw/zinc/44/58/43/943445843.db2.gz QCDQUUYACSULTI-PBHICJAKSA-N 1 3 355.320 3.506 20 0 FHADHO Brc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC[C@@H]1CCC[NH2+]C1 ZINC000423220054 943448461 /nfs/dbraw/zinc/44/84/61/943448461.db2.gz XVEHUGCOCDDUDY-SJKOYZFVSA-N 1 3 362.315 3.897 20 0 FHADHO C[C@H](CCCc1cccnc1)[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000423473728 943525494 /nfs/dbraw/zinc/52/54/94/943525494.db2.gz NVUUIEVAKKKXGF-PIPMEXSNSA-N 1 3 355.501 3.915 20 0 FHADHO Cn1nccc1[C@H]1CCC[C@H]([NH2+]C[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)C1 ZINC000423482501 943529002 /nfs/dbraw/zinc/52/90/02/943529002.db2.gz XWOXEMUZJOJLGV-JYAXBFRTSA-N 1 3 370.516 3.568 20 0 FHADHO CCc1ccccc1[C@H]([NH3+])CN[C@H](CCn1cncn1)c1ccc(C)cc1 ZINC000423499300 943529695 /nfs/dbraw/zinc/52/96/95/943529695.db2.gz JJMSOIFURDWXCQ-FGZHOGPDSA-N 1 3 363.509 3.570 20 0 FHADHO COc1cc(C)c(C[C@@H](C)[NH2+]CC2(N)C3CC4CC(C3)CC2C4)cc1OC ZINC000423517232 943543330 /nfs/dbraw/zinc/54/33/30/943543330.db2.gz BHXSBKOVBULHIE-WCIFCTNGSA-N 1 3 372.553 3.686 20 0 FHADHO CCCN(CC(=O)NC1CC[NH+](C(C)C)CC1)[C@H](CC)c1ccccc1 ZINC000511636504 943706298 /nfs/dbraw/zinc/70/62/98/943706298.db2.gz WVAHXPFFHJQQSX-OAQYLSRUSA-N 1 3 359.558 3.839 20 0 FHADHO CCOc1cc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)ccc1OCC(F)(F)F ZINC000584839579 943737971 /nfs/dbraw/zinc/73/79/71/943737971.db2.gz RCWBKOCHDGVUAY-HRCADAONSA-N 1 3 372.431 3.586 20 0 FHADHO COc1cccc(C[C@@H](C)[NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)n1 ZINC000584869024 943821974 /nfs/dbraw/zinc/82/19/74/943821974.db2.gz RXCCSBUKWNIQEM-TZIWHRDSSA-N 1 3 367.537 3.913 20 0 FHADHO C[C@@H]1CC2(CN1CC(=O)Nc1ccccc1-c1ccccc1)CC[NH2+]CC2 ZINC000424298116 943826346 /nfs/dbraw/zinc/82/63/46/943826346.db2.gz TXXIJYBTWTVVHJ-GOSISDBHSA-N 1 3 363.505 3.756 20 0 FHADHO C[C@@H]1C[N@H+](CCCN[C@H](Cc2ccncc2)c2cccs2)CCCO1 ZINC000424279027 943833931 /nfs/dbraw/zinc/83/39/31/943833931.db2.gz JWEPIDZNDRBXRT-IEBWSBKVSA-N 1 3 359.539 3.517 20 0 FHADHO C[C@@H]1C[N@@H+](CCCN[C@H](Cc2ccncc2)c2cccs2)CCCO1 ZINC000424279027 943833935 /nfs/dbraw/zinc/83/39/35/943833935.db2.gz JWEPIDZNDRBXRT-IEBWSBKVSA-N 1 3 359.539 3.517 20 0 FHADHO CCOCCC[N@@H+]1CC[C@@H](NCCSc2ccc(F)cc2F)[C@@H](C)C1 ZINC000660305043 943932650 /nfs/dbraw/zinc/93/26/50/943932650.db2.gz JQRRMIPWKZYDQZ-MAUKXSAKSA-N 1 3 372.525 3.784 20 0 FHADHO CCOCCC[N@H+]1CC[C@@H](NCCSc2ccc(F)cc2F)[C@@H](C)C1 ZINC000660305043 943932653 /nfs/dbraw/zinc/93/26/53/943932653.db2.gz JQRRMIPWKZYDQZ-MAUKXSAKSA-N 1 3 372.525 3.784 20 0 FHADHO CCOc1cc(CN[C@@H]2CCCC[C@H]2C[NH3+])ccc1OCC(F)(F)F ZINC000414794936 943971423 /nfs/dbraw/zinc/97/14/23/943971423.db2.gz GGZXRWIENQELSE-LSDHHAIUSA-N 1 3 360.420 3.634 20 0 FHADHO CCC([NH3+])(CC)CNC1CCN(Cc2ccccc2Br)CC1 ZINC000414803001 944018592 /nfs/dbraw/zinc/01/85/92/944018592.db2.gz CHXPYLWENFEYPA-UHFFFAOYSA-N 1 3 368.363 3.521 20 0 FHADHO CCC(N)(CC)C[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000414803001 944018600 /nfs/dbraw/zinc/01/86/00/944018600.db2.gz CHXPYLWENFEYPA-UHFFFAOYSA-N 1 3 368.363 3.521 20 0 FHADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000436281966 944161862 /nfs/dbraw/zinc/16/18/62/944161862.db2.gz HTUWDGCWVRZURO-LLVBAIKDSA-N 1 3 370.537 3.609 20 0 FHADHO COCCC1(C[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)CCCCC1 ZINC000436272103 944170805 /nfs/dbraw/zinc/17/08/05/944170805.db2.gz FTDWYHNAEBADRP-UHFFFAOYSA-N 1 3 373.585 3.511 20 0 FHADHO C[C@H](C[NH2+][C@H](C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1)CN(C)C ZINC000425920209 944173058 /nfs/dbraw/zinc/17/30/58/944173058.db2.gz JYFYUZAXWLSWDP-NUJGCVRESA-N 1 3 352.494 3.622 20 0 FHADHO CCN1CCN(CCC[NH2+]Cc2ccc(Oc3ccc(F)cc3)cc2)CC1 ZINC000518307849 944269557 /nfs/dbraw/zinc/26/95/57/944269557.db2.gz AQJWSZKEAQHLQK-UHFFFAOYSA-N 1 3 371.500 3.735 20 0 FHADHO C[NH+](C)CCN(C(=O)c1cccc(CN2CCCC2)c1)C1CCCCC1 ZINC000518427728 944372719 /nfs/dbraw/zinc/37/27/19/944372719.db2.gz FLYSBFGBAYOISD-UHFFFAOYSA-N 1 3 357.542 3.619 20 0 FHADHO Cc1cc(C)cc(NC(=[NH2+])NC[C@H]2CCCN(Cc3cccnc3)C2)c1 ZINC000364372335 944491973 /nfs/dbraw/zinc/49/19/73/944491973.db2.gz CFBWRIBMPGOBKH-LJQANCHMSA-N 1 3 351.498 3.547 20 0 FHADHO C/C(=C\c1ccccc1C(F)(F)F)C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000500376927 944682304 /nfs/dbraw/zinc/68/23/04/944682304.db2.gz MVGYBTOCYIDCIA-DTQAZKPQSA-N 1 3 369.475 3.724 20 0 FHADHO Cc1nc2ccc(CN3CCC(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)cc2s1 ZINC000426412536 944726827 /nfs/dbraw/zinc/72/68/27/944726827.db2.gz PPXOJNKGQZQQNP-IYBDPMFKSA-N 1 3 373.566 3.926 20 0 FHADHO Cc1nc2ccc(CN3CCC(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)cc2s1 ZINC000426412536 944726829 /nfs/dbraw/zinc/72/68/29/944726829.db2.gz PPXOJNKGQZQQNP-IYBDPMFKSA-N 1 3 373.566 3.926 20 0 FHADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NC[C@H]2Cc3ccccc3N(C)C2)CC1 ZINC000437084529 945001391 /nfs/dbraw/zinc/00/13/91/945001391.db2.gz BJOSOXYOPHMUGI-WOIUINJBSA-N 1 3 355.570 3.928 20 0 FHADHO CCN(CCC[NH+]1CCC(NCc2ccccc2)CC1)CC(F)(F)F ZINC000660678746 945379339 /nfs/dbraw/zinc/37/93/39/945379339.db2.gz ZZGFEOGZWYLKNO-UHFFFAOYSA-N 1 3 357.464 3.515 20 0 FHADHO CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1cccc(CN(C)C)c1 ZINC000044277401 945577170 /nfs/dbraw/zinc/57/71/70/945577170.db2.gz WOARSDWAIDCZPN-UHFFFAOYSA-N 1 3 368.525 3.912 20 0 FHADHO Cc1nn(C(C)C)cc1CN[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000281271387 945577766 /nfs/dbraw/zinc/57/77/66/945577766.db2.gz HLXCXGQGIJWQLN-KRWDZBQOSA-N 1 3 373.520 3.514 20 0 FHADHO CCSc1cc(CN[C@H](C)c2ccc(OCC[NH+](C)C)cc2)ccn1 ZINC000187800850 945599516 /nfs/dbraw/zinc/59/95/16/945599516.db2.gz RKALHGQUGJUTCP-MRXNPFEDSA-N 1 3 359.539 3.985 20 0 FHADHO Cc1ccc(-c2cccc(C[N@@H+]3CCC[C@@H](n4cc(CN)nn4)C3)c2)cc1 ZINC000415127427 945691201 /nfs/dbraw/zinc/69/12/01/945691201.db2.gz NAFPWQTUDPZGGT-JOCHJYFZSA-N 1 3 361.493 3.549 20 0 FHADHO Cc1ccc(-c2cccc(C[N@H+]3CCC[C@@H](n4cc(CN)nn4)C3)c2)cc1 ZINC000415127427 945691209 /nfs/dbraw/zinc/69/12/09/945691209.db2.gz NAFPWQTUDPZGGT-JOCHJYFZSA-N 1 3 361.493 3.549 20 0 FHADHO CCCC[N@H+](CC)Cc1cccc(CNC(=O)C2(N)CC3(CCC3)C2)c1 ZINC000662751783 945875844 /nfs/dbraw/zinc/87/58/44/945875844.db2.gz CVWKNOOPMDDSEU-UHFFFAOYSA-N 1 3 357.542 3.586 20 0 FHADHO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)C2(N)CC3(CCC3)C2)c1 ZINC000662751783 945875856 /nfs/dbraw/zinc/87/58/56/945875856.db2.gz CVWKNOOPMDDSEU-UHFFFAOYSA-N 1 3 357.542 3.586 20 0 FHADHO O=C(C1CCCCC1)N1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC1 ZINC001167972770 945886694 /nfs/dbraw/zinc/88/66/94/945886694.db2.gz BIBVDJZAGDFSRB-FRIKZZABSA-N 1 3 373.585 3.553 20 0 FHADHO Fc1ccc2c(c1)nccc2N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000302018395 946080637 /nfs/dbraw/zinc/08/06/37/946080637.db2.gz GPTQZJVPROVSMU-UHFFFAOYSA-N 1 3 357.473 3.703 20 0 FHADHO CCCCN1CCC([NH2+][C@@H](C)c2ccc(OCc3nccn3C)cc2)CC1 ZINC000164458551 946418606 /nfs/dbraw/zinc/41/86/06/946418606.db2.gz RGLWFHUJGDSIMV-SFHVURJKSA-N 1 3 370.541 3.914 20 0 FHADHO Cc1cc(F)ccc1[C@@H](C)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000840884940 946491753 /nfs/dbraw/zinc/49/17/53/946491753.db2.gz RRFXLPIIGBKGKP-GOSISDBHSA-N 1 3 356.485 3.812 20 0 FHADHO CCC(=O)N(C)C1CCN(C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168057374 946559412 /nfs/dbraw/zinc/55/94/12/946559412.db2.gz MQZHPOMRHMQTRH-OALUTQOASA-N 1 3 371.569 3.761 20 0 FHADHO C[C@@H]1CC(N2CCc3ccc(=O)[nH]c3CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168058134 946599000 /nfs/dbraw/zinc/59/90/00/946599000.db2.gz BDDFJRJLZMBBMU-QZTJIDSGSA-N 1 3 365.521 3.629 20 0 FHADHO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)C[C@H](N)c3ccccc3)cc2)C1 ZINC000119453174 946784130 /nfs/dbraw/zinc/78/41/30/946784130.db2.gz OCJUIOKLHPWDCR-AVRDEDQJSA-N 1 3 365.521 3.625 20 0 FHADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C[C@H](N)c3ccccc3)cc2)C1 ZINC000119453174 946784143 /nfs/dbraw/zinc/78/41/43/946784143.db2.gz OCJUIOKLHPWDCR-AVRDEDQJSA-N 1 3 365.521 3.625 20 0 FHADHO CCC[NH+]1CCN(c2ccccc2CN2CC[C@H](C(F)(F)F)[C@H]2C)CC1 ZINC000475281243 946816215 /nfs/dbraw/zinc/81/62/15/946816215.db2.gz CMMZPCZWJJAEFD-AEFFLSMTSA-N 1 3 369.475 3.991 20 0 FHADHO CCCN1CCN(c2ccccc2C[N@@H+]2CC[C@H](C(F)(F)F)[C@H]2C)CC1 ZINC000475281243 946816226 /nfs/dbraw/zinc/81/62/26/946816226.db2.gz CMMZPCZWJJAEFD-AEFFLSMTSA-N 1 3 369.475 3.991 20 0 FHADHO CCCN1CCN(c2ccccc2C[N@H+]2CC[C@H](C(F)(F)F)[C@H]2C)CC1 ZINC000475281243 946816233 /nfs/dbraw/zinc/81/62/33/946816233.db2.gz CMMZPCZWJJAEFD-AEFFLSMTSA-N 1 3 369.475 3.991 20 0 FHADHO CCC[NH+]1CCN(c2ccccc2CN2CC[C@@H](C(F)(F)F)[C@H]2C)CC1 ZINC000475281248 946816923 /nfs/dbraw/zinc/81/69/23/946816923.db2.gz CMMZPCZWJJAEFD-SJLPKXTDSA-N 1 3 369.475 3.991 20 0 FHADHO CCCN1CCN(c2ccccc2C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)CC1 ZINC000475281248 946816935 /nfs/dbraw/zinc/81/69/35/946816935.db2.gz CMMZPCZWJJAEFD-SJLPKXTDSA-N 1 3 369.475 3.991 20 0 FHADHO CCCN1CCN(c2ccccc2C[N@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)CC1 ZINC000475281248 946816951 /nfs/dbraw/zinc/81/69/51/946816951.db2.gz CMMZPCZWJJAEFD-SJLPKXTDSA-N 1 3 369.475 3.991 20 0 FHADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000475288370 946826270 /nfs/dbraw/zinc/82/62/70/946826270.db2.gz SKTHXLPDFIGIPW-HUVFLSCGSA-N 1 3 363.549 3.619 20 0 FHADHO CC[NH2+]Cc1cccc(NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)c1 ZINC000123949616 946918165 /nfs/dbraw/zinc/91/81/65/946918165.db2.gz ITADEHVEAAYANA-IBGZPJMESA-N 1 3 369.484 3.786 20 0 FHADHO CC[C@H](c1ccccc1)N(CC(=O)NC1CC[NH+](C(C)C)CC1)C(C)C ZINC000662108204 947287370 /nfs/dbraw/zinc/28/73/70/947287370.db2.gz KICQTLCXFJVEFC-OAQYLSRUSA-N 1 3 359.558 3.837 20 0 FHADHO CN(C)Cc1ccccc1C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000487474786 947321428 /nfs/dbraw/zinc/32/14/28/947321428.db2.gz YXFXVYJPXXWKEZ-HSZRJFAPSA-N 1 3 365.521 3.533 20 0 FHADHO CN(C)Cc1ccccc1C(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000487474786 947321442 /nfs/dbraw/zinc/32/14/42/947321442.db2.gz YXFXVYJPXXWKEZ-HSZRJFAPSA-N 1 3 365.521 3.533 20 0 FHADHO O[C@]1(C[NH2+]C2CCN(C3CCCCC3)CC2)CCC[C@H](C(F)(F)F)C1 ZINC000188601209 947498888 /nfs/dbraw/zinc/49/88/88/947498888.db2.gz KPWUXFHKTPFGKW-MAUKXSAKSA-N 1 3 362.480 3.857 20 0 FHADHO O[C@]1(CNC2CC[NH+](C3CCCCC3)CC2)CCC[C@H](C(F)(F)F)C1 ZINC000188601209 947498899 /nfs/dbraw/zinc/49/88/99/947498899.db2.gz KPWUXFHKTPFGKW-MAUKXSAKSA-N 1 3 362.480 3.857 20 0 FHADHO COc1ccc(Br)cc1C[NH2+][C@@H](CCN(C)C)C(C)(C)C ZINC000523861202 947671673 /nfs/dbraw/zinc/67/16/73/947671673.db2.gz FCYQZFVYDVCZLB-INIZCTEOSA-N 1 3 357.336 3.914 20 0 FHADHO Cc1nc2c(s1)[C@H](NCc1ccc(OCCC[NH+](C)C)cc1)CCC2 ZINC000165193164 947707691 /nfs/dbraw/zinc/70/76/91/947707691.db2.gz GVCUELKJHUKCAZ-GOSISDBHSA-N 1 3 359.539 3.949 20 0 FHADHO Cc1c(Cl)cccc1NC(=O)[C@@H](C)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662297827 947719105 /nfs/dbraw/zinc/71/91/05/947719105.db2.gz SIDPVTWAWVAJTD-WBVHZDCISA-N 1 3 363.933 3.687 20 0 FHADHO C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000579376303 947758147 /nfs/dbraw/zinc/75/81/47/947758147.db2.gz LZJBELWHDJFKRB-ZAAXVRCTSA-N 1 3 369.484 3.927 20 0 FHADHO CC1CCN([C@H](CNC(=O)c2cccc3c2C[NH2+]C3)c2cccs2)CC1 ZINC000662347287 947758622 /nfs/dbraw/zinc/75/86/22/947758622.db2.gz ZNCNMRUUXTXOOL-LJQANCHMSA-N 1 3 369.534 3.554 20 0 FHADHO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)c1cccc2c1CNC2 ZINC000662426330 947791441 /nfs/dbraw/zinc/79/14/41/947791441.db2.gz XFNZFPATVHAZCL-UHFFFAOYSA-N 1 3 363.505 3.596 20 0 FHADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCN(C(C)C)C2)c2ccccc21 ZINC000549612266 948013029 /nfs/dbraw/zinc/01/30/29/948013029.db2.gz ULDPOHQBJCOVGA-UIFIKXQLSA-N 1 3 358.526 3.878 20 0 FHADHO Cc1ccc(NC(=O)C[C@@H](C)NC[C@H]2CCC[N@H+](CC3CC3)C2)c(C)c1 ZINC000663466786 948058135 /nfs/dbraw/zinc/05/81/35/948058135.db2.gz ACFHXXORCUQQTB-UYAOXDASSA-N 1 3 357.542 3.732 20 0 FHADHO Cc1ccc(NC(=O)C[C@@H](C)NC[C@H]2CCC[N@@H+](CC3CC3)C2)c(C)c1 ZINC000663466786 948058143 /nfs/dbraw/zinc/05/81/43/948058143.db2.gz ACFHXXORCUQQTB-UYAOXDASSA-N 1 3 357.542 3.732 20 0 FHADHO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCCN(CC3CC3)C2)c(C)c1 ZINC000663466786 948058150 /nfs/dbraw/zinc/05/81/50/948058150.db2.gz ACFHXXORCUQQTB-UYAOXDASSA-N 1 3 357.542 3.732 20 0 FHADHO CC[NH+](CC)CCC[C@@H](C)N1CCO[C@]2(CCCN(c3ccccc3)C2)C1 ZINC001167821583 948079819 /nfs/dbraw/zinc/07/98/19/948079819.db2.gz DWCPVVOIBQMVEK-FYYLOGMGSA-N 1 3 373.585 3.868 20 0 FHADHO C[C@H](N)C[NH2+][C@@H](c1ccc(Br)cc1C(F)(F)F)C1CC1 ZINC000643527394 948169813 /nfs/dbraw/zinc/16/98/13/948169813.db2.gz MCDJUABCFKLOOA-ISVAXAHUSA-N 1 3 351.210 3.856 20 0 FHADHO CC[NH+](CC)CCC[C@H](C)N1CCN(C(=O)OC(C)(C)C)C2(CC2)C1 ZINC001167833382 948222479 /nfs/dbraw/zinc/22/24/79/948222479.db2.gz AORUMTBGHFHUAR-KRWDZBQOSA-N 1 3 353.551 3.582 20 0 FHADHO C[C@H]1C[C@@H](CCNCc2ncc(CN(C)C)s2)C[N@@H+]1Cc1ccccc1 ZINC000512045628 948295871 /nfs/dbraw/zinc/29/58/71/948295871.db2.gz NUMPEZXBHRXQRQ-PKOBYXMFSA-N 1 3 372.582 3.595 20 0 FHADHO C[C@H]1C[C@@H](CCNCc2ncc(CN(C)C)s2)C[N@H+]1Cc1ccccc1 ZINC000512045628 948295879 /nfs/dbraw/zinc/29/58/79/948295879.db2.gz NUMPEZXBHRXQRQ-PKOBYXMFSA-N 1 3 372.582 3.595 20 0 FHADHO C[C@@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000432409734 948353132 /nfs/dbraw/zinc/35/31/32/948353132.db2.gz IMBZIFBKHKNWRW-JKSUJKDBSA-N 1 3 374.447 3.779 20 0 FHADHO C[C@@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000432409734 948353139 /nfs/dbraw/zinc/35/31/39/948353139.db2.gz IMBZIFBKHKNWRW-JKSUJKDBSA-N 1 3 374.447 3.779 20 0 FHADHO C[C@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(-c2ccncc2)cc1 ZINC000432412105 948360268 /nfs/dbraw/zinc/36/02/68/948360268.db2.gz AGSYEOLVKZYVOU-MOPGFXCFSA-N 1 3 353.510 3.900 20 0 FHADHO C[C@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1ccc(-c2ccncc2)cc1 ZINC000432412105 948360280 /nfs/dbraw/zinc/36/02/80/948360280.db2.gz AGSYEOLVKZYVOU-MOPGFXCFSA-N 1 3 353.510 3.900 20 0 FHADHO Cc1ccc([C@H](CNC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)N2CCCC2)cc1 ZINC000512094201 948405497 /nfs/dbraw/zinc/40/54/97/948405497.db2.gz HOWBLWNHABKCNM-HDAAZOAOSA-N 1 3 357.542 3.509 20 0 FHADHO Cc1ccc([C@H](CNC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)N2CCCC2)cc1 ZINC000512094201 948405499 /nfs/dbraw/zinc/40/54/99/948405499.db2.gz HOWBLWNHABKCNM-HDAAZOAOSA-N 1 3 357.542 3.509 20 0 FHADHO Cc1c([C@@H](C)[NH2+]C[C@H]2CCN(C3CC3)C2)cnn1-c1cc(C)ccc1C ZINC000152374944 948438479 /nfs/dbraw/zinc/43/84/79/948438479.db2.gz YRFSCSKDHLRIMY-IEBWSBKVSA-N 1 3 352.526 3.932 20 0 FHADHO C[C@@H]1CC([NH2+]C2CN(C(=O)OC(C)(C)C)C2)C[C@@H](C)N1Cc1ccccc1 ZINC001168005033 948439671 /nfs/dbraw/zinc/43/96/71/948439671.db2.gz FAAXSVDSPIOOPJ-IAGOWNOFSA-N 1 3 373.541 3.637 20 0 FHADHO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000663693894 948649962 /nfs/dbraw/zinc/64/99/62/948649962.db2.gz BMFBESWEDWJTKF-MJGOQNOKSA-N 1 3 369.484 3.655 20 0 FHADHO C[C@@H]1C[N@@H+](CC2CCN(Cc3ccc(F)c4cccnc34)CC2)C[C@H](C)O1 ZINC000110427338 209323387 /nfs/dbraw/zinc/32/33/87/209323387.db2.gz MGVSMJGBEFTEHU-CALCHBBNSA-N 1 3 371.500 3.695 20 0 FHADHO C[C@@H]1C[N@H+](CC2CCN(Cc3ccc(F)c4cccnc34)CC2)C[C@H](C)O1 ZINC000110427338 209323388 /nfs/dbraw/zinc/32/33/88/209323388.db2.gz MGVSMJGBEFTEHU-CALCHBBNSA-N 1 3 371.500 3.695 20 0 FHADHO CC(C)[NH+](CCNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1)C(C)C ZINC000604156969 568217876 /nfs/dbraw/zinc/21/78/76/568217876.db2.gz LSJBCVXMSDFPCL-NRFANRHFSA-N 1 3 374.573 3.632 20 0 FHADHO CN1[C@@H]2CC[C@H]1CC([NH2+]C[C@@H]1CCCN(C)[C@@H]1c1cccc(Cl)c1)C2 ZINC000365226332 568338977 /nfs/dbraw/zinc/33/89/77/568338977.db2.gz ZWGPUQVFNDFHRA-KXEVLKFVSA-N 1 3 361.961 3.938 20 0 FHADHO CN(C)Cc1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000050030008 568664267 /nfs/dbraw/zinc/66/42/67/568664267.db2.gz MYNKEPDCXZKQCC-FQEVSTJZSA-N 1 3 351.494 3.599 20 0 FHADHO CN(C)Cc1ccccc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000050030008 568664270 /nfs/dbraw/zinc/66/42/70/568664270.db2.gz MYNKEPDCXZKQCC-FQEVSTJZSA-N 1 3 351.494 3.599 20 0 FHADHO N[C@H](CC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)c1ccccc1 ZINC000237862372 936312421 /nfs/dbraw/zinc/31/24/21/936312421.db2.gz YINNFSSVSJNLNG-JOCHJYFZSA-N 1 3 365.521 3.769 20 0 FHADHO Cc1nc2ccccn2c1C[N@@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000579696214 927111595 /nfs/dbraw/zinc/11/15/95/927111595.db2.gz HLQHYCGGEODTPC-RTWAWAEBSA-N 1 3 360.505 3.597 20 0 FHADHO Cc1nc2ccccn2c1C[N@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000579696214 927111603 /nfs/dbraw/zinc/11/16/03/927111603.db2.gz HLQHYCGGEODTPC-RTWAWAEBSA-N 1 3 360.505 3.597 20 0 FHADHO CCc1cccc(NC(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)c1CC ZINC000655027060 927880957 /nfs/dbraw/zinc/88/09/57/927880957.db2.gz SSDNVBBPHUHBIX-UHFFFAOYSA-N 1 3 371.569 3.946 20 0 FHADHO Cc1nc2ccc(Br)cc2c(NC[C@H]2CC[N@@H+](C3CC3)C2)c1C ZINC000580022828 929913930 /nfs/dbraw/zinc/91/39/30/929913930.db2.gz UQHXONVIAVSUOA-CQSZACIVSA-N 1 3 374.326 3.932 20 0 FHADHO Cc1nc2ccc(Br)cc2c(NC[C@H]2CC[N@H+](C3CC3)C2)c1C ZINC000580022828 929913939 /nfs/dbraw/zinc/91/39/39/929913939.db2.gz UQHXONVIAVSUOA-CQSZACIVSA-N 1 3 374.326 3.932 20 0 FHADHO CC(C)COc1ccccc1CN1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000580800451 931159517 /nfs/dbraw/zinc/15/95/17/931159517.db2.gz JIRCDSXVZJYCCN-UHFFFAOYSA-N 1 3 373.585 3.571 20 0 FHADHO CC(C)N1CC[C@@H](C[NH2+][C@@H](C)Cc2ccc(Br)cc2F)C1 ZINC000580801761 931166190 /nfs/dbraw/zinc/16/61/90/931166190.db2.gz WYSDEHUNVQQQMR-KBPBESRZSA-N 1 3 357.311 3.839 20 0 FHADHO CC(C)Oc1ccc(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000548155926 931692957 /nfs/dbraw/zinc/69/29/57/931692957.db2.gz JWKKYRVWVHBIEF-WIYYLYMNSA-N 1 3 353.510 3.869 20 0 FHADHO C[C@](C[NH3+])(NCCC(=O)Nc1ccc(Oc2ccccc2)cc1)C1CC1 ZINC000430578248 931941353 /nfs/dbraw/zinc/94/13/53/931941353.db2.gz WFXBMOCZAKXLOE-OAQYLSRUSA-N 1 3 353.466 3.525 20 0 FHADHO CC[NH2+]CC1CCN(Cc2cc(Br)cc3cccnc32)CC1 ZINC000430586021 931960155 /nfs/dbraw/zinc/96/01/55/931960155.db2.gz UYORGLHRLSMSMW-UHFFFAOYSA-N 1 3 362.315 3.819 20 0 FHADHO CN(C)Cc1ccc(-c2noc(-c3ccc4c(c3)[C@@H](C[NH3+])CCC4)n2)cc1 ZINC000656560185 932072019 /nfs/dbraw/zinc/07/20/19/932072019.db2.gz NNOHUNLUPONXHL-LJQANCHMSA-N 1 3 362.477 3.844 20 0 FHADHO C[C@@H](N)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000430621870 932356549 /nfs/dbraw/zinc/35/65/49/932356549.db2.gz KSNWIHVQVYBVLF-UTKZUKDTSA-N 1 3 351.494 3.884 20 0 FHADHO C[C@@H](N)[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000430621870 932356556 /nfs/dbraw/zinc/35/65/56/932356556.db2.gz KSNWIHVQVYBVLF-UTKZUKDTSA-N 1 3 351.494 3.884 20 0 FHADHO COc1cccc(CN2CCC[C@H](C3CC[NH2+]CC3)C2)c1OC(F)F ZINC000656786771 932426023 /nfs/dbraw/zinc/42/60/23/932426023.db2.gz XMWLNFUDBRJAFE-HNNXBMFYSA-N 1 3 354.441 3.508 20 0 FHADHO COc1ccc([C@@H](C[NH3+])CN2CCC(OCC3CCCCC3)CC2)cc1 ZINC000581716666 932551613 /nfs/dbraw/zinc/55/16/13/932551613.db2.gz MVLKNALAGUZGRC-FQEVSTJZSA-N 1 3 360.542 3.799 20 0 FHADHO Cc1ncc([C@H](C)[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)s1 ZINC000090403407 932553320 /nfs/dbraw/zinc/55/33/20/932553320.db2.gz IUZMEZYMRAPAHT-SFHVURJKSA-N 1 3 372.582 3.700 20 0 FHADHO Cc1ncc([C@@H](C)[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)s1 ZINC000090403405 932553896 /nfs/dbraw/zinc/55/38/96/932553896.db2.gz IUZMEZYMRAPAHT-GOSISDBHSA-N 1 3 372.582 3.700 20 0 FHADHO C[C@H]1[C@H](C(F)(F)F)CCN1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000684411341 932588091 /nfs/dbraw/zinc/58/80/91/932588091.db2.gz KECLYCQEFZIMSS-MAUKXSAKSA-N 1 3 356.432 3.934 20 0 FHADHO FC(F)(F)c1ccc(-c2n[nH]cc2CN2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000430943725 933459112 /nfs/dbraw/zinc/45/91/12/933459112.db2.gz QCCJETRMXSIRQN-UHFFFAOYSA-N 1 3 364.415 3.671 20 0 FHADHO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCC2(CC[NH2+]C2)CC1 ZINC000431029039 933702721 /nfs/dbraw/zinc/70/27/21/933702721.db2.gz XECBYZUIXDZRQL-GOSISDBHSA-N 1 3 363.505 3.756 20 0 FHADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(Br)cc1 ZINC000537969300 934993739 /nfs/dbraw/zinc/99/37/39/934993739.db2.gz SVJWVGSTOOAZCM-XHSDSOJGSA-N 1 3 369.347 3.989 20 0 FHADHO COC[C@H](C)Oc1ccc(CNCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000657300688 935025143 /nfs/dbraw/zinc/02/51/43/935025143.db2.gz SPEDYAUQFRFEHA-IBGZPJMESA-N 1 3 368.521 3.986 20 0 FHADHO CCOc1cc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)ccc1OC(F)F ZINC000261770552 935317466 /nfs/dbraw/zinc/31/74/66/935317466.db2.gz WVOKWPJVBCAPBR-INIZCTEOSA-N 1 3 354.441 3.651 20 0 FHADHO CCOc1cc(CN2CCC([C@H]3CCC[NH2+]3)CC2)ccc1OC(F)F ZINC000261770553 935317661 /nfs/dbraw/zinc/31/76/61/935317661.db2.gz WVOKWPJVBCAPBR-MRXNPFEDSA-N 1 3 354.441 3.651 20 0 FHADHO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(CN3CCCCC3)c2)C[C@H]1C ZINC000413505576 935862715 /nfs/dbraw/zinc/86/27/15/935862715.db2.gz VBCQAQBQMYXMHY-NQIIRXRSSA-N 1 3 357.542 3.617 20 0 FHADHO CC[N@H+]1CC[C@H](N(C)C(=O)c2cccc(CN3CCCCC3)c2)C[C@H]1C ZINC000413505576 935862720 /nfs/dbraw/zinc/86/27/20/935862720.db2.gz VBCQAQBQMYXMHY-NQIIRXRSSA-N 1 3 357.542 3.617 20 0 FHADHO CC[NH+](CC)CCOC1CCN(Cc2cc(F)cc3cccnc32)CC1 ZINC000075007434 936002688 /nfs/dbraw/zinc/00/26/88/936002688.db2.gz WLLLSCKSJBNJCB-UHFFFAOYSA-N 1 3 359.489 3.697 20 0 FHADHO O[C@H]1CC[N@H+](Cc2ccc(CNCc3cccc(C(F)(F)F)c3)cc2)C1 ZINC000657594293 936073656 /nfs/dbraw/zinc/07/36/56/936073656.db2.gz IDTAIWDEPVGNQE-IBGZPJMESA-N 1 3 364.411 3.562 20 0 FHADHO O[C@H]1CC[N@@H+](Cc2ccc(CNCc3cccc(C(F)(F)F)c3)cc2)C1 ZINC000657594293 936073660 /nfs/dbraw/zinc/07/36/60/936073660.db2.gz IDTAIWDEPVGNQE-IBGZPJMESA-N 1 3 364.411 3.562 20 0 FHADHO CC(C)Oc1cccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)c1 ZINC000657612247 936092032 /nfs/dbraw/zinc/09/20/32/936092032.db2.gz KIEPPNLIIHENBO-UHFFFAOYSA-N 1 3 353.510 3.871 20 0 FHADHO C[C@@H]([NH3+])[C@H]1COCC[C@H]1NCc1ccc(-c2ccc3c(c2)C[C@@H](C)O3)cc1 ZINC000582899173 936271343 /nfs/dbraw/zinc/27/13/43/936271343.db2.gz AJTLXIFXQSAXNO-AHWCRGGASA-N 1 3 366.505 3.519 20 0 FHADHO COCC[C@H](c1ccccc1)[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000536034200 938261771 /nfs/dbraw/zinc/26/17/71/938261771.db2.gz BJEOGMJFEAZLOS-WOIUINJBSA-N 1 3 360.542 3.585 20 0 FHADHO C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+]C[C@H](O)CN1CCC(C)CC1 ZINC000583656226 938341399 /nfs/dbraw/zinc/34/13/99/938341399.db2.gz LZJTYYLEWDLRAE-XLCPLWEUSA-N 1 3 370.459 3.791 20 0 FHADHO CC[N@H+](CCC1CCN(Cc2cc(-c3cnn(C)c3)no2)CC1)CC(C)C ZINC000469531804 945167194 /nfs/dbraw/zinc/16/71/94/945167194.db2.gz WEJRYLQZYWIOGC-UHFFFAOYSA-N 1 3 373.545 3.655 20 0 FHADHO CC[N@@H+](CCC1CCN(Cc2cc(-c3cnn(C)c3)no2)CC1)CC(C)C ZINC000469531804 945167204 /nfs/dbraw/zinc/16/72/04/945167204.db2.gz WEJRYLQZYWIOGC-UHFFFAOYSA-N 1 3 373.545 3.655 20 0 FHADHO CC(C)(C(=O)NC[C@H](c1ccccc1)N1CCCC1)[C@H]([NH3+])c1ccccc1 ZINC000583690178 938359370 /nfs/dbraw/zinc/35/93/70/938359370.db2.gz HNUJANCZIHRYBA-NHCUHLMSSA-N 1 3 365.521 3.666 20 0 FHADHO Fc1ccc(CNCC2CC[NH+](CC3CC3)CC2)c(Br)c1 ZINC000657813612 938517758 /nfs/dbraw/zinc/51/77/58/938517758.db2.gz UFWNXLVJVQEFRJ-UHFFFAOYSA-N 1 3 355.295 3.800 20 0 FHADHO C[NH+]1CCC([C@H]2CCN(Cc3c[nH]nc3-c3c(F)cccc3F)C2)CC1 ZINC000584378474 938785479 /nfs/dbraw/zinc/78/54/79/938785479.db2.gz LGZGPZVQALJVHA-HNNXBMFYSA-N 1 3 360.452 3.519 20 0 FHADHO CN(C)Cc1cccc(C(=O)N2CCc3c2cccc3C[NH+]2CCCC2)c1 ZINC000081430755 938788625 /nfs/dbraw/zinc/78/86/25/938788625.db2.gz ONUDEVOJZIBFKT-UHFFFAOYSA-N 1 3 363.505 3.547 20 0 FHADHO CC[NH+](CC)CCOC1CCN(CCc2ccc(F)cc2Cl)CC1 ZINC000584442034 938888628 /nfs/dbraw/zinc/88/86/28/938888628.db2.gz QUOOGRNJZIZMDQ-UHFFFAOYSA-N 1 3 356.913 3.844 20 0 FHADHO C[NH+]1CCC(C)(CN[C@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000507410924 945215304 /nfs/dbraw/zinc/21/53/04/945215304.db2.gz ZLDGZMSWWLQGJT-HNNXBMFYSA-N 1 3 355.295 3.897 20 0 FHADHO C[C@@H](NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1cc2cnccc2o1 ZINC000657873701 938960153 /nfs/dbraw/zinc/96/01/53/938960153.db2.gz NIMGVNWCTYJZDH-MRXNPFEDSA-N 1 3 365.477 3.635 20 0 FHADHO C[C@@H]([NH2+]CC1(N2CCCCC2)CCN(C)CC1)c1cc2ccncc2s1 ZINC000657893271 938991599 /nfs/dbraw/zinc/99/15/99/938991599.db2.gz QYLDTZNPAYUGLG-QGZVFWFLSA-N 1 3 372.582 3.897 20 0 FHADHO C[C@H](NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cc2ccncc2s1 ZINC000657925464 939007773 /nfs/dbraw/zinc/00/77/73/939007773.db2.gz NVGIBTCUKGELEX-QGTPRVQTSA-N 1 3 359.539 3.715 20 0 FHADHO Fc1cc2c(c(F)c1F)[C@@H](NCC1CC[NH+](C3CCOCC3)CC1)CC2 ZINC000658069533 939021846 /nfs/dbraw/zinc/02/18/46/939021846.db2.gz GUBBWJRYMXFSHD-KRWDZBQOSA-N 1 3 368.443 3.572 20 0 FHADHO Cc1nc(C(C)C)sc1[C@H](C)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658137382 939041172 /nfs/dbraw/zinc/04/11/72/939041172.db2.gz GNMCBWBTJLJDSS-HNAYVOBHSA-N 1 3 373.566 3.992 20 0 FHADHO Cc1nc(C(C)C)sc1[C@H](C)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658137382 939041176 /nfs/dbraw/zinc/04/11/76/939041176.db2.gz GNMCBWBTJLJDSS-HNAYVOBHSA-N 1 3 373.566 3.992 20 0 FHADHO COc1cccc2c1CCC[C@H]2[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658168369 939055416 /nfs/dbraw/zinc/05/54/16/939055416.db2.gz WKXJQFDXUIXAHE-JOCHJYFZSA-N 1 3 365.521 3.969 20 0 FHADHO COc1ccc([C@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)c(OC)c1 ZINC000658168110 939055429 /nfs/dbraw/zinc/05/54/29/939055429.db2.gz RZMLDVFCKLNIJZ-KRWDZBQOSA-N 1 3 369.509 3.662 20 0 FHADHO c1ccc2c(c1)CCSC[C@@H]2[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658168893 939055445 /nfs/dbraw/zinc/05/54/45/939055445.db2.gz ZYKWMPMATPCUJE-QFIPXVFZSA-N 1 3 367.562 3.914 20 0 FHADHO Cn1ncc2c1CCC[C@H]2[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000658319446 939111456 /nfs/dbraw/zinc/11/14/56/939111456.db2.gz AWBXWBOIGIYVEY-TZIWHRDSSA-N 1 3 364.537 3.689 20 0 FHADHO CC(C)(C)OC(=O)CCC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000507487536 945274465 /nfs/dbraw/zinc/27/44/65/945274465.db2.gz RIRRBEAABZPHKY-XUVXKRRUSA-N 1 3 358.526 3.609 20 0 FHADHO c1[nH]c2ncccc2c1CC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000507508235 945287697 /nfs/dbraw/zinc/28/76/97/945287697.db2.gz JHQSITUYCKCNHE-ILWGZMRPSA-N 1 3 360.505 3.606 20 0 FHADHO CC[C@H]([NH2+]C1CCN(CC(C)C)CC1)c1cc(OC)c(OC)c(OC)c1 ZINC000652137221 945325879 /nfs/dbraw/zinc/32/58/79/945325879.db2.gz CWUJSYAAJXOPEN-SFHVURJKSA-N 1 3 364.530 3.874 20 0 FHADHO CN1CCCC[C@H]1CC[N@H+](C)CCC(=O)Nc1ccc(Cl)cc1F ZINC000173952446 940689790 /nfs/dbraw/zinc/68/97/90/940689790.db2.gz JFIUDTFTJJWKGG-HNNXBMFYSA-N 1 3 355.885 3.614 20 0 FHADHO CN1CCCC[C@H]1CC[N@@H+](C)CCC(=O)Nc1ccc(Cl)cc1F ZINC000173952446 940689791 /nfs/dbraw/zinc/68/97/91/940689791.db2.gz JFIUDTFTJJWKGG-HNNXBMFYSA-N 1 3 355.885 3.614 20 0 FHADHO CC(C)N1CCC([NH2+][C@H](C)C(=O)N[C@H](C)c2cccc3ccccc32)CC1 ZINC000174295602 940718503 /nfs/dbraw/zinc/71/85/03/940718503.db2.gz REDDBTNEJZAIEF-QZTJIDSGSA-N 1 3 367.537 3.868 20 0 FHADHO C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000414311459 940942967 /nfs/dbraw/zinc/94/29/67/940942967.db2.gz VARSNTAQIITCBA-VGSWGCGISA-N 1 3 368.496 3.676 20 0 FHADHO NCc1nn(-c2ccc3[nH]cc(CC[NH+]4CCCC4)c3c2)c2ccccc12 ZINC001167697967 941027746 /nfs/dbraw/zinc/02/77/46/941027746.db2.gz PXZGVTUWDHUDAA-UHFFFAOYSA-N 1 3 359.477 3.604 20 0 FHADHO CN1CCC[N@H+](CCCN[C@@H]2CCc3cc(Cl)cc(Cl)c32)CC1 ZINC000134383518 941062198 /nfs/dbraw/zinc/06/21/98/941062198.db2.gz BEEUSLMPBINMCA-QGZVFWFLSA-N 1 3 356.341 3.598 20 0 FHADHO CN1CCC[N@@H+](CCCN[C@@H]2CCc3cc(Cl)cc(Cl)c32)CC1 ZINC000134383518 941062200 /nfs/dbraw/zinc/06/22/00/941062200.db2.gz BEEUSLMPBINMCA-QGZVFWFLSA-N 1 3 356.341 3.598 20 0 FHADHO CCN1CCN(C[C@H](C)C[NH2+][C@@H]2CCc3cc(Cl)cc(Cl)c32)CC1 ZINC000134379150 941062457 /nfs/dbraw/zinc/06/24/57/941062457.db2.gz IKQGZNIGVUNNSR-RDTXWAMCSA-N 1 3 370.368 3.844 20 0 FHADHO COc1cc(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc(Cl)c1OC ZINC000647543402 941065298 /nfs/dbraw/zinc/06/52/98/941065298.db2.gz MQJBYLAJUQZEDL-HOTGVXAUSA-N 1 3 352.906 3.569 20 0 FHADHO C[C@H]1C[NH2+]C[C@@H](NC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000647548774 941070342 /nfs/dbraw/zinc/07/03/42/941070342.db2.gz SQGVBCLPHAKNAS-ACJLOTCBSA-N 1 3 356.341 3.545 20 0 FHADHO C[C@H]([NH2+]C[C@H]1OCCc2ccccc21)[C@H]1CCN(Cc2ccccc2)C1 ZINC000311781890 941323622 /nfs/dbraw/zinc/32/36/22/941323622.db2.gz HYVGBOZNIOPYES-AVCGJXAMSA-N 1 3 350.506 3.801 20 0 FHADHO C[C@H](NC[C@H]1OCCc2ccccc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311781890 941323626 /nfs/dbraw/zinc/32/36/26/941323626.db2.gz HYVGBOZNIOPYES-AVCGJXAMSA-N 1 3 350.506 3.801 20 0 FHADHO C[C@H](NC[C@H]1OCCc2ccccc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311781890 941323629 /nfs/dbraw/zinc/32/36/29/941323629.db2.gz HYVGBOZNIOPYES-AVCGJXAMSA-N 1 3 350.506 3.801 20 0 FHADHO [NH3+]CCC[C@@H](NCc1cnn(Cc2ccc(F)cc2)c1)c1ccccc1 ZINC000415061919 941580098 /nfs/dbraw/zinc/58/00/98/941580098.db2.gz ZEDUBROQYMALNG-OAQYLSRUSA-N 1 3 352.457 3.640 20 0 FHADHO CC1CCN(CCC[NH2+]CCC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000695280145 941814953 /nfs/dbraw/zinc/81/49/53/941814953.db2.gz ZLGHRZGOAXIIRG-UHFFFAOYSA-N 1 3 367.578 3.735 20 0 FHADHO Cc1ccccc1OC[C@H](O)CNC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000644569841 941840958 /nfs/dbraw/zinc/84/09/58/941840958.db2.gz FMKNWDBZAHXAIA-SIKLNZKXSA-N 1 3 368.521 3.550 20 0 FHADHO C[C@@H](c1ccccc1C(F)(F)F)[N@@H+]1CCC[C@@H](CN2CCN(C)CC2)C1 ZINC000377628022 941854589 /nfs/dbraw/zinc/85/45/89/941854589.db2.gz QBBRQGXGVKENQW-IRXDYDNUSA-N 1 3 369.475 3.726 20 0 FHADHO C[C@@H](c1ccccc1C(F)(F)F)[N@H+]1CCC[C@@H](CN2CCN(C)CC2)C1 ZINC000377628022 941854599 /nfs/dbraw/zinc/85/45/99/941854599.db2.gz QBBRQGXGVKENQW-IRXDYDNUSA-N 1 3 369.475 3.726 20 0 FHADHO C[C@@H]([NH2+]C1CCN(CCC(F)(F)F)CC1)[C@H]1CCCN(C2CCC2)C1 ZINC000513408490 941902799 /nfs/dbraw/zinc/90/27/99/941902799.db2.gz NKOZPFBNPQQEQY-CVEARBPZSA-N 1 3 361.496 3.646 20 0 FHADHO CCOc1cccc(CNCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)n1 ZINC000513510284 941971985 /nfs/dbraw/zinc/97/19/85/941971985.db2.gz AWVLQYFUFFCFAP-UYAOXDASSA-N 1 3 353.510 3.871 20 0 FHADHO CCOc1cccc(CNCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000513510284 941971989 /nfs/dbraw/zinc/97/19/89/941971989.db2.gz AWVLQYFUFFCFAP-UYAOXDASSA-N 1 3 353.510 3.871 20 0 FHADHO Cc1noc(CCC[NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@H]32)n1 ZINC000513655724 942058420 /nfs/dbraw/zinc/05/84/20/942058420.db2.gz NYLFQFGOXHCEIC-PWRODBHTSA-N 1 3 368.525 3.591 20 0 FHADHO C[NH2+]Cc1cccc(NC(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)c1 ZINC000415916657 942142046 /nfs/dbraw/zinc/14/20/46/942142046.db2.gz HWSXWZLDTFNTQI-SFHVURJKSA-N 1 3 366.509 3.534 20 0 FHADHO CC(C)Cc1ccc([C@H](CNC(=O)Nc2ccc(C[NH3+])cc2)N(C)C)cc1 ZINC000415963059 942202288 /nfs/dbraw/zinc/20/22/88/942202288.db2.gz UTWUSIXVGPBNPK-NRFANRHFSA-N 1 3 368.525 3.768 20 0 FHADHO CC(C)C1CCC(N2CCN(C(=O)Nc3ccc(C[NH3+])cc3)CC2)CC1 ZINC000415978873 942221885 /nfs/dbraw/zinc/22/18/85/942221885.db2.gz PUWHGKLFXQEMFN-UHFFFAOYSA-N 1 3 358.530 3.510 20 0 FHADHO CCN(C(=O)Nc1ccc(C[NH2+]C)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000415984154 942233026 /nfs/dbraw/zinc/23/30/26/942233026.db2.gz OWPTVRJRDHFBPP-NRFANRHFSA-N 1 3 366.509 3.534 20 0 FHADHO C[C@H]([NH2+]C(C)(C)CNC(=O)Nc1ccc2c(c1)CNC2)c1ccccc1 ZINC000415996933 942246495 /nfs/dbraw/zinc/24/64/95/942246495.db2.gz OJXFOAYHMHDORT-HNNXBMFYSA-N 1 3 352.482 3.541 20 0 FHADHO CN(Cc1cn2cc(Cl)ccc2n1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501036880 942278598 /nfs/dbraw/zinc/27/85/98/942278598.db2.gz ZRGBFVBATPHFBF-UHFFFAOYSA-N 1 3 369.900 3.731 20 0 FHADHO CCN1CCC([N@@H+]2CCCN([C@@H]3CCc4c3cccc4Cl)CC2)CC1 ZINC000420974396 942286779 /nfs/dbraw/zinc/28/67/79/942286779.db2.gz DNPBSXJIBDKIHN-OAQYLSRUSA-N 1 3 361.961 3.819 20 0 FHADHO CCN1CCC([N@H+]2CCCN([C@@H]3CCc4c3cccc4Cl)CC2)CC1 ZINC000420974396 942286784 /nfs/dbraw/zinc/28/67/84/942286784.db2.gz DNPBSXJIBDKIHN-OAQYLSRUSA-N 1 3 361.961 3.819 20 0 FHADHO CO[C@H](CN[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C)c1ccc(Cl)cc1 ZINC000378183676 942370228 /nfs/dbraw/zinc/37/02/28/942370228.db2.gz JKJCOJMRSZMWMZ-YGWPLHOASA-N 1 3 366.933 3.507 20 0 FHADHO CO[C@H](CN[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C)c1ccc(Cl)cc1 ZINC000378183676 942370234 /nfs/dbraw/zinc/37/02/34/942370234.db2.gz JKJCOJMRSZMWMZ-YGWPLHOASA-N 1 3 366.933 3.507 20 0 FHADHO C[NH2+]C[C@@H](C)CN[C@@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414829966 942480738 /nfs/dbraw/zinc/48/07/38/942480738.db2.gz BSCXFFRAUKXJEU-MNOVXSKESA-N 1 3 365.827 3.521 20 0 FHADHO C/C(=C/c1ccccc1C(F)(F)F)C[NH2+]C[C@@H](O)CN1CCC(C)CC1 ZINC000501475619 942501732 /nfs/dbraw/zinc/50/17/32/942501732.db2.gz JVAADTFUPRKBJB-MUMAZLPKSA-N 1 3 370.459 3.791 20 0 FHADHO Brc1cccc(-c2nc(CNCC[C@@H]3CC[NH2+]C3)cs2)c1 ZINC000414834876 942516422 /nfs/dbraw/zinc/51/64/22/942516422.db2.gz RBICPYUTFBFDDF-LBPRGKRZSA-N 1 3 366.328 3.662 20 0 FHADHO CCSc1cccc(CN2CCC[N@@H+](C3CCN(CC)CC3)CC2)c1 ZINC000421378907 942528862 /nfs/dbraw/zinc/52/88/62/942528862.db2.gz UCKMLSKIGUVRDU-UHFFFAOYSA-N 1 3 361.599 3.791 20 0 FHADHO CCSc1cccc(CN2CCC[N@H+](C3CCN(CC)CC3)CC2)c1 ZINC000421378907 942528865 /nfs/dbraw/zinc/52/88/65/942528865.db2.gz UCKMLSKIGUVRDU-UHFFFAOYSA-N 1 3 361.599 3.791 20 0 FHADHO CCOc1cc(C[NH2+]C2CCC([NH+](C)C)CC2)cc(Br)c1[O-] ZINC000421378891 942529140 /nfs/dbraw/zinc/52/91/40/942529140.db2.gz UBANXHKYTJKZRL-UHFFFAOYSA-N 1 3 371.319 3.516 20 0 FHADHO COc1ccc(OC)c(C[N@@H+]2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)c1 ZINC000395804019 942536573 /nfs/dbraw/zinc/53/65/73/942536573.db2.gz CDYSBMJLDIIWJH-CTNGQTDRSA-N 1 3 366.505 3.658 20 0 FHADHO COc1ccc(OC)c(C[N@H+]2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)c1 ZINC000395804019 942536577 /nfs/dbraw/zinc/53/65/77/942536577.db2.gz CDYSBMJLDIIWJH-CTNGQTDRSA-N 1 3 366.505 3.658 20 0 FHADHO COc1ccc([C@H](CN)C[N@@H+]2CC[C@H](CSc3ccccc3)C2)cc1 ZINC000420300688 942609996 /nfs/dbraw/zinc/60/99/96/942609996.db2.gz KJBSOHGPMSBLFV-PKOBYXMFSA-N 1 3 356.535 3.852 20 0 FHADHO COc1ccc([C@H](CN)C[N@H+]2CC[C@H](CSc3ccccc3)C2)cc1 ZINC000420300688 942610001 /nfs/dbraw/zinc/61/00/01/942610001.db2.gz KJBSOHGPMSBLFV-PKOBYXMFSA-N 1 3 356.535 3.852 20 0 FHADHO COc1ccc([C@H](C[NH3+])CN2CCC[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000420302357 942611093 /nfs/dbraw/zinc/61/10/93/942611093.db2.gz JSNZCQMQGUPUPP-UYAOXDASSA-N 1 3 370.493 3.592 20 0 FHADHO CCCN(CC[C@@H]1CC[NH2+]C1)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000420317114 942619049 /nfs/dbraw/zinc/61/90/49/942619049.db2.gz NESPUDWVPAQEFJ-ZDUSSCGKSA-N 1 3 358.313 3.644 20 0 FHADHO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420340180 942623920 /nfs/dbraw/zinc/62/39/20/942623920.db2.gz MTDUBIPXOZSIRM-FHWLQOOXSA-N 1 3 357.542 3.767 20 0 FHADHO COc1ccc([C@@H](CN)C[N@H+](Cc2ccc(F)cc2)C2CCOCC2)cc1 ZINC000420368963 942642966 /nfs/dbraw/zinc/64/29/66/942642966.db2.gz XEIWTMMAXBUQFF-IBGZPJMESA-N 1 3 372.484 3.558 20 0 FHADHO COc1ccc([C@@H](CN)C[N@@H+](Cc2ccc(F)cc2)C2CCOCC2)cc1 ZINC000420368963 942642971 /nfs/dbraw/zinc/64/29/71/942642971.db2.gz XEIWTMMAXBUQFF-IBGZPJMESA-N 1 3 372.484 3.558 20 0 FHADHO Cc1ccc(-c2noc(CCCN3CCCC[C@@H]3[C@H]3CC[NH2+]C3)n2)cc1F ZINC000420379985 942647601 /nfs/dbraw/zinc/64/76/01/942647601.db2.gz BXYSNNKTUUADKT-PKOBYXMFSA-N 1 3 372.488 3.581 20 0 FHADHO O=C(CCN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)Nc1cccc2ccccc21 ZINC000420403721 942661915 /nfs/dbraw/zinc/66/19/15/942661915.db2.gz RMWSMUPKZWQHLH-WIYYLYMNSA-N 1 3 351.494 3.632 20 0 FHADHO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420406029 942663538 /nfs/dbraw/zinc/66/35/38/942663538.db2.gz NIBKMQDWNKNVFW-UWVAXJGDSA-N 1 3 351.494 3.917 20 0 FHADHO O=C(CCN1CCCC[C@H]1[C@@H]1CC[NH2+]C1)Nc1cc(Cl)ccc1Cl ZINC000420409525 942665192 /nfs/dbraw/zinc/66/51/92/942665192.db2.gz XESHWCGJWBTYSZ-DYVFJYSZSA-N 1 3 370.324 3.786 20 0 FHADHO COc1ccc([C@H](C)NCc2ccc(OCC[NH+](C)C)cc2)c(C)c1OC ZINC000514105578 942748885 /nfs/dbraw/zinc/74/88/85/942748885.db2.gz SGAUAABASSMFCN-KRWDZBQOSA-N 1 3 372.509 3.803 20 0 FHADHO CCCN1CCN(c2ccccc2C[NH2+]CC(C)(C)c2cccnc2)CC1 ZINC000414552254 942806055 /nfs/dbraw/zinc/80/60/55/942806055.db2.gz CXDAMLBEFQXLHW-UHFFFAOYSA-N 1 3 366.553 3.681 20 0 FHADHO Cc1c([C@@H](C)NC2CCC([NH+](C)C)CC2)nnn1-c1cccc(Cl)c1 ZINC000421876745 942861266 /nfs/dbraw/zinc/86/12/66/942861266.db2.gz LBNYMNJZWNEICK-NVPAJSRCSA-N 1 3 361.921 3.753 20 0 FHADHO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CC1(N)CCCCC1 ZINC000414850414 942871880 /nfs/dbraw/zinc/87/18/80/942871880.db2.gz YYNCWLDVJHFZIB-ZDUSSCGKSA-N 1 3 357.420 3.674 20 0 FHADHO Cc1cc(C[N@H+]2CC[C@]3(CCN(C)C3)C2)cc(C)c1OCc1ccccn1 ZINC000430113728 942927002 /nfs/dbraw/zinc/92/70/02/942927002.db2.gz NNWWEKKREYJUMS-QHCPKHFHSA-N 1 3 365.521 3.805 20 0 FHADHO Cc1cc(C[N@@H+]2CC[C@]3(CCN(C)C3)C2)cc(C)c1OCc1ccccn1 ZINC000430113728 942927007 /nfs/dbraw/zinc/92/70/07/942927007.db2.gz NNWWEKKREYJUMS-QHCPKHFHSA-N 1 3 365.521 3.805 20 0 FHADHO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)N[C@@H](C[NH3+])C1CCCCC1 ZINC000414854228 942968749 /nfs/dbraw/zinc/96/87/49/942968749.db2.gz URZWZOFVYRETFD-KXBFYZLASA-N 1 3 365.949 3.574 20 0 FHADHO C[C@@H](N[C@@H](C)c1cccc(N2CCOCC2)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272664835 943197093 /nfs/dbraw/zinc/19/70/93/943197093.db2.gz IVPWQFADJDKAFI-QKNQBKEWSA-N 1 3 371.569 3.827 20 0 FHADHO C[C@@H](N[C@@H](C)c1cccc(N2CCOCC2)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000272664835 943197099 /nfs/dbraw/zinc/19/70/99/943197099.db2.gz IVPWQFADJDKAFI-QKNQBKEWSA-N 1 3 371.569 3.827 20 0 FHADHO C[C@@H]1C[C@@H](C)[N@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C[C@@H]1CN ZINC000422636162 943215853 /nfs/dbraw/zinc/21/58/53/943215853.db2.gz MOCKVJNSPDNZFR-GGPKGHCWSA-N 1 3 365.521 3.987 20 0 FHADHO C[C@@H]1C[C@@H](C)[N@@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C[C@@H]1CN ZINC000422636162 943215858 /nfs/dbraw/zinc/21/58/58/943215858.db2.gz MOCKVJNSPDNZFR-GGPKGHCWSA-N 1 3 365.521 3.987 20 0 FHADHO C[C@@H]1C[C@@H](C)N(CCC(=O)Nc2ccccc2-c2ccccc2)C[C@@H]1C[NH3+] ZINC000422636162 943215862 /nfs/dbraw/zinc/21/58/62/943215862.db2.gz MOCKVJNSPDNZFR-GGPKGHCWSA-N 1 3 365.521 3.987 20 0 FHADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCc1cc(Br)ccc1F ZINC000422700438 943237645 /nfs/dbraw/zinc/23/76/45/943237645.db2.gz HCCWEJOJBMGLOU-FZKQIMNGSA-N 1 3 365.290 3.679 20 0 FHADHO C[C@@H]1CC[NH2+]C[C@H]1NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000422726338 943260828 /nfs/dbraw/zinc/26/08/28/943260828.db2.gz DQBSBCJIIQFHAO-FZKQIMNGSA-N 1 3 356.341 3.545 20 0 FHADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCc1csc(-c2ccccc2)n1 ZINC000422777977 943279248 /nfs/dbraw/zinc/27/92/48/943279248.db2.gz DEUPHFFPHDFKOD-OXQOHEQNSA-N 1 3 351.519 3.901 20 0 FHADHO CN(C)c1cc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c2ccccc2n1 ZINC000422802862 943289129 /nfs/dbraw/zinc/28/91/29/943289129.db2.gz FELUGOJTGHRKDR-HSALFYBXSA-N 1 3 352.526 3.701 20 0 FHADHO Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@H](C)c2ccc(CN)nc2C)cc1 ZINC000422813375 943293249 /nfs/dbraw/zinc/29/32/49/943293249.db2.gz YAOXJGGZULUTEW-PERKRYKHSA-N 1 3 353.510 3.976 20 0 FHADHO COc1ccc(CN[C@@H](C)c2ccc(C[NH3+])nc2C)c(C(F)(F)F)c1 ZINC000422877549 943314345 /nfs/dbraw/zinc/31/43/45/943314345.db2.gz IAGWJFNDUBWQDV-NSHDSACASA-N 1 3 353.388 3.727 20 0 FHADHO CC(C)(CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)c1c(F)cccc1Cl ZINC000422916844 943330216 /nfs/dbraw/zinc/33/02/16/943330216.db2.gz BQXAAXKXGSDOKM-KBRIMQKVSA-N 1 3 354.897 3.503 20 0 FHADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC000422894381 943331423 /nfs/dbraw/zinc/33/14/23/943331423.db2.gz TVJJXKCQICGWAR-FXAWDEMLSA-N 1 3 355.457 3.685 20 0 FHADHO Clc1cccc(OCCN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422935748 943337824 /nfs/dbraw/zinc/33/78/24/943337824.db2.gz DNGYXISCDZPICL-AZUAARDMSA-N 1 3 358.869 3.564 20 0 FHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423017681 943365909 /nfs/dbraw/zinc/36/59/09/943365909.db2.gz PJGGTFLOQNZZQS-YXKWSERDSA-N 1 3 363.864 3.822 20 0 FHADHO CN1CC[C@H](C[NH2+][C@@H]2CCCC[C@H]2CN)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423021528 943367618 /nfs/dbraw/zinc/36/76/18/943367618.db2.gz FQMDLQUBULFPSO-OSGQAZFXSA-N 1 3 353.913 3.579 20 0 FHADHO CCCOC[C@H](Cc1cccc(Br)c1)N[C@H](C)C[C@@H](C)[NH3+] ZINC000423047868 943368470 /nfs/dbraw/zinc/36/84/70/943368470.db2.gz HJHGWFUYHVRLNA-CPUCHLNUSA-N 1 3 357.336 3.502 20 0 FHADHO N[C@@H]1CCC[C@@H]1[NH2+]CCOc1c(Cl)cc(Br)cc1Cl ZINC000423022826 943369304 /nfs/dbraw/zinc/36/93/04/943369304.db2.gz FZRHSUXOOHWYOM-NEPJUHHUSA-N 1 3 368.102 3.604 20 0 FHADHO CN1CC[C@H](C[NH2+][C@@H]2CCCCC[C@H]2N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423022945 943369262 /nfs/dbraw/zinc/36/92/62/943369262.db2.gz ISHIISYELWPADL-AXUOBQJMSA-N 1 3 353.913 3.722 20 0 FHADHO CN1CC[C@H](CN[C@@H]2CCCCC[C@H]2[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423022945 943369268 /nfs/dbraw/zinc/36/92/68/943369268.db2.gz ISHIISYELWPADL-AXUOBQJMSA-N 1 3 353.913 3.722 20 0 FHADHO CO[C@H](c1ccccc1F)[C@H](C)N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423033135 943372157 /nfs/dbraw/zinc/37/21/57/943372157.db2.gz WTCQNGZFQDGEPA-FYXRHKGBSA-N 1 3 370.468 3.747 20 0 FHADHO Cc1nc(COc2ccc(CN3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)cc2)cs1 ZINC000435386181 943373414 /nfs/dbraw/zinc/37/34/14/943373414.db2.gz VSTPETCJJDVVCS-FFZOFVMBSA-N 1 3 357.523 3.590 20 0 FHADHO COc1ccccc1[C@@H](C[NH2+][C@H](C)c1ccc(CN)nc1C)OC(C)C ZINC000423056922 943376881 /nfs/dbraw/zinc/37/68/81/943376881.db2.gz YGJILOLQTSTZJT-QVKFZJNVSA-N 1 3 357.498 3.674 20 0 FHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H](CN(C)Cc1ccccc1)C(C)C ZINC000423056854 943377118 /nfs/dbraw/zinc/37/71/18/943377118.db2.gz YURQOPUGMOIUMZ-XMSQKQJNSA-N 1 3 354.542 3.656 20 0 FHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H](CN(C)Cc1ccccc1)C(C)C ZINC000423056853 943377172 /nfs/dbraw/zinc/37/71/72/943377172.db2.gz YURQOPUGMOIUMZ-PGRDOPGGSA-N 1 3 354.542 3.656 20 0 FHADHO C[C@H](C[C@H](C)[NH3+])N[C@@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000423071053 943382156 /nfs/dbraw/zinc/38/21/56/943382156.db2.gz NXHRXIJYJYUARY-IYOUNJFTSA-N 1 3 362.315 3.843 20 0 FHADHO N[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3cccc(Br)c3)C2)c2ccccc21 ZINC000423088923 943390951 /nfs/dbraw/zinc/39/09/51/943390951.db2.gz RHKJVMHKHHAANZ-GDIGMMSISA-N 1 3 372.310 3.762 20 0 FHADHO c1cc(CN(Cc2ccc3c(c2)CCO3)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000414720144 943408718 /nfs/dbraw/zinc/40/87/18/943408718.db2.gz BDNQMSUWBXMLMV-HXUWFJFHSA-N 1 3 354.519 3.827 20 0 FHADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCc1cnc(SC2CCCC2)nc1 ZINC000423138521 943415748 /nfs/dbraw/zinc/41/57/48/943415748.db2.gz TVLRKXDNCZWZKK-UZLBHIALSA-N 1 3 370.566 3.602 20 0 FHADHO c1nc(SC2CCCC2)ncc1CCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423138506 943415997 /nfs/dbraw/zinc/41/59/97/943415997.db2.gz TUDJUQNWSRQAIO-IPMKNSEASA-N 1 3 360.571 3.564 20 0 FHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCc1cnc(SC2CCCC2)nc1 ZINC000423139571 943416453 /nfs/dbraw/zinc/41/64/53/943416453.db2.gz VNDMNZGGYJVYIM-AWEZNQCLSA-N 1 3 371.554 3.567 20 0 FHADHO CSc1ccc([C@H](CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)N(C)C)cc1 ZINC000423143894 943419170 /nfs/dbraw/zinc/41/91/70/943419170.db2.gz FJZQEBIXXUZZLP-BURNTYAHSA-N 1 3 361.599 3.912 20 0 FHADHO Brc1cccc2c1CC[C@@H]2NCCC[NH2+]Cc1cccnc1 ZINC000423190882 943437187 /nfs/dbraw/zinc/43/71/87/943437187.db2.gz RXMJSMZPQWXQKL-SFHVURJKSA-N 1 3 360.299 3.601 20 0 FHADHO Brc1ccc2c(c1)CC[C@H]2NCCC[NH2+]Cc1cccnc1 ZINC000423194046 943438010 /nfs/dbraw/zinc/43/80/10/943438010.db2.gz YDXGGVAGYRLEBJ-GOSISDBHSA-N 1 3 360.299 3.601 20 0 FHADHO C[C@H](N[C@@H]1CCCC[C@H]1C[NH3+])c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000423285164 943463881 /nfs/dbraw/zinc/46/38/81/943463881.db2.gz XSRCWWDMZCJMLP-WOGUSJMUSA-N 1 3 364.505 3.942 20 0 FHADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](NC[C@H]2NCCc4ccccc42)C3)cc1 ZINC000423437881 943519285 /nfs/dbraw/zinc/51/92/85/943519285.db2.gz ULNWMWYRAUIOHG-JTOYRKQZSA-N 1 3 361.533 3.659 20 0 FHADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](NC[C@H]2NCCc4ccccc42)C3)cc1 ZINC000423437881 943519289 /nfs/dbraw/zinc/51/92/89/943519289.db2.gz ULNWMWYRAUIOHG-JTOYRKQZSA-N 1 3 361.533 3.659 20 0 FHADHO Cn1nccc1[C@H]1CCC[C@@H]([NH2+]C[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)C1 ZINC000423482499 943528719 /nfs/dbraw/zinc/52/87/19/943528719.db2.gz XWOXEMUZJOJLGV-FMWKFLBASA-N 1 3 370.516 3.568 20 0 FHADHO CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000423528940 943537614 /nfs/dbraw/zinc/53/76/14/943537614.db2.gz PFSBQKFQZGWMNU-WCIFCTNGSA-N 1 3 369.553 3.709 20 0 FHADHO NC1(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)C2CC3CC(C2)CC1C3 ZINC000423531330 943539295 /nfs/dbraw/zinc/53/92/95/943539295.db2.gz SKMSKVYIQQTNOZ-WGDAXPMKSA-N 1 3 354.538 3.898 20 0 FHADHO CN(C)Cc1cccc(NC(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)c1 ZINC000431949939 943641662 /nfs/dbraw/zinc/64/16/62/943641662.db2.gz KFRDEOLDRSVOAV-HZPDHXFCSA-N 1 3 371.447 3.596 20 0 FHADHO CN(C)Cc1cccc(NC(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)c1 ZINC000431949939 943641665 /nfs/dbraw/zinc/64/16/65/943641665.db2.gz KFRDEOLDRSVOAV-HZPDHXFCSA-N 1 3 371.447 3.596 20 0 FHADHO CC(C)CN(C(=O)CC[C@@H]([NH3+])CC1CCCCC1)C1CCN(C)CC1 ZINC000424197143 943781866 /nfs/dbraw/zinc/78/18/66/943781866.db2.gz WHGWMOHPYJHAOI-LJQANCHMSA-N 1 3 351.579 3.643 20 0 FHADHO COc1ccccc1-c1nc(CN2CC3(C[C@H]2C)CC[NH2+]CC3)cs1 ZINC000424301903 943851382 /nfs/dbraw/zinc/85/13/82/943851382.db2.gz YFDOETDTNYKNNS-OAHLLOKOSA-N 1 3 357.523 3.783 20 0 FHADHO C[C@@H]1CC2(CN1Cc1nc3cc(C(F)(F)F)ccc3n1C)CC[NH2+]CC2 ZINC000424375315 943885503 /nfs/dbraw/zinc/88/55/03/943885503.db2.gz JKMIBAKACAMQLP-CYBMUJFWSA-N 1 3 366.431 3.556 20 0 FHADHO CCN(C(=O)Nc1cc(C)cc(C[NH3+])c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000424426111 943922345 /nfs/dbraw/zinc/92/23/45/943922345.db2.gz LJPSJECIULDUEH-NRFANRHFSA-N 1 3 366.509 3.582 20 0 FHADHO CC(C)Oc1ccc2nccc(N3CCO[C@H](CCC[NH+](C)C)C3)c2c1 ZINC000664654156 944085455 /nfs/dbraw/zinc/08/54/55/944085455.db2.gz FOCDJJJQHHRATH-GOSISDBHSA-N 1 3 357.498 3.569 20 0 FHADHO NC[C@H]1CCCC[C@H]1[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000414811385 944094351 /nfs/dbraw/zinc/09/43/51/944094351.db2.gz WBLVONGLOQTMDF-AUUYWEPGSA-N 1 3 353.913 3.551 20 0 FHADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000414811391 944095150 /nfs/dbraw/zinc/09/51/50/944095150.db2.gz WBLVONGLOQTMDF-LIRRHRJNSA-N 1 3 353.913 3.551 20 0 FHADHO FC(F)(F)[C@H](CCNCc1cc(C2CC[NH2+]CC2)no1)c1ccccc1 ZINC000425897887 944115113 /nfs/dbraw/zinc/11/51/13/944115113.db2.gz WQPLSAQHSRSFFF-QGZVFWFLSA-N 1 3 367.415 3.967 20 0 FHADHO COc1cc(CN[C@H]2CCCC[C@@H]2C[NH3+])ccc1OCc1cccs1 ZINC000414814961 944121833 /nfs/dbraw/zinc/12/18/33/944121833.db2.gz ZQAKBCGYHJFVNK-AEFFLSMTSA-N 1 3 360.523 3.943 20 0 FHADHO Cc1ccc([C@H]2CCC[C@@H]2[N@@H+](C)CCCN2CCN(C(C)C)CC2)cc1 ZINC000500116946 944123496 /nfs/dbraw/zinc/12/34/96/944123496.db2.gz PIAURPGFSADTIQ-PKTZIBPZSA-N 1 3 357.586 3.979 20 0 FHADHO Cc1ccc([C@H]2CCC[C@@H]2[N@H+](C)CCCN2CCN(C(C)C)CC2)cc1 ZINC000500116946 944123500 /nfs/dbraw/zinc/12/35/00/944123500.db2.gz PIAURPGFSADTIQ-PKTZIBPZSA-N 1 3 357.586 3.979 20 0 FHADHO CC(C)N1CCN(CCC[NH2+]C2(c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000500157686 944180959 /nfs/dbraw/zinc/18/09/59/944180959.db2.gz UUQKXUHHUSDQGI-UHFFFAOYSA-N 1 3 370.368 3.988 20 0 FHADHO Cc1ccc([C@H](CNC(=O)CC[N@H+]2CCCC[C@H]2C)N2CCCC2)cc1 ZINC000550142804 944278107 /nfs/dbraw/zinc/27/81/07/944278107.db2.gz IUMAJDZYZUBIMM-CTNGQTDRSA-N 1 3 357.542 3.513 20 0 FHADHO Cc1ccc([C@H](CNC(=O)CC[N@@H+]2CCCC[C@H]2C)N2CCCC2)cc1 ZINC000550142804 944278115 /nfs/dbraw/zinc/27/81/15/944278115.db2.gz IUMAJDZYZUBIMM-CTNGQTDRSA-N 1 3 357.542 3.513 20 0 FHADHO CCC1(CNCc2c(Cl)cnn2C)CC[NH+](Cc2ccccc2)CC1 ZINC000436418824 944291299 /nfs/dbraw/zinc/29/12/99/944291299.db2.gz YEQXNRRWBTZWHD-UHFFFAOYSA-N 1 3 360.933 3.856 20 0 FHADHO CC(C)N1CCN(C2CC[NH+]([C@@H]3CC[C@@](C)(c4ccccc4)C3)CC2)CC1 ZINC000438108193 944346723 /nfs/dbraw/zinc/34/67/23/944346723.db2.gz XZRWKZXGROVBGO-DNQXCXABSA-N 1 3 369.597 3.987 20 0 FHADHO C[C@H](C[NH2+][C@H](C)c1cccc(OCc2cn3ccccc3n2)c1)CN(C)C ZINC000425951327 944362572 /nfs/dbraw/zinc/36/25/72/944362572.db2.gz MMFVNYMAGLXDJZ-QZTJIDSGSA-N 1 3 366.509 3.762 20 0 FHADHO OC1CC[NH+](Cc2ccccc2CN[C@@H](c2cccnc2)C2CCC2)CC1 ZINC000280782180 944407991 /nfs/dbraw/zinc/40/79/91/944407991.db2.gz GWRWHSQFEYDYSE-HSZRJFAPSA-N 1 3 365.521 3.669 20 0 FHADHO C[C@@H]1C[NH+](CCC2CCN(c3ccnc4ccccc43)CC2)C[C@@H](C)O1 ZINC000426392487 944639413 /nfs/dbraw/zinc/63/94/13/944639413.db2.gz AOCVHPHJABYPKI-QZTJIDSGSA-N 1 3 353.510 3.951 20 0 FHADHO COc1cc(C[NH2+][C@@H](C)CN)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000414945020 944985648 /nfs/dbraw/zinc/98/56/48/944985648.db2.gz PJADEURWXNJLPN-ZDUSSCGKSA-N 1 3 368.399 3.730 20 0 FHADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccccc2N(C)C(C)C)[C@@H](C)C1 ZINC000437089044 945008134 /nfs/dbraw/zinc/00/81/34/945008134.db2.gz ABJAAKYNYWBMKT-PZJWPPBQSA-N 1 3 361.574 3.758 20 0 FHADHO Cc1ccccc1NC(=O)CC[NH+]1CCC(NCc2ccccc2)CC1 ZINC000660676158 945382784 /nfs/dbraw/zinc/38/27/84/945382784.db2.gz PGJUSTIHMSNZFF-UHFFFAOYSA-N 1 3 351.494 3.578 20 0 FHADHO Cc1nc(C(C)C)ccc1CN1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000519694030 945667626 /nfs/dbraw/zinc/66/76/26/945667626.db2.gz UWICRLHGRMVRAX-ROUUACIJSA-N 1 3 359.558 3.835 20 0 FHADHO CC(C)C[C@H](N)C(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000662755892 945887332 /nfs/dbraw/zinc/88/73/32/945887332.db2.gz GXRPBOMLPZNOPG-SFTDATJTSA-N 1 3 371.569 3.509 20 0 FHADHO CC[NH2+]Cc1cccc(NC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000415906721 945898733 /nfs/dbraw/zinc/89/87/33/945898733.db2.gz LKOBCVPZQMDZGX-OAQYLSRUSA-N 1 3 366.509 3.534 20 0 FHADHO C[C@H](Nc1cc[nH+]c2cc(C(F)(F)F)ccc12)[C@H](C)N1CCOCC1 ZINC000301802765 945973481 /nfs/dbraw/zinc/97/34/81/945973481.db2.gz UCNJWDOGNBCLNP-STQMWFEESA-N 1 3 353.388 3.775 20 0 FHADHO CC(C)[NH+]1CCC(N2CCN(CCCc3ccc(Cl)cc3)CC2)CC1 ZINC000441081239 946182741 /nfs/dbraw/zinc/18/27/41/946182741.db2.gz UKQQFTUGFZITEB-UHFFFAOYSA-N 1 3 363.977 3.763 20 0 FHADHO CC[C@H](NCC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1cccc(Cl)c1 ZINC000475132641 946468531 /nfs/dbraw/zinc/46/85/31/946468531.db2.gz AQFUZMQOZBPUHM-VQTJNVASSA-N 1 3 373.928 3.800 20 0 FHADHO C[C@@H]1CCN(Cc2ccccc2C[N@@H+]2CC[C@@H](C)O[C@@H](C)C2)C[C@H](C)O1 ZINC000661858745 946773567 /nfs/dbraw/zinc/77/35/67/946773567.db2.gz VAFDFYCDHBIYQK-ZRNYENFQSA-N 1 3 360.542 3.685 20 0 FHADHO C[C@@H]1CCN(Cc2ccccc2C[N@H+]2CC[C@@H](C)O[C@@H](C)C2)C[C@H](C)O1 ZINC000661858745 946773572 /nfs/dbraw/zinc/77/35/72/946773572.db2.gz VAFDFYCDHBIYQK-ZRNYENFQSA-N 1 3 360.542 3.685 20 0 FHADHO C[C@H]([NH2+]CCCCCCC[NH+]1CCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824584840 946832766 /nfs/dbraw/zinc/83/27/66/946832766.db2.gz IFBOHGIPUMTBPX-KRWDZBQOSA-N 1 3 356.518 3.564 20 0 FHADHO C[C@H]([NH2+]CCCCCCC[NH+]1CCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824584840 946832774 /nfs/dbraw/zinc/83/27/74/946832774.db2.gz IFBOHGIPUMTBPX-KRWDZBQOSA-N 1 3 356.518 3.564 20 0 FHADHO C[C@H](c1ncc(-c2ccccc2)o1)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652349620 946890042 /nfs/dbraw/zinc/89/00/42/946890042.db2.gz VWEGSEIOUWECAQ-BVBHFADKSA-N 1 3 355.482 3.621 20 0 FHADHO C[C@@H]1CCCN(Cc2ccc(C(=O)Nc3ccccc3)cc2)[C@H]1CC[NH3+] ZINC000652353721 946903668 /nfs/dbraw/zinc/90/36/68/946903668.db2.gz AQDAMXXMPVGQIR-UTKZUKDTSA-N 1 3 351.494 3.888 20 0 FHADHO COc1cnccc1N1CC[NH+](CC2CCC(C(F)(F)F)CC2)CC1 ZINC000475618590 947376386 /nfs/dbraw/zinc/37/63/86/947376386.db2.gz CBNFFRJZOAUJNI-UHFFFAOYSA-N 1 3 357.420 3.581 20 0 FHADHO CN(CC1=CCSC1)Cc1ccccc1C[N@H+](C)CC1=CCSC1 ZINC000662264845 947683771 /nfs/dbraw/zinc/68/37/71/947683771.db2.gz SPADXGBSYSIURE-UHFFFAOYSA-N 1 3 360.592 3.897 20 0 FHADHO CN(CC1=CCSC1)Cc1ccccc1C[N@@H+](C)CC1=CCSC1 ZINC000662264845 947683779 /nfs/dbraw/zinc/68/37/79/947683779.db2.gz SPADXGBSYSIURE-UHFFFAOYSA-N 1 3 360.592 3.897 20 0 FHADHO CN1CC[NH+](CC2(C)CCN(Cc3ccc(C(F)F)c(F)c3)CC2)CC1 ZINC000893563599 947717646 /nfs/dbraw/zinc/71/76/46/947717646.db2.gz GYUKEISLEOZCKQ-UHFFFAOYSA-N 1 3 369.475 3.613 20 0 FHADHO Cc1ccc(-c2noc([C@H](C)N3CCC[C@H](C4CC[NH2+]CC4)C3)n2)cc1F ZINC000662296801 947722077 /nfs/dbraw/zinc/72/20/77/947722077.db2.gz NMCNJHLWMFVXSI-YJBOKZPZSA-N 1 3 372.488 3.957 20 0 FHADHO Cc1cc(C)c(NC(=O)[C@@H](C)N2CCC[C@H](C3CC[NH2+]CC3)C2)c(C)c1 ZINC000662295797 947722151 /nfs/dbraw/zinc/72/21/51/947722151.db2.gz UMPUJROHPVGDMA-QUCCMNQESA-N 1 3 357.542 3.650 20 0 FHADHO Clc1ccsc1CN1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662327305 947760044 /nfs/dbraw/zinc/76/00/44/947760044.db2.gz MTIYRCJAKFGHSV-UHFFFAOYSA-N 1 3 364.946 3.971 20 0 FHADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2cccc3c2CNC3)cc1 ZINC000662389703 947774829 /nfs/dbraw/zinc/77/48/29/947774829.db2.gz ZOXCNTUOWHODQF-KRWDZBQOSA-N 1 3 363.505 3.594 20 0 FHADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2cccc3c2CNC3)cc1 ZINC000662389703 947774835 /nfs/dbraw/zinc/77/48/35/947774835.db2.gz ZOXCNTUOWHODQF-KRWDZBQOSA-N 1 3 363.505 3.594 20 0 FHADHO CCN(C(=O)c1cccc2c1CNC2)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000662503457 947873494 /nfs/dbraw/zinc/87/34/94/947873494.db2.gz UISGBFOBUSEULT-YLJYHZDGSA-N 1 3 363.505 3.587 20 0 FHADHO CCN(C(=O)c1cccc2c1CNC2)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000662503457 947873497 /nfs/dbraw/zinc/87/34/97/947873497.db2.gz UISGBFOBUSEULT-YLJYHZDGSA-N 1 3 363.505 3.587 20 0 FHADHO C[C@@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)c1ccc([S@](C)=O)cc1 ZINC000165321464 947890761 /nfs/dbraw/zinc/89/07/61/947890761.db2.gz CIKNKKMBIKVCEM-ZTEVPRNISA-N 1 3 370.562 3.639 20 0 FHADHO C[C@@H]1C[C@H]([NH2+]C[C@H]2CNCCC2(F)F)c2cccc(Br)c21 ZINC000925780779 948095548 /nfs/dbraw/zinc/09/55/48/948095548.db2.gz GPRLMSLVZVUILU-GYSYKLTISA-N 1 3 359.258 3.832 20 0 FHADHO C[C@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000432405035 948348448 /nfs/dbraw/zinc/34/84/48/948348448.db2.gz GNGNXRCYINJQOV-CABCVRRESA-N 1 3 360.420 3.737 20 0 FHADHO C[C@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000432405035 948348453 /nfs/dbraw/zinc/34/84/53/948348453.db2.gz GNGNXRCYINJQOV-CABCVRRESA-N 1 3 360.420 3.737 20 0 FHADHO CC[NH+](CC)CCC[C@@H](C)N1CCN(C[C@@H](OC)c2ccccc2)CC1 ZINC001167842406 948387209 /nfs/dbraw/zinc/38/72/09/948387209.db2.gz WYICSCVBDRJIFE-IFMALSPDSA-N 1 3 361.574 3.502 20 0 FHADHO FC(F)CN1CCC([NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)CC1 ZINC000520667045 948534953 /nfs/dbraw/zinc/53/49/53/948534953.db2.gz ZXKPPPPTGJXXMC-IBGZPJMESA-N 1 3 365.512 3.608 20 0 FHADHO C[C@H]1C[NH+](CC2CCN(Cc3ccccc3OCC3CC3)CC2)C[C@H](C)O1 ZINC000512188282 948741293 /nfs/dbraw/zinc/74/12/93/948741293.db2.gz XUMMJPJCNIOCLB-OALUTQOASA-N 1 3 372.553 3.797 20 0 FHADHO Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)CNC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000521426926 568009836 /nfs/dbraw/zinc/00/98/36/568009836.db2.gz UPMYQXMLHBNRSU-VTHDOGFWSA-N 1 3 374.569 3.637 20 0 FHADHO Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000521426926 568009838 /nfs/dbraw/zinc/00/98/38/568009838.db2.gz UPMYQXMLHBNRSU-VTHDOGFWSA-N 1 3 374.569 3.637 20 0 FHADHO Cc1c(F)cccc1-c1ccc(CNCCCC[N@@H+]2CCC[C@@H]2CO)o1 ZINC000604416634 568274692 /nfs/dbraw/zinc/27/46/92/568274692.db2.gz RXGFUPFTZHZVFQ-QGZVFWFLSA-N 1 3 360.473 3.721 20 0 FHADHO Cc1c(F)cccc1-c1ccc(CNCCCC[N@H+]2CCC[C@@H]2CO)o1 ZINC000604416634 568274693 /nfs/dbraw/zinc/27/46/93/568274693.db2.gz RXGFUPFTZHZVFQ-QGZVFWFLSA-N 1 3 360.473 3.721 20 0 FHADHO C[C@H](CCN1CCC[C@@]2(CCCOC2)C1)[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000431593753 568334260 /nfs/dbraw/zinc/33/42/60/568334260.db2.gz BOLXMWLSLLICTK-VSKRKVRLSA-N 1 3 364.574 3.550 20 0 FHADHO C[C@H](CCN1CCC[C@@]2(CCCOC2)C1)[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000431593753 568334261 /nfs/dbraw/zinc/33/42/61/568334261.db2.gz BOLXMWLSLLICTK-VSKRKVRLSA-N 1 3 364.574 3.550 20 0 FHADHO C[C@H](CC[N@@H+]1CCC[C@@]2(CCCOC2)C1)N1CCC[C@]2(CCCOC2)C1 ZINC000431593753 568334262 /nfs/dbraw/zinc/33/42/62/568334262.db2.gz BOLXMWLSLLICTK-VSKRKVRLSA-N 1 3 364.574 3.550 20 0 FHADHO C[C@H](CC[N@H+]1CCC[C@@]2(CCCOC2)C1)N1CCC[C@]2(CCCOC2)C1 ZINC000431593753 568334263 /nfs/dbraw/zinc/33/42/63/568334263.db2.gz BOLXMWLSLLICTK-VSKRKVRLSA-N 1 3 364.574 3.550 20 0 FHADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](NCCc2cnc(C4CC4)nc2)C3)cc1 ZINC000365239642 568348000 /nfs/dbraw/zinc/34/80/00/568348000.db2.gz WUUHKHUUEXFZPO-DKUWSORSSA-N 1 3 362.521 3.682 20 0 FHADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](NCCc2cnc(C4CC4)nc2)C3)cc1 ZINC000365239642 568348001 /nfs/dbraw/zinc/34/80/01/568348001.db2.gz WUUHKHUUEXFZPO-DKUWSORSSA-N 1 3 362.521 3.682 20 0 FHADHO Cc1c[nH+]c(N2CCC3(CC2)CN(Cc2cccs2)CCO3)cc1C ZINC001164706345 719899230 /nfs/dbraw/zinc/89/92/30/719899230.db2.gz IESFRXNGJHSYEG-UHFFFAOYSA-N 1 3 357.523 3.631 20 0 FHADHO Cc1cc(C)nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165027676 721800697 /nfs/dbraw/zinc/80/06/97/721800697.db2.gz XGACAQNEJTUVTF-JBACZVJFSA-N 1 3 350.510 3.830 20 0 FHADHO Cc1cc(C)nc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165027676 721800698 /nfs/dbraw/zinc/80/06/98/721800698.db2.gz XGACAQNEJTUVTF-JBACZVJFSA-N 1 3 350.510 3.830 20 0 FHADHO CN(C)c1cc[nH+]c(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)c1 ZINC001164992736 722199127 /nfs/dbraw/zinc/19/91/27/722199127.db2.gz AVRSPTSNJHVYKQ-NRFANRHFSA-N 1 3 354.473 3.532 20 0 FHADHO C[NH+](C)CCOc1cc(CN[C@@H]2CCCc3c4ccccc4[nH]c32)ccn1 ZINC000579767734 927364936 /nfs/dbraw/zinc/36/49/36/927364936.db2.gz KXTCTTVBLWQBBA-HXUWFJFHSA-N 1 3 364.493 3.671 20 0 FHADHO C[C@@H](NCc1cccc(C[NH+](C)C)c1)c1ccc(N2CCCC2=O)cc1 ZINC000123705946 937172914 /nfs/dbraw/zinc/17/29/14/937172914.db2.gz LLNVTDIZNVOZBI-QGZVFWFLSA-N 1 3 351.494 3.726 20 0 FHADHO CC(C)N1CCN(C2CC[NH+](CCSC3CCCCC3)CC2)CC1 ZINC000375595441 928355029 /nfs/dbraw/zinc/35/50/29/928355029.db2.gz DYSGQYVTFDZFHS-UHFFFAOYSA-N 1 3 353.620 3.543 20 0 FHADHO CN1CCC(O)(C[NH2+]Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)CC1 ZINC000077450169 929403360 /nfs/dbraw/zinc/40/33/60/929403360.db2.gz JLDMTKWRXMOSJA-UHFFFAOYSA-N 1 3 362.558 3.534 20 0 FHADHO Cc1ccccc1[C@H](CO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000683691587 929809091 /nfs/dbraw/zinc/80/90/91/929809091.db2.gz ZMSOIZSJBMVYPS-QXUYBEEESA-N 1 3 350.506 3.814 20 0 FHADHO C[C@H](CN1CCC[C@H](C)C1)[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000151958766 930050700 /nfs/dbraw/zinc/05/07/00/930050700.db2.gz DSQQRGQLEUACHY-RBUKOAKNSA-N 1 3 361.549 3.543 20 0 FHADHO CO[C@H]1CCCN(CC(C[N@@H+]2CCC[C@H](OC)CC2)c2ccccc2)CC1 ZINC000639582238 931567681 /nfs/dbraw/zinc/56/76/81/931567681.db2.gz FOYGYUDYXIWKPS-GOTSBHOMSA-N 1 3 374.569 3.772 20 0 FHADHO CO[C@H]1CCCN(CC(C[N@H+]2CCC[C@H](OC)CC2)c2ccccc2)CC1 ZINC000639582238 931567686 /nfs/dbraw/zinc/56/76/86/931567686.db2.gz FOYGYUDYXIWKPS-GOTSBHOMSA-N 1 3 374.569 3.772 20 0 FHADHO Cn1cc2c(n1)CCC[C@@H]2[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000581458113 932090608 /nfs/dbraw/zinc/09/06/08/932090608.db2.gz BUFMTWWHFJHMHJ-FPOVZHCZSA-N 1 3 352.526 3.689 20 0 FHADHO C[C@@H](N)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000430621868 932356870 /nfs/dbraw/zinc/35/68/70/932356870.db2.gz KSNWIHVQVYBVLF-DYESRHJHSA-N 1 3 351.494 3.884 20 0 FHADHO C[C@@H](N)[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000430621868 932356877 /nfs/dbraw/zinc/35/68/77/932356877.db2.gz KSNWIHVQVYBVLF-DYESRHJHSA-N 1 3 351.494 3.884 20 0 FHADHO CCOc1cccc(CN2CCC[C@H](C3CC[NH2+]CC3)C2)c1OC(F)F ZINC000656785567 932420521 /nfs/dbraw/zinc/42/05/21/932420521.db2.gz MGIOKCTXJNNMAB-INIZCTEOSA-N 1 3 368.468 3.898 20 0 FHADHO CCCN1CCC([NH2+]Cc2cccc(-c3nc(C(=O)OC)cs3)c2)CC1 ZINC000276735561 933100047 /nfs/dbraw/zinc/10/00/47/933100047.db2.gz FUTGUKCIKGGACJ-UHFFFAOYSA-N 1 3 373.522 3.561 20 0 FHADHO CCOc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)ccc1OC(F)F ZINC000131789063 933170587 /nfs/dbraw/zinc/17/05/87/933170587.db2.gz ILKKUBGMNHBQFX-MQVJKMGUSA-N 1 3 354.441 3.792 20 0 FHADHO C[C@H]1CN(CC2CC[NH+](CCSCc3ccccc3)CC2)C[C@H](C)O1 ZINC000430755736 933208855 /nfs/dbraw/zinc/20/88/55/933208855.db2.gz RNKWNAKPRHKDCW-OALUTQOASA-N 1 3 362.583 3.741 20 0 FHADHO CCCN1CCN(c2ccccc2C[NH+]2CCC(OCC(C)C)CC2)CC1 ZINC000510627510 933318056 /nfs/dbraw/zinc/31/80/56/933318056.db2.gz DCPBVEWAGHNVJK-UHFFFAOYSA-N 1 3 373.585 3.856 20 0 FHADHO C[NH2+]CC1CCN(CC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)CC1 ZINC000430962256 933503049 /nfs/dbraw/zinc/50/30/49/933503049.db2.gz GWDRZLQWVAFTHC-OAQYLSRUSA-N 1 3 371.569 3.579 20 0 FHADHO COc1cc(CN2CCC(CC[NH+](C)C)CC2)c(SC)cc1OC ZINC000092380944 934031539 /nfs/dbraw/zinc/03/15/39/934031539.db2.gz LOKWGQJLMWFNHE-UHFFFAOYSA-N 1 3 352.544 3.589 20 0 FHADHO CC1CCC(N2CCN(C(=O)c3ccc(C[NH+]4CCCC4)cc3)CC2)CC1 ZINC000569572692 934168449 /nfs/dbraw/zinc/16/84/49/934168449.db2.gz JBCTZHKREBSYQJ-UHFFFAOYSA-N 1 3 369.553 3.619 20 0 FHADHO CN(c1ccccc1CN1CCC[C@@H]1c1ccccn1)C1CC[NH+](C)CC1 ZINC000535780875 934370466 /nfs/dbraw/zinc/37/04/66/934370466.db2.gz YFLULBMVQWTFNE-HSZRJFAPSA-N 1 3 364.537 3.949 20 0 FHADHO CC1CC[NH+](Cc2ccc(CNC(=O)C[C@@H](N)c3ccccc3)cc2)CC1 ZINC000236634028 934755945 /nfs/dbraw/zinc/75/59/45/934755945.db2.gz IDEJKLSVRQYHPE-JOCHJYFZSA-N 1 3 365.521 3.625 20 0 FHADHO CCOc1cc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)ccc1OCC(F)(F)F ZINC000101591876 934843738 /nfs/dbraw/zinc/84/37/38/934843738.db2.gz MODNSPSXQAFNJF-HNNXBMFYSA-N 1 3 372.431 3.600 20 0 FHADHO C[NH+](C)Cc1ccc(-c2ccccc2CNCc2cnc3n2CCC3)cc1 ZINC000657303486 935041835 /nfs/dbraw/zinc/04/18/35/935041835.db2.gz PHAIXNVFQHWIFN-UHFFFAOYSA-N 1 3 360.505 3.848 20 0 FHADHO CC[C@H](CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccc(C)cc1 ZINC000157739784 935177317 /nfs/dbraw/zinc/17/73/17/935177317.db2.gz HHTWHIUKAREUBX-LJQANCHMSA-N 1 3 371.569 3.554 20 0 FHADHO CCOc1c(Cl)cc(CN2CC[C@H](C3CC[NH+](C)CC3)C2)cc1OC ZINC000582268320 935470301 /nfs/dbraw/zinc/47/03/01/935470301.db2.gz IULFWUVCBUXFOZ-KRWDZBQOSA-N 1 3 366.933 3.911 20 0 FHADHO Cc1cccc2[nH]c(CNCc3ccccc3C[NH+]3CCC(O)CC3)cc21 ZINC000657390317 935507723 /nfs/dbraw/zinc/50/77/23/935507723.db2.gz WIAQDSCXFRCGKW-UHFFFAOYSA-N 1 3 363.505 3.723 20 0 FHADHO CC(C)[C@@H](C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)N1CCCCC1 ZINC000519108706 945114721 /nfs/dbraw/zinc/11/47/21/945114721.db2.gz VPNSWUVOQPZFEX-NRFANRHFSA-N 1 3 357.542 3.774 20 0 FHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000582414394 935670957 /nfs/dbraw/zinc/67/09/57/935670957.db2.gz GQMIQXUEYMJIOS-BTYIYWSLSA-N 1 3 372.944 3.990 20 0 FHADHO CCC[C@H]1[C@H](C)CCCN1C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000582429030 935689083 /nfs/dbraw/zinc/68/90/83/935689083.db2.gz HWKVJDYMLCAFLJ-NQIIRXRSSA-N 1 3 363.590 3.610 20 0 FHADHO CCCN1CCN(c2ccccc2C[NH2+]CC[C@]2(C)CC2(F)F)CC1 ZINC000657671142 936216836 /nfs/dbraw/zinc/21/68/36/936216836.db2.gz KWNSCYHYXUFHMU-LJQANCHMSA-N 1 3 351.485 3.744 20 0 FHADHO Oc1ccc2c(c1)[C@@H](NCc1ccc(OCC[NH+]3CCCC3)cc1)CC2 ZINC000657692396 936256659 /nfs/dbraw/zinc/25/66/59/936256659.db2.gz UCSADIFAGBYLCX-QFIPXVFZSA-N 1 3 352.478 3.644 20 0 FHADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2c(C)cc(C)c(C(C)=O)c2C)C1 ZINC000472290734 938280802 /nfs/dbraw/zinc/28/08/02/938280802.db2.gz DDCLDALSGLKJSY-FQEVSTJZSA-N 1 3 360.542 3.747 20 0 FHADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(Cc3cnc(-c4cccs4)s3)C2)C1 ZINC000650708152 938287980 /nfs/dbraw/zinc/28/79/80/938287980.db2.gz UJUIIMUFPDVXQZ-SQWLQELKSA-N 1 3 363.552 3.590 20 0 FHADHO Cn1c2ccc(C(F)(F)F)cc2nc1CNCC1CC[NH+](C2CC2)CC1 ZINC000278295421 938290449 /nfs/dbraw/zinc/29/04/49/938290449.db2.gz CETOUHNUKWHLFX-UHFFFAOYSA-N 1 3 366.431 3.556 20 0 FHADHO CC[NH+](CC)CC1CCN(Cc2cc(=O)oc3c(C)c(C)ccc23)CC1 ZINC000728570077 938295124 /nfs/dbraw/zinc/29/51/24/938295124.db2.gz ATHXWHKNFJBCLI-UHFFFAOYSA-N 1 3 356.510 3.964 20 0 FHADHO C[C@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000133168072 938563779 /nfs/dbraw/zinc/56/37/79/938563779.db2.gz FREBINOEYLDKAT-GJZGRUSLSA-N 1 3 372.431 3.737 20 0 FHADHO Cc1cc(CN(C)C)cc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000536214314 938930231 /nfs/dbraw/zinc/93/02/31/938930231.db2.gz JQMCRCIQVRZMHM-NRFANRHFSA-N 1 3 365.521 3.907 20 0 FHADHO Cc1cc(CN(C)C)cc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000536214314 938930236 /nfs/dbraw/zinc/93/02/36/938930236.db2.gz JQMCRCIQVRZMHM-NRFANRHFSA-N 1 3 365.521 3.907 20 0 FHADHO COCC[N@H+](C)CCCC1CCN(Cc2cnc(C(C)C)s2)CC1 ZINC000093769396 938930294 /nfs/dbraw/zinc/93/02/94/938930294.db2.gz LCCDGFYBRISSPT-UHFFFAOYSA-N 1 3 353.576 3.837 20 0 FHADHO COCC[N@@H+](C)CCCC1CCN(Cc2cnc(C(C)C)s2)CC1 ZINC000093769396 938930296 /nfs/dbraw/zinc/93/02/96/938930296.db2.gz LCCDGFYBRISSPT-UHFFFAOYSA-N 1 3 353.576 3.837 20 0 FHADHO c1cncc([C@@H]2CCCN2Cc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000685451771 938987454 /nfs/dbraw/zinc/98/74/54/938987454.db2.gz AOZCJOZVYNIQSA-QFIPXVFZSA-N 1 3 351.494 3.893 20 0 FHADHO CCN(Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000685456669 938987769 /nfs/dbraw/zinc/98/77/69/938987769.db2.gz BJOUTMORZPUXMM-UHFFFAOYSA-N 1 3 365.521 3.663 20 0 FHADHO Cc1ccc(CN(C)C)cc1NC(=O)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000611977035 939009455 /nfs/dbraw/zinc/00/94/55/939009455.db2.gz AQJQBAUTSXBQAA-NRFANRHFSA-N 1 3 365.521 3.875 20 0 FHADHO CC[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000658004351 939018521 /nfs/dbraw/zinc/01/85/21/939018521.db2.gz YLGLGWYNWOZEEH-GOSISDBHSA-N 1 3 371.491 3.642 20 0 FHADHO Cc1nc(C(C)C)sc1[C@@H](C)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658137368 939040964 /nfs/dbraw/zinc/04/09/64/939040964.db2.gz GNMCBWBTJLJDSS-BEFAXECRSA-N 1 3 373.566 3.992 20 0 FHADHO Cc1nc(C(C)C)sc1[C@@H](C)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658137368 939040966 /nfs/dbraw/zinc/04/09/66/939040966.db2.gz GNMCBWBTJLJDSS-BEFAXECRSA-N 1 3 373.566 3.992 20 0 FHADHO O[C@H]1CC[N@H+](Cc2ccc(CN[C@H]3CCc4ccc(Cl)cc43)cc2)C1 ZINC000658138846 939041071 /nfs/dbraw/zinc/04/10/71/939041071.db2.gz OOICFGUOBJSCFK-FPOVZHCZSA-N 1 3 356.897 3.684 20 0 FHADHO O[C@H]1CC[N@@H+](Cc2ccc(CN[C@H]3CCc4ccc(Cl)cc43)cc2)C1 ZINC000658138846 939041075 /nfs/dbraw/zinc/04/10/75/939041075.db2.gz OOICFGUOBJSCFK-FPOVZHCZSA-N 1 3 356.897 3.684 20 0 FHADHO CC(C)CO[C@@H]1C[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C1(C)C ZINC000658165317 939053970 /nfs/dbraw/zinc/05/39/70/939053970.db2.gz ILTRZGCBOVEZCV-LEWJYISDSA-N 1 3 359.558 3.723 20 0 FHADHO Fc1ccc2c(c1)[C@H]([NH2+]CC1CCN(Cc3ccncc3)CC1)CCCO2 ZINC000658168822 939055537 /nfs/dbraw/zinc/05/55/37/939055537.db2.gz ZIUJGNRIFKGIDJ-OAQYLSRUSA-N 1 3 369.484 3.936 20 0 FHADHO COc1cc2c(cc1F)CC[C@@H]2[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658168811 939055651 /nfs/dbraw/zinc/05/56/51/939055651.db2.gz ZHRCASFBGJEWOT-NRFANRHFSA-N 1 3 369.484 3.718 20 0 FHADHO c1cc2n(n1)CCC[C@@H]2[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000658318655 939110405 /nfs/dbraw/zinc/11/04/05/939110405.db2.gz RLZYJGXXFRZCPN-PMACEKPBSA-N 1 3 350.510 3.610 20 0 FHADHO C[C@@H]([NH2+]CC1CCN(Cc2ccccc2Cl)CC1)[C@H]1CCCOC1 ZINC000507516746 945279890 /nfs/dbraw/zinc/27/98/90/945279890.db2.gz XRFACYNMPBNZGU-APWZRJJASA-N 1 3 350.934 3.957 20 0 FHADHO FC(F)(F)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)CCO1 ZINC000289772830 940394391 /nfs/dbraw/zinc/39/43/91/940394391.db2.gz JXNXCSJGKAVFTM-FHWLQOOXSA-N 1 3 370.459 3.988 20 0 FHADHO COc1ccc([C@H](C)[NH2+]C2CCN(CC(C)C)CC2)cc1Cn1cccn1 ZINC000177836746 940459752 /nfs/dbraw/zinc/45/97/52/940459752.db2.gz VEJFDAZVJYHDHX-SFHVURJKSA-N 1 3 370.541 3.711 20 0 FHADHO CC[C@@H]([NH2+]C1CCN(CC2CC2)CC1)c1cc(OC)c(OC)c(OC)c1 ZINC000652141608 945345355 /nfs/dbraw/zinc/34/53/55/945345355.db2.gz VEYSHFCFHFDABH-GOSISDBHSA-N 1 3 362.514 3.628 20 0 FHADHO CO[C@H]1c2ccccc2C[C@H]1N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000414221434 940791972 /nfs/dbraw/zinc/79/19/72/940791972.db2.gz KWWXSFIBFFHUSS-TZMOSPSESA-N 1 3 350.506 3.799 20 0 FHADHO CO[C@H]1c2ccccc2C[C@H]1N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000414221434 940791978 /nfs/dbraw/zinc/79/19/78/940791978.db2.gz KWWXSFIBFFHUSS-TZMOSPSESA-N 1 3 350.506 3.799 20 0 FHADHO CN(C)[C@H](CNC(=O)C[NH2+][C@H](c1ccccc1)C(C)(C)C)c1ccccc1 ZINC001167698711 941029598 /nfs/dbraw/zinc/02/95/98/941029598.db2.gz BQKMVKPCKHUTTB-IFMALSPDSA-N 1 3 367.537 3.783 20 0 FHADHO C[C@H]1C[NH2+]C[C@H](NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000647550416 941071589 /nfs/dbraw/zinc/07/15/89/941071589.db2.gz PULLIFLSHMJKRR-CZUORRHYSA-N 1 3 356.341 3.545 20 0 FHADHO C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624121018 941252606 /nfs/dbraw/zinc/25/26/06/941252606.db2.gz LTHDDHGSBGDLQD-DZGCQCFKSA-N 1 3 357.311 3.841 20 0 FHADHO COc1cccc([C@H](NC[C@@H]2CC[NH2+][C@H](C)C2)c2cc(F)ccc2OC)c1 ZINC000415086380 941595218 /nfs/dbraw/zinc/59/52/18/941595218.db2.gz RNXITXQPZCRKML-MCFFVMPBSA-N 1 3 372.484 3.910 20 0 FHADHO COc1cc(CN2CC[C@H](C)[C@H](C[NH3+])C2)c(-c2ccccc2)cc1OC ZINC000415122818 941619068 /nfs/dbraw/zinc/61/90/68/941619068.db2.gz ISBPKYXSLJGHMX-QFBILLFUSA-N 1 3 354.494 3.788 20 0 FHADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@H]2CCC(F)(F)C2)CC1 ZINC000430005895 941804474 /nfs/dbraw/zinc/80/44/74/941804474.db2.gz ODFFDNLNCSEVIN-KRWDZBQOSA-N 1 3 351.485 3.744 20 0 FHADHO CN1CC[NH+]([C@H]2CCCCN(CCCc3c(F)cccc3Cl)C2)CC1 ZINC000377619204 941848351 /nfs/dbraw/zinc/84/83/51/941848351.db2.gz CGSSXJKPFFNESI-KRWDZBQOSA-N 1 3 367.940 3.514 20 0 FHADHO CCC[N@H+](CCc1ccccn1)Cc1nc2c(s1)CN(C(C)C)CC2 ZINC000377620898 941851521 /nfs/dbraw/zinc/85/15/21/941851521.db2.gz FVSYGPRIZRARCA-UHFFFAOYSA-N 1 3 358.555 3.759 20 0 FHADHO CCC[N@@H+](CCc1ccccn1)Cc1nc2c(s1)CN(C(C)C)CC2 ZINC000377620898 941851525 /nfs/dbraw/zinc/85/15/25/941851525.db2.gz FVSYGPRIZRARCA-UHFFFAOYSA-N 1 3 358.555 3.759 20 0 FHADHO Cc1noc(CCC[NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)n1 ZINC000513655722 942058230 /nfs/dbraw/zinc/05/82/30/942058230.db2.gz NYLFQFGOXHCEIC-NJDAHSKKSA-N 1 3 368.525 3.591 20 0 FHADHO CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)CN(C)Cc2ccccc2)cc1 ZINC000513672650 942066825 /nfs/dbraw/zinc/06/68/25/942066825.db2.gz SSQLUHPIEWVKST-LJQANCHMSA-N 1 3 367.537 3.779 20 0 FHADHO CC[NH2+]Cc1cccc(NC(=O)N2CCN(C3CCC(C)CC3)CC2)c1 ZINC000415902212 942120146 /nfs/dbraw/zinc/12/01/46/942120146.db2.gz CVLVZFSHGHLBRL-UHFFFAOYSA-N 1 3 358.530 3.524 20 0 FHADHO CC[NH2+]Cc1cccc(NC(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)c1 ZINC000415905897 942134053 /nfs/dbraw/zinc/13/40/53/942134053.db2.gz JDBYDUSHAWTVHZ-DYESRHJHSA-N 1 3 366.509 3.581 20 0 FHADHO C[NH2+]Cc1cccc(NC(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)c1 ZINC000415917689 942143188 /nfs/dbraw/zinc/14/31/88/942143188.db2.gz JSBOZECTQHYROA-OAQYLSRUSA-N 1 3 366.509 3.673 20 0 FHADHO CC[NH2+]Cc1ccccc1NC(=O)NC[C@H](N[C@@H](C)CC)c1ccco1 ZINC000415933015 942158699 /nfs/dbraw/zinc/15/86/99/942158699.db2.gz PCFULFBGHRTTMU-YJBOKZPZSA-N 1 3 358.486 3.640 20 0 FHADHO C[NH2+]Cc1cccc(NC(=O)N(Cc2ccccc2)C2CCN(C)CC2)c1 ZINC000415942738 942174591 /nfs/dbraw/zinc/17/45/91/942174591.db2.gz KBLXHCAHQLJIDG-UHFFFAOYSA-N 1 3 366.509 3.534 20 0 FHADHO CC[NH2+]Cc1ccccc1NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000415964286 942202533 /nfs/dbraw/zinc/20/25/33/942202533.db2.gz ZNWHFRLIILKUOS-HXUWFJFHSA-N 1 3 366.509 3.534 20 0 FHADHO C[NH2+]Cc1ccc(NC(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000415974143 942210993 /nfs/dbraw/zinc/21/09/93/942210993.db2.gz PYJJPEOHLANJRW-OAQYLSRUSA-N 1 3 366.509 3.534 20 0 FHADHO C[NH2+]Cc1ccc(NC(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)cc1 ZINC000415970481 942216370 /nfs/dbraw/zinc/21/63/70/942216370.db2.gz IFFXQOCSTVRLMU-NRFANRHFSA-N 1 3 366.509 3.673 20 0 FHADHO CC[NH+]1CCC(N2CCCN([C@@H](C)c3ccc(F)cc3F)CC2)CC1 ZINC000420983756 942282161 /nfs/dbraw/zinc/28/21/61/942282161.db2.gz RLKHYUINYRKRDQ-INIZCTEOSA-N 1 3 351.485 3.518 20 0 FHADHO CC[NH+]1CCC(N2CCCN([C@H](C)c3cc(F)ccc3F)CC2)CC1 ZINC000420984673 942282640 /nfs/dbraw/zinc/28/26/40/942282640.db2.gz UGIHLAASGLCOAP-MRXNPFEDSA-N 1 3 351.485 3.518 20 0 FHADHO CO[C@H](CN[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C)c1ccc(Cl)cc1 ZINC000378183674 942369855 /nfs/dbraw/zinc/36/98/55/942369855.db2.gz JKJCOJMRSZMWMZ-XWPNQZOQSA-N 1 3 366.933 3.507 20 0 FHADHO CO[C@H](CN[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C)c1ccc(Cl)cc1 ZINC000378183674 942369859 /nfs/dbraw/zinc/36/98/59/942369859.db2.gz JKJCOJMRSZMWMZ-XWPNQZOQSA-N 1 3 366.933 3.507 20 0 FHADHO COc1cc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)ccc1OC1CCCC1 ZINC000513712240 942413170 /nfs/dbraw/zinc/41/31/70/942413170.db2.gz AYZXVFOIAOIAGY-ZCNNSNEGSA-N 1 3 358.526 3.979 20 0 FHADHO COc1cc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)ccc1OC1CCCC1 ZINC000513712240 942413172 /nfs/dbraw/zinc/41/31/72/942413172.db2.gz AYZXVFOIAOIAGY-ZCNNSNEGSA-N 1 3 358.526 3.979 20 0 FHADHO COc1cc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)ccc1OC1CCCC1 ZINC000513712240 942413181 /nfs/dbraw/zinc/41/31/81/942413181.db2.gz AYZXVFOIAOIAGY-ZCNNSNEGSA-N 1 3 358.526 3.979 20 0 FHADHO COc1cc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)ccc1OC1CCCC1 ZINC000513712238 942413383 /nfs/dbraw/zinc/41/33/83/942413383.db2.gz AYZXVFOIAOIAGY-VAMGGRTRSA-N 1 3 358.526 3.979 20 0 FHADHO COc1cc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)ccc1OC1CCCC1 ZINC000513712238 942413388 /nfs/dbraw/zinc/41/33/88/942413388.db2.gz AYZXVFOIAOIAGY-VAMGGRTRSA-N 1 3 358.526 3.979 20 0 FHADHO COc1cc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)ccc1OC1CCCC1 ZINC000513712238 942413391 /nfs/dbraw/zinc/41/33/91/942413391.db2.gz AYZXVFOIAOIAGY-VAMGGRTRSA-N 1 3 358.526 3.979 20 0 FHADHO CCc1cc(OC)ccc1CNCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000501479856 942503772 /nfs/dbraw/zinc/50/37/72/942503772.db2.gz NZHYVBZOSIMLBF-UHFFFAOYSA-N 1 3 368.521 3.504 20 0 FHADHO Cc1ccc(NC(=O)C[C@@H](C)N[C@H](C[NH3+])C2CCCCC2)c(Cl)c1 ZINC000414832548 942505664 /nfs/dbraw/zinc/50/56/64/942505664.db2.gz DSWYTYAILLJXCD-RDTXWAMCSA-N 1 3 351.922 3.863 20 0 FHADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000468655425 942527914 /nfs/dbraw/zinc/52/79/14/942527914.db2.gz KVIFMNDEZOFVBH-KDURUIRLSA-N 1 3 357.542 3.552 20 0 FHADHO CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)cc1 ZINC000513825098 942555153 /nfs/dbraw/zinc/55/51/53/942555153.db2.gz VZRZWQAUJSAMAO-GCJKJVERSA-N 1 3 367.537 3.950 20 0 FHADHO COc1ccc([C@@H](C[NH3+])CN2CCC[C@H]2c2ccc(OC)cc2OC)cc1 ZINC000420301006 942610899 /nfs/dbraw/zinc/61/08/99/942610899.db2.gz IHPFAQNYCHGSDM-UWJYYQICSA-N 1 3 370.493 3.592 20 0 FHADHO Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000420341004 942625007 /nfs/dbraw/zinc/62/50/07/942625007.db2.gz PPIGJJBEOWQBGT-RZUBCFFCSA-N 1 3 363.505 3.606 20 0 FHADHO COc1ccc([C@@H](CN)C[N@@H+]2CCC[C@H]2c2cccc(N(C)C)c2)cc1 ZINC000420328222 942630618 /nfs/dbraw/zinc/63/06/18/942630618.db2.gz ZQGHMLSORAMYLT-UGKGYDQZSA-N 1 3 353.510 3.641 20 0 FHADHO COc1ccc([C@@H](CN)C[N@H+]2CCC[C@H]2c2cccc(N(C)C)c2)cc1 ZINC000420328222 942630622 /nfs/dbraw/zinc/63/06/22/942630622.db2.gz ZQGHMLSORAMYLT-UGKGYDQZSA-N 1 3 353.510 3.641 20 0 FHADHO C[C@H](c1ccccc1Br)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420378289 942646400 /nfs/dbraw/zinc/64/64/00/942646400.db2.gz LZCCMUIPEYCLMB-FSPWUOQZSA-N 1 3 367.331 3.728 20 0 FHADHO [NH3+]C[C@@H](NCCC(=O)Nc1cccc(C(F)(F)F)c1)C1CCCCC1 ZINC000420381749 942647571 /nfs/dbraw/zinc/64/75/71/942647571.db2.gz ZJJRUBXTWAMIDC-MRXNPFEDSA-N 1 3 357.420 3.531 20 0 FHADHO CC(=O)c1c(C)cc(C)c(CN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c1C ZINC000420391035 942652979 /nfs/dbraw/zinc/65/29/79/942652979.db2.gz NSJGPIAMLNXTHC-CTNGQTDRSA-N 1 3 358.526 3.533 20 0 FHADHO O=C(CCN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)Nc1cccc2ccccc21 ZINC000647901937 942664285 /nfs/dbraw/zinc/66/42/85/942664285.db2.gz XQSGQFNUNRJVHP-ICSRJNTNSA-N 1 3 351.494 3.632 20 0 FHADHO C[NH+](C)CCCC1CCN([C@@H](C(=O)N2CCCCC2)c2ccccc2)CC1 ZINC000501774932 942666755 /nfs/dbraw/zinc/66/67/55/942666755.db2.gz LQDUAEJWLBFDTC-JOCHJYFZSA-N 1 3 371.569 3.794 20 0 FHADHO Cc1cc([C@@H](C)[NH2+]CC2CCN(Cc3ccccc3Cl)CC2)nn1C ZINC000502725466 942696186 /nfs/dbraw/zinc/69/61/86/942696186.db2.gz UVTYWFKWDOGKQD-MRXNPFEDSA-N 1 3 360.933 3.945 20 0 FHADHO C[C@@H](CC[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)N1CCCCC1 ZINC000183226536 942844983 /nfs/dbraw/zinc/84/49/83/942844983.db2.gz YEPQEECPZLKEDY-AOCRQIFASA-N 1 3 353.551 3.676 20 0 FHADHO OC1(CCC[NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCC1 ZINC000421848229 942858572 /nfs/dbraw/zinc/85/85/72/942858572.db2.gz AEPQQUKEXMVYHA-FDFHNCONSA-N 1 3 356.554 3.962 20 0 FHADHO C[N@H+]1CC=C(CNCc2cc(Cl)ccc2OCc2cccnc2)CC1 ZINC000271789677 943050682 /nfs/dbraw/zinc/05/06/82/943050682.db2.gz GHVHPEPGXYOYPJ-UHFFFAOYSA-N 1 3 357.885 3.666 20 0 FHADHO C[N@@H+]1CC=C(CNCc2cc(Cl)ccc2OCc2cccnc2)CC1 ZINC000271789677 943050691 /nfs/dbraw/zinc/05/06/91/943050691.db2.gz GHVHPEPGXYOYPJ-UHFFFAOYSA-N 1 3 357.885 3.666 20 0 FHADHO C[C@@H](NC(=O)c1ccc(Nc2ccncc2)cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000505573436 943057793 /nfs/dbraw/zinc/05/77/93/943057793.db2.gz BTGHUHRLRLJTBV-VGSWGCGISA-N 1 3 374.488 3.668 20 0 FHADHO Cc1ccn(C2CCN(CC(C)(C)C[N@H+](C)Cc3ccccc3)CC2)n1 ZINC000435061822 943135373 /nfs/dbraw/zinc/13/53/73/943135373.db2.gz UNTVXYXDTRHRRB-UHFFFAOYSA-N 1 3 354.542 3.987 20 0 FHADHO Cc1ccn(C2CCN(CC(C)(C)C[N@@H+](C)Cc3ccccc3)CC2)n1 ZINC000435061822 943135376 /nfs/dbraw/zinc/13/53/76/943135376.db2.gz UNTVXYXDTRHRRB-UHFFFAOYSA-N 1 3 354.542 3.987 20 0 FHADHO c1ccc(-c2noc([C@H](c3ccccc3)N3CC[C@H]4C[NH2+]C[C@H]4CC3)n2)cc1 ZINC000514673380 943205384 /nfs/dbraw/zinc/20/53/84/943205384.db2.gz JHAFCWKSFCEUHF-HBMCJLEFSA-N 1 3 374.488 3.757 20 0 FHADHO CCOc1cc(CN[C@@H](C)c2ccc(C[NH3+])nc2C)ccc1OC(F)F ZINC000422688905 943244711 /nfs/dbraw/zinc/24/47/11/943244711.db2.gz DOECXFVJNHPEGM-LBPRGKRZSA-N 1 3 365.424 3.700 20 0 FHADHO COc1ccc([C@H](C)NCc2ccccc2C[NH+]2CCC(O)CC2)cc1C ZINC000272955439 943250586 /nfs/dbraw/zinc/25/05/86/943250586.db2.gz QVVQGTFLMJEFKQ-SFHVURJKSA-N 1 3 368.521 3.811 20 0 FHADHO CCOC(=O)C1([C@@H](C)N[C@@H](C)c2cccc(Cl)c2Cl)CC[NH2+]CC1 ZINC000422754885 943274178 /nfs/dbraw/zinc/27/41/78/943274178.db2.gz GGTODWGUWMMZIE-QWHCGFSZSA-N 1 3 373.324 3.965 20 0 FHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H](C)COc1ccccc1C(F)(F)F ZINC000422769603 943277036 /nfs/dbraw/zinc/27/70/36/943277036.db2.gz VRQRTRKSRHRLAE-OLZOCXBDSA-N 1 3 367.415 3.986 20 0 FHADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCc1csc(-c2ccccc2)n1 ZINC000422777976 943278911 /nfs/dbraw/zinc/27/89/11/943278911.db2.gz DEUPHFFPHDFKOD-OXJNMPFZSA-N 1 3 351.519 3.901 20 0 FHADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCc1ccccc1COc1ccccc1Cl ZINC000422775705 943279260 /nfs/dbraw/zinc/27/92/60/943279260.db2.gz BIJITLSDLSZPDZ-CVAIRZPRSA-N 1 3 374.912 3.761 20 0 FHADHO C[C@@H](CCC[NH3+])N[C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000422781540 943280950 /nfs/dbraw/zinc/28/09/50/943280950.db2.gz FFVIDRUALBUZHC-XOBRGWDASA-N 1 3 360.885 3.918 20 0 FHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000422785278 943282366 /nfs/dbraw/zinc/28/23/66/943282366.db2.gz NFWPBGCFPAEMGS-OAHLLOKOSA-N 1 3 372.944 3.817 20 0 FHADHO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@H](Cc1ccccc1)[C@@H](C)N ZINC000422786274 943282764 /nfs/dbraw/zinc/28/27/64/943282764.db2.gz KRRUPYNRSJLVFE-UZUQRXQVSA-N 1 3 362.521 3.596 20 0 FHADHO C[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)Oc1cccc(Br)c1 ZINC000422799555 943287732 /nfs/dbraw/zinc/28/77/32/943287732.db2.gz XFVMQOXONMSJFK-NKGKWGDASA-N 1 3 367.331 3.727 20 0 FHADHO C[C@@]1(C[NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)CCCS1 ZINC000628295840 943291106 /nfs/dbraw/zinc/29/11/06/943291106.db2.gz MLNUHIQPOGTJLA-SFTDATJTSA-N 1 3 374.594 3.791 20 0 FHADHO Cc1ccc([C@H](C[NH2+][C@@H](Cc2ccccc2)[C@H](C)N)N2CCCC2)cc1 ZINC000422822305 943296406 /nfs/dbraw/zinc/29/64/06/943296406.db2.gz AODMPWHEOFKLFN-VJBMBRPKSA-N 1 3 351.538 3.680 20 0 FHADHO CC(C)c1nc(C[N@@H+]2CC[C@@H](n3cnc4c3CCCC4)C2)c2ccccn21 ZINC000514803169 943303079 /nfs/dbraw/zinc/30/30/79/943303079.db2.gz PCQYVCCGCNYGEN-QGZVFWFLSA-N 1 3 363.509 3.980 20 0 FHADHO CC(C)c1nc(C[N@H+]2CC[C@@H](n3cnc4c3CCCC4)C2)c2ccccn21 ZINC000514803169 943303085 /nfs/dbraw/zinc/30/30/85/943303085.db2.gz PCQYVCCGCNYGEN-QGZVFWFLSA-N 1 3 363.509 3.980 20 0 FHADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000422850933 943305533 /nfs/dbraw/zinc/30/55/33/943305533.db2.gz WIPKCGCMAWYPKC-XLIONFOSSA-N 1 3 355.457 3.685 20 0 FHADHO Cc1c(Cl)cccc1NC(=O)CCN[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000422857058 943307003 /nfs/dbraw/zinc/30/70/03/943307003.db2.gz GODXGLSZFBDWMM-GOEBONIOSA-N 1 3 351.922 3.877 20 0 FHADHO N[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000422841646 943311666 /nfs/dbraw/zinc/31/16/66/943311666.db2.gz DJWRQLJXZSMHRC-WOJBJXKFSA-N 1 3 355.457 3.828 20 0 FHADHO NC[C@H]1CCC[C@@H]1[NH2+]CC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000422877242 943313683 /nfs/dbraw/zinc/31/36/83/943313683.db2.gz HMEDQUYWKIPEHG-DYVFJYSZSA-N 1 3 357.325 3.759 20 0 FHADHO Cc1nc(C[NH3+])ccc1[C@@H](C)NCc1cccc(OCC(F)(F)F)c1 ZINC000422881050 943315518 /nfs/dbraw/zinc/31/55/18/943315518.db2.gz NERRRNUDTJIROA-GFCCVEGCSA-N 1 3 353.388 3.641 20 0 FHADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCc1nc2ccccc2n1C(F)F ZINC000422911199 943328297 /nfs/dbraw/zinc/32/82/97/943328297.db2.gz KHCBYRLWSMJXFO-HUUCEWRRSA-N 1 3 350.457 3.874 20 0 FHADHO CO[C@H](CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1cccc(Cl)c1 ZINC000422922755 943332937 /nfs/dbraw/zinc/33/29/37/943332937.db2.gz UGUOLKZMIRAIDE-HMXCVIKNSA-N 1 3 372.896 3.873 20 0 FHADHO COc1cc(CN2CCC(C[NH3+])CC2)ccc1OCc1ccc(F)cc1 ZINC000435375171 943357132 /nfs/dbraw/zinc/35/71/32/943357132.db2.gz SSFUDQNHTXENQP-UHFFFAOYSA-N 1 3 358.457 3.584 20 0 FHADHO c1ccc([C@H](N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)[C@H]2CCOC2)cc1 ZINC000422986185 943359186 /nfs/dbraw/zinc/35/91/86/943359186.db2.gz GQCPXOAYNXIRKU-VOFXCDAESA-N 1 3 364.489 3.610 20 0 FHADHO Clc1ccc(COCCN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422996892 943359591 /nfs/dbraw/zinc/35/95/91/943359591.db2.gz AEGOXOPZPMSMRR-TZIWHRDSSA-N 1 3 372.896 3.702 20 0 FHADHO NC[C@@H]1CCC[C@H]1[NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000423036309 943373465 /nfs/dbraw/zinc/37/34/65/943373465.db2.gz TWDIMPGRMSCUJO-KBXCAEBGSA-N 1 3 356.341 3.675 20 0 FHADHO Cc1cc(CN2CCC[C@H]([C@@H](C)[NH3+])C2)cc(C)c1OCc1ccccn1 ZINC000435387360 943374529 /nfs/dbraw/zinc/37/45/29/943374529.db2.gz ZWIVIXUBVPNAKJ-QUCCMNQESA-N 1 3 353.510 3.837 20 0 FHADHO CSCc1cccc(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000423060647 943378231 /nfs/dbraw/zinc/37/82/31/943378231.db2.gz OUUDENHBUPMXFG-CTNGQTDRSA-N 1 3 354.519 3.895 20 0 FHADHO Fc1ccc(C2(CN[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)CCCC2)c(F)c1 ZINC000423062579 943378969 /nfs/dbraw/zinc/37/89/69/943378969.db2.gz NFGYHJVFLSMUAJ-LSTHTHJFSA-N 1 3 364.480 3.523 20 0 FHADHO CCN(Cc1ccc(OCc2csc(C)n2)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435392717 943379024 /nfs/dbraw/zinc/37/90/24/943379024.db2.gz HPCKOMUTBMAHSF-IBGZPJMESA-N 1 3 359.539 3.995 20 0 FHADHO Fc1cccc(C2(CN[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)CCCC2)c1F ZINC000423077874 943385939 /nfs/dbraw/zinc/38/59/39/943385939.db2.gz NCSVPWSLOCLITE-ATZDWAIDSA-N 1 3 364.480 3.523 20 0 FHADHO c1ccc(CN2CCSC[C@@H]2CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000423080675 943386791 /nfs/dbraw/zinc/38/67/91/943386791.db2.gz ZUWCCMOQZDDYQK-FNAHDJPLSA-N 1 3 373.610 3.504 20 0 FHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000423092408 943391277 /nfs/dbraw/zinc/39/12/77/943391277.db2.gz BUEVGPCZMNQKFI-ZDUSSCGKSA-N 1 3 367.415 3.683 20 0 FHADHO FC(F)(F)c1ccc([C@H]2C[C@H](N[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000423094557 943391810 /nfs/dbraw/zinc/39/18/10/943391810.db2.gz KJXQOSBQHYJSGL-WSIUPNEHSA-N 1 3 368.443 3.698 20 0 FHADHO FC(F)(F)c1ccc([C@H]2C[C@H](N[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000423094558 943391946 /nfs/dbraw/zinc/39/19/46/943391946.db2.gz KJXQOSBQHYJSGL-XFUTXVRSSA-N 1 3 368.443 3.698 20 0 FHADHO Clc1ccc([C@H]2C[C@H](N[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1Cl ZINC000423100958 943394755 /nfs/dbraw/zinc/39/47/55/943394755.db2.gz NDDPLCFLDLSDGQ-UNTXSKPGSA-N 1 3 369.336 3.986 20 0 FHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCOc1ccc(Cl)c(Cl)c1 ZINC000423156290 943412384 /nfs/dbraw/zinc/41/23/84/943412384.db2.gz KZBTZWAMYWPWSE-NSHDSACASA-N 1 3 354.281 3.885 20 0 FHADHO c1nc(SC2CCCC2)ncc1CCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423138507 943415690 /nfs/dbraw/zinc/41/56/90/943415690.db2.gz TUDJUQNWSRQAIO-OTWHNJEPSA-N 1 3 360.571 3.564 20 0 FHADHO Cc1cc(CN(C)[C@@H]2CCC[NH2+]CC2)cc(C)c1OCc1ccccn1 ZINC000435437407 943415807 /nfs/dbraw/zinc/41/58/07/943415807.db2.gz KKVSYZLDTQSMBY-OAQYLSRUSA-N 1 3 353.510 3.851 20 0 FHADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000423139869 943417079 /nfs/dbraw/zinc/41/70/79/943417079.db2.gz WSPRPUNDGJIXMD-KGLIPLIRSA-N 1 3 353.445 3.585 20 0 FHADHO Cc1ccc(Oc2ccccc2CCN[C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])cc1 ZINC000423173425 943425833 /nfs/dbraw/zinc/42/58/33/943425833.db2.gz YNYVIKXFPDIMHA-IOMROCGXSA-N 1 3 354.494 3.672 20 0 FHADHO CCc1ccc(C[C@@H](Cc2ccc(Cl)cc2)[NH2+]C2CCNCC2)nc1 ZINC000423177947 943428405 /nfs/dbraw/zinc/42/84/05/943428405.db2.gz FGKMUYLHGSRSCP-OAQYLSRUSA-N 1 3 357.929 3.793 20 0 FHADHO CCc1ccc(C[C@@H](Cc2ccc(Cl)cc2)NC2CC[NH2+]CC2)nc1 ZINC000423177947 943428409 /nfs/dbraw/zinc/42/84/09/943428409.db2.gz FGKMUYLHGSRSCP-OAQYLSRUSA-N 1 3 357.929 3.793 20 0 FHADHO Brc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC[C@@H]1CCC[NH2+]C1 ZINC000423220052 943448242 /nfs/dbraw/zinc/44/82/42/943448242.db2.gz XVEHUGCOCDDUDY-PXAZEXFGSA-N 1 3 362.315 3.897 20 0 FHADHO Cc1c([C@@H](C)[NH2+][C@H](CN)C2CC2)cnn1-c1ccc(Cl)cc1Cl ZINC000423284857 943464199 /nfs/dbraw/zinc/46/41/99/943464199.db2.gz XGYYYAYXNWIIDT-QLJPJBMISA-N 1 3 353.297 3.875 20 0 FHADHO C[C@@H]([NH3+])c1ccc(CN[C@@H](C)c2ccc(OCc3nccn3C)cc2)cc1 ZINC000423291905 943466125 /nfs/dbraw/zinc/46/61/25/943466125.db2.gz KLQXFOQFYKAIBX-SJORKVTESA-N 1 3 364.493 3.870 20 0 FHADHO C[C@@H]1C[C@H](N[C@@H](c2cccc(Br)c2)C2CCOCC2)CC[NH2+]1 ZINC000423384080 943497851 /nfs/dbraw/zinc/49/78/51/943497851.db2.gz PWJPSNJNORVFJL-FSPWUOQZSA-N 1 3 367.331 3.647 20 0 FHADHO C[C@@H]1C[NH2+]CC[C@@H]1N[C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000423394959 943500672 /nfs/dbraw/zinc/50/06/72/943500672.db2.gz NASGKMPQCBLTOX-BVGQSLNGSA-N 1 3 367.331 3.504 20 0 FHADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000423394959 943500677 /nfs/dbraw/zinc/50/06/77/943500677.db2.gz NASGKMPQCBLTOX-BVGQSLNGSA-N 1 3 367.331 3.504 20 0 FHADHO COCC[C@@H](Cc1cccc(F)c1)[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000423528090 943538591 /nfs/dbraw/zinc/53/85/91/943538591.db2.gz NTIGJSKKULCUGS-QKFMXRBCSA-N 1 3 360.517 3.517 20 0 FHADHO COCC[C@@H](Cc1cccc(F)c1)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423528090 943538592 /nfs/dbraw/zinc/53/85/92/943538592.db2.gz NTIGJSKKULCUGS-QKFMXRBCSA-N 1 3 360.517 3.517 20 0 FHADHO C[C@@H](NCC1([NH3+])CCN(Cc2ccccc2)CC1)c1cc(F)ccc1F ZINC000423575129 943561346 /nfs/dbraw/zinc/56/13/46/943561346.db2.gz PWNYFYGKJMEVJF-MRXNPFEDSA-N 1 3 359.464 3.609 20 0 FHADHO C[C@H](NCC1([NH3+])CCN(Cc2ccccc2)CC1)c1ccc(F)cc1F ZINC000423580690 943563723 /nfs/dbraw/zinc/56/37/23/943563723.db2.gz YDCDANJNUITVJX-INIZCTEOSA-N 1 3 359.464 3.609 20 0 FHADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NCC(C)(C)C2(O)CCOCC2)CC1 ZINC000417390663 943566744 /nfs/dbraw/zinc/56/67/44/943566744.db2.gz ZBJDVIZPHSOEQE-UHFFFAOYSA-N 1 3 368.606 3.823 20 0 FHADHO CN(C)Cc1cccc(NC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)c1 ZINC000435730452 943573515 /nfs/dbraw/zinc/57/35/15/943573515.db2.gz HBLIFUBBHFJRHT-FQEVSTJZSA-N 1 3 358.530 3.667 20 0 FHADHO CN(C)Cc1cccc(NC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)c1 ZINC000435730452 943573516 /nfs/dbraw/zinc/57/35/16/943573516.db2.gz HBLIFUBBHFJRHT-FQEVSTJZSA-N 1 3 358.530 3.667 20 0 FHADHO CCCN1CCN(c2ccccc2CNc2cccc(C[NH2+]C)c2)CC1 ZINC000414873081 943580384 /nfs/dbraw/zinc/58/03/84/943580384.db2.gz WXLVBVPCVDHEJX-UHFFFAOYSA-N 1 3 352.526 3.550 20 0 FHADHO CCCN(CC(=O)NC1CC[NH+](C(C)C)CC1)[C@@H](CC)c1ccccc1 ZINC000511636503 943706138 /nfs/dbraw/zinc/70/61/38/943706138.db2.gz WVAHXPFFHJQQSX-NRFANRHFSA-N 1 3 359.558 3.839 20 0 FHADHO CCN1CC[C@H]([NH2+]CC[C@H]2CCCCN2C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000549475061 943741676 /nfs/dbraw/zinc/74/16/76/943741676.db2.gz CEINWNYWAPYGCX-MOXGXCLJSA-N 1 3 369.475 3.703 20 0 FHADHO C[C@H]([NH2+]CC[C@H]1Sc2ccccc2NC1=O)[C@H]1CCCN(C2CCC2)C1 ZINC000660257428 943796067 /nfs/dbraw/zinc/79/60/67/943796067.db2.gz SUAIWSNOQDUFOW-TWOQFEAHSA-N 1 3 373.566 3.732 20 0 FHADHO C[C@H]([NH2+]C[C@H]1CCCN(C(=O)C(C)(C)C)C1)[C@H]1CCCN(C2CCC2)C1 ZINC000660256703 943804770 /nfs/dbraw/zinc/80/47/70/943804770.db2.gz NRSYLGNXAWIHGL-OTWHNJEPSA-N 1 3 363.590 3.514 20 0 FHADHO CCOc1cccc(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1OC(F)F ZINC000414782767 943847202 /nfs/dbraw/zinc/84/72/02/943847202.db2.gz OUHOEWRCMUYSOU-LSDHHAIUSA-N 1 3 354.441 3.508 20 0 FHADHO CC(C)N1CC[C@H]([NH2+]CC[C@@H]2CCCCN2C)[C@H]1c1ccc(F)c(F)c1 ZINC000549477916 943850397 /nfs/dbraw/zinc/85/03/97/943850397.db2.gz OUKXTYJRDRTHPS-DZFGPLHGSA-N 1 3 365.512 3.953 20 0 FHADHO CCOc1cccc(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1OC(F)F ZINC000414782761 943851143 /nfs/dbraw/zinc/85/11/43/943851143.db2.gz OUHOEWRCMUYSOU-CABCVRRESA-N 1 3 354.441 3.508 20 0 FHADHO C[C@@H]1CN(CCCC[NH2+][C@H](Cc2ccncc2)c2cccs2)C[C@@H](C)O1 ZINC000424306232 943852778 /nfs/dbraw/zinc/85/27/78/943852778.db2.gz USOSHOLRBXGFFT-QWFCFKBJSA-N 1 3 373.566 3.906 20 0 FHADHO Cc1cc(C[NH3+])cc(NC(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)c1 ZINC000424429920 943925584 /nfs/dbraw/zinc/92/55/84/943925584.db2.gz YNMWRTLOZWYGHB-SFHVURJKSA-N 1 3 360.889 3.532 20 0 FHADHO Cc1cc(C[NH3+])cc(NC(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)c1 ZINC000424435087 943927917 /nfs/dbraw/zinc/92/79/17/943927917.db2.gz KRAKJWANALLKRV-GOSISDBHSA-N 1 3 366.509 3.582 20 0 FHADHO c1cn(-c2cc(C[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)ccn2)cn1 ZINC000364185896 944007619 /nfs/dbraw/zinc/00/76/19/944007619.db2.gz WCCTVNMAMDSLGP-DKUWSORSSA-N 1 3 373.504 3.553 20 0 FHADHO CC[C@H]1CN(CCC(=O)Nc2ccc(Oc3ccccc3)cc2)CC[C@@H]1[NH3+] ZINC000647937266 944030411 /nfs/dbraw/zinc/03/04/11/944030411.db2.gz URCUEGNCGSKJDQ-UWJYYQICSA-N 1 3 367.493 3.867 20 0 FHADHO CN(Cc1cccc2ccccc21)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000711770988 944097709 /nfs/dbraw/zinc/09/77/09/944097709.db2.gz GZDUILCIXLHRQK-XMMPIXPASA-N 1 3 360.501 3.909 20 0 FHADHO CN(Cc1cccc2ccccc21)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000711770988 944097716 /nfs/dbraw/zinc/09/77/16/944097716.db2.gz GZDUILCIXLHRQK-XMMPIXPASA-N 1 3 360.501 3.909 20 0 FHADHO CCCC[C@@H](C[NH3+])NC1CCN(Cc2ccccc2Br)CC1 ZINC000414812737 944108478 /nfs/dbraw/zinc/10/84/78/944108478.db2.gz LKPFBUSOMAGASV-KRWDZBQOSA-N 1 3 368.363 3.521 20 0 FHADHO CCC[C@H](C)[C@@H]1CCCN1C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000517245537 944138877 /nfs/dbraw/zinc/13/88/77/944138877.db2.gz UHMWNSQAPVONJP-RXVVDRJESA-N 1 3 363.590 3.610 20 0 FHADHO c1c(CNCCCOC2CC[NH+](Cc3ccccc3)CC2)onc1C1CC1 ZINC000638733886 944333181 /nfs/dbraw/zinc/33/31/81/944333181.db2.gz FBKAJHOTOXHRRA-UHFFFAOYSA-N 1 3 369.509 3.713 20 0 FHADHO CC1(C)CN(Cc2ccnc(N)c2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664837162 944393449 /nfs/dbraw/zinc/39/34/49/944393449.db2.gz NBVOHLWGNMYIDG-JOCHJYFZSA-N 1 3 364.537 3.786 20 0 FHADHO CC(C)c1nnc(CCN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC000426300205 944397324 /nfs/dbraw/zinc/39/73/24/944397324.db2.gz CULWSTPKWYPPLS-GBESFXJTSA-N 1 3 370.566 3.704 20 0 FHADHO CC(C)c1nnc(CCN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC000426300205 944397331 /nfs/dbraw/zinc/39/73/31/944397331.db2.gz CULWSTPKWYPPLS-GBESFXJTSA-N 1 3 370.566 3.704 20 0 FHADHO CC(C)c1nnc(CC[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)s1 ZINC000426300205 944397340 /nfs/dbraw/zinc/39/73/40/944397340.db2.gz CULWSTPKWYPPLS-GBESFXJTSA-N 1 3 370.566 3.704 20 0 FHADHO COc1ccc(Br)c(CNCCCCC[NH+]2CCCC2)c1 ZINC000550265850 944624056 /nfs/dbraw/zinc/62/40/56/944624056.db2.gz ICCGRDCDQNGPEN-UHFFFAOYSA-N 1 3 355.320 3.813 20 0 FHADHO Cc1nc2ccc(CN3CCC(C[NH+]4C[C@H](C)O[C@@H](C)C4)CC3)cc2s1 ZINC000426412532 944726624 /nfs/dbraw/zinc/72/66/24/944726624.db2.gz PPXOJNKGQZQQNP-HOTGVXAUSA-N 1 3 373.566 3.926 20 0 FHADHO Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CCC(C[NH+]2CCCC2)CC1 ZINC000506892895 944733442 /nfs/dbraw/zinc/73/34/42/944733442.db2.gz GFKPFZBRNIEDAO-UHFFFAOYSA-N 1 3 370.516 3.936 20 0 FHADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc(CN2CCCC2)c1 ZINC000439678571 944862126 /nfs/dbraw/zinc/86/21/26/944862126.db2.gz CYLZZBBCNGZRNM-NRFANRHFSA-N 1 3 357.542 3.523 20 0 FHADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1cccc(CN2CCCC2)c1 ZINC000439678571 944862136 /nfs/dbraw/zinc/86/21/36/944862136.db2.gz CYLZZBBCNGZRNM-NRFANRHFSA-N 1 3 357.542 3.523 20 0 FHADHO C[C@H](N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1cccc(-n2cccn2)c1 ZINC000516450344 944875009 /nfs/dbraw/zinc/87/50/09/944875009.db2.gz DDHQTMFFAIBOKJ-HYVJGQCMSA-N 1 3 374.488 3.779 20 0 FHADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000518055834 944976229 /nfs/dbraw/zinc/97/62/29/944976229.db2.gz SBYWWGIPTYWYIR-BGYRXZFFSA-N 1 3 371.569 3.770 20 0 FHADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000518055834 944976233 /nfs/dbraw/zinc/97/62/33/944976233.db2.gz SBYWWGIPTYWYIR-BGYRXZFFSA-N 1 3 371.569 3.770 20 0 FHADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NC[C@@H]2Cc3ccccc3N(C)C2)CC1 ZINC000437084530 945001308 /nfs/dbraw/zinc/00/13/08/945001308.db2.gz BJOSOXYOPHMUGI-XQBPLPMBSA-N 1 3 355.570 3.928 20 0 FHADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccccc2N(C)C(C)C)[C@H](C)C1 ZINC000437089039 945008169 /nfs/dbraw/zinc/00/81/69/945008169.db2.gz ABJAAKYNYWBMKT-CTNGQTDRSA-N 1 3 361.574 3.758 20 0 FHADHO CCSc1cc(CN[C@H](C)c2cccc(OCC[NH+](C)C)c2)ccn1 ZINC000187796942 945598188 /nfs/dbraw/zinc/59/81/88/945598188.db2.gz MVWIIGWNSBWZSR-MRXNPFEDSA-N 1 3 359.539 3.985 20 0 FHADHO CC(C)N1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3C)[C@H]1c1ccc(F)c(F)c1 ZINC000893416429 945684484 /nfs/dbraw/zinc/68/44/84/945684484.db2.gz IZHMLZBZKOACCQ-KSGXDFPGSA-N 1 3 363.496 3.703 20 0 FHADHO C[C@@H]1C[C@@H](CCNCc2cc(C(F)(F)F)n[nH]2)C[N@@H+]1Cc1ccccc1 ZINC000440612724 945707804 /nfs/dbraw/zinc/70/78/04/945707804.db2.gz NSSRFXWKGADHDC-GDBMZVCRSA-N 1 3 366.431 3.819 20 0 FHADHO C[C@@H]1C[C@@H](CCNCc2cc(C(F)(F)F)n[nH]2)C[N@H+]1Cc1ccccc1 ZINC000440612724 945707809 /nfs/dbraw/zinc/70/78/09/945707809.db2.gz NSSRFXWKGADHDC-GDBMZVCRSA-N 1 3 366.431 3.819 20 0 FHADHO CCN1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ccc(-c3ccccc3)cn2)CC1 ZINC000651705292 945727768 /nfs/dbraw/zinc/72/77/68/945727768.db2.gz NZLXYJQEOFUAAL-UXHICEINSA-N 1 3 366.553 3.673 20 0 FHADHO C[C@H](c1ccccc1)N1CCC([NH2+]Cc2cnnn2-c2ccccc2)CC1 ZINC000651713488 945743584 /nfs/dbraw/zinc/74/35/84/945743584.db2.gz RVTSZTPJZHFTAN-GOSISDBHSA-N 1 3 361.493 3.583 20 0 FHADHO C[C@H](NCCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(-c2ccccc2)cn1 ZINC000651714142 945746619 /nfs/dbraw/zinc/74/66/19/945746619.db2.gz RGXOZWLEGJYABA-GHTZIAJQSA-N 1 3 353.510 3.636 20 0 FHADHO C[C@H](NCCCC[N@H+]1CCC[C@@H]1CO)c1ccc(-c2ccccc2)cn1 ZINC000651714142 945746623 /nfs/dbraw/zinc/74/66/23/945746623.db2.gz RGXOZWLEGJYABA-GHTZIAJQSA-N 1 3 353.510 3.636 20 0 FHADHO C[C@H](NCCCC[N@@H+]1CCC[C@H]1CO)c1ccc(-c2ccccc2)cn1 ZINC000651714144 945746821 /nfs/dbraw/zinc/74/68/21/945746821.db2.gz RGXOZWLEGJYABA-RXVVDRJESA-N 1 3 353.510 3.636 20 0 FHADHO C[C@H](NCCCC[N@H+]1CCC[C@H]1CO)c1ccc(-c2ccccc2)cn1 ZINC000651714144 945746823 /nfs/dbraw/zinc/74/68/23/945746823.db2.gz RGXOZWLEGJYABA-RXVVDRJESA-N 1 3 353.510 3.636 20 0 FHADHO CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc(OC(C)C)c(Cl)c2)CC1 ZINC000519836150 945798594 /nfs/dbraw/zinc/79/85/94/945798594.db2.gz BYBXPMCYHCWSEH-IRXDYDNUSA-N 1 3 367.965 3.804 20 0 FHADHO CCCN1CCC[C@H]1C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000522893917 946074915 /nfs/dbraw/zinc/07/49/15/946074915.db2.gz ICTYQVALXZJIPS-RXVVDRJESA-N 1 3 357.542 3.552 20 0 FHADHO CCCN1CCC[C@H]1C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000522893917 946074926 /nfs/dbraw/zinc/07/49/26/946074926.db2.gz ICTYQVALXZJIPS-RXVVDRJESA-N 1 3 357.542 3.552 20 0 FHADHO C[C@H](CC[NH+]1CCN(C)CC1)Nc1ccnc2cc(C(F)(F)F)ccc21 ZINC000302238102 946191517 /nfs/dbraw/zinc/19/15/17/946191517.db2.gz GWFXRHOMNUAXJL-CQSZACIVSA-N 1 3 366.431 3.692 20 0 FHADHO CCOC(=O)[C@H]1C[N@@H+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)C[C@H]2CCCC[C@@H]12 ZINC001167989291 946299988 /nfs/dbraw/zinc/29/99/88/946299988.db2.gz ZIZJKENNADHWSS-FTXAJZQOSA-N 1 3 374.569 3.693 20 0 FHADHO CCOC(=O)[C@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)C[C@H]2CCCC[C@@H]12 ZINC001167989291 946299995 /nfs/dbraw/zinc/29/99/95/946299995.db2.gz ZIZJKENNADHWSS-FTXAJZQOSA-N 1 3 374.569 3.693 20 0 FHADHO O[C@@H]1CC[N@H+](Cc2ccccc2CN[C@H]2CCSc3c(F)cccc32)C1 ZINC000248441136 946342872 /nfs/dbraw/zinc/34/28/72/946342872.db2.gz JZLGIRZKEOAMLU-XLIONFOSSA-N 1 3 372.509 3.719 20 0 FHADHO O[C@@H]1CC[N@@H+](Cc2ccccc2CN[C@H]2CCSc3c(F)cccc32)C1 ZINC000248441136 946342884 /nfs/dbraw/zinc/34/28/84/946342884.db2.gz JZLGIRZKEOAMLU-XLIONFOSSA-N 1 3 372.509 3.719 20 0 FHADHO C[C@H]1CC(N2CC[C@@H](Oc3cccnc3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168068489 946492938 /nfs/dbraw/zinc/49/29/38/946492938.db2.gz ZWTQOSCBSVSWOA-SFYKDHMMSA-N 1 3 365.521 3.976 20 0 FHADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000520365032 946501878 /nfs/dbraw/zinc/50/18/78/946501878.db2.gz HCWSVQPXZXNGRY-GOSISDBHSA-N 1 3 357.542 3.523 20 0 FHADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000520365032 946501884 /nfs/dbraw/zinc/50/18/84/946501884.db2.gz HCWSVQPXZXNGRY-GOSISDBHSA-N 1 3 357.542 3.523 20 0 FHADHO Fc1ccc(-c2cc(C[N@@H+]3CC[C@H]4[C@@H](CCCN4C4CC4)C3)on2)cc1 ZINC000441394365 946548989 /nfs/dbraw/zinc/54/89/89/946548989.db2.gz OPCCBLMJGDHMQE-KKSFZXQISA-N 1 3 355.457 3.929 20 0 FHADHO Fc1ccc(-c2cc(C[N@H+]3CC[C@H]4[C@@H](CCCN4C4CC4)C3)on2)cc1 ZINC000441394365 946548990 /nfs/dbraw/zinc/54/89/90/946548990.db2.gz OPCCBLMJGDHMQE-KKSFZXQISA-N 1 3 355.457 3.929 20 0 FHADHO Cc1cc(C[NH+](C)C)ccc1NC(=O)C(C[C@@H]1CCCO1)C(F)(F)F ZINC000909598655 946740715 /nfs/dbraw/zinc/74/07/15/946740715.db2.gz CPTGSSRXMDIGDE-GJZGRUSLSA-N 1 3 358.404 3.743 20 0 FHADHO CC1CCN(C(=[NH2+])NCC2CCN(Cc3ccccc3Cl)CC2)CC1 ZINC000303976168 946750806 /nfs/dbraw/zinc/75/08/06/946750806.db2.gz CBKOPJSUJWFELY-UHFFFAOYSA-N 1 3 362.949 3.808 20 0 FHADHO CC1CC[NH+](Cc2ccccc2CNC(=O)C[C@H](N)c2ccccc2)CC1 ZINC000119452263 946783948 /nfs/dbraw/zinc/78/39/48/946783948.db2.gz VKGNVOPPYJPKJJ-QFIPXVFZSA-N 1 3 365.521 3.625 20 0 FHADHO C[C@@H]1[C@@H](C(F)(F)F)CCN1Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000475270481 946802890 /nfs/dbraw/zinc/80/28/90/946802890.db2.gz RDHHZQQCEYMNKG-QAPCUYQASA-N 1 3 369.475 3.990 20 0 FHADHO CCC[NH+]1CCN(c2ccccc2CN2CC[C@H](C(F)(F)F)[C@@H]2C)CC1 ZINC000475281250 946816082 /nfs/dbraw/zinc/81/60/82/946816082.db2.gz CMMZPCZWJJAEFD-WMZOPIPTSA-N 1 3 369.475 3.991 20 0 FHADHO CCCN1CCN(c2ccccc2C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)CC1 ZINC000475281250 946816092 /nfs/dbraw/zinc/81/60/92/946816092.db2.gz CMMZPCZWJJAEFD-WMZOPIPTSA-N 1 3 369.475 3.991 20 0 FHADHO CCCN1CCN(c2ccccc2C[N@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)CC1 ZINC000475281250 946816108 /nfs/dbraw/zinc/81/61/08/946816108.db2.gz CMMZPCZWJJAEFD-WMZOPIPTSA-N 1 3 369.475 3.991 20 0 FHADHO CCN1CCN(c2ccccc2C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)CC1 ZINC000475284916 946824019 /nfs/dbraw/zinc/82/40/19/946824019.db2.gz KTMSXHYHCJRXAK-DOTOQJQBSA-N 1 3 355.448 3.601 20 0 FHADHO CCN1CCN(c2ccccc2C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)CC1 ZINC000475284916 946824023 /nfs/dbraw/zinc/82/40/23/946824023.db2.gz KTMSXHYHCJRXAK-DOTOQJQBSA-N 1 3 355.448 3.601 20 0 FHADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000475288368 946826587 /nfs/dbraw/zinc/82/65/87/946826587.db2.gz SKTHXLPDFIGIPW-AGILITTLSA-N 1 3 363.549 3.619 20 0 FHADHO C[C@H](c1ccccc1Br)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652347796 946878371 /nfs/dbraw/zinc/87/83/71/946878371.db2.gz MHPXRUOJRNZUJW-BASYENTBSA-N 1 3 367.331 3.728 20 0 FHADHO C[C@H](c1ccc(Br)cc1)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348390 946893122 /nfs/dbraw/zinc/89/31/22/946893122.db2.gz BVINLWAXGZSNSM-AETAKHFUSA-N 1 3 367.331 3.728 20 0 FHADHO C[C@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824956569 947003437 /nfs/dbraw/zinc/00/34/37/947003437.db2.gz STCLOAVQXVGJFV-DZIBYMRMSA-N 1 3 368.529 3.560 20 0 FHADHO C[C@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824956569 947003449 /nfs/dbraw/zinc/00/34/49/947003449.db2.gz STCLOAVQXVGJFV-DZIBYMRMSA-N 1 3 368.529 3.560 20 0 FHADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@H](C)c2ncc(C)s2)CC1 ZINC000544617567 947265285 /nfs/dbraw/zinc/26/52/85/947265285.db2.gz SMANJINXZRJXEM-KRWDZBQOSA-N 1 3 372.582 3.877 20 0 FHADHO CCOCCC[N@@H+]1CC[C@H](N[C@H]2CCCc3c(OC)cccc32)[C@H](C)C1 ZINC000249612819 947330719 /nfs/dbraw/zinc/33/07/19/947330719.db2.gz SIRVJQSGVHFBRS-QMMLZNLJSA-N 1 3 360.542 3.799 20 0 FHADHO CCOCCC[N@H+]1CC[C@H](N[C@H]2CCCc3c(OC)cccc32)[C@H](C)C1 ZINC000249612819 947330733 /nfs/dbraw/zinc/33/07/33/947330733.db2.gz SIRVJQSGVHFBRS-QMMLZNLJSA-N 1 3 360.542 3.799 20 0 FHADHO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)N(C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662265079 947683736 /nfs/dbraw/zinc/68/37/36/947683736.db2.gz WATJTVDBSVTNQF-FUHWJXTLSA-N 1 3 371.550 3.941 20 0 FHADHO Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662264582 947683988 /nfs/dbraw/zinc/68/39/88/947683988.db2.gz RIJUZZLELLXYAY-DOTOQJQBSA-N 1 3 357.523 3.632 20 0 FHADHO Cc1nc2c(s1)[C@@H](NCc1ccc(OCCC[NH+](C)C)cc1)CCC2 ZINC000165193274 947707729 /nfs/dbraw/zinc/70/77/29/947707729.db2.gz GVCUELKJHUKCAZ-SFHVURJKSA-N 1 3 359.539 3.949 20 0 FHADHO Cc1ccc(-c2noc([C@@H](C)N3CCC[C@@H](C4CC[NH2+]CC4)C3)n2)cc1F ZINC000662296794 947722371 /nfs/dbraw/zinc/72/23/71/947722371.db2.gz NMCNJHLWMFVXSI-CRAIPNDOSA-N 1 3 372.488 3.957 20 0 FHADHO CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)c1 ZINC000165288081 947875129 /nfs/dbraw/zinc/87/51/29/947875129.db2.gz CNIGUUSBWVFFAW-NQIIRXRSSA-N 1 3 365.521 3.860 20 0 FHADHO O=C(C[C@@H]1NCc2ccccc21)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000662525961 947888384 /nfs/dbraw/zinc/88/83/84/947888384.db2.gz NEQOCAYSSIFHFC-FCHUYYIVSA-N 1 3 363.505 3.564 20 0 FHADHO CCn1c2ccccc2nc1N1CCN([C@@H](C)CCC[NH+](CC)CC)CC1 ZINC001167835282 948288127 /nfs/dbraw/zinc/28/81/27/948288127.db2.gz QUBXLMHOTQFZNG-IBGZPJMESA-N 1 3 371.573 3.689 20 0 FHADHO C[C@@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1cccc(Br)c1 ZINC000432411313 948362276 /nfs/dbraw/zinc/36/22/76/948362276.db2.gz XFLNFQMIXARMRH-HUUCEWRRSA-N 1 3 355.320 3.601 20 0 FHADHO C[C@@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1cccc(Br)c1 ZINC000432411313 948362283 /nfs/dbraw/zinc/36/22/83/948362283.db2.gz XFLNFQMIXARMRH-HUUCEWRRSA-N 1 3 355.320 3.601 20 0 FHADHO Cc1ccc([C@H](CNC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)N2CCCC2)cc1 ZINC000512094200 948405386 /nfs/dbraw/zinc/40/53/86/948405386.db2.gz HOWBLWNHABKCNM-BNDYYXHWSA-N 1 3 357.542 3.509 20 0 FHADHO Cc1c([C@H](C)[NH2+]C[C@H]2CCN(C3CC3)C2)cnn1-c1cccc(Cl)c1 ZINC000152372608 948425100 /nfs/dbraw/zinc/42/51/00/948425100.db2.gz MTSXIWLSHLGSGN-GOEBONIOSA-N 1 3 358.917 3.969 20 0 FHADHO Brc1cccc2c1OCCC[C@@H]2[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000152415798 948566728 /nfs/dbraw/zinc/56/67/28/948566728.db2.gz UOEGFPDYAOISAI-GUYCJALGSA-N 1 3 365.315 3.737 20 0 FHADHO C[C@@H]1C[NH+](CC2CCN(Cc3ccc4ccccc4n3)CC2)C[C@@H](C)O1 ZINC000512187360 948737069 /nfs/dbraw/zinc/73/70/69/948737069.db2.gz QAMYUMJAUGAYFN-QZTJIDSGSA-N 1 3 353.510 3.556 20 0 FHADHO C[C@@H]1C[NH+](CC2CCN(Cc3ccccc3OCC3CC3)CC2)C[C@@H](C)O1 ZINC000512188283 948741630 /nfs/dbraw/zinc/74/16/30/948741630.db2.gz XUMMJPJCNIOCLB-RTBURBONSA-N 1 3 372.553 3.797 20 0 FHADHO C[C@H]1C[NH+](CC2CCN(CCc3ccccc3Cl)CC2)C[C@H](C)O1 ZINC000110737298 209327196 /nfs/dbraw/zinc/32/71/96/209327196.db2.gz MDEVRUROSFKKKZ-IRXDYDNUSA-N 1 3 350.934 3.704 20 0 FHADHO CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825435383 608550526 /nfs/dbraw/zinc/55/05/26/608550526.db2.gz WNZHKMUXGUTXSM-INIZCTEOSA-N 1 3 364.497 3.511 20 0 FHADHO CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825435383 608550528 /nfs/dbraw/zinc/55/05/28/608550528.db2.gz WNZHKMUXGUTXSM-INIZCTEOSA-N 1 3 364.497 3.511 20 0 FHADHO Fc1cccc(CN2CC[C@]23CCCN(c2cc4[nH]ccc4c[nH+]2)C3)c1 ZINC001164992875 722193820 /nfs/dbraw/zinc/19/38/20/722193820.db2.gz BRCXUGYLDPFGSV-NRFANRHFSA-N 1 3 350.441 3.947 20 0 FHADHO CCCCCN(C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)C(C)C ZINC000583094592 937114601 /nfs/dbraw/zinc/11/46/01/937114601.db2.gz VLWUEUOOIXYKPE-UHFFFAOYSA-N 1 3 351.579 3.610 20 0 FHADHO CC[NH+]1CCN(Cc2ccccc2CN[C@H](C)c2cccnc2Cl)CC1 ZINC000160345433 930031894 /nfs/dbraw/zinc/03/18/94/930031894.db2.gz NTBVYFLJNMGTCA-QGZVFWFLSA-N 1 3 372.944 3.723 20 0 FHADHO CCOc1ccc(CN(C)CCC2CCN(c3cc[nH+]cc3)CC2)nc1 ZINC000092821597 937391769 /nfs/dbraw/zinc/39/17/69/937391769.db2.gz VDKUYNPCOXXVEQ-UHFFFAOYSA-N 1 3 354.498 3.614 20 0 FHADHO C[C@@H]([NH3+])c1ccc(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)cc1 ZINC000580067796 930208868 /nfs/dbraw/zinc/20/88/68/930208868.db2.gz JSDUGHRBYKQORC-APWZRJJASA-N 1 3 371.550 3.971 20 0 FHADHO COc1ccc(C[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)c(C)c1OC ZINC000580297646 930449457 /nfs/dbraw/zinc/44/94/57/930449457.db2.gz SMYPGAFUMIAIJT-FQEVSTJZSA-N 1 3 368.521 3.666 20 0 FHADHO C[C@H](NC1CCN(CC[NH+](C)C)CC1)c1cc(Cl)sc1Cl ZINC000150971272 937417162 /nfs/dbraw/zinc/41/71/62/937417162.db2.gz MQYFGMZCJNRHIY-NSHDSACASA-N 1 3 350.359 3.732 20 0 FHADHO Cc1ccc([C@@H](CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)N(C)C)cc1 ZINC000548086138 930582109 /nfs/dbraw/zinc/58/21/09/930582109.db2.gz SYKBTXFBISNSEV-JOCHJYFZSA-N 1 3 365.521 3.624 20 0 FHADHO CCN(C[C@H](C[N@H+](C)Cc1ccccc1)c1ccccc1)CC(C)(C)O ZINC001167425387 930946929 /nfs/dbraw/zinc/94/69/29/930946929.db2.gz QRBGZOROZXZDLG-QFIPXVFZSA-N 1 3 354.538 3.995 20 0 FHADHO CCN(C[C@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1)CC(C)(C)O ZINC001167425387 930946933 /nfs/dbraw/zinc/94/69/33/930946933.db2.gz QRBGZOROZXZDLG-QFIPXVFZSA-N 1 3 354.538 3.995 20 0 FHADHO CC[NH+](CC)CC1CCN(Cc2ccc(OC(F)F)c(OC)c2)CC1 ZINC000047978567 930967574 /nfs/dbraw/zinc/96/75/74/930967574.db2.gz VJVXTDCIXLQJIQ-UHFFFAOYSA-N 1 3 356.457 3.850 20 0 FHADHO CC(C)[N@@H+]1CC[C@H](CNCc2ccnc3c(Br)cccc23)C1 ZINC000580814347 931198264 /nfs/dbraw/zinc/19/82/64/931198264.db2.gz FKWLZFGZGSSCIE-CQSZACIVSA-N 1 3 362.315 3.817 20 0 FHADHO CC(C)[N@H+]1CC[C@H](CNCc2ccnc3c(Br)cccc23)C1 ZINC000580814347 931198270 /nfs/dbraw/zinc/19/82/70/931198270.db2.gz FKWLZFGZGSSCIE-CQSZACIVSA-N 1 3 362.315 3.817 20 0 FHADHO CC(C)[N@H+](C)Cc1cccc(CNCc2ccccc2N2CCOCC2)c1 ZINC000066990440 931740988 /nfs/dbraw/zinc/74/09/88/931740988.db2.gz KHCJKGTWQZXCQU-UHFFFAOYSA-N 1 3 367.537 3.653 20 0 FHADHO CC(C)[N@@H+](C)Cc1cccc(CNCc2ccccc2N2CCOCC2)c1 ZINC000066990440 931740992 /nfs/dbraw/zinc/74/09/92/931740992.db2.gz KHCJKGTWQZXCQU-UHFFFAOYSA-N 1 3 367.537 3.653 20 0 FHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCOc1cccc(Cl)c1Cl ZINC000581423594 932045874 /nfs/dbraw/zinc/04/58/74/932045874.db2.gz IBRKQPINFRITPC-NSHDSACASA-N 1 3 354.281 3.885 20 0 FHADHO Cn1cc2c(n1)CCC[C@@H]2[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000581458112 932091240 /nfs/dbraw/zinc/09/12/40/932091240.db2.gz BUFMTWWHFJHMHJ-CTNGQTDRSA-N 1 3 352.526 3.689 20 0 FHADHO C[N@H+](CCOc1cccc(CNCc2ccc(F)cc2)c1)C1CCOCC1 ZINC000076399922 932377216 /nfs/dbraw/zinc/37/72/16/932377216.db2.gz OQJJHLVWYUEIPS-UHFFFAOYSA-N 1 3 372.484 3.605 20 0 FHADHO C[N@@H+](CCOc1cccc(CNCc2ccc(F)cc2)c1)C1CCOCC1 ZINC000076399922 932377222 /nfs/dbraw/zinc/37/72/22/932377222.db2.gz OQJJHLVWYUEIPS-UHFFFAOYSA-N 1 3 372.484 3.605 20 0 FHADHO COc1ccc(CN2CCC[C@@H](C3CC[NH2+]CC3)C2)c(OC(F)F)c1 ZINC000656785521 932420663 /nfs/dbraw/zinc/42/06/63/932420663.db2.gz LJQMRJFSOIVXOY-OAHLLOKOSA-N 1 3 354.441 3.508 20 0 FHADHO C[C@H]1[C@@H](C(F)(F)F)CCN1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000684411343 932588410 /nfs/dbraw/zinc/58/84/10/932588410.db2.gz KECLYCQEFZIMSS-YJBOKZPZSA-N 1 3 356.432 3.934 20 0 FHADHO C[C@H](C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)N1CCCCCC1 ZINC000510500371 933091982 /nfs/dbraw/zinc/09/19/82/933091982.db2.gz JEZMEFACBHUJID-LJQANCHMSA-N 1 3 357.542 3.918 20 0 FHADHO COCc1ccc(C[NH+]2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000093844280 934180388 /nfs/dbraw/zinc/18/03/88/934180388.db2.gz YRKBKGIZRHAXIT-KDURUIRLSA-N 1 3 360.542 3.544 20 0 FHADHO CO[C@H](C[N@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(F)cc1 ZINC001167504415 934871570 /nfs/dbraw/zinc/87/15/70/934871570.db2.gz LFQCIZJMOAYQKE-SIKLNZKXSA-N 1 3 356.485 3.967 20 0 FHADHO CO[C@H](C[N@@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(F)cc1 ZINC001167504415 934871578 /nfs/dbraw/zinc/87/15/78/934871578.db2.gz LFQCIZJMOAYQKE-SIKLNZKXSA-N 1 3 356.485 3.967 20 0 FHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)c3cc(C)cc(C)c3)CC2)CC1 ZINC000582071602 935211728 /nfs/dbraw/zinc/21/17/28/935211728.db2.gz XGMNLKDIIRCLNM-LJQANCHMSA-N 1 3 371.569 3.677 20 0 FHADHO CSCc1ccc(C[NH+]2CCC(N3CCN(C(C)C)CC3)CC2)cc1 ZINC000892192089 935302613 /nfs/dbraw/zinc/30/26/13/935302613.db2.gz KOFJCUPUZZDOJJ-UHFFFAOYSA-N 1 3 361.599 3.540 20 0 FHADHO Cn1ncc(C2CC2)c1C[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000657354346 935330875 /nfs/dbraw/zinc/33/08/75/935330875.db2.gz ONJPUHIBGRVYRT-UHFFFAOYSA-N 1 3 372.944 3.953 20 0 FHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000582414396 935670731 /nfs/dbraw/zinc/67/07/31/935670731.db2.gz GQMIQXUEYMJIOS-VFNWGFHPSA-N 1 3 372.944 3.990 20 0 FHADHO Cc1ccc2c(c1)OCCC[C@H]2NC1CC[NH+](CCc2ccncc2)CC1 ZINC000152827037 935869304 /nfs/dbraw/zinc/86/93/04/935869304.db2.gz YOCQYNRJUOALNI-JOCHJYFZSA-N 1 3 365.521 3.900 20 0 FHADHO Cc1ccc2cc(C[NH2+]CC3(O)CCN(Cc4ccccc4)CC3)[nH]c2c1 ZINC000657497150 935874948 /nfs/dbraw/zinc/87/49/48/935874948.db2.gz UQNXYHUPBCNMOE-UHFFFAOYSA-N 1 3 363.505 3.593 20 0 FHADHO Fc1ccc([C@@H]2CCNC[C@@H]2C[NH2+]C2CCN(c3ccccc3)CC2)cc1 ZINC000415007276 945143196 /nfs/dbraw/zinc/14/31/96/945143196.db2.gz RCDYTKHNAFMWLX-XXBNENTESA-N 1 3 367.512 3.777 20 0 FHADHO FC(F)Oc1ccccc1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657613329 936093256 /nfs/dbraw/zinc/09/32/56/936093256.db2.gz YPBCBPLWDCHLRK-UHFFFAOYSA-N 1 3 361.436 3.685 20 0 FHADHO [NH3+]CC1(CCNCc2csc(-c3cccc(Br)c3)n2)CC1 ZINC000650712966 938298912 /nfs/dbraw/zinc/29/89/12/938298912.db2.gz AGDKYUNBEGKFDG-UHFFFAOYSA-N 1 3 366.328 3.791 20 0 FHADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2Cc2cnc(-c3ccccc3)s2)C1 ZINC000650723394 938310662 /nfs/dbraw/zinc/31/06/62/938310662.db2.gz NHVMIVMVIIALSK-BHIYHBOVSA-N 1 3 357.523 3.671 20 0 FHADHO COc1cccc(C2(NCc3ccc(OCC[NH+](C)C)cc3)CCC2)c1 ZINC000657782031 938358772 /nfs/dbraw/zinc/35/87/72/938358772.db2.gz KUDQTOKTWLUTMJ-UHFFFAOYSA-N 1 3 354.494 3.805 20 0 FHADHO COc1cc2ccc([C@@H](C)NC[C@H]3CC[N@@H+](C4CC4)C3)cc2cc1OC ZINC000657834009 938635429 /nfs/dbraw/zinc/63/54/29/938635429.db2.gz IDEAODIIRRYNEZ-HZPDHXFCSA-N 1 3 354.494 3.992 20 0 FHADHO COc1cc2ccc([C@@H](C)NC[C@H]3CC[N@H+](C4CC4)C3)cc2cc1OC ZINC000657834009 938635431 /nfs/dbraw/zinc/63/54/31/938635431.db2.gz IDEAODIIRRYNEZ-HZPDHXFCSA-N 1 3 354.494 3.992 20 0 FHADHO Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)o1 ZINC000708539713 938814355 /nfs/dbraw/zinc/81/43/55/938814355.db2.gz DXUNRKPWMBQXSR-OXJNMPFZSA-N 1 3 364.493 3.836 20 0 FHADHO C[N@H+](CCN1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1)Cc1ccccc1 ZINC000093104945 938925988 /nfs/dbraw/zinc/92/59/88/938925988.db2.gz RVPHMQDTJPCSFV-DNQXCXABSA-N 1 3 363.549 3.540 20 0 FHADHO C[N@@H+](CCN1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1)Cc1ccccc1 ZINC000093104945 938925990 /nfs/dbraw/zinc/92/59/90/938925990.db2.gz RVPHMQDTJPCSFV-DNQXCXABSA-N 1 3 363.549 3.540 20 0 FHADHO O=C(Nc1ccc(Cl)c(Cl)c1)C1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000117602710 938934009 /nfs/dbraw/zinc/93/40/09/938934009.db2.gz NUVXLSYUMCDVLS-CYBMUJFWSA-N 1 3 370.324 3.644 20 0 FHADHO C[C@H](NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc2ccncc2s1 ZINC000657885709 938971121 /nfs/dbraw/zinc/97/11/21/938971121.db2.gz GZXYXOFSQFQMSE-HRAATJIYSA-N 1 3 367.518 3.584 20 0 FHADHO C[C@H](NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cc2ccncc2s1 ZINC000657885709 938971123 /nfs/dbraw/zinc/97/11/23/938971123.db2.gz GZXYXOFSQFQMSE-HRAATJIYSA-N 1 3 367.518 3.584 20 0 FHADHO CC(C)Cc1ccc(CNCc2ccc(C[NH+]3CCC(O)CC3)cc2)cn1 ZINC000892397316 938991834 /nfs/dbraw/zinc/99/18/34/938991834.db2.gz KIZYWTRESWXFNK-UHFFFAOYSA-N 1 3 367.537 3.527 20 0 FHADHO COc1ccc([C@@H](C)[NH2+]C[C@H]2CCCN(Cc3ccccc3)C2)cc1O ZINC000685646315 939008070 /nfs/dbraw/zinc/00/80/70/939008070.db2.gz MTXCOXNCUOPFOI-IEBWSBKVSA-N 1 3 354.494 3.964 20 0 FHADHO O[C@H]1CC[N@H+](Cc2ccc(CN[C@@H]3CCSc4ccc(F)cc43)cc2)C1 ZINC000658137827 939040571 /nfs/dbraw/zinc/04/05/71/939040571.db2.gz IMUZXFQVSQXJDK-AZUAARDMSA-N 1 3 372.509 3.719 20 0 FHADHO O[C@H]1CC[N@@H+](Cc2ccc(CN[C@@H]3CCSc4ccc(F)cc43)cc2)C1 ZINC000658137827 939040574 /nfs/dbraw/zinc/04/05/74/939040574.db2.gz IMUZXFQVSQXJDK-AZUAARDMSA-N 1 3 372.509 3.719 20 0 FHADHO C[C@@H](NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cnc2ccsc2c1 ZINC000658139550 939042999 /nfs/dbraw/zinc/04/29/99/939042999.db2.gz MZGHPBGPDPLBCK-DNVCBOLYSA-N 1 3 367.518 3.714 20 0 FHADHO C[C@@H](NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cnc2ccsc2c1 ZINC000658139550 939043002 /nfs/dbraw/zinc/04/30/02/939043002.db2.gz MZGHPBGPDPLBCK-DNVCBOLYSA-N 1 3 367.518 3.714 20 0 FHADHO COc1ccc([C@@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)c(C)c1 ZINC000658162227 939052358 /nfs/dbraw/zinc/05/23/58/939052358.db2.gz CRJFYTLSPAHEOV-GOSISDBHSA-N 1 3 353.510 3.961 20 0 FHADHO c1ccc(COC2CC([NH2+]CC3CCN(Cc4ccncc4)CC3)C2)cc1 ZINC000658167257 939054933 /nfs/dbraw/zinc/05/49/33/939054933.db2.gz REKAZPKDMBQMJG-UHFFFAOYSA-N 1 3 365.521 3.631 20 0 FHADHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccccc1N(C)C ZINC000658168353 939055772 /nfs/dbraw/zinc/05/57/72/939055772.db2.gz WFQNQMRXJWDOJS-GOSISDBHSA-N 1 3 352.526 3.710 20 0 FHADHO Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000658320126 939110836 /nfs/dbraw/zinc/11/08/36/939110836.db2.gz NAPAWWYTTMROSU-XLIONFOSSA-N 1 3 352.526 3.681 20 0 FHADHO C[C@H](c1ccccc1)[C@@H](O)CNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000658337912 939115909 /nfs/dbraw/zinc/11/59/09/939115909.db2.gz AUKQLFZDPNVWHZ-ROKPMTFOSA-N 1 3 366.549 3.836 20 0 FHADHO C[C@@H](NCC1CC[NH+](CC2CC2)CC1)c1ncc(-c2ccccc2)n1C ZINC000658352368 939123796 /nfs/dbraw/zinc/12/37/96/939123796.db2.gz FQHNTIDUIGFEHK-QGZVFWFLSA-N 1 3 352.526 3.860 20 0 FHADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+][C@@H]4[C@@H]5CCO[C@@H]5C45CCCC5)[C@H]3C2)cc1 ZINC000507519942 945299094 /nfs/dbraw/zinc/29/90/94/945299094.db2.gz LQGVXYUROCZODA-CBZNWHGESA-N 1 3 366.549 3.834 20 0 FHADHO CN(C)C[C@H](N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccccc1 ZINC000507526210 945303312 /nfs/dbraw/zinc/30/33/12/945303312.db2.gz LKWNBYIRLRAFQE-KEZOAJOQSA-N 1 3 363.549 3.790 20 0 FHADHO CN(C)C[C@H](N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccccc1 ZINC000507526210 945303319 /nfs/dbraw/zinc/30/33/19/945303319.db2.gz LKWNBYIRLRAFQE-KEZOAJOQSA-N 1 3 363.549 3.790 20 0 FHADHO CC[C@H]([NH2+]CCCN1CCC(C)CC1)c1cc(OC)c(OC)c(OC)c1 ZINC000652135135 945313051 /nfs/dbraw/zinc/31/30/51/945313051.db2.gz HLDKDVAXFZJERA-SFHVURJKSA-N 1 3 364.530 3.875 20 0 FHADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNCc3c[nH]c4nccnc34)cc2)C1 ZINC000685840048 940430511 /nfs/dbraw/zinc/43/05/11/940430511.db2.gz IQKNDFRFJUYNTI-IAGOWNOFSA-N 1 3 363.509 3.677 20 0 FHADHO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNCc3c[nH]c4nccnc34)cc2)C1 ZINC000685840049 940430572 /nfs/dbraw/zinc/43/05/72/940430572.db2.gz IQKNDFRFJUYNTI-IRXDYDNUSA-N 1 3 363.509 3.677 20 0 FHADHO CN(CCc1ccc(C(C)(C)C)cc1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000685847991 940455941 /nfs/dbraw/zinc/45/59/41/940455941.db2.gz ICDGTVQDBUQAGM-QFIPXVFZSA-N 1 3 357.586 3.627 20 0 FHADHO CN(CCc1ccc(C(C)(C)C)cc1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000685847991 940455943 /nfs/dbraw/zinc/45/59/43/940455943.db2.gz ICDGTVQDBUQAGM-QFIPXVFZSA-N 1 3 357.586 3.627 20 0 FHADHO COc1ccc([C@H](C)[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)c(C)c1 ZINC000414073680 940481786 /nfs/dbraw/zinc/48/17/86/940481786.db2.gz NHTAHDDKKQWDKB-IBGZPJMESA-N 1 3 367.537 3.602 20 0 FHADHO Fc1ccc(-c2noc([C@H]3CCC[N@H+](CCCN4CCCCC4)C3)n2)cc1 ZINC000161751265 940495914 /nfs/dbraw/zinc/49/59/14/940495914.db2.gz UTHYVOSHCHUKEG-SFHVURJKSA-N 1 3 372.488 3.931 20 0 FHADHO Fc1ccc(-c2noc([C@H]3CCC[N@@H+](CCCN4CCCCC4)C3)n2)cc1 ZINC000161751265 940495915 /nfs/dbraw/zinc/49/59/15/940495915.db2.gz UTHYVOSHCHUKEG-SFHVURJKSA-N 1 3 372.488 3.931 20 0 FHADHO Fc1cccc(-c2noc([C@H]3CCC[N@H+](CCCN4CCCCC4)C3)n2)c1 ZINC000161753289 940502321 /nfs/dbraw/zinc/50/23/21/940502321.db2.gz QTTGVXIGXJUGFA-SFHVURJKSA-N 1 3 372.488 3.931 20 0 FHADHO Fc1cccc(-c2noc([C@H]3CCC[N@@H+](CCCN4CCCCC4)C3)n2)c1 ZINC000161753289 940502325 /nfs/dbraw/zinc/50/23/25/940502325.db2.gz QTTGVXIGXJUGFA-SFHVURJKSA-N 1 3 372.488 3.931 20 0 FHADHO CO[C@H]1c2ccccc2C[C@H]1N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000414221433 940791924 /nfs/dbraw/zinc/79/19/24/940791924.db2.gz KWWXSFIBFFHUSS-TYFWRSTJSA-N 1 3 350.506 3.799 20 0 FHADHO CO[C@H]1c2ccccc2C[C@H]1N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000414221433 940791926 /nfs/dbraw/zinc/79/19/26/940791926.db2.gz KWWXSFIBFFHUSS-TYFWRSTJSA-N 1 3 350.506 3.799 20 0 FHADHO CN(CCC1CCCCC1)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000507595676 945357801 /nfs/dbraw/zinc/35/78/01/945357801.db2.gz HPPASZZGTMFRBI-UHFFFAOYSA-N 1 3 371.569 3.801 20 0 FHADHO CCc1ncc(C[NH2+]CC2CCN(Cc3ccccc3Cl)CC2)cn1 ZINC000414349514 941020462 /nfs/dbraw/zinc/02/04/62/941020462.db2.gz YENUGCNVVXAQTB-UHFFFAOYSA-N 1 3 358.917 3.694 20 0 FHADHO CCN1CCN(C[C@@H](C)C[NH2+][C@H]2CCc3cc(Cl)cc(Cl)c32)CC1 ZINC000134379167 941062492 /nfs/dbraw/zinc/06/24/92/941062492.db2.gz IKQGZNIGVUNNSR-KSSFIOAISA-N 1 3 370.368 3.844 20 0 FHADHO COc1ccc(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1Br ZINC000647544016 941065830 /nfs/dbraw/zinc/06/58/30/941065830.db2.gz VOOQMCSRTQRRIG-JKSUJKDBSA-N 1 3 367.331 3.669 20 0 FHADHO CC[N@H+](Cc1ccc(C(=O)NC[C@@H](c2ccccc2)N(C)C)cc1)C1CC1 ZINC000511512935 941146229 /nfs/dbraw/zinc/14/62/29/941146229.db2.gz NGBYNOJGJRMDKO-QFIPXVFZSA-N 1 3 365.521 3.704 20 0 FHADHO CC[N@@H+](Cc1ccc(C(=O)NC[C@@H](c2ccccc2)N(C)C)cc1)C1CC1 ZINC000511512935 941146231 /nfs/dbraw/zinc/14/62/31/941146231.db2.gz NGBYNOJGJRMDKO-QFIPXVFZSA-N 1 3 365.521 3.704 20 0 FHADHO C[C@H](NCc1ccc(C(C)(C)O)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311503767 941315198 /nfs/dbraw/zinc/31/51/98/941315198.db2.gz FTPKQWWUFBYDCN-RXVVDRJESA-N 1 3 352.522 3.914 20 0 FHADHO C[C@H](NCc1ccc(C(C)(C)O)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311503767 941315202 /nfs/dbraw/zinc/31/52/02/941315202.db2.gz FTPKQWWUFBYDCN-RXVVDRJESA-N 1 3 352.522 3.914 20 0 FHADHO C[C@H]([NH2+]Cc1ccc(C(C)(C)O)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000311503767 941315206 /nfs/dbraw/zinc/31/52/06/941315206.db2.gz FTPKQWWUFBYDCN-RXVVDRJESA-N 1 3 352.522 3.914 20 0 FHADHO CSc1cc2c(cc1CN[C@H](CCC[NH3+])c1ccccc1)OCCO2 ZINC000415052811 941572007 /nfs/dbraw/zinc/57/20/07/941572007.db2.gz LKZHCOJJYKJRNH-QGZVFWFLSA-N 1 3 358.507 3.750 20 0 FHADHO CC[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(F)cc1 ZINC000472770655 941730850 /nfs/dbraw/zinc/73/08/50/941730850.db2.gz MKBMZRDCZRWIBJ-ILWGZMRPSA-N 1 3 356.485 3.749 20 0 FHADHO CC[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(F)cc1 ZINC000472770655 941730854 /nfs/dbraw/zinc/73/08/54/941730854.db2.gz MKBMZRDCZRWIBJ-ILWGZMRPSA-N 1 3 356.485 3.749 20 0 FHADHO CCc1ccc([C@@H]2CCC[N@H+](CCCN3CCN(C(C)C)CC3)C2)cc1 ZINC000513392884 941888583 /nfs/dbraw/zinc/88/85/83/941888583.db2.gz ZFSODDRAQKLJME-HSZRJFAPSA-N 1 3 357.586 3.845 20 0 FHADHO CCc1ccc([C@@H]2CCC[N@@H+](CCCN3CCN(C(C)C)CC3)C2)cc1 ZINC000513392884 941888586 /nfs/dbraw/zinc/88/85/86/941888586.db2.gz ZFSODDRAQKLJME-HSZRJFAPSA-N 1 3 357.586 3.845 20 0 FHADHO CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)cc1 ZINC000513627713 942053242 /nfs/dbraw/zinc/05/32/42/942053242.db2.gz XSTLQRDLPAVILM-FCHUYYIVSA-N 1 3 365.521 3.704 20 0 FHADHO C[NH2+]Cc1cccc(NC(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)c1 ZINC000415917687 942143212 /nfs/dbraw/zinc/14/32/12/942143212.db2.gz JSBOZECTQHYROA-NRFANRHFSA-N 1 3 366.509 3.673 20 0 FHADHO CC[NH2+]Cc1cccc(NC(=O)NC[C@H](c2ccc(C)cc2)N(C)C)c1 ZINC000415911905 942146337 /nfs/dbraw/zinc/14/63/37/942146337.db2.gz ZFJGOLLOPQBJLZ-HXUWFJFHSA-N 1 3 354.498 3.529 20 0 FHADHO CC[NH2+]Cc1cccc(NC(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)c1 ZINC000415935231 942162282 /nfs/dbraw/zinc/16/22/82/942162282.db2.gz RHOCVCJTHVESMH-DYESRHJHSA-N 1 3 366.509 3.753 20 0 FHADHO c1[nH]nc2c1CC[C@H]([NH2+][C@H]1CCCC[C@H]3CN(Cc4ccccc4)C[C@@H]31)C2 ZINC000513697677 942204618 /nfs/dbraw/zinc/20/46/18/942204618.db2.gz QNEGVVZQRGFQNF-CMOCDZPBSA-N 1 3 364.537 3.547 20 0 FHADHO CC[NH+]1CCC(N2CCCN([C@@H](C)c3cc(F)ccc3F)CC2)CC1 ZINC000420984672 942282388 /nfs/dbraw/zinc/28/23/88/942282388.db2.gz UGIHLAASGLCOAP-INIZCTEOSA-N 1 3 351.485 3.518 20 0 FHADHO CCC[N@H+](CCCN1CCN(C(C)C)CC1)[C@@H]1CCc2ccccc2C1 ZINC000501079942 942299108 /nfs/dbraw/zinc/29/91/08/942299108.db2.gz VNQVWWOEUUMXAK-HSZRJFAPSA-N 1 3 357.586 3.672 20 0 FHADHO CCC[N@@H+](CCCN1CCN(C(C)C)CC1)[C@@H]1CCc2ccccc2C1 ZINC000501079942 942299111 /nfs/dbraw/zinc/29/91/11/942299111.db2.gz VNQVWWOEUUMXAK-HSZRJFAPSA-N 1 3 357.586 3.672 20 0 FHADHO CCN1CCN(CCC[NH2+][C@@H](C)[C@@H]2C[C@H]2c2ccc(Cl)s2)CC1 ZINC000378190823 942373015 /nfs/dbraw/zinc/37/30/15/942373015.db2.gz MZENWVXLTFEWFE-HRCADAONSA-N 1 3 355.979 3.511 20 0 FHADHO CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)cc1 ZINC000513825099 942554796 /nfs/dbraw/zinc/55/47/96/942554796.db2.gz VZRZWQAUJSAMAO-PGRDOPGGSA-N 1 3 367.537 3.950 20 0 FHADHO CCCN(CC[C@@H]1CC[NH2+]C1)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000420316661 942618155 /nfs/dbraw/zinc/61/81/55/942618155.db2.gz MXMGREFPKLYEDO-ZDUSSCGKSA-N 1 3 358.313 3.644 20 0 FHADHO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420340189 942623816 /nfs/dbraw/zinc/62/38/16/942623816.db2.gz MTDUBIPXOZSIRM-OTWHNJEPSA-N 1 3 357.542 3.767 20 0 FHADHO CC1(C)C[NH2+]CC[C@H]1NCCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000420352554 942634665 /nfs/dbraw/zinc/63/46/65/942634665.db2.gz APVYNJZYYAIDID-HXUWFJFHSA-N 1 3 367.493 3.785 20 0 FHADHO COc1ccc([C@H](CN)C[N@H+](Cc2ccc(F)cc2)C2CCOCC2)cc1 ZINC000420368964 942642850 /nfs/dbraw/zinc/64/28/50/942642850.db2.gz XEIWTMMAXBUQFF-LJQANCHMSA-N 1 3 372.484 3.558 20 0 FHADHO COc1ccc([C@H](CN)C[N@@H+](Cc2ccc(F)cc2)C2CCOCC2)cc1 ZINC000420368964 942642856 /nfs/dbraw/zinc/64/28/56/942642856.db2.gz XEIWTMMAXBUQFF-LJQANCHMSA-N 1 3 372.484 3.558 20 0 FHADHO [NH3+]C[C@@H](NCCC(=O)Nc1c(Cl)cccc1Cl)C1CCCCC1 ZINC000420373449 942644622 /nfs/dbraw/zinc/64/46/22/942644622.db2.gz RBLAEMZMHMHOLF-OAHLLOKOSA-N 1 3 358.313 3.819 20 0 FHADHO C[NH+](C)CCCC1CCN([C@H](C(=O)N2CCCCC2)c2ccccc2)CC1 ZINC000501774934 942666933 /nfs/dbraw/zinc/66/69/33/942666933.db2.gz LQDUAEJWLBFDTC-QFIPXVFZSA-N 1 3 371.569 3.794 20 0 FHADHO Cc1ccc2c(CN[C@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)ccc(O)c2n1 ZINC000514248352 942849558 /nfs/dbraw/zinc/84/95/58/942849558.db2.gz ORKPNTZSHUCPOE-SJLPKXTDSA-N 1 3 353.510 3.991 20 0 FHADHO Cc1ccc2c(CN[C@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)ccc(O)c2n1 ZINC000514248352 942849562 /nfs/dbraw/zinc/84/95/62/942849562.db2.gz ORKPNTZSHUCPOE-SJLPKXTDSA-N 1 3 353.510 3.991 20 0 FHADHO Cc1c([C@H](C)NC2CCC([NH+](C)C)CC2)nnn1-c1cccc(Cl)c1 ZINC000421876743 942861088 /nfs/dbraw/zinc/86/10/88/942861088.db2.gz LBNYMNJZWNEICK-IGEOTXOUSA-N 1 3 361.921 3.753 20 0 FHADHO Cc1c([C@H](C)NC2CCC([NH+](C)C)CC2)nnn1-c1ccc(Cl)cc1 ZINC000421890520 942867414 /nfs/dbraw/zinc/86/74/14/942867414.db2.gz XYTPRUKQOWQYQT-IGEOTXOUSA-N 1 3 361.921 3.753 20 0 FHADHO CC1CCC(N2CCC([NH2+]C3CCN(c4nccs4)CC3)CC2)CC1 ZINC000378576248 942906070 /nfs/dbraw/zinc/90/60/70/942906070.db2.gz ZWRVWNYZEIWHBI-UHFFFAOYSA-N 1 3 362.587 3.745 20 0 FHADHO C[N@@H+]1CCC[C@H]1CCN1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000503051168 942926639 /nfs/dbraw/zinc/92/66/39/942926639.db2.gz HMCWOUFNTKUNLK-IBGZPJMESA-N 1 3 361.533 3.858 20 0 FHADHO C[N@H+]1CCC[C@H]1CCN1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000503051168 942926643 /nfs/dbraw/zinc/92/66/43/942926643.db2.gz HMCWOUFNTKUNLK-IBGZPJMESA-N 1 3 361.533 3.858 20 0 FHADHO C[C@]1(C[NH2+]Cc2cncc(Br)c2)CCN(Cc2ccccc2)C1 ZINC000309735975 942974941 /nfs/dbraw/zinc/97/49/41/942974941.db2.gz QNTDRDJVSYBZSA-LJQANCHMSA-N 1 3 374.326 3.846 20 0 FHADHO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)N[C@@H](C[NH3+])C1CCCCC1 ZINC000414856655 943019158 /nfs/dbraw/zinc/01/91/58/943019158.db2.gz ZDOUFWFRIYXZJS-KXBFYZLASA-N 1 3 365.949 3.574 20 0 FHADHO CC(C)[NH+]1CCC(N2CCN(CC[C@@H]3CCc4ccccc43)CC2)CC1 ZINC000660107864 943183950 /nfs/dbraw/zinc/18/39/50/943183950.db2.gz RDQIWBCPTKPXEK-NRFANRHFSA-N 1 3 355.570 3.597 20 0 FHADHO CC[NH2+]Cc1cccc(NCc2ccccc2N2CCN(CC)CC2)c1 ZINC000414867319 943225511 /nfs/dbraw/zinc/22/55/11/943225511.db2.gz NEYTUGXQXXWRFH-UHFFFAOYSA-N 1 3 352.526 3.550 20 0 FHADHO N[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3ccc(Br)cc3)C2)c2ccccc21 ZINC000422703264 943239527 /nfs/dbraw/zinc/23/95/27/943239527.db2.gz HJEDYBVFNSHBSN-GDIGMMSISA-N 1 3 372.310 3.762 20 0 FHADHO CCN(CC)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(C(F)(F)F)cc1 ZINC000422711379 943244194 /nfs/dbraw/zinc/24/41/94/943244194.db2.gz FWENVBZOQMECTF-SWDXFRIISA-N 1 3 369.475 3.961 20 0 FHADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1cccc(NC(=O)c2cccc(F)c2)c1 ZINC000422714785 943254091 /nfs/dbraw/zinc/25/40/91/943254091.db2.gz RNFBHBTZNJFATA-FXAWDEMLSA-N 1 3 355.457 3.685 20 0 FHADHO CC[C@H](N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(OC)cc1 ZINC000422753781 943273095 /nfs/dbraw/zinc/27/30/95/943273095.db2.gz DEVAYKQWFLASBL-VWPQPMDRSA-N 1 3 352.478 3.992 20 0 FHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H]1CCCN(c2ccccc2Cl)C1 ZINC000422775198 943278428 /nfs/dbraw/zinc/27/84/28/943278428.db2.gz AMZSEQQOGXWMIC-WBVHZDCISA-N 1 3 358.917 3.822 20 0 FHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H]1CCCN(c2ccccc2Cl)C1 ZINC000422775196 943278679 /nfs/dbraw/zinc/27/86/79/943278679.db2.gz AMZSEQQOGXWMIC-NVXWUHKLSA-N 1 3 358.917 3.822 20 0 FHADHO Clc1cnc(NCCN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c(Cl)c1 ZINC000422778887 943279913 /nfs/dbraw/zinc/27/99/13/943279913.db2.gz HWZWTWAVSAFPIA-VNQPRFMTSA-N 1 3 357.329 3.701 20 0 FHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000422785277 943282538 /nfs/dbraw/zinc/28/25/38/943282538.db2.gz NFWPBGCFPAEMGS-HNNXBMFYSA-N 1 3 372.944 3.817 20 0 FHADHO COc1ccc(C[C@H](N[C@@H]2CC[NH2+]CC[C@@H]2C)c2ccc(OC)cc2)cc1 ZINC000422762620 943284259 /nfs/dbraw/zinc/28/42/59/943284259.db2.gz ILNUPFBAWAEYBG-IMRHEYAYSA-N 1 3 368.521 3.965 20 0 FHADHO Cc1nc(C[NH3+])ccc1[C@@H](C)NCc1ccc(OCC(F)(F)F)cc1 ZINC000422800056 943288720 /nfs/dbraw/zinc/28/87/20/943288720.db2.gz ANDPCOKWKRRCTF-GFCCVEGCSA-N 1 3 353.388 3.641 20 0 FHADHO CCN(c1ccccc1)c1ccc(CN[C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])cc1 ZINC000422789338 943293117 /nfs/dbraw/zinc/29/31/17/943293117.db2.gz ODTAVIFOKDYPFA-ZPMCFJSWSA-N 1 3 353.510 3.687 20 0 FHADHO CC(C)Oc1ccc(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422822907 943295571 /nfs/dbraw/zinc/29/55/71/943295571.db2.gz BURJVAVMFVILML-RBBKRZOGSA-N 1 3 352.478 3.819 20 0 FHADHO Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+][C@@H](C)c2ccc(CN)nc2C)C1 ZINC000422875988 943313623 /nfs/dbraw/zinc/31/36/23/943313623.db2.gz FAHNYFKIODQAEN-DOTOQJQBSA-N 1 3 372.944 3.988 20 0 FHADHO Cc1ccc(Cl)cc1N1CC[C@@H](C[NH2+][C@H](C)c2ccc(CN)nc2C)C1 ZINC000422876101 943313638 /nfs/dbraw/zinc/31/36/38/943313638.db2.gz FAHNYFKIODQAEN-WBVHZDCISA-N 1 3 372.944 3.988 20 0 FHADHO Cc1cc(C)n(-c2ccccc2CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)n1 ZINC000422890366 943319771 /nfs/dbraw/zinc/31/97/71/943319771.db2.gz RTFCCJMLSMBUTN-PWRODBHTSA-N 1 3 352.526 3.890 20 0 FHADHO COc1cc2[nH]c(CCCN[C@@H]3C[C@@H]([NH3+])c4ccccc43)cc2c(OC)c1 ZINC000422870279 943320572 /nfs/dbraw/zinc/32/05/72/943320572.db2.gz XNGOOOBRPAVJOU-WOJBJXKFSA-N 1 3 365.477 3.852 20 0 FHADHO CCCOc1ccc(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422902221 943325360 /nfs/dbraw/zinc/32/53/60/943325360.db2.gz UEWVUZVFBFVJOD-UNMCSNQZSA-N 1 3 352.478 3.821 20 0 FHADHO CCC(CC)(CNC(=O)N1CCN(C)CC[C@H]1C)[NH2+][C@@H](C)c1ccccc1 ZINC000503701851 943344886 /nfs/dbraw/zinc/34/48/86/943344886.db2.gz NJFPMILIVITJDW-MOPGFXCFSA-N 1 3 374.573 3.632 20 0 FHADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H]1CCc2c1cccc2Br ZINC000422958101 943349299 /nfs/dbraw/zinc/34/92/99/943349299.db2.gz OOQUNBJSKHZFDA-KPZWWZAWSA-N 1 3 360.299 3.949 20 0 FHADHO COc1cc(CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(-c2ccccc2)cc1OC ZINC000435377644 943358131 /nfs/dbraw/zinc/35/81/31/943358131.db2.gz DWDNAAHMNWTXPH-VDGAXYAQSA-N 1 3 352.478 3.540 20 0 FHADHO Cc1ccc([C@H](Cn2ccnc2)N[C@H](C)c2ccc(C[NH3+])nc2C)c(C)c1 ZINC000423008285 943363724 /nfs/dbraw/zinc/36/37/24/943363724.db2.gz ZRLLTYBFUROGNK-GCJKJVERSA-N 1 3 363.509 3.754 20 0 FHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000423022515 943367792 /nfs/dbraw/zinc/36/77/92/943367792.db2.gz HYJNUSGNQZVXIW-UKRRQHHQSA-N 1 3 362.880 3.571 20 0 FHADHO N[C@@H]1C[C@@H]([NH2+]CCCc2nc(-c3ccc(F)cc3)no2)c2ccccc21 ZINC000423028596 943371125 /nfs/dbraw/zinc/37/11/25/943371125.db2.gz GWHNBBMXYDNSAV-QZTJIDSGSA-N 1 3 352.413 3.543 20 0 FHADHO FC(F)(F)c1ccccc1N1CC[C@H](N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000423057814 943377530 /nfs/dbraw/zinc/37/75/30/943377530.db2.gz AWLALGXKMZSAMO-UOVPBQLFSA-N 1 3 367.459 3.794 20 0 FHADHO C[C@H]([NH3+])C[C@H](C)N[C@@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000423071052 943382035 /nfs/dbraw/zinc/38/20/35/943382035.db2.gz NXHRXIJYJYUARY-DEYYWGMASA-N 1 3 362.315 3.843 20 0 FHADHO Fc1cccc(C2(CN[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)CCCC2)c1F ZINC000423077875 943385544 /nfs/dbraw/zinc/38/55/44/943385544.db2.gz NCSVPWSLOCLITE-AYOQOUSVSA-N 1 3 364.480 3.523 20 0 FHADHO CCCNc1ccc(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000423078667 943386368 /nfs/dbraw/zinc/38/63/68/943386368.db2.gz WLPOTIWGZFAIEI-RBBKRZOGSA-N 1 3 351.494 3.854 20 0 FHADHO CCO[C@H](CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000423089109 943390570 /nfs/dbraw/zinc/39/05/70/943390570.db2.gz RRZRXVLEAXKDPJ-CEMLEFRQSA-N 1 3 352.478 3.610 20 0 FHADHO CC(C)Oc1ccc([C@H](CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)N(C)C)cc1 ZINC000423122962 943397818 /nfs/dbraw/zinc/39/78/18/943397818.db2.gz KJZJKJPOYHKSQU-ODAXIHTASA-N 1 3 373.585 3.977 20 0 FHADHO CN(CCC(F)(F)F)[C@H](C[NH2+][C@H]1CCC[C@@H]1N)c1ccc(Cl)cc1 ZINC000423106760 943402945 /nfs/dbraw/zinc/40/29/45/943402945.db2.gz PDCKHEMEHSIGEP-HRCADAONSA-N 1 3 363.855 3.735 20 0 FHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC1(N(C)Cc2ccccc2)CCC1 ZINC000423152796 943410714 /nfs/dbraw/zinc/41/07/14/943410714.db2.gz MLEHWZWMANDKCW-KRWDZBQOSA-N 1 3 352.526 3.554 20 0 FHADHO Brc1ccc2c(c1)[C@H](NCCC[NH2+]Cc1cccnc1)CC2 ZINC000423181829 943430655 /nfs/dbraw/zinc/43/06/55/943430655.db2.gz DCJJGZZFUKNLTJ-GOSISDBHSA-N 1 3 360.299 3.601 20 0 FHADHO [NH3+]CCCN[C@H](c1ccc(Br)cc1C(F)(F)F)C1CC1 ZINC000423195459 943438551 /nfs/dbraw/zinc/43/85/51/943438551.db2.gz SOJFZGJAAVVTAF-ZDUSSCGKSA-N 1 3 351.210 3.857 20 0 FHADHO CC(C)[NH+](CCN(C)C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1)C(C)C ZINC000503986613 943442800 /nfs/dbraw/zinc/44/28/00/943442800.db2.gz LWGIGDASHQAIQE-FPOVZHCZSA-N 1 3 374.573 3.582 20 0 FHADHO COCCOc1ccc([C@@H](C)NCc2ccc([C@H](C)[NH3+])cc2)cc1OC ZINC000423292965 943467224 /nfs/dbraw/zinc/46/72/24/943467224.db2.gz PDMIYOXVKQLGQP-JKSUJKDBSA-N 1 3 358.482 3.591 20 0 FHADHO CCc1ccc(C[C@H](Cc2ccc(Cl)cc2)NCC2([NH3+])CCC2)nc1 ZINC000423332999 943482611 /nfs/dbraw/zinc/48/26/11/943482611.db2.gz PQQRLIJRKDPTHP-FQEVSTJZSA-N 1 3 357.929 3.922 20 0 FHADHO C[C@H](CCCc1cccnc1)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000423369836 943493504 /nfs/dbraw/zinc/49/35/04/943493504.db2.gz OXLNQQPFUQCIGU-YWMUFLPLSA-N 1 3 359.464 3.806 20 0 FHADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@@H]2NCCc3ccccc32)CC1 ZINC000423419644 943503990 /nfs/dbraw/zinc/50/39/90/943503990.db2.gz IUCNHTVOZJMKGA-CYFREDJKSA-N 1 3 363.549 3.559 20 0 FHADHO CCc1ccccc1[C@@H]([NH3+])CN[C@@H](CCn1cncn1)c1ccc(C)cc1 ZINC000423499301 943529440 /nfs/dbraw/zinc/52/94/40/943529440.db2.gz JJMSOIFURDWXCQ-VXKWHMMOSA-N 1 3 363.509 3.570 20 0 FHADHO NC1(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)C2CC3CC(C2)CC1C3 ZINC000423531329 943539272 /nfs/dbraw/zinc/53/92/72/943539272.db2.gz SKMSKVYIQQTNOZ-NPYWFKPBSA-N 1 3 354.538 3.898 20 0 FHADHO [NH3+]C[C@@H]1CC[C@@H](N[C@@H](c2ccc(Br)o2)c2ccc(F)cc2)C1 ZINC000423514397 943542553 /nfs/dbraw/zinc/54/25/53/943542553.db2.gz SBYCHCNVMBPXLJ-JDSLSITLSA-N 1 3 367.262 3.988 20 0 FHADHO Brc1cccc([C@H](NCCC[NH2+]C2CC2)C2CCOCC2)c1 ZINC000423567183 943558837 /nfs/dbraw/zinc/55/88/37/943558837.db2.gz UZVBMOSIUQHCTR-GOSISDBHSA-N 1 3 367.331 3.649 20 0 FHADHO C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1CC[C@H]2[NH2+]C1CCNCC1 ZINC000414775449 943736382 /nfs/dbraw/zinc/73/63/82/943736382.db2.gz CRZNGPXPMFSFGN-KCSJKLDESA-N 1 3 354.538 3.959 20 0 FHADHO CCOc1cc(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc(Cl)c1OC ZINC000414778002 943779303 /nfs/dbraw/zinc/77/93/03/943779303.db2.gz IUOPXOXIZRHQGC-HZPDHXFCSA-N 1 3 352.906 3.569 20 0 FHADHO COc1cccc(C[C@@H](C)[NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)n1 ZINC000584869021 943821519 /nfs/dbraw/zinc/82/15/19/943821519.db2.gz RXCCSBUKWNIQEM-CTNGQTDRSA-N 1 3 367.537 3.913 20 0 FHADHO C[C@H]1C[N@H+](CCCN[C@@H](Cc2ccncc2)c2cccs2)CCCO1 ZINC000424279023 943833966 /nfs/dbraw/zinc/83/39/66/943833966.db2.gz JWEPIDZNDRBXRT-HKUYNNGSSA-N 1 3 359.539 3.517 20 0 FHADHO C[C@H]1C[N@@H+](CCCN[C@@H](Cc2ccncc2)c2cccs2)CCCO1 ZINC000424279023 943833970 /nfs/dbraw/zinc/83/39/70/943833970.db2.gz JWEPIDZNDRBXRT-HKUYNNGSSA-N 1 3 359.539 3.517 20 0 FHADHO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(C[C@H]1CCCO1)C(F)(F)F ZINC000651445511 943851270 /nfs/dbraw/zinc/85/12/70/943851270.db2.gz YIYURYXWWFKRAS-HUUCEWRRSA-N 1 3 358.404 3.743 20 0 FHADHO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000414790328 943938343 /nfs/dbraw/zinc/93/83/43/943938343.db2.gz AAXDVWJUKRBRJX-UMVBOHGHSA-N 1 3 357.420 3.530 20 0 FHADHO [NH3+][C@H]1CCO[C@H](C2CCN(Cc3cnc(-c4ccsc4)s3)CC2)C1 ZINC000515517166 943948632 /nfs/dbraw/zinc/94/86/32/943948632.db2.gz LQFKZDGAQLGDPU-RDJZCZTQSA-N 1 3 363.552 3.590 20 0 FHADHO O[C@@H]1CCC[C@@H]1[NH+]1CCC(N[C@@H]2CCCc3c4ccccc4[nH]c32)CC1 ZINC000290450273 944003566 /nfs/dbraw/zinc/00/35/66/944003566.db2.gz VYMGXUIFSXFIQL-QHAWAJNXSA-N 1 3 353.510 3.513 20 0 FHADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000436281969 944162014 /nfs/dbraw/zinc/16/20/14/944162014.db2.gz HTUWDGCWVRZURO-LXHROKJGSA-N 1 3 370.537 3.609 20 0 FHADHO C[C@@H](C[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1)CN(C)C ZINC000425923968 944189520 /nfs/dbraw/zinc/18/95/20/944189520.db2.gz OXWJHQWQMQUHEV-KSSFIOAISA-N 1 3 369.347 3.704 20 0 FHADHO C[C@@H](CN[C@H](c1cccc(Br)c1)C1CCOCC1)C[NH+](C)C ZINC000425923968 944189523 /nfs/dbraw/zinc/18/95/23/944189523.db2.gz OXWJHQWQMQUHEV-KSSFIOAISA-N 1 3 369.347 3.704 20 0 FHADHO CC(C)(C)OC(=O)N(CC[NH2+]C1CCN(C(C)(C)C)CC1)C(C)(C)C ZINC000302101798 944350113 /nfs/dbraw/zinc/35/01/13/944350113.db2.gz SCSIFPXACFERBY-UHFFFAOYSA-N 1 3 355.567 3.875 20 0 FHADHO COc1cc2c(c(C[NH2+]CCCN(C)Cc3ccccc3)c1)O[C@H](C)C2 ZINC000517541130 944371326 /nfs/dbraw/zinc/37/13/26/944371326.db2.gz SZOYYBWLEWCGKA-QGZVFWFLSA-N 1 3 354.494 3.630 20 0 FHADHO COc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1)CC2 ZINC000414998195 944620881 /nfs/dbraw/zinc/62/08/81/944620881.db2.gz IBTGMLFCWKCECU-IEIRFRATSA-N 1 3 368.496 3.675 20 0 FHADHO CC[C@@H]1C[N@H+](Cc2ccccc2CN2CCCO[C@@H](CC)C2)CCCO1 ZINC000439470757 944649062 /nfs/dbraw/zinc/64/90/62/944649062.db2.gz DQYKDPDRTLISGP-SZPZYZBQSA-N 1 3 360.542 3.688 20 0 FHADHO CC[C@@H]1C[N@@H+](Cc2ccccc2CN2CCCO[C@@H](CC)C2)CCCO1 ZINC000439470757 944649072 /nfs/dbraw/zinc/64/90/72/944649072.db2.gz DQYKDPDRTLISGP-SZPZYZBQSA-N 1 3 360.542 3.688 20 0 FHADHO CC[C@@H]1CN(Cc2ccccc2C[N@@H+]2CCCO[C@@H](CC)C2)CCCO1 ZINC000439470757 944649082 /nfs/dbraw/zinc/64/90/82/944649082.db2.gz DQYKDPDRTLISGP-SZPZYZBQSA-N 1 3 360.542 3.688 20 0 FHADHO CC[C@@H]1CN(Cc2ccccc2C[N@H+]2CCCO[C@@H](CC)C2)CCCO1 ZINC000439470757 944649090 /nfs/dbraw/zinc/64/90/90/944649090.db2.gz DQYKDPDRTLISGP-SZPZYZBQSA-N 1 3 360.542 3.688 20 0 FHADHO C[NH+](C)CC1CCC(NCc2c(F)ccc(Br)c2F)CC1 ZINC000500374728 944669222 /nfs/dbraw/zinc/66/92/22/944669222.db2.gz GDKHEPZDBIGXCW-UHFFFAOYSA-N 1 3 361.274 3.937 20 0 FHADHO CCN1CCN(c2ccccc2C[NH2+]CC2CCC(F)(F)CC2)CC1 ZINC000500424920 944870859 /nfs/dbraw/zinc/87/08/59/944870859.db2.gz FAPUPVASUGCXFG-UHFFFAOYSA-N 1 3 351.485 3.744 20 0 FHADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@H]3CCC[C@H](N4CCCC4=O)C3)CC2)C1 ZINC000519001205 945015773 /nfs/dbraw/zinc/01/57/73/945015773.db2.gz SZLWCYYAONPDCQ-HZEGPAAWSA-N 1 3 361.574 3.553 20 0 FHADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NC[C@H]3Cc4ccccc4N(C)C3)CC2)C1 ZINC000437097255 945016704 /nfs/dbraw/zinc/01/67/04/945016704.db2.gz PDJJNWKJZDTZNU-KNKQGSTJSA-N 1 3 355.570 3.928 20 0 FHADHO Cc1nn(-c2ccncc2)cc1CN(CC[NH+](C)C)CC1CCCCC1 ZINC000516602890 945046391 /nfs/dbraw/zinc/04/63/91/945046391.db2.gz DCPUSTCCVKAGGG-UHFFFAOYSA-N 1 3 355.530 3.520 20 0 FHADHO OC[C@H]1CCC[N@@H+]1Cc1ccccc1CN[C@H](c1cccnc1)C1CCC1 ZINC000280975166 945485000 /nfs/dbraw/zinc/48/50/00/945485000.db2.gz VSOGLVGYMXMPMJ-PKTZIBPZSA-N 1 3 365.521 3.669 20 0 FHADHO OC[C@H]1CCC[N@H+]1Cc1ccccc1CN[C@H](c1cccnc1)C1CCC1 ZINC000280975166 945485001 /nfs/dbraw/zinc/48/50/01/945485001.db2.gz VSOGLVGYMXMPMJ-PKTZIBPZSA-N 1 3 365.521 3.669 20 0 FHADHO C[NH+]1CCN(c2cccc(Cl)c2CNc2cc3c(cn2)CCC3)CC1 ZINC000550311157 945643599 /nfs/dbraw/zinc/64/35/99/945643599.db2.gz FPOBPQILYLQQCE-UHFFFAOYSA-N 1 3 356.901 3.588 20 0 FHADHO COCCCN1CCC([NH2+][C@H](C)c2ccc(-c3ccccc3)cn2)CC1 ZINC000651695568 945697851 /nfs/dbraw/zinc/69/78/51/945697851.db2.gz OTCNTMQACJFJMA-GOSISDBHSA-N 1 3 353.510 3.900 20 0 FHADHO CC(C)CN(CCN(C)C)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000444023164 945739599 /nfs/dbraw/zinc/73/95/99/945739599.db2.gz JLTPCXHTDDXJFX-UHFFFAOYSA-N 1 3 374.573 3.767 20 0 FHADHO CCCN1CCC[C@@H]1C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000522860639 946009434 /nfs/dbraw/zinc/00/94/34/946009434.db2.gz JAKXTSIMXAIHSO-JOCHJYFZSA-N 1 3 371.569 3.942 20 0 FHADHO CCCN1CCC[C@@H]1C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000522860639 946009444 /nfs/dbraw/zinc/00/94/44/946009444.db2.gz JAKXTSIMXAIHSO-JOCHJYFZSA-N 1 3 371.569 3.942 20 0 FHADHO CN1CCCC[C@@H]1CC[N@H+](C)CCC(=O)Nc1cccc2ccccc21 ZINC000444173262 946020783 /nfs/dbraw/zinc/02/07/83/946020783.db2.gz UFIALAXIZXAHOS-LJQANCHMSA-N 1 3 353.510 3.975 20 0 FHADHO CN1CCCC[C@@H]1CC[N@@H+](C)CCC(=O)Nc1cccc2ccccc21 ZINC000444173262 946020790 /nfs/dbraw/zinc/02/07/90/946020790.db2.gz UFIALAXIZXAHOS-LJQANCHMSA-N 1 3 353.510 3.975 20 0 FHADHO CCCN1CCC[C@@H]1C(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000522891769 946065065 /nfs/dbraw/zinc/06/50/65/946065065.db2.gz HWLOVPKQKVEFIS-XQBPLPMBSA-N 1 3 371.569 3.655 20 0 FHADHO CCCN1CCC[C@@H]1C(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000522891769 946065077 /nfs/dbraw/zinc/06/50/77/946065077.db2.gz HWLOVPKQKVEFIS-XQBPLPMBSA-N 1 3 371.569 3.655 20 0 FHADHO CCCN1CCC[C@@H]1C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000522893918 946074582 /nfs/dbraw/zinc/07/45/82/946074582.db2.gz ICTYQVALXZJIPS-WIYYLYMNSA-N 1 3 357.542 3.552 20 0 FHADHO CCCN1CCC[C@@H]1C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000522893918 946074595 /nfs/dbraw/zinc/07/45/95/946074595.db2.gz ICTYQVALXZJIPS-WIYYLYMNSA-N 1 3 357.542 3.552 20 0 FHADHO Cc1ccc2nccc(N3CCC(C[NH+]4C[C@@H](C)O[C@H](C)C4)CC3)c2c1 ZINC000302143665 946142126 /nfs/dbraw/zinc/14/21/26/946142126.db2.gz GJMODDSTPIKEDY-QZTJIDSGSA-N 1 3 353.510 3.869 20 0 FHADHO CCOc1cc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)ccc1OC(F)F ZINC000514105370 946203810 /nfs/dbraw/zinc/20/38/10/946203810.db2.gz QWACQLUYMCQFBG-XHSDSOJGSA-N 1 3 354.441 3.649 20 0 FHADHO CCOc1cc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)ccc1OC(F)F ZINC000514105370 946203815 /nfs/dbraw/zinc/20/38/15/946203815.db2.gz QWACQLUYMCQFBG-XHSDSOJGSA-N 1 3 354.441 3.649 20 0 FHADHO CCOc1cc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)ccc1OC(F)F ZINC000514105370 946203820 /nfs/dbraw/zinc/20/38/20/946203820.db2.gz QWACQLUYMCQFBG-XHSDSOJGSA-N 1 3 354.441 3.649 20 0 FHADHO CCN1CCN(c2ccccc2C[NH2+]CCc2ccc3[nH]ccc3c2)CC1 ZINC000441218361 946308982 /nfs/dbraw/zinc/30/89/82/946308982.db2.gz RWURKUIBOPHRFW-UHFFFAOYSA-N 1 3 362.521 3.642 20 0 FHADHO Cc1cc(Cl)cc(C[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)c1 ZINC000520258789 946311871 /nfs/dbraw/zinc/31/18/71/946311871.db2.gz FNXBLECERJMJGV-UHFFFAOYSA-N 1 3 357.929 3.686 20 0 FHADHO CC(C)C[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)N(C)C)c1cccs1 ZINC000475129137 946434489 /nfs/dbraw/zinc/43/44/89/946434489.db2.gz LMULYIZOWSVLGC-OALUTQOASA-N 1 3 373.566 3.844 20 0 FHADHO CSc1cc(Br)ccc1CN1CCC2(C1)CC[NH2+]CC2 ZINC000262079542 946437260 /nfs/dbraw/zinc/43/72/60/946437260.db2.gz SWFVLKMNIMCYFP-UHFFFAOYSA-N 1 3 355.345 3.747 20 0 FHADHO C[NH+](C)[C@@H](CNC(=O)CNC(C)(C)c1cccc(Cl)c1)c1ccccc1 ZINC000475155150 946499254 /nfs/dbraw/zinc/49/92/54/946499254.db2.gz MHIDOXCWCOENOF-IBGZPJMESA-N 1 3 373.928 3.584 20 0 FHADHO CCC(=O)N(C)C1CCN(C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001168057377 946562004 /nfs/dbraw/zinc/56/20/04/946562004.db2.gz MQZHPOMRHMQTRH-RTBURBONSA-N 1 3 371.569 3.761 20 0 FHADHO CCn1nc(CN2CCC(CCC[N@H+](C)CCOC)CC2)c2ccccc21 ZINC000473145663 946651356 /nfs/dbraw/zinc/65/13/56/946651356.db2.gz QUOGVSXMIYOTKG-UHFFFAOYSA-N 1 3 372.557 3.627 20 0 FHADHO CCn1nc(CN2CCC(CCC[N@@H+](C)CCOC)CC2)c2ccccc21 ZINC000473145663 946651361 /nfs/dbraw/zinc/65/13/61/946651361.db2.gz QUOGVSXMIYOTKG-UHFFFAOYSA-N 1 3 372.557 3.627 20 0 FHADHO Cc1nn(C(C)(C)C)c(C)c1C[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475279020 946800934 /nfs/dbraw/zinc/80/09/34/946800934.db2.gz IXKMPZFKPRCEQF-FQEVSTJZSA-N 1 3 354.542 3.867 20 0 FHADHO C[C@H](c1ccc(Br)cc1)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348393 946892868 /nfs/dbraw/zinc/89/28/68/946892868.db2.gz BVINLWAXGZSNSM-SIUPPRGNSA-N 1 3 367.331 3.728 20 0 FHADHO CC(C)Oc1ccc([C@@H](C)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000182270723 946894231 /nfs/dbraw/zinc/89/42/31/946894231.db2.gz WUDJJKGJOSRKLO-GCJKJVERSA-N 1 3 368.521 3.891 20 0 FHADHO CC(C)Oc1ccc([C@@H](C)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1 ZINC000182270723 946894239 /nfs/dbraw/zinc/89/42/39/946894239.db2.gz WUDJJKGJOSRKLO-GCJKJVERSA-N 1 3 368.521 3.891 20 0 FHADHO Cc1ccccc1-c1noc([C@H](C)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000647976242 946909091 /nfs/dbraw/zinc/90/90/91/946909091.db2.gz LYTBHLWLANSRLV-KSZLIROESA-N 1 3 354.498 3.818 20 0 FHADHO C[C@@H]1CC(N2CC[C@@]3(C2)CC(F)(F)CO3)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168061727 946929940 /nfs/dbraw/zinc/92/99/40/946929940.db2.gz JCINGIRNVRELJD-HLIPFELVSA-N 1 3 364.480 3.928 20 0 FHADHO CCOC(=O)[C@@H]1CCCN(C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001168063833 947036626 /nfs/dbraw/zinc/03/66/26/947036626.db2.gz NNUWMWFMYULJDB-QWFCFKBJSA-N 1 3 358.526 3.703 20 0 FHADHO O=C(c1ccc(F)cc1)[C@@H]1CCCN(Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662256643 947675601 /nfs/dbraw/zinc/67/56/01/947675601.db2.gz MOKORSSJZSTFFN-LJQANCHMSA-N 1 3 352.453 3.566 20 0 FHADHO Cc1c(Cl)cccc1NC(=O)[C@H](C)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662297826 947719845 /nfs/dbraw/zinc/71/98/45/947719845.db2.gz SIDPVTWAWVAJTD-RDJZCZTQSA-N 1 3 363.933 3.687 20 0 FHADHO Cc1cc(C)c(NC(=O)[C@@H](C)N2CCC[C@@H](C3CC[NH2+]CC3)C2)c(C)c1 ZINC000662295798 947722973 /nfs/dbraw/zinc/72/29/73/947722973.db2.gz UMPUJROHPVGDMA-UYAOXDASSA-N 1 3 357.542 3.650 20 0 FHADHO C[C@@H]([NH2+]C1(CNC(=O)c2cccc3c2CNC3)CCCC1)c1ccccc1 ZINC000662452735 947823747 /nfs/dbraw/zinc/82/37/47/947823747.db2.gz WHSPNSQOOMKAAK-QGZVFWFLSA-N 1 3 363.505 3.683 20 0 FHADHO CCCC(=O)NC1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000662466364 947836263 /nfs/dbraw/zinc/83/62/63/947836263.db2.gz VSRRARHYDMEWJR-UHFFFAOYSA-N 1 3 357.542 3.553 20 0 FHADHO C[C@H](CC(=O)Nc1cccc(Cl)c1)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663469280 948062001 /nfs/dbraw/zinc/06/20/01/948062001.db2.gz PMCAOHIRVSFWFP-NVXWUHKLSA-N 1 3 363.933 3.769 20 0 FHADHO C[C@H](CC(=O)Nc1cccc(Cl)c1)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663469280 948062008 /nfs/dbraw/zinc/06/20/08/948062008.db2.gz PMCAOHIRVSFWFP-NVXWUHKLSA-N 1 3 363.933 3.769 20 0 FHADHO C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663469280 948062015 /nfs/dbraw/zinc/06/20/15/948062015.db2.gz PMCAOHIRVSFWFP-NVXWUHKLSA-N 1 3 363.933 3.769 20 0 FHADHO CC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1[C@H](C)CCC[NH+](CC)CC ZINC001167824723 948112824 /nfs/dbraw/zinc/11/28/24/948112824.db2.gz FYNACJUCYUTTLM-QZTJIDSGSA-N 1 3 355.567 3.828 20 0 FHADHO CC[NH+](CC)CCC[C@H](C)N1CCn2c(CN(C)C(C)C)cnc2[C@@H]1C ZINC001167825127 948117706 /nfs/dbraw/zinc/11/77/06/948117706.db2.gz REEUMSFYJNSTEP-OALUTQOASA-N 1 3 363.594 3.610 20 0 FHADHO C[C@@H](N)C[NH2+][C@@H]1CCCc2c(Br)cc(Br)cc21 ZINC000643528008 948180436 /nfs/dbraw/zinc/18/04/36/948180436.db2.gz XIPXWDSVIXPTIJ-AMIZOPFISA-N 1 3 362.109 3.526 20 0 FHADHO COc1cccc(OC)c1C[NH2+]C[C@@H]1CCCN(Cc2cccs2)C1 ZINC000512099243 948420979 /nfs/dbraw/zinc/42/09/79/948420979.db2.gz LGVYZAZAHDKFOK-INIZCTEOSA-N 1 3 360.523 3.767 20 0 FHADHO C[C@H]1CC(NCCNC(=O)OC(C)(C)C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168005984 948549113 /nfs/dbraw/zinc/54/91/13/948549113.db2.gz LXYCOMUPURKJJA-IRXDYDNUSA-N 1 3 361.530 3.542 20 0 FHADHO C[C@H]1C[NH+](CC2CCN(Cc3cc4cc(F)ccc4o3)CC2)C[C@H](C)O1 ZINC000512182834 948710679 /nfs/dbraw/zinc/71/06/79/948710679.db2.gz SYNAHFROFROEBM-HOTGVXAUSA-N 1 3 360.473 3.893 20 0 FHADHO COc1ccccc1/C=C/CN1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000512187488 948737038 /nfs/dbraw/zinc/73/70/38/948737038.db2.gz QEGILXJCQOMDEQ-HZJMMZBYSA-N 1 3 358.526 3.530 20 0 FHADHO CC(=O)Nc1ccccc1C[NH2+]C[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000311887056 568178004 /nfs/dbraw/zinc/17/80/04/568178004.db2.gz COQZWCCHRIDGDO-JOCHJYFZSA-N 1 3 351.494 3.647 20 0 FHADHO Cc1cccc([C@@H]2CCCCCN2CC(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000522783931 568186880 /nfs/dbraw/zinc/18/68/80/568186880.db2.gz JDBMBRPGOMNTMK-QFIPXVFZSA-N 1 3 371.569 3.901 20 0 FHADHO COc1ccc(-c2nc(CN3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cs2)cc1 ZINC000563135862 568274521 /nfs/dbraw/zinc/27/45/21/568274521.db2.gz VLNCUCRQCLVIJF-DLBZAZTESA-N 1 3 357.523 3.640 20 0 FHADHO CN1CC[C@@]2(CC[N@H+](Cc3cccc(OCc4ccc(F)cc4)c3)C2)C1 ZINC000430146006 927309109 /nfs/dbraw/zinc/30/91/09/927309109.db2.gz HUIAVBFKLHNRIV-JOCHJYFZSA-N 1 3 354.469 3.932 20 0 FHADHO CN1CC[C@@]2(CC[N@@H+](Cc3cccc(OCc4ccc(F)cc4)c3)C2)C1 ZINC000430146006 927309127 /nfs/dbraw/zinc/30/91/27/927309127.db2.gz HUIAVBFKLHNRIV-JOCHJYFZSA-N 1 3 354.469 3.932 20 0 FHADHO C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643547179 927458996 /nfs/dbraw/zinc/45/89/96/927458996.db2.gz AQQZJAFYNLQNNA-IUODEOHRSA-N 1 3 355.295 3.784 20 0 FHADHO C[C@H](Cc1ccc(F)cc1Br)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643547179 927459002 /nfs/dbraw/zinc/45/90/02/927459002.db2.gz AQQZJAFYNLQNNA-IUODEOHRSA-N 1 3 355.295 3.784 20 0 FHADHO NCc1cn([C@H]2CCC[N@H+](Cc3ccc(C4CCCCC4)cc3)C2)nn1 ZINC000579818115 927968520 /nfs/dbraw/zinc/96/85/20/927968520.db2.gz LUYBLBZPODQNQD-NRFANRHFSA-N 1 3 353.514 3.622 20 0 FHADHO NCc1cn([C@H]2CCC[N@@H+](Cc3ccc(C4CCCCC4)cc3)C2)nn1 ZINC000579818115 927968529 /nfs/dbraw/zinc/96/85/29/927968529.db2.gz LUYBLBZPODQNQD-NRFANRHFSA-N 1 3 353.514 3.622 20 0 FHADHO CCN(C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)c1cc(C)cc(C)c1 ZINC000579849869 928521198 /nfs/dbraw/zinc/52/11/98/928521198.db2.gz FKDLNRTUHGTXGN-UHFFFAOYSA-N 1 3 371.569 3.853 20 0 FHADHO COCCCN1CCC([NH2+][C@@H](c2ccccc2)c2ccc(OC)cc2)CC1 ZINC000180402769 929495997 /nfs/dbraw/zinc/49/59/97/929495997.db2.gz RILOBMQRFIUVJL-QHCPKHFHSA-N 1 3 368.521 3.875 20 0 FHADHO CC(C)(C)OC1CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000092454409 937335327 /nfs/dbraw/zinc/33/53/27/937335327.db2.gz OLGNJGGDJHOOKL-UHFFFAOYSA-N 1 3 360.542 3.941 20 0 FHADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@@H]2CCO[C@H](c3ccncc3)C2)CC1 ZINC000651966309 929725116 /nfs/dbraw/zinc/72/51/16/929725116.db2.gz CGQJGOFATHOCLU-CIQXWFTPSA-N 1 3 357.542 3.934 20 0 FHADHO CCc1ccc([C@H](CO)N[C@@H](C)c2cccc(OCC[NH+](C)C)c2)cc1 ZINC000090844219 929995233 /nfs/dbraw/zinc/99/52/33/929995233.db2.gz PBSYWDRGKHNLES-JTSKRJEESA-N 1 3 356.510 3.574 20 0 FHADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)c3cccc(C(C)C)c3)CC2)CC1 ZINC000580580077 930875411 /nfs/dbraw/zinc/87/54/11/930875411.db2.gz CJYDFMZKZCSVDW-UHFFFAOYSA-N 1 3 371.569 3.969 20 0 FHADHO C[C@@H](NCc1ccc(-n2cccn2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000312993999 931235178 /nfs/dbraw/zinc/23/51/78/931235178.db2.gz MONGDEBTTKTVFE-KNQAVFIVSA-N 1 3 360.505 3.873 20 0 FHADHO C[C@@H](NCc1ccc(-n2cccn2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000312993999 931235186 /nfs/dbraw/zinc/23/51/86/931235186.db2.gz MONGDEBTTKTVFE-KNQAVFIVSA-N 1 3 360.505 3.873 20 0 FHADHO C[C@@H]([NH2+]Cc1ccc(-n2cccn2)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000312993999 931235192 /nfs/dbraw/zinc/23/51/92/931235192.db2.gz MONGDEBTTKTVFE-KNQAVFIVSA-N 1 3 360.505 3.873 20 0 FHADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C[C@H](N)c2ccccc2)CC1 ZINC000580895045 931309653 /nfs/dbraw/zinc/30/96/53/931309653.db2.gz PGDMEQATRLRSIZ-NQIIRXRSSA-N 1 3 357.542 3.580 20 0 FHADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)C[C@H](N)c2ccccc2)CC1 ZINC000580895045 931309662 /nfs/dbraw/zinc/30/96/62/931309662.db2.gz PGDMEQATRLRSIZ-NQIIRXRSSA-N 1 3 357.542 3.580 20 0 FHADHO [NH3+]Cc1ccc(CN[C@H]2CCCOc3cc(Br)ccc32)cc1 ZINC000581132917 931604482 /nfs/dbraw/zinc/60/44/82/931604482.db2.gz RRNLVFRTWNCTSB-KRWDZBQOSA-N 1 3 361.283 3.911 20 0 FHADHO CC[NH2+]CC1CCN([C@@H](C)C(=O)N[C@H](C)c2cccc3ccccc32)CC1 ZINC000430583278 931957440 /nfs/dbraw/zinc/95/74/40/931957440.db2.gz XJMGZMULRUZDDW-MSOLQXFVSA-N 1 3 367.537 3.727 20 0 FHADHO C[C@](C[NH3+])(NCCC(=O)Nc1ccccc1Oc1ccccc1)C1CC1 ZINC000430588802 931969290 /nfs/dbraw/zinc/96/92/90/931969290.db2.gz GASYTGFSFRYONO-OAQYLSRUSA-N 1 3 353.466 3.525 20 0 FHADHO C[C@@H]1[C@@H](C(F)(F)F)CCN1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000684411342 932588267 /nfs/dbraw/zinc/58/82/67/932588267.db2.gz KECLYCQEFZIMSS-QAPCUYQASA-N 1 3 356.432 3.934 20 0 FHADHO CCC[NH+]1CCC(N(C)CCC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000083171284 932894384 /nfs/dbraw/zinc/89/43/84/932894384.db2.gz PDMWVJGSWIPMRF-UHFFFAOYSA-N 1 3 371.447 3.840 20 0 FHADHO COc1cccc([C@@H](C)[NH+]2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000430711496 933165925 /nfs/dbraw/zinc/16/59/25/933165925.db2.gz WYQOFQYHQIOUBM-CEXWTWQISA-N 1 3 360.542 3.968 20 0 FHADHO COc1cccc([C@H](C)[NH+]2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000430711498 933165937 /nfs/dbraw/zinc/16/59/37/933165937.db2.gz WYQOFQYHQIOUBM-OTWHNJEPSA-N 1 3 360.542 3.968 20 0 FHADHO C[C@@H]1CN(CC2CC[NH+](CCSCc3ccccc3)CC2)C[C@@H](C)O1 ZINC000430755738 933208829 /nfs/dbraw/zinc/20/88/29/933208829.db2.gz RNKWNAKPRHKDCW-RTBURBONSA-N 1 3 362.583 3.741 20 0 FHADHO C[C@H]([NH3+])C1CCN([C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000430924037 933421697 /nfs/dbraw/zinc/42/16/97/933421697.db2.gz HOMAWKLVYNIDPZ-AVGNSLFASA-N 1 3 372.340 3.618 20 0 FHADHO Brc1cc2cccnc2c(CN2CCC3(CC[NH2+]C3)CC2)c1 ZINC000431042972 933739709 /nfs/dbraw/zinc/73/97/09/933739709.db2.gz NFGVUTJUBDVFAB-UHFFFAOYSA-N 1 3 360.299 3.573 20 0 FHADHO CC1CC[NH+](Cc2ccc(CNC(=O)C[C@H](N)c3ccccc3)cc2)CC1 ZINC000236634126 934756008 /nfs/dbraw/zinc/75/60/08/934756008.db2.gz IDEJKLSVRQYHPE-QFIPXVFZSA-N 1 3 365.521 3.625 20 0 FHADHO C[N@H+](CCOc1cccc(CNCc2cccc(F)c2)c1)C1CCOCC1 ZINC000102781538 934892751 /nfs/dbraw/zinc/89/27/51/934892751.db2.gz VLLKLTQZPGABSH-UHFFFAOYSA-N 1 3 372.484 3.605 20 0 FHADHO C[N@@H+](CCOc1cccc(CNCc2cccc(F)c2)c1)C1CCOCC1 ZINC000102781538 934892757 /nfs/dbraw/zinc/89/27/57/934892757.db2.gz VLLKLTQZPGABSH-UHFFFAOYSA-N 1 3 372.484 3.605 20 0 FHADHO CC(C)=CCC[C@H](C)[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000537970684 935072644 /nfs/dbraw/zinc/07/26/44/935072644.db2.gz HJQSDFUFWJGKGI-IBGZPJMESA-N 1 3 357.542 3.737 20 0 FHADHO C[NH+](C)Cc1cc(CNCc2cc(F)ccc2OC(F)F)ccc1F ZINC000657364491 935385349 /nfs/dbraw/zinc/38/53/49/935385349.db2.gz WLVOPGIOGPNPCC-UHFFFAOYSA-N 1 3 356.363 3.918 20 0 FHADHO Cc1ccc2cc(CNCc3ccccc3C[NH+]3CCC(O)CC3)[nH]c2c1 ZINC000657389021 935504471 /nfs/dbraw/zinc/50/44/71/935504471.db2.gz IPDICNKCABZIIH-UHFFFAOYSA-N 1 3 363.505 3.723 20 0 FHADHO CC[N@H+](Cc1ccc(C(=O)N[C@@H](CN(C)C)c2ccccc2)cc1)C1CC1 ZINC000511149767 935801665 /nfs/dbraw/zinc/80/16/65/935801665.db2.gz DQICNYIXNJKGCV-QFIPXVFZSA-N 1 3 365.521 3.704 20 0 FHADHO CC[N@@H+](Cc1ccc(C(=O)N[C@@H](CN(C)C)c2ccccc2)cc1)C1CC1 ZINC000511149767 935801668 /nfs/dbraw/zinc/80/16/68/935801668.db2.gz DQICNYIXNJKGCV-QFIPXVFZSA-N 1 3 365.521 3.704 20 0 FHADHO COCc1cccc(OCC2(CN(C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)CCC2)c1 ZINC000262140236 935900244 /nfs/dbraw/zinc/90/02/44/935900244.db2.gz PNZIGHDWGHFTPZ-YOFSQIOKSA-N 1 3 358.526 3.597 20 0 FHADHO COc1cccc(OC)c1C[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000657587644 936066940 /nfs/dbraw/zinc/06/69/40/936066940.db2.gz ZDARINVSBPLYME-IBGZPJMESA-N 1 3 366.505 3.991 20 0 FHADHO Fc1ccc2nc(C[NH2+]CC3CCN(Cc4ccncc4)CC3)sc2c1 ZINC000657613985 936100074 /nfs/dbraw/zinc/10/00/74/936100074.db2.gz ZYGXLMJHJFVFPL-UHFFFAOYSA-N 1 3 370.497 3.832 20 0 FHADHO Cc1cc(Br)c(CN2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)s1 ZINC000650708775 938291423 /nfs/dbraw/zinc/29/14/23/938291423.db2.gz MDIKRDUZWPNUKB-GZBFAFLISA-N 1 3 373.360 3.537 20 0 FHADHO Cc1ccc(NC(=O)C[C@@H](C)NCc2ccc(C[NH3+])cc2F)cc1Cl ZINC000650717759 938304658 /nfs/dbraw/zinc/30/46/58/938304658.db2.gz LQJHABVJSGJOOG-CYBMUJFWSA-N 1 3 363.864 3.753 20 0 FHADHO Cc1ccc(-c2ncc(CN3CCCC[C@@H]3[C@H]3C[C@H]([NH3+])CCO3)s2)cc1 ZINC000650723507 938310790 /nfs/dbraw/zinc/31/07/90/938310790.db2.gz PKYMAFWAPGPWPN-MISYRCLQSA-N 1 3 371.550 3.979 20 0 FHADHO C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+]C[C@@H](O)CN1CCC(C)CC1 ZINC000583656224 938341367 /nfs/dbraw/zinc/34/13/67/938341367.db2.gz LZJTYYLEWDLRAE-NXIIHZOPSA-N 1 3 370.459 3.791 20 0 FHADHO C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+]C[C@@H](O)CN1CCC(C)CC1 ZINC000583656225 938341467 /nfs/dbraw/zinc/34/14/67/938341467.db2.gz LZJTYYLEWDLRAE-OUQXZNHLSA-N 1 3 370.459 3.791 20 0 FHADHO Brc1cc2cccnc2c(CN2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000583756349 938391898 /nfs/dbraw/zinc/39/18/98/938391898.db2.gz ZXDDPEGFDOMNLR-GOSISDBHSA-N 1 3 374.326 3.961 20 0 FHADHO [NH3+]Cc1ccc(CN[C@@H](Cc2ccccc2Cl)[C@@H]2CCCO2)c(F)c1 ZINC000650756306 938414169 /nfs/dbraw/zinc/41/41/69/938414169.db2.gz ZDDHLDDASFAYLF-PMACEKPBSA-N 1 3 362.876 3.818 20 0 FHADHO COc1ccc(CNCC2CC[NH+](CC3CC3)CC2)c(Cl)c1OC ZINC000657813233 938525670 /nfs/dbraw/zinc/52/56/70/938525670.db2.gz LCOYWECIEZRPNV-UHFFFAOYSA-N 1 3 352.906 3.569 20 0 FHADHO CC(C)N1CCC([N@H+](C)C[C@@H](O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC000507362792 945182550 /nfs/dbraw/zinc/18/25/50/945182550.db2.gz ROAGOFPCBUQMGC-HXUWFJFHSA-N 1 3 362.558 3.528 20 0 FHADHO CC(C)N1CCC([N@@H+](C)C[C@@H](O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC000507362792 945182561 /nfs/dbraw/zinc/18/25/61/945182561.db2.gz ROAGOFPCBUQMGC-HXUWFJFHSA-N 1 3 362.558 3.528 20 0 FHADHO C[C@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(Br)s1 ZINC000132836102 938543936 /nfs/dbraw/zinc/54/39/36/938543936.db2.gz LFRUDTRAQMMISZ-STQMWFEESA-N 1 3 373.360 3.662 20 0 FHADHO CN(c1ccccc1CNCc1cc2ccccc2[nH]1)C1CC[NH+](C)CC1 ZINC000133456375 938578813 /nfs/dbraw/zinc/57/88/13/938578813.db2.gz OHSYBIRXEGQDEI-UHFFFAOYSA-N 1 3 362.521 3.988 20 0 FHADHO C[C@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)C(C)(C)C(F)F ZINC000657841346 938701955 /nfs/dbraw/zinc/70/19/55/938701955.db2.gz PEQWLBFZAFSQMJ-SFHVURJKSA-N 1 3 367.528 3.854 20 0 FHADHO CCc1ccc([C@@H](CO)N[C@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000090844184 938883346 /nfs/dbraw/zinc/88/33/46/938883346.db2.gz BTYAYRZYQMZZQK-VGOFRKELSA-N 1 3 356.510 3.574 20 0 FHADHO Cc1cc2cc(CN(C)[C@@H]3CC[N@@H+](C4CCN(C)CC4)C3)oc2cc1C ZINC000685458012 938988026 /nfs/dbraw/zinc/98/80/26/938988026.db2.gz XIIRRWOZZQKDTF-HXUWFJFHSA-N 1 3 355.526 3.650 20 0 FHADHO Cc1cc2cc(CN(C)[C@@H]3CC[N@H+](C4CCN(C)CC4)C3)oc2cc1C ZINC000685458012 938988027 /nfs/dbraw/zinc/98/80/27/938988027.db2.gz XIIRRWOZZQKDTF-HXUWFJFHSA-N 1 3 355.526 3.650 20 0 FHADHO C[C@@H](NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccc(Cl)c(F)c1 ZINC000658138011 939040404 /nfs/dbraw/zinc/04/04/04/939040404.db2.gz LSLSBGPWLLPOBD-RDTXWAMCSA-N 1 3 362.876 3.897 20 0 FHADHO C[C@@H](NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc(Cl)c(F)c1 ZINC000658138011 939040410 /nfs/dbraw/zinc/04/04/10/939040410.db2.gz LSLSBGPWLLPOBD-RDTXWAMCSA-N 1 3 362.876 3.897 20 0 FHADHO Clc1ccc2c(c1)C[C@@H]([NH2+]CC1CCN(Cc3ccncc3)CC1)C2 ZINC000658167998 939054123 /nfs/dbraw/zinc/05/41/23/939054123.db2.gz UYNHEUOIJDTNJJ-NRFANRHFSA-N 1 3 355.913 3.704 20 0 FHADHO COc1ccc(CC[C@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1 ZINC000658168357 939055605 /nfs/dbraw/zinc/05/56/05/939055605.db2.gz WHIXGSHRESEKQC-IBGZPJMESA-N 1 3 367.537 3.913 20 0 FHADHO C[C@H](c1ccccc1)[C@H](O)CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000658338596 939117240 /nfs/dbraw/zinc/11/72/40/939117240.db2.gz FQIWGUBGVYPRPK-REXJZNOJSA-N 1 3 364.533 3.936 20 0 FHADHO C[C@H](c1ccccc1)[C@H](O)CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000658338596 939117243 /nfs/dbraw/zinc/11/72/43/939117243.db2.gz FQIWGUBGVYPRPK-REXJZNOJSA-N 1 3 364.533 3.936 20 0 FHADHO CCn1c2ccccc2c2cc(CNCCC[N@H+](C)CCOC)ccc21 ZINC000518265464 945269971 /nfs/dbraw/zinc/26/99/71/945269971.db2.gz YLEWBEXGZBGDJP-UHFFFAOYSA-N 1 3 353.510 3.872 20 0 FHADHO CCn1c2ccccc2c2cc(CNCCC[N@@H+](C)CCOC)ccc21 ZINC000518265464 945269981 /nfs/dbraw/zinc/26/99/81/945269981.db2.gz YLEWBEXGZBGDJP-UHFFFAOYSA-N 1 3 353.510 3.872 20 0 FHADHO C[C@]12CC3(O)CC([NH2+]C4C[C@H]5CC[C@@H](C4)N5CC4CC4)(C1)C[C@@](C)(C3)C2 ZINC001167966285 945311132 /nfs/dbraw/zinc/31/11/32/945311132.db2.gz SSHYLBOEKBAABP-SDFAFODESA-N 1 3 358.570 3.845 20 0 FHADHO [NH3+]CCCOC1CCN(Cc2ccc(OCc3cccc(F)c3)cc2)CC1 ZINC000647506614 940698748 /nfs/dbraw/zinc/69/87/48/940698748.db2.gz WEPXGPNRZNVLJS-UHFFFAOYSA-N 1 3 372.484 3.735 20 0 FHADHO CC(C)N1CCC([NH2+][C@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000174295997 940718445 /nfs/dbraw/zinc/71/84/45/940718445.db2.gz MITOHHHXWIPYAN-QZTJIDSGSA-N 1 3 371.569 3.594 20 0 FHADHO C[C@H](NCC[C@H]1CCC[N@H+](C)C1)c1ccccc1I ZINC000414184868 940726536 /nfs/dbraw/zinc/72/65/36/940726536.db2.gz OOZLWACMNMDXKO-UONOGXRCSA-N 1 3 372.294 3.674 20 0 FHADHO C[C@H](NCC[C@H]1CCC[N@@H+](C)C1)c1ccccc1I ZINC000414184868 940726539 /nfs/dbraw/zinc/72/65/39/940726539.db2.gz OOZLWACMNMDXKO-UONOGXRCSA-N 1 3 372.294 3.674 20 0 FHADHO CCn1cc([C@@H]2OCC[C@H]2CNC2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)cn1 ZINC000414240714 940821287 /nfs/dbraw/zinc/82/12/87/940821287.db2.gz FBRCUJGMXIQUMG-YHDSQAASSA-N 1 3 374.573 3.613 20 0 FHADHO CC1(C)Cc2occc2[C@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC000414313525 940946337 /nfs/dbraw/zinc/94/63/37/940946337.db2.gz YIESWDLKRNHELS-HXUWFJFHSA-N 1 3 368.521 3.910 20 0 FHADHO Cc1ccc(-c2noc(CCC[N@H+]3CCC[C@]4(CCN(C)C4)C3)n2)cc1F ZINC000660659738 945363927 /nfs/dbraw/zinc/36/39/27/945363927.db2.gz QJZNWDKVSSXGQL-OAQYLSRUSA-N 1 3 372.488 3.534 20 0 FHADHO Cc1ccc(-c2noc(CCC[N@@H+]3CCC[C@]4(CCN(C)C4)C3)n2)cc1F ZINC000660659738 945363939 /nfs/dbraw/zinc/36/39/39/945363939.db2.gz QJZNWDKVSSXGQL-OAQYLSRUSA-N 1 3 372.488 3.534 20 0 FHADHO COc1c(Br)cccc1CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543297 941065304 /nfs/dbraw/zinc/06/53/04/941065304.db2.gz KTRHZBWMBBDBKH-CABCVRRESA-N 1 3 367.331 3.669 20 0 FHADHO COc1ccc(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1Br ZINC000647544014 941065797 /nfs/dbraw/zinc/06/57/97/941065797.db2.gz VOOQMCSRTQRRIG-HOTGVXAUSA-N 1 3 367.331 3.669 20 0 FHADHO CC[NH+](CC)CCOc1ccccc1NC(=O)C[C@H]1NCc2ccccc21 ZINC000659288314 941149837 /nfs/dbraw/zinc/14/98/37/941149837.db2.gz FPHMCFONCHZEOO-HXUWFJFHSA-N 1 3 367.493 3.580 20 0 FHADHO Cn1cc(C[NH2+]C[C@@]2(C)CCN(Cc3ccccc3)C2)c(C(C)(C)C)n1 ZINC000311429614 941288859 /nfs/dbraw/zinc/28/88/59/941288859.db2.gz GSABDXLCSRPKIS-JOCHJYFZSA-N 1 3 354.542 3.719 20 0 FHADHO [NH3+][C@@H]1CCC[C@H](CNCc2csc(COc3ccc(Cl)cc3)n2)C1 ZINC000415013611 941546731 /nfs/dbraw/zinc/54/67/31/941546731.db2.gz YOEKOVRYASSXRE-DZGCQCFKSA-N 1 3 365.930 3.983 20 0 FHADHO [NH3+]CCC[C@H](NCc1cnn(Cc2ccc(F)cc2)c1)c1ccccc1 ZINC000415061918 941580246 /nfs/dbraw/zinc/58/02/46/941580246.db2.gz ZEDUBROQYMALNG-NRFANRHFSA-N 1 3 352.457 3.640 20 0 FHADHO Cc1ccc([C@H](CNC(=O)CCCC[NH+]2CCCC2)N2CCCC2)cc1 ZINC000729349981 941727461 /nfs/dbraw/zinc/72/74/61/941727461.db2.gz BQLNETYIDCMXKC-NRFANRHFSA-N 1 3 357.542 3.514 20 0 FHADHO CC[C@@H](CN[C@H](C)CC(=O)Nc1ccccc1C(F)(F)F)[NH+]1CCCC1 ZINC000119286304 941876437 /nfs/dbraw/zinc/87/64/37/941876437.db2.gz FXENBHDYOHXGLV-CABCVRRESA-N 1 3 371.447 3.887 20 0 FHADHO C[N@H+](CCN1CCN(C[C@H]2C[C@H]2c2ccccc2)CC1)Cc1ccccc1 ZINC000513448172 941935805 /nfs/dbraw/zinc/93/58/05/941935805.db2.gz RVPHMQDTJPCSFV-RPWUZVMVSA-N 1 3 363.549 3.540 20 0 FHADHO C[N@@H+](CCN1CCN(C[C@H]2C[C@H]2c2ccccc2)CC1)Cc1ccccc1 ZINC000513448172 941935812 /nfs/dbraw/zinc/93/58/12/941935812.db2.gz RVPHMQDTJPCSFV-RPWUZVMVSA-N 1 3 363.549 3.540 20 0 FHADHO C[C@@H]1C[C@H]([NH2+]C[C@@H](c2cccs2)N(C)C)CCN1Cc1ccccc1 ZINC000513481381 941957523 /nfs/dbraw/zinc/95/75/23/941957523.db2.gz BCIHSCRASKFCQH-RLLQIKCJSA-N 1 3 357.567 3.994 20 0 FHADHO C[C@@H]1C[C@H](NC[C@@H](c2cccs2)N(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000513481381 941957525 /nfs/dbraw/zinc/95/75/25/941957525.db2.gz BCIHSCRASKFCQH-RLLQIKCJSA-N 1 3 357.567 3.994 20 0 FHADHO C[C@@H]1C[C@H](NC[C@@H](c2cccs2)N(C)C)CC[N@H+]1Cc1ccccc1 ZINC000513481381 941957526 /nfs/dbraw/zinc/95/75/26/941957526.db2.gz BCIHSCRASKFCQH-RLLQIKCJSA-N 1 3 357.567 3.994 20 0 FHADHO C[NH2+]Cc1cccc(NC(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)c1 ZINC000415916656 942142444 /nfs/dbraw/zinc/14/24/44/942142444.db2.gz HWSXWZLDTFNTQI-GOSISDBHSA-N 1 3 366.509 3.534 20 0 FHADHO CC[NH2+]Cc1cccc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)c1 ZINC000415931338 942166688 /nfs/dbraw/zinc/16/66/88/942166688.db2.gz KTGYNOMTTQRZQE-LAUBAEHRSA-N 1 3 366.509 3.581 20 0 FHADHO CC[NH2+]Cc1ccccc1NC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000415954718 942197227 /nfs/dbraw/zinc/19/72/27/942197227.db2.gz MPHSITYPFIVVFE-UHFFFAOYSA-N 1 3 358.530 3.526 20 0 FHADHO c1[nH]nc2c1CC[C@H]([NH2+][C@H]1CCCC[C@H]3CN(Cc4ccccc4)C[C@H]31)C2 ZINC000513697678 942204176 /nfs/dbraw/zinc/20/41/76/942204176.db2.gz QNEGVVZQRGFQNF-KJJMTIBFSA-N 1 3 364.537 3.547 20 0 FHADHO Oc1ccc2c(c1)[C@H](NCc1ccc(C[NH+]3CCC(O)CC3)cc1)CCC2 ZINC000280721282 942235093 /nfs/dbraw/zinc/23/50/93/942235093.db2.gz CEIAIDTWHZUVFV-HSZRJFAPSA-N 1 3 366.505 3.516 20 0 FHADHO CC[N@H+](CCC1CCN(C(=O)Nc2ccc3c(c2)CNC3)CC1)CC1CC1 ZINC000416014317 942261807 /nfs/dbraw/zinc/26/18/07/942261807.db2.gz SFVOJSBLDHZBIV-UHFFFAOYSA-N 1 3 370.541 3.656 20 0 FHADHO CC[N@@H+](CCC1CCN(C(=O)Nc2ccc3c(c2)CNC3)CC1)CC1CC1 ZINC000416014317 942261810 /nfs/dbraw/zinc/26/18/10/942261810.db2.gz SFVOJSBLDHZBIV-UHFFFAOYSA-N 1 3 370.541 3.656 20 0 FHADHO CCN1CCC([N@@H+]2CCCN(CCCOc3c(C)cccc3C)CC2)CC1 ZINC000420979882 942289270 /nfs/dbraw/zinc/28/92/70/942289270.db2.gz KWTJJPDOKWDGHF-UHFFFAOYSA-N 1 3 373.585 3.564 20 0 FHADHO CCN1CCC([N@H+]2CCCN(CCCOc3c(C)cccc3C)CC2)CC1 ZINC000420979882 942289274 /nfs/dbraw/zinc/28/92/74/942289274.db2.gz KWTJJPDOKWDGHF-UHFFFAOYSA-N 1 3 373.585 3.564 20 0 FHADHO CCN1CCC([N@@H+]2CCCN(CCCOc3cc(C)ccc3C)CC2)CC1 ZINC000421012822 942291675 /nfs/dbraw/zinc/29/16/75/942291675.db2.gz QPVNPVNXECIGIN-UHFFFAOYSA-N 1 3 373.585 3.564 20 0 FHADHO CCN1CCC([N@H+]2CCCN(CCCOc3cc(C)ccc3C)CC2)CC1 ZINC000421012822 942291678 /nfs/dbraw/zinc/29/16/78/942291678.db2.gz QPVNPVNXECIGIN-UHFFFAOYSA-N 1 3 373.585 3.564 20 0 FHADHO C[N@@H+]1CCCC[C@@H]1CN1CCN(C[C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000659908430 942395689 /nfs/dbraw/zinc/39/56/89/942395689.db2.gz FKOVVMZFWNYNRX-YMPZKCBVSA-N 1 3 355.570 3.672 20 0 FHADHO C[N@H+]1CCCC[C@@H]1CN1CCN(C[C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000659908430 942395694 /nfs/dbraw/zinc/39/56/94/942395694.db2.gz FKOVVMZFWNYNRX-YMPZKCBVSA-N 1 3 355.570 3.672 20 0 FHADHO CN(C)Cc1c2ccccc2oc1C(=O)NCCC[NH2+]C1CCCCC1 ZINC000419923656 942447269 /nfs/dbraw/zinc/44/72/69/942447269.db2.gz QHXNCZZCYXGFGG-UHFFFAOYSA-N 1 3 357.498 3.537 20 0 FHADHO CCCC[NH+](CCCC)CCNc1cncc([C@@H]2CN3CCC2CC3)n1 ZINC001167732696 942465174 /nfs/dbraw/zinc/46/51/74/942465174.db2.gz ALOAQDOWSOTNAC-LJQANCHMSA-N 1 3 359.562 3.600 20 0 FHADHO Cn1cc(-c2ccc(CN3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)s2)cn1 ZINC000549406590 942480117 /nfs/dbraw/zinc/48/01/17/942480117.db2.gz FODDIWDAGFNDFS-HNAYVOBHSA-N 1 3 356.539 3.597 20 0 FHADHO Cn1cc(-c2ccc(CN3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)s2)cn1 ZINC000549406590 942480118 /nfs/dbraw/zinc/48/01/18/942480118.db2.gz FODDIWDAGFNDFS-HNAYVOBHSA-N 1 3 356.539 3.597 20 0 FHADHO CCN1CCC([N@@H+]2CCCN(C[C@@H](C)c3cc(F)cc(F)c3)CC2)CC1 ZINC000421375483 942527076 /nfs/dbraw/zinc/52/70/76/942527076.db2.gz PFEDCKLGGATDOK-QGZVFWFLSA-N 1 3 365.512 3.560 20 0 FHADHO CCN1CCC([N@H+]2CCCN(C[C@@H](C)c3cc(F)cc(F)c3)CC2)CC1 ZINC000421375483 942527079 /nfs/dbraw/zinc/52/70/79/942527079.db2.gz PFEDCKLGGATDOK-QGZVFWFLSA-N 1 3 365.512 3.560 20 0 FHADHO COc1ccc(Br)cc1[C@@H]1CCCN1CC[C@@H]1CC[NH2+]C1 ZINC000420299281 942609878 /nfs/dbraw/zinc/60/98/78/942609878.db2.gz IQDRXFVJICJMRT-BBRMVZONSA-N 1 3 353.304 3.594 20 0 FHADHO COc1ccc([C@H](CN)C[N@@H+]2CC[C@@H](CSc3ccccc3)C2)cc1 ZINC000420300428 942610251 /nfs/dbraw/zinc/61/02/51/942610251.db2.gz KJBSOHGPMSBLFV-IEBWSBKVSA-N 1 3 356.535 3.852 20 0 FHADHO COc1ccc([C@H](CN)C[N@H+]2CC[C@@H](CSc3ccccc3)C2)cc1 ZINC000420300428 942610256 /nfs/dbraw/zinc/61/02/56/942610256.db2.gz KJBSOHGPMSBLFV-IEBWSBKVSA-N 1 3 356.535 3.852 20 0 FHADHO COc1ccc([C@H](C[NH3+])CN2CCC[C@H]2c2ccc(OC)cc2OC)cc1 ZINC000420301002 942611118 /nfs/dbraw/zinc/61/11/18/942611118.db2.gz IHPFAQNYCHGSDM-UTKZUKDTSA-N 1 3 370.493 3.592 20 0 FHADHO Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000420308236 942613786 /nfs/dbraw/zinc/61/37/86/942613786.db2.gz NGUUKIRXRKQBJD-OAQYLSRUSA-N 1 3 363.505 3.750 20 0 FHADHO OC1(C[NH2+]Cc2cccc3ccoc32)CCN(Cc2ccccc2)CC1 ZINC000414525298 942630373 /nfs/dbraw/zinc/63/03/73/942630373.db2.gz MBLBIBIELIXIEX-UHFFFAOYSA-N 1 3 350.462 3.550 20 0 FHADHO [NH3+]C[C@H](NCCC(=O)Nc1c(Cl)cccc1Cl)C1CCCCC1 ZINC000420373447 942644428 /nfs/dbraw/zinc/64/44/28/942644428.db2.gz RBLAEMZMHMHOLF-HNNXBMFYSA-N 1 3 358.313 3.819 20 0 FHADHO COc1ccc([C@H](C[NH3+])CN[C@@H](C)c2ccc(OC(F)F)cc2)cc1 ZINC000420378742 942646257 /nfs/dbraw/zinc/64/62/57/942646257.db2.gz UOIZSSNRBSJPGA-XJKSGUPXSA-N 1 3 350.409 3.690 20 0 FHADHO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420406025 942663717 /nfs/dbraw/zinc/66/37/17/942663717.db2.gz NIBKMQDWNKNVFW-HLIPFELVSA-N 1 3 351.494 3.917 20 0 FHADHO CCCC[C@H](CC)C[NH2+][C@@]12CC[C@@](NCCC(=O)N(C)C)(C1)CCC2 ZINC001280074519 942862221 /nfs/dbraw/zinc/86/22/21/942862221.db2.gz GIYCCCQJWIMUIL-TYPHKJRUSA-N 1 3 351.579 3.706 20 0 FHADHO CN1CCC[C@H]1CC[N@H+](CCCO)C(c1ccccc1)c1ccccc1 ZINC000503072209 942956298 /nfs/dbraw/zinc/95/62/98/942956298.db2.gz ATSCMMIBDQVXOV-QFIPXVFZSA-N 1 3 352.522 3.945 20 0 FHADHO CN1CCC[C@H]1CC[N@@H+](CCCO)C(c1ccccc1)c1ccccc1 ZINC000503072209 942956302 /nfs/dbraw/zinc/95/63/02/942956302.db2.gz ATSCMMIBDQVXOV-QFIPXVFZSA-N 1 3 352.522 3.945 20 0 FHADHO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)N[C@H](C[NH3+])C1CCCCC1 ZINC000414854226 942968729 /nfs/dbraw/zinc/96/87/29/942968729.db2.gz URZWZOFVYRETFD-HNAYVOBHSA-N 1 3 365.949 3.574 20 0 FHADHO Cc1nc(COc2ccc(CN3C[C@H](C[NH3+])[C@@H](C)C[C@@H]3C)cc2)cs1 ZINC000422560667 943181601 /nfs/dbraw/zinc/18/16/01/943181601.db2.gz HKKLLIXZAJAYDC-MPGHIAIKSA-N 1 3 359.539 3.836 20 0 FHADHO C[C@@H](O)c1ccc(CNC2CC[NH+](CCc3ccc(F)cc3)CC2)cc1 ZINC000272942752 943248412 /nfs/dbraw/zinc/24/84/12/943248412.db2.gz MLVSXTQYVLGLJT-QGZVFWFLSA-N 1 3 356.485 3.676 20 0 FHADHO C[C@H]([NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1)[C@@H]1CCCCN1 ZINC000422718008 943255947 /nfs/dbraw/zinc/25/59/47/943255947.db2.gz WOQWAVPHVRAUHU-KXBFYZLASA-N 1 3 369.475 3.790 20 0 FHADHO C[C@H](NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422718008 943255954 /nfs/dbraw/zinc/25/59/54/943255954.db2.gz WOQWAVPHVRAUHU-KXBFYZLASA-N 1 3 369.475 3.790 20 0 FHADHO CCN(CC)[C@H](CNC(=O)NCc1ccc([C@H](C)[NH3+])cc1)c1ccsc1 ZINC000417001139 943283370 /nfs/dbraw/zinc/28/33/70/943283370.db2.gz DVMFIJYICKGJSM-HNAYVOBHSA-N 1 3 374.554 3.650 20 0 FHADHO CCN(CC)[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1cccc(OC)c1 ZINC000422797028 943287299 /nfs/dbraw/zinc/28/72/99/943287299.db2.gz KXXUDGAWKWCASB-FNAHDJPLSA-N 1 3 359.558 3.588 20 0 FHADHO COc1ccc(Cl)cc1NC(=O)CCN[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000422830656 943299106 /nfs/dbraw/zinc/29/91/06/943299106.db2.gz WAPMBPLCCAPXQT-HOCLYGCPSA-N 1 3 367.921 3.578 20 0 FHADHO Cc1ccc(-c2nc(CC[NH2+][C@H](C)c3ccc(CN)nc3C)co2)cc1 ZINC000422875691 943313675 /nfs/dbraw/zinc/31/36/75/943313675.db2.gz CUSGLITVJBELCB-OAHLLOKOSA-N 1 3 350.466 3.705 20 0 FHADHO C[C@@H](c1cccs1)[N@@H+](Cc1ccccc1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414700995 943313762 /nfs/dbraw/zinc/31/37/62/943313762.db2.gz JWNQRYVFZSVYJX-HKUYNNGSSA-N 1 3 371.550 3.509 20 0 FHADHO C[C@@H](c1cccs1)[N@H+](Cc1ccccc1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414700995 943313764 /nfs/dbraw/zinc/31/37/64/943313764.db2.gz JWNQRYVFZSVYJX-HKUYNNGSSA-N 1 3 371.550 3.509 20 0 FHADHO Cc1cc(C)n(-c2ccc(CN[C@H]3CCC[C@H]3C[NH3+])c(C(F)(F)F)c2)n1 ZINC000422897993 943324050 /nfs/dbraw/zinc/32/40/50/943324050.db2.gz DEHDQLFRZWJRJU-KSSFIOAISA-N 1 3 366.431 3.725 20 0 FHADHO CCCOc1ccc(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422902218 943325164 /nfs/dbraw/zinc/32/51/64/943325164.db2.gz UEWVUZVFBFVJOD-IFMALSPDSA-N 1 3 352.478 3.821 20 0 FHADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCc1nc2ccccc2n1C(F)F ZINC000422906959 943326324 /nfs/dbraw/zinc/32/63/24/943326324.db2.gz ANTFAZQWVMYKBW-WMLDXEAASA-N 1 3 358.436 3.522 20 0 FHADHO c1sc(CCN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)nc1-c1ccncc1 ZINC000422907742 943327069 /nfs/dbraw/zinc/32/70/69/943327069.db2.gz CHEDNOUKDFMXJJ-RCCFBDPRSA-N 1 3 356.539 3.648 20 0 FHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000422950455 943346922 /nfs/dbraw/zinc/34/69/22/943346922.db2.gz VYEXZDDFRDDBOE-CYBMUJFWSA-N 1 3 354.429 3.536 20 0 FHADHO Cc1cc(C[C@@H](C)[NH2+][C@@H](C)c2ccc(CN)nc2C)n(-c2ccccc2)n1 ZINC000423002022 943361275 /nfs/dbraw/zinc/36/12/75/943361275.db2.gz YCYQJGZDSNSAST-WBVHZDCISA-N 1 3 363.509 3.625 20 0 FHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000423009760 943363662 /nfs/dbraw/zinc/36/36/62/943363662.db2.gz DTWFNFWZKUAVMJ-GKCIPKSASA-N 1 3 358.917 3.598 20 0 FHADHO CN1CC[C@H](C[NH2+][C@@H]2CCCCC[C@H]2N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423022947 943369961 /nfs/dbraw/zinc/36/99/61/943369961.db2.gz ISHIISYELWPADL-UTRMSSBJSA-N 1 3 353.913 3.722 20 0 FHADHO CN1CC[C@H](CN[C@@H]2CCCCC[C@H]2[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000423022947 943369968 /nfs/dbraw/zinc/36/99/68/943369968.db2.gz ISHIISYELWPADL-UTRMSSBJSA-N 1 3 353.913 3.722 20 0 FHADHO CO[C@H](c1ccccc1F)[C@H](C)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423033137 943371867 /nfs/dbraw/zinc/37/18/67/943371867.db2.gz WTCQNGZFQDGEPA-KXYFNNKZSA-N 1 3 370.468 3.747 20 0 FHADHO C[NH2+]CC1CCN(Cc2ccc(OCc3ccccc3)c(OC)c2)CC1 ZINC000435387306 943374911 /nfs/dbraw/zinc/37/49/11/943374911.db2.gz ZIELIZGIUUUNPO-UHFFFAOYSA-N 1 3 354.494 3.706 20 0 FHADHO COc1ccccc1[C@@H](C[NH2+][C@@H](C)c1ccc(CN)nc1C)OC(C)C ZINC000423056924 943377127 /nfs/dbraw/zinc/37/71/27/943377127.db2.gz YGJILOLQTSTZJT-YCRPNKLZSA-N 1 3 357.498 3.674 20 0 FHADHO Cc1nc(C[NH3+])ccc1[C@H](C)NCc1cc2cc(Br)ccc2[nH]1 ZINC000423051406 943383916 /nfs/dbraw/zinc/38/39/16/943383916.db2.gz OCYZJTXEEKBVPC-NSHDSACASA-N 1 3 373.298 3.943 20 0 FHADHO c1ccc(CN2CCSC[C@@H]2CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000423080674 943387099 /nfs/dbraw/zinc/38/70/99/943387099.db2.gz ZUWCCMOQZDDYQK-DXBBTUNJSA-N 1 3 373.610 3.504 20 0 FHADHO FC(F)(F)c1cccc([C@H]2C[C@H](N[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)C2)c1 ZINC000423103701 943401225 /nfs/dbraw/zinc/40/12/25/943401225.db2.gz XVYPEQMOCLHGLY-WSIUPNEHSA-N 1 3 368.443 3.698 20 0 FHADHO Cn1cnc2cc(CN(Cc3ccsc3)[C@@H]3CC34CC[NH2+]CC4)ccc21 ZINC000435421555 943401791 /nfs/dbraw/zinc/40/17/91/943401791.db2.gz JZRNVLWHORDMLL-HXUWFJFHSA-N 1 3 366.534 3.779 20 0 FHADHO CSc1ccc([C@H](C[NH2+][C@@H](C)c2ccc(CN)nc2C)N(C)C)cc1 ZINC000423144754 943406878 /nfs/dbraw/zinc/40/68/78/943406878.db2.gz HVJXEPYSEOMDBB-XOBRGWDASA-N 1 3 358.555 3.524 20 0 FHADHO C[C@@H](NCC1(c2ccccc2Br)CCCCC1)C1C[NH2+]C1 ZINC000423155133 943411852 /nfs/dbraw/zinc/41/18/52/943411852.db2.gz QDTFQVUWOSKRGZ-CQSZACIVSA-N 1 3 351.332 3.849 20 0 FHADHO C[C@H](NCCC[NH2+]Cc1cccnc1)c1cccc(OC(F)(F)F)c1 ZINC000423188228 943434993 /nfs/dbraw/zinc/43/49/93/943434993.db2.gz NHEUWTMMPWVXIY-AWEZNQCLSA-N 1 3 353.388 3.811 20 0 FHADHO CCN(CC(=O)Nc1c(Cl)cccc1Cl)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414736210 943485752 /nfs/dbraw/zinc/48/57/52/943485752.db2.gz MUHSBEHYAJCHTJ-OLZOCXBDSA-N 1 3 358.313 3.642 20 0 FHADHO Cc1ccc([C@@H](CNC(=O)c2ccc([C@@H](C)[NH3+])cc2)N2CCCC2)cc1 ZINC000423360299 943491233 /nfs/dbraw/zinc/49/12/33/943491233.db2.gz QKEGWLRPCUYMNE-DYESRHJHSA-N 1 3 351.494 3.582 20 0 FHADHO Cc1c([C@H](C)NC[C@H]2CC[C@H](C[NH3+])CC2)nnn1-c1ccc(Cl)cc1 ZINC000423419506 943504505 /nfs/dbraw/zinc/50/45/05/943504505.db2.gz IYHNPIWZAIUUNI-BPUTZDHNSA-N 1 3 361.921 3.645 20 0 FHADHO CCN(CCCc1nc(-c2ccc(C)c(F)c2)no1)[C@H]1CCC[NH2+]CC1 ZINC000435627756 943526905 /nfs/dbraw/zinc/52/69/05/943526905.db2.gz SHLFPGASCCLFGI-KRWDZBQOSA-N 1 3 360.477 3.581 20 0 FHADHO CCN(CCCc1nc(-c2ccc(C)c(F)c2)no1)[C@@H]1CCC[NH2+]CC1 ZINC000435627758 943527041 /nfs/dbraw/zinc/52/70/41/943527041.db2.gz SHLFPGASCCLFGI-QGZVFWFLSA-N 1 3 360.477 3.581 20 0 FHADHO COc1cc(NC(C)=O)ccc1[C@@H](C)N[C@H](CCC[NH3+])c1ccccc1 ZINC000423500188 943530164 /nfs/dbraw/zinc/53/01/64/943530164.db2.gz KELFIYJRZBFJBY-FOIQADDNSA-N 1 3 355.482 3.784 20 0 FHADHO CN(c1ccccc1)c1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)cn1 ZINC000435782158 943767481 /nfs/dbraw/zinc/76/74/81/943767481.db2.gz OSTBDMFLCKNRSD-VCSGRIEYSA-N 1 3 350.510 3.954 20 0 FHADHO CCOc1cc(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc(Cl)c1OC ZINC000414778004 943779754 /nfs/dbraw/zinc/77/97/54/943779754.db2.gz IUOPXOXIZRHQGC-JKSUJKDBSA-N 1 3 352.906 3.569 20 0 FHADHO CC(C)CN(C(=O)CC[C@H]([NH3+])CC1CCCCC1)C1CCN(C)CC1 ZINC000424197138 943782118 /nfs/dbraw/zinc/78/21/18/943782118.db2.gz WHGWMOHPYJHAOI-IBGZPJMESA-N 1 3 351.579 3.643 20 0 FHADHO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(C[C@@H]1CCCO1)C(F)(F)F ZINC000651445510 943850918 /nfs/dbraw/zinc/85/09/18/943850918.db2.gz YIYURYXWWFKRAS-GJZGRUSLSA-N 1 3 358.404 3.743 20 0 FHADHO Clc1nccc2cc(C[NH2+]C3CCN(C[C@H]4CCOC4)CC3)sc21 ZINC000894290033 943881732 /nfs/dbraw/zinc/88/17/32/943881732.db2.gz XYONSDRBZUVGGU-CYBMUJFWSA-N 1 3 365.930 3.540 20 0 FHADHO Cc1ccc([C@@H](CNC(=O)Nc2cc(C)cc(C[NH3+])c2)N2CCCC2)cc1 ZINC000424438205 943914353 /nfs/dbraw/zinc/91/43/53/943914353.db2.gz PKFPBYHHEGUNIU-OAQYLSRUSA-N 1 3 366.509 3.721 20 0 FHADHO C[C@H](C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)N1[C@H](C)CC[C@H]1C ZINC000511643756 943980312 /nfs/dbraw/zinc/98/03/12/943980312.db2.gz FDRMCFTZBMMMEV-GUDVDZBRSA-N 1 3 357.542 3.915 20 0 FHADHO COc1cccc([C@H](CNC2CC[NH+](Cc3ccccc3)CC2)N(C)C)c1 ZINC000072726740 943986268 /nfs/dbraw/zinc/98/62/68/943986268.db2.gz DQDMTVYOKMRDMV-QHCPKHFHSA-N 1 3 367.537 3.552 20 0 FHADHO C[C@@H](C[NH+]1CCC(N(C)CCCO)CC1)c1ccc(C(F)(F)F)cc1 ZINC000500087919 944081140 /nfs/dbraw/zinc/08/11/40/944081140.db2.gz HVJZVTGZCFIFEM-HNNXBMFYSA-N 1 3 358.448 3.588 20 0 FHADHO Fc1ccc(C2CC(NCc3cc(C4CC[NH2+]CC4)no3)C2)cc1Cl ZINC000425898567 944117910 /nfs/dbraw/zinc/11/79/10/944117910.db2.gz ZJCTYAVZDZWETO-UHFFFAOYSA-N 1 3 363.864 3.970 20 0 FHADHO COc1ccc(C[NH2+]CC2CCN(Cc3ccccc3Cl)CC2)cn1 ZINC000436248245 944133711 /nfs/dbraw/zinc/13/37/11/944133711.db2.gz PPERWFOAOUMIIO-UHFFFAOYSA-N 1 3 359.901 3.745 20 0 FHADHO CC(C)[C@H](Cc1ccc(F)cc1)[N@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000500121087 944135717 /nfs/dbraw/zinc/13/57/17/944135717.db2.gz ZCXJTUVEEXHDKJ-QFIPXVFZSA-N 1 3 363.565 3.741 20 0 FHADHO CC(C)[C@H](Cc1ccc(F)cc1)[N@@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000500121087 944135722 /nfs/dbraw/zinc/13/57/22/944135722.db2.gz ZCXJTUVEEXHDKJ-QFIPXVFZSA-N 1 3 363.565 3.741 20 0 FHADHO CC(C)[N@H+](C)C[C@H](O)CN[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000660373307 944362699 /nfs/dbraw/zinc/36/26/99/944362699.db2.gz OVCMUWGIIKODHY-UWWQBHOKSA-N 1 3 358.448 3.632 20 0 FHADHO CC(C)[N@@H+](C)C[C@H](O)CN[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000660373307 944362708 /nfs/dbraw/zinc/36/27/08/944362708.db2.gz OVCMUWGIIKODHY-UWWQBHOKSA-N 1 3 358.448 3.632 20 0 FHADHO CC(C)[N@H+](C)C[C@H](O)CN[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000660373305 944363093 /nfs/dbraw/zinc/36/30/93/944363093.db2.gz OVCMUWGIIKODHY-KYJSFNMBSA-N 1 3 358.448 3.632 20 0 FHADHO CC(C)[N@@H+](C)C[C@H](O)CN[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000660373305 944363102 /nfs/dbraw/zinc/36/31/02/944363102.db2.gz OVCMUWGIIKODHY-KYJSFNMBSA-N 1 3 358.448 3.632 20 0 FHADHO CCCC[N@H+](C)CC1CCN(C(=O)[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000111661250 944384334 /nfs/dbraw/zinc/38/43/34/944384334.db2.gz KXFGVFQQXODXEC-JOCHJYFZSA-N 1 3 371.569 3.622 20 0 FHADHO CCCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000111661250 944384343 /nfs/dbraw/zinc/38/43/43/944384343.db2.gz KXFGVFQQXODXEC-JOCHJYFZSA-N 1 3 371.569 3.622 20 0 FHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@H]1OCCc2ccccc21 ZINC000398156360 944529783 /nfs/dbraw/zinc/52/97/83/944529783.db2.gz QUYWCLKWRYURLN-SXSPYAJSSA-N 1 3 350.506 3.801 20 0 FHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@H]1OCCc2ccccc21 ZINC000398156360 944529792 /nfs/dbraw/zinc/52/97/92/944529792.db2.gz QUYWCLKWRYURLN-SXSPYAJSSA-N 1 3 350.506 3.801 20 0 FHADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(Cc2cnc(-c3ccsc3)s2)CC1 ZINC000518727230 944656907 /nfs/dbraw/zinc/65/69/07/944656907.db2.gz AQRIBAXHUIQWSN-SJORKVTESA-N 1 3 363.552 3.590 20 0 FHADHO CC[NH+](CC)CCOC1CCN(Cc2ccc3nc(C)sc3c2)CC1 ZINC000426422976 944752562 /nfs/dbraw/zinc/75/25/62/944752562.db2.gz XOBQTKMEHWGWSW-UHFFFAOYSA-N 1 3 361.555 3.928 20 0 FHADHO CCCC[N@H+](C)CC1CCN(Cc2cc(C(=O)OC)oc2CC)CC1 ZINC000427011650 944996627 /nfs/dbraw/zinc/99/66/27/944996627.db2.gz HZLSMWVDVXWSNQ-UHFFFAOYSA-N 1 3 350.503 3.573 20 0 FHADHO CCCC[N@@H+](C)CC1CCN(Cc2cc(C(=O)OC)oc2CC)CC1 ZINC000427011650 944996642 /nfs/dbraw/zinc/99/66/42/944996642.db2.gz HZLSMWVDVXWSNQ-UHFFFAOYSA-N 1 3 350.503 3.573 20 0 FHADHO C[C@@H]1C[C@@H](N2CCC[C@]3(CCCC(=O)N3)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168048170 945397576 /nfs/dbraw/zinc/39/75/76/945397576.db2.gz UXBHMMIOEPABDM-MHXAIHSWSA-N 1 3 369.553 3.563 20 0 FHADHO C[C@@H]1C[C@@H](N2CCC[C@]3(CCCC(=O)N3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168048170 945397582 /nfs/dbraw/zinc/39/75/82/945397582.db2.gz UXBHMMIOEPABDM-MHXAIHSWSA-N 1 3 369.553 3.563 20 0 FHADHO C[NH2+]Cc1ccccc1NC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000415908027 945898350 /nfs/dbraw/zinc/89/83/50/945898350.db2.gz CINFREVCGMRVJQ-UHFFFAOYSA-N 1 3 366.509 3.534 20 0 FHADHO C[C@@H](Nc1cc[nH+]c2cc(C(F)(F)F)ccc12)[C@@H](C)N1CCOCC1 ZINC000301802762 945973423 /nfs/dbraw/zinc/97/34/23/945973423.db2.gz UCNJWDOGNBCLNP-CHWSQXEVSA-N 1 3 353.388 3.775 20 0 FHADHO CC(C)C[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)N(C)C)c1cccs1 ZINC000475129138 946434735 /nfs/dbraw/zinc/43/47/35/946434735.db2.gz LMULYIZOWSVLGC-RBUKOAKNSA-N 1 3 373.566 3.844 20 0 FHADHO CN1CCN(CC[NH2+]Cc2ccc(Oc3cccc(F)c3)cc2)CC1(C)C ZINC000441350630 946502846 /nfs/dbraw/zinc/50/28/46/946502846.db2.gz BYGGCPAGSUWYBL-UHFFFAOYSA-N 1 3 371.500 3.734 20 0 FHADHO C[C@H](c1cccc(Br)c1)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652350447 946895133 /nfs/dbraw/zinc/89/51/33/946895133.db2.gz ZKZKKCSTUSRRJX-HUHSQHJXSA-N 1 3 367.331 3.728 20 0 FHADHO Cc1noc([C@H]2CCN([C@@H]3C[C@@H](C)[N@H+](Cc4ccccc4)[C@@H](C)C3)C2)n1 ZINC001168064608 947065522 /nfs/dbraw/zinc/06/55/22/947065522.db2.gz QRIFZMCXXRUBGW-JSJNYSNDSA-N 1 3 354.498 3.609 20 0 FHADHO Cc1noc([C@H]2CCN([C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)[C@@H](C)C3)C2)n1 ZINC001168064608 947065535 /nfs/dbraw/zinc/06/55/35/947065535.db2.gz QRIFZMCXXRUBGW-JSJNYSNDSA-N 1 3 354.498 3.609 20 0 FHADHO CCN(CC)c1ncc(C[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)s1 ZINC000192934043 947115123 /nfs/dbraw/zinc/11/51/23/947115123.db2.gz GDEQZKMRGZNJJH-GOSISDBHSA-N 1 3 358.555 3.601 20 0 FHADHO C[NH+](C)Cc1ccc(NC(=O)C(C[C@H]2CCCO2)C(F)(F)F)c(F)c1 ZINC000652440577 947137076 /nfs/dbraw/zinc/13/70/76/947137076.db2.gz HHRACSZXHJTVMY-CHWSQXEVSA-N 1 3 362.367 3.573 20 0 FHADHO C[C@@H]1CC(N2CC[C@@H](Oc3ccncc3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168065674 947178532 /nfs/dbraw/zinc/17/85/32/947178532.db2.gz XLCIHCBXVNBMTD-DNVFCKCGSA-N 1 3 365.521 3.976 20 0 FHADHO C[C@@H](NCc1ccc(OCCC[NH+](C)C)cc1)c1ccc([S@@](C)=O)cc1 ZINC000165187172 947703675 /nfs/dbraw/zinc/70/36/75/947703675.db2.gz GBZXMMRGZLNNCY-QUGAMOGWSA-N 1 3 374.550 3.605 20 0 FHADHO Cc1ccc(-c2noc([C@@H](C)N3CCC[C@H](C4CC[NH2+]CC4)C3)n2)cc1F ZINC000662296799 947722538 /nfs/dbraw/zinc/72/25/38/947722538.db2.gz NMCNJHLWMFVXSI-QAPCUYQASA-N 1 3 372.488 3.957 20 0 FHADHO C[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000579376302 947758440 /nfs/dbraw/zinc/75/84/40/947758440.db2.gz LZJBELWHDJFKRB-QSFXBCCZSA-N 1 3 369.484 3.927 20 0 FHADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCN(C(C)C)C2)c2ccccc21 ZINC000549612267 948013466 /nfs/dbraw/zinc/01/34/66/948013466.db2.gz ULDPOHQBJCOVGA-WMQCIHAUSA-N 1 3 358.526 3.878 20 0 FHADHO COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H]2CCCN(CC3CC3)C2)cc1OC ZINC000663463654 948049526 /nfs/dbraw/zinc/04/95/26/948049526.db2.gz ASZFHNBNVBCFEL-LMMKCTJWSA-N 1 3 360.542 3.907 20 0 FHADHO C[C@H](CC(=O)Nc1cccc(Cl)c1)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663469284 948062322 /nfs/dbraw/zinc/06/23/22/948062322.db2.gz PMCAOHIRVSFWFP-WBVHZDCISA-N 1 3 363.933 3.769 20 0 FHADHO C[C@H](CC(=O)Nc1cccc(Cl)c1)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663469284 948062329 /nfs/dbraw/zinc/06/23/29/948062329.db2.gz PMCAOHIRVSFWFP-WBVHZDCISA-N 1 3 363.933 3.769 20 0 FHADHO C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663469284 948062339 /nfs/dbraw/zinc/06/23/39/948062339.db2.gz PMCAOHIRVSFWFP-WBVHZDCISA-N 1 3 363.933 3.769 20 0 FHADHO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@@H]1CCCN(CC2CC2)C1)CC3 ZINC000663470625 948066171 /nfs/dbraw/zinc/06/61/71/948066171.db2.gz VQNXCQRDRBSEKJ-ZWKOTPCHSA-N 1 3 367.537 3.745 20 0 FHADHO COc1cccc(OC)c1C[NH2+]C[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000512017334 948199759 /nfs/dbraw/zinc/19/97/59/948199759.db2.gz VGGNLAJIIRMZRJ-FOIQADDNSA-N 1 3 360.523 3.938 20 0 FHADHO C[C@@H]1CN(CCC[NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)CCCO1 ZINC000432362634 948217123 /nfs/dbraw/zinc/21/71/23/948217123.db2.gz NPVCPDAOQZJVNZ-CYBMUJFWSA-N 1 3 364.839 3.949 20 0 FHADHO C[C@@H]1CN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)[C@H](C)CN1Cc1ccccc1 ZINC001168002470 948239406 /nfs/dbraw/zinc/23/94/06/948239406.db2.gz TVLPMTNPTXKDLH-HPJCCJEISA-N 1 3 367.581 3.987 20 0 FHADHO C[C@@H]1CN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)[C@H](C)CN1Cc1ccccc1 ZINC001168002470 948239414 /nfs/dbraw/zinc/23/94/14/948239414.db2.gz TVLPMTNPTXKDLH-HPJCCJEISA-N 1 3 367.581 3.987 20 0 FHADHO C[C@@H]1C[C@H](CCNCc2ncc(CN(C)C)s2)C[N@@H+]1Cc1ccccc1 ZINC000512045627 948296338 /nfs/dbraw/zinc/29/63/38/948296338.db2.gz NUMPEZXBHRXQRQ-MJGOQNOKSA-N 1 3 372.582 3.595 20 0 FHADHO C[C@@H]1C[C@H](CCNCc2ncc(CN(C)C)s2)C[N@H+]1Cc1ccccc1 ZINC000512045627 948296346 /nfs/dbraw/zinc/29/63/46/948296346.db2.gz NUMPEZXBHRXQRQ-MJGOQNOKSA-N 1 3 372.582 3.595 20 0 FHADHO CN(Cc1ccco1)Cc1ccccc1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166694760 948335792 /nfs/dbraw/zinc/33/57/92/948335792.db2.gz MKFNHFWRIZEUSZ-NHCUHLMSSA-N 1 3 353.510 3.628 20 0 FHADHO CN(Cc1ccco1)Cc1ccccc1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166694760 948335801 /nfs/dbraw/zinc/33/58/01/948335801.db2.gz MKFNHFWRIZEUSZ-NHCUHLMSSA-N 1 3 353.510 3.628 20 0 FHADHO C[C@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1cccc(OC(F)(F)F)c1 ZINC000432407188 948346223 /nfs/dbraw/zinc/34/62/23/948346223.db2.gz LBGGBUSQOSFLRE-CABCVRRESA-N 1 3 360.420 3.737 20 0 FHADHO C[C@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1cccc(OC(F)(F)F)c1 ZINC000432407188 948346228 /nfs/dbraw/zinc/34/62/28/948346228.db2.gz LBGGBUSQOSFLRE-CABCVRRESA-N 1 3 360.420 3.737 20 0 FHADHO C[C@@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000432405037 948348194 /nfs/dbraw/zinc/34/81/94/948348194.db2.gz GNGNXRCYINJQOV-HUUCEWRRSA-N 1 3 360.420 3.737 20 0 FHADHO C[C@@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000432405037 948348201 /nfs/dbraw/zinc/34/82/01/948348201.db2.gz GNGNXRCYINJQOV-HUUCEWRRSA-N 1 3 360.420 3.737 20 0 FHADHO CC[NH+](CC)CCC[C@H](C)N1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001167841375 948360875 /nfs/dbraw/zinc/36/08/75/948360875.db2.gz LWDRFDOHKTWGOK-GBESFXJTSA-N 1 3 367.578 3.971 20 0 FHADHO C[C@H]1CN(CCCC[NH2+]Cc2ccc(F)c(Br)c2)C[C@H](C)O1 ZINC000062253109 948412771 /nfs/dbraw/zinc/41/27/71/948412771.db2.gz YHMXAWHZXOGWEE-KBPBESRZSA-N 1 3 373.310 3.567 20 0 FHADHO CN(CCC(=O)Nc1c(Cl)cccc1Cl)C[C@@H]1CCC[N@H+](C)C1 ZINC000152374980 948438144 /nfs/dbraw/zinc/43/81/44/948438144.db2.gz UTMNUSLJTYVRIK-CYBMUJFWSA-N 1 3 358.313 3.596 20 0 FHADHO CN(CCC(=O)Nc1c(Cl)cccc1Cl)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152374980 948438147 /nfs/dbraw/zinc/43/81/47/948438147.db2.gz UTMNUSLJTYVRIK-CYBMUJFWSA-N 1 3 358.313 3.596 20 0 FHADHO C[C@@H]1C[N@@H+](CC2CCN(Cc3ccccc3OCC3CC3)CC2)C[C@H](C)O1 ZINC000512188281 948741539 /nfs/dbraw/zinc/74/15/39/948741539.db2.gz XUMMJPJCNIOCLB-KDURUIRLSA-N 1 3 372.553 3.797 20 0 FHADHO C[C@@H]1C[N@H+](CC2CCN(Cc3ccccc3OCC3CC3)CC2)C[C@H](C)O1 ZINC000512188281 948741546 /nfs/dbraw/zinc/74/15/46/948741546.db2.gz XUMMJPJCNIOCLB-KDURUIRLSA-N 1 3 372.553 3.797 20 0 FHADHO C[C@@H]1CC(NC[C@](C)(O)c2ccccc2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168008273 948775714 /nfs/dbraw/zinc/77/57/14/948775714.db2.gz WZUWXWQQBZVDOB-PWHSHALESA-N 1 3 352.522 3.925 20 0 FHADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(OC(F)(F)F)cc2)C[C@@H](C)O1 ZINC000067452851 948792016 /nfs/dbraw/zinc/79/20/16/948792016.db2.gz UGXJZZPHBBIXED-HUUCEWRRSA-N 1 3 360.420 3.564 20 0 FHADHO C[C@H](CCN1CCC[C@]2(CCCOC2)C1)[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000431593751 568334203 /nfs/dbraw/zinc/33/42/03/568334203.db2.gz BOLXMWLSLLICTK-BHIFYINESA-N 1 3 364.574 3.550 20 0 FHADHO C[C@H](CCN1CCC[C@]2(CCCOC2)C1)[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000431593751 568334204 /nfs/dbraw/zinc/33/42/04/568334204.db2.gz BOLXMWLSLLICTK-BHIFYINESA-N 1 3 364.574 3.550 20 0 FHADHO C[C@H](CC[N@@H+]1CCC[C@]2(CCCOC2)C1)N1CCC[C@@]2(CCCOC2)C1 ZINC000431593751 568334205 /nfs/dbraw/zinc/33/42/05/568334205.db2.gz BOLXMWLSLLICTK-BHIFYINESA-N 1 3 364.574 3.550 20 0 FHADHO C[C@H](CC[N@H+]1CCC[C@]2(CCCOC2)C1)N1CCC[C@@]2(CCCOC2)C1 ZINC000431593751 568334206 /nfs/dbraw/zinc/33/42/06/568334206.db2.gz BOLXMWLSLLICTK-BHIFYINESA-N 1 3 364.574 3.550 20 0 FHADHO Cc1ccc(C[NH+]2CCC3(CCN(c4cccc(N)n4)CC3)CC2)cc1 ZINC001164759994 721043345 /nfs/dbraw/zinc/04/33/45/721043345.db2.gz SWSYNTQSJTUSLM-UHFFFAOYSA-N 1 3 350.510 3.855 20 0 FHADHO C[C@@H]1Oc2cc(F)ccc2[C@H]1[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000579749323 927284463 /nfs/dbraw/zinc/28/44/63/927284463.db2.gz QMWIEUWBRAEQNL-AOMKIAJQSA-N 1 3 354.469 3.944 20 0 FHADHO CC(C)C[N@@H+]1CC[C@H](CNCCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000583138579 937159684 /nfs/dbraw/zinc/15/96/84/937159684.db2.gz APQIFQGOQPJDFQ-OAHLLOKOSA-N 1 3 371.447 3.602 20 0 FHADHO CC(C)C[N@H+]1CC[C@H](CNCCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000583138579 937159686 /nfs/dbraw/zinc/15/96/86/937159686.db2.gz APQIFQGOQPJDFQ-OAHLLOKOSA-N 1 3 371.447 3.602 20 0 FHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@@H]3C(C)(C)CC)CC2)CC1 ZINC000654939141 927629435 /nfs/dbraw/zinc/62/94/35/927629435.db2.gz WHWLTDYHOKCUFR-HXUWFJFHSA-N 1 3 363.590 3.610 20 0 FHADHO CCc1cc(NC(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)ccc1C ZINC000654987843 927750574 /nfs/dbraw/zinc/75/05/74/927750574.db2.gz UXDOILFCEAOZIH-UHFFFAOYSA-N 1 3 357.542 3.692 20 0 FHADHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)Nc2cccc3ccccc32)C[C@@H]1C ZINC000533447275 928906123 /nfs/dbraw/zinc/90/61/23/928906123.db2.gz BENXUQJRKZGRLW-PKOBYXMFSA-N 1 3 353.510 3.973 20 0 FHADHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)Nc2cccc3ccccc32)C[C@@H]1C ZINC000533447275 928906131 /nfs/dbraw/zinc/90/61/31/928906131.db2.gz BENXUQJRKZGRLW-PKOBYXMFSA-N 1 3 353.510 3.973 20 0 FHADHO C[C@@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc([S@](C)=O)cc1 ZINC000162924271 937376135 /nfs/dbraw/zinc/37/61/35/937376135.db2.gz HJRFRNJPFWMBPK-CRICUBBOSA-N 1 3 356.535 3.871 20 0 FHADHO Cc1ccc([C@@H](CCn2cncn2)[NH2+]C2CCN(C3CCCC3)CC2)cc1 ZINC000275811787 930420332 /nfs/dbraw/zinc/42/03/32/930420332.db2.gz FFIZKTWMBUTGNU-JOCHJYFZSA-N 1 3 367.541 3.715 20 0 FHADHO CC[N@H+](C)C[C@H](O)CN1CC[C@H](c2ccccc2)[C@H]1c1cccc(OC)c1 ZINC000580325554 930505299 /nfs/dbraw/zinc/50/52/99/930505299.db2.gz QXWOGOGALNHBQA-MDNUFGMLSA-N 1 3 368.521 3.538 20 0 FHADHO CC[N@@H+](C)C[C@H](O)CN1CC[C@H](c2ccccc2)[C@H]1c1cccc(OC)c1 ZINC000580325554 930505306 /nfs/dbraw/zinc/50/53/06/930505306.db2.gz QXWOGOGALNHBQA-MDNUFGMLSA-N 1 3 368.521 3.538 20 0 FHADHO C[C@@H]1CN(CCCC[NH2+]Cc2cscc2C(F)(F)F)C[C@H](C)O1 ZINC000583410510 937424533 /nfs/dbraw/zinc/42/45/33/937424533.db2.gz RANKRAODTAOAMG-BETUJISGSA-N 1 3 350.450 3.746 20 0 FHADHO C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)c1ccc(NC2=NCCC2)cc1 ZINC001167393470 930627627 /nfs/dbraw/zinc/62/76/27/930627627.db2.gz TXJHSXZUHCXIEK-APWZRJJASA-N 1 3 356.514 3.626 20 0 FHADHO CC[NH+]1CCC(N2CCC(C(=O)N(Cc3ccccc3)C(C)C)CC2)CC1 ZINC000581080582 931544466 /nfs/dbraw/zinc/54/44/66/931544466.db2.gz RWLRLMUYZSCCOR-UHFFFAOYSA-N 1 3 371.569 3.620 20 0 FHADHO C[C@]1(C[NH2+]Cc2cnc([C@H]3CCCO3)s2)CCN(Cc2ccccc2)C1 ZINC000375638691 931703164 /nfs/dbraw/zinc/70/31/64/931703164.db2.gz INBDRJITEWDDML-TZIWHRDSSA-N 1 3 371.550 3.996 20 0 FHADHO C[C@@]1(C[NH2+]Cc2cnc([C@H]3CCCO3)s2)CCN(Cc2ccccc2)C1 ZINC000375638688 931703205 /nfs/dbraw/zinc/70/32/05/931703205.db2.gz INBDRJITEWDDML-CTNGQTDRSA-N 1 3 371.550 3.996 20 0 FHADHO C[C@@]1(C[NH2+]Cc2cnc([C@@H]3CCCO3)s2)CCN(Cc2ccccc2)C1 ZINC000375638689 931703487 /nfs/dbraw/zinc/70/34/87/931703487.db2.gz INBDRJITEWDDML-FPOVZHCZSA-N 1 3 371.550 3.996 20 0 FHADHO CC(C)[C@](C)(C[NH3+])NCCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000430569495 931904771 /nfs/dbraw/zinc/90/47/71/931904771.db2.gz HXBNRAUIOWJGOA-NRFANRHFSA-N 1 3 355.482 3.771 20 0 FHADHO CC(C)[C@](C)(CN)[NH2+]CC(=O)Nc1ccccc1Sc1ccccc1 ZINC000430573372 931918703 /nfs/dbraw/zinc/91/87/03/931918703.db2.gz QIFFDLXGALKBTM-FQEVSTJZSA-N 1 3 357.523 3.739 20 0 FHADHO C[C@H]([NH3+])[C@@H]1CCCN(CCC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000430574048 931924501 /nfs/dbraw/zinc/92/45/01/931924501.db2.gz SDACETHMSDYEPL-ZWKOTPCHSA-N 1 3 367.493 3.867 20 0 FHADHO C[C@H](CC[NH+]1CCC2(CCCN(CC(=O)N(C)C)C2)CC1)CC(C)(C)C ZINC001279507348 932310360 /nfs/dbraw/zinc/31/03/60/932310360.db2.gz WDLBNPRAAFEHIH-LJQANCHMSA-N 1 3 365.606 3.715 20 0 FHADHO Fc1cc2c(c(F)c1)CC[C@H]2[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000656682404 932325763 /nfs/dbraw/zinc/32/57/63/932325763.db2.gz CWJPXOIDHFWXTM-OAQYLSRUSA-N 1 3 357.448 3.849 20 0 FHADHO Cc1ccc(-c2nn(C)cc2CNCc2ccc(C[NH+]3CCCC3)cc2)o1 ZINC000647168655 932334806 /nfs/dbraw/zinc/33/48/06/932334806.db2.gz FSOQHJVDXCAVEP-UHFFFAOYSA-N 1 3 364.493 3.874 20 0 FHADHO COc1cc(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)ccc1OC(F)F ZINC000656786581 932421144 /nfs/dbraw/zinc/42/11/44/932421144.db2.gz UUHIQPKIBZVNPY-MRXNPFEDSA-N 1 3 354.441 3.508 20 0 FHADHO C[C@@H](C[NH2+]C1CCN(CCc2ccc(F)cc2)CC1)N1CCC[C@H](C)C1 ZINC000155962011 932643995 /nfs/dbraw/zinc/64/39/95/932643995.db2.gz YCGLPOZPVDSECX-OALUTQOASA-N 1 3 361.549 3.543 20 0 FHADHO CC(C)Cn1nccc1C[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000647192677 932883800 /nfs/dbraw/zinc/88/38/00/932883800.db2.gz SIBULAXLQZQTNR-NGRWLJPCSA-N 1 3 354.542 3.785 20 0 FHADHO CC(C)C[N@@H+]1CCC[C@H](CNC[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000562994566 933697190 /nfs/dbraw/zinc/69/71/90/933697190.db2.gz CZKCVLOECHXGCO-IEBWSBKVSA-N 1 3 372.475 3.566 20 0 FHADHO CC(C)C[N@H+]1CCC[C@H](CNC[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000562994566 933697201 /nfs/dbraw/zinc/69/72/01/933697201.db2.gz CZKCVLOECHXGCO-IEBWSBKVSA-N 1 3 372.475 3.566 20 0 FHADHO CC(C)CN1CCC[C@@H](C[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000092567695 934089421 /nfs/dbraw/zinc/08/94/21/934089421.db2.gz SSUZVNFLVFOFPV-VIQWUECVSA-N 1 3 352.563 3.845 20 0 FHADHO CC1CC[NH+](Cc2cccc(CNC(=O)C[C@H](N)c3ccccc3)c2)CC1 ZINC000236638646 934756293 /nfs/dbraw/zinc/75/62/93/934756293.db2.gz WUDUHOVCCYEKKU-QFIPXVFZSA-N 1 3 365.521 3.625 20 0 FHADHO C[C@H]1C[C@H]([NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)c2ccsc2S1 ZINC000537958623 934823701 /nfs/dbraw/zinc/82/37/01/934823701.db2.gz BLVFTULDRLUOTG-KKBVYLPWSA-N 1 3 352.569 3.641 20 0 FHADHO CN(C)Cc1c2ccccc2oc1C(=O)NCC[NH2+]C1CCCCCC1 ZINC000237046624 935659514 /nfs/dbraw/zinc/65/95/14/935659514.db2.gz GACSVWVEWNJVDB-UHFFFAOYSA-N 1 3 357.498 3.537 20 0 FHADHO c1cc(CNc2ccc3c(c2)nc2n3CCCCC2)n(-c2ccncc2)n1 ZINC000657489382 935865861 /nfs/dbraw/zinc/86/58/61/935865861.db2.gz NQHXOUMJEKBSDS-UHFFFAOYSA-N 1 3 358.449 3.956 20 0 FHADHO c1cc(CNc2ccc3c(c2)nc2n3CCCCC2)n(-c2cc[nH+]cc2)n1 ZINC000657489382 935865864 /nfs/dbraw/zinc/86/58/64/935865864.db2.gz NQHXOUMJEKBSDS-UHFFFAOYSA-N 1 3 358.449 3.956 20 0 FHADHO c1sc(-c2ccccc2)nc1CNCC1CC[NH+](C2CCOCC2)CC1 ZINC000657536090 935975149 /nfs/dbraw/zinc/97/51/49/935975149.db2.gz FNHCGNSSMWELRH-UHFFFAOYSA-N 1 3 371.550 3.791 20 0 FHADHO CC(C)n1ccc(C[C@H](C)[NH2+]C[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)n1 ZINC000415007240 945140352 /nfs/dbraw/zinc/14/03/52/945140352.db2.gz RAZLPTYBSIPGTC-DJPFJPOOSA-N 1 3 358.505 3.517 20 0 FHADHO CN1CCC(O)(C[NH2+]Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000077450143 936051478 /nfs/dbraw/zinc/05/14/78/936051478.db2.gz CDNFQTAIIKICIO-UHFFFAOYSA-N 1 3 350.915 3.615 20 0 FHADHO COc1cccc(OC)c1C[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000657587647 936066821 /nfs/dbraw/zinc/06/68/21/936066821.db2.gz ZDARINVSBPLYME-LJQANCHMSA-N 1 3 366.505 3.991 20 0 FHADHO CCc1oc2ccccc2c1CNCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000657595306 936075371 /nfs/dbraw/zinc/07/53/71/936075371.db2.gz ONKPMEGPNWGPLQ-IBGZPJMESA-N 1 3 364.489 3.852 20 0 FHADHO CCc1oc2ccccc2c1CNCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000657595306 936075373 /nfs/dbraw/zinc/07/53/73/936075373.db2.gz ONKPMEGPNWGPLQ-IBGZPJMESA-N 1 3 364.489 3.852 20 0 FHADHO COCc1csc(CNCc2ccccc2N(C)C2CC[NH+](C)CC2)c1 ZINC000657659314 936179329 /nfs/dbraw/zinc/17/93/29/936179329.db2.gz FFMNOBYEUOKFRZ-UHFFFAOYSA-N 1 3 373.566 3.715 20 0 FHADHO C[C@H](CN[C@H](C)CC(=O)Nc1ccccc1C(F)(F)F)C[NH+]1CCCC1 ZINC000120934997 936273041 /nfs/dbraw/zinc/27/30/41/936273041.db2.gz PCTBTDFVLMCGHK-HUUCEWRRSA-N 1 3 371.447 3.744 20 0 FHADHO C[C@H](C[NH2+][C@H](C)CC(=O)Nc1ccccc1C(F)(F)F)CN1CCCC1 ZINC000120934997 936273045 /nfs/dbraw/zinc/27/30/45/936273045.db2.gz PCTBTDFVLMCGHK-HUUCEWRRSA-N 1 3 371.447 3.744 20 0 FHADHO CN(C)Cc1cc(C[NH2+][C@H]2CCN(C)[C@H](c3ccccc3)C2)ccc1F ZINC000569631673 938300549 /nfs/dbraw/zinc/30/05/49/938300549.db2.gz GUAOZYHAZQOPNR-UNMCSNQZSA-N 1 3 355.501 3.812 20 0 FHADHO CC(C)c1ccccc1NC(=O)C[C@@H](C)NCc1ccc(C[NH3+])cc1F ZINC000650718011 938305000 /nfs/dbraw/zinc/30/50/00/938305000.db2.gz URGZLGQPQGANFE-OAHLLOKOSA-N 1 3 357.473 3.915 20 0 FHADHO FC(F)C(F)(F)COCCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000278370343 938355389 /nfs/dbraw/zinc/35/53/89/938355389.db2.gz DMNHQAVGPUWQMG-BJWYYQGGSA-N 1 3 374.422 3.689 20 0 FHADHO FC(F)C(F)(F)COCCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000278370343 938355391 /nfs/dbraw/zinc/35/53/91/938355391.db2.gz DMNHQAVGPUWQMG-BJWYYQGGSA-N 1 3 374.422 3.689 20 0 FHADHO C[NH2+]Cc1ccccc1CN[C@@H](Cc1ccncc1)c1ccc(OC)cc1 ZINC000650755421 938414509 /nfs/dbraw/zinc/41/45/09/938414509.db2.gz DUHWZFUZXNAEBX-QHCPKHFHSA-N 1 3 361.489 3.883 20 0 FHADHO C[NH2+]Cc1ccccc1CN[C@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000650758103 938426254 /nfs/dbraw/zinc/42/62/54/938426254.db2.gz JFJSDFAJUBPPQP-QGZVFWFLSA-N 1 3 364.493 3.569 20 0 FHADHO CCCO[C@@H]1CCCN(CCC[N@@H+]2CCC[C@H](OCCC)CC2)CC1 ZINC000158049905 938467886 /nfs/dbraw/zinc/46/78/86/938467886.db2.gz VQJJMXJQPSBUMB-OYRHEFFESA-N 1 3 354.579 3.939 20 0 FHADHO CCCO[C@@H]1CCCN(CCC[N@H+]2CCC[C@H](OCCC)CC2)CC1 ZINC000158049905 938467889 /nfs/dbraw/zinc/46/78/89/938467889.db2.gz VQJJMXJQPSBUMB-OYRHEFFESA-N 1 3 354.579 3.939 20 0 FHADHO CCCO[C@@H]1CCC[N@@H+](CCCN2CCC[C@H](OCCC)CC2)CC1 ZINC000158049905 938467891 /nfs/dbraw/zinc/46/78/91/938467891.db2.gz VQJJMXJQPSBUMB-OYRHEFFESA-N 1 3 354.579 3.939 20 0 FHADHO CCCO[C@@H]1CCC[N@H+](CCCN2CCC[C@H](OCCC)CC2)CC1 ZINC000158049905 938467894 /nfs/dbraw/zinc/46/78/94/938467894.db2.gz VQJJMXJQPSBUMB-OYRHEFFESA-N 1 3 354.579 3.939 20 0 FHADHO COc1cccc(CNCc2ccccc2N(C)C2CC[NH+](C)CC2)c1C ZINC000657803907 938473490 /nfs/dbraw/zinc/47/34/90/938473490.db2.gz BEVCSOBUALNFEX-UHFFFAOYSA-N 1 3 367.537 3.824 20 0 FHADHO Fc1ccc(Br)c(CNCC2CC[NH+](CC3CC3)CC2)c1 ZINC000657812442 938512300 /nfs/dbraw/zinc/51/23/00/938512300.db2.gz BZMVWBJCLQWDBL-UHFFFAOYSA-N 1 3 355.295 3.800 20 0 FHADHO Cc1cc2cc(CN(C)[C@H]3CC[N@@H+](C4CCN(C)CC4)C3)oc2cc1C ZINC000685458011 938987986 /nfs/dbraw/zinc/98/79/86/938987986.db2.gz XIIRRWOZZQKDTF-FQEVSTJZSA-N 1 3 355.526 3.650 20 0 FHADHO Cc1cc2cc(CN(C)[C@H]3CC[N@H+](C4CCN(C)CC4)C3)oc2cc1C ZINC000685458011 938987987 /nfs/dbraw/zinc/98/79/87/938987987.db2.gz XIIRRWOZZQKDTF-FQEVSTJZSA-N 1 3 355.526 3.650 20 0 FHADHO COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCN(Cc3ccccc3)C2)cc1O ZINC000685646316 939008094 /nfs/dbraw/zinc/00/80/94/939008094.db2.gz MTXCOXNCUOPFOI-MJGOQNOKSA-N 1 3 354.494 3.964 20 0 FHADHO C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1nccc2ccccc21 ZINC000685653812 939009087 /nfs/dbraw/zinc/00/90/87/939009087.db2.gz XECVKWPPFOZJNP-DYESRHJHSA-N 1 3 361.489 3.652 20 0 FHADHO C[C@@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1nccc2ccccc21 ZINC000685653812 939009088 /nfs/dbraw/zinc/00/90/88/939009088.db2.gz XECVKWPPFOZJNP-DYESRHJHSA-N 1 3 361.489 3.652 20 0 FHADHO COC[C@H](CC1CCOCC1)[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000658019639 939018962 /nfs/dbraw/zinc/01/89/62/939018962.db2.gz UAADBRZXUIOVBU-PKTZIBPZSA-N 1 3 374.569 3.710 20 0 FHADHO CC(=O)Nc1cccc([C@@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)c1 ZINC000658166120 939054290 /nfs/dbraw/zinc/05/42/90/939054290.db2.gz MQLWXWJHYCIICH-QGZVFWFLSA-N 1 3 366.509 3.603 20 0 FHADHO COc1ccc(C[C@@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1 ZINC000658166163 939054541 /nfs/dbraw/zinc/05/45/41/939054541.db2.gz MVXHNCFLJCKXIO-GOSISDBHSA-N 1 3 353.510 3.523 20 0 FHADHO CC[C@H]1CCCN(CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000518250474 945252839 /nfs/dbraw/zinc/25/28/39/945252839.db2.gz GVUPQYNCBLUGNA-FQEVSTJZSA-N 1 3 371.569 3.588 20 0 FHADHO COc1cc2c(c(CNCCCC[NH+]3C[C@H](C)C[C@@H](C)C3)c1)O[C@H](C)C2 ZINC000518266173 945268923 /nfs/dbraw/zinc/26/89/23/945268923.db2.gz OLIORRCDEPWJCP-KZNAEPCWSA-N 1 3 360.542 3.866 20 0 FHADHO C[C@H](COCC(F)(F)F)N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000278799801 940183314 /nfs/dbraw/zinc/18/33/14/940183314.db2.gz RCGOTVVQQSCIJM-NRSFXHEJSA-N 1 3 356.432 3.739 20 0 FHADHO C[C@H](COCC(F)(F)F)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000278799801 940183316 /nfs/dbraw/zinc/18/33/16/940183316.db2.gz RCGOTVVQQSCIJM-NRSFXHEJSA-N 1 3 356.432 3.739 20 0 FHADHO C[C@@H](C(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C)N1CCCCCC1 ZINC000472503085 940445550 /nfs/dbraw/zinc/44/55/50/940445550.db2.gz RVSDZFNBVAPBOF-AQNXPRMDSA-N 1 3 371.569 3.524 20 0 FHADHO CCCN1CCN(c2ccccc2C[NH2+]CCC2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000548988719 940445678 /nfs/dbraw/zinc/44/56/78/940445678.db2.gz DBDXTEANLUJXIQ-WOJBJXKFSA-N 1 3 373.585 3.902 20 0 FHADHO Cc1cc(CN2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)nc(C)n1 ZINC000660624230 945329831 /nfs/dbraw/zinc/32/98/31/945329831.db2.gz WYVXBAOIJRVPJI-UHFFFAOYSA-N 1 3 350.510 3.582 20 0 FHADHO C[NH+](C)CCOc1ccc(CN[C@H](c2cccs2)C(C)(C)CO)cc1 ZINC000651591731 945349457 /nfs/dbraw/zinc/34/94/57/945349457.db2.gz AHVOZKMPKQUEJE-LJQANCHMSA-N 1 3 362.539 3.538 20 0 FHADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@@H](CO)c2ccc(F)cc2)CC1 ZINC000414305037 940932252 /nfs/dbraw/zinc/93/22/52/940932252.db2.gz YEKMWFHIFLJTFR-NQIIRXRSSA-N 1 3 370.512 3.587 20 0 FHADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCc1c[nH]c2ccc(Br)cc12 ZINC000423029877 940949832 /nfs/dbraw/zinc/94/98/32/940949832.db2.gz IWKAOOVWHUWCJQ-WBMJQRKESA-N 1 3 350.304 3.580 20 0 FHADHO CN1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(OCc3ccncc3)cc1)C2 ZINC000660661167 945366114 /nfs/dbraw/zinc/36/61/14/945366114.db2.gz ZAAMGLQIONPFFN-JOCHJYFZSA-N 1 3 351.494 3.578 20 0 FHADHO CN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(OCc3ccncc3)cc1)C2 ZINC000660661167 945366116 /nfs/dbraw/zinc/36/61/16/945366116.db2.gz ZAAMGLQIONPFFN-JOCHJYFZSA-N 1 3 351.494 3.578 20 0 FHADHO CC(C)N1CCC([NH2+]Cc2ccc(CNC(=O)OC(C)(C)C)cc2)CC1 ZINC000311298991 941225801 /nfs/dbraw/zinc/22/58/01/941225801.db2.gz GMJPNXVIHIBNHI-UHFFFAOYSA-N 1 3 361.530 3.674 20 0 FHADHO C[C@H](CCC[NH3+])NCc1csc(-c2cccc(Br)c2)n1 ZINC000415024370 941547443 /nfs/dbraw/zinc/54/74/43/941547443.db2.gz OVZDOYUUJINKBH-LLVKDONJSA-N 1 3 354.317 3.790 20 0 FHADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(Cc2c(Cl)ccc3cccnc32)CC1 ZINC000415106718 941609374 /nfs/dbraw/zinc/60/93/74/941609374.db2.gz JUCKNXQOJBWQMC-ICSRJNTNSA-N 1 3 359.901 3.607 20 0 FHADHO CC(C)C[C@@H](N)C[NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000415113278 941611266 /nfs/dbraw/zinc/61/12/66/941611266.db2.gz DWWOOYCZCQVXAY-QGZVFWFLSA-N 1 3 358.357 3.921 20 0 FHADHO CC(C)C[C@@H]([NH3+])CNC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000415113278 941611269 /nfs/dbraw/zinc/61/12/69/941611269.db2.gz DWWOOYCZCQVXAY-QGZVFWFLSA-N 1 3 358.357 3.921 20 0 FHADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(Cc2ccccc2OC2CCCC2)CC1 ZINC000415122368 941617703 /nfs/dbraw/zinc/61/77/03/941617703.db2.gz IFIFRKOHKXTEAF-IFMALSPDSA-N 1 3 358.526 3.726 20 0 FHADHO COC1CCN(C(C)(C)C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000513231109 941788418 /nfs/dbraw/zinc/78/84/18/941788418.db2.gz BTSXYFXVKUEYKU-PZJWPPBQSA-N 1 3 373.585 3.519 20 0 FHADHO CN(C)Cc1c2ccccc2oc1C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000261673048 941789463 /nfs/dbraw/zinc/78/94/63/941789463.db2.gz GNVBXZIISNEZJP-UHFFFAOYSA-N 1 3 367.424 3.532 20 0 FHADHO COc1ccc2c(c1)CCC[C@H]2N(C)C1CC[NH+](C2CCOCC2)CC1 ZINC000377650791 941866139 /nfs/dbraw/zinc/86/61/39/941866139.db2.gz NXWICUNLIZZNDM-JOCHJYFZSA-N 1 3 358.526 3.648 20 0 FHADHO CC[NH+](CC)Cc1ccc(C(=O)NC[C@H](C)N(C)Cc2ccccc2)cc1 ZINC000513464925 941942193 /nfs/dbraw/zinc/94/21/93/941942193.db2.gz GPFMJGIFAWWQHR-IBGZPJMESA-N 1 3 367.537 3.779 20 0 FHADHO O=c1[nH]c2ccccc2cc1CN1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377759604 941966512 /nfs/dbraw/zinc/96/65/12/941966512.db2.gz HLWOLCYACFTVAY-IFMALSPDSA-N 1 3 373.500 3.894 20 0 FHADHO O=c1[nH]c2ccccc2cc1CN1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377759604 941966516 /nfs/dbraw/zinc/96/65/16/941966516.db2.gz HLWOLCYACFTVAY-IFMALSPDSA-N 1 3 373.500 3.894 20 0 FHADHO C[C@H]1C[C@H](CCNCc2nc3ccccc3n2C)C[N@@H+]1Cc1ccccc1 ZINC000513543932 942004795 /nfs/dbraw/zinc/00/47/95/942004795.db2.gz BCIIBOSDGFFBEP-ICSRJNTNSA-N 1 3 362.521 3.964 20 0 FHADHO C[C@H]1C[C@H](CCNCc2nc3ccccc3n2C)C[N@H+]1Cc1ccccc1 ZINC000513543932 942004800 /nfs/dbraw/zinc/00/48/00/942004800.db2.gz BCIIBOSDGFFBEP-ICSRJNTNSA-N 1 3 362.521 3.964 20 0 FHADHO C[NH2+]Cc1ccccc1NC(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000415895854 942123225 /nfs/dbraw/zinc/12/32/25/942123225.db2.gz CBOYDTNNETYOAN-LJQANCHMSA-N 1 3 372.538 3.552 20 0 FHADHO C[NH2+]Cc1ccccc1NC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000415913823 942136914 /nfs/dbraw/zinc/13/69/14/942136914.db2.gz RRYCNQPDGCZHNC-SFHVURJKSA-N 1 3 366.509 3.534 20 0 FHADHO CC(C)N1CCN(CCC[NH2+][C@H](C)C2(c3ccccc3)CCCC2)CC1 ZINC000501980467 942149570 /nfs/dbraw/zinc/14/95/70/942149570.db2.gz RXQWSMOMONPREA-OAQYLSRUSA-N 1 3 357.586 3.893 20 0 FHADHO CC[NH2+]Cc1ccccc1NC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000415924389 942152585 /nfs/dbraw/zinc/15/25/85/942152585.db2.gz WKLDZMMIIFDDRJ-JXFKEZNVSA-N 1 3 354.498 3.609 20 0 FHADHO CC[NH2+]Cc1cccc(NC(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)c1 ZINC000415923500 942153347 /nfs/dbraw/zinc/15/33/47/942153347.db2.gz VGTULYMVULCRFE-UZLBHIALSA-N 1 3 354.498 3.609 20 0 FHADHO CC[NH2+]Cc1ccccc1NC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000415954035 942195578 /nfs/dbraw/zinc/19/55/78/942195578.db2.gz LVTBRJPUKJQTNX-PXNSSMCTSA-N 1 3 366.509 3.581 20 0 FHADHO C[C@H](CN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21)c1ccc(C(F)(F)F)cc1 ZINC000501040453 942270623 /nfs/dbraw/zinc/27/06/23/942270623.db2.gz ZYIGKXDYMWCMLH-GRGSLBFTSA-N 1 3 370.459 3.992 20 0 FHADHO CCOc1ccc(C[N@H+](CCCN2CCN(C(C)C)CC2)C(C)C)cc1 ZINC000501100862 942307567 /nfs/dbraw/zinc/30/75/67/942307567.db2.gz KVXCKOYRFAHIBO-UHFFFAOYSA-N 1 3 361.574 3.712 20 0 FHADHO CCOc1ccc(C[N@@H+](CCCN2CCN(C(C)C)CC2)C(C)C)cc1 ZINC000501100862 942307571 /nfs/dbraw/zinc/30/75/71/942307571.db2.gz KVXCKOYRFAHIBO-UHFFFAOYSA-N 1 3 361.574 3.712 20 0 FHADHO CCN1CCN(CCC[NH2+][C@H](C)[C@@H]2C[C@H]2c2ccc(Cl)s2)CC1 ZINC000378190824 942373089 /nfs/dbraw/zinc/37/30/89/942373089.db2.gz MZENWVXLTFEWFE-OWCLPIDISA-N 1 3 355.979 3.511 20 0 FHADHO O[C@H](C[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000312042654 942389324 /nfs/dbraw/zinc/38/93/24/942389324.db2.gz XDDCTPMELMMYIN-SIKLNZKXSA-N 1 3 356.485 3.751 20 0 FHADHO C[C@H]1CN(CCCC[NH2+]Cc2ccc(SC(F)F)cc2)C[C@H](C)O1 ZINC000180920823 942451708 /nfs/dbraw/zinc/45/17/08/942451708.db2.gz HEDKNFUUWOLTQP-GJZGRUSLSA-N 1 3 358.498 3.980 20 0 FHADHO CCN1CCC([N@@H+]2CCCN(Cc3ccc4nc(C)ccc4c3)CC2)CC1 ZINC000421366678 942517326 /nfs/dbraw/zinc/51/73/26/942517326.db2.gz DCMFDEZNHZWLEU-UHFFFAOYSA-N 1 3 366.553 3.535 20 0 FHADHO CCN1CCC([N@H+]2CCCN(Cc3ccc4nc(C)ccc4c3)CC2)CC1 ZINC000421366678 942517331 /nfs/dbraw/zinc/51/73/31/942517331.db2.gz DCMFDEZNHZWLEU-UHFFFAOYSA-N 1 3 366.553 3.535 20 0 FHADHO C[NH+](C)C1CCC(NCc2cn(-c3cccc(Cl)c3Cl)nn2)CC1 ZINC000421379207 942529007 /nfs/dbraw/zinc/52/90/07/942529007.db2.gz WQTIENZAUTWUET-UHFFFAOYSA-N 1 3 368.312 3.537 20 0 FHADHO COc1ccc(Br)cc1[C@@H]1CCCN1CC[C@H]1CC[NH2+]C1 ZINC000420299282 942609703 /nfs/dbraw/zinc/60/97/03/942609703.db2.gz IQDRXFVJICJMRT-CJNGLKHVSA-N 1 3 353.304 3.594 20 0 FHADHO COc1ccc([C@@H](C[NH3+])CN2CCC[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000420302353 942610917 /nfs/dbraw/zinc/61/09/17/942610917.db2.gz JSNZCQMQGUPUPP-ICSRJNTNSA-N 1 3 370.493 3.592 20 0 FHADHO CC(=O)c1c(C)cc(C)c(CN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c1C ZINC000420388156 942651024 /nfs/dbraw/zinc/65/10/24/942651024.db2.gz WWZKNZSPRAFQCX-IRLDBZIGSA-N 1 3 358.526 3.533 20 0 FHADHO CC(=O)c1c(C)cc(C)c(CN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c1C ZINC000420388157 942651286 /nfs/dbraw/zinc/65/12/86/942651286.db2.gz WWZKNZSPRAFQCX-RBBKRZOGSA-N 1 3 358.526 3.533 20 0 FHADHO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420406027 942663397 /nfs/dbraw/zinc/66/33/97/942663397.db2.gz NIBKMQDWNKNVFW-MBOZVWFJSA-N 1 3 351.494 3.917 20 0 FHADHO Cc1ccc2ncc(CN3CCC(C[N@@H+](C)Cc4ccccc4)CC3)n2c1 ZINC000514099670 942759023 /nfs/dbraw/zinc/75/90/23/942759023.db2.gz PTUMZLNNQKIZJR-UHFFFAOYSA-N 1 3 362.521 3.987 20 0 FHADHO Cc1ccc2ncc(CN3CCC(C[N@H+](C)Cc4ccccc4)CC3)n2c1 ZINC000514099670 942759027 /nfs/dbraw/zinc/75/90/27/942759027.db2.gz PTUMZLNNQKIZJR-UHFFFAOYSA-N 1 3 362.521 3.987 20 0 FHADHO Cc1nccn1CCCC[N@@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000502868773 942814960 /nfs/dbraw/zinc/81/49/60/942814960.db2.gz JVMNWHHNGJDWEJ-QHCPKHFHSA-N 1 3 366.553 3.960 20 0 FHADHO Cc1nccn1CCCC[N@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000502868773 942814970 /nfs/dbraw/zinc/81/49/70/942814970.db2.gz JVMNWHHNGJDWEJ-QHCPKHFHSA-N 1 3 366.553 3.960 20 0 FHADHO CN(c1ccccc1CN1CC[C@@]2(C)[C@@H](C1)C2(F)F)C1CC[NH+](C)CC1 ZINC000430092978 942906209 /nfs/dbraw/zinc/90/62/09/942906209.db2.gz DIXLVAMWFOSYPJ-UXHICEINSA-N 1 3 363.496 3.694 20 0 FHADHO C[N@@H+]1CCC[C@@H]1CCN1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000503051169 942926844 /nfs/dbraw/zinc/92/68/44/942926844.db2.gz HMCWOUFNTKUNLK-LJQANCHMSA-N 1 3 361.533 3.858 20 0 FHADHO C[N@H+]1CCC[C@@H]1CCN1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000503051169 942926846 /nfs/dbraw/zinc/92/68/46/942926846.db2.gz HMCWOUFNTKUNLK-LJQANCHMSA-N 1 3 361.533 3.858 20 0 FHADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)N[C@H](C[NH3+])C1CCCCC1 ZINC000414856447 943003055 /nfs/dbraw/zinc/00/30/55/943003055.db2.gz ZDOUFWFRIYXZJS-DNVCBOLYSA-N 1 3 365.949 3.574 20 0 FHADHO C[C@@H](NC(=O)c1ccc(Nc2ccncc2)cc1)[C@H](c1ccccc1)[NH+](C)C ZINC000505573435 943057896 /nfs/dbraw/zinc/05/78/96/943057896.db2.gz BTGHUHRLRLJTBV-VGOFRKELSA-N 1 3 374.488 3.668 20 0 FHADHO Cn1ncc2c1CCC[C@@H]2[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000272281174 943128668 /nfs/dbraw/zinc/12/86/68/943128668.db2.gz ADKXGSGLOZPSCO-JTJHWIPRSA-N 1 3 350.510 3.583 20 0 FHADHO CCN1CCN(Cc2ccc(C[NH2+]Cc3cccc4cc[nH]c43)cc2)CC1 ZINC000236844713 943139343 /nfs/dbraw/zinc/13/93/43/943139343.db2.gz ZHEBTDNTWICDMN-UHFFFAOYSA-N 1 3 362.521 3.595 20 0 FHADHO COc1cc(CN2CCC[C@H]([C@@H](C)[NH3+])C2)c(-c2ccccc2)cc1OC ZINC000414665888 943165319 /nfs/dbraw/zinc/16/53/19/943165319.db2.gz VSJUZYOBYBZQDI-AEFFLSMTSA-N 1 3 354.494 3.930 20 0 FHADHO COc1cc(CN2CCC[C@@H]([C@@H](C)[NH3+])C2)c(-c2ccccc2)cc1OC ZINC000414665893 943165419 /nfs/dbraw/zinc/16/54/19/943165419.db2.gz VSJUZYOBYBZQDI-SJLPKXTDSA-N 1 3 354.494 3.930 20 0 FHADHO C[N@@H+](Cc1ccc(-c2cc[nH]n2)o1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000435125164 943180053 /nfs/dbraw/zinc/18/00/53/943180053.db2.gz VWRULHHIAVHALG-SFHVURJKSA-N 1 3 350.466 3.624 20 0 FHADHO C[N@H+](Cc1ccc(-c2cc[nH]n2)o1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000435125164 943180056 /nfs/dbraw/zinc/18/00/56/943180056.db2.gz VWRULHHIAVHALG-SFHVURJKSA-N 1 3 350.466 3.624 20 0 FHADHO C[C@@H]1C[C@H](C)[N@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C[C@@H]1CN ZINC000422636171 943215918 /nfs/dbraw/zinc/21/59/18/943215918.db2.gz MOCKVJNSPDNZFR-HBFSDRIKSA-N 1 3 365.521 3.987 20 0 FHADHO C[C@@H]1C[C@H](C)[N@@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C[C@@H]1CN ZINC000422636171 943215922 /nfs/dbraw/zinc/21/59/22/943215922.db2.gz MOCKVJNSPDNZFR-HBFSDRIKSA-N 1 3 365.521 3.987 20 0 FHADHO C[C@@H]1C[C@H](C)N(CCC(=O)Nc2ccccc2-c2ccccc2)C[C@@H]1C[NH3+] ZINC000422636171 943215928 /nfs/dbraw/zinc/21/59/28/943215928.db2.gz MOCKVJNSPDNZFR-HBFSDRIKSA-N 1 3 365.521 3.987 20 0 FHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCc1cc(Br)ccc1F ZINC000422703576 943239494 /nfs/dbraw/zinc/23/94/94/943239494.db2.gz NJQKRYOWXGDKOX-NSHDSACASA-N 1 3 366.278 3.644 20 0 FHADHO CCOc1ccc(Oc2cc(CN[C@@H]3CCCC[C@H]3C[NH3+])ccn2)cc1 ZINC000422718726 943256320 /nfs/dbraw/zinc/25/63/20/943256320.db2.gz XLBLTLUYBKDWNQ-FXAWDEMLSA-N 1 3 355.482 3.880 20 0 FHADHO Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@@H](C)c2ccc(CN)nc2C)C1 ZINC000422752003 943272384 /nfs/dbraw/zinc/27/23/84/943272384.db2.gz CDYUZEQUNABKKL-LPHOPBHVSA-N 1 3 356.489 3.616 20 0 FHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000422769311 943276956 /nfs/dbraw/zinc/27/69/56/943276956.db2.gz OPIYSFMMVDYKAN-YCRPNKLZSA-N 1 3 355.482 3.668 20 0 FHADHO CCOC(=O)C1([C@H](C)N[C@H](C)c2cc(Cl)ccc2Cl)CC[NH2+]CC1 ZINC000422776084 943278235 /nfs/dbraw/zinc/27/82/35/943278235.db2.gz CEKFSGAISUHETL-OLZOCXBDSA-N 1 3 373.324 3.965 20 0 FHADHO Clc1cnc(NCCN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c(Cl)c1 ZINC000422778862 943280310 /nfs/dbraw/zinc/28/03/10/943280310.db2.gz HWZWTWAVSAFPIA-CWRNSKLLSA-N 1 3 357.329 3.701 20 0 FHADHO C[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)Oc1ccc(Br)cc1 ZINC000422797828 943287387 /nfs/dbraw/zinc/28/73/87/943287387.db2.gz OQVHCTPFNYLZKU-BNEJOLLZSA-N 1 3 367.331 3.727 20 0 FHADHO CN(C)c1cc(CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c2ccccc2n1 ZINC000422802864 943289364 /nfs/dbraw/zinc/28/93/64/943289364.db2.gz FELUGOJTGHRKDR-VAMGGRTRSA-N 1 3 352.526 3.701 20 0 FHADHO Cc1nc(C[NH3+])ccc1[C@H](C)NCc1ccc(COCC(F)(F)F)cc1 ZINC000422811118 943291519 /nfs/dbraw/zinc/29/15/19/943291519.db2.gz OLGPLOQNNCCTFK-ZDUSSCGKSA-N 1 3 367.415 3.778 20 0 FHADHO C[C@H](CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)c1c(Cl)cccc1Cl ZINC000422883290 943316158 /nfs/dbraw/zinc/31/61/58/943316158.db2.gz UPWVULBJPRCQOY-UTJXIGIESA-N 1 3 357.325 3.844 20 0 FHADHO CC[C@H](C)[C@H](N[C@@H](C)C[C@H](C)[NH3+])C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000422882496 943316189 /nfs/dbraw/zinc/31/61/89/943316189.db2.gz AUXCUNOVXGRTDG-OZIGNCPNSA-N 1 3 373.585 3.598 20 0 FHADHO CC[C@H](C)[C@H](N[C@@H](C)C[C@@H](C)[NH3+])C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000422882501 943316326 /nfs/dbraw/zinc/31/63/26/943316326.db2.gz AUXCUNOVXGRTDG-WEMPKCCASA-N 1 3 373.585 3.598 20 0 FHADHO Cc1nccn1-c1ccc(CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1F ZINC000422903355 943325310 /nfs/dbraw/zinc/32/53/10/943325310.db2.gz OILUJPXUFSFJGH-DFQSSKMNSA-N 1 3 356.489 3.720 20 0 FHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H](C)Cc1ccccc1Br ZINC000422928805 943334410 /nfs/dbraw/zinc/33/44/10/943334410.db2.gz MSMBPVTZFLSSSX-CHWSQXEVSA-N 1 3 362.315 3.893 20 0 FHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCc1ccccc1OC(F)(F)F ZINC000422927751 943334645 /nfs/dbraw/zinc/33/46/45/943334645.db2.gz GYWZNHYXWFZNKC-LBPRGKRZSA-N 1 3 353.388 3.641 20 0 FHADHO CC(C)N1CCN(C2CC[NH+](CC[C@H]3CCc4ccccc43)CC2)CC1 ZINC000660150662 943335220 /nfs/dbraw/zinc/33/52/20/943335220.db2.gz KPTYVYGCGKJXES-OAQYLSRUSA-N 1 3 355.570 3.597 20 0 FHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000422952427 943347703 /nfs/dbraw/zinc/34/77/03/943347703.db2.gz BEYISDIIAPDUOP-AWEZNQCLSA-N 1 3 367.522 3.651 20 0 FHADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)Nc1cccc(CN2CCSCC2)c1 ZINC000422955765 943349280 /nfs/dbraw/zinc/34/92/80/943349280.db2.gz NKEKSRQAZMECQV-LAUBAEHRSA-N 1 3 355.551 3.606 20 0 FHADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1ccc(Sc2ccc(F)cc2)cc1 ZINC000423012481 943364369 /nfs/dbraw/zinc/36/43/69/943364369.db2.gz DEIBXOVLVUNLQB-GKCIPKSASA-N 1 3 360.498 3.819 20 0 FHADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000423023130 943365485 /nfs/dbraw/zinc/36/54/85/943365485.db2.gz JAXWRBHORLFNMP-NBQZKYEYSA-N 1 3 361.892 3.606 20 0 FHADHO CN1CC[C@H](C[NH2+][C@@H]2CCCCC[C@@H]2N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423022948 943369370 /nfs/dbraw/zinc/36/93/70/943369370.db2.gz ISHIISYELWPADL-ZWQIFLOQSA-N 1 3 353.913 3.722 20 0 FHADHO CN1CC[C@H](CN[C@@H]2CCCCC[C@@H]2[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000423022948 943369375 /nfs/dbraw/zinc/36/93/75/943369375.db2.gz ISHIISYELWPADL-ZWQIFLOQSA-N 1 3 353.913 3.722 20 0 FHADHO C[C@H](NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1)[C@@H]1CCCC[NH2+]1 ZINC000423022898 943369636 /nfs/dbraw/zinc/36/96/36/943369636.db2.gz IMYLTRKAPRGFRW-KNEBKQPDSA-N 1 3 353.913 3.592 20 0 FHADHO C[C@H]([NH2+]C[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1)[C@@H]1CCCCN1 ZINC000423022898 943369639 /nfs/dbraw/zinc/36/96/39/943369639.db2.gz IMYLTRKAPRGFRW-KNEBKQPDSA-N 1 3 353.913 3.592 20 0 FHADHO CN(C)[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1cccc(C(F)(F)F)c1 ZINC000423049580 943383873 /nfs/dbraw/zinc/38/38/73/943383873.db2.gz KGUIJDUFKNLBGU-NCXUSEDFSA-N 1 3 369.475 3.818 20 0 FHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC1(CCOCc2ccccc2)CC1 ZINC000423055102 943385637 /nfs/dbraw/zinc/38/56/37/943385637.db2.gz VUAWDCLOJOMRNZ-KRWDZBQOSA-N 1 3 353.510 3.886 20 0 FHADHO CCCNc1ccc(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000423078665 943386347 /nfs/dbraw/zinc/38/63/47/943386347.db2.gz WLPOTIWGZFAIEI-IRLDBZIGSA-N 1 3 351.494 3.854 20 0 FHADHO CCO[C@H](CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000423089110 943390595 /nfs/dbraw/zinc/39/05/95/943390595.db2.gz RRZRXVLEAXKDPJ-FCEUIQTBSA-N 1 3 352.478 3.610 20 0 FHADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCc1c[nH]c2cccc(Br)c12 ZINC000423119735 943396851 /nfs/dbraw/zinc/39/68/51/943396851.db2.gz DMUOYWOEMLQZBS-SWLSCSKDSA-N 1 3 350.304 3.580 20 0 FHADHO CC(C)Oc1ccc([C@H](CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)N(C)C)cc1 ZINC000423122572 943397668 /nfs/dbraw/zinc/39/76/68/943397668.db2.gz KAIPUXBCPBOAKT-YSFYHYPLSA-N 1 3 359.558 3.587 20 0 FHADHO CSc1ccc([C@H](C[NH2+][C@H](Cc2ccccc2)[C@H](C)N)N(C)C)cc1 ZINC000423146192 943407269 /nfs/dbraw/zinc/40/72/69/943407269.db2.gz OLHLCGOPZZZIBA-DQLDELGASA-N 1 3 357.567 3.559 20 0 FHADHO CSc1ccc([C@H](CN[C@H](Cc2ccccc2)[C@H](C)[NH3+])N(C)C)cc1 ZINC000423146192 943407272 /nfs/dbraw/zinc/40/72/72/943407272.db2.gz OLHLCGOPZZZIBA-DQLDELGASA-N 1 3 357.567 3.559 20 0 FHADHO CSc1ccc([C@H](CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)N(C)C)cc1 ZINC000423143893 943419076 /nfs/dbraw/zinc/41/90/76/943419076.db2.gz FJZQEBIXXUZZLP-BQJUDKOJSA-N 1 3 361.599 3.912 20 0 FHADHO C[C@H](N[C@@H]1CCCC[C@H]1C[NH3+])c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000423285163 943463781 /nfs/dbraw/zinc/46/37/81/943463781.db2.gz XSRCWWDMZCJMLP-TXJVSEOTSA-N 1 3 364.505 3.942 20 0 FHADHO C[C@H]([NH3+])c1ccc(CN[C@@H](C)c2ccc(OCc3nccn3C)cc2)cc1 ZINC000423291904 943465912 /nfs/dbraw/zinc/46/59/12/943465912.db2.gz KLQXFOQFYKAIBX-IRXDYDNUSA-N 1 3 364.493 3.870 20 0 FHADHO COCCOc1ccc([C@H](C)NCc2ccc([C@@H](C)[NH3+])cc2)cc1OC ZINC000423292962 943467305 /nfs/dbraw/zinc/46/73/05/943467305.db2.gz PDMIYOXVKQLGQP-CVEARBPZSA-N 1 3 358.482 3.591 20 0 FHADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H](N)CC2CCCCC2)CC1 ZINC000423368637 943493706 /nfs/dbraw/zinc/49/37/06/943493706.db2.gz BGCOUPMJYHCLMN-UWJYYQICSA-N 1 3 357.542 3.626 20 0 FHADHO COCC1(CN[C@@H](C)c2csc(-c3ccccc3F)n2)CC[NH2+]CC1 ZINC000423413151 943510905 /nfs/dbraw/zinc/51/09/05/943510905.db2.gz YLEAFKGRHPNFIX-AWEZNQCLSA-N 1 3 363.502 3.616 20 0 FHADHO COCC1(CN[C@H](C)c2csc(-c3ccccc3F)n2)CC[NH2+]CC1 ZINC000423413152 943510971 /nfs/dbraw/zinc/51/09/71/943510971.db2.gz YLEAFKGRHPNFIX-CQSZACIVSA-N 1 3 363.502 3.616 20 0 FHADHO C[C@@H](CCCc1cccnc1)[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000423473732 943525659 /nfs/dbraw/zinc/52/56/59/943525659.db2.gz NVUUIEVAKKKXGF-RBDMOPTHSA-N 1 3 355.501 3.915 20 0 FHADHO CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000423519187 943544025 /nfs/dbraw/zinc/54/40/25/943544025.db2.gz DARCNVYDTUVWHU-BEUFSINWSA-N 1 3 372.553 3.768 20 0 FHADHO COc1ccc(C[C@H](C)[NH2+]CC2(N)C3CC4CC(C3)CC2C4)c(C)c1OC ZINC000423526511 943547448 /nfs/dbraw/zinc/54/74/48/943547448.db2.gz LLJLOBHPMIFIMJ-ADJVZMAZSA-N 1 3 372.553 3.686 20 0 FHADHO [NH3+]C1(CN[C@@H]2CCc3c2c(F)ccc3F)CCN(Cc2ccccc2)CC1 ZINC000423578172 943562299 /nfs/dbraw/zinc/56/22/99/943562299.db2.gz UASKEFGGQPEWHM-HXUWFJFHSA-N 1 3 371.475 3.535 20 0 FHADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(CCCc2c(Cl)cccc2Cl)CC1 ZINC000414765717 943640455 /nfs/dbraw/zinc/64/04/55/943640455.db2.gz CBMHKRNECQSDAL-MSOLQXFVSA-N 1 3 357.325 3.754 20 0 FHADHO C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@@H]2[NH2+]C1CCNCC1 ZINC000414775454 943736882 /nfs/dbraw/zinc/73/68/82/943736882.db2.gz CRZNGPXPMFSFGN-QCBQRGATSA-N 1 3 354.538 3.959 20 0 FHADHO Cc1ccc(-c2ncc(CN3CCC([C@@H]4C[C@H]([NH3+])CCO4)CC3)s2)cc1 ZINC000515373800 943819094 /nfs/dbraw/zinc/81/90/94/943819094.db2.gz VLBNIBDNNGFESP-QUCCMNQESA-N 1 3 371.550 3.837 20 0 FHADHO CC[NH+]1CCC(CN[C@H](C)c2ccc(OC)cc2Br)CC1 ZINC000515367003 943830743 /nfs/dbraw/zinc/83/07/43/943830743.db2.gz DMYCSQIHUXHRQA-CYBMUJFWSA-N 1 3 355.320 3.840 20 0 FHADHO C[C@H]1C[N@H+](CCCN[C@H](Cc2ccncc2)c2cccs2)CCCO1 ZINC000424279034 943833889 /nfs/dbraw/zinc/83/38/89/943833889.db2.gz JWEPIDZNDRBXRT-PKOBYXMFSA-N 1 3 359.539 3.517 20 0 FHADHO C[C@H]1C[N@@H+](CCCN[C@H](Cc2ccncc2)c2cccs2)CCCO1 ZINC000424279034 943833892 /nfs/dbraw/zinc/83/38/92/943833892.db2.gz JWEPIDZNDRBXRT-PKOBYXMFSA-N 1 3 359.539 3.517 20 0 FHADHO Cc1ccncc1CCC[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000516962708 943867971 /nfs/dbraw/zinc/86/79/71/943867971.db2.gz DWENKFTYTTYGJV-WOJBJXKFSA-N 1 3 359.558 3.534 20 0 FHADHO CCN(C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)[C@H]1CCCC[C@@H]1C ZINC000516979992 943881140 /nfs/dbraw/zinc/88/11/40/943881140.db2.gz UGEFMJBHTYNYIS-RXVVDRJESA-N 1 3 363.590 3.610 20 0 FHADHO Cc1ccc([C@H](CNC(=O)Nc2cc(C)cc(C[NH3+])c2)N2CCCC2)cc1 ZINC000424438200 943914484 /nfs/dbraw/zinc/91/44/84/943914484.db2.gz PKFPBYHHEGUNIU-NRFANRHFSA-N 1 3 366.509 3.721 20 0 FHADHO COc1ccc(C(=O)Nc2cccc(CN[C@@H]3CCCC[C@@H]3C[NH3+])c2)cc1 ZINC000414809088 944077346 /nfs/dbraw/zinc/07/73/46/944077346.db2.gz TXQJSRUPXFDJJX-WIYYLYMNSA-N 1 3 367.493 3.555 20 0 FHADHO COc1cc(CN[C@@H]2CCCC[C@H]2C[NH3+])ccc1OCc1cccs1 ZINC000414814963 944122129 /nfs/dbraw/zinc/12/21/29/944122129.db2.gz ZQAKBCGYHJFVNK-FUHWJXTLSA-N 1 3 360.523 3.943 20 0 FHADHO CN1CCN(CC2(C)CC[NH+]([C@H]3CC[C@@](C)(c4ccccc4)C3)CC2)CC1 ZINC000437969586 944259059 /nfs/dbraw/zinc/25/90/59/944259059.db2.gz JEVDLPMUTBTYCC-LADGPHEKSA-N 1 3 369.597 3.846 20 0 FHADHO Cc1ccc(NC(=O)C[C@@H](C)NC[C@@H]2CC[N@@H+](C(C)C)C2)c(Cl)c1 ZINC000516118023 944501638 /nfs/dbraw/zinc/50/16/38/944501638.db2.gz QSBJXNOJTQTLAH-CVEARBPZSA-N 1 3 351.922 3.685 20 0 FHADHO Cc1ccc(NC(=O)C[C@@H](C)NC[C@@H]2CC[N@H+](C(C)C)C2)c(Cl)c1 ZINC000516118023 944501640 /nfs/dbraw/zinc/50/16/40/944501640.db2.gz QSBJXNOJTQTLAH-CVEARBPZSA-N 1 3 351.922 3.685 20 0 FHADHO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCN(C(C)C)C2)c(Cl)c1 ZINC000516118023 944501644 /nfs/dbraw/zinc/50/16/44/944501644.db2.gz QSBJXNOJTQTLAH-CVEARBPZSA-N 1 3 351.922 3.685 20 0 FHADHO CCCN1CCC([NH2+]Cc2ccc(CNC(=O)OC(C)(C)C)cc2)CC1 ZINC000311312508 944633790 /nfs/dbraw/zinc/63/37/90/944633790.db2.gz RRCLKOWVOYEZDV-UHFFFAOYSA-N 1 3 361.530 3.675 20 0 FHADHO C[C@H]1C[NH+](CCC2CCN(c3ccnc4ccccc43)CC2)C[C@H](C)O1 ZINC000426392488 944639632 /nfs/dbraw/zinc/63/96/32/944639632.db2.gz AOCVHPHJABYPKI-ROUUACIJSA-N 1 3 353.510 3.951 20 0 FHADHO c1ccc(CN2C[C@H](C[NH2+]C[C@@H]3CC=CCC3)C3(C2)CCOCC3)cc1 ZINC000550270242 944649378 /nfs/dbraw/zinc/64/93/78/944649378.db2.gz KJWSUSWKMLNTPU-IRLDBZIGSA-N 1 3 354.538 3.861 20 0 FHADHO CC[C@H]1CN(Cc2ccccc2C[N@@H+]2CCCO[C@@H](CC)C2)CCCO1 ZINC000439470758 944649867 /nfs/dbraw/zinc/64/98/67/944649867.db2.gz DQYKDPDRTLISGP-VXKWHMMOSA-N 1 3 360.542 3.688 20 0 FHADHO CC[C@H]1CN(Cc2ccccc2C[N@H+]2CCCO[C@@H](CC)C2)CCCO1 ZINC000439470758 944649874 /nfs/dbraw/zinc/64/98/74/944649874.db2.gz DQYKDPDRTLISGP-VXKWHMMOSA-N 1 3 360.542 3.688 20 0 FHADHO FC(F)(F)CCCN1CC2(C1)CC[NH+](Cc1cccc3[nH]cnc31)CC2 ZINC001279109692 944676429 /nfs/dbraw/zinc/67/64/29/944676429.db2.gz HGGGLGYRJUUSNN-UHFFFAOYSA-N 1 3 366.431 3.803 20 0 FHADHO Brc1ccccc1CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167961401 944753070 /nfs/dbraw/zinc/75/30/70/944753070.db2.gz JTNBLQXBVWLNRY-AYHJJNSGSA-N 1 3 363.343 3.987 20 0 FHADHO Brc1ccccc1CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167961401 944753076 /nfs/dbraw/zinc/75/30/76/944753076.db2.gz JTNBLQXBVWLNRY-AYHJJNSGSA-N 1 3 363.343 3.987 20 0 FHADHO C[C@@H]1CN(CCC2CC[NH+](CCCOc3ccccc3)CC2)C[C@H](C)O1 ZINC000426775171 944792101 /nfs/dbraw/zinc/79/21/01/944792101.db2.gz RPIPBHHVGZZOPB-BGYRXZFFSA-N 1 3 360.542 3.667 20 0 FHADHO CC(C)OCCCN1CCCC2(CCC[N@H+](CCCOC(C)C)C2)C1 ZINC000518951879 944962205 /nfs/dbraw/zinc/96/22/05/944962205.db2.gz DXBUUTXGFZNKRH-UHFFFAOYSA-N 1 3 354.579 3.795 20 0 FHADHO CC(C)OCCCN1CCCC2(CCC[N@@H+](CCCOC(C)C)C2)C1 ZINC000518951879 944962206 /nfs/dbraw/zinc/96/22/06/944962206.db2.gz DXBUUTXGFZNKRH-UHFFFAOYSA-N 1 3 354.579 3.795 20 0 FHADHO C[C@@H]1C[C@@H](N2CCC[C@@]3(CCCC(=O)N3)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168048176 945393391 /nfs/dbraw/zinc/39/33/91/945393391.db2.gz UXBHMMIOEPABDM-QRICJDHISA-N 1 3 369.553 3.563 20 0 FHADHO C[C@@H]1C[C@@H](N2CCC[C@@]3(CCCC(=O)N3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168048176 945393397 /nfs/dbraw/zinc/39/33/97/945393397.db2.gz UXBHMMIOEPABDM-QRICJDHISA-N 1 3 369.553 3.563 20 0 FHADHO CCO[C@@H]1CCN(CC2(C[N@@H+]3CC[C@H](OCC)[C@H](C)C3)CCC2)C[C@H]1C ZINC000660719261 945420516 /nfs/dbraw/zinc/42/05/16/945420516.db2.gz BCVKYVDWXMHYRV-NCYKPQTJSA-N 1 3 366.590 3.651 20 0 FHADHO CCO[C@@H]1CCN(CC2(C[N@H+]3CC[C@H](OCC)[C@H](C)C3)CCC2)C[C@H]1C ZINC000660719261 945420519 /nfs/dbraw/zinc/42/05/19/945420519.db2.gz BCVKYVDWXMHYRV-NCYKPQTJSA-N 1 3 366.590 3.651 20 0 FHADHO CCO[C@@H]1CC[N@@H+](CC2(CN3CC[C@H](OCC)[C@H](C)C3)CCC2)C[C@H]1C ZINC000660719261 945420524 /nfs/dbraw/zinc/42/05/24/945420524.db2.gz BCVKYVDWXMHYRV-NCYKPQTJSA-N 1 3 366.590 3.651 20 0 FHADHO CCO[C@@H]1CC[N@H+](CC2(CN3CC[C@H](OCC)[C@H](C)C3)CCC2)C[C@H]1C ZINC000660719261 945420526 /nfs/dbraw/zinc/42/05/26/945420526.db2.gz BCVKYVDWXMHYRV-NCYKPQTJSA-N 1 3 366.590 3.651 20 0 FHADHO CCC[C@@H](NCc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccsc1 ZINC000187693853 945561588 /nfs/dbraw/zinc/56/15/88/945561588.db2.gz BSNBGFWXVWQDKJ-LJQANCHMSA-N 1 3 359.539 3.671 20 0 FHADHO CCN1CCN([C@@H](C)C[NH2+]Cc2ccc(Oc3cccc(F)c3)cc2)CC1 ZINC000443978283 945618397 /nfs/dbraw/zinc/61/83/97/945618397.db2.gz LGAIQSUQKJJERH-SFHVURJKSA-N 1 3 371.500 3.734 20 0 FHADHO Cc1noc2ncc(C[NH2+][C@@H](C)[C@H]3CCN(Cc4ccccc4)C3)cc12 ZINC000894422993 945621555 /nfs/dbraw/zinc/62/15/55/945621555.db2.gz NOHASCAZABYDRR-KXBFYZLASA-N 1 3 350.466 3.531 20 0 FHADHO CCOc1cc2nccc(N3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)c2cc1OCC ZINC000301700504 945922590 /nfs/dbraw/zinc/92/25/90/945922590.db2.gz FLBHWXAFKCYAEN-APWZRJJASA-N 1 3 369.509 3.953 20 0 FHADHO CCOc1cc2nccc(N3CC[C@H]4[C@H](CCC[N@H+]4C)C3)c2cc1OCC ZINC000301700504 945922592 /nfs/dbraw/zinc/92/25/92/945922592.db2.gz FLBHWXAFKCYAEN-APWZRJJASA-N 1 3 369.509 3.953 20 0 FHADHO CC(C)[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)NC(=O)OC(C)(C)C ZINC001167973101 945923811 /nfs/dbraw/zinc/92/38/11/945923811.db2.gz GPFFFEMMNCFNNE-IPQPSQTFSA-N 1 3 365.562 3.531 20 0 FHADHO CC(C)[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)NC(=O)OC(C)(C)C ZINC001167973101 945923821 /nfs/dbraw/zinc/92/38/21/945923821.db2.gz GPFFFEMMNCFNNE-IPQPSQTFSA-N 1 3 365.562 3.531 20 0 FHADHO CN(C)Cc1cccc(NC(=O)NCC[NH+]2CCC3(CCCCC3)CC2)c1 ZINC000441317418 946429535 /nfs/dbraw/zinc/42/95/35/946429535.db2.gz XNMYJZAPMQXBFL-UHFFFAOYSA-N 1 3 372.557 3.916 20 0 FHADHO CN(C)[C@@H](CNC(=O)C[NH2+][C@@H](c1ccccc1)C1CCC1)c1ccccc1 ZINC000475128980 946434824 /nfs/dbraw/zinc/43/48/24/946434824.db2.gz ICYGABYOTLUUKJ-GMAHTHKFSA-N 1 3 365.521 3.537 20 0 FHADHO Cc1ccc([C@@H]2CCC[C@H]2N(C)CC(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000441359556 946485307 /nfs/dbraw/zinc/48/53/07/946485307.db2.gz RRGXITAVODVJKX-FCHUYYIVSA-N 1 3 371.569 3.552 20 0 FHADHO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000520363536 946499767 /nfs/dbraw/zinc/49/97/67/946499767.db2.gz MMFQAECVUTXMMS-OALUTQOASA-N 1 3 371.569 3.769 20 0 FHADHO CC[C@H](NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccccc1 ZINC000112545895 946656237 /nfs/dbraw/zinc/65/62/37/946656237.db2.gz OBNMWGTVDLGRPQ-VXKWHMMOSA-N 1 3 365.521 3.625 20 0 FHADHO CC[C@H](NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccccc1 ZINC000112545895 946656247 /nfs/dbraw/zinc/65/62/47/946656247.db2.gz OBNMWGTVDLGRPQ-VXKWHMMOSA-N 1 3 365.521 3.625 20 0 FHADHO CC(C)Oc1ccc(CN2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1Cl ZINC000652350358 946894921 /nfs/dbraw/zinc/89/49/21/946894921.db2.gz UMPZDEBXEFFIRW-ZWOKBUDYSA-N 1 3 366.933 3.846 20 0 FHADHO COc1ccc(-c2cnc(CN3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)o2)cc1 ZINC000647978258 946939161 /nfs/dbraw/zinc/93/91/61/946939161.db2.gz OZLVKOLFLKDKDA-ROUUACIJSA-N 1 3 355.482 3.562 20 0 FHADHO C[NH+](C)Cc1ccc(NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)cc1 ZINC000523853910 947655838 /nfs/dbraw/zinc/65/58/38/947655838.db2.gz ZSGGFGURPPMNHG-IBGZPJMESA-N 1 3 369.484 3.738 20 0 FHADHO COc1ccc(OC)c([C@@H]2CCCN2Cc2cccc3c2CC[NH2+]C3)c1 ZINC000662249292 947671518 /nfs/dbraw/zinc/67/15/18/947671518.db2.gz SNJOFGKDZPRLRM-NRFANRHFSA-N 1 3 352.478 3.687 20 0 FHADHO Fc1ccc(OC2CCN(Cc3cccc4c3CC[NH2+]C4)CC2)c(F)c1 ZINC000662251604 947674279 /nfs/dbraw/zinc/67/42/79/947674279.db2.gz GHPOQIRPJLKNCJ-UHFFFAOYSA-N 1 3 358.432 3.654 20 0 FHADHO Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662264584 947684485 /nfs/dbraw/zinc/68/44/85/947684485.db2.gz RIJUZZLELLXYAY-NVXWUHKLSA-N 1 3 357.523 3.632 20 0 FHADHO CC(C)c1ccccc1NC(=O)[C@@H](C)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662294026 947716330 /nfs/dbraw/zinc/71/63/30/947716330.db2.gz AEVSJKUWFJASEU-MJGOQNOKSA-N 1 3 357.542 3.849 20 0 FHADHO Cc1ccccc1-c1noc([C@@H](C)N2CCC[C@H](C3CC[NH2+]CC3)C2)n1 ZINC000662295219 947716575 /nfs/dbraw/zinc/71/65/75/947716575.db2.gz GCMOZBQEYRORSF-AEFFLSMTSA-N 1 3 354.498 3.818 20 0 FHADHO Cc1cc(-c2noc([C@H](C)N3CCC[C@H](C4CC[NH2+]CC4)C3)n2)ccc1F ZINC000662296012 947722470 /nfs/dbraw/zinc/72/24/70/947722470.db2.gz JVRNCTUSSNTEMS-YJBOKZPZSA-N 1 3 372.488 3.957 20 0 FHADHO CCc1cccc(CC)c1NC(=O)[C@@H](C)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662297273 947724098 /nfs/dbraw/zinc/72/40/98/947724098.db2.gz OXZVURNODCHIOC-UTKZUKDTSA-N 1 3 371.569 3.850 20 0 FHADHO CC(C)C[C@H](CNC(=O)c1cccc2c1CNC2)[NH2+][C@@H](C)c1ccccc1 ZINC000662454100 947824203 /nfs/dbraw/zinc/82/42/03/947824203.db2.gz IYISPTPLAHTPBO-FXAWDEMLSA-N 1 3 365.521 3.785 20 0 FHADHO CC(C)C[C@@H](CNC(=O)c1cccc2c1CNC2)[NH2+][C@@H](C)c1ccccc1 ZINC000662454102 947824923 /nfs/dbraw/zinc/82/49/23/947824923.db2.gz IYISPTPLAHTPBO-PXNSSMCTSA-N 1 3 365.521 3.785 20 0 FHADHO CCc1cc(OC)ccc1CNCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000500442137 947878992 /nfs/dbraw/zinc/87/89/92/947878992.db2.gz SLARCJKRLXXKQQ-JOCHJYFZSA-N 1 3 368.521 3.504 20 0 FHADHO CCc1cc(OC)ccc1CNCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000500442137 947878995 /nfs/dbraw/zinc/87/89/95/947878995.db2.gz SLARCJKRLXXKQQ-JOCHJYFZSA-N 1 3 368.521 3.504 20 0 FHADHO COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCCN(CC3CC3)C2)c(C)c1OC ZINC000663466600 948058466 /nfs/dbraw/zinc/05/84/66/948058466.db2.gz VYPKOXUQDUSAOY-APWZRJJASA-N 1 3 360.542 3.655 20 0 FHADHO COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCCN(CC3CC3)C2)c(C)c1OC ZINC000663466603 948058696 /nfs/dbraw/zinc/05/86/96/948058696.db2.gz VYPKOXUQDUSAOY-VQIMIIECSA-N 1 3 360.542 3.655 20 0 FHADHO Cc1ccc(NC(=O)C[C@@H](C)NC[C@@H]2CCC[N@H+](CC3CC3)C2)c(C)c1 ZINC000663466783 948058844 /nfs/dbraw/zinc/05/88/44/948058844.db2.gz ACFHXXORCUQQTB-QUCCMNQESA-N 1 3 357.542 3.732 20 0 FHADHO Cc1ccc(NC(=O)C[C@@H](C)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)c(C)c1 ZINC000663466783 948058849 /nfs/dbraw/zinc/05/88/49/948058849.db2.gz ACFHXXORCUQQTB-QUCCMNQESA-N 1 3 357.542 3.732 20 0 FHADHO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCCN(CC3CC3)C2)c(C)c1 ZINC000663466783 948058858 /nfs/dbraw/zinc/05/88/58/948058858.db2.gz ACFHXXORCUQQTB-QUCCMNQESA-N 1 3 357.542 3.732 20 0 FHADHO OC1CCN(Cc2ccccc2C[NH2+]C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000512024388 948214351 /nfs/dbraw/zinc/21/43/51/948214351.db2.gz MUSIKPULJUWVKU-ARJAWSKDSA-N 1 3 372.459 3.725 20 0 FHADHO OC1CC[NH+](Cc2ccccc2CNC/C=C\c2ccc(F)c(F)c2)CC1 ZINC000512024388 948214359 /nfs/dbraw/zinc/21/43/59/948214359.db2.gz MUSIKPULJUWVKU-ARJAWSKDSA-N 1 3 372.459 3.725 20 0 FHADHO COc1ccc2cc([C@H](C)NCCC[N@@H+]3CCCO[C@H](C)C3)ccc2c1 ZINC000432414963 948365528 /nfs/dbraw/zinc/36/55/28/948365528.db2.gz AYZXDOYMNHONEG-MSOLQXFVSA-N 1 3 356.510 4.000 20 0 FHADHO COc1ccc2cc([C@H](C)NCCC[N@H+]3CCCO[C@H](C)C3)ccc2c1 ZINC000432414963 948365534 /nfs/dbraw/zinc/36/55/34/948365534.db2.gz AYZXDOYMNHONEG-MSOLQXFVSA-N 1 3 356.510 4.000 20 0 FHADHO COCc1ccc(CN2CCC[C@H]([N@H+](C)Cc3ccccn3)CC2)cc1 ZINC000275707790 522973963 /nfs/dbraw/zinc/97/39/63/522973963.db2.gz NPTULYVORQHDLN-QFIPXVFZSA-N 1 3 353.510 3.715 20 0 FHADHO COCc1ccc(CN2CCC[C@H]([N@@H+](C)Cc3ccccn3)CC2)cc1 ZINC000275707790 522973969 /nfs/dbraw/zinc/97/39/69/522973969.db2.gz NPTULYVORQHDLN-QFIPXVFZSA-N 1 3 353.510 3.715 20 0 FHADHO CCOC(=O)[C@@H]1CC[C@@H](NCc2cccc3c2CC[NH2+]C3)c2ccccc21 ZINC000602019028 567901532 /nfs/dbraw/zinc/90/15/32/567901532.db2.gz DNPKYRFGSWBTBJ-FGZHOGPDSA-N 1 3 364.489 3.604 20 0 FHADHO CCN(C(=O)[C@@H](C)N1CCC(C[NH+](CC)CC)CC1)C1CCCCC1 ZINC000521428628 568020380 /nfs/dbraw/zinc/02/03/80/568020380.db2.gz LNEHUDUSZWPNHH-GOSISDBHSA-N 1 3 351.579 3.610 20 0 FHADHO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c(CN(C)C)c1 ZINC000603694952 568136773 /nfs/dbraw/zinc/13/67/73/568136773.db2.gz OWVCNFOWLPFSBJ-FQEVSTJZSA-N 1 3 365.521 3.907 20 0 FHADHO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c(CN(C)C)c1 ZINC000603694952 568136774 /nfs/dbraw/zinc/13/67/74/568136774.db2.gz OWVCNFOWLPFSBJ-FQEVSTJZSA-N 1 3 365.521 3.907 20 0 FHADHO COc1ccc(-c2nc(CN3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cs2)cc1 ZINC000563135874 568274534 /nfs/dbraw/zinc/27/45/34/568274534.db2.gz VLNCUCRQCLVIJF-IAGOWNOFSA-N 1 3 357.523 3.640 20 0 FHADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2ccc(-c3ccc(Cl)cc3)o2)CC1 ZINC000563136352 568275621 /nfs/dbraw/zinc/27/56/21/568275621.db2.gz YRNUBTKYEQJSCW-QUCCMNQESA-N 1 3 360.885 3.928 20 0 FHADHO CC[NH+](CC)Cc1cccc(CN[C@@H]2CCCN(c3ccccc3)C2=O)c1 ZINC000604412792 568277637 /nfs/dbraw/zinc/27/76/37/568277637.db2.gz JELOFTIRXMREKH-JOCHJYFZSA-N 1 3 365.521 3.814 20 0 FHADHO Fc1cccc(CN2CC[C@]23CCCN(c2[nH+]ccc4[nH]ccc42)C3)c1 ZINC001164995486 722193185 /nfs/dbraw/zinc/19/31/85/722193185.db2.gz VFFWJPZCVYGLKA-NRFANRHFSA-N 1 3 350.441 3.947 20 0 FHADHO Fc1cccc(CN2CC[C@@]23CCCN(c2cc4[nH]ccc4c[nH+]2)C3)c1 ZINC001164992876 722193905 /nfs/dbraw/zinc/19/39/05/722193905.db2.gz BRCXUGYLDPFGSV-OAQYLSRUSA-N 1 3 350.441 3.947 20 0 FHADHO C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)N1CCCCCC1 ZINC000511772246 945069399 /nfs/dbraw/zinc/06/93/99/945069399.db2.gz UJZOIQUFTMNKBF-TZIWHRDSSA-N 1 3 371.569 3.668 20 0 FHADHO C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)N1CCCCCC1 ZINC000511772246 945069410 /nfs/dbraw/zinc/06/94/10/945069410.db2.gz UJZOIQUFTMNKBF-TZIWHRDSSA-N 1 3 371.569 3.668 20 0 FHADHO [NH3+][C@H]1CCO[C@@H](C2CCN(Cc3cnc(-c4ccccc4)s3)CC2)C1 ZINC000583131514 937153284 /nfs/dbraw/zinc/15/32/84/937153284.db2.gz PVQOVNJIXDWLOG-PKOBYXMFSA-N 1 3 357.523 3.528 20 0 FHADHO CCC1CCC([N@H+](CC(=O)NC[C@H](c2ccccc2)N(C)C)C2CC2)CC1 ZINC001167070147 928197461 /nfs/dbraw/zinc/19/74/61/928197461.db2.gz DDNPLOBSIGTXNE-ZOGYUUGASA-N 1 3 371.569 3.839 20 0 FHADHO CCC1CCC([N@@H+](CC(=O)NC[C@H](c2ccccc2)N(C)C)C2CC2)CC1 ZINC001167070147 928197469 /nfs/dbraw/zinc/19/74/69/928197469.db2.gz DDNPLOBSIGTXNE-ZOGYUUGASA-N 1 3 371.569 3.839 20 0 FHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@]3(C)CC(C)C)CC2)CC1 ZINC000655123236 928212991 /nfs/dbraw/zinc/21/29/91/928212991.db2.gz MLLXVKOPEHIONQ-JOCHJYFZSA-N 1 3 363.590 3.610 20 0 FHADHO COCC[NH+]1CCC(N[C@@H](C)c2ccc(SC(F)F)c(OC)c2)CC1 ZINC000154880197 929445035 /nfs/dbraw/zinc/44/50/35/929445035.db2.gz FEWUDMXMQOFUOF-ZDUSSCGKSA-N 1 3 374.497 3.771 20 0 FHADHO CC[NH+]1CCN(Cc2ccc(CN[C@@H](C)c3cccnc3Cl)cc2)CC1 ZINC000160313318 929703185 /nfs/dbraw/zinc/70/31/85/929703185.db2.gz OUCWKBRDLGQYSX-KRWDZBQOSA-N 1 3 372.944 3.723 20 0 FHADHO C[C@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc([S@](C)=O)cc1 ZINC000162924151 937375993 /nfs/dbraw/zinc/37/59/93/937375993.db2.gz HJRFRNJPFWMBPK-SSOJOUAXSA-N 1 3 356.535 3.871 20 0 FHADHO CC[NH+]1CCN(Cc2ccccc2CN[C@@H](C)c2cccnc2Cl)CC1 ZINC000160345311 930032559 /nfs/dbraw/zinc/03/25/59/930032559.db2.gz NTBVYFLJNMGTCA-KRWDZBQOSA-N 1 3 372.944 3.723 20 0 FHADHO CN(CCC(=O)Nc1ccccc1-c1ccccc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000152351004 930263489 /nfs/dbraw/zinc/26/34/89/930263489.db2.gz YPKIGDSJJYXWIX-LJQANCHMSA-N 1 3 365.521 3.956 20 0 FHADHO CN(CCC(=O)Nc1ccccc1-c1ccccc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152351004 930263493 /nfs/dbraw/zinc/26/34/93/930263493.db2.gz YPKIGDSJJYXWIX-LJQANCHMSA-N 1 3 365.521 3.956 20 0 FHADHO C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)c1ccc(NC2=NCCC2)cc1 ZINC001167393473 930627520 /nfs/dbraw/zinc/62/75/20/930627520.db2.gz TXJHSXZUHCXIEK-VQIMIIECSA-N 1 3 356.514 3.626 20 0 FHADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)C3CCC(C)(C)CC3)CC2)CC1 ZINC000580656516 930975468 /nfs/dbraw/zinc/97/54/68/930975468.db2.gz MMOUSXWGRIULII-UHFFFAOYSA-N 1 3 363.590 3.610 20 0 FHADHO Cc1nn(Cc2ccccc2Cl)c(C)c1CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000581489262 932161618 /nfs/dbraw/zinc/16/16/18/932161618.db2.gz SKYRWIXFOFLSSX-HDICACEKSA-N 1 3 372.944 3.633 20 0 FHADHO c1ccc(CN2CC[C@H]([NH2+]C3CCN(C4CCC4)CC3)CC23CC3)cc1 ZINC000647176314 932589907 /nfs/dbraw/zinc/58/99/07/932589907.db2.gz BNXXDWQHCDXJEU-NRFANRHFSA-N 1 3 353.554 3.790 20 0 FHADHO CN1Cc2ccccc2[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)C1 ZINC000647196770 932946172 /nfs/dbraw/zinc/94/61/72/932946172.db2.gz MJUILZRKNKFFAM-FYYLOGMGSA-N 1 3 361.533 3.960 20 0 FHADHO C[C@@H]1CC[C@@H](NCCC[N@@H+]2CCCC[C@H]2C)CN1C(=O)OC(C)(C)C ZINC000399117613 933010891 /nfs/dbraw/zinc/01/08/91/933010891.db2.gz GLIOOYSTDOJXMS-KZNAEPCWSA-N 1 3 353.551 3.629 20 0 FHADHO C[C@@H]1CC[C@@H](NCCC[N@H+]2CCCC[C@H]2C)CN1C(=O)OC(C)(C)C ZINC000399117613 933010897 /nfs/dbraw/zinc/01/08/97/933010897.db2.gz GLIOOYSTDOJXMS-KZNAEPCWSA-N 1 3 353.551 3.629 20 0 FHADHO C[C@@H]1CCCCN1CCC[NH2+][C@@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000399117613 933010903 /nfs/dbraw/zinc/01/09/03/933010903.db2.gz GLIOOYSTDOJXMS-KZNAEPCWSA-N 1 3 353.551 3.629 20 0 FHADHO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCC2(CC[NH2+]C2)CC1 ZINC000431029040 933702846 /nfs/dbraw/zinc/70/28/46/933702846.db2.gz XECBYZUIXDZRQL-SFHVURJKSA-N 1 3 363.505 3.756 20 0 FHADHO CCC[C@@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)N(C)C)c1ccccc1 ZINC000548442397 933792280 /nfs/dbraw/zinc/79/22/80/933792280.db2.gz YOTOVSLIDIBFLU-RTWAWAEBSA-N 1 3 353.510 3.537 20 0 FHADHO CC(C)N1CCC([NH2+]CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000236599450 934743437 /nfs/dbraw/zinc/74/34/37/934743437.db2.gz CTZYOTKHLZLUMN-UHFFFAOYSA-N 1 3 365.315 3.687 20 0 FHADHO CC(C)(CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1Br ZINC000090590732 934879756 /nfs/dbraw/zinc/87/97/56/934879756.db2.gz MAZRFBUVRHIZKX-HUUCEWRRSA-N 1 3 351.332 3.943 20 0 FHADHO CC(C)(CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1Br ZINC000090590732 934879759 /nfs/dbraw/zinc/87/97/59/934879759.db2.gz MAZRFBUVRHIZKX-HUUCEWRRSA-N 1 3 351.332 3.943 20 0 FHADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(Br)cc1 ZINC000537969298 934993054 /nfs/dbraw/zinc/99/30/54/934993054.db2.gz SVJWVGSTOOAZCM-OAGGEKHMSA-N 1 3 369.347 3.989 20 0 FHADHO c1cc(C[NH+]2CCCC2)ccc1CNCc1ccc(O[C@@H]2CCOC2)cc1 ZINC000657299023 935008629 /nfs/dbraw/zinc/00/86/29/935008629.db2.gz ZDQJXPHZPPPKIP-HSZRJFAPSA-N 1 3 366.505 3.740 20 0 FHADHO CCN(CCC[NH+](CC)CC)C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000472109959 935053384 /nfs/dbraw/zinc/05/33/84/935053384.db2.gz FXADVXDDOAXTDH-TZIWHRDSSA-N 1 3 374.573 3.585 20 0 FHADHO CC[NH+](CC)Cc1cccc(CNCc2ccc(O[C@@H]3CCOC3)cc2)c1 ZINC000657315338 935154296 /nfs/dbraw/zinc/15/42/96/935154296.db2.gz QTKIVFBCCBOOGG-HSZRJFAPSA-N 1 3 368.521 3.986 20 0 FHADHO COCc1csc(CNC[C@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000657338778 935272363 /nfs/dbraw/zinc/27/23/63/935272363.db2.gz UMSQAHQIYSJXIY-OAHLLOKOSA-N 1 3 350.553 3.958 20 0 FHADHO COCc1csc(CNC[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000657338778 935272368 /nfs/dbraw/zinc/27/23/68/935272368.db2.gz UMSQAHQIYSJXIY-OAHLLOKOSA-N 1 3 350.553 3.958 20 0 FHADHO C[C@@H]1CCCCN1CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000707947601 935309211 /nfs/dbraw/zinc/30/92/11/935309211.db2.gz FDVKYYJFNGQWFK-HCXYKTFWSA-N 1 3 365.562 3.629 20 0 FHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H](c1ccccc1Cl)N1CCCC1 ZINC000582414397 935670888 /nfs/dbraw/zinc/67/08/88/935670888.db2.gz GQMIQXUEYMJIOS-YCRPNKLZSA-N 1 3 372.944 3.990 20 0 FHADHO CCOc1ccc(CNCc2ccccc2C[N@@H+]2CCC[C@H]2CO)c(C)c1 ZINC000657428788 935703372 /nfs/dbraw/zinc/70/33/72/935703372.db2.gz BCUIHHISVKWRFP-QFIPXVFZSA-N 1 3 368.521 3.640 20 0 FHADHO CCOc1ccc(CNCc2ccccc2C[N@H+]2CCC[C@H]2CO)c(C)c1 ZINC000657428788 935703375 /nfs/dbraw/zinc/70/33/75/935703375.db2.gz BCUIHHISVKWRFP-QFIPXVFZSA-N 1 3 368.521 3.640 20 0 FHADHO CCOc1cccc(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)c1OC(F)F ZINC000582514072 935786218 /nfs/dbraw/zinc/78/62/18/935786218.db2.gz JFIYBQKTPLQNGR-MRXNPFEDSA-N 1 3 368.468 3.850 20 0 FHADHO Clc1cccc(Cl)c1CNCC1CC[NH+](C2CCOCC2)CC1 ZINC000657536908 935976495 /nfs/dbraw/zinc/97/64/95/935976495.db2.gz TZFUNTOIHODQSU-UHFFFAOYSA-N 1 3 357.325 3.974 20 0 FHADHO CCSc1cccc(CNCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c1 ZINC000657597021 936072871 /nfs/dbraw/zinc/07/28/71/936072871.db2.gz QRWDLYWYVFHWKV-HXUWFJFHSA-N 1 3 356.535 3.655 20 0 FHADHO CCSc1cccc(CNCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c1 ZINC000657597021 936072876 /nfs/dbraw/zinc/07/28/76/936072876.db2.gz QRWDLYWYVFHWKV-HXUWFJFHSA-N 1 3 356.535 3.655 20 0 FHADHO Fc1ccc(/C=C\C[NH2+]CC2CCN(Cc3ccncc3)CC2)c(F)c1 ZINC000657612957 936093779 /nfs/dbraw/zinc/09/37/79/936093779.db2.gz GTYPLDILUWLOGH-UPHRSURJSA-N 1 3 357.448 3.875 20 0 FHADHO c1c2ccncc2sc1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657613195 936093814 /nfs/dbraw/zinc/09/38/14/936093814.db2.gz HZTAGFHXFOTFJL-UHFFFAOYSA-N 1 3 352.507 3.693 20 0 FHADHO CC(C)Sc1ccc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000511195538 936100174 /nfs/dbraw/zinc/10/01/74/936100174.db2.gz DDEWFZWFCJXDHJ-WIYYLYMNSA-N 1 3 361.599 3.645 20 0 FHADHO CC(C)Sc1ccc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000511195538 936100177 /nfs/dbraw/zinc/10/01/77/936100177.db2.gz DDEWFZWFCJXDHJ-WIYYLYMNSA-N 1 3 361.599 3.645 20 0 FHADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccc(-c2ccc3c(c2)C[C@@H](C)O3)cc1 ZINC000582899175 936271131 /nfs/dbraw/zinc/27/11/31/936271131.db2.gz AJTLXIFXQSAXNO-LYZACZEUSA-N 1 3 366.505 3.519 20 0 FHADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(Cc3ccc(OC(F)F)c(Cl)c3)C2)C1 ZINC000650707178 938289137 /nfs/dbraw/zinc/28/91/37/938289137.db2.gz ZZQWVGHWNVABSF-VBQJREDUSA-N 1 3 374.859 3.660 20 0 FHADHO Cn1cnc2cc(C[NH2+]C[C@@H]3CN(Cc4ccccc4)CC34CCC4)ccc21 ZINC000657771811 938309747 /nfs/dbraw/zinc/30/97/47/938309747.db2.gz GNFAJBVCSJNEBS-OAQYLSRUSA-N 1 3 374.532 3.965 20 0 FHADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2Cc2cnc(-c3ccccc3)s2)C1 ZINC000650723396 938310697 /nfs/dbraw/zinc/31/06/97/938310697.db2.gz NHVMIVMVIIALSK-NZSAHSFTSA-N 1 3 357.523 3.671 20 0 FHADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2CCCc2c(F)cccc2Cl)C1 ZINC000650723521 938310799 /nfs/dbraw/zinc/31/07/99/938310799.db2.gz PNRBQSFRBBXMOG-NIKGAXFTSA-N 1 3 354.897 3.773 20 0 FHADHO CCCN1CC[C@@H](C[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)C1 ZINC000151141463 938411175 /nfs/dbraw/zinc/41/11/75/938411175.db2.gz RBYWUWSMQCVKDU-INIZCTEOSA-N 1 3 367.940 3.765 20 0 FHADHO C[C@@H](NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@@H](C)c1nc2ccccc2s1 ZINC000132972097 938552029 /nfs/dbraw/zinc/55/20/29/938552029.db2.gz VFLLELHICZDUDZ-ZACQAIPSSA-N 1 3 373.566 3.879 20 0 FHADHO C[C@@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000133039698 938556232 /nfs/dbraw/zinc/55/62/32/938556232.db2.gz KPWPEIMXWYNVCD-CABCVRRESA-N 1 3 356.432 3.857 20 0 FHADHO CN(C)Cc1c2ccccc2oc1C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000081245439 938721652 /nfs/dbraw/zinc/72/16/52/938721652.db2.gz GYEYCWQQLAHEHJ-UHFFFAOYSA-N 1 3 351.450 3.808 20 0 FHADHO COCC[NH+]1CCC(NCc2ccc(-c3ccc(OC)cc3)cc2)CC1 ZINC000090115112 938876685 /nfs/dbraw/zinc/87/66/85/938876685.db2.gz GMMUIJUVKBAKJK-UHFFFAOYSA-N 1 3 354.494 3.563 20 0 FHADHO C[NH+](C)CCOc1cc(CN[C@H]2CCCc3ccc(Cl)cc32)ccn1 ZINC000090937165 938879413 /nfs/dbraw/zinc/87/94/13/938879413.db2.gz IIDPRGATZVAPIH-IBGZPJMESA-N 1 3 359.901 3.843 20 0 FHADHO Cn1cnc2cc(C[N@@H+]3CC[C@]4(CCN(Cc5ccccc5)C4)C3)ccc21 ZINC000685443100 938986868 /nfs/dbraw/zinc/98/68/68/938986868.db2.gz WOUGZRVUKGGKKH-QHCPKHFHSA-N 1 3 360.505 3.671 20 0 FHADHO Cn1cnc2cc(C[N@H+]3CC[C@]4(CCN(Cc5ccccc5)C4)C3)ccc21 ZINC000685443100 938986869 /nfs/dbraw/zinc/98/68/69/938986869.db2.gz WOUGZRVUKGGKKH-QHCPKHFHSA-N 1 3 360.505 3.671 20 0 FHADHO CN(Cc1csc(Cl)c1Cl)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457114 938987947 /nfs/dbraw/zinc/98/79/47/938987947.db2.gz DPUUVOGJIYHAJN-AWEZNQCLSA-N 1 3 362.370 3.655 20 0 FHADHO Cc1cccc(CN2CCC3(CCC[N@@H+](CCN(C)C)C3)CC2)c1Cl ZINC001279670817 938997807 /nfs/dbraw/zinc/99/78/07/938997807.db2.gz FCSFKLBAYVVEBH-UHFFFAOYSA-N 1 3 363.977 3.888 20 0 FHADHO Cc1cccc(CN2CCC3(CCC[N@H+](CCN(C)C)C3)CC2)c1Cl ZINC001279670817 938997808 /nfs/dbraw/zinc/99/78/08/938997808.db2.gz FCSFKLBAYVVEBH-UHFFFAOYSA-N 1 3 363.977 3.888 20 0 FHADHO C[C@H](NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cc2ccncc2s1 ZINC000657925460 939007764 /nfs/dbraw/zinc/00/77/64/939007764.db2.gz NVGIBTCUKGELEX-BMGDILEWSA-N 1 3 359.539 3.715 20 0 FHADHO COC[C@H](CC1CCOCC1)[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000658019638 939018923 /nfs/dbraw/zinc/01/89/23/939018923.db2.gz UAADBRZXUIOVBU-GOTSBHOMSA-N 1 3 374.569 3.710 20 0 FHADHO Fc1cc2c(c(F)c1F)[C@H](NCC1CC[NH+](C3CCOCC3)CC1)CC2 ZINC000658069534 939021848 /nfs/dbraw/zinc/02/18/48/939021848.db2.gz GUBBWJRYMXFSHD-QGZVFWFLSA-N 1 3 368.443 3.572 20 0 FHADHO C[C@@H](NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccc(F)c(Cl)c1 ZINC000658141274 939035427 /nfs/dbraw/zinc/03/54/27/939035427.db2.gz SKTBIFSBCSDIKZ-KDOFPFPSSA-N 1 3 362.876 3.897 20 0 FHADHO C[C@@H](NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc(F)c(Cl)c1 ZINC000658141274 939035430 /nfs/dbraw/zinc/03/54/30/939035430.db2.gz SKTBIFSBCSDIKZ-KDOFPFPSSA-N 1 3 362.876 3.897 20 0 FHADHO COc1ccc2c(c1F)CC[C@@H]2[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658163942 939052133 /nfs/dbraw/zinc/05/21/33/939052133.db2.gz CAXBUYUSLJOIHZ-FQEVSTJZSA-N 1 3 369.484 3.718 20 0 FHADHO COc1ccc2c(c1)[C@H]([NH2+]CC1CCN(Cc3ccncc3)CC1)CC2 ZINC000658163755 939052364 /nfs/dbraw/zinc/05/23/64/939052364.db2.gz ASRQBQLXJQVNLR-JOCHJYFZSA-N 1 3 351.494 3.579 20 0 FHADHO COc1ccc2c(c1)[C@H]([NH2+]CC1CCN(Cc3ccncc3)CC1)CCC2 ZINC000658164758 939052601 /nfs/dbraw/zinc/05/26/01/939052601.db2.gz FHQCIFNQKPDVLB-HSZRJFAPSA-N 1 3 365.521 3.969 20 0 FHADHO Cc1c([C@@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)cnn1C(C)(C)C ZINC000658165756 939053091 /nfs/dbraw/zinc/05/30/91/939053091.db2.gz LJMFOZJMSAKRNL-QGZVFWFLSA-N 1 3 369.557 3.904 20 0 FHADHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccc(F)cc1N(C)C ZINC000658166690 939053656 /nfs/dbraw/zinc/05/36/56/939053656.db2.gz OAGSFWYSOGUUDC-QGZVFWFLSA-N 1 3 370.516 3.850 20 0 FHADHO COc1cc([C@@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)ccc1F ZINC000658166281 939054190 /nfs/dbraw/zinc/05/41/90/939054190.db2.gz NNNDIDJGPNWMEE-MRXNPFEDSA-N 1 3 357.473 3.792 20 0 FHADHO COC[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccc(Cl)cc1 ZINC000658167218 939054938 /nfs/dbraw/zinc/05/49/38/939054938.db2.gz QSVWNZNDLITMOX-NRFANRHFSA-N 1 3 373.928 3.924 20 0 FHADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@H]3CCC[C@@H]3Cc3cnn(C)c3)CC2)C1 ZINC000658237705 939079125 /nfs/dbraw/zinc/07/91/25/939079125.db2.gz YXSOHXRLQMDMMK-IVOMFYJKSA-N 1 3 358.574 3.764 20 0 FHADHO c1ccc(CN2CCCC[C@H](C[NH2+][C@@H]3CCOC4(CCOCC4)C3)C2)cc1 ZINC000312991809 945311471 /nfs/dbraw/zinc/31/14/71/945311471.db2.gz XTDCFNMHQCUAFU-FGZHOGPDSA-N 1 3 372.553 3.607 20 0 FHADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNCc3c[nH]c4nccnc34)cc2)C1 ZINC000685840047 940430610 /nfs/dbraw/zinc/43/06/10/940430610.db2.gz IQKNDFRFJUYNTI-CALCHBBNSA-N 1 3 363.509 3.677 20 0 FHADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNCc3c[nH]c4nccnc34)cc2)C1 ZINC000685840047 940430612 /nfs/dbraw/zinc/43/06/12/940430612.db2.gz IQKNDFRFJUYNTI-CALCHBBNSA-N 1 3 363.509 3.677 20 0 FHADHO CCN1CCN(CCC[NH2+][C@H]2CCC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000414070060 940476506 /nfs/dbraw/zinc/47/65/06/940476506.db2.gz RZHBXJSWDRDZED-FPOVZHCZSA-N 1 3 363.977 3.983 20 0 FHADHO CCn1cc([C@@H]2OCC[C@H]2CNC2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)cn1 ZINC000414240709 940821294 /nfs/dbraw/zinc/82/12/94/940821294.db2.gz FBRCUJGMXIQUMG-GMQQQROESA-N 1 3 374.573 3.613 20 0 FHADHO CCc1nc(C)c([C@H](C)[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)s1 ZINC000414308483 940936826 /nfs/dbraw/zinc/93/68/26/940936826.db2.gz QKXJMRDOVIRKBW-INIZCTEOSA-N 1 3 373.566 3.692 20 0 FHADHO OC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000414326421 940980720 /nfs/dbraw/zinc/98/07/20/940980720.db2.gz ANOFECPCAJNLSC-MHMIHQHRSA-N 1 3 356.554 3.818 20 0 FHADHO CSc1ccc([C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)N(C)C)cc1 ZINC000647582135 941094821 /nfs/dbraw/zinc/09/48/21/941094821.db2.gz IZQWYRRTBWTTEX-HXUWFJFHSA-N 1 3 371.550 3.503 20 0 FHADHO CC[NH+](CC)Cc1ccccc1CN[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000163789536 941098300 /nfs/dbraw/zinc/09/83/00/941098300.db2.gz CSJHCRIOAHBBRQ-GOSISDBHSA-N 1 3 363.509 3.960 20 0 FHADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C[C@H]2NCc3ccccc32)CC1 ZINC000659286949 941147552 /nfs/dbraw/zinc/14/75/52/941147552.db2.gz UBHILLCREKCJID-VGOFRKELSA-N 1 3 363.505 3.563 20 0 FHADHO CC(C)(C)OC(=O)NCc1ccc(C[NH2+]C2CCN(C3CCC3)CC2)cc1 ZINC000892680125 941214682 /nfs/dbraw/zinc/21/46/82/941214682.db2.gz UYWTZACTQVKUFO-UHFFFAOYSA-N 1 3 373.541 3.818 20 0 FHADHO CC(C)C[C@@H](N)C[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000415075251 941586440 /nfs/dbraw/zinc/58/64/40/941586440.db2.gz BHJFITMATVGHQU-OAHLLOKOSA-N 1 3 358.357 3.921 20 0 FHADHO CC(C)C[C@@H]([NH3+])CNC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000415075251 941586444 /nfs/dbraw/zinc/58/64/44/941586444.db2.gz BHJFITMATVGHQU-OAHLLOKOSA-N 1 3 358.357 3.921 20 0 FHADHO COc1cccc([C@H](NC[C@H]2CC[NH2+][C@@H](C)C2)c2cc(F)ccc2OC)c1 ZINC000415086390 941595321 /nfs/dbraw/zinc/59/53/21/941595321.db2.gz RNXITXQPZCRKML-WCJKSRRJSA-N 1 3 372.484 3.910 20 0 FHADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(Cc2ccc(-c3ccccc3F)o2)CC1 ZINC000415120394 941616417 /nfs/dbraw/zinc/61/64/17/941616417.db2.gz FWNJRNGLKSXXTP-TZIWHRDSSA-N 1 3 358.457 3.804 20 0 FHADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(Cc2ccc(-c3ccccc3F)o2)CC1 ZINC000415120074 941616931 /nfs/dbraw/zinc/61/69/31/941616931.db2.gz FWNJRNGLKSXXTP-FPOVZHCZSA-N 1 3 358.457 3.804 20 0 FHADHO [NH3+][C@@H]1CCO[C@H](C2CCN(CCCc3c(F)cccc3Cl)CC2)C1 ZINC000415127763 941622627 /nfs/dbraw/zinc/62/26/27/941622627.db2.gz RETYMQSTSPJLGY-BEFAXECRSA-N 1 3 354.897 3.630 20 0 FHADHO C[C@H](NCc1ccc(C[NH3+])cc1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000647803195 941866805 /nfs/dbraw/zinc/86/68/05/941866805.db2.gz MBNKFOHVGDJNQH-INIZCTEOSA-N 1 3 372.534 3.712 20 0 FHADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(CC[C@@H]2CCc3ccccc32)CC1 ZINC000659862943 941954319 /nfs/dbraw/zinc/95/43/19/941954319.db2.gz GDSMTEWHIOGCNR-VWPQPMDRSA-N 1 3 355.570 3.597 20 0 FHADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(CC[C@@H]2CCc3ccccc32)CC1 ZINC000659862943 941954320 /nfs/dbraw/zinc/95/43/20/941954320.db2.gz GDSMTEWHIOGCNR-VWPQPMDRSA-N 1 3 355.570 3.597 20 0 FHADHO CC[N@@H+]1CCC[C@@H](CN(C)C/C=C\c2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000434024010 942052009 /nfs/dbraw/zinc/05/20/09/942052009.db2.gz GOHSNNJAUJHTRL-IWGASYPISA-N 1 3 352.526 3.838 20 0 FHADHO CC[N@H+]1CCC[C@@H](CN(C)C/C=C\c2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000434024010 942052015 /nfs/dbraw/zinc/05/20/15/942052015.db2.gz GOHSNNJAUJHTRL-IWGASYPISA-N 1 3 352.526 3.838 20 0 FHADHO CC(C)Cc1ccc([C@@H](CNC(=O)Nc2ccc(C[NH3+])cc2)N(C)C)cc1 ZINC000415963063 942202046 /nfs/dbraw/zinc/20/20/46/942202046.db2.gz UTWUSIXVGPBNPK-OAQYLSRUSA-N 1 3 368.525 3.768 20 0 FHADHO C[NH2+]Cc1ccc(NC(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)cc1 ZINC000415970485 942216177 /nfs/dbraw/zinc/21/61/77/942216177.db2.gz IFFXQOCSTVRLMU-OAQYLSRUSA-N 1 3 366.509 3.673 20 0 FHADHO C[C@@H]1CN(CC2CC[NH+](CCSC3CCCCC3)CC2)C[C@@H](C)O1 ZINC000501154890 942328463 /nfs/dbraw/zinc/32/84/63/942328463.db2.gz QYKZJJOPJMXIRQ-QZTJIDSGSA-N 1 3 354.604 3.874 20 0 FHADHO CO[C@H](CN[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C)c1ccc(Cl)cc1 ZINC000378183672 942370088 /nfs/dbraw/zinc/37/00/88/942370088.db2.gz JKJCOJMRSZMWMZ-KCUHQSDYSA-N 1 3 366.933 3.507 20 0 FHADHO CO[C@H](CN[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C)c1ccc(Cl)cc1 ZINC000378183672 942370091 /nfs/dbraw/zinc/37/00/91/942370091.db2.gz JKJCOJMRSZMWMZ-KCUHQSDYSA-N 1 3 366.933 3.507 20 0 FHADHO C[C@H](NC1CC[NH+](CC(C)(C)O)CC1)c1ccc(-c2ccncc2)cc1 ZINC000647909551 942508628 /nfs/dbraw/zinc/50/86/28/942508628.db2.gz WRJLSESKDCKJCB-KRWDZBQOSA-N 1 3 353.510 3.635 20 0 FHADHO CCC[NH+]1CCN(c2ccccc2CNCc2cc(C)nc(C)c2)CC1 ZINC000421370811 942520795 /nfs/dbraw/zinc/52/07/95/942520795.db2.gz DBWWRQCDBKDPRL-UHFFFAOYSA-N 1 3 352.526 3.520 20 0 FHADHO COc1ccc([C@@H](CN)C[NH+]2CCC(Nc3cccc(C)c3)CC2)cc1 ZINC000420318655 942618844 /nfs/dbraw/zinc/61/88/44/942618844.db2.gz OHZXMJXSRXTEOZ-IBGZPJMESA-N 1 3 353.510 3.622 20 0 FHADHO O=C(CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)Nc1ccccc1-c1ccccc1 ZINC000420345664 942627008 /nfs/dbraw/zinc/62/70/08/942627008.db2.gz WHPYORIRGWLVTF-VQTJNVASSA-N 1 3 363.505 3.614 20 0 FHADHO O=C(Nc1ccccc1)[C@H](c1ccccc1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420333564 942631255 /nfs/dbraw/zinc/63/12/55/942631255.db2.gz FIZHYHPRDRTATJ-ONTIZHBOSA-N 1 3 363.505 3.688 20 0 FHADHO CCc1cccc(F)c1CNCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414528256 942631971 /nfs/dbraw/zinc/63/19/71/942631971.db2.gz SXCOEHYRHSHZBE-UHFFFAOYSA-N 1 3 356.485 3.505 20 0 FHADHO O=C(Nc1ccccc1)[C@H](c1ccccc1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420333579 942632430 /nfs/dbraw/zinc/63/24/30/942632430.db2.gz FIZHYHPRDRTATJ-VWPQPMDRSA-N 1 3 363.505 3.688 20 0 FHADHO O=C(CCN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)Nc1c(Cl)cccc1Cl ZINC000420377979 942646303 /nfs/dbraw/zinc/64/63/03/942646303.db2.gz AUYQRAZDUVQXGK-CZUORRHYSA-N 1 3 370.324 3.786 20 0 FHADHO Cc1ccc(-c2noc(CCCN3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)n2)cc1F ZINC000420379983 942647339 /nfs/dbraw/zinc/64/73/39/942647339.db2.gz BXYSNNKTUUADKT-IEBWSBKVSA-N 1 3 372.488 3.581 20 0 FHADHO O=C(CCN1CCCC[C@@H]1[C@H]1CC[NH2+]C1)Nc1cccc2ccccc21 ZINC000420403439 942661842 /nfs/dbraw/zinc/66/18/42/942661842.db2.gz RMWSMUPKZWQHLH-GHTZIAJQSA-N 1 3 351.494 3.632 20 0 FHADHO CCC[N@H+](CCCN(CC)CC)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000514074892 942719250 /nfs/dbraw/zinc/71/92/50/942719250.db2.gz WLJBOZPCUYKHRI-UHFFFAOYSA-N 1 3 361.578 3.506 20 0 FHADHO CCC[N@@H+](CCCN(CC)CC)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000514074892 942719252 /nfs/dbraw/zinc/71/92/52/942719252.db2.gz WLJBOZPCUYKHRI-UHFFFAOYSA-N 1 3 361.578 3.506 20 0 FHADHO CC[C@@H](C(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)[NH+](CC)CC)N(C)C ZINC000514077193 942729699 /nfs/dbraw/zinc/72/96/99/942729699.db2.gz MZDNSWAQRGJOGJ-DLBZAZTESA-N 1 3 373.463 3.545 20 0 FHADHO Cc1ccc([C@@H](CNC(=O)NCCC[N@H+](C)C2CCCCC2)N(C)C)cc1 ZINC000514210214 942820357 /nfs/dbraw/zinc/82/03/57/942820357.db2.gz BQCKYKKJFZXERU-OAQYLSRUSA-N 1 3 374.573 3.552 20 0 FHADHO Cc1ccc([C@@H](CNC(=O)NCCC[N@@H+](C)C2CCCCC2)N(C)C)cc1 ZINC000514210214 942820362 /nfs/dbraw/zinc/82/03/62/942820362.db2.gz BQCKYKKJFZXERU-OAQYLSRUSA-N 1 3 374.573 3.552 20 0 FHADHO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc3c(c2)CNC3)[C@@H]1c1cccs1 ZINC000582050938 942915862 /nfs/dbraw/zinc/91/58/62/942915862.db2.gz QVDJKTDFGIIZSF-HNAYVOBHSA-N 1 3 370.522 3.556 20 0 FHADHO C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc3c(c2)CNC3)[C@@H]1c1cccs1 ZINC000582050938 942915872 /nfs/dbraw/zinc/91/58/72/942915872.db2.gz QVDJKTDFGIIZSF-HNAYVOBHSA-N 1 3 370.522 3.556 20 0 FHADHO Cc1cc(C[N@H+]2CC[C@@]3(CCN(C)C3)C2)cc(C)c1OCc1ccccn1 ZINC000430113725 942927058 /nfs/dbraw/zinc/92/70/58/942927058.db2.gz NNWWEKKREYJUMS-HSZRJFAPSA-N 1 3 365.521 3.805 20 0 FHADHO Cc1cc(C[N@@H+]2CC[C@@]3(CCN(C)C3)C2)cc(C)c1OCc1ccccn1 ZINC000430113725 942927060 /nfs/dbraw/zinc/92/70/60/942927060.db2.gz NNWWEKKREYJUMS-HSZRJFAPSA-N 1 3 365.521 3.805 20 0 FHADHO C[NH2+][C@@H](C)Cc1noc(-c2cccc(CN(C)Cc3ccccc3)c2)n1 ZINC000414652381 943104003 /nfs/dbraw/zinc/10/40/03/943104003.db2.gz WLJYCXBHBCETFX-INIZCTEOSA-N 1 3 350.466 3.519 20 0 FHADHO [NH3+]C[C@@H]1CCN(Cc2ccc(-c3cccc(Br)c3)s2)C1 ZINC000414659101 943127059 /nfs/dbraw/zinc/12/70/59/943127059.db2.gz RTPHSVDYXZCRJA-LBPRGKRZSA-N 1 3 351.313 3.958 20 0 FHADHO Cn1ncc2c1CCC[C@H]2[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000272281180 943128799 /nfs/dbraw/zinc/12/87/99/943128799.db2.gz ADKXGSGLOZPSCO-RCLSDMTESA-N 1 3 350.510 3.583 20 0 FHADHO COc1cc(CN2CCC[C@H]([C@H](C)[NH3+])C2)c(-c2ccccc2)cc1OC ZINC000414665895 943165219 /nfs/dbraw/zinc/16/52/19/943165219.db2.gz VSJUZYOBYBZQDI-WMZOPIPTSA-N 1 3 354.494 3.930 20 0 FHADHO C[C@@H]1C[C@@H](C)N(Cc2ccc(C(=O)Nc3ccccc3)cc2)C[C@@H]1C[NH3+] ZINC000422631202 943214128 /nfs/dbraw/zinc/21/41/28/943214128.db2.gz FGBTUEVJRHHYCI-HLIPFELVSA-N 1 3 351.494 3.744 20 0 FHADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCc1cc(Br)ccc1F ZINC000422700437 943237808 /nfs/dbraw/zinc/23/78/08/943237808.db2.gz HCCWEJOJBMGLOU-ACJLOTCBSA-N 1 3 365.290 3.679 20 0 FHADHO N[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccccc3Br)C2)c2ccccc21 ZINC000422710555 943243735 /nfs/dbraw/zinc/24/37/35/943243735.db2.gz LLWLYWXZTBTUOW-FSPWUOQZSA-N 1 3 372.310 3.762 20 0 FHADHO Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@H](C)c2ccc(CN)nc2C)C1 ZINC000422752002 943272272 /nfs/dbraw/zinc/27/22/72/943272272.db2.gz CDYUZEQUNABKKL-APWZRJJASA-N 1 3 356.489 3.616 20 0 FHADHO COc1ccc(C[C@H](N[C@H]2CC[NH2+]CC[C@H]2C)c2ccc(OC)cc2)cc1 ZINC000422762622 943283959 /nfs/dbraw/zinc/28/39/59/943283959.db2.gz ILNUPFBAWAEYBG-VSDWSMLSSA-N 1 3 368.521 3.965 20 0 FHADHO CC(C)Oc1ccc(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422822905 943295743 /nfs/dbraw/zinc/29/57/43/943295743.db2.gz BURJVAVMFVILML-IFMALSPDSA-N 1 3 352.478 3.819 20 0 FHADHO C[C@H](C[NH2+][C@H]1C[C@H](N)c2ccccc21)Oc1ccccc1Br ZINC000422841274 943301806 /nfs/dbraw/zinc/30/18/06/943301806.db2.gz VLNCNJRJDPHPEI-DQYPLSBCSA-N 1 3 361.283 3.951 20 0 FHADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000422873649 943322556 /nfs/dbraw/zinc/32/25/56/943322556.db2.gz AWLLWZATLOGUCF-UONOGXRCSA-N 1 3 367.497 3.544 20 0 FHADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCc1nc2ccccc2n1C(F)F ZINC000422911200 943328164 /nfs/dbraw/zinc/32/81/64/943328164.db2.gz KHCBYRLWSMJXFO-LSDHHAIUSA-N 1 3 350.457 3.874 20 0 FHADHO COC[C@@H](CCC[NH3+])NCc1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000422944259 943344993 /nfs/dbraw/zinc/34/49/93/943344993.db2.gz LEVLLIDGQIMODD-OAHLLOKOSA-N 1 3 353.919 3.615 20 0 FHADHO Cc1ccc([C@@H](Cn2ccnc2)N[C@H](C)c2ccc(C[NH3+])nc2C)c(C)c1 ZINC000423008287 943363394 /nfs/dbraw/zinc/36/33/94/943363394.db2.gz ZRLLTYBFUROGNK-XMSQKQJNSA-N 1 3 363.509 3.754 20 0 FHADHO COc1ccc(Oc2ccc(CCNC3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)cc1 ZINC000423015759 943365524 /nfs/dbraw/zinc/36/55/24/943365524.db2.gz RNAUNAJZCDUHCG-DFNIBXOVSA-N 1 3 352.478 3.903 20 0 FHADHO Cc1nc(CN)ccc1[C@@H](C)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC000423020973 943367168 /nfs/dbraw/zinc/36/71/68/943367168.db2.gz ARNUDDIBYOKZRX-QGZVFWFLSA-N 1 3 367.541 3.552 20 0 FHADHO C[C@@H]([NH3+])C[C@@H](C)NCCOc1c(Cl)cc(Br)cc1Cl ZINC000423023665 943369549 /nfs/dbraw/zinc/36/95/49/943369549.db2.gz HZKVXWAFWPYLAS-RKDXNWHRSA-N 1 3 370.118 3.850 20 0 FHADHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3cccc(NC(=O)c4ccccc4Cl)c3)C[C@@H]12 ZINC000435379153 943368154 /nfs/dbraw/zinc/36/81/54/943368154.db2.gz LFCJNUUZOLSUQW-XFQXTVEOSA-N 1 3 369.896 3.761 20 0 FHADHO C[C@H](NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1)[C@H]1CCCC[NH2+]1 ZINC000423022897 943369470 /nfs/dbraw/zinc/36/94/70/943369470.db2.gz IMYLTRKAPRGFRW-JOQQVMPUSA-N 1 3 353.913 3.592 20 0 FHADHO C[C@H]([NH2+]C[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1)[C@H]1CCCCN1 ZINC000423022897 943369476 /nfs/dbraw/zinc/36/94/76/943369476.db2.gz IMYLTRKAPRGFRW-JOQQVMPUSA-N 1 3 353.913 3.592 20 0 FHADHO COc1ccccc1[C@H](C[NH2+][C@@H](C)c1ccc(CN)nc1C)OC(C)C ZINC000423056921 943376677 /nfs/dbraw/zinc/37/66/77/943376677.db2.gz YGJILOLQTSTZJT-BTYIYWSLSA-N 1 3 357.498 3.674 20 0 FHADHO COc1ccc([C@@H](C)CN(Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435394156 943380710 /nfs/dbraw/zinc/38/07/10/943380710.db2.gz MOCKYLLLRYTNKV-GHTZIAJQSA-N 1 3 353.510 3.838 20 0 FHADHO COC[C@@H](CCC[NH3+])N[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21 ZINC000423051384 943384000 /nfs/dbraw/zinc/38/40/00/943384000.db2.gz NZBKFTRIOVITLO-CVEARBPZSA-N 1 3 363.502 3.670 20 0 FHADHO Fc1cccc(C2(CN[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)CCCC2)c1F ZINC000423077876 943385434 /nfs/dbraw/zinc/38/54/34/943385434.db2.gz NCSVPWSLOCLITE-KFKAGJAMSA-N 1 3 364.480 3.523 20 0 FHADHO CCO[C@H](CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000423089111 943390749 /nfs/dbraw/zinc/39/07/49/943390749.db2.gz RRZRXVLEAXKDPJ-KSEOMHKRSA-N 1 3 352.478 3.610 20 0 FHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000423092407 943391434 /nfs/dbraw/zinc/39/14/34/943391434.db2.gz BUEVGPCZMNQKFI-CYBMUJFWSA-N 1 3 367.415 3.683 20 0 FHADHO NC[C@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000423097929 943393515 /nfs/dbraw/zinc/39/35/15/943393515.db2.gz RNAWCBIOICIQFD-WBOJAVRRSA-N 1 3 355.295 3.941 20 0 FHADHO Cn1cnc2cc(CN(Cc3ccsc3)[C@H]3CC34CC[NH2+]CC4)ccc21 ZINC000435421554 943402104 /nfs/dbraw/zinc/40/21/04/943402104.db2.gz JZRNVLWHORDMLL-FQEVSTJZSA-N 1 3 366.534 3.779 20 0 FHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C/C=C/c1ccc(Br)cc1 ZINC000423153496 943410845 /nfs/dbraw/zinc/41/08/45/943410845.db2.gz GTGGXFWURCXKMR-ITDFMYJTSA-N 1 3 360.299 3.975 20 0 FHADHO CN1CCC[C@H](N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c2ccccc21 ZINC000423152919 943411619 /nfs/dbraw/zinc/41/16/19/943411619.db2.gz GLKLOYWPUIGIIH-MZKRTTBSSA-N 1 3 363.505 3.803 20 0 FHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H](C)Cc1cn(C)c2ccc(F)cc12 ZINC000423177371 943427633 /nfs/dbraw/zinc/42/76/33/943427633.db2.gz HJBVHMJWIREAHV-KGLIPLIRSA-N 1 3 354.473 3.761 20 0 FHADHO COCCC[C@@H](NC[C@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000423215056 943445627 /nfs/dbraw/zinc/44/56/27/943445627.db2.gz QCDQUUYACSULTI-WMLDXEAASA-N 1 3 355.320 3.506 20 0 FHADHO C[NH2+]C[C@H](C)CN[C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000423283557 943463476 /nfs/dbraw/zinc/46/34/76/943463476.db2.gz XJNBSWVSPFGWKB-ZBEGNZNMSA-N 1 3 350.304 3.753 20 0 FHADHO C[C@H](N[C@@H]1CCCC[C@@H]1C[NH3+])c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000423285165 943464103 /nfs/dbraw/zinc/46/41/03/943464103.db2.gz XSRCWWDMZCJMLP-ZCDKGFTFSA-N 1 3 364.505 3.942 20 0 FHADHO COC[C@]1(C[NH2+][C@H]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)CCCN1 ZINC000423420455 943504964 /nfs/dbraw/zinc/50/49/64/943504964.db2.gz XEACYTAVPHAHGQ-RYQLBKOJSA-N 1 3 356.432 3.700 20 0 FHADHO C[NH+]1CCC(CN[C@@H](c2ccc(Br)cc2)c2cccnc2)CC1 ZINC000924963552 943521475 /nfs/dbraw/zinc/52/14/75/943521475.db2.gz KUGIADCQCRTPCP-IBGZPJMESA-N 1 3 374.326 3.865 20 0 FHADHO CN(CCC(=O)Nc1ccccc1Oc1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000435626284 943526794 /nfs/dbraw/zinc/52/67/94/943526794.db2.gz ODHYPXPGVUYQKC-SFHVURJKSA-N 1 3 367.493 3.881 20 0 FHADHO COc1ccc([C@@H](C)N[C@H](CCC[NH3+])c2ccccc2)cc1NC(C)=O ZINC000423501021 943530361 /nfs/dbraw/zinc/53/03/61/943530361.db2.gz KUVJJFHMPLIHLC-DNVCBOLYSA-N 1 3 355.482 3.784 20 0 FHADHO C[C@@H](N[C@@H](CCC[NH3+])c1ccccc1)c1cccc(N2CCCC2=O)c1 ZINC000423512045 943542257 /nfs/dbraw/zinc/54/22/57/943542257.db2.gz UIBHCKMSJWWVIG-UTKZUKDTSA-N 1 3 351.494 3.944 20 0 FHADHO [NH3+]C[C@@H]1CC[C@H](N[C@@H](c2ccc(Br)o2)c2ccc(F)cc2)C1 ZINC000423514376 943542662 /nfs/dbraw/zinc/54/26/62/943542662.db2.gz SBYCHCNVMBPXLJ-HYSWKAIVSA-N 1 3 367.262 3.988 20 0 FHADHO COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]CC2(N)C3CC4CC(C3)CC2C4)cc1 ZINC000423525778 943546587 /nfs/dbraw/zinc/54/65/87/943546587.db2.gz KQZASZNDMCRPQG-GFVOOYGCSA-N 1 3 354.538 3.930 20 0 FHADHO C[C@@H]1C[C@H](CN2CCO[C@@H](c3ccc(Br)cc3)[C@H]2C)CC[NH2+]1 ZINC000414752101 943566187 /nfs/dbraw/zinc/56/61/87/943566187.db2.gz JYXFCCKREHDDMA-ATNYBXOESA-N 1 3 367.331 3.599 20 0 FHADHO CN(c1ccccc1CN1CCC[C@H]1c1ccc[nH]1)C1CC[NH+](C)CC1 ZINC000435772109 943601714 /nfs/dbraw/zinc/60/17/14/943601714.db2.gz YHWKRMXBPVCBOF-QFIPXVFZSA-N 1 3 352.526 3.882 20 0 FHADHO Cc1ccc(-c2ncc(CN3CCC([C@H]4C[C@H]([NH3+])CCO4)CC3)s2)cc1 ZINC000515373801 943818924 /nfs/dbraw/zinc/81/89/24/943818924.db2.gz VLBNIBDNNGFESP-UYAOXDASSA-N 1 3 371.550 3.837 20 0 FHADHO COc1cccc(C[C@H](C)[NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)n1 ZINC000584869023 943822089 /nfs/dbraw/zinc/82/20/89/943822089.db2.gz RXCCSBUKWNIQEM-PZJWPPBQSA-N 1 3 367.537 3.913 20 0 FHADHO C[C@H]1CC2(CN1Cc1csc(-c3ccc4c(c3)OCO4)n1)CC[NH2+]CC2 ZINC000424380601 943888702 /nfs/dbraw/zinc/88/87/02/943888702.db2.gz QBEFCGLJYMKYFO-AWEZNQCLSA-N 1 3 371.506 3.503 20 0 FHADHO C[C@H](NC[C@@H](O)c1ccccc1Cl)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310783591 943901249 /nfs/dbraw/zinc/90/12/49/943901249.db2.gz CDXBHYRFXVMSMI-YRISNDGFSA-N 1 3 358.913 3.874 20 0 FHADHO C[C@H](NC[C@@H](O)c1ccccc1Cl)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310783591 943901251 /nfs/dbraw/zinc/90/12/51/943901251.db2.gz CDXBHYRFXVMSMI-YRISNDGFSA-N 1 3 358.913 3.874 20 0 FHADHO C[C@H]([NH2+]C[C@@H](O)c1ccccc1Cl)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000310783591 943901254 /nfs/dbraw/zinc/90/12/54/943901254.db2.gz CDXBHYRFXVMSMI-YRISNDGFSA-N 1 3 358.913 3.874 20 0 FHADHO CCOCCC[N@@H+]1CC[C@H](NCCSc2ccc(F)cc2F)[C@H](C)C1 ZINC000660305244 943932578 /nfs/dbraw/zinc/93/25/78/943932578.db2.gz JQRRMIPWKZYDQZ-QAPCUYQASA-N 1 3 372.525 3.784 20 0 FHADHO CCOCCC[N@H+]1CC[C@H](NCCSc2ccc(F)cc2F)[C@H](C)C1 ZINC000660305244 943932582 /nfs/dbraw/zinc/93/25/82/943932582.db2.gz JQRRMIPWKZYDQZ-QAPCUYQASA-N 1 3 372.525 3.784 20 0 FHADHO CC(C)Oc1ccc2nccc(N3CCO[C@@H](CCC[NH+](C)C)C3)c2c1 ZINC000664654157 944085038 /nfs/dbraw/zinc/08/50/38/944085038.db2.gz FOCDJJJQHHRATH-SFHVURJKSA-N 1 3 357.498 3.569 20 0 FHADHO FC(F)(F)[C@@H](CCNCc1cc(C2CC[NH2+]CC2)no1)c1ccccc1 ZINC000425897885 944115019 /nfs/dbraw/zinc/11/50/19/944115019.db2.gz WQPLSAQHSRSFFF-KRWDZBQOSA-N 1 3 367.415 3.967 20 0 FHADHO Cc1ccc([C@@H]2CCC[C@H]2[N@@H+](C)CCCN2CCN(C(C)C)CC2)cc1 ZINC000500116947 944123362 /nfs/dbraw/zinc/12/33/62/944123362.db2.gz PIAURPGFSADTIQ-XZOQPEGZSA-N 1 3 357.586 3.979 20 0 FHADHO Cc1ccc([C@@H]2CCC[C@H]2[N@H+](C)CCCN2CCN(C(C)C)CC2)cc1 ZINC000500116947 944123364 /nfs/dbraw/zinc/12/33/64/944123364.db2.gz PIAURPGFSADTIQ-XZOQPEGZSA-N 1 3 357.586 3.979 20 0 FHADHO COc1ccc(Cl)cc1C(C)(C)[NH2+]CCCN1CCN(C(C)C)CC1 ZINC000425512720 944184943 /nfs/dbraw/zinc/18/49/43/944184943.db2.gz NHRAZIHQIFDSLX-UHFFFAOYSA-N 1 3 367.965 3.589 20 0 FHADHO CC1(C)CN(Cc2cccnc2N)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664834969 944339425 /nfs/dbraw/zinc/33/94/25/944339425.db2.gz APFYEWQAAQMOFA-NRFANRHFSA-N 1 3 364.537 3.786 20 0 FHADHO Fc1ccccc1CC1([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CCOCC1 ZINC001167978113 944433143 /nfs/dbraw/zinc/43/31/43/944433143.db2.gz JCPVARUCAGZGCZ-SEJPIABJSA-N 1 3 372.528 3.912 20 0 FHADHO COC(=O)c1ccc(C[NH2+]C[C@]2(C)CCN(Cc3ccccc3)C2)cc1F ZINC000312737021 944588868 /nfs/dbraw/zinc/58/88/68/944588868.db2.gz XEFQGKJGCBBQKM-QFIPXVFZSA-N 1 3 370.468 3.614 20 0 FHADHO C/C(=C/c1ccccc1C(F)(F)F)CNCCC[NH+]1CCC(O)CC1 ZINC000500383552 944698359 /nfs/dbraw/zinc/69/83/59/944698359.db2.gz KGBDEHIKAZCGDB-SQFISAMPSA-N 1 3 356.432 3.545 20 0 FHADHO CC(C)N1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3C)[C@H]1c1ccc(F)c(F)c1 ZINC000893416428 945684105 /nfs/dbraw/zinc/68/41/05/945684105.db2.gz IZHMLZBZKOACCQ-KCUCZHLASA-N 1 3 363.496 3.703 20 0 FHADHO CCCN1CCC[C@@H]1C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000522893113 946073848 /nfs/dbraw/zinc/07/38/48/946073848.db2.gz HWVYHOMZMOPUGE-GHTZIAJQSA-N 1 3 357.542 3.552 20 0 FHADHO CCCN1CCC[C@@H]1C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000522893113 946073862 /nfs/dbraw/zinc/07/38/62/946073862.db2.gz HWVYHOMZMOPUGE-GHTZIAJQSA-N 1 3 357.542 3.552 20 0 FHADHO C[C@@H]([NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)[C@H]1CCCN(C2CCC2)C1 ZINC000893488935 946431163 /nfs/dbraw/zinc/43/11/63/946431163.db2.gz VTUOAZOIJYNXCT-BDXSIMOUSA-N 1 3 365.562 3.532 20 0 FHADHO Cc1ccc([C@@H]2CCC[C@@H]2N(C)CC(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000441359570 946485370 /nfs/dbraw/zinc/48/53/70/946485370.db2.gz RRGXITAVODVJKX-VXKWHMMOSA-N 1 3 371.569 3.552 20 0 FHADHO C[C@H](OC[C@H](O)C[N@H+](C)CC[C@H]1CCCCN1C)c1ccc(Cl)cc1 ZINC000441363691 946509903 /nfs/dbraw/zinc/50/99/03/946509903.db2.gz KBPDXUVWWCEBHP-PWIZWCRZSA-N 1 3 368.949 3.585 20 0 FHADHO C[C@H](OC[C@H](O)C[N@@H+](C)CC[C@H]1CCCCN1C)c1ccc(Cl)cc1 ZINC000441363691 946509913 /nfs/dbraw/zinc/50/99/13/946509913.db2.gz KBPDXUVWWCEBHP-PWIZWCRZSA-N 1 3 368.949 3.585 20 0 FHADHO N=C(N)N(c1ccc(F)cc1)c1ccc2c(c1)ncn2[C@H]1CCC[NH2+]CC1 ZINC001167991039 946709838 /nfs/dbraw/zinc/70/98/38/946709838.db2.gz FFWQONRYUPQLMB-HNNXBMFYSA-N 1 3 366.444 3.522 20 0 FHADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(CCOc3ccc(Cl)cc3Cl)C2)C1 ZINC000652346315 946872241 /nfs/dbraw/zinc/87/22/41/946872241.db2.gz YMKTYVRSSYYZGI-SIIHOXLZSA-N 1 3 373.324 3.591 20 0 FHADHO C[C@H](c1ccccc1Br)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652347799 946878186 /nfs/dbraw/zinc/87/81/86/946878186.db2.gz MHPXRUOJRNZUJW-LLDVTBCESA-N 1 3 367.331 3.728 20 0 FHADHO C[C@@H]1CC(N2CC[C@]3(C2)CC(F)(F)CO3)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168062130 946951533 /nfs/dbraw/zinc/95/15/33/946951533.db2.gz JCINGIRNVRELJD-MBOZVWFJSA-N 1 3 364.480 3.928 20 0 FHADHO Cc1cc(NC(=O)C(C[C@H]2CCCO2)C(F)(F)F)ccc1C[NH+](C)C ZINC000652435584 947114095 /nfs/dbraw/zinc/11/40/95/947114095.db2.gz TTYATQVIDVCDNF-HZPDHXFCSA-N 1 3 358.404 3.743 20 0 FHADHO C[C@@H]1C[C@@H](N2CC[C@@H](Oc3ccncc3)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168065675 947179644 /nfs/dbraw/zinc/17/96/44/947179644.db2.gz XLCIHCBXVNBMTD-MHXAIHSWSA-N 1 3 365.521 3.976 20 0 FHADHO C[C@@H]1C[C@@H](N2CC[C@@H](Oc3ccncc3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168065675 947179648 /nfs/dbraw/zinc/17/96/48/947179648.db2.gz XLCIHCBXVNBMTD-MHXAIHSWSA-N 1 3 365.521 3.976 20 0 FHADHO CC[NH+](CC)CCCC1CC[NH+]([C@H](C)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825412142 947181711 /nfs/dbraw/zinc/18/17/11/947181711.db2.gz LWLPLLRFLMIQEX-QGZVFWFLSA-N 1 3 370.545 3.762 20 0 FHADHO CC[NH+](CC)CCCC1CC[NH+]([C@H](C)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825412142 947181717 /nfs/dbraw/zinc/18/17/17/947181717.db2.gz LWLPLLRFLMIQEX-QGZVFWFLSA-N 1 3 370.545 3.762 20 0 FHADHO COc1ccc(CN(C)Cc2cccc3c2CC[NH2+]C3)cc1OC(F)F ZINC000662250477 947672978 /nfs/dbraw/zinc/67/29/78/947672978.db2.gz IZLDCUFTQWNBDQ-UHFFFAOYSA-N 1 3 362.420 3.574 20 0 FHADHO O=C(c1cc(F)ccc1F)C1CCN(Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000662251871 947674191 /nfs/dbraw/zinc/67/41/91/947674191.db2.gz HZWNRGOQGSOFMG-UHFFFAOYSA-N 1 3 370.443 3.705 20 0 FHADHO Cc1ccc(NC(=O)C[C@H](C)NC[C@H]2CCC[N@H+](CC3CC3)C2)c(C)c1 ZINC000663466771 948058011 /nfs/dbraw/zinc/05/80/11/948058011.db2.gz ACFHXXORCUQQTB-AZUAARDMSA-N 1 3 357.542 3.732 20 0 FHADHO Cc1ccc(NC(=O)C[C@H](C)NC[C@H]2CCC[N@@H+](CC3CC3)C2)c(C)c1 ZINC000663466771 948058022 /nfs/dbraw/zinc/05/80/22/948058022.db2.gz ACFHXXORCUQQTB-AZUAARDMSA-N 1 3 357.542 3.732 20 0 FHADHO Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCCN(CC3CC3)C2)c(C)c1 ZINC000663466771 948058033 /nfs/dbraw/zinc/05/80/33/948058033.db2.gz ACFHXXORCUQQTB-AZUAARDMSA-N 1 3 357.542 3.732 20 0 FHADHO C[C@@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1ccc(SCC(F)F)cc1 ZINC000925780573 948093319 /nfs/dbraw/zinc/09/33/19/948093319.db2.gz FTQDMDKWIXCOJY-YPMHNXCESA-N 1 3 350.425 3.939 20 0 FHADHO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CNCCC2(F)F)c2cccc(Br)c21 ZINC000925780781 948096456 /nfs/dbraw/zinc/09/64/56/948096456.db2.gz GPRLMSLVZVUILU-SUNKGSAMSA-N 1 3 359.258 3.832 20 0 FHADHO CO[C@H](CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1Cl ZINC000643467450 948106636 /nfs/dbraw/zinc/10/66/36/948106636.db2.gz HVXJZFVYXKMLDN-CEWLAPEOSA-N 1 3 372.896 3.873 20 0 FHADHO CC[C@H]1CN(C(=O)OC(C)(C)C)CCN1[C@@H](C)CCC[NH+](CC)CC ZINC001167824724 948112896 /nfs/dbraw/zinc/11/28/96/948112896.db2.gz FYNACJUCYUTTLM-ROUUACIJSA-N 1 3 355.567 3.828 20 0 FHADHO CC[NH+](CC)CCC[C@@H](C)N1CCn2c(CN(C)C(C)C)cnc2[C@@H]1C ZINC001167825126 948117284 /nfs/dbraw/zinc/11/72/84/948117284.db2.gz REEUMSFYJNSTEP-MOPGFXCFSA-N 1 3 363.594 3.610 20 0 FHADHO CC[NH+](CC)CCC[C@H](C)N1CCN(C(=O)OC(C)(C)C)CC1(C)C ZINC001167826987 948134889 /nfs/dbraw/zinc/13/48/89/948134889.db2.gz SSCRKAKYCQIUMS-KRWDZBQOSA-N 1 3 355.567 3.828 20 0 FHADHO C[C@H](N)C[NH2+][C@@H]1CCCc2c(Br)cc(Br)cc21 ZINC000643528009 948180192 /nfs/dbraw/zinc/18/01/92/948180192.db2.gz XIPXWDSVIXPTIJ-ISVAXAHUSA-N 1 3 362.109 3.526 20 0 FHADHO C[C@@H]1CN(CCC[NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)CCCO1 ZINC000432352167 948198353 /nfs/dbraw/zinc/19/83/53/948198353.db2.gz WDMRJAZZXOXDBY-CYBMUJFWSA-N 1 3 364.839 3.949 20 0 FHADHO CCCOc1c(Cl)cc(CN2CCC3(C2)CC[NH2+]CC3)cc1OC ZINC000262109278 948246052 /nfs/dbraw/zinc/24/60/52/948246052.db2.gz WFYCQMRDVPUFTC-UHFFFAOYSA-N 1 3 352.906 3.713 20 0 FHADHO CC[NH+](CC)CCC[C@@H](C)N1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001167836552 948306810 /nfs/dbraw/zinc/30/68/10/948306810.db2.gz FHEKKPMKWRUSMK-KURKYZTESA-N 1 3 355.567 3.827 20 0 FHADHO CCCN1CCN(c2ccccc2C[NH2+]CCC2CC(OCC)C2)CC1 ZINC000473995973 948317117 /nfs/dbraw/zinc/31/71/17/948317117.db2.gz VRAFVMODAKVJGC-UHFFFAOYSA-N 1 3 359.558 3.513 20 0 FHADHO C[C@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000432405036 948348662 /nfs/dbraw/zinc/34/86/62/948348662.db2.gz GNGNXRCYINJQOV-GJZGRUSLSA-N 1 3 360.420 3.737 20 0 FHADHO C[C@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000432405036 948348669 /nfs/dbraw/zinc/34/86/69/948348669.db2.gz GNGNXRCYINJQOV-GJZGRUSLSA-N 1 3 360.420 3.737 20 0 FHADHO C[C@@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1cccc(-c2ccncc2)c1 ZINC000432410924 948356994 /nfs/dbraw/zinc/35/69/94/948356994.db2.gz SYEGPEIYXLVLEH-RBUKOAKNSA-N 1 3 353.510 3.900 20 0 FHADHO C[C@@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1cccc(-c2ccncc2)c1 ZINC000432410924 948357000 /nfs/dbraw/zinc/35/70/00/948357000.db2.gz SYEGPEIYXLVLEH-RBUKOAKNSA-N 1 3 353.510 3.900 20 0 FHADHO C[C@@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1cccc(Br)c1 ZINC000432411314 948362175 /nfs/dbraw/zinc/36/21/75/948362175.db2.gz XFLNFQMIXARMRH-LSDHHAIUSA-N 1 3 355.320 3.601 20 0 FHADHO C[C@@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1cccc(Br)c1 ZINC000432411314 948362184 /nfs/dbraw/zinc/36/21/84/948362184.db2.gz XFLNFQMIXARMRH-LSDHHAIUSA-N 1 3 355.320 3.601 20 0 FHADHO CCOc1ccc([C@H](C)NCCC[N@@H+]2CCCO[C@H](C)C2)cc1OCC ZINC000432415638 948362761 /nfs/dbraw/zinc/36/27/61/948362761.db2.gz OILGXJXSGANAPA-MSOLQXFVSA-N 1 3 364.530 3.636 20 0 FHADHO CCOc1ccc([C@H](C)NCCC[N@H+]2CCCO[C@H](C)C2)cc1OCC ZINC000432415638 948362771 /nfs/dbraw/zinc/36/27/71/948362771.db2.gz OILGXJXSGANAPA-MSOLQXFVSA-N 1 3 364.530 3.636 20 0 FHADHO CN1CCN(Cc2ccc(C[NH2+]C/C=C/c3ccc(F)c(F)c3)cc2)CC1 ZINC000512135096 948514518 /nfs/dbraw/zinc/51/45/18/948514518.db2.gz FJKVRENFVOJTQM-NSCUHMNNSA-N 1 3 371.475 3.515 20 0 FHADHO C[C@@H]1C[NH+](CC2CCN(Cc3cc4cc(F)ccc4o3)CC2)C[C@@H](C)O1 ZINC000512182837 948710409 /nfs/dbraw/zinc/71/04/09/948710409.db2.gz SYNAHFROFROEBM-HZPDHXFCSA-N 1 3 360.473 3.893 20 0 FHADHO Fc1ccc(OCCN2CCC(Nc3[nH+]ccc4[nH]ccc43)CC2)cc1 ZINC000663705896 948725861 /nfs/dbraw/zinc/72/58/61/948725861.db2.gz WFCQYBBGEIXMEB-UHFFFAOYSA-N 1 3 354.429 3.657 20 0 FHADHO CCOC(=O)[C@H]1CC[C@@H](NCc2cccc3c2CC[NH2+]C3)c2ccccc21 ZINC000602019027 567901544 /nfs/dbraw/zinc/90/15/44/567901544.db2.gz DNPKYRFGSWBTBJ-FCHUYYIVSA-N 1 3 364.489 3.604 20 0 FHADHO c1ccc(CN2CC[C@@H]([NH2+]C3CC(N4CCCCC4)C3)CC23CC3)cc1 ZINC000563119699 568224544 /nfs/dbraw/zinc/22/45/44/568224544.db2.gz FTCVNNIFPRYKFP-ITAUSPCMSA-N 1 3 353.554 3.790 20 0 FHADHO C[C@@H]([NH2+]CCCCCCC[NH+]1CCCC1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824584747 609333603 /nfs/dbraw/zinc/33/36/03/609333603.db2.gz GFIYQZLXRHVBRB-MRXNPFEDSA-N 1 3 374.508 3.703 20 0 FHADHO C[C@@H]([NH2+]CCCCCCC[NH+]1CCCC1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824584747 609333605 /nfs/dbraw/zinc/33/36/05/609333605.db2.gz GFIYQZLXRHVBRB-MRXNPFEDSA-N 1 3 374.508 3.703 20 0 FHADHO [NH3+][C@H]1CCO[C@H](C2CCN(Cc3cnc(-c4ccccc4)s3)CC2)C1 ZINC000583131511 937153045 /nfs/dbraw/zinc/15/30/45/937153045.db2.gz PVQOVNJIXDWLOG-HKUYNNGSSA-N 1 3 357.523 3.528 20 0 FHADHO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1oc2ccccc2c1CN(C)C ZINC000118779363 927938771 /nfs/dbraw/zinc/93/87/71/927938771.db2.gz NSPQRDOMNXOOKN-BRWVUGGUSA-N 1 3 371.525 3.591 20 0 FHADHO CC[C@H]1c2ccccc2CN1C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000890615069 928582281 /nfs/dbraw/zinc/58/22/81/928582281.db2.gz PEOPLBVSOWYZBM-QFIPXVFZSA-N 1 3 369.553 3.676 20 0 FHADHO C[C@H](CN1CCC[C@@H](C)C1)[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000151958693 930051131 /nfs/dbraw/zinc/05/11/31/930051131.db2.gz DSQQRGQLEUACHY-RTBURBONSA-N 1 3 361.549 3.543 20 0 FHADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@]2(C)Cc2cccc(F)c2)CC1 ZINC000580190013 930350594 /nfs/dbraw/zinc/35/05/94/930350594.db2.gz BDHZXIDLXPJAIS-JOCHJYFZSA-N 1 3 361.549 3.639 20 0 FHADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@]2(C)Cc2cccc(F)c2)CC1 ZINC000580190013 930350597 /nfs/dbraw/zinc/35/05/97/930350597.db2.gz BDHZXIDLXPJAIS-JOCHJYFZSA-N 1 3 361.549 3.639 20 0 FHADHO Cc1ccc([C@H](CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)N(C)C)cc1 ZINC000548086145 930582115 /nfs/dbraw/zinc/58/21/15/930582115.db2.gz SYKBTXFBISNSEV-QFIPXVFZSA-N 1 3 365.521 3.624 20 0 FHADHO COc1ccc(C[N@H+]2C[C@H]3CN(Cc4ccccc4)CC[C@@H]3C2)cc1OC ZINC000312838266 930641327 /nfs/dbraw/zinc/64/13/27/930641327.db2.gz DZSSXLSVQAQJJW-NHCUHLMSSA-N 1 3 366.505 3.658 20 0 FHADHO COc1ccc(C[N@@H+]2C[C@H]3CN(Cc4ccccc4)CC[C@@H]3C2)cc1OC ZINC000312838266 930641335 /nfs/dbraw/zinc/64/13/35/930641335.db2.gz DZSSXLSVQAQJJW-NHCUHLMSSA-N 1 3 366.505 3.658 20 0 FHADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C[C@H](N)c2ccccc2)CC1 ZINC000580895046 931309907 /nfs/dbraw/zinc/30/99/07/931309907.db2.gz PGDMEQATRLRSIZ-RXVVDRJESA-N 1 3 357.542 3.580 20 0 FHADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)C[C@H](N)c2ccccc2)CC1 ZINC000580895046 931309915 /nfs/dbraw/zinc/30/99/15/931309915.db2.gz PGDMEQATRLRSIZ-RXVVDRJESA-N 1 3 357.542 3.580 20 0 FHADHO CCN(CC)[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)c1ccsc1 ZINC000510367756 931655243 /nfs/dbraw/zinc/65/52/43/931655243.db2.gz TVTJBMQTMAGZTH-FUHWJXTLSA-N 1 3 351.560 3.512 20 0 FHADHO CC(C)[N@H+](C)Cc1cccc(CNCc2cn(C)nc2-c2ccncc2)c1 ZINC000065976471 931672545 /nfs/dbraw/zinc/67/25/45/931672545.db2.gz PRTULJRZIYVYDW-UHFFFAOYSA-N 1 3 363.509 3.612 20 0 FHADHO CC(C)[N@@H+](C)Cc1cccc(CNCc2cn(C)nc2-c2ccncc2)c1 ZINC000065976471 931672579 /nfs/dbraw/zinc/67/25/79/931672579.db2.gz PRTULJRZIYVYDW-UHFFFAOYSA-N 1 3 363.509 3.612 20 0 FHADHO CC(C)[C@](C)(C[NH3+])NCCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000430565513 931885008 /nfs/dbraw/zinc/88/50/08/931885008.db2.gz AOXZQZSHHUMGFV-NRFANRHFSA-N 1 3 355.482 3.771 20 0 FHADHO C[C@H]([NH3+])[C@H]1CCCN(CCC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000430574047 931924111 /nfs/dbraw/zinc/92/41/11/931924111.db2.gz SDACETHMSDYEPL-ROUUACIJSA-N 1 3 367.493 3.867 20 0 FHADHO CCCn1cc(CN2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cn1 ZINC000581444868 932084595 /nfs/dbraw/zinc/08/45/95/932084595.db2.gz QFUOWYJNZDWZSG-UHFFFAOYSA-N 1 3 352.526 3.781 20 0 FHADHO C[C@H](N)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000430621869 932356599 /nfs/dbraw/zinc/35/65/99/932356599.db2.gz KSNWIHVQVYBVLF-LAUBAEHRSA-N 1 3 351.494 3.884 20 0 FHADHO C[C@H](N)[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000430621869 932356607 /nfs/dbraw/zinc/35/66/07/932356607.db2.gz KSNWIHVQVYBVLF-LAUBAEHRSA-N 1 3 351.494 3.884 20 0 FHADHO CC(C)N1CC[C@H](C[NH2+][C@H](C)Cc2ccc(F)cc2Br)C1 ZINC000581689569 932507479 /nfs/dbraw/zinc/50/74/79/932507479.db2.gz XMKORRXDFPTDBN-ZIAGYGMSSA-N 1 3 357.311 3.839 20 0 FHADHO Cc1ncc([C@@H](C)N[C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)s1 ZINC000090408339 932881872 /nfs/dbraw/zinc/88/18/72/932881872.db2.gz SZHFBRHCBBUEGH-ZIAGYGMSSA-N 1 3 362.518 3.754 20 0 FHADHO Cc1ncc([C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2N2CCN(C)CC2)s1 ZINC000090408339 932881876 /nfs/dbraw/zinc/88/18/76/932881876.db2.gz SZHFBRHCBBUEGH-ZIAGYGMSSA-N 1 3 362.518 3.754 20 0 FHADHO CC(=O)Nc1cccc(CN2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)c1 ZINC000471854960 933155233 /nfs/dbraw/zinc/15/52/33/933155233.db2.gz CPJUATWKYYOETQ-JTHBVZDNSA-N 1 3 365.521 3.817 20 0 FHADHO C[C@@H]1C[N@H+](CC(C)(C)CN(C)Cc2ccccc2)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000430869092 933342264 /nfs/dbraw/zinc/34/22/64/933342264.db2.gz WYPYVIHTQYDEDE-VIZSFHNOSA-N 1 3 374.569 3.803 20 0 FHADHO C[C@@H]1C[N@@H+](CC(C)(C)CN(C)Cc2ccccc2)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000430869092 933342276 /nfs/dbraw/zinc/34/22/76/933342276.db2.gz WYPYVIHTQYDEDE-VIZSFHNOSA-N 1 3 374.569 3.803 20 0 FHADHO C[C@H](CCc1c(F)cccc1F)[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000510674981 933398377 /nfs/dbraw/zinc/39/83/77/933398377.db2.gz LMGSLRXVWKAVTQ-IKGGRYGDSA-N 1 3 354.485 3.765 20 0 FHADHO CC1CC[NH+](C[C@@H](O)CNCC(c2ccccc2)c2ccccc2)CC1 ZINC000510710711 933486830 /nfs/dbraw/zinc/48/68/30/933486830.db2.gz DTQADYFKYMZOSW-QFIPXVFZSA-N 1 3 352.522 3.501 20 0 FHADHO c1c(CN2CCC3(CC[NH2+]C3)CC2)c(-c2cccnc2)nn1-c1ccccc1 ZINC000430959349 933489790 /nfs/dbraw/zinc/48/97/90/933489790.db2.gz YLKOOWMQUKFQKN-UHFFFAOYSA-N 1 3 373.504 3.510 20 0 FHADHO CC(C)C(=O)NC[C@@H]1CCCN(CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000092706367 934141106 /nfs/dbraw/zinc/14/11/06/934141106.db2.gz AJQIIXFLJKBVTF-NRFANRHFSA-N 1 3 373.585 3.629 20 0 FHADHO CC(C)C(=O)NC[C@@H]1CCCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000092706367 934141108 /nfs/dbraw/zinc/14/11/08/934141108.db2.gz AJQIIXFLJKBVTF-NRFANRHFSA-N 1 3 373.585 3.629 20 0 FHADHO CSc1ccc([C@H](C)[NH2+]Cc2cccnc2N2CCN(C)CC2)cc1F ZINC000158466971 935584923 /nfs/dbraw/zinc/58/49/23/935584923.db2.gz XIMAGLGOTJSWFV-HNNXBMFYSA-N 1 3 374.529 3.545 20 0 FHADHO CCC[C@@H]1[C@@H](C)CCCN1C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000582429029 935688516 /nfs/dbraw/zinc/68/85/16/935688516.db2.gz HWKVJDYMLCAFLJ-GHTZIAJQSA-N 1 3 363.590 3.610 20 0 FHADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(CN3CCCCC3)c2)C[C@H]1C ZINC000413505578 935862859 /nfs/dbraw/zinc/86/28/59/935862859.db2.gz VBCQAQBQMYXMHY-WIYYLYMNSA-N 1 3 357.542 3.617 20 0 FHADHO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(CN3CCCCC3)c2)C[C@H]1C ZINC000413505578 935862861 /nfs/dbraw/zinc/86/28/61/935862861.db2.gz VBCQAQBQMYXMHY-WIYYLYMNSA-N 1 3 357.542 3.617 20 0 FHADHO CC[NH+](CC)CCOC1CCN(Cc2ccc(F)c3cccnc23)CC1 ZINC000075007505 936003040 /nfs/dbraw/zinc/00/30/40/936003040.db2.gz BOVDARBAGVSCPG-UHFFFAOYSA-N 1 3 359.489 3.697 20 0 FHADHO CCSc1cccc(CNCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c1 ZINC000657597020 936073170 /nfs/dbraw/zinc/07/31/70/936073170.db2.gz QRWDLYWYVFHWKV-FQEVSTJZSA-N 1 3 356.535 3.655 20 0 FHADHO CCSc1cccc(CNCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c1 ZINC000657597020 936073176 /nfs/dbraw/zinc/07/31/76/936073176.db2.gz QRWDLYWYVFHWKV-FQEVSTJZSA-N 1 3 356.535 3.655 20 0 FHADHO COc1cc(Cl)c(CNCC2(SC)CC[NH+](C)CC2)cc1Cl ZINC000582753717 936078359 /nfs/dbraw/zinc/07/83/59/936078359.db2.gz DRCVQDBAOUYXRX-UHFFFAOYSA-N 1 3 363.354 3.919 20 0 FHADHO CCCOc1cccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)c1 ZINC000657613303 936093469 /nfs/dbraw/zinc/09/34/69/936093469.db2.gz XPRDIGUPMHJTQL-UHFFFAOYSA-N 1 3 353.510 3.872 20 0 FHADHO c1cc(CN2CCC(C[NH2+]Cc3ccc(OCC4CC4)cc3)CC2)ccn1 ZINC000657613957 936099925 /nfs/dbraw/zinc/09/99/25/936099925.db2.gz YZPYKJVXQUZFFE-UHFFFAOYSA-N 1 3 365.521 3.872 20 0 FHADHO CC(C)Sc1ccc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000511195537 936100063 /nfs/dbraw/zinc/10/00/63/936100063.db2.gz DDEWFZWFCJXDHJ-RXVVDRJESA-N 1 3 361.599 3.645 20 0 FHADHO CC(C)Sc1ccc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000511195537 936100067 /nfs/dbraw/zinc/10/00/67/936100067.db2.gz DDEWFZWFCJXDHJ-RXVVDRJESA-N 1 3 361.599 3.645 20 0 FHADHO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000294702554 945148487 /nfs/dbraw/zinc/14/84/87/945148487.db2.gz BJVMLYIMPRPHNL-AVOUXACISA-N 1 3 369.431 3.637 20 0 FHADHO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000294702554 945148493 /nfs/dbraw/zinc/14/84/93/945148493.db2.gz BJVMLYIMPRPHNL-AVOUXACISA-N 1 3 369.431 3.637 20 0 FHADHO COCC[C@H](c1ccccc1)[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000536034201 938261853 /nfs/dbraw/zinc/26/18/53/938261853.db2.gz BJEOGMJFEAZLOS-XQBPLPMBSA-N 1 3 360.542 3.585 20 0 FHADHO Cc1cc(Br)c(CN2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)s1 ZINC000650708777 938291343 /nfs/dbraw/zinc/29/13/43/938291343.db2.gz MDIKRDUZWPNUKB-YDHLFZDLSA-N 1 3 373.360 3.537 20 0 FHADHO CC(C)(C)OC(=O)NC[C@@H](NC1CC[NH+](C2CCCCC2)CC1)C1CC1 ZINC000161773601 938307557 /nfs/dbraw/zinc/30/75/57/938307557.db2.gz XFZVJPFMDGOYBH-LJQANCHMSA-N 1 3 365.562 3.676 20 0 FHADHO CC(C)(C)OC(=O)NC[C@@H]([NH2+]C1CCN(C2CCCCC2)CC1)C1CC1 ZINC000161773601 938307559 /nfs/dbraw/zinc/30/75/59/938307559.db2.gz XFZVJPFMDGOYBH-LJQANCHMSA-N 1 3 365.562 3.676 20 0 FHADHO CC(C)C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccncc1 ZINC000647299427 938307873 /nfs/dbraw/zinc/30/78/73/938307873.db2.gz GJIZDGCCBSMKTC-XZOQPEGZSA-N 1 3 367.537 3.915 20 0 FHADHO CC(C)C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccncc1 ZINC000647299427 938307875 /nfs/dbraw/zinc/30/78/75/938307875.db2.gz GJIZDGCCBSMKTC-XZOQPEGZSA-N 1 3 367.537 3.915 20 0 FHADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2Cc2cnc(-c3cccs3)s2)C1 ZINC000650723903 938311120 /nfs/dbraw/zinc/31/11/20/938311120.db2.gz VSXDZPHHMQAOQU-BMFZPTHFSA-N 1 3 363.552 3.732 20 0 FHADHO CC(C)(C(=O)NC[C@@H](c1ccccc1)N1CCCC1)[C@@H]([NH3+])c1ccccc1 ZINC000583690180 938359263 /nfs/dbraw/zinc/35/92/63/938359263.db2.gz HNUJANCZIHRYBA-SFTDATJTSA-N 1 3 365.521 3.666 20 0 FHADHO CC(C)[N@H+](C)C[C@H](O)CN[C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000660538273 945180179 /nfs/dbraw/zinc/18/01/79/945180179.db2.gz NSGKJOWLLBLZDS-KURKYZTESA-N 1 3 358.448 3.632 20 0 FHADHO CC(C)[N@@H+](C)C[C@H](O)CN[C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000660538273 945180185 /nfs/dbraw/zinc/18/01/85/945180185.db2.gz NSGKJOWLLBLZDS-KURKYZTESA-N 1 3 358.448 3.632 20 0 FHADHO CC[NH+]1CCC(N2CCC(C(=O)NCC[C@H](C)CC(C)(C)C)CC2)CC1 ZINC000584003646 938533116 /nfs/dbraw/zinc/53/31/16/938533116.db2.gz LFXZFPQUXWKYBL-SFHVURJKSA-N 1 3 365.606 3.761 20 0 FHADHO COc1ccc(CC[NH2+]C2CCN(C(C)(C)C)CC2)c(Cl)c1OC ZINC000584008750 938539758 /nfs/dbraw/zinc/53/97/58/938539758.db2.gz GJOZQSPAINWEPX-UHFFFAOYSA-N 1 3 354.922 3.752 20 0 FHADHO COc1ccc(CCNC2CC[NH+](C(C)(C)C)CC2)c(Cl)c1OC ZINC000584008750 938539760 /nfs/dbraw/zinc/53/97/60/938539760.db2.gz GJOZQSPAINWEPX-UHFFFAOYSA-N 1 3 354.922 3.752 20 0 FHADHO C[NH+](C)CCNC(=O)c1ccc(CNCc2ccc(C(C)(C)C)s2)cc1 ZINC000127416917 938648898 /nfs/dbraw/zinc/64/88/98/938648898.db2.gz LNOBVBWAHDMQKT-UHFFFAOYSA-N 1 3 373.566 3.627 20 0 FHADHO CC[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCCN1CCN(CC)CC1 ZINC000657837034 938667814 /nfs/dbraw/zinc/66/78/14/938667814.db2.gz XJVVMUBSTLLGFN-LJQANCHMSA-N 1 3 371.491 3.644 20 0 FHADHO CO[C@H](C[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1)c1ccccc1 ZINC000584414925 938834111 /nfs/dbraw/zinc/83/41/11/938834111.db2.gz OFAQJPBFXZOXIO-WOIUINJBSA-N 1 3 360.542 3.585 20 0 FHADHO CCc1ccc([C@H](CO)N[C@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000090844185 938883505 /nfs/dbraw/zinc/88/35/05/938883505.db2.gz BTYAYRZYQMZZQK-VGSWGCGISA-N 1 3 356.510 3.574 20 0 FHADHO COc1cccc2c1CC[C@H]([NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1)C2 ZINC000415008355 945215190 /nfs/dbraw/zinc/21/51/90/945215190.db2.gz SKVFVIZACBQPFD-SESVDKBCSA-N 1 3 368.496 3.675 20 0 FHADHO Cn1cnc2cc(C[N@@H+]3CC[C@@]4(CCN(Cc5ccccc5)C4)C3)ccc21 ZINC000685443099 938986910 /nfs/dbraw/zinc/98/69/10/938986910.db2.gz WOUGZRVUKGGKKH-HSZRJFAPSA-N 1 3 360.505 3.671 20 0 FHADHO Cn1cnc2cc(C[N@H+]3CC[C@@]4(CCN(Cc5ccccc5)C4)C3)ccc21 ZINC000685443099 938986911 /nfs/dbraw/zinc/98/69/11/938986911.db2.gz WOUGZRVUKGGKKH-HSZRJFAPSA-N 1 3 360.505 3.671 20 0 FHADHO CCc1oc2ccccc2c1CN(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000685457841 938988018 /nfs/dbraw/zinc/98/80/18/938988018.db2.gz PRTRVBVOQVPVDN-GOSISDBHSA-N 1 3 355.526 3.596 20 0 FHADHO CCc1oc2ccccc2c1CN(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000685457841 938988019 /nfs/dbraw/zinc/98/80/19/938988019.db2.gz PRTRVBVOQVPVDN-GOSISDBHSA-N 1 3 355.526 3.596 20 0 FHADHO C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000708563117 938991565 /nfs/dbraw/zinc/99/15/65/938991565.db2.gz USDXXKGDBJWUTG-ZVDOUQERSA-N 1 3 365.521 3.761 20 0 FHADHO C[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1cc2cnccc2o1 ZINC000658036975 939020143 /nfs/dbraw/zinc/02/01/43/939020143.db2.gz SRLWPYUNYSBCGU-KRWDZBQOSA-N 1 3 365.477 3.506 20 0 FHADHO C[C@H](NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccc(F)c(Cl)c1 ZINC000658141276 939035476 /nfs/dbraw/zinc/03/54/76/939035476.db2.gz SKTBIFSBCSDIKZ-KSSFIOAISA-N 1 3 362.876 3.897 20 0 FHADHO C[C@H](NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc(F)c(Cl)c1 ZINC000658141276 939035478 /nfs/dbraw/zinc/03/54/78/939035478.db2.gz SKTBIFSBCSDIKZ-KSSFIOAISA-N 1 3 362.876 3.897 20 0 FHADHO Cc1nc(C(C)C)sc1[C@@H](C)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658137378 939041087 /nfs/dbraw/zinc/04/10/87/939041087.db2.gz GNMCBWBTJLJDSS-DNVCBOLYSA-N 1 3 373.566 3.992 20 0 FHADHO Cc1nc(C(C)C)sc1[C@@H](C)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658137378 939041093 /nfs/dbraw/zinc/04/10/93/939041093.db2.gz GNMCBWBTJLJDSS-DNVCBOLYSA-N 1 3 373.566 3.992 20 0 FHADHO C[C@H](NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cnc2ccsc2c1 ZINC000658139551 939042749 /nfs/dbraw/zinc/04/27/49/939042749.db2.gz MZGHPBGPDPLBCK-HNAYVOBHSA-N 1 3 367.518 3.714 20 0 FHADHO C[C@H](NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cnc2ccsc2c1 ZINC000658139551 939042754 /nfs/dbraw/zinc/04/27/54/939042754.db2.gz MZGHPBGPDPLBCK-HNAYVOBHSA-N 1 3 367.518 3.714 20 0 FHADHO CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658163734 939051915 /nfs/dbraw/zinc/05/19/15/939051915.db2.gz AJRBLZMCSGNIIZ-XMSQKQJNSA-N 1 3 353.510 3.659 20 0 FHADHO CO[C@H](c1ccccc1)[C@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658163729 939052213 /nfs/dbraw/zinc/05/22/13/939052213.db2.gz AJRBLZMCSGNIIZ-AVRDEDQJSA-N 1 3 353.510 3.659 20 0 FHADHO COc1ncc([C@@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1Cl ZINC000658166089 939053321 /nfs/dbraw/zinc/05/33/21/939053321.db2.gz MHTZFDPQJRRBEP-OAHLLOKOSA-N 1 3 374.916 3.701 20 0 FHADHO Fc1ccc(C2CC([NH2+]CC3CCN(Cc4ccncc4)CC3)C2)cc1 ZINC000658166292 939054198 /nfs/dbraw/zinc/05/41/98/939054198.db2.gz NRMLPGOSVQUPNL-UHFFFAOYSA-N 1 3 353.485 3.969 20 0 FHADHO COc1ccc([C@@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1F ZINC000658167317 939055065 /nfs/dbraw/zinc/05/50/65/939055065.db2.gz RMXGUAVWYMOUOZ-MRXNPFEDSA-N 1 3 357.473 3.792 20 0 FHADHO CC[C@H]([NH2+][C@@H]1C[C@H](N)c2ccccc21)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000570442114 940310267 /nfs/dbraw/zinc/31/02/67/940310267.db2.gz OMGPADDBKPVAMZ-KJJMTIBFSA-N 1 3 361.493 3.689 20 0 FHADHO CC(=O)N1CC[C@@H](NCCC[N@@H+](C)Cc2ccccc2)c2ccccc2C1 ZINC000376177193 940422781 /nfs/dbraw/zinc/42/27/81/940422781.db2.gz GAURJKXEJGGWFR-HSZRJFAPSA-N 1 3 365.521 3.592 20 0 FHADHO CC(=O)N1CC[C@@H](NCCC[N@H+](C)Cc2ccccc2)c2ccccc2C1 ZINC000376177193 940422782 /nfs/dbraw/zinc/42/27/82/940422782.db2.gz GAURJKXEJGGWFR-HSZRJFAPSA-N 1 3 365.521 3.592 20 0 FHADHO Cc1ccc(CNC[C@H]2CCC[N@@H+](CC(C)C)C2)c(-c2ccnn2C)c1 ZINC000548981452 940427225 /nfs/dbraw/zinc/42/72/25/940427225.db2.gz TWDKLOHYCLJLPO-LJQANCHMSA-N 1 3 354.542 3.853 20 0 FHADHO Cc1ccc(CNC[C@H]2CCC[N@H+](CC(C)C)C2)c(-c2ccnn2C)c1 ZINC000548981452 940427227 /nfs/dbraw/zinc/42/72/27/940427227.db2.gz TWDKLOHYCLJLPO-LJQANCHMSA-N 1 3 354.542 3.853 20 0 FHADHO CCN1CCN(CCC[NH2+][C@@H]2CCC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000414070065 940476551 /nfs/dbraw/zinc/47/65/51/940476551.db2.gz RZHBXJSWDRDZED-PZJWPPBQSA-N 1 3 363.977 3.983 20 0 FHADHO CCn1cc([C@@H]2OCC[C@H]2CNC2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)cn1 ZINC000414257078 940845006 /nfs/dbraw/zinc/84/50/06/940845006.db2.gz WVGNRCJKLMMMSK-MOXQZVSFSA-N 1 3 374.573 3.613 20 0 FHADHO C[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1cc2c(s1)CCC2 ZINC000414293444 940907433 /nfs/dbraw/zinc/90/74/33/940907433.db2.gz BIGKREIXZNEKSF-KRWDZBQOSA-N 1 3 370.562 3.915 20 0 FHADHO OC1(C[NH2+][C@H](c2cccnc2)C2CCC2)CCN(Cc2ccccc2)CC1 ZINC000414313309 940945928 /nfs/dbraw/zinc/94/59/28/940945928.db2.gz YCYXUEYZWYWAIX-QFIPXVFZSA-N 1 3 365.521 3.540 20 0 FHADHO Cc1ccc(-c2noc(CCC[N@H+]3CCC[C@@]4(CCN(C)C4)C3)n2)cc1F ZINC000660659735 945364053 /nfs/dbraw/zinc/36/40/53/945364053.db2.gz QJZNWDKVSSXGQL-NRFANRHFSA-N 1 3 372.488 3.534 20 0 FHADHO Cc1ccc(-c2noc(CCC[N@@H+]3CCC[C@@]4(CCN(C)C4)C3)n2)cc1F ZINC000660659735 945364065 /nfs/dbraw/zinc/36/40/65/945364065.db2.gz QJZNWDKVSSXGQL-NRFANRHFSA-N 1 3 372.488 3.534 20 0 FHADHO CCN1CCN([C@H](C)C[NH2+][C@@H]2CCc3cc(Cl)cc(Cl)c32)CC1 ZINC000134317476 941012425 /nfs/dbraw/zinc/01/24/25/941012425.db2.gz PXYBWSYADSCHMQ-CXAGYDPISA-N 1 3 356.341 3.596 20 0 FHADHO CCN1CCN(C[C@@H](C)C[NH2+][C@@H]2CCc3cc(Cl)cc(Cl)c32)CC1 ZINC000134379126 941062504 /nfs/dbraw/zinc/06/25/04/941062504.db2.gz IKQGZNIGVUNNSR-KBXCAEBGSA-N 1 3 370.368 3.844 20 0 FHADHO Cc1cc(C[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)ccc1C(F)(F)F ZINC000414380825 941073229 /nfs/dbraw/zinc/07/32/29/941073229.db2.gz OXBKQZMRKWGCEU-MOPGFXCFSA-N 1 3 370.459 3.871 20 0 FHADHO C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423369526 941093110 /nfs/dbraw/zinc/09/31/10/941093110.db2.gz FAXLPJNDLZDRCY-QXAKKESOSA-N 1 3 364.493 3.834 20 0 FHADHO CC[C@@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1cccc(F)c1 ZINC000187804269 941126629 /nfs/dbraw/zinc/12/66/29/941126629.db2.gz DOKZBMCIMNYTEA-JOCHJYFZSA-N 1 3 355.501 3.814 20 0 FHADHO C[C@H]1C[C@H](NC(=O)c2cccc(CN(C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000177479501 941128478 /nfs/dbraw/zinc/12/84/78/941128478.db2.gz RQZGGHQPXBOLEY-PGRDOPGGSA-N 1 3 365.521 3.531 20 0 FHADHO C[C@H]1C[C@H](NC(=O)c2cccc(CN(C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000177479501 941128479 /nfs/dbraw/zinc/12/84/79/941128479.db2.gz RQZGGHQPXBOLEY-PGRDOPGGSA-N 1 3 365.521 3.531 20 0 FHADHO CC[N@H+](Cc1ccc(C(=O)NC[C@H](c2ccccc2)N(C)C)cc1)C1CC1 ZINC000511512934 941145992 /nfs/dbraw/zinc/14/59/92/941145992.db2.gz NGBYNOJGJRMDKO-JOCHJYFZSA-N 1 3 365.521 3.704 20 0 FHADHO CC[N@@H+](Cc1ccc(C(=O)NC[C@H](c2ccccc2)N(C)C)cc1)C1CC1 ZINC000511512934 941145994 /nfs/dbraw/zinc/14/59/94/941145994.db2.gz NGBYNOJGJRMDKO-JOCHJYFZSA-N 1 3 365.521 3.704 20 0 FHADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)C[C@H]2NCc3ccccc32)CC1 ZINC000659286945 941147472 /nfs/dbraw/zinc/14/74/72/941147472.db2.gz UBHILLCREKCJID-HTAPYJJXSA-N 1 3 363.505 3.563 20 0 FHADHO CC(C)(C)c1ncc(C[NH2+]C[C@]2(C)CCN(Cc3ccccc3)C2)cn1 ZINC000311414831 941288059 /nfs/dbraw/zinc/28/80/59/941288059.db2.gz CWOITTWHRYLGQX-QFIPXVFZSA-N 1 3 352.526 3.776 20 0 FHADHO COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)ccc1O ZINC000178801483 941306502 /nfs/dbraw/zinc/30/65/02/941306502.db2.gz JULUMYQFNRFNOJ-IHWFROFDSA-N 1 3 352.478 3.686 20 0 FHADHO CCCCc1oc2ccccc2c1C[N@@H+]1CCC[C@H](n2cc(CN)nn2)C1 ZINC000415131127 941623859 /nfs/dbraw/zinc/62/38/59/941623859.db2.gz SBWPAAWBFHDNJA-KRWDZBQOSA-N 1 3 367.497 3.663 20 0 FHADHO CCCCc1oc2ccccc2c1C[N@H+]1CCC[C@H](n2cc(CN)nn2)C1 ZINC000415131127 941623861 /nfs/dbraw/zinc/62/38/61/941623861.db2.gz SBWPAAWBFHDNJA-KRWDZBQOSA-N 1 3 367.497 3.663 20 0 FHADHO [NH3+]C1(CNCc2ccc(F)cc2Cl)CCN(Cc2ccccc2)CC1 ZINC000415136768 941626224 /nfs/dbraw/zinc/62/62/24/941626224.db2.gz RXENYUNRPSAQLK-UHFFFAOYSA-N 1 3 361.892 3.562 20 0 FHADHO O=C(CCCC[NH+]1CCCC1)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000729368762 941737329 /nfs/dbraw/zinc/73/73/29/941737329.db2.gz LRTHFCMKGNZJDK-NRFANRHFSA-N 1 3 357.542 3.596 20 0 FHADHO CC[NH+](CC)CC1CCN(Cc2cnc(-c3ccccc3OC)nc2)CC1 ZINC000430013776 941800292 /nfs/dbraw/zinc/80/02/92/941800292.db2.gz RNPHNNOTJHZLRX-UHFFFAOYSA-N 1 3 368.525 3.706 20 0 FHADHO COc1ccc2c(c1)CCC[C@@H]2N(C)C1CC[NH+](C2CCOCC2)CC1 ZINC000377650793 941866290 /nfs/dbraw/zinc/86/62/90/941866290.db2.gz NXWICUNLIZZNDM-QFIPXVFZSA-N 1 3 358.526 3.648 20 0 FHADHO CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)cc1 ZINC000513464926 941942332 /nfs/dbraw/zinc/94/23/32/941942332.db2.gz GPFMJGIFAWWQHR-LJQANCHMSA-N 1 3 367.537 3.779 20 0 FHADHO C[C@@H]1C[C@@H]([NH2+]C[C@H](c2cccs2)N(C)C)CCN1Cc1ccccc1 ZINC000513481382 941957593 /nfs/dbraw/zinc/95/75/93/941957593.db2.gz BCIHSCRASKFCQH-YZGWKJHDSA-N 1 3 357.567 3.994 20 0 FHADHO C[C@@H]1C[C@@H](NC[C@H](c2cccs2)N(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000513481382 941957594 /nfs/dbraw/zinc/95/75/94/941957594.db2.gz BCIHSCRASKFCQH-YZGWKJHDSA-N 1 3 357.567 3.994 20 0 FHADHO C[C@@H]1C[C@@H](NC[C@H](c2cccs2)N(C)C)CC[N@H+]1Cc1ccccc1 ZINC000513481382 941957596 /nfs/dbraw/zinc/95/75/96/941957596.db2.gz BCIHSCRASKFCQH-YZGWKJHDSA-N 1 3 357.567 3.994 20 0 FHADHO CC[NH2+]Cc1cccc(NC(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)c1 ZINC000415923496 942152834 /nfs/dbraw/zinc/15/28/34/942152834.db2.gz VGTULYMVULCRFE-OXJNMPFZSA-N 1 3 354.498 3.609 20 0 FHADHO CC[NH2+]Cc1cccc(NC(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)c1 ZINC000415935237 942162066 /nfs/dbraw/zinc/16/20/66/942162066.db2.gz RHOCVCJTHVESMH-LAUBAEHRSA-N 1 3 366.509 3.753 20 0 FHADHO CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000502048403 942198306 /nfs/dbraw/zinc/19/83/06/942198306.db2.gz XQYZORRJPXBYRO-PZJWPPBQSA-N 1 3 357.542 3.571 20 0 FHADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@]2(C)Cc2ccc(F)cc2)CC1 ZINC000420933630 942261548 /nfs/dbraw/zinc/26/15/48/942261548.db2.gz WKJWEYSUAYDHEG-QFIPXVFZSA-N 1 3 361.549 3.639 20 0 FHADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@]2(C)Cc2ccc(F)cc2)CC1 ZINC000420933630 942261550 /nfs/dbraw/zinc/26/15/50/942261550.db2.gz WKJWEYSUAYDHEG-QFIPXVFZSA-N 1 3 361.549 3.639 20 0 FHADHO CC[NH+]1CCC(N2CCCN(Cc3cccc(C(F)F)c3)CC2)CC1 ZINC000420975930 942287889 /nfs/dbraw/zinc/28/78/89/942287889.db2.gz GIXCNSIZPFWFFB-UHFFFAOYSA-N 1 3 351.485 3.616 20 0 FHADHO CC[C@H]1CN(CCC(=O)Nc2ccccc2Oc2ccccc2)CC[C@H]1[NH3+] ZINC000647938307 942487299 /nfs/dbraw/zinc/48/72/99/942487299.db2.gz JIQAMJOFJZEDHC-PKOBYXMFSA-N 1 3 367.493 3.867 20 0 FHADHO Cc1ccc(NC(=O)C[C@@H](C)N[C@@H](C[NH3+])C2CCCCC2)c(Cl)c1 ZINC000414832544 942505949 /nfs/dbraw/zinc/50/59/49/942505949.db2.gz DSWYTYAILLJXCD-KDOFPFPSSA-N 1 3 351.922 3.863 20 0 FHADHO CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)cc1 ZINC000513825100 942554916 /nfs/dbraw/zinc/55/49/16/942554916.db2.gz VZRZWQAUJSAMAO-XMSQKQJNSA-N 1 3 367.537 3.950 20 0 FHADHO COc1ccc([C@@H](CN)C[N@@H+]2CCC[C@@H]2c2cccc(N(C)C)c2)cc1 ZINC000420328219 942630524 /nfs/dbraw/zinc/63/05/24/942630524.db2.gz ZQGHMLSORAMYLT-SIKLNZKXSA-N 1 3 353.510 3.641 20 0 FHADHO COc1ccc([C@@H](CN)C[N@H+]2CCC[C@@H]2c2cccc(N(C)C)c2)cc1 ZINC000420328219 942630529 /nfs/dbraw/zinc/63/05/29/942630529.db2.gz ZQGHMLSORAMYLT-SIKLNZKXSA-N 1 3 353.510 3.641 20 0 FHADHO O=C(CCN1CCCC[C@H]1[C@H]1CC[NH2+]C1)Nc1cccc2ccccc21 ZINC000420403441 942662058 /nfs/dbraw/zinc/66/20/58/942662058.db2.gz RMWSMUPKZWQHLH-RXVVDRJESA-N 1 3 351.494 3.632 20 0 FHADHO C[C@H]1CCN(CCC(=O)Nc2ccccc2Oc2ccccc2)C[C@@H]1C[NH3+] ZINC000420407712 942664492 /nfs/dbraw/zinc/66/44/92/942664492.db2.gz OOCOKSFWDAXBOQ-ROUUACIJSA-N 1 3 367.493 3.724 20 0 FHADHO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CC1(N)CCCCC1 ZINC000414850411 942871468 /nfs/dbraw/zinc/87/14/68/942871468.db2.gz YYNCWLDVJHFZIB-CYBMUJFWSA-N 1 3 357.420 3.674 20 0 FHADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)N[C@@H](C[NH3+])C1CCCCC1 ZINC000414856961 943030861 /nfs/dbraw/zinc/03/08/61/943030861.db2.gz ZUIXSCCSMNZERH-GUYCJALGSA-N 1 3 367.921 3.563 20 0 FHADHO C[NH2+]CC1CCN(Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC1 ZINC000414666952 943161353 /nfs/dbraw/zinc/16/13/53/943161353.db2.gz GWKRUDNPKVMNOC-UHFFFAOYSA-N 1 3 354.542 3.660 20 0 FHADHO C[C@H](N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1cccc(N2CCOCC2)c1 ZINC000272664832 943197157 /nfs/dbraw/zinc/19/71/57/943197157.db2.gz IVPWQFADJDKAFI-IRFCIJBXSA-N 1 3 371.569 3.827 20 0 FHADHO C[C@H](N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1cccc(N2CCOCC2)c1 ZINC000272664832 943197165 /nfs/dbraw/zinc/19/71/65/943197165.db2.gz IVPWQFADJDKAFI-IRFCIJBXSA-N 1 3 371.569 3.827 20 0 FHADHO C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc2c(c1)COC2 ZINC000272774829 943218505 /nfs/dbraw/zinc/21/85/05/943218505.db2.gz UDXTUPQYTZQEMK-UZUQRXQVSA-N 1 3 366.505 3.524 20 0 FHADHO C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc2c(c1)COC2 ZINC000272774829 943218508 /nfs/dbraw/zinc/21/85/08/943218508.db2.gz UDXTUPQYTZQEMK-UZUQRXQVSA-N 1 3 366.505 3.524 20 0 FHADHO Cc1nc(C[NH3+])ccc1[C@H](C)NCc1ccc(OCc2ccccn2)cc1 ZINC000422700154 943237186 /nfs/dbraw/zinc/23/71/86/943237186.db2.gz BNVQKWXFIWYVMA-INIZCTEOSA-N 1 3 362.477 3.674 20 0 FHADHO NC[C@@H]1CCC[C@@H]1[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000422734752 943251839 /nfs/dbraw/zinc/25/18/39/943251839.db2.gz TXNNTEPMGWNATK-KSSFIOAISA-N 1 3 356.341 3.675 20 0 FHADHO C[C@H]1CC[NH2+]C[C@@H]1NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000422726340 943260689 /nfs/dbraw/zinc/26/06/89/943260689.db2.gz DQBSBCJIIQFHAO-UGSOOPFHSA-N 1 3 356.341 3.545 20 0 FHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC1(c2cccc(Br)c2)CC1 ZINC000422743458 943268840 /nfs/dbraw/zinc/26/88/40/943268840.db2.gz IRHUJOYNUOGLIG-ZDUSSCGKSA-N 1 3 374.326 3.994 20 0 FHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000422769309 943276639 /nfs/dbraw/zinc/27/66/39/943276639.db2.gz OPIYSFMMVDYKAN-QVKFZJNVSA-N 1 3 355.482 3.668 20 0 FHADHO CCN(c1ccccc1)c1ccc(CN[C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])cc1 ZINC000422789337 943293491 /nfs/dbraw/zinc/29/34/91/943293491.db2.gz ODTAVIFOKDYPFA-VOQZNFBZSA-N 1 3 353.510 3.687 20 0 FHADHO CC(C)Oc1ccc(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422822908 943295694 /nfs/dbraw/zinc/29/56/94/943295694.db2.gz BURJVAVMFVILML-UNMCSNQZSA-N 1 3 352.478 3.819 20 0 FHADHO CCOCc1ccc(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422835270 943299530 /nfs/dbraw/zinc/29/95/30/943299530.db2.gz PDJLSBVRUULHBM-UNMCSNQZSA-N 1 3 352.478 3.569 20 0 FHADHO N[C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000422841643 943311469 /nfs/dbraw/zinc/31/14/69/943311469.db2.gz DJWRQLJXZSMHRC-PMACEKPBSA-N 1 3 355.457 3.828 20 0 FHADHO C[C@H]([NH2+]CC1CCN(Cc2ccccc2Cl)CC1)c1cnccc1N ZINC000422878907 943314100 /nfs/dbraw/zinc/31/41/00/943314100.db2.gz LGGJFTMSVPQOAV-HNNXBMFYSA-N 1 3 358.917 3.710 20 0 FHADHO CC[C@H](C)[C@H](N[C@H](C)C[C@@H](C)[NH3+])C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000422882494 943316584 /nfs/dbraw/zinc/31/65/84/943316584.db2.gz AUXCUNOVXGRTDG-JYLXEMOASA-N 1 3 373.585 3.598 20 0 FHADHO CC(C)N1CCN(C2CC[NH+](Cc3cccc(C(C)(C)C)c3)CC2)CC1 ZINC000660152111 943330453 /nfs/dbraw/zinc/33/04/53/943330453.db2.gz ZXEKUOGMRLIINA-UHFFFAOYSA-N 1 3 357.586 3.975 20 0 FHADHO CC(C)(CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)c1c(F)cccc1Cl ZINC000422916845 943330414 /nfs/dbraw/zinc/33/04/14/943330414.db2.gz BQXAAXKXGSDOKM-RRQGHBQHSA-N 1 3 354.897 3.503 20 0 FHADHO COc1ccc(C)cc1C1(CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)CCOCC1 ZINC000422893537 943330833 /nfs/dbraw/zinc/33/08/33/943330833.db2.gz ADOTVVOFXDWIQI-NHCUHLMSSA-N 1 3 366.505 3.786 20 0 FHADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCc1ccccc1OC(F)(F)F ZINC000422924331 943332588 /nfs/dbraw/zinc/33/25/88/943332588.db2.gz AODUUYMEYZANLX-WMLDXEAASA-N 1 3 352.400 3.676 20 0 FHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H](C)Cc1ccccc1Br ZINC000422928808 943334495 /nfs/dbraw/zinc/33/44/95/943334495.db2.gz MSMBPVTZFLSSSX-STQMWFEESA-N 1 3 362.315 3.893 20 0 FHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCc1ccc(F)c(Br)c1 ZINC000422940166 943339243 /nfs/dbraw/zinc/33/92/43/943339243.db2.gz SEXMQZUXVTYMAR-NSHDSACASA-N 1 3 366.278 3.644 20 0 FHADHO CCN(CC)[C@H](CNC(=O)CC[C@H]1CCCC[N@@H+]1C)c1ccsc1 ZINC000431922376 943347044 /nfs/dbraw/zinc/34/70/44/943347044.db2.gz KSNFJGYSYPVYET-QZTJIDSGSA-N 1 3 351.560 3.512 20 0 FHADHO CCN(CC)[C@H](CNC(=O)CC[C@H]1CCCC[N@H+]1C)c1ccsc1 ZINC000431922376 943347050 /nfs/dbraw/zinc/34/70/50/943347050.db2.gz KSNFJGYSYPVYET-QZTJIDSGSA-N 1 3 351.560 3.512 20 0 FHADHO CCN(CC)[C@H](CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccco1 ZINC000422973355 943355115 /nfs/dbraw/zinc/35/51/15/943355115.db2.gz ODNDUMBGBFUGQW-KNKQGSTJSA-N 1 3 369.509 3.508 20 0 FHADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1ccc(Sc2ccc(F)cc2)cc1 ZINC000423012484 943364018 /nfs/dbraw/zinc/36/40/18/943364018.db2.gz DEIBXOVLVUNLQB-VHKYSDTDSA-N 1 3 360.498 3.819 20 0 FHADHO [NH3+][C@@H]1CC[C@H]2CN(Cc3cccc(NC(=O)c4ccc(Cl)cc4)c3)C[C@@H]12 ZINC000435381701 943369556 /nfs/dbraw/zinc/36/95/56/943369556.db2.gz VITGFUUEAUXWGD-PWIZWCRZSA-N 1 3 369.896 3.761 20 0 FHADHO C[C@@H]1CC[NH2+]C[C@H]1NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000423036501 943373378 /nfs/dbraw/zinc/37/33/78/943373378.db2.gz UEUNSZRWQFXSGR-FZKQIMNGSA-N 1 3 356.341 3.545 20 0 FHADHO CC(C)c1ccc([C@H]2CCCC[N@@H+]2C[C@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414713238 943373752 /nfs/dbraw/zinc/37/37/52/943373752.db2.gz UDRPPLHLYBJJSF-WIYYLYMNSA-N 1 3 357.542 3.534 20 0 FHADHO CC(C)c1ccc([C@H]2CCCC[N@H+]2C[C@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414713238 943373758 /nfs/dbraw/zinc/37/37/58/943373758.db2.gz UDRPPLHLYBJJSF-WIYYLYMNSA-N 1 3 357.542 3.534 20 0 FHADHO CCN(Cc1ccc(Br)c2cccnc12)[C@H]1CCC[NH2+]CC1 ZINC000435387032 943375028 /nfs/dbraw/zinc/37/50/28/943375028.db2.gz WKCVDVFUVKIFFX-HNNXBMFYSA-N 1 3 362.315 3.961 20 0 FHADHO C[NH2+]CC1CCN(Cc2ccc(OC)c(OCc3ccccc3)c2)CC1 ZINC000435387079 943375051 /nfs/dbraw/zinc/37/50/51/943375051.db2.gz WVMPJZXMCBLKKJ-UHFFFAOYSA-N 1 3 354.494 3.706 20 0 FHADHO Fc1ccc(N2CC[C@H](N[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)C2)cc1Cl ZINC000423040651 943375285 /nfs/dbraw/zinc/37/52/85/943375285.db2.gz HSHYQOUXJWDNGN-JECZMYCTSA-N 1 3 351.897 3.568 20 0 FHADHO COC[C@@H](CCC[NH3+])N[C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21 ZINC000423051386 943383599 /nfs/dbraw/zinc/38/35/99/943383599.db2.gz NZBKFTRIOVITLO-HZPDHXFCSA-N 1 3 363.502 3.670 20 0 FHADHO CN(C)[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1cccc(C(F)(F)F)c1 ZINC000423049581 943383637 /nfs/dbraw/zinc/38/36/37/943383637.db2.gz KGUIJDUFKNLBGU-WJFTUGDTSA-N 1 3 369.475 3.818 20 0 FHADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCC1(c2c(Cl)cccc2Cl)CCC1 ZINC000423084194 943388078 /nfs/dbraw/zinc/38/80/78/943388078.db2.gz HPDAYGAOGHEUNE-ZENOOKHLSA-N 1 3 357.325 3.757 20 0 FHADHO CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000423114417 943395951 /nfs/dbraw/zinc/39/59/51/943395951.db2.gz VPQHEVWQDJAANI-LVOPCWDJSA-N 1 3 353.510 3.851 20 0 FHADHO CC(C)Oc1ccc([C@H](CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)N(C)C)cc1 ZINC000423122959 943397967 /nfs/dbraw/zinc/39/79/67/943397967.db2.gz KJZJKJPOYHKSQU-ACESQOTJSA-N 1 3 373.585 3.977 20 0 FHADHO CC(C)Oc1ccc([C@H](C[NH2+][C@H](Cc2ccccc2)[C@@H](C)N)N(C)C)cc1 ZINC000423127862 943399435 /nfs/dbraw/zinc/39/94/35/943399435.db2.gz PTAADZFSTOYVEQ-YSZBQJHXSA-N 1 3 369.553 3.625 20 0 FHADHO CC(C)Oc1ccc([C@H](CN[C@H](Cc2ccccc2)[C@@H](C)[NH3+])N(C)C)cc1 ZINC000423127862 943399443 /nfs/dbraw/zinc/39/94/43/943399443.db2.gz PTAADZFSTOYVEQ-YSZBQJHXSA-N 1 3 369.553 3.625 20 0 FHADHO FC(F)(F)c1cccc([C@H]2C[C@H](N[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)C2)c1 ZINC000423103700 943401067 /nfs/dbraw/zinc/40/10/67/943401067.db2.gz XVYPEQMOCLHGLY-RXABAKJHSA-N 1 3 368.443 3.698 20 0 FHADHO COC[C@H](CCC[NH3+])N[C@H](Cc1ccccc1)c1nc2ccccc2s1 ZINC000423155722 943412333 /nfs/dbraw/zinc/41/23/33/943412333.db2.gz LNMQHTLCDXWJOZ-PKOBYXMFSA-N 1 3 369.534 3.924 20 0 FHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000423132796 943413608 /nfs/dbraw/zinc/41/36/08/943413608.db2.gz UWKOICLUKSRARL-AOMKIAJQSA-N 1 3 370.541 3.589 20 0 FHADHO c1nc(SC2CCCC2)ncc1CCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423138989 943416349 /nfs/dbraw/zinc/41/63/49/943416349.db2.gz UTQGMCFXWJKDNX-HSALFYBXSA-N 1 3 374.598 3.954 20 0 FHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H](C)Cc1cn(C)c2ccc(F)cc12 ZINC000423177372 943427847 /nfs/dbraw/zinc/42/78/47/943427847.db2.gz HJBVHMJWIREAHV-UONOGXRCSA-N 1 3 354.473 3.761 20 0 FHADHO COc1ccc(C[C@H](NC[C@H]2CCC[NH2+]C2)c2ccc(OC)cc2)cc1 ZINC000423206038 943430733 /nfs/dbraw/zinc/43/07/33/943430733.db2.gz FPZBOMMNWZBOFH-AVRDEDQJSA-N 1 3 354.494 3.577 20 0 FHADHO COc1ccc(C[C@H](NC[C@@H]2CCC[NH2+]C2)c2ccc(OC)cc2)cc1 ZINC000423206039 943430892 /nfs/dbraw/zinc/43/08/92/943430892.db2.gz FPZBOMMNWZBOFH-GCJKJVERSA-N 1 3 354.494 3.577 20 0 FHADHO FC(F)(F)Oc1ccc2c(c1)[C@H](NCCC[NH2+]Cc1cccnc1)CC2 ZINC000423187067 943435101 /nfs/dbraw/zinc/43/51/01/943435101.db2.gz LQQCPZIGXLJIOA-GOSISDBHSA-N 1 3 365.399 3.737 20 0 FHADHO Cc1c([C@@H](C)NC[C@H]2CC[C@H](C[NH3+])CC2)nnn1-c1ccc(Cl)cc1 ZINC000423419510 943504466 /nfs/dbraw/zinc/50/44/66/943504466.db2.gz IYHNPIWZAIUUNI-FVQBIDKESA-N 1 3 361.921 3.645 20 0 FHADHO COc1cc(NC(C)=O)ccc1[C@H](C)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000423500199 943530219 /nfs/dbraw/zinc/53/02/19/943530219.db2.gz KELFIYJRZBFJBY-YWZLYKJASA-N 1 3 355.482 3.784 20 0 FHADHO COc1ccc([C@H](C)[C@H](C)[NH2+]CC2(N)C3CC4CC(C3)CC2C4)cc1OC ZINC000423516050 943543364 /nfs/dbraw/zinc/54/33/64/943543364.db2.gz ANPPKSMFXWTTJK-GHGIDHQHSA-N 1 3 372.553 3.939 20 0 FHADHO C[C@H]([NH2+][C@@H]1CCCC[C@H]1N)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000424380387 943889282 /nfs/dbraw/zinc/88/92/82/943889282.db2.gz XCWQMPUDBMHZDY-ZLGUVYLKSA-N 1 3 364.493 3.834 20 0 FHADHO CCN(Cc1ccc(C)cc1)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000517172510 944064634 /nfs/dbraw/zinc/06/46/34/944064634.db2.gz XPOHIAMSTNSMDF-UHFFFAOYSA-N 1 3 371.569 3.540 20 0 FHADHO C[C@H](COc1ccc2cc(Br)ccc2c1)[NH2+]CC(C)(C)N ZINC000414811724 944081715 /nfs/dbraw/zinc/08/17/15/944081715.db2.gz ZXLZIOMGZREPGC-GFCCVEGCSA-N 1 3 351.288 3.697 20 0 FHADHO CCCN1CCN(c2ccccc2C[NH+]2CCC(OC3CCC3)CC2)CC1 ZINC000418098313 944151807 /nfs/dbraw/zinc/15/18/07/944151807.db2.gz YDJQWNBFFMSMSC-UHFFFAOYSA-N 1 3 371.569 3.752 20 0 FHADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000436281971 944161683 /nfs/dbraw/zinc/16/16/83/944161683.db2.gz HTUWDGCWVRZURO-QMCAAQAGSA-N 1 3 370.537 3.609 20 0 FHADHO Cc1ccc([C@@H](CNC(=O)CC[N@H+]2CCCC[C@@H]2C)N2CCCC2)cc1 ZINC000550142806 944277751 /nfs/dbraw/zinc/27/77/51/944277751.db2.gz IUMAJDZYZUBIMM-PZJWPPBQSA-N 1 3 357.542 3.513 20 0 FHADHO Cc1ccc([C@@H](CNC(=O)CC[N@@H+]2CCCC[C@@H]2C)N2CCCC2)cc1 ZINC000550142806 944277757 /nfs/dbraw/zinc/27/77/57/944277757.db2.gz IUMAJDZYZUBIMM-PZJWPPBQSA-N 1 3 357.542 3.513 20 0 FHADHO C[C@H](C[NH2+]C1CCN(CCc2ccc(F)cc2)CC1)N1CCCC[C@H]1C ZINC000518426209 944370494 /nfs/dbraw/zinc/37/04/94/944370494.db2.gz CBHPDSZNSOXWKC-RTBURBONSA-N 1 3 361.549 3.685 20 0 FHADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NCCCCOc2ccccc2)cc1 ZINC000414887545 944440117 /nfs/dbraw/zinc/44/01/17/944440117.db2.gz QREVRCCPMHAVPZ-VXKWHMMOSA-N 1 3 354.494 3.590 20 0 FHADHO Cc1ccc(NC(=O)C[C@H](C)NC[C@H]2CC[N@@H+](C(C)C)C2)c(Cl)c1 ZINC000516118026 944501760 /nfs/dbraw/zinc/50/17/60/944501760.db2.gz QSBJXNOJTQTLAH-JKSUJKDBSA-N 1 3 351.922 3.685 20 0 FHADHO Cc1ccc(NC(=O)C[C@H](C)NC[C@H]2CC[N@H+](C(C)C)C2)c(Cl)c1 ZINC000516118026 944501763 /nfs/dbraw/zinc/50/17/63/944501763.db2.gz QSBJXNOJTQTLAH-JKSUJKDBSA-N 1 3 351.922 3.685 20 0 FHADHO Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCN(C(C)C)C2)c(Cl)c1 ZINC000516118026 944501768 /nfs/dbraw/zinc/50/17/68/944501768.db2.gz QSBJXNOJTQTLAH-JKSUJKDBSA-N 1 3 351.922 3.685 20 0 FHADHO CCCC[N@H+](C)CC1CCN(C[C@@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000759846408 944537219 /nfs/dbraw/zinc/53/72/19/944537219.db2.gz XKNXLJIROCQEAB-LJQANCHMSA-N 1 3 356.913 3.956 20 0 FHADHO CCCC[N@@H+](C)CC1CCN(C[C@@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000759846408 944537227 /nfs/dbraw/zinc/53/72/27/944537227.db2.gz XKNXLJIROCQEAB-LJQANCHMSA-N 1 3 356.913 3.956 20 0 FHADHO c1ccc(CNC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)cc1 ZINC000550270471 944649347 /nfs/dbraw/zinc/64/93/47/944649347.db2.gz RNRWPVQUQMQFDM-JOCHJYFZSA-N 1 3 350.506 3.705 20 0 FHADHO c1ccc(CNC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cc1 ZINC000550270471 944649348 /nfs/dbraw/zinc/64/93/48/944649348.db2.gz RNRWPVQUQMQFDM-JOCHJYFZSA-N 1 3 350.506 3.705 20 0 FHADHO CC(C)(C)C(=O)N1CCC(CN2CCC([NH2+]Cc3ccccc3)CC2)CC1 ZINC000660677598 945384511 /nfs/dbraw/zinc/38/45/11/945384511.db2.gz NGLMHERPSQXJGG-UHFFFAOYSA-N 1 3 371.569 3.525 20 0 FHADHO c1c2cnccc2oc1C[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000651682224 945648142 /nfs/dbraw/zinc/64/81/42/945648142.db2.gz QLGMCNFZILZWAF-UHFFFAOYSA-N 1 3 364.493 3.520 20 0 FHADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(Cc2c(Cl)ccc3cccnc32)CC1 ZINC000415106726 945675653 /nfs/dbraw/zinc/67/56/53/945675653.db2.gz JUCKNXQOJBWQMC-UYAOXDASSA-N 1 3 359.901 3.607 20 0 FHADHO COCCCN1CCC([NH2+][C@@H](C)c2ccc(-c3ccccc3)cn2)CC1 ZINC000651695569 945697653 /nfs/dbraw/zinc/69/76/53/945697653.db2.gz OTCNTMQACJFJMA-SFHVURJKSA-N 1 3 353.510 3.900 20 0 FHADHO CCN1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccc(-c3ccccc3)cn2)CC1 ZINC000651705294 945727348 /nfs/dbraw/zinc/72/73/48/945727348.db2.gz NZLXYJQEOFUAAL-WOJBJXKFSA-N 1 3 366.553 3.673 20 0 FHADHO C[C@@H](c1ccccc1)N1CCC([NH2+]Cc2cnnn2-c2ccccc2)CC1 ZINC000651713489 945743829 /nfs/dbraw/zinc/74/38/29/945743829.db2.gz RVTSZTPJZHFTAN-SFHVURJKSA-N 1 3 361.493 3.583 20 0 FHADHO O[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)Cc1ccc(F)cc1 ZINC000519827547 945788887 /nfs/dbraw/zinc/78/88/87/945788887.db2.gz ZDXBEADJCSNRPH-WVUPVLJSSA-N 1 3 368.496 3.514 20 0 FHADHO O[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Cc1ccc(F)cc1 ZINC000519827547 945788893 /nfs/dbraw/zinc/78/88/93/945788893.db2.gz ZDXBEADJCSNRPH-WVUPVLJSSA-N 1 3 368.496 3.514 20 0 FHADHO CC(C)C1CCN([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000444186436 946042048 /nfs/dbraw/zinc/04/20/48/946042048.db2.gz BNTZUYTUDPNMGP-IBGZPJMESA-N 1 3 371.569 3.524 20 0 FHADHO CCCN1CCC[C@H]1C(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000522891767 946065301 /nfs/dbraw/zinc/06/53/01/946065301.db2.gz HWLOVPKQKVEFIS-JQVVWYNYSA-N 1 3 371.569 3.655 20 0 FHADHO CCCN1CCC[C@H]1C(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000522891767 946065317 /nfs/dbraw/zinc/06/53/17/946065317.db2.gz HWLOVPKQKVEFIS-JQVVWYNYSA-N 1 3 371.569 3.655 20 0 FHADHO CN1CCN(CC[NH2+]Cc2ccc(-c3ccccc3F)s2)CC1(C)C ZINC000441332168 946464100 /nfs/dbraw/zinc/46/41/00/946464100.db2.gz LHGXCHKRWJOONO-UHFFFAOYSA-N 1 3 361.530 3.670 20 0 FHADHO C[NH+](C)[C@H](CNC(=O)CNC(C)(C)c1cccc(Cl)c1)c1ccccc1 ZINC000475155151 946499473 /nfs/dbraw/zinc/49/94/73/946499473.db2.gz MHIDOXCWCOENOF-LJQANCHMSA-N 1 3 373.928 3.584 20 0 FHADHO C[C@@H]1CC([N@@H+]2CCC[C@@H]2CN2CCCC2)C[C@@H](C)N1Cc1ccccc1 ZINC001168059330 946670339 /nfs/dbraw/zinc/67/03/39/946670339.db2.gz DNFSGCUWVCAEDL-KCZVDYSFSA-N 1 3 355.570 3.988 20 0 FHADHO C[C@@H]1CC([N@H+]2CCC[C@@H]2CN2CCCC2)C[C@@H](C)N1Cc1ccccc1 ZINC001168059330 946670346 /nfs/dbraw/zinc/67/03/46/946670346.db2.gz DNFSGCUWVCAEDL-KCZVDYSFSA-N 1 3 355.570 3.988 20 0 FHADHO C[C@H]1CC(N2CCC(N3CCCC3=O)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168059360 946692142 /nfs/dbraw/zinc/69/21/42/946692142.db2.gz TWHKKJACLWEQPE-OALUTQOASA-N 1 3 369.553 3.515 20 0 FHADHO CC1CC[NH+](Cc2ccc(NC(=O)C[C@H](N)c3ccccc3)cc2)CC1 ZINC000119451145 946784298 /nfs/dbraw/zinc/78/42/98/946784298.db2.gz VQGSBGFXIONBLU-NRFANRHFSA-N 1 3 351.494 3.947 20 0 FHADHO C(O[C@@H]1CCC[C@@H]2C[N@@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C[C@@H]21)C1CC1 ZINC001167994012 946875489 /nfs/dbraw/zinc/87/54/89/946875489.db2.gz WLROAASWGDFJKK-ONFDHFMWSA-N 1 3 358.570 3.919 20 0 FHADHO C(O[C@@H]1CCC[C@@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C[C@@H]21)C1CC1 ZINC001167994012 946875502 /nfs/dbraw/zinc/87/55/02/946875502.db2.gz WLROAASWGDFJKK-ONFDHFMWSA-N 1 3 358.570 3.919 20 0 FHADHO C[C@H](c1ccccc1Br)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652347797 946877989 /nfs/dbraw/zinc/87/79/89/946877989.db2.gz MHPXRUOJRNZUJW-FSZRXZPDSA-N 1 3 367.331 3.728 20 0 FHADHO CC(C)Oc1ccc([C@H](C)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000182270744 946887706 /nfs/dbraw/zinc/88/77/06/946887706.db2.gz WUDJJKGJOSRKLO-AVRDEDQJSA-N 1 3 368.521 3.891 20 0 FHADHO CC(C)Oc1ccc([C@H](C)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1 ZINC000182270744 946887717 /nfs/dbraw/zinc/88/77/17/946887717.db2.gz WUDJJKGJOSRKLO-AVRDEDQJSA-N 1 3 368.521 3.891 20 0 FHADHO C[C@H](c1ncc(-c2ccccc2)o1)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652349621 946890588 /nfs/dbraw/zinc/89/05/88/946890588.db2.gz VWEGSEIOUWECAQ-LULLPPNCSA-N 1 3 355.482 3.621 20 0 FHADHO CC[NH+](CC)CCCC1CCN(CC(=O)N2[C@H](C)CCC[C@@H]2C)CC1 ZINC000543875281 946976478 /nfs/dbraw/zinc/97/64/78/946976478.db2.gz RODQLPHNPKJTFD-KDURUIRLSA-N 1 3 351.579 3.610 20 0 FHADHO CCOC(=O)[C@@H]1CCCN([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168063829 947036372 /nfs/dbraw/zinc/03/63/72/947036372.db2.gz NNUWMWFMYULJDB-KOUHRCEDSA-N 1 3 358.526 3.703 20 0 FHADHO CCOC(=O)[C@@H]1CCCN([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168063829 947036383 /nfs/dbraw/zinc/03/63/83/947036383.db2.gz NNUWMWFMYULJDB-KOUHRCEDSA-N 1 3 358.526 3.703 20 0 FHADHO C[C@@H]1CN(Cc2ccc(-c3ccsc3)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000444671933 947096991 /nfs/dbraw/zinc/09/69/91/947096991.db2.gz KJNPDCISTLFVAQ-XMSQKQJNSA-N 1 3 369.578 3.873 20 0 FHADHO C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccccc1N(C)C ZINC000248458058 947288815 /nfs/dbraw/zinc/28/88/15/947288815.db2.gz UIWYNXUTNIOEGN-RXVVDRJESA-N 1 3 367.537 3.560 20 0 FHADHO C[C@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccccc1N(C)C ZINC000248458058 947288824 /nfs/dbraw/zinc/28/88/24/947288824.db2.gz UIWYNXUTNIOEGN-RXVVDRJESA-N 1 3 367.537 3.560 20 0 FHADHO C[C@@H](NCc1ccc(OCCC[NH+](C)C)cc1)c1ccc([S@](C)=O)cc1 ZINC000165186970 947703962 /nfs/dbraw/zinc/70/39/62/947703962.db2.gz GBZXMMRGZLNNCY-WGDIFIGCSA-N 1 3 374.550 3.605 20 0 FHADHO Clc1ccc(CN2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)cc1 ZINC000662327444 947759835 /nfs/dbraw/zinc/75/98/35/947759835.db2.gz JLHXPZSBDISITR-UHFFFAOYSA-N 1 3 358.917 3.910 20 0 FHADHO Clc1ccc(CN2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)cc1 ZINC000662327444 947759842 /nfs/dbraw/zinc/75/98/42/947759842.db2.gz JLHXPZSBDISITR-UHFFFAOYSA-N 1 3 358.917 3.910 20 0 FHADHO Cc1ccc(CNC[C@@H]2CCC[N@H+](CC3CC3)C2)c(-c2ccnn2C)c1 ZINC000663344104 947806613 /nfs/dbraw/zinc/80/66/13/947806613.db2.gz OGKHDRDIHQRRHQ-IBGZPJMESA-N 1 3 352.526 3.607 20 0 FHADHO Cc1ccc(CNC[C@@H]2CCC[N@@H+](CC3CC3)C2)c(-c2ccnn2C)c1 ZINC000663344104 947806623 /nfs/dbraw/zinc/80/66/23/947806623.db2.gz OGKHDRDIHQRRHQ-IBGZPJMESA-N 1 3 352.526 3.607 20 0 FHADHO CC(C)C[C@@H](CNC(=O)c1cccc2c1CNC2)[NH2+][C@H](C)c1ccccc1 ZINC000662454104 947824510 /nfs/dbraw/zinc/82/45/10/947824510.db2.gz IYISPTPLAHTPBO-XLIONFOSSA-N 1 3 365.521 3.785 20 0 FHADHO O=C1Nc2ccccc2C12CCC([NH2+]C[C@H]1CCCN(CC3CC3)C1)CC2 ZINC000663472231 948069005 /nfs/dbraw/zinc/06/90/05/948069005.db2.gz ZVUGFSKESQUFTL-MVBMGLOESA-N 1 3 367.537 3.531 20 0 FHADHO CC[C@H]([NH2+]C[C@H]1CNCCC1(F)F)c1ccc(OC(F)(F)F)cc1 ZINC000925778215 948076614 /nfs/dbraw/zinc/07/66/14/948076614.db2.gz SACAILLXKLIKKA-OCCSQVGLSA-N 1 3 352.347 3.871 20 0 FHADHO CC[NH+](CC)CCC[C@@H](C)N1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC001167827286 948141308 /nfs/dbraw/zinc/14/13/08/948141308.db2.gz VPXGFDCKJFGPAF-QGZVFWFLSA-N 1 3 355.567 3.828 20 0 FHADHO OC1CC[NH+](Cc2ccc(CNCc3ccc4occc4c3)cc2)CC1 ZINC000512005293 948166329 /nfs/dbraw/zinc/16/63/29/948166329.db2.gz CXOHGXYGXDNVCT-UHFFFAOYSA-N 1 3 350.462 3.679 20 0 FHADHO C[C@@H](N)C[NH2+][C@@H](c1ccc(Br)cc1C(F)(F)F)C1CC1 ZINC000643527393 948169857 /nfs/dbraw/zinc/16/98/57/948169857.db2.gz MCDJUABCFKLOOA-AMIZOPFISA-N 1 3 351.210 3.856 20 0 FHADHO C[C@@H](N)C[NH2+][C@H](c1ccc(Br)cc1C(F)(F)F)C1CC1 ZINC000643527395 948170721 /nfs/dbraw/zinc/17/07/21/948170721.db2.gz MCDJUABCFKLOOA-OQPBUACISA-N 1 3 351.210 3.856 20 0 FHADHO CC[NH+](CC)CCC[C@@H](C)N1CCN(c2cc(Cl)ccc2OC)CC1 ZINC001167836819 948307763 /nfs/dbraw/zinc/30/77/63/948307763.db2.gz HQBGHTDVRIRMLX-QGZVFWFLSA-N 1 3 367.965 3.981 20 0 FHADHO Cc1c([C@H](C)[NH2+]C[C@H]2CCN(C3CC3)C2)cnn1-c1cc(C)ccc1C ZINC000152375036 948438270 /nfs/dbraw/zinc/43/82/70/948438270.db2.gz YRFSCSKDHLRIMY-PKOBYXMFSA-N 1 3 352.526 3.932 20 0 FHADHO C[C@@H]1C[C@@H]([NH2+]C2CN(C(=O)OC(C)(C)C)C2)C[C@H](C)N1Cc1ccccc1 ZINC001168005035 948440207 /nfs/dbraw/zinc/44/02/07/948440207.db2.gz FAAXSVDSPIOOPJ-IZZQQSIFSA-N 1 3 373.541 3.637 20 0 FHADHO CN1CCN(Cc2ccc(C[NH2+]C/C=C\c3ccc(F)c(F)c3)cc2)CC1 ZINC000512135095 948514322 /nfs/dbraw/zinc/51/43/22/948514322.db2.gz FJKVRENFVOJTQM-IHWYPQMZSA-N 1 3 371.475 3.515 20 0 FHADHO C[C@H]([NH2+]CCC(=O)Nc1ccccc1F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000663693895 948650050 /nfs/dbraw/zinc/65/00/50/948650050.db2.gz BMFBESWEDWJTKF-PKOBYXMFSA-N 1 3 369.484 3.655 20 0 FHADHO CCc1ccccc1[C@H](N)CNC(=O)c1ccc(C[N@@H+](CC)C2CC2)cc1 ZINC000563117070 568220282 /nfs/dbraw/zinc/22/02/82/568220282.db2.gz SLOYUFKLPRZPEN-JOCHJYFZSA-N 1 3 365.521 3.663 20 0 FHADHO CCc1ccccc1[C@H](N)CNC(=O)c1ccc(C[N@H+](CC)C2CC2)cc1 ZINC000563117070 568220283 /nfs/dbraw/zinc/22/02/83/568220283.db2.gz SLOYUFKLPRZPEN-JOCHJYFZSA-N 1 3 365.521 3.663 20 0 FHADHO Cc1ccc(F)c(C[NH2+]CCCCN2CCN(c3ccccc3)CC2)c1 ZINC000604891072 568381902 /nfs/dbraw/zinc/38/19/02/568381902.db2.gz DWUSJXFSJLCFNE-UHFFFAOYSA-N 1 3 355.501 3.826 20 0 FHADHO C[C@@H](c1ccc(-c2nnn[n-]2)cc1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000736194549 599308105 /nfs/dbraw/zinc/30/81/05/599308105.db2.gz AMCUDUZYLATJPP-KRWDZBQOSA-N 1 3 368.529 3.516 20 0 FHADHO C[C@@H](c1ccc(-c2nn[n-]n2)cc1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000736194549 599308108 /nfs/dbraw/zinc/30/81/08/599308108.db2.gz AMCUDUZYLATJPP-KRWDZBQOSA-N 1 3 368.529 3.516 20 0 FHADHO C[C@H]([NH2+]CCCCCCC[NH+]1CCCC1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824584746 609333009 /nfs/dbraw/zinc/33/30/09/609333009.db2.gz GFIYQZLXRHVBRB-INIZCTEOSA-N 1 3 374.508 3.703 20 0 FHADHO C[C@H]([NH2+]CCCCCCC[NH+]1CCCC1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824584746 609333011 /nfs/dbraw/zinc/33/30/11/609333011.db2.gz GFIYQZLXRHVBRB-INIZCTEOSA-N 1 3 374.508 3.703 20 0 FHADHO C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000583005202 936365776 /nfs/dbraw/zinc/36/57/76/936365776.db2.gz ORZZVLPOKNWWMJ-RJCAOGMDSA-N 1 3 369.431 3.637 20 0 FHADHO C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000583005202 936365782 /nfs/dbraw/zinc/36/57/82/936365782.db2.gz ORZZVLPOKNWWMJ-RJCAOGMDSA-N 1 3 369.431 3.637 20 0 FHADHO CC[NH+](CC)Cc1cccc(NC(=O)CC2(N3CCOCC3)CCCC2)c1 ZINC000118768947 927170417 /nfs/dbraw/zinc/17/04/17/927170417.db2.gz HDFGCEKXTJTAEL-UHFFFAOYSA-N 1 3 373.541 3.502 20 0 FHADHO CC(C)[C@@H](CNC(=O)c1cccc(CN2CCCC2)c1)[NH+]1CCC(C)CC1 ZINC000109116929 928406729 /nfs/dbraw/zinc/40/67/29/928406729.db2.gz FHGYIZXZLWANRE-JOCHJYFZSA-N 1 3 371.569 3.769 20 0 FHADHO CC[C@@H]1c2ccccc2CN1C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000890615068 928581964 /nfs/dbraw/zinc/58/19/64/928581964.db2.gz PEOPLBVSOWYZBM-JOCHJYFZSA-N 1 3 369.553 3.676 20 0 FHADHO CCN1CCN(CCC[NH2+][C@@H](C)c2sc(-c3ccccc3)nc2C)CC1 ZINC000154303929 928711081 /nfs/dbraw/zinc/71/10/81/928711081.db2.gz JPJTUJGOUREFLJ-KRWDZBQOSA-N 1 3 372.582 3.797 20 0 FHADHO C[C@H]1C[C@@H](N(C)Cc2ccc(Br)c3cccnc23)CC[N@@H+]1C ZINC000180196398 929413356 /nfs/dbraw/zinc/41/33/56/929413356.db2.gz VQXKUHNHDTZOQQ-ZFWWWQNUSA-N 1 3 362.315 3.912 20 0 FHADHO C[C@H]1C[C@@H](N(C)Cc2ccc(Br)c3cccnc23)CC[N@H+]1C ZINC000180196398 929413361 /nfs/dbraw/zinc/41/33/61/929413361.db2.gz VQXKUHNHDTZOQQ-ZFWWWQNUSA-N 1 3 362.315 3.912 20 0 FHADHO Cc1ccccc1[C@@H](CO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000683691584 929808974 /nfs/dbraw/zinc/80/89/74/929808974.db2.gz ZMSOIZSJBMVYPS-ADYITMSISA-N 1 3 350.506 3.814 20 0 FHADHO Fc1ccc2nc(NCc3ccc(OCC[NH+]4CCCC4)cc3)[nH]c2c1 ZINC000683752042 930028257 /nfs/dbraw/zinc/02/82/57/930028257.db2.gz WAWZPAZFMPRJTO-UHFFFAOYSA-N 1 3 354.429 3.789 20 0 FHADHO CN(Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1)CC1CC[NH+](C)CC1 ZINC000580127477 930287406 /nfs/dbraw/zinc/28/74/06/930287406.db2.gz NOFGYHGQCRNYFC-UHFFFAOYSA-N 1 3 366.431 3.665 20 0 FHADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cccc3c2OC(C)(C)C3)[C@H](C)C1 ZINC000119292422 931056769 /nfs/dbraw/zinc/05/67/69/931056769.db2.gz IIZZGXVWNPNILE-YLJYHZDGSA-N 1 3 360.542 3.627 20 0 FHADHO O[C@@H](C[NH2+]C1CCN(C2CCCC2)CC1)Cc1ccc(C(F)(F)F)cc1 ZINC000564850825 931171778 /nfs/dbraw/zinc/17/17/78/931171778.db2.gz ZBJWPEYUXJKDPI-LJQANCHMSA-N 1 3 370.459 3.605 20 0 FHADHO Clc1cccc(-c2noc(CCN[C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)n2)c1 ZINC000580827828 931235248 /nfs/dbraw/zinc/23/52/48/931235248.db2.gz RNQKTBXTQLLWFL-OKZBNKHCSA-N 1 3 374.916 3.833 20 0 FHADHO CCc1ccc(NC(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)cc1C ZINC000580842681 931259210 /nfs/dbraw/zinc/25/92/10/931259210.db2.gz OGRVWAPLSUOWFE-UHFFFAOYSA-N 1 3 357.542 3.692 20 0 FHADHO CSC1(C[NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)CCC1 ZINC000580943679 931385424 /nfs/dbraw/zinc/38/54/24/931385424.db2.gz MWCZJIOLIAMTSR-FQEVSTJZSA-N 1 3 374.594 3.791 20 0 FHADHO CSC1(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)CCC1 ZINC000580943680 931385926 /nfs/dbraw/zinc/38/59/26/931385926.db2.gz MWCZJIOLIAMTSR-HXUWFJFHSA-N 1 3 374.594 3.791 20 0 FHADHO c1ccc(C[N@H+]2CC[C@H](NC[C@@H]3COc4ccccc4O3)CC23CC3)cc1 ZINC000647167192 932303247 /nfs/dbraw/zinc/30/32/47/932303247.db2.gz WHEJFVHFOLNJQN-VQTJNVASSA-N 1 3 364.489 3.613 20 0 FHADHO c1ccc(C[N@@H+]2CC[C@H](NC[C@@H]3COc4ccccc4O3)CC23CC3)cc1 ZINC000647167192 932303253 /nfs/dbraw/zinc/30/32/53/932303253.db2.gz WHEJFVHFOLNJQN-VQTJNVASSA-N 1 3 364.489 3.613 20 0 FHADHO C[N@H+](CCOc1cccc(CNCc2ccsc2)c1)C1CCOCC1 ZINC000076399915 932377018 /nfs/dbraw/zinc/37/70/18/932377018.db2.gz FJIBHQTXKXHURL-UHFFFAOYSA-N 1 3 360.523 3.528 20 0 FHADHO C[N@@H+](CCOc1cccc(CNCc2ccsc2)c1)C1CCOCC1 ZINC000076399915 932377023 /nfs/dbraw/zinc/37/70/23/932377023.db2.gz FJIBHQTXKXHURL-UHFFFAOYSA-N 1 3 360.523 3.528 20 0 FHADHO COc1cc(CN2CCC([C@H]3CCC[NH2+]C3)CC2)ccc1OC(F)F ZINC000656786580 932421408 /nfs/dbraw/zinc/42/14/08/932421408.db2.gz UUHIQPKIBZVNPY-INIZCTEOSA-N 1 3 354.441 3.508 20 0 FHADHO C[C@@H](C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)N1CCCCCC1 ZINC000510500370 933091777 /nfs/dbraw/zinc/09/17/77/933091777.db2.gz JEZMEFACBHUJID-IBGZPJMESA-N 1 3 357.542 3.918 20 0 FHADHO CC[C@H](C)N[C@H](CNC(=O)c1cccc(C[NH+]2CCCC2)c1)c1ccco1 ZINC000581963945 933125998 /nfs/dbraw/zinc/12/59/98/933125998.db2.gz SUXCAIFNPMRIHC-FXAWDEMLSA-N 1 3 369.509 3.735 20 0 FHADHO C[NH2+]CC1CCN(CC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)CC1 ZINC000430962255 933503343 /nfs/dbraw/zinc/50/33/43/933503343.db2.gz GWDRZLQWVAFTHC-NRFANRHFSA-N 1 3 371.569 3.579 20 0 FHADHO CCN1CCN([C@@H](C)C[NH2+][C@H](c2cccc(C)c2)c2cccc(F)c2)CC1 ZINC000510747793 933639509 /nfs/dbraw/zinc/63/95/09/933639509.db2.gz FRGKDZLHBNOEKX-WMZHIEFXSA-N 1 3 369.528 3.839 20 0 FHADHO COCC[N@H+](C)CCCC1CCN([C@@H](C)c2nc3ccccc3o2)CC1 ZINC000181210571 934600640 /nfs/dbraw/zinc/60/06/40/934600640.db2.gz WMUWYBUQQGLIIA-KRWDZBQOSA-N 1 3 359.514 3.959 20 0 FHADHO COCC[N@@H+](C)CCCC1CCN([C@@H](C)c2nc3ccccc3o2)CC1 ZINC000181210571 934600644 /nfs/dbraw/zinc/60/06/44/934600644.db2.gz WMUWYBUQQGLIIA-KRWDZBQOSA-N 1 3 359.514 3.959 20 0 FHADHO CCCN(C(=O)c1ccc(C[NH3+])cc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000236756327 934770582 /nfs/dbraw/zinc/77/05/82/934770582.db2.gz VQQRYMONIDTYSQ-QFIPXVFZSA-N 1 3 365.521 3.662 20 0 FHADHO c1cc(C[NH+]2CCCC2)ccc1CNCc1ccc(O[C@H]2CCOC2)cc1 ZINC000657299026 935008314 /nfs/dbraw/zinc/00/83/14/935008314.db2.gz ZDQJXPHZPPPKIP-QHCPKHFHSA-N 1 3 366.505 3.740 20 0 FHADHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1ccnn1CC1CC1 ZINC000657398784 935556127 /nfs/dbraw/zinc/55/61/27/935556127.db2.gz MSQBQDPVAVHZHS-OEWRPIJISA-N 1 3 352.526 3.539 20 0 FHADHO O[C@H]1CCC[C@@H]1N1CCC([NH2+]Cc2ccc(-c3cccs3)cc2)CC1 ZINC000657399444 935562124 /nfs/dbraw/zinc/56/21/24/935562124.db2.gz JBBFYAPMDBXRTA-PMACEKPBSA-N 1 3 356.535 3.883 20 0 FHADHO COc1ccc(Br)c(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC000582365250 935571962 /nfs/dbraw/zinc/57/19/62/935571962.db2.gz OIPUFZFPLCWDHX-OAHLLOKOSA-N 1 3 367.331 3.621 20 0 FHADHO CCCCN(CCCC)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000582428893 935689240 /nfs/dbraw/zinc/68/92/40/935689240.db2.gz CTGIHIXVPRAVFE-UHFFFAOYSA-N 1 3 351.579 3.612 20 0 FHADHO CN(CCCc1c(F)cccc1Cl)C1CC[NH+](C2CCOCC2)CC1 ZINC000375710181 935764024 /nfs/dbraw/zinc/76/40/24/935764024.db2.gz FZANBGSKLWESII-UHFFFAOYSA-N 1 3 368.924 3.987 20 0 FHADHO Cc1c(Br)cncc1C[NH2+]C[C@@H]1CN(C)C[C@H]1c1ccccc1 ZINC000657500488 935879523 /nfs/dbraw/zinc/87/95/23/935879523.db2.gz OOMYOTRCHWUEMT-MSOLQXFVSA-N 1 3 374.326 3.588 20 0 FHADHO O[C@@H](c1ccc(Cl)cc1)C1CC[NH+](CCCN2CCCCC2)CC1 ZINC000161353982 935917841 /nfs/dbraw/zinc/91/78/41/935917841.db2.gz LVTBZFPUGSHZNC-FQEVSTJZSA-N 1 3 350.934 3.961 20 0 FHADHO CCc1oc2ccccc2c1CNCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000657595307 936075093 /nfs/dbraw/zinc/07/50/93/936075093.db2.gz ONKPMEGPNWGPLQ-LJQANCHMSA-N 1 3 364.489 3.852 20 0 FHADHO CCc1oc2ccccc2c1CNCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000657595307 936075098 /nfs/dbraw/zinc/07/50/98/936075098.db2.gz ONKPMEGPNWGPLQ-LJQANCHMSA-N 1 3 364.489 3.852 20 0 FHADHO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C[C@@H](N)c3ccccc3)cc2)C1 ZINC000237478570 936076168 /nfs/dbraw/zinc/07/61/68/936076168.db2.gz XGEUHBSTGXTENT-DYESRHJHSA-N 1 3 351.494 3.947 20 0 FHADHO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C[C@@H](N)c3ccccc3)cc2)C1 ZINC000237478570 936076172 /nfs/dbraw/zinc/07/61/72/936076172.db2.gz XGEUHBSTGXTENT-DYESRHJHSA-N 1 3 351.494 3.947 20 0 FHADHO CN(c1ccccc1)c1ccc(C[NH2+]CCN2CCN(C)C(C)(C)C2)cc1 ZINC000685043981 936243015 /nfs/dbraw/zinc/24/30/15/936243015.db2.gz HKFUKMRMTOHGCN-UHFFFAOYSA-N 1 3 366.553 3.570 20 0 FHADHO CCC[NH+]1CCN(c2ccccc2CN2CC(C)(C)[C@H]2[C@H]2CCCO2)CC1 ZINC000583472444 938269296 /nfs/dbraw/zinc/26/92/96/938269296.db2.gz IRXZFFLOSQLRSE-FGZHOGPDSA-N 1 3 371.569 3.608 20 0 FHADHO CC(C)C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccncc1 ZINC000647299404 938307670 /nfs/dbraw/zinc/30/76/70/938307670.db2.gz FADWLIGYFHTYRP-FCHUYYIVSA-N 1 3 353.510 3.525 20 0 FHADHO CC(C)C[C@@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccncc1 ZINC000647299404 938307672 /nfs/dbraw/zinc/30/76/72/938307672.db2.gz FADWLIGYFHTYRP-FCHUYYIVSA-N 1 3 353.510 3.525 20 0 FHADHO OC1(C[NH2+]Cc2ccccc2C2CC2)CCN(Cc2ccccc2)CC1 ZINC000397498417 938381539 /nfs/dbraw/zinc/38/15/39/938381539.db2.gz SQYSYSVWEKFLRU-UHFFFAOYSA-N 1 3 350.506 3.681 20 0 FHADHO COc1cc([C@H](C)[NH2+]C2CCN(C[C@H]3CCOC3)CC2)ccc1SC ZINC000133060345 938557447 /nfs/dbraw/zinc/55/74/47/938557447.db2.gz XFJLUJZKCJYWMZ-JKSUJKDBSA-N 1 3 364.555 3.569 20 0 FHADHO COc1cc2ccc([C@H](C)NC[C@@H]3CC[N@@H+](C4CC4)C3)cc2cc1OC ZINC000657834008 938635510 /nfs/dbraw/zinc/63/55/10/938635510.db2.gz IDEAODIIRRYNEZ-HOTGVXAUSA-N 1 3 354.494 3.992 20 0 FHADHO COc1cc2ccc([C@H](C)NC[C@@H]3CC[N@H+](C4CC4)C3)cc2cc1OC ZINC000657834008 938635511 /nfs/dbraw/zinc/63/55/11/938635511.db2.gz IDEAODIIRRYNEZ-HOTGVXAUSA-N 1 3 354.494 3.992 20 0 FHADHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H](C)C(C)(C)C(F)F)CC1 ZINC000657839343 938690922 /nfs/dbraw/zinc/69/09/22/938690922.db2.gz SJRWYQDJGZNFIY-INIZCTEOSA-N 1 3 353.501 3.594 20 0 FHADHO CC1CCC([NH+]2CCC(N(C)C(=O)c3cccc(CN(C)C)c3)CC2)CC1 ZINC000081305892 938782492 /nfs/dbraw/zinc/78/24/92/938782492.db2.gz KIXLTIYTDNRFSC-UHFFFAOYSA-N 1 3 371.569 3.863 20 0 FHADHO CO[C@H](C[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccccc1 ZINC000584414926 938834187 /nfs/dbraw/zinc/83/41/87/938834187.db2.gz OFAQJPBFXZOXIO-XQBPLPMBSA-N 1 3 360.542 3.585 20 0 FHADHO CCn1nc(C)c(C[N@H+](CC)C[C@@H]2CCN(Cc3ccccc3)C2)c1C ZINC000093818766 938930587 /nfs/dbraw/zinc/93/05/87/938930587.db2.gz UORKKMUTUYOBNH-NRFANRHFSA-N 1 3 354.542 3.864 20 0 FHADHO CCn1nc(C)c(C[N@@H+](CC)C[C@@H]2CCN(Cc3ccccc3)C2)c1C ZINC000093818766 938930588 /nfs/dbraw/zinc/93/05/88/938930588.db2.gz UORKKMUTUYOBNH-NRFANRHFSA-N 1 3 354.542 3.864 20 0 FHADHO C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)NCCC[NH+](C)C ZINC000151945488 938992474 /nfs/dbraw/zinc/99/24/74/938992474.db2.gz KADZJCUYDPGQDT-NSHDSACASA-N 1 3 365.827 3.617 20 0 FHADHO COc1ccc([C@H](C)[NH2+]C[C@@H]2CCCN(Cc3ccccc3)C2)cc1O ZINC000685646314 939008103 /nfs/dbraw/zinc/00/81/03/939008103.db2.gz MTXCOXNCUOPFOI-HKUYNNGSSA-N 1 3 354.494 3.964 20 0 FHADHO C[C@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1nccc2ccccc21 ZINC000685653813 939009032 /nfs/dbraw/zinc/00/90/32/939009032.db2.gz XECVKWPPFOZJNP-LAUBAEHRSA-N 1 3 361.489 3.652 20 0 FHADHO C[C@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1nccc2ccccc21 ZINC000685653813 939009033 /nfs/dbraw/zinc/00/90/33/939009033.db2.gz XECVKWPPFOZJNP-LAUBAEHRSA-N 1 3 361.489 3.652 20 0 FHADHO c1ccc(CN2C[C@@H](C[NH2+][C@@H]3CCCSCC3)C3(C2)CCOCC3)cc1 ZINC000658023062 939019202 /nfs/dbraw/zinc/01/92/02/939019202.db2.gz IWVOLJKASZFJOQ-NHCUHLMSSA-N 1 3 374.594 3.791 20 0 FHADHO CO[C@@H]1CCC[C@@H]([C@@H](CO)NC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC000658116633 939024944 /nfs/dbraw/zinc/02/49/44/939024944.db2.gz WOVSAUXQRWXOLW-MISYRCLQSA-N 1 3 368.606 3.821 20 0 FHADHO O[C@H]1CC[N@H+](Cc2ccc(CN[C@@H]3CCSc4ccccc43)cc2)C1 ZINC000658142210 939036204 /nfs/dbraw/zinc/03/62/04/939036204.db2.gz DNQOUMDXGSQJNA-AZUAARDMSA-N 1 3 354.519 3.580 20 0 FHADHO O[C@H]1CC[N@@H+](Cc2ccc(CN[C@@H]3CCSc4ccccc43)cc2)C1 ZINC000658142210 939036208 /nfs/dbraw/zinc/03/62/08/939036208.db2.gz DNQOUMDXGSQJNA-AZUAARDMSA-N 1 3 354.519 3.580 20 0 FHADHO C[C@H](NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccc(Cl)s1 ZINC000658144662 939037096 /nfs/dbraw/zinc/03/70/96/939037096.db2.gz NLXMHGWIAPOTBK-BBRMVZONSA-N 1 3 350.915 3.819 20 0 FHADHO C[C@H](NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc(Cl)s1 ZINC000658144662 939037100 /nfs/dbraw/zinc/03/71/00/939037100.db2.gz NLXMHGWIAPOTBK-BBRMVZONSA-N 1 3 350.915 3.819 20 0 FHADHO COc1ccc(C)cc1[C@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658165761 939053301 /nfs/dbraw/zinc/05/33/01/939053301.db2.gz LPBPTSBKNODSRW-SFHVURJKSA-N 1 3 353.510 3.961 20 0 FHADHO C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccc2c(c1)COC2 ZINC000658165293 939053327 /nfs/dbraw/zinc/05/33/27/939053327.db2.gz IIDANGBSGGSCTP-KRWDZBQOSA-N 1 3 351.494 3.675 20 0 FHADHO Cc1nc2c(s1)[C@@H]([NH2+]CC1CCN(Cc3ccncc3)CC1)CCC2 ZINC000658167209 939055016 /nfs/dbraw/zinc/05/50/16/939055016.db2.gz QRLYFZCMNGHQHN-SFHVURJKSA-N 1 3 356.539 3.726 20 0 FHADHO CCO[C@H]1C[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C12CCCC2 ZINC000658168751 939055746 /nfs/dbraw/zinc/05/57/46/939055746.db2.gz YKARQAARNWPPQT-RTWAWAEBSA-N 1 3 357.542 3.621 20 0 FHADHO COc1ccnc(CNC2CCC([N@H+](C)Cc3ccccc3)CC2)c1F ZINC000658223181 939071950 /nfs/dbraw/zinc/07/19/50/939071950.db2.gz IXUWZCKWURNWRD-UHFFFAOYSA-N 1 3 357.473 3.762 20 0 FHADHO COc1ccnc(CNC2CCC([N@@H+](C)Cc3ccccc3)CC2)c1F ZINC000658223181 939071957 /nfs/dbraw/zinc/07/19/57/939071957.db2.gz IXUWZCKWURNWRD-UHFFFAOYSA-N 1 3 357.473 3.762 20 0 FHADHO CC(C)N1CCN(CCC[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000511828527 945225290 /nfs/dbraw/zinc/22/52/90/945225290.db2.gz YESCAEPZHVBEFG-ZLNRFVROSA-N 1 3 355.570 3.671 20 0 FHADHO CC(C)N1CCN(CCC[N@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000511828527 945225302 /nfs/dbraw/zinc/22/53/02/945225302.db2.gz YESCAEPZHVBEFG-ZLNRFVROSA-N 1 3 355.570 3.671 20 0 FHADHO Cn1cc2c(n1)CCC[C@H]2[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000658316310 939109175 /nfs/dbraw/zinc/10/91/75/939109175.db2.gz DSCFYUADYBXNKG-TZIWHRDSSA-N 1 3 364.537 3.689 20 0 FHADHO C[C@@H](NCC1(C)CC[NH+](C)CC1)c1ccccc1I ZINC000507429582 945231363 /nfs/dbraw/zinc/23/13/63/945231363.db2.gz PGGTZRYNEGRWSI-CYBMUJFWSA-N 1 3 372.294 3.674 20 0 FHADHO CCCC[N@H+](C)CC1CCN([C@@H](C)C(=O)N2CCCC[C@@H]2CC)CC1 ZINC000519225167 945231848 /nfs/dbraw/zinc/23/18/48/945231848.db2.gz WULDRDIGNRKCMV-ICSRJNTNSA-N 1 3 351.579 3.610 20 0 FHADHO CCCC[N@@H+](C)CC1CCN([C@@H](C)C(=O)N2CCCC[C@@H]2CC)CC1 ZINC000519225167 945231853 /nfs/dbraw/zinc/23/18/53/945231853.db2.gz WULDRDIGNRKCMV-ICSRJNTNSA-N 1 3 351.579 3.610 20 0 FHADHO CC(C)[C@@H](C[NH2+]C1CCN(CCC(F)(F)F)CC1)N1CCCCCC1 ZINC000507460630 945249660 /nfs/dbraw/zinc/24/96/60/945249660.db2.gz IXFAMGJIGFMIAR-GOSISDBHSA-N 1 3 363.512 3.893 20 0 FHADHO COc1cc2c(cc1CNCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)O[C@H](C)C2 ZINC000518267611 945271211 /nfs/dbraw/zinc/27/12/11/945271211.db2.gz NILCKVYUUOQGQS-KZNAEPCWSA-N 1 3 360.542 3.866 20 0 FHADHO CC[C@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)c1c(C)nn(C)c1C ZINC000507493368 945278340 /nfs/dbraw/zinc/27/83/40/945278340.db2.gz HLGJFFHKWCWSKK-YUMYIRISSA-N 1 3 366.553 3.988 20 0 FHADHO Clc1cc(C[NH2+]C2CCN(C3CCC3)CC2)cc2c1OCCCO2 ZINC000518278654 945285527 /nfs/dbraw/zinc/28/55/27/945285527.db2.gz ZLHGZROPOMIBSR-UHFFFAOYSA-N 1 3 350.890 3.608 20 0 FHADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+][C@@H]4[C@@H]5CCO[C@@H]5C45CCCC5)[C@@H]3C2)cc1 ZINC000507519944 945298781 /nfs/dbraw/zinc/29/87/81/945298781.db2.gz LQGVXYUROCZODA-KVAWTYEWSA-N 1 3 366.549 3.834 20 0 FHADHO COCCNC1CC[NH+](CC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000572607463 940255267 /nfs/dbraw/zinc/25/52/67/940255267.db2.gz ZVVREPDBTFQPLY-UHFFFAOYSA-N 1 3 374.475 3.797 20 0 FHADHO CCCN1CCN(c2ccccc2C[NH2+]CCC2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000548988717 940445590 /nfs/dbraw/zinc/44/55/90/940445590.db2.gz DBDXTEANLUJXIQ-PMACEKPBSA-N 1 3 373.585 3.902 20 0 FHADHO CCN1CCN(CCC[NH2+][C@@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000414058834 940467499 /nfs/dbraw/zinc/46/74/99/940467499.db2.gz HWXLDDURBBSGDK-TZIWHRDSSA-N 1 3 363.977 3.983 20 0 FHADHO CC[NH+](CC)CCCC1CCN(CCCn2c3ccccc3[nH]c2=O)CC1 ZINC000543872136 945323324 /nfs/dbraw/zinc/32/33/24/945323324.db2.gz MAUKQZLREFZBFP-UHFFFAOYSA-N 1 3 372.557 3.966 20 0 FHADHO COc1ccc([C@@H](C)[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)c(C)c1 ZINC000414073684 940481704 /nfs/dbraw/zinc/48/17/04/940481704.db2.gz NHTAHDDKKQWDKB-LJQANCHMSA-N 1 3 367.537 3.602 20 0 FHADHO CC[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2)[C@@H]1C[C@@H]1C ZINC000414151817 940681204 /nfs/dbraw/zinc/68/12/04/940681204.db2.gz WPQJEFKPPYKGBX-PDGJWGCVSA-N 1 3 356.554 3.939 20 0 FHADHO CC[N@H+](C)Cc1cccc(CN[C@H]2CCC(=O)Nc3ccc(F)cc32)c1 ZINC000376297014 940723511 /nfs/dbraw/zinc/72/35/11/940723511.db2.gz VUAJJFXRAIHKRW-IBGZPJMESA-N 1 3 355.457 3.841 20 0 FHADHO CC[N@@H+](C)Cc1cccc(CN[C@H]2CCC(=O)Nc3ccc(F)cc32)c1 ZINC000376297014 940723514 /nfs/dbraw/zinc/72/35/14/940723514.db2.gz VUAJJFXRAIHKRW-IBGZPJMESA-N 1 3 355.457 3.841 20 0 FHADHO Cc1cc(C)c(NC(=O)CCCN2CCC[C@@]3(CC[N@@H+](C)C3)C2)c(C)c1 ZINC000660658479 945360498 /nfs/dbraw/zinc/36/04/98/945360498.db2.gz CUXXSXBOVUCFPC-QFIPXVFZSA-N 1 3 357.542 3.748 20 0 FHADHO Cc1cc(C)c(NC(=O)CCCN2CCC[C@@]3(CC[N@H+](C)C3)C2)c(C)c1 ZINC000660658479 945360509 /nfs/dbraw/zinc/36/05/09/945360509.db2.gz CUXXSXBOVUCFPC-QFIPXVFZSA-N 1 3 357.542 3.748 20 0 FHADHO CCc1nc(C)c([C@@H](C)[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)s1 ZINC000414308485 940936691 /nfs/dbraw/zinc/93/66/91/940936691.db2.gz QKXJMRDOVIRKBW-MRXNPFEDSA-N 1 3 373.566 3.692 20 0 FHADHO OC1(C[NH2+][C@H]2CCc3ccc(Cl)cc32)CCN(Cc2ccccc2)CC1 ZINC000414312472 940949099 /nfs/dbraw/zinc/94/90/99/940949099.db2.gz WNVPDFZXYZAMOE-NRFANRHFSA-N 1 3 370.924 3.944 20 0 FHADHO OC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000414326418 940975972 /nfs/dbraw/zinc/97/59/72/940975972.db2.gz ANOFECPCAJNLSC-BMXMUORJSA-N 1 3 356.554 3.818 20 0 FHADHO CN1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(OCc3cccnc3)cc1)C2 ZINC000660660984 945366460 /nfs/dbraw/zinc/36/64/60/945366460.db2.gz YCAICQKBDVOVEV-JOCHJYFZSA-N 1 3 351.494 3.578 20 0 FHADHO CN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(OCc3cccnc3)cc1)C2 ZINC000660660984 945366471 /nfs/dbraw/zinc/36/64/71/945366471.db2.gz YCAICQKBDVOVEV-JOCHJYFZSA-N 1 3 351.494 3.578 20 0 FHADHO COc1ccc(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(Cl)c1OC ZINC000647542861 941062514 /nfs/dbraw/zinc/06/25/14/941062514.db2.gz CZTGPTCLJSUXOJ-CABCVRRESA-N 1 3 352.906 3.569 20 0 FHADHO CCOc1cccc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1OC(F)F ZINC000647543439 941065336 /nfs/dbraw/zinc/06/53/36/941065336.db2.gz NLRMNZWIWCNFCT-HZPDHXFCSA-N 1 3 368.468 3.898 20 0 FHADHO Fc1cccc(F)c1-c1n[nH]cc1CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543932 941065765 /nfs/dbraw/zinc/06/57/65/941065765.db2.gz UOOJACRIVKOPFB-LSDHHAIUSA-N 1 3 360.452 3.567 20 0 FHADHO CC1CC[NH+](CCc2cccc(NC(=O)C3(N)CC4(CCC4)C3)c2)CC1 ZINC000659317965 941161810 /nfs/dbraw/zinc/16/18/10/941161810.db2.gz WBVSQDBAAPOIEH-UHFFFAOYSA-N 1 3 355.526 3.561 20 0 FHADHO C[C@H]([NH3+])c1ccc(NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)cc1 ZINC000178248397 941211656 /nfs/dbraw/zinc/21/16/56/941211656.db2.gz AIXZABIKLWQZGK-MAUKXSAKSA-N 1 3 355.457 3.696 20 0 FHADHO C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624121020 941255354 /nfs/dbraw/zinc/25/53/54/941255354.db2.gz LTHDDHGSBGDLQD-UKRRQHHQSA-N 1 3 357.311 3.841 20 0 FHADHO O[C@@H](C[NH2+]C[C@H]1CCCN(Cc2ccccc2)C1)c1c(F)cccc1F ZINC000311498793 941314654 /nfs/dbraw/zinc/31/46/54/941314654.db2.gz LGKZMQKDUOJQHR-XLIONFOSSA-N 1 3 360.448 3.500 20 0 FHADHO C[C@H]([NH2+]C[C@H]1OCCc2ccccc21)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000311781899 941322511 /nfs/dbraw/zinc/32/25/11/941322511.db2.gz HYVGBOZNIOPYES-QTGUNEKASA-N 1 3 350.506 3.801 20 0 FHADHO C[C@H](NC[C@H]1OCCc2ccccc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311781899 941322515 /nfs/dbraw/zinc/32/25/15/941322515.db2.gz HYVGBOZNIOPYES-QTGUNEKASA-N 1 3 350.506 3.801 20 0 FHADHO C[C@H](NC[C@H]1OCCc2ccccc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311781899 941322518 /nfs/dbraw/zinc/32/25/18/941322518.db2.gz HYVGBOZNIOPYES-QTGUNEKASA-N 1 3 350.506 3.801 20 0 FHADHO C[C@H]([NH2+]C[C@@H]1OCCc2ccccc21)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000311781906 941326142 /nfs/dbraw/zinc/32/61/42/941326142.db2.gz HYVGBOZNIOPYES-ZEYPLWLESA-N 1 3 350.506 3.801 20 0 FHADHO C[C@H](NC[C@@H]1OCCc2ccccc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311781906 941326145 /nfs/dbraw/zinc/32/61/45/941326145.db2.gz HYVGBOZNIOPYES-ZEYPLWLESA-N 1 3 350.506 3.801 20 0 FHADHO C[C@H](NC[C@@H]1OCCc2ccccc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311781906 941326147 /nfs/dbraw/zinc/32/61/47/941326147.db2.gz HYVGBOZNIOPYES-ZEYPLWLESA-N 1 3 350.506 3.801 20 0 FHADHO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCCN2CCC(C)CC2)c2ccccc21 ZINC000549142707 941522276 /nfs/dbraw/zinc/52/22/76/941522276.db2.gz XOLCAYVUANCKCH-NHCUHLMSSA-N 1 3 358.526 3.880 20 0 FHADHO [NH3+][C@@H]1CCC[C@@H](CNCc2csc(COc3ccc(Cl)cc3)n2)C1 ZINC000415013613 941547056 /nfs/dbraw/zinc/54/70/56/941547056.db2.gz YOEKOVRYASSXRE-UKRRQHHQSA-N 1 3 365.930 3.983 20 0 FHADHO [NH3+]C[C@@H]1CC[C@@H](NCc2csc(-c3cccc(Br)c3)n2)C1 ZINC000415035063 941558591 /nfs/dbraw/zinc/55/85/91/941558591.db2.gz KKYWSPINNXHCGP-BXUZGUMPSA-N 1 3 366.328 3.790 20 0 FHADHO CSc1cc2c(cc1CN[C@@H](CCC[NH3+])c1ccccc1)OCCO2 ZINC000415052810 941571843 /nfs/dbraw/zinc/57/18/43/941571843.db2.gz LKZHCOJJYKJRNH-KRWDZBQOSA-N 1 3 358.507 3.750 20 0 FHADHO Fc1cc(CN[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)ccc1-n1ccnc1 ZINC000415075456 941586949 /nfs/dbraw/zinc/58/69/49/941586949.db2.gz BLBVXKMPVMGJQH-AZUAARDMSA-N 1 3 350.441 3.594 20 0 FHADHO COc1ccc([C@H](CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)N2CCCCC2)cc1 ZINC000415077985 941587936 /nfs/dbraw/zinc/58/79/36/941587936.db2.gz GASSIEXSQAVXSD-GPJHCHHRSA-N 1 3 371.569 3.733 20 0 FHADHO COc1cccc([C@H](NC[C@H]2CC[NH2+][C@H](C)C2)c2cc(F)ccc2OC)c1 ZINC000415086385 941595478 /nfs/dbraw/zinc/59/54/78/941595478.db2.gz RNXITXQPZCRKML-VVBPWWLESA-N 1 3 372.484 3.910 20 0 FHADHO COc1cccc([C@H](NC[C@@H]2CC[NH2+][C@@H](C)C2)c2cc(F)ccc2OC)c1 ZINC000415086375 941595518 /nfs/dbraw/zinc/59/55/18/941595518.db2.gz RNXITXQPZCRKML-DMPWYTOCSA-N 1 3 372.484 3.910 20 0 FHADHO CC(C)(C)NCC[NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000415120256 941616466 /nfs/dbraw/zinc/61/64/66/941616466.db2.gz LGGLCWAHNDMWQK-UHFFFAOYSA-N 1 3 358.357 3.936 20 0 FHADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(Cc2ccccc2OC2CCCC2)CC1 ZINC000415122375 941617676 /nfs/dbraw/zinc/61/76/76/941617676.db2.gz IFIFRKOHKXTEAF-UNMCSNQZSA-N 1 3 358.526 3.726 20 0 FHADHO Cc1cc2oc(=O)cc(CN3CCC(C[NH+](C)C)CC3)c2cc1C(C)C ZINC000729266272 941705253 /nfs/dbraw/zinc/70/52/53/941705253.db2.gz UMMBHADEYSGMRH-UHFFFAOYSA-N 1 3 356.510 3.998 20 0 FHADHO CCOc1cccc(CNCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)n1 ZINC000513510282 941971753 /nfs/dbraw/zinc/97/17/53/941971753.db2.gz AWVLQYFUFFCFAP-ICSRJNTNSA-N 1 3 353.510 3.871 20 0 FHADHO CCOc1cccc(CNCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000513510282 941971759 /nfs/dbraw/zinc/97/17/59/941971759.db2.gz AWVLQYFUFFCFAP-ICSRJNTNSA-N 1 3 353.510 3.871 20 0 FHADHO CC[NH+](CC)Cc1ccc(C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)cc1 ZINC000513499371 941972565 /nfs/dbraw/zinc/97/25/65/941972565.db2.gz GBKNASJAJAEKCC-JOCHJYFZSA-N 1 3 367.537 3.870 20 0 FHADHO C[NH2+]Cc1ccccc1NC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000415914086 942136983 /nfs/dbraw/zinc/13/69/83/942136983.db2.gz UMEWZKFYAROXPG-HXUWFJFHSA-N 1 3 366.509 3.534 20 0 FHADHO C[NH2+]Cc1cccc(NC(=O)NC[C@H](c2ccc(SC)cc2)N(C)C)c1 ZINC000415931001 942156906 /nfs/dbraw/zinc/15/69/06/942156906.db2.gz KZMPXDPGZRIART-LJQANCHMSA-N 1 3 372.538 3.552 20 0 FHADHO CC[NH2+]Cc1ccccc1NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000415927680 942163878 /nfs/dbraw/zinc/16/38/78/942163878.db2.gz DMMPQGUOPJNWSR-XLIONFOSSA-N 1 3 366.509 3.581 20 0 FHADHO CC[NH2+]Cc1cccc(NC(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)c1 ZINC000415931340 942166621 /nfs/dbraw/zinc/16/66/21/942166621.db2.gz KTGYNOMTTQRZQE-UWJYYQICSA-N 1 3 366.509 3.581 20 0 FHADHO CC[NH2+]Cc1ccccc1NC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000415945953 942178838 /nfs/dbraw/zinc/17/88/38/942178838.db2.gz SGDNNDVQFAWGQU-XLIONFOSSA-N 1 3 366.509 3.753 20 0 FHADHO CC[NH2+]Cc1ccccc1NC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000415954039 942195201 /nfs/dbraw/zinc/19/52/01/942195201.db2.gz LVTBRJPUKJQTNX-XLIONFOSSA-N 1 3 366.509 3.581 20 0 FHADHO CC1CCN([C@H](CNC(=O)Nc2ccc(C[NH3+])cc2)c2cccs2)CC1 ZINC000415953460 942195372 /nfs/dbraw/zinc/19/53/72/942195372.db2.gz GZIZVDXDMIIMGS-GOSISDBHSA-N 1 3 372.538 3.802 20 0 FHADHO C[C@H]1C[N@H+](Cc2ccc(Cl)c3ccccc23)CC[C@H]1N1CCN(C)CC1 ZINC000420931711 942260942 /nfs/dbraw/zinc/26/09/42/942260942.db2.gz GVLJAHINBJLQEM-HTAPYJJXSA-N 1 3 371.956 3.951 20 0 FHADHO C[C@H]1C[N@@H+](Cc2ccc(Cl)c3ccccc23)CC[C@H]1N1CCN(C)CC1 ZINC000420931711 942260944 /nfs/dbraw/zinc/26/09/44/942260944.db2.gz GVLJAHINBJLQEM-HTAPYJJXSA-N 1 3 371.956 3.951 20 0 FHADHO COc1ccc2cc(C[N@H+](C)CCCN3CCN(C(C)C)CC3)ccc2c1 ZINC000501113580 942315892 /nfs/dbraw/zinc/31/58/92/942315892.db2.gz AVYPKCXPDLTERW-UHFFFAOYSA-N 1 3 369.553 3.696 20 0 FHADHO COc1ccc2cc(C[N@@H+](C)CCCN3CCN(C(C)C)CC3)ccc2c1 ZINC000501113580 942315898 /nfs/dbraw/zinc/31/58/98/942315898.db2.gz AVYPKCXPDLTERW-UHFFFAOYSA-N 1 3 369.553 3.696 20 0 FHADHO COc1cc(C)c(C[C@@H](C)N[C@@H]2CC[N@H+](CC3CCCC3)C2)cc1OC ZINC000502292509 942337149 /nfs/dbraw/zinc/33/71/49/942337149.db2.gz XEMFHKGMQBKXNO-YLJYHZDGSA-N 1 3 360.542 3.797 20 0 FHADHO COc1cc(C)c(C[C@@H](C)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)cc1OC ZINC000502292509 942337153 /nfs/dbraw/zinc/33/71/53/942337153.db2.gz XEMFHKGMQBKXNO-YLJYHZDGSA-N 1 3 360.542 3.797 20 0 FHADHO O[C@H](C[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1)c1ccccc1F ZINC000312075701 942415705 /nfs/dbraw/zinc/41/57/05/942415705.db2.gz QARBVUCKQUKLPQ-SIKLNZKXSA-N 1 3 356.485 3.751 20 0 FHADHO O[C@@H](C[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1)c1ccccc1F ZINC000312075700 942416045 /nfs/dbraw/zinc/41/60/45/942416045.db2.gz QARBVUCKQUKLPQ-KNQAVFIVSA-N 1 3 356.485 3.751 20 0 FHADHO C[NH2+]C[C@H](C)CN[C@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414829970 942480208 /nfs/dbraw/zinc/48/02/08/942480208.db2.gz BSCXFFRAUKXJEU-WDEREUQCSA-N 1 3 365.827 3.521 20 0 FHADHO COc1ccc(OC)c(C[N@H+]2C[C@H]3CN(Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000395804032 942536531 /nfs/dbraw/zinc/53/65/31/942536531.db2.gz CDYSBMJLDIIWJH-TZIWHRDSSA-N 1 3 366.505 3.658 20 0 FHADHO COc1ccc(OC)c(C[N@@H+]2C[C@H]3CN(Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000395804032 942536537 /nfs/dbraw/zinc/53/65/37/942536537.db2.gz CDYSBMJLDIIWJH-TZIWHRDSSA-N 1 3 366.505 3.658 20 0 FHADHO COc1ccc2ccccc2c1-c1cc(CN2CCC(C[NH3+])CC2)on1 ZINC000420270877 942593645 /nfs/dbraw/zinc/59/36/45/942593645.db2.gz JWTFWASDMQUOAV-UHFFFAOYSA-N 1 3 351.450 3.674 20 0 FHADHO COc1ccc([C@@H](C[NH3+])CN2CCC[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000420302351 942611363 /nfs/dbraw/zinc/61/13/63/942611363.db2.gz JSNZCQMQGUPUPP-AZUAARDMSA-N 1 3 370.493 3.592 20 0 FHADHO CCCN(CC[C@H]1CC[NH2+]C1)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000420316660 942618352 /nfs/dbraw/zinc/61/83/52/942618352.db2.gz MXMGREFPKLYEDO-CYBMUJFWSA-N 1 3 358.313 3.644 20 0 FHADHO CCC[NH+](CCC)CCCC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000502673498 942634026 /nfs/dbraw/zinc/63/40/26/942634026.db2.gz YOELDSURESEEBB-UHFFFAOYSA-N 1 3 359.558 3.623 20 0 FHADHO [NH3+]C[C@H](NCCC(=O)Nc1cccc(C(F)(F)F)c1)C1CCCCC1 ZINC000420381747 942647457 /nfs/dbraw/zinc/64/74/57/942647457.db2.gz ZJJRUBXTWAMIDC-INIZCTEOSA-N 1 3 357.420 3.531 20 0 FHADHO C[C@H](c1ccccc1Br)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000420388528 942650281 /nfs/dbraw/zinc/65/02/81/942650281.db2.gz LDGAXBHEJGZLRH-QIIPPGSGSA-N 1 3 367.331 3.728 20 0 FHADHO COc1ccc([C@H](C[NH3+])CN[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)cc1 ZINC000420395482 942653847 /nfs/dbraw/zinc/65/38/47/942653847.db2.gz DLJGKQZBUMPMTR-AHRSYUTCSA-N 1 3 360.885 3.511 20 0 FHADHO CC[C@H](C(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)[NH+](CC)CC)N(C)C ZINC000514077196 942729596 /nfs/dbraw/zinc/72/95/96/942729596.db2.gz MZDNSWAQRGJOGJ-SJORKVTESA-N 1 3 373.463 3.545 20 0 FHADHO Cc1[nH]nc2ncc(CN3CCC(C[N@@H+](C)Cc4ccccc4)CC3)cc12 ZINC000513754171 942736035 /nfs/dbraw/zinc/73/60/35/942736035.db2.gz IPWGBLSSHKQHFD-UHFFFAOYSA-N 1 3 363.509 3.610 20 0 FHADHO Cc1[nH]nc2ncc(CN3CCC(C[N@H+](C)Cc4ccccc4)CC3)cc12 ZINC000513754171 942736038 /nfs/dbraw/zinc/73/60/38/942736038.db2.gz IPWGBLSSHKQHFD-UHFFFAOYSA-N 1 3 363.509 3.610 20 0 FHADHO Cc1cccc(N2CCN(CCCC[NH2+][C@H](C)c3cc(C)ccn3)CC2)c1 ZINC000514087377 942738943 /nfs/dbraw/zinc/73/89/43/942738943.db2.gz GYMGICDMCAAIOJ-OAQYLSRUSA-N 1 3 366.553 3.951 20 0 FHADHO C[NH+]1CCC(O)(CNCc2ccc(-c3cccc(C(F)(F)F)c3)o2)CC1 ZINC000514237480 942852082 /nfs/dbraw/zinc/85/20/82/942852082.db2.gz JBKWEGNLBWLLHW-UHFFFAOYSA-N 1 3 368.399 3.512 20 0 FHADHO C[C@@]1(C[NH2+]Cc2cncc(Br)c2)CCN(Cc2ccccc2)C1 ZINC000309735973 942974582 /nfs/dbraw/zinc/97/45/82/942974582.db2.gz QNTDRDJVSYBZSA-IBGZPJMESA-N 1 3 374.326 3.846 20 0 FHADHO CCN(CC)[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(C(F)(F)F)cc1 ZINC000422711380 943243894 /nfs/dbraw/zinc/24/38/94/943243894.db2.gz FWENVBZOQMECTF-ZZJWQFMZSA-N 1 3 369.475 3.961 20 0 FHADHO COc1cccc(N2CCC[C@H](N[C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)C2)c1 ZINC000422768903 943275695 /nfs/dbraw/zinc/27/56/95/943275695.db2.gz VCCQKZCCQHVSQM-KVJIRVJXSA-N 1 3 357.542 3.564 20 0 FHADHO CCN(CC)[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1cccc(OC)c1 ZINC000422797027 943287199 /nfs/dbraw/zinc/28/71/99/943287199.db2.gz KXXUDGAWKWCASB-DXBBTUNJSA-N 1 3 359.558 3.588 20 0 FHADHO C[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)Oc1cccc(Br)c1 ZINC000422799553 943288040 /nfs/dbraw/zinc/28/80/40/943288040.db2.gz XFVMQOXONMSJFK-BNEJOLLZSA-N 1 3 367.331 3.727 20 0 FHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC1(c2ccccc2Br)CC1 ZINC000422790594 943293894 /nfs/dbraw/zinc/29/38/94/943293894.db2.gz VCIHNBVKQPKWHD-ZDUSSCGKSA-N 1 3 374.326 3.994 20 0 FHADHO CCCCOc1ccc(CN[C@H](C)c2ccc(C[NH3+])nc2C)cc1OC ZINC000422868283 943310833 /nfs/dbraw/zinc/31/08/33/943310833.db2.gz UUDVPUNREYKXIS-OAHLLOKOSA-N 1 3 357.498 3.887 20 0 FHADHO FC(F)n1c(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)nc2ccccc21 ZINC000422915415 943329455 /nfs/dbraw/zinc/32/94/55/943329455.db2.gz YCPDWDQIYGWDLV-OWCLPIDISA-N 1 3 362.468 3.874 20 0 FHADHO FC(F)n1c(CCN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)nc2ccccc21 ZINC000422915414 943329663 /nfs/dbraw/zinc/32/96/63/943329663.db2.gz YCPDWDQIYGWDLV-HRCADAONSA-N 1 3 362.468 3.874 20 0 FHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCOc1ccc(C(F)(F)F)cc1 ZINC000422940105 943339207 /nfs/dbraw/zinc/33/92/07/943339207.db2.gz IQUJYENRYXONCA-GFCCVEGCSA-N 1 3 353.388 3.597 20 0 FHADHO COc1ccccc1SC[C@@H](C)C[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000422942173 943339532 /nfs/dbraw/zinc/33/95/32/943339532.db2.gz IWVXKIGLYTZFMW-GJZGRUSLSA-N 1 3 359.539 3.936 20 0 FHADHO CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)N)c1 ZINC000422942464 943340280 /nfs/dbraw/zinc/34/02/80/943340280.db2.gz KIOGJQHUCWVBSN-FVJLSDCUSA-N 1 3 353.510 3.719 20 0 FHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC1(c2ccc(Cl)cc2)CCOCC1 ZINC000422944019 943341238 /nfs/dbraw/zinc/34/12/38/943341238.db2.gz LYSJCYRQOBNYAB-HNNXBMFYSA-N 1 3 373.928 3.901 20 0 FHADHO CCN(CC)[C@@H](CNC(=O)CC[C@@H]1CCCC[N@@H+]1C)c1ccsc1 ZINC000431922378 943347008 /nfs/dbraw/zinc/34/70/08/943347008.db2.gz KSNFJGYSYPVYET-ROUUACIJSA-N 1 3 351.560 3.512 20 0 FHADHO CCN(CC)[C@@H](CNC(=O)CC[C@@H]1CCCC[N@H+]1C)c1ccsc1 ZINC000431922378 943347011 /nfs/dbraw/zinc/34/70/11/943347011.db2.gz KSNFJGYSYPVYET-ROUUACIJSA-N 1 3 351.560 3.512 20 0 FHADHO COc1ccc([C@H]2CCCN2Cc2ccc3c(c2)C[NH2+]CC3)cc1OC ZINC000514867079 943348943 /nfs/dbraw/zinc/34/89/43/943348943.db2.gz IOFMGDCJPMGBKP-HXUWFJFHSA-N 1 3 352.478 3.687 20 0 FHADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)Nc1cccc(CN2CCSCC2)c1 ZINC000422955764 943349419 /nfs/dbraw/zinc/34/94/19/943349419.db2.gz NKEKSRQAZMECQV-DYESRHJHSA-N 1 3 355.551 3.606 20 0 FHADHO CCOc1cc(CN2CCC(CC[NH2+]C)CC2)ccc1OCC(F)(F)F ZINC000435375976 943357282 /nfs/dbraw/zinc/35/72/82/943357282.db2.gz XKVGNJOFCRXLAO-UHFFFAOYSA-N 1 3 374.447 3.848 20 0 FHADHO Cc1cc(C[C@@H](C)[NH2+][C@H](C)c2ccc(CN)nc2C)n(-c2ccccc2)n1 ZINC000423002020 943361759 /nfs/dbraw/zinc/36/17/59/943361759.db2.gz YCYQJGZDSNSAST-NVXWUHKLSA-N 1 3 363.509 3.625 20 0 FHADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000423014462 943364850 /nfs/dbraw/zinc/36/48/50/943364850.db2.gz PDNZXZMEYKCDLS-SMDDNHRTSA-N 1 3 365.827 3.630 20 0 FHADHO C[C@H](NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1)[C@@H]1CCCC[NH2+]1 ZINC000423022894 943369178 /nfs/dbraw/zinc/36/91/78/943369178.db2.gz IMYLTRKAPRGFRW-ARKSPBFVSA-N 1 3 353.913 3.592 20 0 FHADHO C[C@H]([NH2+]C[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1)[C@@H]1CCCCN1 ZINC000423022894 943369186 /nfs/dbraw/zinc/36/91/86/943369186.db2.gz IMYLTRKAPRGFRW-ARKSPBFVSA-N 1 3 353.913 3.592 20 0 FHADHO C[C@H](NC[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1)[C@@H]1CCCC[NH2+]1 ZINC000423022901 943369755 /nfs/dbraw/zinc/36/97/55/943369755.db2.gz IMYLTRKAPRGFRW-UAFONNFLSA-N 1 3 353.913 3.592 20 0 FHADHO C[C@H]([NH2+]C[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1)[C@@H]1CCCCN1 ZINC000423022901 943369761 /nfs/dbraw/zinc/36/97/61/943369761.db2.gz IMYLTRKAPRGFRW-UAFONNFLSA-N 1 3 353.913 3.592 20 0 FHADHO COc1cccc(CN(C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)c1 ZINC000505682588 943369865 /nfs/dbraw/zinc/36/98/65/943369865.db2.gz FWYZCWMJEPFWNR-UHFFFAOYSA-N 1 3 367.537 3.858 20 0 FHADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCCc1nc(-c2ccc(F)cc2)no1 ZINC000423026659 943370694 /nfs/dbraw/zinc/37/06/94/943370694.db2.gz BUBCDJATCLZCGR-YJBOKZPZSA-N 1 3 360.477 3.709 20 0 FHADHO CSCc1cccc(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000423060649 943378345 /nfs/dbraw/zinc/37/83/45/943378345.db2.gz OUUDENHBUPMXFG-PZJWPPBQSA-N 1 3 354.519 3.895 20 0 FHADHO COc1ccc([C@H](C)CN(Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435394157 943380533 /nfs/dbraw/zinc/38/05/33/943380533.db2.gz MOCKYLLLRYTNKV-NQIIRXRSSA-N 1 3 353.510 3.838 20 0 FHADHO CCCNc1ccc(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000423078669 943386533 /nfs/dbraw/zinc/38/65/33/943386533.db2.gz WLPOTIWGZFAIEI-UNMCSNQZSA-N 1 3 351.494 3.854 20 0 FHADHO N[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3cccc(Br)c3)C2)c2ccccc21 ZINC000423088924 943390872 /nfs/dbraw/zinc/39/08/72/943390872.db2.gz RHKJVMHKHHAANZ-KYNGSXCRSA-N 1 3 372.310 3.762 20 0 FHADHO CSCc1ccc(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000423100464 943394073 /nfs/dbraw/zinc/39/40/73/943394073.db2.gz BTWXHLLROSYVMU-CTNGQTDRSA-N 1 3 354.519 3.895 20 0 FHADHO CSc1ccc([C@@H](C[NH2+][C@@H](C)c2ccc(CN)nc2C)N(C)C)cc1 ZINC000423144752 943406655 /nfs/dbraw/zinc/40/66/55/943406655.db2.gz HVJXEPYSEOMDBB-VBKZILBWSA-N 1 3 358.555 3.524 20 0 FHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC1(N(C)Cc2ccccc2)CCC1 ZINC000423152798 943410877 /nfs/dbraw/zinc/41/08/77/943410877.db2.gz MLEHWZWMANDKCW-QGZVFWFLSA-N 1 3 352.526 3.554 20 0 FHADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCc1cnc(SC2CCCC2)nc1 ZINC000423138520 943415904 /nfs/dbraw/zinc/41/59/04/943415904.db2.gz TVLRKXDNCZWZKK-OXQOHEQNSA-N 1 3 370.566 3.602 20 0 FHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCc1cnc(SC2CCCC2)nc1 ZINC000423139572 943416373 /nfs/dbraw/zinc/41/63/73/943416373.db2.gz VNDMNZGGYJVYIM-CQSZACIVSA-N 1 3 371.554 3.567 20 0 FHADHO Brc1cccc([C@@H](NC[C@H]2CCC[NH2+]C2)C2CCOCC2)c1 ZINC000423206078 943431032 /nfs/dbraw/zinc/43/10/32/943431032.db2.gz FSPTVABHYKBLJU-KSSFIOAISA-N 1 3 367.331 3.506 20 0 FHADHO CC(C)[NH+](CCN(C)C(=O)N[C@H](CN1CCCC1)c1ccccc1)C(C)C ZINC000504008317 943455656 /nfs/dbraw/zinc/45/56/56/943455656.db2.gz QCLPPEQTWMQFNK-OAQYLSRUSA-N 1 3 374.573 3.584 20 0 FHADHO Clc1ccccc1[C@H](NCC[C@H]1CC[NH2+]C1)c1ccc2c(c1)OCCO2 ZINC000423243063 943456853 /nfs/dbraw/zinc/45/68/53/943456853.db2.gz GDHVOBNKJUVIGP-QVKFZJNVSA-N 1 3 372.896 3.790 20 0 FHADHO C[C@@H](NCc1ccc([C@H](C)[NH3+])cc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423293468 943466061 /nfs/dbraw/zinc/46/60/61/943466061.db2.gz RKKLDXSSFKFLDK-LSDHHAIUSA-N 1 3 352.482 3.841 20 0 FHADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H](N)CC2CCCCC2)CC1 ZINC000423368635 943493026 /nfs/dbraw/zinc/49/30/26/943493026.db2.gz BGCOUPMJYHCLMN-LAUBAEHRSA-N 1 3 357.542 3.626 20 0 FHADHO Brc1cccc([C@H](NCC[C@H]2CCC[NH2+]2)C2CCOCC2)c1 ZINC000423368557 943493746 /nfs/dbraw/zinc/49/37/46/943493746.db2.gz RZKQHTLGQYPHFX-QZTJIDSGSA-N 1 3 367.331 3.649 20 0 FHADHO CN(CCC(=O)Nc1ccccc1Oc1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000435626281 943527104 /nfs/dbraw/zinc/52/71/04/943527104.db2.gz ODHYPXPGVUYQKC-GOSISDBHSA-N 1 3 367.493 3.881 20 0 FHADHO O=C(Nc1ccc2c(c1)CNC2)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000423702851 943595594 /nfs/dbraw/zinc/59/55/94/943595594.db2.gz ZAUUFVHXAWLHRL-NFBKMPQASA-N 1 3 361.489 3.531 20 0 FHADHO O=C(Nc1ccc2c(c1)CNC2)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000423702851 943595601 /nfs/dbraw/zinc/59/56/01/943595601.db2.gz ZAUUFVHXAWLHRL-NFBKMPQASA-N 1 3 361.489 3.531 20 0 FHADHO C[C@@H]([NH3+])c1ccc(C(=O)N(CCN(C)C)Cc2cccc(Cl)c2)cc1 ZINC000423752836 943608894 /nfs/dbraw/zinc/60/88/94/943608894.db2.gz WSVCKSKYIRLOPE-OAHLLOKOSA-N 1 3 359.901 3.564 20 0 FHADHO C[C@H]([NH2+]C[C@H]1CCCN(C(=O)C(C)(C)C)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000660256702 943804573 /nfs/dbraw/zinc/80/45/73/943804573.db2.gz NRSYLGNXAWIHGL-IPMKNSEASA-N 1 3 363.590 3.514 20 0 FHADHO CSc1ccc([C@H](CNC(=O)Nc2cc(C)cc(C[NH3+])c2)N(C)C)cc1 ZINC000424425967 943922416 /nfs/dbraw/zinc/92/24/16/943922416.db2.gz KZWXTTJOKBBYRW-IBGZPJMESA-N 1 3 372.538 3.600 20 0 FHADHO Cc1cc(C[NH3+])cc(NC(=O)N(Cc2ccccc2)C2CCN(C)CC2)c1 ZINC000424435594 943928181 /nfs/dbraw/zinc/92/81/81/943928181.db2.gz LBPLPTRUKBJJNP-UHFFFAOYSA-N 1 3 366.509 3.582 20 0 FHADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1ccc(OC(F)F)c(Br)c1 ZINC000414792440 943946676 /nfs/dbraw/zinc/94/66/76/943946676.db2.gz CIEOKAPFJUAZCT-WCQYABFASA-N 1 3 363.246 3.658 20 0 FHADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1ccc(OC(F)F)c(Br)c1 ZINC000414792442 943947158 /nfs/dbraw/zinc/94/71/58/943947158.db2.gz CIEOKAPFJUAZCT-YPMHNXCESA-N 1 3 363.246 3.658 20 0 FHADHO COc1cccc([C@@H](CNC2CC[NH+](Cc3ccccc3)CC2)N(C)C)c1 ZINC000072726741 943985908 /nfs/dbraw/zinc/98/59/08/943985908.db2.gz DQDMTVYOKMRDMV-HSZRJFAPSA-N 1 3 367.537 3.552 20 0 FHADHO COc1ccc(C(=O)Nc2cccc(CN[C@H]3CCCC[C@@H]3C[NH3+])c2)cc1 ZINC000414809083 944077721 /nfs/dbraw/zinc/07/77/21/944077721.db2.gz TXQJSRUPXFDJJX-NQIIRXRSSA-N 1 3 367.493 3.555 20 0 FHADHO CCC[C@H](C)[C@H]1CCCN1C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000517245430 944138865 /nfs/dbraw/zinc/13/88/65/944138865.db2.gz UHMWNSQAPVONJP-GHTZIAJQSA-N 1 3 363.590 3.610 20 0 FHADHO C[C@H]1SCCN(Cc2cncc(C[N@@H+]3CCS[C@@H](C)[C@H]3C)c2)[C@H]1C ZINC000515772311 944195977 /nfs/dbraw/zinc/19/59/77/944195977.db2.gz WOUXMKZVNCETEW-ZYGGUILKSA-N 1 3 365.612 3.733 20 0 FHADHO C[C@H]1SCCN(Cc2cncc(C[N@H+]3CCS[C@@H](C)[C@H]3C)c2)[C@H]1C ZINC000515772311 944195983 /nfs/dbraw/zinc/19/59/83/944195983.db2.gz WOUXMKZVNCETEW-ZYGGUILKSA-N 1 3 365.612 3.733 20 0 FHADHO C[C@H]1SCC[N@@H+](Cc2cncc(CN3CCS[C@@H](C)[C@H]3C)c2)[C@H]1C ZINC000515772311 944195984 /nfs/dbraw/zinc/19/59/84/944195984.db2.gz WOUXMKZVNCETEW-ZYGGUILKSA-N 1 3 365.612 3.733 20 0 FHADHO C[C@H]1SCC[N@H+](Cc2cncc(CN3CCS[C@@H](C)[C@H]3C)c2)[C@H]1C ZINC000515772311 944195991 /nfs/dbraw/zinc/19/59/91/944195991.db2.gz WOUXMKZVNCETEW-ZYGGUILKSA-N 1 3 365.612 3.733 20 0 FHADHO CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CCN(C)CC[C@H]2C)c1 ZINC000473731185 944318062 /nfs/dbraw/zinc/31/80/62/944318062.db2.gz DRUZWDCYZCKYMZ-LJQANCHMSA-N 1 3 374.573 3.544 20 0 FHADHO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CCN(C)CC[C@H]2C)c1 ZINC000473731185 944318066 /nfs/dbraw/zinc/31/80/66/944318066.db2.gz DRUZWDCYZCKYMZ-LJQANCHMSA-N 1 3 374.573 3.544 20 0 FHADHO C[C@@H](C[NH2+][C@@H](C)c1cccc(OCc2cn3ccccc3n2)c1)CN(C)C ZINC000425951330 944362644 /nfs/dbraw/zinc/36/26/44/944362644.db2.gz MMFVNYMAGLXDJZ-ROUUACIJSA-N 1 3 366.509 3.762 20 0 FHADHO CCOCCC[N@@H+]1CC[C@H](NC[C@]2(CC)OCCc3ccccc32)[C@@H](C)C1 ZINC000516219329 944582362 /nfs/dbraw/zinc/58/23/62/944582362.db2.gz ZZQGZPNPUOSFCE-VJBMBRPKSA-N 1 3 374.569 3.591 20 0 FHADHO CCOCCC[N@H+]1CC[C@H](NC[C@]2(CC)OCCc3ccccc32)[C@@H](C)C1 ZINC000516219329 944582364 /nfs/dbraw/zinc/58/23/64/944582364.db2.gz ZZQGZPNPUOSFCE-VJBMBRPKSA-N 1 3 374.569 3.591 20 0 FHADHO CC[N@@H+]1CCC[C@@H](CN(C)c2ccnc3ccccc32)[C@@H]1c1cnn(C)c1 ZINC000509610277 944756847 /nfs/dbraw/zinc/75/68/47/944756847.db2.gz VBIZIWQRBIIPDU-HTAPYJJXSA-N 1 3 363.509 3.878 20 0 FHADHO CC[N@H+]1CCC[C@@H](CN(C)c2ccnc3ccccc32)[C@@H]1c1cnn(C)c1 ZINC000509610277 944756851 /nfs/dbraw/zinc/75/68/51/944756851.db2.gz VBIZIWQRBIIPDU-HTAPYJJXSA-N 1 3 363.509 3.878 20 0 FHADHO CCOc1cc(CN2CCC(C[NH+](C)C)CC2)ccc1OCC(F)(F)F ZINC000506930492 944769126 /nfs/dbraw/zinc/76/91/26/944769126.db2.gz OUPMHKNTIRWPNE-UHFFFAOYSA-N 1 3 374.447 3.800 20 0 FHADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000518055836 944975986 /nfs/dbraw/zinc/97/59/86/944975986.db2.gz SBYWWGIPTYWYIR-WOJBJXKFSA-N 1 3 371.569 3.770 20 0 FHADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccccc2N(C)C(C)C)[C@H](C)C1 ZINC000437089047 945007927 /nfs/dbraw/zinc/00/79/27/945007927.db2.gz ABJAAKYNYWBMKT-TZIWHRDSSA-N 1 3 361.574 3.758 20 0 FHADHO CCCCN1CCC([NH2+]CCC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000519639100 945611931 /nfs/dbraw/zinc/61/19/31/945611931.db2.gz LNONCROYEABTTD-UHFFFAOYSA-N 1 3 371.447 3.888 20 0 FHADHO CCCC[NH+]1CCC(NCCC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000519639100 945611940 /nfs/dbraw/zinc/61/19/40/945611940.db2.gz LNONCROYEABTTD-UHFFFAOYSA-N 1 3 371.447 3.888 20 0 FHADHO Cc1noc2ncc(C[NH2+][C@@H](C)[C@@H]3CCN(Cc4ccccc4)C3)cc12 ZINC000894422992 945621203 /nfs/dbraw/zinc/62/12/03/945621203.db2.gz NOHASCAZABYDRR-HNAYVOBHSA-N 1 3 350.466 3.531 20 0 FHADHO Cc1noc2ncc(C[NH2+][C@H](C)[C@H]3CCN(Cc4ccccc4)C3)cc12 ZINC000894422990 945621419 /nfs/dbraw/zinc/62/14/19/945621419.db2.gz NOHASCAZABYDRR-BEFAXECRSA-N 1 3 350.466 3.531 20 0 FHADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(-c2c(F)cccc2F)cc1 ZINC000519793444 945747023 /nfs/dbraw/zinc/74/70/23/945747023.db2.gz QOAVFCBXNLJOIC-OAHLLOKOSA-N 1 3 360.448 3.739 20 0 FHADHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc(OC(C)C)c(Cl)c2)CC1 ZINC000519836152 945798325 /nfs/dbraw/zinc/79/83/25/945798325.db2.gz BYBXPMCYHCWSEH-SJORKVTESA-N 1 3 367.965 3.804 20 0 FHADHO CC(C)C[C@H](N)C(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000662755886 945887231 /nfs/dbraw/zinc/88/72/31/945887231.db2.gz GXRPBOMLPZNOPG-LEWJYISDSA-N 1 3 371.569 3.509 20 0 FHADHO CCC[C@H]([NH2+]C(C)C)C(=O)Nc1cc(C)cc(N2CCN(C(C)C)CC2)c1 ZINC000508480083 946043468 /nfs/dbraw/zinc/04/34/68/946043468.db2.gz ZAVHEVRTEHPSAN-NRFANRHFSA-N 1 3 374.573 3.631 20 0 FHADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)Nc1cccc(CN(C)C)c1)c1ccccc1 ZINC000103174140 946229867 /nfs/dbraw/zinc/22/98/67/946229867.db2.gz WTIVINZJADGCJQ-QGZVFWFLSA-N 1 3 368.525 3.999 20 0 FHADHO Cc1nc2ccc(Br)cc2c(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c1C ZINC000302868382 946359523 /nfs/dbraw/zinc/35/95/23/946359523.db2.gz WWIHWANZZIOMCT-OKILXGFUSA-N 1 3 360.299 3.612 20 0 FHADHO Cc1nc2ccc(Br)cc2c(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1C ZINC000302868382 946359531 /nfs/dbraw/zinc/35/95/31/946359531.db2.gz WWIHWANZZIOMCT-OKILXGFUSA-N 1 3 360.299 3.612 20 0 FHADHO CC(C)C[C@@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)N(C)C)c1cccs1 ZINC000475129139 946434476 /nfs/dbraw/zinc/43/44/76/946434476.db2.gz LMULYIZOWSVLGC-RTBURBONSA-N 1 3 373.566 3.844 20 0 FHADHO C[NH+](C)CCOc1cc(CN[C@@H](c2cccnc2)C2CCCCC2)ccn1 ZINC000652172175 946437408 /nfs/dbraw/zinc/43/74/08/946437408.db2.gz NOXLZZDHNIJIHK-JOCHJYFZSA-N 1 3 368.525 3.828 20 0 FHADHO CC1CC[NH+](CCC[C@@H](N[C@@H](CO)CCF)c2ccc(F)cc2)CC1 ZINC000652301933 946651125 /nfs/dbraw/zinc/65/11/25/946651125.db2.gz KPWWWSDPISZOAB-WOJBJXKFSA-N 1 3 354.485 3.689 20 0 FHADHO CCCN1CCN(c2ccccc2C[N@@H+]2CCC[C@@](C)(OC)CC2)CC1 ZINC000475570505 946685215 /nfs/dbraw/zinc/68/52/15/946685215.db2.gz SURGQIGOKTUMGU-JOCHJYFZSA-N 1 3 359.558 3.610 20 0 FHADHO CCCN1CCN(c2ccccc2C[N@H+]2CCC[C@@](C)(OC)CC2)CC1 ZINC000475570505 946685222 /nfs/dbraw/zinc/68/52/22/946685222.db2.gz SURGQIGOKTUMGU-JOCHJYFZSA-N 1 3 359.558 3.610 20 0 FHADHO C[C@H]([NH2+][C@@H]1CCCc2occc21)c1cc(F)ccc1N1CCN(C)CC1 ZINC000192831529 946700012 /nfs/dbraw/zinc/70/00/12/946700012.db2.gz PPCAQZYFTUPYMR-HNAYVOBHSA-N 1 3 357.473 3.899 20 0 FHADHO C[C@@H]1CC(N2CC[C@H](Oc3ccccn3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168060276 946780318 /nfs/dbraw/zinc/78/03/18/946780318.db2.gz WGHITPSXNXLXIN-KNKQGSTJSA-N 1 3 365.521 3.976 20 0 FHADHO CC1CC[NH+](Cc2ccccc2CNC(=O)C[C@@H](N)c2ccccc2)CC1 ZINC000119452405 946784386 /nfs/dbraw/zinc/78/43/86/946784386.db2.gz VKGNVOPPYJPKJJ-JOCHJYFZSA-N 1 3 365.521 3.625 20 0 FHADHO Cc1ccc(Cl)cc1NC(=O)[C@H](C)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976666 946889314 /nfs/dbraw/zinc/88/93/14/946889314.db2.gz RSYIAQXLNIDVMJ-BBWFWOEESA-N 1 3 363.933 3.687 20 0 FHADHO C[C@H](c1cccc(Br)c1)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652350449 946894774 /nfs/dbraw/zinc/89/47/74/946894774.db2.gz ZKZKKCSTUSRRJX-SIUPPRGNSA-N 1 3 367.331 3.728 20 0 FHADHO c1ccc(-n2nc(CN3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)c3c2CCC3)cc1 ZINC000647978554 946975214 /nfs/dbraw/zinc/97/52/14/946975214.db2.gz USGCOUQEAXKEGY-RBUKOAKNSA-N 1 3 364.537 3.573 20 0 FHADHO C[C@H]1CN(Cc2ccc(-c3cccs3)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000444669986 947093730 /nfs/dbraw/zinc/09/37/30/947093730.db2.gz HRAPHVAVLGHTMS-RXVVDRJESA-N 1 3 369.578 3.873 20 0 FHADHO C[NH+]1CCC(CCN[C@@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000536301657 947196166 /nfs/dbraw/zinc/19/61/66/947196166.db2.gz AWMKZHONXFCWEB-MRXNPFEDSA-N 1 3 355.295 3.897 20 0 FHADHO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)N(C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662265066 947684386 /nfs/dbraw/zinc/68/43/86/947684386.db2.gz WATJTVDBSVTNQF-AEFFLSMTSA-N 1 3 371.550 3.941 20 0 FHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCc1sccc1Br ZINC000925761187 947698125 /nfs/dbraw/zinc/69/81/25/947698125.db2.gz AZUHAKZXQHLIGF-SNVBAGLBSA-N 1 3 354.317 3.566 20 0 FHADHO Cc1ccccc1-c1noc([C@H](C)N2CCC[C@@H](C3CC[NH2+]CC3)C2)n1 ZINC000662295221 947716662 /nfs/dbraw/zinc/71/66/62/947716662.db2.gz GCMOZBQEYRORSF-FUHWJXTLSA-N 1 3 354.498 3.818 20 0 FHADHO Fc1ccc(-c2nc(CN3CCC[C@@H](C4CC[NH2+]CC4)C3)co2)cc1F ZINC000662295228 947718114 /nfs/dbraw/zinc/71/81/14/947718114.db2.gz UKJCKSCBHYKVSW-MRXNPFEDSA-N 1 3 361.436 3.831 20 0 FHADHO COc1ccc(-c2cnc(CN3CCC[C@H](C4CC[NH2+]CC4)C3)o2)cc1 ZINC000662298005 947719679 /nfs/dbraw/zinc/71/96/79/947719679.db2.gz SYCYDDDFPCSXEW-SFHVURJKSA-N 1 3 355.482 3.562 20 0 FHADHO COc1ccc(-c2nc(CN3CCC[C@@H](C4CC[NH2+]CC4)C3)co2)cc1 ZINC000662299065 947720652 /nfs/dbraw/zinc/72/06/52/947720652.db2.gz ZKAGBSJAWQTJBT-GOSISDBHSA-N 1 3 355.482 3.562 20 0 FHADHO CCc1cccc(CC)c1NC(=O)[C@H](C)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662297272 947723849 /nfs/dbraw/zinc/72/38/49/947723849.db2.gz OXZVURNODCHIOC-LAUBAEHRSA-N 1 3 371.569 3.850 20 0 FHADHO C[C@H]1CN(CCC[NH2+]Cc2ccc(OC(F)F)c(Cl)c2)CCCO1 ZINC000432346524 948179221 /nfs/dbraw/zinc/17/92/21/948179221.db2.gz LPQPKFGTRGYIRA-ZDUSSCGKSA-N 1 3 362.848 3.532 20 0 FHADHO CC[NH+](CC)CCC[C@H](C)N1C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001167833866 948238026 /nfs/dbraw/zinc/23/80/26/948238026.db2.gz FHEKKPMKWRUSMK-BZSNNMDCSA-N 1 3 355.567 3.827 20 0 FHADHO CN(CCCCNC(=O)OC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001168003513 948300249 /nfs/dbraw/zinc/30/02/49/948300249.db2.gz OFDWXLMBTDLREM-DFNIBXOVSA-N 1 3 365.562 3.629 20 0 FHADHO CN(CCCCNC(=O)OC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001168003513 948300254 /nfs/dbraw/zinc/30/02/54/948300254.db2.gz OFDWXLMBTDLREM-DFNIBXOVSA-N 1 3 365.562 3.629 20 0 FHADHO C[C@@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1cccc(-c2ccncc2)c1 ZINC000432410925 948357151 /nfs/dbraw/zinc/35/71/51/948357151.db2.gz SYEGPEIYXLVLEH-RTBURBONSA-N 1 3 353.510 3.900 20 0 FHADHO C[C@@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1cccc(-c2ccncc2)c1 ZINC000432410925 948357153 /nfs/dbraw/zinc/35/71/53/948357153.db2.gz SYEGPEIYXLVLEH-RTBURBONSA-N 1 3 353.510 3.900 20 0 FHADHO COc1cc([C@H](C)NCCC[N@@H+]2CCCO[C@@H](C)C2)ccc1SC ZINC000432412366 948358856 /nfs/dbraw/zinc/35/88/56/948358856.db2.gz BPTZOLUHGXQIEJ-HOTGVXAUSA-N 1 3 352.544 3.569 20 0 FHADHO COc1cc([C@H](C)NCCC[N@H+]2CCCO[C@@H](C)C2)ccc1SC ZINC000432412366 948358864 /nfs/dbraw/zinc/35/88/64/948358864.db2.gz BPTZOLUHGXQIEJ-HOTGVXAUSA-N 1 3 352.544 3.569 20 0 FHADHO CCOc1ccc([C@@H](C)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1OCC ZINC000432415641 948362875 /nfs/dbraw/zinc/36/28/75/948362875.db2.gz OILGXJXSGANAPA-ZWKOTPCHSA-N 1 3 364.530 3.636 20 0 FHADHO CCOc1ccc([C@@H](C)NCCC[N@H+]2CCCO[C@@H](C)C2)cc1OCC ZINC000432415641 948362879 /nfs/dbraw/zinc/36/28/79/948362879.db2.gz OILGXJXSGANAPA-ZWKOTPCHSA-N 1 3 364.530 3.636 20 0 FHADHO C[C@@H]1C[C@@H]([NH2+][C@@H](CO)c2ccc(F)cc2)C[C@H](C)N1Cc1ccccc1 ZINC001168004832 948412909 /nfs/dbraw/zinc/41/29/09/948412909.db2.gz AFKDNQFVVRGGDA-YVCBRDFCSA-N 1 3 356.485 3.890 20 0 FHADHO COC(=O)[C@H]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)[C@H]1c1ccccc1 ZINC001168005135 948462138 /nfs/dbraw/zinc/46/21/38/948462138.db2.gz GOCWJMTYSGLSOF-OACCOTFLSA-N 1 3 368.521 3.628 20 0 FHADHO COC(=O)[C@H]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)[C@H]1c1ccccc1 ZINC001168005135 948462145 /nfs/dbraw/zinc/46/21/45/948462145.db2.gz GOCWJMTYSGLSOF-OACCOTFLSA-N 1 3 368.521 3.628 20 0 FHADHO Brc1cccc2c1OCCC[C@H]2[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000152416089 948594452 /nfs/dbraw/zinc/59/44/52/948594452.db2.gz UOEGFPDYAOISAI-CXAGYDPISA-N 1 3 365.315 3.737 20 0 FHADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(OCC(F)(F)F)cc2)C[C@H](C)O1 ZINC000067452678 948783298 /nfs/dbraw/zinc/78/32/98/948783298.db2.gz SYLRRIHIKBVAGS-IYBDPMFKSA-N 1 3 374.447 3.607 20 0 FHADHO CCCCn1nc(C)c(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c1Cl ZINC000067452836 948790068 /nfs/dbraw/zinc/79/00/68/948790068.db2.gz ZKDUGIIZZOCUSU-IYBDPMFKSA-N 1 3 370.969 3.624 20 0 FHADHO Cc1cc(C(C)(C)C)ccc1OC[C@H](O)CNC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000521426925 568009887 /nfs/dbraw/zinc/00/98/87/568009887.db2.gz UPMYQXMLHBNRSU-OTYNDTSQSA-N 1 3 374.569 3.637 20 0 FHADHO Cc1cc(C(C)(C)C)ccc1OC[C@H](O)CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000521426925 568009889 /nfs/dbraw/zinc/00/98/89/568009889.db2.gz UPMYQXMLHBNRSU-OTYNDTSQSA-N 1 3 374.569 3.637 20 0 FHADHO CCN(C(=O)[C@H](C)N1CCC(C[NH+](CC)CC)CC1)C1CCCCC1 ZINC000521428629 568020484 /nfs/dbraw/zinc/02/04/84/568020484.db2.gz LNEHUDUSZWPNHH-SFHVURJKSA-N 1 3 351.579 3.610 20 0 FHADHO c1ccc(CN2CC[C@H]([NH2+]C3CC(N4CCCCC4)C3)CC23CC3)cc1 ZINC000563119698 568224503 /nfs/dbraw/zinc/22/45/03/568224503.db2.gz FTCVNNIFPRYKFP-HWELCPFYSA-N 1 3 353.554 3.790 20 0 FHADHO Cc1cc(C[N@@H+](C)C2CCN(C3CCOCC3)CC2)c2ccccc2n1 ZINC000365439744 568674324 /nfs/dbraw/zinc/67/43/24/568674324.db2.gz XRNLCPXBMRUODT-UHFFFAOYSA-N 1 3 353.510 3.618 20 0 FHADHO Cc1cc(C[N@H+](C)C2CCN(C3CCOCC3)CC2)c2ccccc2n1 ZINC000365439744 568674326 /nfs/dbraw/zinc/67/43/26/568674326.db2.gz XRNLCPXBMRUODT-UHFFFAOYSA-N 1 3 353.510 3.618 20 0 FHADHO C[C@H]([NH2+]CCCCCCC[NH+]1CCCC1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824584708 609141217 /nfs/dbraw/zinc/14/12/17/609141217.db2.gz FIOQMUIAZFRAES-INIZCTEOSA-N 1 3 374.508 3.703 20 0 FHADHO C[C@H]([NH2+]CCCCCCC[NH+]1CCCC1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824584708 609141218 /nfs/dbraw/zinc/14/12/18/609141218.db2.gz FIOQMUIAZFRAES-INIZCTEOSA-N 1 3 374.508 3.703 20 0 FHADHO C[NH+](C)CC1CCN(Cc2c[nH]c3cccc(Br)c23)CC1 ZINC001139966897 928649665 /nfs/dbraw/zinc/64/96/65/928649665.db2.gz IWLJGNLALVIELC-UHFFFAOYSA-N 1 3 350.304 3.704 20 0 FHADHO CC(=O)OC(C)(C)CCC[NH+]1CCC2(CN(Cc3ccccc3)C2)CC1 ZINC001209155129 929363469 /nfs/dbraw/zinc/36/34/69/929363469.db2.gz FCPXIRNSTLZBPB-UHFFFAOYSA-N 1 3 358.526 3.706 20 0 FHADHO C[C@H]1C[C@H](N(C)Cc2ccc(Br)c3cccnc23)CC[N@@H+]1C ZINC000180196362 929413613 /nfs/dbraw/zinc/41/36/13/929413613.db2.gz VQXKUHNHDTZOQQ-DZGCQCFKSA-N 1 3 362.315 3.912 20 0 FHADHO C[C@H]1C[C@H](N(C)Cc2ccc(Br)c3cccnc23)CC[N@H+]1C ZINC000180196362 929413619 /nfs/dbraw/zinc/41/36/19/929413619.db2.gz VQXKUHNHDTZOQQ-DZGCQCFKSA-N 1 3 362.315 3.912 20 0 FHADHO CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)CCC[NH+]1CCCCC1 ZINC001167329234 929903905 /nfs/dbraw/zinc/90/39/05/929903905.db2.gz AFHZNIGHRPDJJC-UHFFFAOYSA-N 1 3 358.505 3.956 20 0 FHADHO O=C(Nc1ccc(SCC[NH+]2CCCCC2)cc1)C12CCCN1CCC2 ZINC000580200527 930353592 /nfs/dbraw/zinc/35/35/92/930353592.db2.gz XDJTZEWWMKGJDP-UHFFFAOYSA-N 1 3 373.566 3.832 20 0 FHADHO C[C@@H](CN1CCC[C@H](C)C1)[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000580232939 930390985 /nfs/dbraw/zinc/39/09/85/930390985.db2.gz DSQQRGQLEUACHY-OALUTQOASA-N 1 3 361.549 3.543 20 0 FHADHO Cc1ccc(C)c2c1CCC[C@@H]2NCc1ccnc(OCC[NH+](C)C)c1 ZINC000471587904 930786975 /nfs/dbraw/zinc/78/69/75/930786975.db2.gz WKIMVPSDCKSZLN-FQEVSTJZSA-N 1 3 353.510 3.806 20 0 FHADHO CC(C)N1CC[C@H](C[NH2+][C@H](C)Cc2ccc(Br)cc2F)C1 ZINC000580801764 931166037 /nfs/dbraw/zinc/16/60/37/931166037.db2.gz WYSDEHUNVQQQMR-ZIAGYGMSSA-N 1 3 357.311 3.839 20 0 FHADHO CCN(CC)[C@@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)c1ccsc1 ZINC000510367755 931654942 /nfs/dbraw/zinc/65/49/42/931654942.db2.gz TVTJBMQTMAGZTH-AEFFLSMTSA-N 1 3 351.560 3.512 20 0 FHADHO C[C@]1(C[NH2+]Cc2cnc([C@@H]3CCCO3)s2)CCN(Cc2ccccc2)C1 ZINC000375638690 931703567 /nfs/dbraw/zinc/70/35/67/931703567.db2.gz INBDRJITEWDDML-PZJWPPBQSA-N 1 3 371.550 3.996 20 0 FHADHO CC(C)[C@H]([NH3+])CCN(C)CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000430570257 931903351 /nfs/dbraw/zinc/90/33/51/931903351.db2.gz MYEGYDHALCCERB-NQIIRXRSSA-N 1 3 373.566 3.649 20 0 FHADHO CN(CCC(=O)Nc1ccccc1Oc1ccccc1)CC(C)(C)C[NH3+] ZINC000430582571 931953484 /nfs/dbraw/zinc/95/34/84/931953484.db2.gz KFNABGGZGIBGFA-UHFFFAOYSA-N 1 3 355.482 3.724 20 0 FHADHO CC1=C[C@@H](C)C[C@H](C[NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)C1 ZINC000581577117 932265832 /nfs/dbraw/zinc/26/58/32/932265832.db2.gz NTSZETYZRWBJKX-NQIIRXRSSA-N 1 3 369.553 3.594 20 0 FHADHO CC1=C[C@@H](C)C[C@@H](C[NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)C1 ZINC000581577119 932265931 /nfs/dbraw/zinc/26/59/31/932265931.db2.gz NTSZETYZRWBJKX-WIYYLYMNSA-N 1 3 369.553 3.594 20 0 FHADHO Fc1cccc(F)c1-c1n[nH]cc1CN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656784069 932419853 /nfs/dbraw/zinc/41/98/53/932419853.db2.gz CJRTUFIEZYNBPF-HNNXBMFYSA-N 1 3 360.452 3.567 20 0 FHADHO NC[C@@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1CCCOCC(F)(F)F ZINC000471829932 933072789 /nfs/dbraw/zinc/07/27/89/933072789.db2.gz GVBXGGMBGORFHQ-QZTJIDSGSA-N 1 3 358.448 3.628 20 0 FHADHO NC[C@@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CCCOCC(F)(F)F ZINC000471829932 933072794 /nfs/dbraw/zinc/07/27/94/933072794.db2.gz GVBXGGMBGORFHQ-QZTJIDSGSA-N 1 3 358.448 3.628 20 0 FHADHO c1c(CN2CCC3(CC[NH2+]C3)CC2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000430916114 933410721 /nfs/dbraw/zinc/41/07/21/933410721.db2.gz TXHVHYUGYRGAEJ-UHFFFAOYSA-N 1 3 373.504 3.510 20 0 FHADHO C[C@@H]([NH3+])C1CCN(CC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)CC1 ZINC000430927133 933424875 /nfs/dbraw/zinc/42/48/75/933424875.db2.gz PQVACYAFOMTBIN-DYESRHJHSA-N 1 3 371.569 3.707 20 0 FHADHO CCN1CCN([C@H](C)C[NH2+][C@H](c2cccc(C)c2)c2cccc(F)c2)CC1 ZINC000510747790 933639311 /nfs/dbraw/zinc/63/93/11/933639311.db2.gz FRGKDZLHBNOEKX-AUSIDOKSSA-N 1 3 369.528 3.839 20 0 FHADHO CCOc1cc(CN2CCC(CC[NH+](C)C)CC2)ccc1OC(F)F ZINC000092381340 934031930 /nfs/dbraw/zinc/03/19/30/934031930.db2.gz WBJSBXAYYORKMV-UHFFFAOYSA-N 1 3 356.457 3.850 20 0 FHADHO C[C@@H]1C[N@H+](CCCN[C@H]2CCc3ccc(Br)cc32)CCCO1 ZINC000510960857 934228268 /nfs/dbraw/zinc/22/82/68/934228268.db2.gz KSCCOCAEHPGKLK-KDOFPFPSSA-N 1 3 367.331 3.527 20 0 FHADHO C[C@@H]1C[N@@H+](CCCN[C@H]2CCc3ccc(Br)cc32)CCCO1 ZINC000510960857 934228273 /nfs/dbraw/zinc/22/82/73/934228273.db2.gz KSCCOCAEHPGKLK-KDOFPFPSSA-N 1 3 367.331 3.527 20 0 FHADHO CCN(CCC[NH+](CC)CC)C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000472109956 935052977 /nfs/dbraw/zinc/05/29/77/935052977.db2.gz FXADVXDDOAXTDH-CTNGQTDRSA-N 1 3 374.573 3.585 20 0 FHADHO C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc3c(c2)CNC3)[C@H]1c1cccs1 ZINC000582050936 935177178 /nfs/dbraw/zinc/17/71/78/935177178.db2.gz QVDJKTDFGIIZSF-BEFAXECRSA-N 1 3 370.522 3.556 20 0 FHADHO C[N@H+]1CCC[C@H](CNC(=O)Nc2ccc3c(c2)CNC3)[C@H]1c1cccs1 ZINC000582050936 935177182 /nfs/dbraw/zinc/17/71/82/935177182.db2.gz QVDJKTDFGIIZSF-BEFAXECRSA-N 1 3 370.522 3.556 20 0 FHADHO C[C@H](NCCCC[N@@H+]1CCCC[C@H]1C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000157873761 935216773 /nfs/dbraw/zinc/21/67/73/935216773.db2.gz TWZYJSKIHDLJII-CVEARBPZSA-N 1 3 370.534 3.534 20 0 FHADHO C[C@H](NCCCC[N@H+]1CCCC[C@H]1C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000157873761 935216777 /nfs/dbraw/zinc/21/67/77/935216777.db2.gz TWZYJSKIHDLJII-CVEARBPZSA-N 1 3 370.534 3.534 20 0 FHADHO CC(C)[N@H+](C)Cc1cccc(CNCc2ccc(O[C@H]3CCOC3)cc2)c1 ZINC000657332956 935247705 /nfs/dbraw/zinc/24/77/05/935247705.db2.gz VNKYMFREBNNLFT-QHCPKHFHSA-N 1 3 368.521 3.984 20 0 FHADHO CC(C)[N@@H+](C)Cc1cccc(CNCc2ccc(O[C@H]3CCOC3)cc2)c1 ZINC000657332956 935247708 /nfs/dbraw/zinc/24/77/08/935247708.db2.gz VNKYMFREBNNLFT-QHCPKHFHSA-N 1 3 368.521 3.984 20 0 FHADHO C[C@H]1CCCCN1CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000707947605 935309385 /nfs/dbraw/zinc/30/93/85/935309385.db2.gz FDVKYYJFNGQWFK-VJANTYMQSA-N 1 3 365.562 3.629 20 0 FHADHO Cc1ncsc1-c1ccc(C[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000657363992 935379409 /nfs/dbraw/zinc/37/94/09/935379409.db2.gz GVVJIXRSLCCOSX-SFHVURJKSA-N 1 3 371.550 3.709 20 0 FHADHO CC(C)Sc1ccc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000511195535 936100106 /nfs/dbraw/zinc/10/01/06/936100106.db2.gz DDEWFZWFCJXDHJ-GHTZIAJQSA-N 1 3 361.599 3.645 20 0 FHADHO CC(C)Sc1ccc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000511195535 936100108 /nfs/dbraw/zinc/10/01/08/936100108.db2.gz DDEWFZWFCJXDHJ-GHTZIAJQSA-N 1 3 361.599 3.645 20 0 FHADHO CC(C)Sc1ccc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000511195536 936100202 /nfs/dbraw/zinc/10/02/02/936100202.db2.gz DDEWFZWFCJXDHJ-NQIIRXRSSA-N 1 3 361.599 3.645 20 0 FHADHO CC(C)Sc1ccc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000511195536 936100206 /nfs/dbraw/zinc/10/02/06/936100206.db2.gz DDEWFZWFCJXDHJ-NQIIRXRSSA-N 1 3 361.599 3.645 20 0 FHADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C[C@@H](N)c1ccccc1 ZINC000237519865 936104614 /nfs/dbraw/zinc/10/46/14/936104614.db2.gz LUJDVOPBJKYSKT-PGRDOPGGSA-N 1 3 365.521 3.767 20 0 FHADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C[C@@H](N)c1ccccc1 ZINC000237519865 936104625 /nfs/dbraw/zinc/10/46/25/936104625.db2.gz LUJDVOPBJKYSKT-PGRDOPGGSA-N 1 3 365.521 3.767 20 0 FHADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1ccc(-c2ccc3c(c2)C[C@@H](C)O3)cc1 ZINC000582899174 936271396 /nfs/dbraw/zinc/27/13/96/936271396.db2.gz AJTLXIFXQSAXNO-FHTPNYMGSA-N 1 3 366.505 3.519 20 0 FHADHO CN(C)c1ccncc1CNC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000657773621 938310793 /nfs/dbraw/zinc/31/07/93/938310793.db2.gz UFHXORZYGZLKEY-NRFANRHFSA-N 1 3 364.537 3.540 20 0 FHADHO CN(C)c1ccncc1CNC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000657773621 938310794 /nfs/dbraw/zinc/31/07/94/938310794.db2.gz UFHXORZYGZLKEY-NRFANRHFSA-N 1 3 364.537 3.540 20 0 FHADHO CCn1nc(C)c(C[NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCC3)c1C ZINC000657772944 938313070 /nfs/dbraw/zinc/31/30/70/938313070.db2.gz OVNLRPXDXDJQRO-NRFANRHFSA-N 1 3 366.553 3.912 20 0 FHADHO CN(c1ccccc1CN1CC(C)(C)[C@H]1[C@H]1CCCO1)C1CC[NH+](C)CC1 ZINC000583665590 938348929 /nfs/dbraw/zinc/34/89/29/938348929.db2.gz FGMVTQMSXLEIMI-FGZHOGPDSA-N 1 3 371.569 3.606 20 0 FHADHO CN(c1ccccc1CN1CC(C)(C)[C@@H]1[C@@H]1CCCO1)C1CC[NH+](C)CC1 ZINC000583665591 938349364 /nfs/dbraw/zinc/34/93/64/938349364.db2.gz FGMVTQMSXLEIMI-VXKWHMMOSA-N 1 3 371.569 3.606 20 0 FHADHO CCCO[C@H]1CCCN(CCC[N@@H+]2CCC[C@H](OCCC)CC2)CC1 ZINC000158050083 938467755 /nfs/dbraw/zinc/46/77/55/938467755.db2.gz VQJJMXJQPSBUMB-SFTDATJTSA-N 1 3 354.579 3.939 20 0 FHADHO CCCO[C@H]1CCCN(CCC[N@H+]2CCC[C@H](OCCC)CC2)CC1 ZINC000158050083 938467758 /nfs/dbraw/zinc/46/77/58/938467758.db2.gz VQJJMXJQPSBUMB-SFTDATJTSA-N 1 3 354.579 3.939 20 0 FHADHO Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3nc4c(s3)C[C@H](C)CC4)C2)n1 ZINC000092813233 938524147 /nfs/dbraw/zinc/52/41/47/938524147.db2.gz LMRMESZQMXTZBY-ZBFHGGJFSA-N 1 3 356.539 3.905 20 0 FHADHO Cc1cccc(NC[C@@H]2CC[N@H+](Cc3nc4c(s3)C[C@H](C)CC4)C2)n1 ZINC000092813233 938524149 /nfs/dbraw/zinc/52/41/49/938524149.db2.gz LMRMESZQMXTZBY-ZBFHGGJFSA-N 1 3 356.539 3.905 20 0 FHADHO Cc1cccc(N2CCN(CCCC[NH2+][C@H](C)c3ccc(F)cn3)CC2)c1 ZINC000092737930 938919036 /nfs/dbraw/zinc/91/90/36/938919036.db2.gz IZYSEMFMUDQCDM-LJQANCHMSA-N 1 3 370.516 3.782 20 0 FHADHO COCC[N@H+](C)CCCC1CCN(Cc2cnc(C3CCC3)s2)CC1 ZINC000093769482 938930115 /nfs/dbraw/zinc/93/01/15/938930115.db2.gz YLAZUVNYERHZBV-UHFFFAOYSA-N 1 3 365.587 3.981 20 0 FHADHO COCC[N@@H+](C)CCCC1CCN(Cc2cnc(C3CCC3)s2)CC1 ZINC000093769482 938930116 /nfs/dbraw/zinc/93/01/16/938930116.db2.gz YLAZUVNYERHZBV-UHFFFAOYSA-N 1 3 365.587 3.981 20 0 FHADHO C[NH+](C)[C@@H](CC(=O)NC[C@H](c1cccs1)N1CCCC1)c1ccccc1 ZINC000431562300 938970517 /nfs/dbraw/zinc/97/05/17/938970517.db2.gz BROGSSXYHFWCSL-RBUKOAKNSA-N 1 3 371.550 3.694 20 0 FHADHO C[C@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1nccc2ccccc21 ZINC000685653815 939009075 /nfs/dbraw/zinc/00/90/75/939009075.db2.gz XECVKWPPFOZJNP-UWJYYQICSA-N 1 3 361.489 3.652 20 0 FHADHO C[C@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1nccc2ccccc21 ZINC000685653815 939009076 /nfs/dbraw/zinc/00/90/76/939009076.db2.gz XECVKWPPFOZJNP-UWJYYQICSA-N 1 3 361.489 3.652 20 0 FHADHO C[C@H](NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccc(Cl)c(F)c1 ZINC000658138010 939040599 /nfs/dbraw/zinc/04/05/99/939040599.db2.gz LSLSBGPWLLPOBD-KSSFIOAISA-N 1 3 362.876 3.897 20 0 FHADHO C[C@H](NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc(Cl)c(F)c1 ZINC000658138010 939040602 /nfs/dbraw/zinc/04/06/02/939040602.db2.gz LSLSBGPWLLPOBD-KSSFIOAISA-N 1 3 362.876 3.897 20 0 FHADHO O[C@H]1CC[N@H+](Cc2ccc(CN[C@@H]3CCc4ccc(Cl)cc43)cc2)C1 ZINC000658138849 939041202 /nfs/dbraw/zinc/04/12/02/939041202.db2.gz OOICFGUOBJSCFK-PZJWPPBQSA-N 1 3 356.897 3.684 20 0 FHADHO O[C@H]1CC[N@@H+](Cc2ccc(CN[C@@H]3CCc4ccc(Cl)cc43)cc2)C1 ZINC000658138849 939041210 /nfs/dbraw/zinc/04/12/10/939041210.db2.gz OOICFGUOBJSCFK-PZJWPPBQSA-N 1 3 356.897 3.684 20 0 FHADHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1cnn(C2CCCC2)c1 ZINC000658167523 939055057 /nfs/dbraw/zinc/05/50/57/939055057.db2.gz SNQFJPOJSQZCEW-GOSISDBHSA-N 1 3 367.541 3.956 20 0 FHADHO Cc1ncncc1[C@@H](C)[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000658319252 939109891 /nfs/dbraw/zinc/10/98/91/939109891.db2.gz YJTYRMXZXPDTHH-XLIONFOSSA-N 1 3 350.510 3.738 20 0 FHADHO C[C@H](NCC1(C)CC[NH+](C)CC1)c1ccccc1I ZINC000507429583 945232022 /nfs/dbraw/zinc/23/20/22/945232022.db2.gz PGGTZRYNEGRWSI-ZDUSSCGKSA-N 1 3 372.294 3.674 20 0 FHADHO CCc1cccnc1[C@@H](C)[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000507464359 945264728 /nfs/dbraw/zinc/26/47/28/945264728.db2.gz XEGNHCJQDJEXDC-HXUWFJFHSA-N 1 3 366.553 3.897 20 0 FHADHO O[C@H](C[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000312932171 945267011 /nfs/dbraw/zinc/26/70/11/945267011.db2.gz ODFBRPCYFLSRGY-XMSQKQJNSA-N 1 3 374.475 3.890 20 0 FHADHO C[C@H](CCO)C1(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CCC1 ZINC000507536271 945295253 /nfs/dbraw/zinc/29/52/53/945295253.db2.gz WLXJOJWILQQYKX-PSWRPDDJSA-N 1 3 356.554 3.675 20 0 FHADHO Cc1cc2ncc([C@H](C)[NH2+]C[C@H]3CCN(C)[C@H]3c3ccccc3)c(C)n2n1 ZINC000376162186 940392407 /nfs/dbraw/zinc/39/24/07/940392407.db2.gz LNQOYLKWIXUTIZ-NBCNXNJRSA-N 1 3 363.509 3.690 20 0 FHADHO C[C@H](C(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)N1CCCCCC1 ZINC000472503096 940445539 /nfs/dbraw/zinc/44/55/39/940445539.db2.gz RVSDZFNBVAPBOF-DYQZNNLLSA-N 1 3 371.569 3.524 20 0 FHADHO C[C@H](C(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)N1CCCCCC1 ZINC000472503096 940445540 /nfs/dbraw/zinc/44/55/40/940445540.db2.gz RVSDZFNBVAPBOF-DYQZNNLLSA-N 1 3 371.569 3.524 20 0 FHADHO CC(C)N(CCN(C)C)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000440255240 945347217 /nfs/dbraw/zinc/34/72/17/945347217.db2.gz YMFZSADQRXUUOO-IBGZPJMESA-N 1 3 374.573 3.632 20 0 FHADHO CCn1cc([C@@H]2OCC[C@H]2CNC2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)cn1 ZINC000414257069 940845092 /nfs/dbraw/zinc/84/50/92/940845092.db2.gz WVGNRCJKLMMMSK-GMQQQROESA-N 1 3 374.573 3.613 20 0 FHADHO CN1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(C(=O)Nc3ccccc3)cc1)C2 ZINC000660651947 945353959 /nfs/dbraw/zinc/35/39/59/945353959.db2.gz FIFBSSZZTWZJSM-HSZRJFAPSA-N 1 3 363.505 3.857 20 0 FHADHO CN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(C(=O)Nc3ccccc3)cc1)C2 ZINC000660651947 945353969 /nfs/dbraw/zinc/35/39/69/945353969.db2.gz FIFBSSZZTWZJSM-HSZRJFAPSA-N 1 3 363.505 3.857 20 0 FHADHO OC1(C[NH2+][C@@H]2CCCc3cc(F)ccc32)CCN(Cc2ccccc2)CC1 ZINC000414306448 940929571 /nfs/dbraw/zinc/92/95/71/940929571.db2.gz OFDOLVHLHSKKCN-JOCHJYFZSA-N 1 3 368.496 3.820 20 0 FHADHO O[C@@H](CNC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000310874062 940963371 /nfs/dbraw/zinc/96/33/71/940963371.db2.gz GMENVLHQZRKDSZ-NQIIRXRSSA-N 1 3 358.913 3.875 20 0 FHADHO O[C@@H](CNC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000310874062 940963373 /nfs/dbraw/zinc/96/33/73/940963373.db2.gz GMENVLHQZRKDSZ-NQIIRXRSSA-N 1 3 358.913 3.875 20 0 FHADHO CC[C@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1cccc(F)c1 ZINC000187804248 941126618 /nfs/dbraw/zinc/12/66/18/941126618.db2.gz DOKZBMCIMNYTEA-QFIPXVFZSA-N 1 3 355.501 3.814 20 0 FHADHO CC[NH+](CC)CCN(Cc1cccs1)C(=O)C[C@@H]1NCc2ccccc21 ZINC000659285226 941148242 /nfs/dbraw/zinc/14/82/42/941148242.db2.gz QPCQQTJPRYJCAL-FQEVSTJZSA-N 1 3 371.550 3.653 20 0 FHADHO [NH3+]C[C@H]1CC[C@H](NCc2csc(-c3cccc(Br)c3)n2)C1 ZINC000415035065 941558697 /nfs/dbraw/zinc/55/86/97/941558697.db2.gz KKYWSPINNXHCGP-FZMZJTMJSA-N 1 3 366.328 3.790 20 0 FHADHO [NH3+]C[C@H]1CC[C@@H](NCc2csc(-c3cccc(Br)c3)n2)C1 ZINC000415035068 941558748 /nfs/dbraw/zinc/55/87/48/941558748.db2.gz KKYWSPINNXHCGP-SMDDNHRTSA-N 1 3 366.328 3.790 20 0 FHADHO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)N[C@@H](C[NH3+])C1CCCC1 ZINC000415044850 941568505 /nfs/dbraw/zinc/56/85/05/941568505.db2.gz CAVHBJPPRWIEBG-LRDDRELGSA-N 1 3 357.420 3.530 20 0 FHADHO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)N[C@H](C[NH3+])C1CCCC1 ZINC000415044848 941568604 /nfs/dbraw/zinc/56/86/04/941568604.db2.gz CAVHBJPPRWIEBG-BLLLJJGKSA-N 1 3 357.420 3.530 20 0 FHADHO COc1cc(CN2C[C@@H](C)[C@](C)(C[NH3+])C2)c(-c2ccccc2)cc1OC ZINC000415056957 941576601 /nfs/dbraw/zinc/57/66/01/941576601.db2.gz RKGPCTZHMFOQBL-OPAMFIHVSA-N 1 3 354.494 3.788 20 0 FHADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(Cc2ccccc2OC2CCCC2)CC1 ZINC000415122370 941617846 /nfs/dbraw/zinc/61/78/46/941617846.db2.gz IFIFRKOHKXTEAF-IRLDBZIGSA-N 1 3 358.526 3.726 20 0 FHADHO [NH3+][C@@H]1CCO[C@H](C2CCN(Cc3ccc(-c4ccccc4F)o3)CC2)C1 ZINC000415122715 941619642 /nfs/dbraw/zinc/61/96/42/941619642.db2.gz KLOSLIIRJPURGL-IERDGZPVSA-N 1 3 358.457 3.804 20 0 FHADHO CCCCc1oc2ccccc2c1C[N@@H+]1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000415131128 941624184 /nfs/dbraw/zinc/62/41/84/941624184.db2.gz SBWPAAWBFHDNJA-QGZVFWFLSA-N 1 3 367.497 3.663 20 0 FHADHO CCCCc1oc2ccccc2c1C[N@H+]1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000415131128 941624186 /nfs/dbraw/zinc/62/41/86/941624186.db2.gz SBWPAAWBFHDNJA-QGZVFWFLSA-N 1 3 367.497 3.663 20 0 FHADHO CN(Cc1ccc(Br)o1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377688654 941903507 /nfs/dbraw/zinc/90/35/07/941903507.db2.gz CRJAROWSUMCIIY-UHFFFAOYSA-N 1 3 350.260 3.538 20 0 FHADHO CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)cc1 ZINC000513499373 941972615 /nfs/dbraw/zinc/97/26/15/941972615.db2.gz GBKNASJAJAEKCC-QFIPXVFZSA-N 1 3 367.537 3.870 20 0 FHADHO CC[N@@H+]1CCC[C@@H](CN(C)C/C=C\c2ccc(F)cc2)[C@@H]1c1cnn(C)c1 ZINC000434013842 942040496 /nfs/dbraw/zinc/04/04/96/942040496.db2.gz VLEAZTJXJDUDAQ-AVLNWHABSA-N 1 3 370.516 3.977 20 0 FHADHO CC[N@H+]1CCC[C@@H](CN(C)C/C=C\c2ccc(F)cc2)[C@@H]1c1cnn(C)c1 ZINC000434013842 942040501 /nfs/dbraw/zinc/04/05/01/942040501.db2.gz VLEAZTJXJDUDAQ-AVLNWHABSA-N 1 3 370.516 3.977 20 0 FHADHO CC[NH2+]Cc1cccc(NC(=O)N2CCCN(Cc3ccccc3)CC2)c1 ZINC000415904272 942130851 /nfs/dbraw/zinc/13/08/51/942130851.db2.gz AHKWFLGJCZQUPE-UHFFFAOYSA-N 1 3 366.509 3.536 20 0 FHADHO C[NH2+]Cc1ccccc1NC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000415913822 942136581 /nfs/dbraw/zinc/13/65/81/942136581.db2.gz RRYCNQPDGCZHNC-GOSISDBHSA-N 1 3 366.509 3.534 20 0 FHADHO CC[NH2+]Cc1cccc(NC(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)c1 ZINC000415923498 942153017 /nfs/dbraw/zinc/15/30/17/942153017.db2.gz VGTULYMVULCRFE-OXQOHEQNSA-N 1 3 354.498 3.609 20 0 FHADHO CC[NH2+]Cc1cccc(NC(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)c1 ZINC000415935247 942162116 /nfs/dbraw/zinc/16/21/16/942162116.db2.gz RHOCVCJTHVESMH-UWJYYQICSA-N 1 3 366.509 3.753 20 0 FHADHO CC[NH2+]Cc1cccc(NC(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)c1 ZINC000415935241 942162321 /nfs/dbraw/zinc/16/23/21/942162321.db2.gz RHOCVCJTHVESMH-UTKZUKDTSA-N 1 3 366.509 3.753 20 0 FHADHO C[C@@H]1C[N@H+](Cc2ccc(Cl)c3ccccc23)CC[C@H]1N1CCN(C)CC1 ZINC000420931713 942260888 /nfs/dbraw/zinc/26/08/88/942260888.db2.gz GVLJAHINBJLQEM-VGOFRKELSA-N 1 3 371.956 3.951 20 0 FHADHO C[C@@H]1C[N@@H+](Cc2ccc(Cl)c3ccccc23)CC[C@H]1N1CCN(C)CC1 ZINC000420931713 942260891 /nfs/dbraw/zinc/26/08/91/942260891.db2.gz GVLJAHINBJLQEM-VGOFRKELSA-N 1 3 371.956 3.951 20 0 FHADHO CCc1csc([C@@H]2CCCN(C[C@H](C[NH3+])c3ccc(OC)cc3)C2)n1 ZINC000420323069 942608895 /nfs/dbraw/zinc/60/88/95/942608895.db2.gz TVMHGLYSKMLBLT-SJORKVTESA-N 1 3 359.539 3.636 20 0 FHADHO CCc1csc([C@@H]2CCC[N@H+](C[C@H](CN)c3ccc(OC)cc3)C2)n1 ZINC000420323069 942608899 /nfs/dbraw/zinc/60/88/99/942608899.db2.gz TVMHGLYSKMLBLT-SJORKVTESA-N 1 3 359.539 3.636 20 0 FHADHO CCc1csc([C@@H]2CCC[N@@H+](C[C@H](CN)c3ccc(OC)cc3)C2)n1 ZINC000420323069 942608903 /nfs/dbraw/zinc/60/89/03/942608903.db2.gz TVMHGLYSKMLBLT-SJORKVTESA-N 1 3 359.539 3.636 20 0 FHADHO COc1ccc(Br)cc1[C@H]1CCCN1CC[C@H]1CC[NH2+]C1 ZINC000420299283 942610308 /nfs/dbraw/zinc/61/03/08/942610308.db2.gz IQDRXFVJICJMRT-CZUORRHYSA-N 1 3 353.304 3.594 20 0 FHADHO CC[N@H+](C[C@H](O)[C@@H](N)Cc1ccccc1)[C@H](C)c1cc2ccccc2o1 ZINC000420316113 942618967 /nfs/dbraw/zinc/61/89/67/942618967.db2.gz MLMAESZIBQLHPG-UXPWSPDFSA-N 1 3 352.478 3.747 20 0 FHADHO CC[N@@H+](C[C@H](O)[C@@H](N)Cc1ccccc1)[C@H](C)c1cc2ccccc2o1 ZINC000420316113 942618971 /nfs/dbraw/zinc/61/89/71/942618971.db2.gz MLMAESZIBQLHPG-UXPWSPDFSA-N 1 3 352.478 3.747 20 0 FHADHO CC[N@H+](C[C@H](O)[C@@H](N)Cc1ccccc1)[C@@H](C)c1cc2ccccc2o1 ZINC000420316116 942619162 /nfs/dbraw/zinc/61/91/62/942619162.db2.gz MLMAESZIBQLHPG-VDGAXYAQSA-N 1 3 352.478 3.747 20 0 FHADHO CC[N@@H+](C[C@H](O)[C@@H](N)Cc1ccccc1)[C@@H](C)c1cc2ccccc2o1 ZINC000420316116 942619166 /nfs/dbraw/zinc/61/91/66/942619166.db2.gz MLMAESZIBQLHPG-VDGAXYAQSA-N 1 3 352.478 3.747 20 0 FHADHO Cc1cc(-c2noc([C@H](C)N3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)n2)ccc1F ZINC000420320346 942620666 /nfs/dbraw/zinc/62/06/66/942620666.db2.gz BIZLDAOENQGXQP-UAGQMJEPSA-N 1 3 358.461 3.567 20 0 FHADHO Cc1cc(-c2noc([C@H](C)N3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)n2)ccc1F ZINC000420320344 942621395 /nfs/dbraw/zinc/62/13/95/942621395.db2.gz BIZLDAOENQGXQP-BHYGNILZSA-N 1 3 358.461 3.567 20 0 FHADHO O=C(CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccccc1-c1ccccc1 ZINC000420345666 942626731 /nfs/dbraw/zinc/62/67/31/942626731.db2.gz WHPYORIRGWLVTF-WOJBJXKFSA-N 1 3 363.505 3.614 20 0 FHADHO O=C(CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1)Nc1ccccc1-c1ccccc1 ZINC000420345659 942626768 /nfs/dbraw/zinc/62/67/68/942626768.db2.gz WHPYORIRGWLVTF-PMACEKPBSA-N 1 3 363.505 3.614 20 0 FHADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(CCOc3ccc(Cl)cc3Cl)CC2)C1 ZINC000420398453 942655170 /nfs/dbraw/zinc/65/51/70/942655170.db2.gz YSTUPMZEJQQUHK-CRAIPNDOSA-N 1 3 373.324 3.591 20 0 FHADHO C[NH+](C)CCCC1CCN(CC(=O)N(Cc2ccccc2)C(C)(C)C)CC1 ZINC000501796316 942681603 /nfs/dbraw/zinc/68/16/03/942681603.db2.gz PZHVSBGULDMHQC-UHFFFAOYSA-N 1 3 373.585 3.868 20 0 FHADHO OC1(C[NH2+]Cc2cc3cc(F)ccc3o2)CCN(Cc2ccccc2)CC1 ZINC000414548844 942773860 /nfs/dbraw/zinc/77/38/60/942773860.db2.gz KXDGXMSCWHRZOB-UHFFFAOYSA-N 1 3 368.452 3.689 20 0 FHADHO c1ccc(COCCOCCC[NH2+]C2CCN(C3CCCC3)CC2)cc1 ZINC000378540775 942872687 /nfs/dbraw/zinc/87/26/87/942872687.db2.gz CWGYRYOXVNUQDL-UHFFFAOYSA-N 1 3 360.542 3.607 20 0 FHADHO Cc1ccc(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)cc1Br ZINC000503004323 942905769 /nfs/dbraw/zinc/90/57/69/942905769.db2.gz JAGUDDSMKBSPGV-HOTGVXAUSA-N 1 3 369.347 3.737 20 0 FHADHO C[N@H+](C[C@H]1CCN(Cc2ccccc2)C1)Cn1cnc2cc(F)c(F)cc21 ZINC000173514472 942955643 /nfs/dbraw/zinc/95/56/43/942955643.db2.gz WMGFPJFHXBUQQS-QGZVFWFLSA-N 1 3 370.447 3.726 20 0 FHADHO C[N@@H+](C[C@H]1CCN(Cc2ccccc2)C1)Cn1cnc2cc(F)c(F)cc21 ZINC000173514472 942955650 /nfs/dbraw/zinc/95/56/50/942955650.db2.gz WMGFPJFHXBUQQS-QGZVFWFLSA-N 1 3 370.447 3.726 20 0 FHADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)N[C@@H](C[NH3+])C1CCCCC1 ZINC000414856446 943002829 /nfs/dbraw/zinc/00/28/29/943002829.db2.gz ZDOUFWFRIYXZJS-BEFAXECRSA-N 1 3 365.949 3.574 20 0 FHADHO CC(=O)Nc1cccc(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000272381938 943146528 /nfs/dbraw/zinc/14/65/28/943146528.db2.gz BZCQXFGIUIVYBF-LAUBAEHRSA-N 1 3 351.494 3.645 20 0 FHADHO Cc1nn(-c2ccc(Cl)cc2)c(C)c1CN1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000414674906 943199640 /nfs/dbraw/zinc/19/96/40/943199640.db2.gz SJPYTFYPDHVPQZ-BEVDRBHNSA-N 1 3 358.917 3.702 20 0 FHADHO CCCOCc1ccccc1CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422697995 943236319 /nfs/dbraw/zinc/23/63/19/943236319.db2.gz XDPDWRJRDHJDQH-GGAORHGYSA-N 1 3 366.505 3.959 20 0 FHADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCc1cc(Br)ccc1F ZINC000422700440 943237789 /nfs/dbraw/zinc/23/77/89/943237789.db2.gz HCCWEJOJBMGLOU-UGSOOPFHSA-N 1 3 365.290 3.679 20 0 FHADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCc1cc(Br)ccc1F ZINC000422700439 943238006 /nfs/dbraw/zinc/23/80/06/943238006.db2.gz HCCWEJOJBMGLOU-SCLBCKFNSA-N 1 3 365.290 3.679 20 0 FHADHO Fc1ccc(Br)cc1CCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422706259 943241252 /nfs/dbraw/zinc/24/12/52/943241252.db2.gz UBXBSCDXLPDLIH-USXIJHARSA-N 1 3 355.295 3.641 20 0 FHADHO N[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3ccccc3Br)C2)c2ccccc21 ZINC000422710557 943243980 /nfs/dbraw/zinc/24/39/80/943243980.db2.gz LLWLYWXZTBTUOW-MORSLUCNSA-N 1 3 372.310 3.762 20 0 FHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCc1ccc(Br)s1 ZINC000422712913 943244892 /nfs/dbraw/zinc/24/48/92/943244892.db2.gz IWTKDLMLNUZLSH-JTQLQIEISA-N 1 3 354.317 3.566 20 0 FHADHO COc1ccc(CN2CCC(C[N@H+](C)Cc3ccccc3)CC2)cc1O ZINC000093006797 943270163 /nfs/dbraw/zinc/27/01/63/943270163.db2.gz IHFGUNYRVPKKQN-UHFFFAOYSA-N 1 3 354.494 3.745 20 0 FHADHO COc1ccc(CN2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cc1O ZINC000093006797 943270169 /nfs/dbraw/zinc/27/01/69/943270169.db2.gz IHFGUNYRVPKKQN-UHFFFAOYSA-N 1 3 354.494 3.745 20 0 FHADHO COc1ccc2c(c1)CCC[C@@H]2N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422776042 943278157 /nfs/dbraw/zinc/27/81/57/943278157.db2.gz BZBIZHJOZSCLME-FUDKSRODSA-N 1 3 364.489 3.918 20 0 FHADHO CCOC(=O)C1([C@@H](C)N[C@@H](C)c2cc(Cl)ccc2Cl)CC[NH2+]CC1 ZINC000422776085 943278967 /nfs/dbraw/zinc/27/89/67/943278967.db2.gz CEKFSGAISUHETL-QWHCGFSZSA-N 1 3 373.324 3.965 20 0 FHADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1ccccc1COc1ccccc1Cl ZINC000422775707 943279003 /nfs/dbraw/zinc/27/90/03/943279003.db2.gz BIJITLSDLSZPDZ-QSFXBCCZSA-N 1 3 374.912 3.761 20 0 FHADHO C[C@@H](CCC[NH3+])N[C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000422781538 943280864 /nfs/dbraw/zinc/28/08/64/943280864.db2.gz FFVIDRUALBUZHC-VBKZILBWSA-N 1 3 360.885 3.918 20 0 FHADHO CCOCc1ccccc1CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422810012 943290995 /nfs/dbraw/zinc/29/09/95/943290995.db2.gz QSOIRWRCJOSPAF-UNMCSNQZSA-N 1 3 352.478 3.569 20 0 FHADHO CCN(c1ccccc1)c1ccc(CN[C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])cc1 ZINC000422789336 943293136 /nfs/dbraw/zinc/29/31/36/943293136.db2.gz ODTAVIFOKDYPFA-MTNREXPMSA-N 1 3 353.510 3.687 20 0 FHADHO C[C@@H](c1ccc(-c2ccccc2)cc1)[N@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414696288 943300331 /nfs/dbraw/zinc/30/03/31/943300331.db2.gz HDVXNAQLYKIQBC-RBUKOAKNSA-N 1 3 365.521 3.544 20 0 FHADHO C[C@@H](c1ccc(-c2ccccc2)cc1)[N@@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414696288 943300333 /nfs/dbraw/zinc/30/03/33/943300333.db2.gz HDVXNAQLYKIQBC-RBUKOAKNSA-N 1 3 365.521 3.544 20 0 FHADHO C[C@H](CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)c1c(Cl)cccc1Cl ZINC000422883288 943316454 /nfs/dbraw/zinc/31/64/54/943316454.db2.gz UPWVULBJPRCQOY-OSRSDYAFSA-N 1 3 357.325 3.844 20 0 FHADHO CCOc1ccc(C2(CN[C@@H]3C[C@H]([NH3+])c4ccccc43)CCOCC2)cc1 ZINC000422883715 943317164 /nfs/dbraw/zinc/31/71/64/943317164.db2.gz VKUPPWLIDREZTA-FCHUYYIVSA-N 1 3 366.505 3.868 20 0 FHADHO N[C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC000422887560 943319052 /nfs/dbraw/zinc/31/90/52/943319052.db2.gz BGGJFWMLBSNJGX-VQTJNVASSA-N 1 3 355.457 3.828 20 0 FHADHO Cc1cc(C)n(-c2ccc(CN[C@@H]3CCC[C@@H]3C[NH3+])c(C(F)(F)F)c2)n1 ZINC000422897994 943324037 /nfs/dbraw/zinc/32/40/37/943324037.db2.gz DEHDQLFRZWJRJU-RDTXWAMCSA-N 1 3 366.431 3.725 20 0 FHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H](C(C)C)N1CCc2ccccc2C1 ZINC000422937024 943337796 /nfs/dbraw/zinc/33/77/96/943337796.db2.gz IZAIREYQRQAUSX-UZUQRXQVSA-N 1 3 366.553 3.582 20 0 FHADHO COc1ccc([C@H](N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C2CC2)cc1 ZINC000422944129 943342182 /nfs/dbraw/zinc/34/21/82/943342182.db2.gz RRPWJTHQHJXDJN-WWNPGLIZSA-N 1 3 364.489 3.992 20 0 FHADHO C[C@@H]1CN(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)[C@H](C)CN1 ZINC000414707452 943343525 /nfs/dbraw/zinc/34/35/25/943343525.db2.gz HYWGIIMEPVEKLH-IAGOWNOFSA-N 1 3 358.530 3.665 20 0 FHADHO C[C@@H]1CN(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)[C@H](C)CN1 ZINC000414707452 943343530 /nfs/dbraw/zinc/34/35/30/943343530.db2.gz HYWGIIMEPVEKLH-IAGOWNOFSA-N 1 3 358.530 3.665 20 0 FHADHO C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]Cc1ccnc(OCc2ccccc2)c1 ZINC000422966521 943343648 /nfs/dbraw/zinc/34/36/48/943343648.db2.gz AKQWOYYYXYPUJM-GCJKJVERSA-N 1 3 361.489 3.709 20 0 FHADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)Nc1cccc(CN2CCSCC2)c1 ZINC000422955766 943349379 /nfs/dbraw/zinc/34/93/79/943349379.db2.gz NKEKSRQAZMECQV-UTKZUKDTSA-N 1 3 355.551 3.606 20 0 FHADHO C[C@H]([NH3+])C1CCN(Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000435375908 943357145 /nfs/dbraw/zinc/35/71/45/943357145.db2.gz OVBKYJSNRNQGRM-AWEZNQCLSA-N 1 3 366.431 3.509 20 0 FHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000423009762 943363456 /nfs/dbraw/zinc/36/34/56/943363456.db2.gz DTWFNFWZKUAVMJ-PNHOKKKMSA-N 1 3 358.917 3.598 20 0 FHADHO Cc1nc(CN)ccc1[C@H](C)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC000423020972 943366943 /nfs/dbraw/zinc/36/69/43/943366943.db2.gz ARNUDDIBYOKZRX-KRWDZBQOSA-N 1 3 367.541 3.552 20 0 FHADHO CCCN(Cc1ccc(OCc2csc(C)n2)cc1)C1CC[NH2+]CC1 ZINC000435378076 943367489 /nfs/dbraw/zinc/36/74/89/943367489.db2.gz GZABUIOWTPEPNS-UHFFFAOYSA-N 1 3 359.539 3.995 20 0 FHADHO CCC[N@H+](Cc1ccc(OCc2csc(C)n2)cc1)C1CCNCC1 ZINC000435378076 943367495 /nfs/dbraw/zinc/36/74/95/943367495.db2.gz GZABUIOWTPEPNS-UHFFFAOYSA-N 1 3 359.539 3.995 20 0 FHADHO CCC[N@@H+](Cc1ccc(OCc2csc(C)n2)cc1)C1CCNCC1 ZINC000435378076 943367502 /nfs/dbraw/zinc/36/75/02/943367502.db2.gz GZABUIOWTPEPNS-UHFFFAOYSA-N 1 3 359.539 3.995 20 0 FHADHO C[C@H](NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1)[C@H]1CCCC[NH2+]1 ZINC000423022899 943369433 /nfs/dbraw/zinc/36/94/33/943369433.db2.gz IMYLTRKAPRGFRW-LLBUTXAOSA-N 1 3 353.913 3.592 20 0 FHADHO C[C@H]([NH2+]C[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1)[C@H]1CCCCN1 ZINC000423022899 943369439 /nfs/dbraw/zinc/36/94/39/943369439.db2.gz IMYLTRKAPRGFRW-LLBUTXAOSA-N 1 3 353.913 3.592 20 0 FHADHO Fc1cc(N2CC[C@H](N[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)C2)ccc1Cl ZINC000423028235 943370947 /nfs/dbraw/zinc/37/09/47/943370947.db2.gz SJWGINZVPYQZMZ-LLBUTXAOSA-N 1 3 351.897 3.568 20 0 FHADHO COc1ccc([C@@H](C)CN(Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435394158 943380969 /nfs/dbraw/zinc/38/09/69/943380969.db2.gz MOCKYLLLRYTNKV-RXVVDRJESA-N 1 3 353.510 3.838 20 0 FHADHO Clc1ccc(N2CCC[C@@H](NC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c(Cl)c1 ZINC000423072242 943382049 /nfs/dbraw/zinc/38/20/49/943382049.db2.gz PMGBWYCCQCTYHC-IUOOZAAYSA-N 1 3 354.325 3.835 20 0 FHADHO Clc1ccc(N2CCC[C@H](NC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c(Cl)c1 ZINC000423072243 943382185 /nfs/dbraw/zinc/38/21/85/943382185.db2.gz PMGBWYCCQCTYHC-QGPPMGRFSA-N 1 3 354.325 3.835 20 0 FHADHO COC[C@H](CCC[NH3+])N[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21 ZINC000423051385 943383715 /nfs/dbraw/zinc/38/37/15/943383715.db2.gz NZBKFTRIOVITLO-HOTGVXAUSA-N 1 3 363.502 3.670 20 0 FHADHO C[C@@H](CCCC[NH3+])NCc1ccc(Cl)cc1I ZINC000423083798 943387953 /nfs/dbraw/zinc/38/79/53/943387953.db2.gz HAKJOHGOMHXYMV-JTQLQIEISA-N 1 3 366.674 3.552 20 0 FHADHO CSCc1ccc(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000423100476 943393735 /nfs/dbraw/zinc/39/37/35/943393735.db2.gz BTWXHLLROSYVMU-TZIWHRDSSA-N 1 3 354.519 3.895 20 0 FHADHO C[C@H](N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[C@H]1OCCc2sccc21 ZINC000423125063 943398307 /nfs/dbraw/zinc/39/83/07/943398307.db2.gz HHEBHYNCYLSWDH-XVSRIUFKSA-N 1 3 370.518 3.596 20 0 FHADHO C[C@H](N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)[C@@H]1OCCc2sccc21 ZINC000423125061 943398713 /nfs/dbraw/zinc/39/87/13/943398713.db2.gz HHEBHYNCYLSWDH-QUUBWDHISA-N 1 3 370.518 3.596 20 0 FHADHO CN(CCC(F)(F)F)[C@H](C[NH2+][C@@H]1CCC[C@@H]1N)c1ccc(Cl)cc1 ZINC000423106758 943403009 /nfs/dbraw/zinc/40/30/09/943403009.db2.gz PDCKHEMEHSIGEP-ARFHVFGLSA-N 1 3 363.855 3.735 20 0 FHADHO CCc1nc2cc(CN[C@@H](C)c3ccc(C[NH3+])nc3C)ccc2n1C1CC1 ZINC000423109494 943403665 /nfs/dbraw/zinc/40/36/65/943403665.db2.gz HHLZKCIFICXSFX-AWEZNQCLSA-N 1 3 363.509 3.947 20 0 FHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C/C=C/c1ccc(Br)cc1 ZINC000423153497 943411041 /nfs/dbraw/zinc/41/10/41/943411041.db2.gz GTGGXFWURCXKMR-OOPCZODUSA-N 1 3 360.299 3.975 20 0 FHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000423132797 943413819 /nfs/dbraw/zinc/41/38/19/943413819.db2.gz UWKOICLUKSRARL-KSFYIVLOSA-N 1 3 370.541 3.589 20 0 FHADHO CSc1ccc([C@H](CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)N(C)C)cc1 ZINC000423143895 943419258 /nfs/dbraw/zinc/41/92/58/943419258.db2.gz FJZQEBIXXUZZLP-MHTWAQMVSA-N 1 3 361.599 3.912 20 0 FHADHO CC[NH+](CC)Cc1ccc(C(=O)N2CCN(C3CCCCC3)CC2)cc1 ZINC000513801865 943441463 /nfs/dbraw/zinc/44/14/63/943441463.db2.gz DJJPYBNAMDEXLA-UHFFFAOYSA-N 1 3 357.542 3.619 20 0 FHADHO C[NH2+]C[C@@H](C)CN[C@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000423266552 943456233 /nfs/dbraw/zinc/45/62/33/943456233.db2.gz DHUPPXPNYAJWMX-GHMZBOCLSA-N 1 3 365.827 3.521 20 0 FHADHO CCN(CC(=O)Nc1c(Cl)cccc1Cl)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414736209 943485788 /nfs/dbraw/zinc/48/57/88/943485788.db2.gz MUHSBEHYAJCHTJ-CHWSQXEVSA-N 1 3 358.313 3.642 20 0 FHADHO CCN1CC[C@H]([NH2+]C[C@H](c2c(F)cccc2Cl)N2CCCC2)[C@H](C)C1 ZINC000469214860 943494884 /nfs/dbraw/zinc/49/48/84/943494884.db2.gz RPPRILLNPSTJDI-AYOQOUSVSA-N 1 3 367.940 3.936 20 0 FHADHO C[C@@H]1C[NH2+]CC[C@H]1N[C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000423394962 943500771 /nfs/dbraw/zinc/50/07/71/943500771.db2.gz NASGKMPQCBLTOX-XWIAVFTESA-N 1 3 367.331 3.504 20 0 FHADHO C[C@@H]1CNCC[C@H]1[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000423394962 943500775 /nfs/dbraw/zinc/50/07/75/943500775.db2.gz NASGKMPQCBLTOX-XWIAVFTESA-N 1 3 367.331 3.504 20 0 FHADHO C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000423403847 943507586 /nfs/dbraw/zinc/50/75/86/943507586.db2.gz SGKOSHGWGZIODC-XQAQDONZSA-N 1 3 362.315 3.895 20 0 FHADHO CN(CCC(=O)Nc1ccccc1-c1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000435624174 943526363 /nfs/dbraw/zinc/52/63/63/943526363.db2.gz WVNWPFJFGPLASW-IBGZPJMESA-N 1 3 351.494 3.756 20 0 FHADHO Cc1cccc(NC(=O)C[C@H](C)[NH2+]CC2(N)C3CC4CC(C3)CC2C4)c1C ZINC000423528967 943537813 /nfs/dbraw/zinc/53/78/13/943537813.db2.gz PJSFXBKLQABBHW-YJQWLVMKSA-N 1 3 369.553 3.764 20 0 FHADHO COc1ccc([C@H](C)[C@@H](C)[NH2+][C@@H]2CNC[C@H]2c2ccccc2)cc1OC ZINC000423532732 943540117 /nfs/dbraw/zinc/54/01/17/943540117.db2.gz RSUYMBTWJBOQFH-YAJHFMINSA-N 1 3 354.494 3.541 20 0 FHADHO C[C@@H](N[C@H](CCC[NH3+])c1ccccc1)c1cccc(N2CCCC2=O)c1 ZINC000423512043 943542091 /nfs/dbraw/zinc/54/20/91/943542091.db2.gz UIBHCKMSJWWVIG-DYESRHJHSA-N 1 3 351.494 3.944 20 0 FHADHO CC[C@H](NCC1([NH3+])CCN(Cc2ccccc2)CC1)c1cc(F)ccc1F ZINC000423579905 943563129 /nfs/dbraw/zinc/56/31/29/943563129.db2.gz WVTKWCSSRHMHMF-NRFANRHFSA-N 1 3 373.491 3.999 20 0 FHADHO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)c1cccc(CN2CCCC2)c1 ZINC000437842455 944157522 /nfs/dbraw/zinc/15/75/22/944157522.db2.gz LGFLPVKBFLEDJG-QFIPXVFZSA-N 1 3 369.553 3.809 20 0 FHADHO O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)c1cccc(CN2CCCC2)c1 ZINC000437842455 944157526 /nfs/dbraw/zinc/15/75/26/944157526.db2.gz LGFLPVKBFLEDJG-QFIPXVFZSA-N 1 3 369.553 3.809 20 0 FHADHO CCCN1CCN(c2ccccc2CNc2ccc(C[NH2+]C)cc2)CC1 ZINC000414981189 944333926 /nfs/dbraw/zinc/33/39/26/944333926.db2.gz XJXQAQNZOSUDIL-UHFFFAOYSA-N 1 3 352.526 3.550 20 0 FHADHO CC(C)N1CCN(C2CC[NH+]([C@H]3CC[C@](C)(c4ccccc4)C3)CC2)CC1 ZINC000438108195 944346203 /nfs/dbraw/zinc/34/62/03/944346203.db2.gz XZRWKZXGROVBGO-ZEQRLZLVSA-N 1 3 369.597 3.987 20 0 FHADHO C[C@@H]1CCCC[N@@H+]1CCCNc1nc(N2CCOCC2)cc2ccccc21 ZINC001167752259 944354513 /nfs/dbraw/zinc/35/45/13/944354513.db2.gz SSAWGBDOLOJFQI-GOSISDBHSA-N 1 3 368.525 3.748 20 0 FHADHO C[C@@H]1CCCC[N@H+]1CCCNc1nc(N2CCOCC2)cc2ccccc21 ZINC001167752259 944354519 /nfs/dbraw/zinc/35/45/19/944354519.db2.gz SSAWGBDOLOJFQI-GOSISDBHSA-N 1 3 368.525 3.748 20 0 FHADHO CC(C)c1nnc(CCN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000426301100 944413002 /nfs/dbraw/zinc/41/30/02/944413002.db2.gz LLSRIXJEMMBNNH-FUHWJXTLSA-N 1 3 358.555 3.704 20 0 FHADHO CC(C)c1nnc(CCN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000426301100 944413009 /nfs/dbraw/zinc/41/30/09/944413009.db2.gz LLSRIXJEMMBNNH-FUHWJXTLSA-N 1 3 358.555 3.704 20 0 FHADHO Cc1ccc(NC(=O)C[C@@H](C)NC[C@H]2CC[N@@H+](C(C)C)C2)c(Cl)c1 ZINC000516118025 944501869 /nfs/dbraw/zinc/50/18/69/944501869.db2.gz QSBJXNOJTQTLAH-HZPDHXFCSA-N 1 3 351.922 3.685 20 0 FHADHO Cc1ccc(NC(=O)C[C@@H](C)NC[C@H]2CC[N@H+](C(C)C)C2)c(Cl)c1 ZINC000516118025 944501871 /nfs/dbraw/zinc/50/18/71/944501871.db2.gz QSBJXNOJTQTLAH-HZPDHXFCSA-N 1 3 351.922 3.685 20 0 FHADHO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCN(C(C)C)C2)c(Cl)c1 ZINC000516118025 944501872 /nfs/dbraw/zinc/50/18/72/944501872.db2.gz QSBJXNOJTQTLAH-HZPDHXFCSA-N 1 3 351.922 3.685 20 0 FHADHO COc1ccc(CC[C@H](C)[NH2+]C2CCN(CC3CCCC3)CC2)cc1O ZINC000426350639 944526814 /nfs/dbraw/zinc/52/68/14/944526814.db2.gz GGSALQMBIBDMGN-KRWDZBQOSA-N 1 3 360.542 3.966 20 0 FHADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@]2(CC)OCCc3ccccc32)[C@@H](C)C1 ZINC000516219327 944582155 /nfs/dbraw/zinc/58/21/55/944582155.db2.gz ZZQGZPNPUOSFCE-AJSBUHFISA-N 1 3 374.569 3.591 20 0 FHADHO CCOCCC[N@H+]1CC[C@H](NC[C@@]2(CC)OCCc3ccccc32)[C@@H](C)C1 ZINC000516219327 944582158 /nfs/dbraw/zinc/58/21/58/944582158.db2.gz ZZQGZPNPUOSFCE-AJSBUHFISA-N 1 3 374.569 3.591 20 0 FHADHO C[C@H](NCCC[N@H+](C)Cc1ccccc1)c1ccc(N2CCOC2=O)cc1 ZINC000162742505 944722762 /nfs/dbraw/zinc/72/27/62/944722762.db2.gz JJXYFBSGLBWNJK-SFHVURJKSA-N 1 3 367.493 3.816 20 0 FHADHO C[C@H](NCCC[N@@H+](C)Cc1ccccc1)c1ccc(N2CCOC2=O)cc1 ZINC000162742505 944722768 /nfs/dbraw/zinc/72/27/68/944722768.db2.gz JJXYFBSGLBWNJK-SFHVURJKSA-N 1 3 367.493 3.816 20 0 FHADHO CC(C)[C@H](C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)N1CCCCC1 ZINC000518806889 944788006 /nfs/dbraw/zinc/78/80/06/944788006.db2.gz YISFRAFNQODZHF-AZUAARDMSA-N 1 3 359.558 3.743 20 0 FHADHO C[C@H]1CCC[N@H+](CCCCNC(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000516397473 944794453 /nfs/dbraw/zinc/79/44/53/944794453.db2.gz BDGJLUNZNXXHNW-IBGZPJMESA-N 1 3 357.542 3.524 20 0 FHADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000516397473 944794459 /nfs/dbraw/zinc/79/44/59/944794459.db2.gz BDGJLUNZNXXHNW-IBGZPJMESA-N 1 3 357.542 3.524 20 0 FHADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@H]2Cc3ccccc3N(C)C2)CC1 ZINC000437084528 945001052 /nfs/dbraw/zinc/00/10/52/945001052.db2.gz BJOSOXYOPHMUGI-KNKQGSTJSA-N 1 3 355.570 3.928 20 0 FHADHO CCOc1cc2nccc(N3CC[C@H](C[NH+]4CCCC4)C3)c2cc1OCC ZINC000549524626 945610324 /nfs/dbraw/zinc/61/03/24/945610324.db2.gz LREOGCHGQZSBQN-QGZVFWFLSA-N 1 3 369.509 3.954 20 0 FHADHO C[C@H](NC1CC[NH+](CC(C)(C)O)CC1)c1ccc(-c2cccnc2)cc1 ZINC000638728293 945699781 /nfs/dbraw/zinc/69/97/81/945699781.db2.gz MKXJPTUKTKTFTC-KRWDZBQOSA-N 1 3 353.510 3.635 20 0 FHADHO C[C@@H]1C[C@@H]([NH2+]Cc2cc(C(F)(F)F)n[nH]2)CCN1Cc1ccccc1 ZINC000440614179 945709699 /nfs/dbraw/zinc/70/96/99/945709699.db2.gz MRMRKSZSFJIETF-HIFRSBDPSA-N 1 3 352.404 3.571 20 0 FHADHO C[C@H]1C[C@H]([NH2+]Cc2cc(C(F)(F)F)n[nH]2)CCN1Cc1ccccc1 ZINC000440614175 945710451 /nfs/dbraw/zinc/71/04/51/945710451.db2.gz MRMRKSZSFJIETF-DZGCQCFKSA-N 1 3 352.404 3.571 20 0 FHADHO Clc1ccc(CN2CCC3(CCC[N@H+](Cc4cn[nH]c4)C3)CC2)cc1 ZINC001279144161 945911292 /nfs/dbraw/zinc/91/12/92/945911292.db2.gz ANKKLRFWEYBUPZ-UHFFFAOYSA-N 1 3 358.917 3.941 20 0 FHADHO Clc1ccc(CN2CCC3(CCC[N@@H+](Cc4cn[nH]c4)C3)CC2)cc1 ZINC001279144161 945911298 /nfs/dbraw/zinc/91/12/98/945911298.db2.gz ANKKLRFWEYBUPZ-UHFFFAOYSA-N 1 3 358.917 3.941 20 0 FHADHO CCOc1cc2nccc(N3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)c2cc1OCC ZINC000301700505 945922970 /nfs/dbraw/zinc/92/29/70/945922970.db2.gz FLBHWXAFKCYAEN-LPHOPBHVSA-N 1 3 369.509 3.953 20 0 FHADHO CCOc1cc2nccc(N3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)c2cc1OCC ZINC000301700505 945922976 /nfs/dbraw/zinc/92/29/76/945922976.db2.gz FLBHWXAFKCYAEN-LPHOPBHVSA-N 1 3 369.509 3.953 20 0 FHADHO C[C@H]([C@H](C)Nc1cc[nH+]c2cc(C(F)(F)F)ccc12)N1CCOCC1 ZINC000301802764 945973754 /nfs/dbraw/zinc/97/37/54/945973754.db2.gz UCNJWDOGNBCLNP-QWHCGFSZSA-N 1 3 353.388 3.775 20 0 FHADHO CCCN1CCC[C@H]1C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000522860640 946009093 /nfs/dbraw/zinc/00/90/93/946009093.db2.gz JAKXTSIMXAIHSO-QFIPXVFZSA-N 1 3 371.569 3.942 20 0 FHADHO CCCN1CCC[C@H]1C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000522860640 946009096 /nfs/dbraw/zinc/00/90/96/946009096.db2.gz JAKXTSIMXAIHSO-QFIPXVFZSA-N 1 3 371.569 3.942 20 0 FHADHO CN1CCCC[C@H]1CC[N@H+](C)CCC(=O)Nc1cccc2ccccc21 ZINC000444173260 946020162 /nfs/dbraw/zinc/02/01/62/946020162.db2.gz UFIALAXIZXAHOS-IBGZPJMESA-N 1 3 353.510 3.975 20 0 FHADHO CN1CCCC[C@H]1CC[N@@H+](C)CCC(=O)Nc1cccc2ccccc21 ZINC000444173260 946020171 /nfs/dbraw/zinc/02/01/71/946020171.db2.gz UFIALAXIZXAHOS-IBGZPJMESA-N 1 3 353.510 3.975 20 0 FHADHO CC[C@H](NCC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1cccc(Cl)c1 ZINC000475132639 946468673 /nfs/dbraw/zinc/46/86/73/946468673.db2.gz AQFUZMQOZBPUHM-PMACEKPBSA-N 1 3 373.928 3.800 20 0 FHADHO CCN1CC[C@@H]([N@H+](C)Cc2ccc(OCc3ccncc3)cc2)C[C@H]1C ZINC000531381859 946539866 /nfs/dbraw/zinc/53/98/66/946539866.db2.gz OBZKPBHZMZNSCO-WIYYLYMNSA-N 1 3 353.510 3.965 20 0 FHADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(OCc3ccncc3)cc2)C[C@H]1C ZINC000531381859 946539875 /nfs/dbraw/zinc/53/98/75/946539875.db2.gz OBZKPBHZMZNSCO-WIYYLYMNSA-N 1 3 353.510 3.965 20 0 FHADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)C[C@H](N)c3ccccc3)cc2)C1 ZINC000119453047 946784563 /nfs/dbraw/zinc/78/45/63/946784563.db2.gz OCJUIOKLHPWDCR-GCJKJVERSA-N 1 3 365.521 3.625 20 0 FHADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C[C@H](N)c3ccccc3)cc2)C1 ZINC000119453047 946784569 /nfs/dbraw/zinc/78/45/69/946784569.db2.gz OCJUIOKLHPWDCR-GCJKJVERSA-N 1 3 365.521 3.625 20 0 FHADHO CCCC[N@H+](C)CC1CCN(C(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000112918670 946816425 /nfs/dbraw/zinc/81/64/25/946816425.db2.gz FKCRQFDSYSIYAI-UHFFFAOYSA-N 1 3 371.569 3.867 20 0 FHADHO CCCC[N@@H+](C)CC1CCN(C(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000112918670 946816435 /nfs/dbraw/zinc/81/64/35/946816435.db2.gz FKCRQFDSYSIYAI-UHFFFAOYSA-N 1 3 371.569 3.867 20 0 FHADHO Fc1ccc(-n2nccc2C[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000475283866 946822604 /nfs/dbraw/zinc/82/26/04/946822604.db2.gz XDCYLDVAKPHENP-LJQANCHMSA-N 1 3 364.468 3.623 20 0 FHADHO CC[NH+](CC)CCCC1CCN(CC(=O)N2[C@H](C)CCC[C@H]2C)CC1 ZINC000543875283 946976017 /nfs/dbraw/zinc/97/60/17/946976017.db2.gz RODQLPHNPKJTFD-RTBURBONSA-N 1 3 351.579 3.610 20 0 FHADHO CC[N@H+](Cc1ccc(C(=O)NCCN2CCCC(C)(C)C2)cc1)C1CC1 ZINC000444626687 947057662 /nfs/dbraw/zinc/05/76/62/947057662.db2.gz AVHYDLACEKLDBK-UHFFFAOYSA-N 1 3 357.542 3.523 20 0 FHADHO CC[N@@H+](Cc1ccc(C(=O)NCCN2CCCC(C)(C)C2)cc1)C1CC1 ZINC000444626687 947057672 /nfs/dbraw/zinc/05/76/72/947057672.db2.gz AVHYDLACEKLDBK-UHFFFAOYSA-N 1 3 357.542 3.523 20 0 FHADHO c1ccc(CN2CC[C@H](C[NH2+]C3CCN(Cc4ccccc4)CC3)C2)cc1 ZINC000192929865 947108583 /nfs/dbraw/zinc/10/85/83/947108583.db2.gz NHKBFHBOFOSMBV-HSZRJFAPSA-N 1 3 363.549 3.763 20 0 FHADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)[C@@H]1C ZINC000583469776 947402238 /nfs/dbraw/zinc/40/22/38/947402238.db2.gz DLMKFZUHARBFBK-GBAJDQEWSA-N 1 3 372.553 3.856 20 0 FHADHO CC1(C)CN(CCOCC(F)F)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000663218717 947447062 /nfs/dbraw/zinc/44/70/62/947447062.db2.gz WIORYVWDRBSUMF-FQEVSTJZSA-N 1 3 366.496 3.891 20 0 FHADHO CC[NH+](CC)Cc1ccc(NC(=O)CC2(N3CCOCC3)CCCC2)cc1 ZINC000188360243 947553114 /nfs/dbraw/zinc/55/31/14/947553114.db2.gz IBXWBINIKQOQRI-UHFFFAOYSA-N 1 3 373.541 3.502 20 0 FHADHO O=C(c1ccc(F)cc1)[C@H]1CCCN(Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662256641 947675284 /nfs/dbraw/zinc/67/52/84/947675284.db2.gz MOKORSSJZSTFFN-IBGZPJMESA-N 1 3 352.453 3.566 20 0 FHADHO Cc1cc(C)c(NC(=O)[C@H](C)N2CCC[C@H](C3CC[NH2+]CC3)C2)c(C)c1 ZINC000662295796 947722696 /nfs/dbraw/zinc/72/26/96/947722696.db2.gz UMPUJROHPVGDMA-ICSRJNTNSA-N 1 3 357.542 3.650 20 0 FHADHO Cc1nc2ccccc2n1CCCCCN1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662321756 947749494 /nfs/dbraw/zinc/74/94/94/947749494.db2.gz DAWPYLODMHIMJM-FQEVSTJZSA-N 1 3 372.557 3.558 20 0 FHADHO CC[C@@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1ccc(OC(F)(F)F)cc1 ZINC000925778210 948076473 /nfs/dbraw/zinc/07/64/73/948076473.db2.gz SACAILLXKLIKKA-GXTWGEPZSA-N 1 3 352.347 3.871 20 0 FHADHO CC[NH+](CC)CCC[C@H](C)N1CCO[C@]2(CCCN(c3ccccc3)C2)C1 ZINC001167821589 948079851 /nfs/dbraw/zinc/07/98/51/948079851.db2.gz DWCPVVOIBQMVEK-JTHBVZDNSA-N 1 3 373.585 3.868 20 0 FHADHO C[C@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1ccc(SCC(F)F)cc1 ZINC000925780546 948092390 /nfs/dbraw/zinc/09/23/90/948092390.db2.gz FTQDMDKWIXCOJY-AAEUAGOBSA-N 1 3 350.425 3.939 20 0 FHADHO CN(Cc1ccco1)Cc1ccccc1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166694850 948335675 /nfs/dbraw/zinc/33/56/75/948335675.db2.gz MKFNHFWRIZEUSZ-LEWJYISDSA-N 1 3 353.510 3.628 20 0 FHADHO CN(Cc1ccco1)Cc1ccccc1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166694850 948335685 /nfs/dbraw/zinc/33/56/85/948335685.db2.gz MKFNHFWRIZEUSZ-LEWJYISDSA-N 1 3 353.510 3.628 20 0 FHADHO C[C@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1cccc(-c2ccncc2)c1 ZINC000432410923 948356795 /nfs/dbraw/zinc/35/67/95/948356795.db2.gz SYEGPEIYXLVLEH-OALUTQOASA-N 1 3 353.510 3.900 20 0 FHADHO C[C@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1cccc(-c2ccncc2)c1 ZINC000432410923 948356803 /nfs/dbraw/zinc/35/68/03/948356803.db2.gz SYEGPEIYXLVLEH-OALUTQOASA-N 1 3 353.510 3.900 20 0 FHADHO COc1ccc2c(c1)[C@@H](NCCC[N@@H+]1CCCO[C@H](C)C1)CCCS2 ZINC000432419201 948374207 /nfs/dbraw/zinc/37/42/07/948374207.db2.gz ZWEPRAYLXHUVBH-APWZRJJASA-N 1 3 364.555 3.713 20 0 FHADHO COc1ccc2c(c1)[C@@H](NCCC[N@H+]1CCCO[C@H](C)C1)CCCS2 ZINC000432419201 948374214 /nfs/dbraw/zinc/37/42/14/948374214.db2.gz ZWEPRAYLXHUVBH-APWZRJJASA-N 1 3 364.555 3.713 20 0 FHADHO C[C@@H]1C[N@H+](CCCN[C@@H]2CCc3cc(Br)ccc32)CCCO1 ZINC000432422055 948384532 /nfs/dbraw/zinc/38/45/32/948384532.db2.gz CFXFAZBMILDJQA-RDTXWAMCSA-N 1 3 367.331 3.527 20 0 FHADHO C[C@@H]1C[N@@H+](CCCN[C@@H]2CCc3cc(Br)ccc32)CCCO1 ZINC000432422055 948384539 /nfs/dbraw/zinc/38/45/39/948384539.db2.gz CFXFAZBMILDJQA-RDTXWAMCSA-N 1 3 367.331 3.527 20 0 FHADHO C[C@@H]1C[N@@H+](CC2CCN(Cc3ccc4ccccc4n3)CC2)C[C@H](C)O1 ZINC000512187359 948737225 /nfs/dbraw/zinc/73/72/25/948737225.db2.gz QAMYUMJAUGAYFN-HDICACEKSA-N 1 3 353.510 3.556 20 0 FHADHO C[C@@H]1C[N@H+](CC2CCN(Cc3ccc4ccccc4n3)CC2)C[C@H](C)O1 ZINC000512187359 948737229 /nfs/dbraw/zinc/73/72/29/948737229.db2.gz QAMYUMJAUGAYFN-HDICACEKSA-N 1 3 353.510 3.556 20 0 FHADHO CC(=O)Nc1ccccc1C[NH2+]C[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000311887058 568178025 /nfs/dbraw/zinc/17/80/25/568178025.db2.gz COQZWCCHRIDGDO-QFIPXVFZSA-N 1 3 351.494 3.647 20 0 FHADHO CN1[C@@H]2CC[C@H]1CC([NH2+]C[C@H]1CCCN(C)[C@H]1c1cccc(Cl)c1)C2 ZINC000365226328 568338939 /nfs/dbraw/zinc/33/89/39/568338939.db2.gz ZWGPUQVFNDFHRA-FWZVCBSNSA-N 1 3 361.961 3.938 20 0 FHADHO N[C@H](CC(=O)NCc1ccccc1C[NH+]1CCCCCC1)c1ccccc1 ZINC000237860718 936312260 /nfs/dbraw/zinc/31/22/60/936312260.db2.gz GIKPFFKGNSUJGQ-JOCHJYFZSA-N 1 3 365.521 3.769 20 0 FHADHO C[C@H](C[NH2+]C1CCN(CCc2ccc(F)cc2)CC1)N1CCC(C)CC1 ZINC000119028035 927744932 /nfs/dbraw/zinc/74/49/32/927744932.db2.gz KFMQSMYWXXCDNY-LJQANCHMSA-N 1 3 361.549 3.543 20 0 FHADHO C[C@@H](C[NH2+]C1CCN(CCc2ccc(F)cc2)CC1)N1CCC(C)CC1 ZINC000119027926 927744995 /nfs/dbraw/zinc/74/49/95/927744995.db2.gz KFMQSMYWXXCDNY-IBGZPJMESA-N 1 3 361.549 3.543 20 0 FHADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@](C)(c3ccccc3)CC2)CC1 ZINC000510078997 927797101 /nfs/dbraw/zinc/79/71/01/927797101.db2.gz NNOZEIINWGZDDW-QHCPKHFHSA-N 1 3 357.586 3.846 20 0 FHADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@](C)(c3ccccc3)CC2)CC1 ZINC000510078997 927797103 /nfs/dbraw/zinc/79/71/03/927797103.db2.gz NNOZEIINWGZDDW-QHCPKHFHSA-N 1 3 357.586 3.846 20 0 FHADHO CN(c1ccccc1CN1CCC[C@@H]1c1cccn1C)C1CC[NH+](C)CC1 ZINC000179707520 928936310 /nfs/dbraw/zinc/93/63/10/928936310.db2.gz FOQMWZRABRIJBE-HSZRJFAPSA-N 1 3 366.553 3.893 20 0 FHADHO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)CC3 ZINC000180312888 929457984 /nfs/dbraw/zinc/45/79/84/929457984.db2.gz CZARLMXHHUYSHE-GUDVDZBRSA-N 1 3 369.553 3.813 20 0 FHADHO CC(C)N1CCN(C2CC[NH+](CCCCCOc3ccccc3)CC2)CC1 ZINC000275648027 929700481 /nfs/dbraw/zinc/70/04/81/929700481.db2.gz CEFUZVFHBHPBIX-UHFFFAOYSA-N 1 3 373.585 3.726 20 0 FHADHO C[C@H]1CCCC[C@H]1[NH+]1CCC(N[C@@H]2CCO[C@H](c3ccncc3)C2)CC1 ZINC000651966310 929725150 /nfs/dbraw/zinc/72/51/50/929725150.db2.gz CGQJGOFATHOCLU-UPZYVNNASA-N 1 3 357.542 3.934 20 0 FHADHO Cc1ccccc1[C@@H](C)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC001167337292 929988988 /nfs/dbraw/zinc/98/89/88/929988988.db2.gz MFGAPEOFLDGBMM-OAQYLSRUSA-N 1 3 351.538 3.806 20 0 FHADHO Cc1ccccc1[C@@H](C)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC001167337292 929988990 /nfs/dbraw/zinc/98/89/90/929988990.db2.gz MFGAPEOFLDGBMM-OAQYLSRUSA-N 1 3 351.538 3.806 20 0 FHADHO CC[N@H+](C)C[C@H](O)CN1CC[C@@H](c2ccccc2)[C@H]1c1cccc(OC)c1 ZINC000580325553 930505441 /nfs/dbraw/zinc/50/54/41/930505441.db2.gz QXWOGOGALNHBQA-ACIOBRDBSA-N 1 3 368.521 3.538 20 0 FHADHO CC[N@@H+](C)C[C@H](O)CN1CC[C@@H](c2ccccc2)[C@H]1c1cccc(OC)c1 ZINC000580325553 930505445 /nfs/dbraw/zinc/50/54/45/930505445.db2.gz QXWOGOGALNHBQA-ACIOBRDBSA-N 1 3 368.521 3.538 20 0 FHADHO C[C@@H]1CN(CCCC[NH2+]Cc2cscc2C(F)(F)F)C[C@@H](C)O1 ZINC000583410511 937424380 /nfs/dbraw/zinc/42/43/80/937424380.db2.gz RANKRAODTAOAMG-CHWSQXEVSA-N 1 3 350.450 3.746 20 0 FHADHO C[C@H](NCc1ccc(-n2cccn2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000312994003 931234948 /nfs/dbraw/zinc/23/49/48/931234948.db2.gz MONGDEBTTKTVFE-UGKGYDQZSA-N 1 3 360.505 3.873 20 0 FHADHO C[C@H](NCc1ccc(-n2cccn2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000312994003 931234957 /nfs/dbraw/zinc/23/49/57/931234957.db2.gz MONGDEBTTKTVFE-UGKGYDQZSA-N 1 3 360.505 3.873 20 0 FHADHO C[C@H]([NH2+]Cc1ccc(-n2cccn2)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000312994003 931234962 /nfs/dbraw/zinc/23/49/62/931234962.db2.gz MONGDEBTTKTVFE-UGKGYDQZSA-N 1 3 360.505 3.873 20 0 FHADHO C[C@@H]1CN(CCCC[NH2+]Cc2cccc(-c3ccccn3)c2)C[C@H](C)O1 ZINC000127358417 931323597 /nfs/dbraw/zinc/32/35/97/931323597.db2.gz YNTLSXUGAGUSFH-KDURUIRLSA-N 1 3 353.510 3.728 20 0 FHADHO C[C@H](N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(-n2cccn2)cc1 ZINC000581542506 932230702 /nfs/dbraw/zinc/23/07/02/932230702.db2.gz CWGRTDSHPWQICR-HYVJGQCMSA-N 1 3 374.488 3.779 20 0 FHADHO CCOc1cc(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)ccc1OC(F)F ZINC000656783980 932419885 /nfs/dbraw/zinc/41/98/85/932419885.db2.gz BTVVCCMBZSJLGC-QGZVFWFLSA-N 1 3 368.468 3.898 20 0 FHADHO CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC[C@H]2CCOc3ccccc32)cc1 ZINC000656790468 932427404 /nfs/dbraw/zinc/42/74/04/932427404.db2.gz UPOLSTXJOGQYGK-CBQOVEMMSA-N 1 3 366.505 3.687 20 0 FHADHO CC1CC[NH+](C[C@H](O)CNCC(c2ccccc2)c2ccccc2)CC1 ZINC000510710710 933486533 /nfs/dbraw/zinc/48/65/33/933486533.db2.gz DTQADYFKYMZOSW-JOCHJYFZSA-N 1 3 352.522 3.501 20 0 FHADHO CC(C)C[N@@H+]1CCC[C@H](CNC[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000562994568 933697487 /nfs/dbraw/zinc/69/74/87/933697487.db2.gz CZKCVLOECHXGCO-MJGOQNOKSA-N 1 3 372.475 3.566 20 0 FHADHO CC(C)C[N@H+]1CCC[C@H](CNC[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000562994568 933697493 /nfs/dbraw/zinc/69/74/93/933697493.db2.gz CZKCVLOECHXGCO-MJGOQNOKSA-N 1 3 372.475 3.566 20 0 FHADHO CC(C)C(=O)NC[C@H]1CCCN(CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000092706368 934141168 /nfs/dbraw/zinc/14/11/68/934141168.db2.gz AJQIIXFLJKBVTF-OAQYLSRUSA-N 1 3 373.585 3.629 20 0 FHADHO CC(C)C(=O)NC[C@H]1CCCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000092706368 934141169 /nfs/dbraw/zinc/14/11/69/934141169.db2.gz AJQIIXFLJKBVTF-OAQYLSRUSA-N 1 3 373.585 3.629 20 0 FHADHO Cc1ccc([C@@H](C)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000156963817 934987192 /nfs/dbraw/zinc/98/71/92/934987192.db2.gz WJFVNASEVVZBRU-GCJKJVERSA-N 1 3 365.521 3.543 20 0 FHADHO Cc1ccc([C@@H](C)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000156963817 934987196 /nfs/dbraw/zinc/98/71/96/934987196.db2.gz WJFVNASEVVZBRU-GCJKJVERSA-N 1 3 365.521 3.543 20 0 FHADHO CC(C)[N@H+](C)Cc1cccc(CNCc2ccc(O[C@@H]3CCOC3)cc2)c1 ZINC000657332954 935247491 /nfs/dbraw/zinc/24/74/91/935247491.db2.gz VNKYMFREBNNLFT-HSZRJFAPSA-N 1 3 368.521 3.984 20 0 FHADHO CC(C)[N@@H+](C)Cc1cccc(CNCc2ccc(O[C@@H]3CCOC3)cc2)c1 ZINC000657332954 935247493 /nfs/dbraw/zinc/24/74/93/935247493.db2.gz VNKYMFREBNNLFT-HSZRJFAPSA-N 1 3 368.521 3.984 20 0 FHADHO C[C@H](Cc1ccsc1)[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000544024231 935251595 /nfs/dbraw/zinc/25/15/95/935251595.db2.gz WDWDNZBMYDPXMW-KURKYZTESA-N 1 3 350.572 3.890 20 0 FHADHO CCOc1c(Cl)cc(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1OC ZINC000582268321 935470542 /nfs/dbraw/zinc/47/05/42/935470542.db2.gz IULFWUVCBUXFOZ-QGZVFWFLSA-N 1 3 366.933 3.911 20 0 FHADHO Clc1ccccc1[C@@H](NCC1CC[NH2+]CC1)c1ccc2c(c1)OCCO2 ZINC000582295233 935499623 /nfs/dbraw/zinc/49/96/23/935499623.db2.gz KICSBXSQHKUNCK-NRFANRHFSA-N 1 3 372.896 3.790 20 0 FHADHO C[C@@H]1CN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)[C@@H](C)CN1Cc1ccccc1 ZINC001167985045 945107463 /nfs/dbraw/zinc/10/74/63/945107463.db2.gz TVLPMTNPTXKDLH-DAWJRCITSA-N 1 3 367.581 3.987 20 0 FHADHO C[C@@H]1CN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)[C@@H](C)CN1Cc1ccccc1 ZINC001167985045 945107467 /nfs/dbraw/zinc/10/74/67/945107467.db2.gz TVLPMTNPTXKDLH-DAWJRCITSA-N 1 3 367.581 3.987 20 0 FHADHO Cc1ccc2cc(CNCc3ccccc3C[N@@H+]3CCC[C@H]3CO)[nH]c2c1 ZINC000657430568 935720226 /nfs/dbraw/zinc/72/02/26/935720226.db2.gz RGYRSTYLTPSGID-QFIPXVFZSA-N 1 3 363.505 3.723 20 0 FHADHO Cc1ccc2cc(CNCc3ccccc3C[N@H+]3CCC[C@H]3CO)[nH]c2c1 ZINC000657430568 935720228 /nfs/dbraw/zinc/72/02/28/935720228.db2.gz RGYRSTYLTPSGID-QFIPXVFZSA-N 1 3 363.505 3.723 20 0 FHADHO c1cnc(Oc2ccc(CN3CCC(C[NH+]4CCCC4)CC3)cc2)cn1 ZINC000152689022 935813022 /nfs/dbraw/zinc/81/30/22/935813022.db2.gz DYZDJEVPCASEPC-UHFFFAOYSA-N 1 3 352.482 3.577 20 0 FHADHO CSC1(CNCc2cc(C(F)(F)F)ccc2F)CC[NH+](C)CC1 ZINC000582611141 935870916 /nfs/dbraw/zinc/87/09/16/935870916.db2.gz OLUVSRFALNGTKJ-UHFFFAOYSA-N 1 3 350.425 3.762 20 0 FHADHO CC[NH+](CC)CCCN[C@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000120344596 936214382 /nfs/dbraw/zinc/21/43/82/936214382.db2.gz ACYPTVLIBFLCOX-CQSZACIVSA-N 1 3 359.436 3.744 20 0 FHADHO C[C@H](CN[C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F)C[NH+]1CCCC1 ZINC000120934821 936272896 /nfs/dbraw/zinc/27/28/96/936272896.db2.gz PCTBTDFVLMCGHK-CABCVRRESA-N 1 3 371.447 3.744 20 0 FHADHO C[C@H](C[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F)CN1CCCC1 ZINC000120934821 936272899 /nfs/dbraw/zinc/27/28/99/936272899.db2.gz PCTBTDFVLMCGHK-CABCVRRESA-N 1 3 371.447 3.744 20 0 FHADHO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)C[C@@H](N)c3ccccc3)cc2)C1 ZINC000246371916 938360686 /nfs/dbraw/zinc/36/06/86/938360686.db2.gz OCJUIOKLHPWDCR-PGRDOPGGSA-N 1 3 365.521 3.625 20 0 FHADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C[C@@H](N)c3ccccc3)cc2)C1 ZINC000246371916 938360690 /nfs/dbraw/zinc/36/06/90/938360690.db2.gz OCJUIOKLHPWDCR-PGRDOPGGSA-N 1 3 365.521 3.625 20 0 FHADHO O=C(NCC1([NH+]2CCCCC2)CCCCC1)Nc1ccc2c(c1)CNC2 ZINC000583800916 938416275 /nfs/dbraw/zinc/41/62/75/938416275.db2.gz VNWJCHNREFAQKT-UHFFFAOYSA-N 1 3 356.514 3.600 20 0 FHADHO C[C@H](NCCC[NH+]1CCC(O)CC1)c1ccc(Oc2ccccc2)cc1 ZINC000151373340 938537321 /nfs/dbraw/zinc/53/73/21/938537321.db2.gz NJSWLBRWDQAQNX-SFHVURJKSA-N 1 3 354.494 3.976 20 0 FHADHO CCCC[C@@H](NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)C1CCC1 ZINC000584240453 938652779 /nfs/dbraw/zinc/65/27/79/938652779.db2.gz HYVLOIVKVIDPDC-OAQYLSRUSA-N 1 3 363.590 3.658 20 0 FHADHO CO[C@@H](C[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccccc1 ZINC000584414924 938834248 /nfs/dbraw/zinc/83/42/48/938834248.db2.gz OFAQJPBFXZOXIO-JQVVWYNYSA-N 1 3 360.542 3.585 20 0 FHADHO C[C@@H]1C[C@@H](NCCOc2ncccc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000090408860 938873218 /nfs/dbraw/zinc/87/32/18/938873218.db2.gz NINXDVGHBJOXOQ-AEFFLSMTSA-N 1 3 359.901 3.757 20 0 FHADHO C[C@@H]1C[C@@H](NCCOc2ncccc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000090408860 938873220 /nfs/dbraw/zinc/87/32/20/938873220.db2.gz NINXDVGHBJOXOQ-AEFFLSMTSA-N 1 3 359.901 3.757 20 0 FHADHO COCCOc1ccc([C@@H](C)NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000647343691 938978881 /nfs/dbraw/zinc/97/88/81/938978881.db2.gz AFGMOZAZDSLDFY-AAIMPIBUSA-N 1 3 368.521 3.708 20 0 FHADHO COCCOc1ccc([C@@H](C)NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000647343691 938978883 /nfs/dbraw/zinc/97/88/83/938978883.db2.gz AFGMOZAZDSLDFY-AAIMPIBUSA-N 1 3 368.521 3.708 20 0 FHADHO CN(CCCc1c(F)cccc1Cl)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000685457488 938987937 /nfs/dbraw/zinc/98/79/37/938987937.db2.gz CQMZBQXBRLSAHZ-QGZVFWFLSA-N 1 3 367.940 3.512 20 0 FHADHO CN(CCCc1c(F)cccc1Cl)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000685457488 938987938 /nfs/dbraw/zinc/98/79/38/938987938.db2.gz CQMZBQXBRLSAHZ-QGZVFWFLSA-N 1 3 367.940 3.512 20 0 FHADHO C[C@H](NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cc2ccncc2s1 ZINC000657925462 939007820 /nfs/dbraw/zinc/00/78/20/939007820.db2.gz NVGIBTCUKGELEX-JCGIZDLHSA-N 1 3 359.539 3.715 20 0 FHADHO C[C@H](NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccc(F)c(Cl)c1 ZINC000658141272 939035688 /nfs/dbraw/zinc/03/56/88/939035688.db2.gz SKTBIFSBCSDIKZ-KBXCAEBGSA-N 1 3 362.876 3.897 20 0 FHADHO C[C@H](NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc(F)c(Cl)c1 ZINC000658141272 939035690 /nfs/dbraw/zinc/03/56/90/939035690.db2.gz SKTBIFSBCSDIKZ-KBXCAEBGSA-N 1 3 362.876 3.897 20 0 FHADHO C[C@H](CCCc1cccnc1)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658162166 939051682 /nfs/dbraw/zinc/05/16/82/939051682.db2.gz CBRGIAJKXVGANY-LJQANCHMSA-N 1 3 352.526 3.690 20 0 FHADHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1cc2cnccc2o1 ZINC000658164208 939052505 /nfs/dbraw/zinc/05/25/05/939052505.db2.gz MVBNZAGWKQMXPS-MRXNPFEDSA-N 1 3 350.466 3.786 20 0 FHADHO c1ccc2c(c1)OCCC[C@@H]2[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658165394 939053335 /nfs/dbraw/zinc/05/33/35/939053335.db2.gz JIBKYYAJUILGOU-NRFANRHFSA-N 1 3 351.494 3.797 20 0 FHADHO Fc1cncc([C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C2CC2)c1 ZINC000658166821 939053778 /nfs/dbraw/zinc/05/37/78/939053778.db2.gz PKDZJWPBRVPRHS-NRFANRHFSA-N 1 3 354.473 3.569 20 0 FHADHO COc1ccccc1C[C@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658167224 939054899 /nfs/dbraw/zinc/05/48/99/939054899.db2.gz QTNHNIFLZBOQAZ-SFHVURJKSA-N 1 3 353.510 3.523 20 0 FHADHO Cc1nn(C)cc1[C@H](C)[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000658320049 939110565 /nfs/dbraw/zinc/11/05/65/939110565.db2.gz NAPAWWYTTMROSU-FXAWDEMLSA-N 1 3 352.526 3.681 20 0 FHADHO CC[C@@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2)c1cnn(C)c1 ZINC000658319973 939110788 /nfs/dbraw/zinc/11/07/88/939110788.db2.gz KUAZZBGTDSIHRK-NHCUHLMSSA-N 1 3 352.526 3.763 20 0 FHADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@@H](O)[C@H](C)c2ccccc2)CC1 ZINC000658337913 939115559 /nfs/dbraw/zinc/11/55/59/939115559.db2.gz AUKQLFZDPNVWHZ-YOSAUDMPSA-N 1 3 366.549 3.836 20 0 FHADHO CC[N@H+](CCCN(C)C)Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000628279274 940151750 /nfs/dbraw/zinc/15/17/50/940151750.db2.gz CEPQVSKUZCNVRL-UHFFFAOYSA-N 1 3 371.348 3.674 20 0 FHADHO CC[N@@H+](CCCN(C)C)Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000628279274 940151754 /nfs/dbraw/zinc/15/17/54/940151754.db2.gz CEPQVSKUZCNVRL-UHFFFAOYSA-N 1 3 371.348 3.674 20 0 FHADHO C[C@H]1CN(C(=O)c2cccc(CN3CCCCC3)c2)CC[N@@H+](C2CCC2)C1 ZINC000413837907 940170715 /nfs/dbraw/zinc/17/07/15/940170715.db2.gz RWKSXBLHKDEZSJ-LJQANCHMSA-N 1 3 369.553 3.619 20 0 FHADHO C[C@H]1CN(C(=O)c2cccc(CN3CCCCC3)c2)CC[N@H+](C2CCC2)C1 ZINC000413837907 940170717 /nfs/dbraw/zinc/17/07/17/940170717.db2.gz RWKSXBLHKDEZSJ-LJQANCHMSA-N 1 3 369.553 3.619 20 0 FHADHO CC[C@@H]([NH2+]CCCN1CCC(C)CC1)c1cc(OC)c(OC)c(OC)c1 ZINC000652135134 945312810 /nfs/dbraw/zinc/31/28/10/945312810.db2.gz HLDKDVAXFZJERA-GOSISDBHSA-N 1 3 364.530 3.875 20 0 FHADHO CN(CC[N@H+](C)C1CCN(C)CC1)Cc1cccc(-c2ccccc2)c1 ZINC000515093434 940456071 /nfs/dbraw/zinc/45/60/71/940456071.db2.gz LERQKNZDTNCOBA-UHFFFAOYSA-N 1 3 351.538 3.811 20 0 FHADHO CN(CC[N@@H+](C)C1CCN(C)CC1)Cc1cccc(-c2ccccc2)c1 ZINC000515093434 940456073 /nfs/dbraw/zinc/45/60/73/940456073.db2.gz LERQKNZDTNCOBA-UHFFFAOYSA-N 1 3 351.538 3.811 20 0 FHADHO COc1ccc([C@H](C)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c(C)c1 ZINC000414127751 940638150 /nfs/dbraw/zinc/63/81/50/940638150.db2.gz SOTRRJMLZDJPRN-LEDOBFOHSA-N 1 3 368.521 3.537 20 0 FHADHO COc1ccc([C@H](C)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)c(C)c1 ZINC000414127751 940638151 /nfs/dbraw/zinc/63/81/51/940638151.db2.gz SOTRRJMLZDJPRN-LEDOBFOHSA-N 1 3 368.521 3.537 20 0 FHADHO COc1ccc([C@H](C)[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)c(C)c1 ZINC000414313917 940947478 /nfs/dbraw/zinc/94/74/78/940947478.db2.gz YZOKMTKBVVZSAF-IBGZPJMESA-N 1 3 368.521 3.681 20 0 FHADHO O=C(C[C@H]1NCc2ccccc21)NCc1ccccc1C[NH+]1CCCCC1 ZINC000659274711 941142580 /nfs/dbraw/zinc/14/25/80/941142580.db2.gz QFTKVOLXBULICY-JOCHJYFZSA-N 1 3 363.505 3.523 20 0 FHADHO C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624121021 941255448 /nfs/dbraw/zinc/25/54/48/941255448.db2.gz LTHDDHGSBGDLQD-ZFWWWQNUSA-N 1 3 357.311 3.841 20 0 FHADHO O[C@H](C[NH2+]C[C@@H]1CCCN(Cc2ccccc2)C1)c1c(F)cccc1F ZINC000311498791 941314825 /nfs/dbraw/zinc/31/48/25/941314825.db2.gz LGKZMQKDUOJQHR-FXAWDEMLSA-N 1 3 360.448 3.500 20 0 FHADHO C[C@@H](NCc1ccc(C(C)(C)O)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311503768 941315296 /nfs/dbraw/zinc/31/52/96/941315296.db2.gz FTPKQWWUFBYDCN-WIYYLYMNSA-N 1 3 352.522 3.914 20 0 FHADHO C[C@@H](NCc1ccc(C(C)(C)O)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311503768 941315298 /nfs/dbraw/zinc/31/52/98/941315298.db2.gz FTPKQWWUFBYDCN-WIYYLYMNSA-N 1 3 352.522 3.914 20 0 FHADHO C[C@@H]([NH2+]Cc1ccc(C(C)(C)O)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000311503768 941315301 /nfs/dbraw/zinc/31/53/01/941315301.db2.gz FTPKQWWUFBYDCN-WIYYLYMNSA-N 1 3 352.522 3.914 20 0 FHADHO C[C@@H](CN1CCC[C@@H](C)C1)[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000580232938 941413619 /nfs/dbraw/zinc/41/36/19/941413619.db2.gz DSQQRGQLEUACHY-MOPGFXCFSA-N 1 3 361.549 3.543 20 0 FHADHO CCN1CCN(c2cccc(N[C@@H]3CC[NH2+][C@@H](c4ccccc4)C3)c2)CC1 ZINC000415092456 941601680 /nfs/dbraw/zinc/60/16/80/941601680.db2.gz AQXYOJVCCPGNCD-FYYLOGMGSA-N 1 3 364.537 3.734 20 0 FHADHO CC(C)C[C@H]([NH3+])CNCC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000415093229 941602164 /nfs/dbraw/zinc/60/21/64/941602164.db2.gz UUKAZIUTOXZUAZ-KRWDZBQOSA-N 1 3 358.448 3.717 20 0 FHADHO Cc1cc(CN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c(OC(F)F)cc1C ZINC000415129438 941622689 /nfs/dbraw/zinc/62/26/89/941622689.db2.gz UWZLTAPYMXIQPU-MSOLQXFVSA-N 1 3 368.468 3.623 20 0 FHADHO [NH3+]CC1(O)CCN(Cc2ccccc2Oc2ccc(F)cc2Cl)CC1 ZINC000415135664 941625960 /nfs/dbraw/zinc/62/59/60/941625960.db2.gz BFUONQYFXWDTCV-UHFFFAOYSA-N 1 3 364.848 3.557 20 0 FHADHO COc1cc(CN2CCC(CC[NH3+])CC2)ccc1OCc1ccc(F)cc1 ZINC000576640650 941802768 /nfs/dbraw/zinc/80/27/68/941802768.db2.gz QFURNHPWCMPMJI-UHFFFAOYSA-N 1 3 372.484 3.974 20 0 FHADHO O[C@H](C[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1)c1cccc(F)c1 ZINC000311991129 941938827 /nfs/dbraw/zinc/93/88/27/941938827.db2.gz PZCLUCMDTAMLSS-DENIHFKCSA-N 1 3 356.485 3.751 20 0 FHADHO O=c1[nH]c2ccccc2cc1CN1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377759605 941966176 /nfs/dbraw/zinc/96/61/76/941966176.db2.gz HLWOLCYACFTVAY-IRLDBZIGSA-N 1 3 373.500 3.894 20 0 FHADHO O=c1[nH]c2ccccc2cc1CN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377759605 941966178 /nfs/dbraw/zinc/96/61/78/941966178.db2.gz HLWOLCYACFTVAY-IRLDBZIGSA-N 1 3 373.500 3.894 20 0 FHADHO O=c1[nH]c2ccccc2cc1CN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000377759607 941966616 /nfs/dbraw/zinc/96/66/16/941966616.db2.gz HLWOLCYACFTVAY-UNMCSNQZSA-N 1 3 373.500 3.894 20 0 FHADHO O=c1[nH]c2ccccc2cc1CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000377759607 941966619 /nfs/dbraw/zinc/96/66/19/941966619.db2.gz HLWOLCYACFTVAY-UNMCSNQZSA-N 1 3 373.500 3.894 20 0 FHADHO CC[NH2+]Cc1cccc(NC(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)c1 ZINC000415905901 942134083 /nfs/dbraw/zinc/13/40/83/942134083.db2.gz JDBYDUSHAWTVHZ-LAUBAEHRSA-N 1 3 366.509 3.581 20 0 FHADHO CC[NH2+]Cc1ccccc1NC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000415924391 942152133 /nfs/dbraw/zinc/15/21/33/942152133.db2.gz WKLDZMMIIFDDRJ-OXQOHEQNSA-N 1 3 354.498 3.609 20 0 FHADHO CC[NH2+]Cc1ccccc1NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000415927679 942163782 /nfs/dbraw/zinc/16/37/82/942163782.db2.gz DMMPQGUOPJNWSR-PXNSSMCTSA-N 1 3 366.509 3.581 20 0 FHADHO CC[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000415927678 942164016 /nfs/dbraw/zinc/16/40/16/942164016.db2.gz DMMPQGUOPJNWSR-FXAWDEMLSA-N 1 3 366.509 3.581 20 0 FHADHO Cc1cccc(O[C@H]2CCCC[C@@H]2[NH2+]CCCN2CCN(C(C)C)CC2)c1 ZINC000502008364 942166514 /nfs/dbraw/zinc/16/65/14/942166514.db2.gz OEPXBWJFQBCWNL-GOTSBHOMSA-N 1 3 373.585 3.691 20 0 FHADHO CC[NH2+]Cc1ccccc1NC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000415945952 942178973 /nfs/dbraw/zinc/17/89/73/942178973.db2.gz SGDNNDVQFAWGQU-PXNSSMCTSA-N 1 3 366.509 3.753 20 0 FHADHO c1[nH]nc2c1CC[C@@H]([NH2+][C@H]1CCCC[C@H]3CN(Cc4ccccc4)C[C@H]31)C2 ZINC000513697676 942204450 /nfs/dbraw/zinc/20/44/50/942204450.db2.gz QNEGVVZQRGFQNF-CBPXPLCBSA-N 1 3 364.537 3.547 20 0 FHADHO CC[NH+](CC)CCN(Cc1cccs1)C(=O)Nc1ccc2c(c1)CNC2 ZINC000416011681 942252828 /nfs/dbraw/zinc/25/28/28/942252828.db2.gz QADHMMBUAYLANN-UHFFFAOYSA-N 1 3 372.538 3.727 20 0 FHADHO CO[C@H](CN[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C)c1ccc(Cl)cc1 ZINC000378183668 942370295 /nfs/dbraw/zinc/37/02/95/942370295.db2.gz JKJCOJMRSZMWMZ-HUYLIWGRSA-N 1 3 366.933 3.507 20 0 FHADHO CO[C@H](CN[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C)c1ccc(Cl)cc1 ZINC000378183668 942370300 /nfs/dbraw/zinc/37/03/00/942370300.db2.gz JKJCOJMRSZMWMZ-HUYLIWGRSA-N 1 3 366.933 3.507 20 0 FHADHO CCN1CCN(CCC[NH2+]C/C(C)=C/c2ccccc2C(F)(F)F)CC1 ZINC000501409819 942465319 /nfs/dbraw/zinc/46/53/19/942465319.db2.gz DVZIYNDSBVQYJP-BMRADRMJSA-N 1 3 369.475 3.726 20 0 FHADHO COc1ccc([C@H](C[NH3+])CN2CCC(c3ccc(OC)cc3)CC2)cc1 ZINC000420298467 942609852 /nfs/dbraw/zinc/60/98/52/942609852.db2.gz HEAHAMCDUYPNIY-HXUWFJFHSA-N 1 3 354.494 3.626 20 0 FHADHO Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000420308232 942613919 /nfs/dbraw/zinc/61/39/19/942613919.db2.gz NGUUKIRXRKQBJD-NRFANRHFSA-N 1 3 363.505 3.750 20 0 FHADHO COc1ccc([C@@H](CN)C[N@@H+]2CCC[C@@H](c3nc(C)c(C)s3)C2)cc1 ZINC000420321212 942621324 /nfs/dbraw/zinc/62/13/24/942621324.db2.gz QXUUHBKVUWJTMW-MSOLQXFVSA-N 1 3 359.539 3.690 20 0 FHADHO COc1ccc([C@@H](CN)C[N@H+]2CCC[C@@H](c3nc(C)c(C)s3)C2)cc1 ZINC000420321212 942621327 /nfs/dbraw/zinc/62/13/27/942621327.db2.gz QXUUHBKVUWJTMW-MSOLQXFVSA-N 1 3 359.539 3.690 20 0 FHADHO COc1ccc([C@@H](C[NH3+])CN2CCC[C@@H](c3nc(C)c(C)s3)C2)cc1 ZINC000420321212 942621332 /nfs/dbraw/zinc/62/13/32/942621332.db2.gz QXUUHBKVUWJTMW-MSOLQXFVSA-N 1 3 359.539 3.690 20 0 FHADHO C[C@H](c1nc(-c2ccc(Cl)cc2)no1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420327928 942630306 /nfs/dbraw/zinc/63/03/06/942630306.db2.gz LSWXBKUKPFMAQX-VNQPRFMTSA-N 1 3 360.889 3.773 20 0 FHADHO CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@@H]2CCCCN2C2CC2)cc1 ZINC000434424964 942652452 /nfs/dbraw/zinc/65/24/52/942652452.db2.gz LXFKJAUFUGSFRY-NRFANRHFSA-N 1 3 357.542 3.665 20 0 FHADHO CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@@H]2CCCCN2C2CC2)cc1 ZINC000434424964 942652457 /nfs/dbraw/zinc/65/24/57/942652457.db2.gz LXFKJAUFUGSFRY-NRFANRHFSA-N 1 3 357.542 3.665 20 0 FHADHO CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)N1CCC(CCC[NH+](C)C)CC1 ZINC000501776425 942667703 /nfs/dbraw/zinc/66/77/03/942667703.db2.gz OAUYRKKPVBMLLQ-HXUWFJFHSA-N 1 3 373.585 3.866 20 0 FHADHO CC[NH+](CC)CCOc1ccccc1-c1noc(C23CCCN2CCC3)n1 ZINC000420475903 942677341 /nfs/dbraw/zinc/67/73/41/942677341.db2.gz HTKPWHZDZPNSAH-UHFFFAOYSA-N 1 3 370.497 3.542 20 0 FHADHO CO[C@H](CN[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C)c1cccc(Cl)c1 ZINC000378405659 942732175 /nfs/dbraw/zinc/73/21/75/942732175.db2.gz SAVJAEMZWFJMJR-HUYLIWGRSA-N 1 3 366.933 3.507 20 0 FHADHO CO[C@H](CN[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C)c1cccc(Cl)c1 ZINC000378405659 942732178 /nfs/dbraw/zinc/73/21/78/942732178.db2.gz SAVJAEMZWFJMJR-HUYLIWGRSA-N 1 3 366.933 3.507 20 0 FHADHO CC[NH+](CC)CCCC1CCN(C[C@H](O)c2ccc(F)c(F)c2)CC1 ZINC000182752896 942783750 /nfs/dbraw/zinc/78/37/50/942783750.db2.gz FSRSANIQVFYGQQ-FQEVSTJZSA-N 1 3 354.485 3.832 20 0 FHADHO CCCNc1ccc(C[NH2+]Cc2ccccc2N2CCN(CC)CC2)cc1 ZINC000434756769 942945922 /nfs/dbraw/zinc/94/59/22/942945922.db2.gz DGZFMOHNRKBPSR-UHFFFAOYSA-N 1 3 366.553 3.940 20 0 FHADHO C[N@H+](C[C@@H]1CCN(Cc2ccccc2)C1)Cn1cnc2cc(F)c(F)cc21 ZINC000173514459 942955506 /nfs/dbraw/zinc/95/55/06/942955506.db2.gz WMGFPJFHXBUQQS-KRWDZBQOSA-N 1 3 370.447 3.726 20 0 FHADHO C[N@@H+](C[C@@H]1CCN(Cc2ccccc2)C1)Cn1cnc2cc(F)c(F)cc21 ZINC000173514459 942955515 /nfs/dbraw/zinc/95/55/15/942955515.db2.gz WMGFPJFHXBUQQS-KRWDZBQOSA-N 1 3 370.447 3.726 20 0 FHADHO CN(CCOc1ccccc1)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000434984114 943074164 /nfs/dbraw/zinc/07/41/64/943074164.db2.gz YSDAWCKWBCYIAM-UHFFFAOYSA-N 1 3 367.537 3.728 20 0 FHADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCc1ccc(Br)s1 ZINC000422723107 943259352 /nfs/dbraw/zinc/25/93/52/943259352.db2.gz ZPFLOUMVEGVQDJ-IUODEOHRSA-N 1 3 353.329 3.601 20 0 FHADHO COc1ccc([C@H](CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)N2CCCC2)cc1 ZINC000422757802 943262162 /nfs/dbraw/zinc/26/21/62/943262162.db2.gz MZBYGCNZSDKACO-ACESQOTJSA-N 1 3 371.569 3.733 20 0 FHADHO Cc1cc(F)ccc1N1CCC[C@@H]([NH2+][C@@H](C)c2ccc(CN)nc2C)C1 ZINC000422752004 943272457 /nfs/dbraw/zinc/27/24/57/943272457.db2.gz CDYUZEQUNABKKL-QFBILLFUSA-N 1 3 356.489 3.616 20 0 FHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC1(c2cccc(Cl)c2)CCOCC1 ZINC000422757109 943273636 /nfs/dbraw/zinc/27/36/36/943273636.db2.gz JLWOIEZRJGPKCU-HNNXBMFYSA-N 1 3 373.928 3.901 20 0 FHADHO CCOc1cc(CCC[NH2+][C@@H](C)c2ccc(CN)nc2C)ccc1OC ZINC000422766915 943275528 /nfs/dbraw/zinc/27/55/28/943275528.db2.gz XXRBUQYYFUVEGN-HNNXBMFYSA-N 1 3 357.498 3.539 20 0 FHADHO COc1ccc2c(c1)CCC[C@@H]2N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422776043 943278532 /nfs/dbraw/zinc/27/85/32/943278532.db2.gz BZBIZHJOZSCLME-QNWVGRARSA-N 1 3 364.489 3.918 20 0 FHADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000422785642 943282374 /nfs/dbraw/zinc/28/23/74/943282374.db2.gz NPRGGOAWZPDCJF-JTSKRJEESA-N 1 3 371.956 3.853 20 0 FHADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000422785642 943282382 /nfs/dbraw/zinc/28/23/82/943282382.db2.gz NPRGGOAWZPDCJF-JTSKRJEESA-N 1 3 371.956 3.853 20 0 FHADHO CCN(CC)[C@H](CNC(=O)NCc1ccc([C@@H](C)[NH3+])cc1)c1ccsc1 ZINC000417001138 943283586 /nfs/dbraw/zinc/28/35/86/943283586.db2.gz DVMFIJYICKGJSM-DNVCBOLYSA-N 1 3 374.554 3.650 20 0 FHADHO Cc1ccc([C@H](C[NH2+][C@H](Cc2ccccc2)[C@H](C)N)N2CCCC2)cc1 ZINC000422822303 943296696 /nfs/dbraw/zinc/29/66/96/943296696.db2.gz AODMPWHEOFKLFN-PMOQBDJRSA-N 1 3 351.538 3.680 20 0 FHADHO CCOCc1ccc(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422835268 943299699 /nfs/dbraw/zinc/29/96/99/943299699.db2.gz PDJLSBVRUULHBM-RBBKRZOGSA-N 1 3 352.478 3.569 20 0 FHADHO Cc1cc(C)n(-c2ccccc2CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)n1 ZINC000422890364 943319402 /nfs/dbraw/zinc/31/94/02/943319402.db2.gz RTFCCJMLSMBUTN-PCCBWWKXSA-N 1 3 352.526 3.890 20 0 FHADHO COc1ccc(C)cc1C1(CN[C@@H]2C[C@H]([NH3+])c3ccccc32)CCOCC1 ZINC000422893536 943330981 /nfs/dbraw/zinc/33/09/81/943330981.db2.gz ADOTVVOFXDWIQI-LEWJYISDSA-N 1 3 366.505 3.786 20 0 FHADHO C[N@@H+]1CCC[C@H](CNCc2ccc3[nH]c(=O)[nH]c3c2)[C@H]1c1cccs1 ZINC000641728677 943346098 /nfs/dbraw/zinc/34/60/98/943346098.db2.gz FOKLIBHOPTUKRZ-KDOFPFPSSA-N 1 3 356.495 3.503 20 0 FHADHO C[N@H+]1CCC[C@H](CNCc2ccc3[nH]c(=O)[nH]c3c2)[C@H]1c1cccs1 ZINC000641728677 943346102 /nfs/dbraw/zinc/34/61/02/943346102.db2.gz FOKLIBHOPTUKRZ-KDOFPFPSSA-N 1 3 356.495 3.503 20 0 FHADHO Cc1cc(C[C@H](C)[NH2+][C@H](C)c2ccc(CN)nc2C)n(-c2ccccc2)n1 ZINC000423002019 943361434 /nfs/dbraw/zinc/36/14/34/943361434.db2.gz YCYQJGZDSNSAST-DOTOQJQBSA-N 1 3 363.509 3.625 20 0 FHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000423009761 943363232 /nfs/dbraw/zinc/36/32/32/943363232.db2.gz DTWFNFWZKUAVMJ-KPOBHBOGSA-N 1 3 358.917 3.598 20 0 FHADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000423023131 943366033 /nfs/dbraw/zinc/36/60/33/943366033.db2.gz JAXWRBHORLFNMP-UVFQYZLESA-N 1 3 361.892 3.606 20 0 FHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000423017680 943366108 /nfs/dbraw/zinc/36/61/08/943366108.db2.gz PJGGTFLOQNZZQS-RQUSPXKASA-N 1 3 363.864 3.822 20 0 FHADHO C[C@@H](N[C@@H](C)C[C@@H]1COCC[NH2+]1)c1ccccc1OCc1ccccc1 ZINC000423019551 943366611 /nfs/dbraw/zinc/36/66/11/943366611.db2.gz WDZAPDOIBVDDLP-NLWGTHIKSA-N 1 3 354.494 3.683 20 0 FHADHO NC[C@H]1CCC[C@H]1[NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000423036313 943373304 /nfs/dbraw/zinc/37/33/04/943373304.db2.gz TWDIMPGRMSCUJO-RDTXWAMCSA-N 1 3 356.341 3.675 20 0 FHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H](CN(C)Cc1ccccc1)C(C)C ZINC000423056852 943376895 /nfs/dbraw/zinc/37/68/95/943376895.db2.gz YURQOPUGMOIUMZ-GCJKJVERSA-N 1 3 354.542 3.656 20 0 FHADHO COc1ccc([C@H](C)CN(Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435394159 943380553 /nfs/dbraw/zinc/38/05/53/943380553.db2.gz MOCKYLLLRYTNKV-WIYYLYMNSA-N 1 3 353.510 3.838 20 0 FHADHO CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000423114419 943396032 /nfs/dbraw/zinc/39/60/32/943396032.db2.gz VPQHEVWQDJAANI-PZKPASOESA-N 1 3 353.510 3.851 20 0 FHADHO c1nc(SC2CCCC2)ncc1CCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423138991 943417272 /nfs/dbraw/zinc/41/72/72/943417272.db2.gz UTQGMCFXWJKDNX-VAMGGRTRSA-N 1 3 374.598 3.954 20 0 FHADHO [NH3+]CCCN[C@H]1CCCc2nc(-c3ccccc3Br)sc21 ZINC000423181625 943429575 /nfs/dbraw/zinc/42/95/75/943429575.db2.gz GHNJFHPMVIFAQO-ZDUSSCGKSA-N 1 3 366.328 3.888 20 0 FHADHO CC(C)[NH+](CCN(C)C(=O)N[C@@H](CN1CCCC1)c1ccccc1)C(C)C ZINC000504008316 943455324 /nfs/dbraw/zinc/45/53/24/943455324.db2.gz QCLPPEQTWMQFNK-NRFANRHFSA-N 1 3 374.573 3.584 20 0 FHADHO Cc1nc(C)c([C@H](C)[NH2+][C@H]2CNCC[C@H]2c2ccc(F)c(F)c2)s1 ZINC000423381328 943496686 /nfs/dbraw/zinc/49/66/86/943496686.db2.gz ZHQJNPWKQSDYGC-YLVFBTJISA-N 1 3 351.466 3.834 20 0 FHADHO COc1ccc([C@@H](Cc2ccncc2)NCc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000423386055 943498182 /nfs/dbraw/zinc/49/81/82/943498182.db2.gz LVXZAESFTBMAEL-HSZRJFAPSA-N 1 3 359.473 3.767 20 0 FHADHO COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]CC2(N)C3CC4CC(C3)CC2C4)C1 ZINC000423529902 943538559 /nfs/dbraw/zinc/53/85/59/943538559.db2.gz QMLJJYCCVAHONT-AXGPVETESA-N 1 3 362.558 3.632 20 0 FHADHO Brc1cccc([C@@H](NCCC[NH2+]C2CC2)C2CCOCC2)c1 ZINC000423567184 943558762 /nfs/dbraw/zinc/55/87/62/943558762.db2.gz UZVBMOSIUQHCTR-SFHVURJKSA-N 1 3 367.331 3.649 20 0 FHADHO CCC[NH+]1CCN(c2ccccc2CN2CCC[C@@H]2c2ccc[nH]2)CC1 ZINC000435769085 943600442 /nfs/dbraw/zinc/60/04/42/943600442.db2.gz UFGYMPROGNBTPQ-JOCHJYFZSA-N 1 3 352.526 3.884 20 0 FHADHO C[C@H]([NH2+]CC[C@@H]1Sc2ccccc2NC1=O)[C@@H]1CCCN(C2CCC2)C1 ZINC000660257429 943795677 /nfs/dbraw/zinc/79/56/77/943795677.db2.gz SUAIWSNOQDUFOW-YRNRMSPPSA-N 1 3 373.566 3.732 20 0 FHADHO [NH3+]C[C@H]1CN(Cc2ccc(-c3ccccc3F)s2)CC12CCOCC2 ZINC000414791803 943944671 /nfs/dbraw/zinc/94/46/71/943944671.db2.gz RCQORAPUWORSQD-HNNXBMFYSA-N 1 3 360.498 3.742 20 0 FHADHO Cc1cc(CNCCC[NH2+]Cc2cccnc2)ccc1Oc1cccnc1 ZINC000414882248 944223458 /nfs/dbraw/zinc/22/34/58/944223458.db2.gz SIFHENGGDDONKK-UHFFFAOYSA-N 1 3 362.477 3.847 20 0 FHADHO [NH3+][C@@H]1CCC[C@H](NCc2ccc(Br)cc2C(F)(F)F)C1 ZINC000414921402 944324650 /nfs/dbraw/zinc/32/46/50/944324650.db2.gz FOANVRZBWJANDK-NEPJUHHUSA-N 1 3 351.210 3.827 20 0 FHADHO C[C@@H](C[NH2+]C1CCN(CCc2ccc(F)cc2)CC1)N1CCCC[C@H]1C ZINC000518426206 944370657 /nfs/dbraw/zinc/37/06/57/944370657.db2.gz CBHPDSZNSOXWKC-MOPGFXCFSA-N 1 3 361.549 3.685 20 0 FHADHO COc1ccc(-c2nc3c(s2)[C@H]([NH2+]C[C@@H](C)CN(C)C)CCC3)cc1 ZINC000425955003 944391600 /nfs/dbraw/zinc/39/16/00/944391600.db2.gz XWYNCCONUUFXGB-RHSMWYFYSA-N 1 3 359.539 3.983 20 0 FHADHO CC1(C)CN(Cc2ccnc(N)c2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664837164 944393201 /nfs/dbraw/zinc/39/32/01/944393201.db2.gz NBVOHLWGNMYIDG-QFIPXVFZSA-N 1 3 364.537 3.786 20 0 FHADHO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NCCCCOc2ccccc2)cc1 ZINC000414887542 944440055 /nfs/dbraw/zinc/44/00/55/944440055.db2.gz QREVRCCPMHAVPZ-FCHUYYIVSA-N 1 3 354.494 3.590 20 0 FHADHO CC(C)c1nnc(CC[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)s1 ZINC000426350343 944529192 /nfs/dbraw/zinc/52/91/92/944529192.db2.gz HMBKTVNYMBGUQD-SJLPKXTDSA-N 1 3 358.555 3.704 20 0 FHADHO CC(C)c1nnc(CCN[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000426350343 944529194 /nfs/dbraw/zinc/52/91/94/944529194.db2.gz HMBKTVNYMBGUQD-SJLPKXTDSA-N 1 3 358.555 3.704 20 0 FHADHO CC(C)c1nnc(CCN[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000426350343 944529195 /nfs/dbraw/zinc/52/91/95/944529195.db2.gz HMBKTVNYMBGUQD-SJLPKXTDSA-N 1 3 358.555 3.704 20 0 FHADHO Cc1cc(OC[C@H](O)CN[C@@H]2CC[N@H+](C)[C@H](C)C2)c(C(C)C)cc1Cl ZINC000516175891 944559617 /nfs/dbraw/zinc/55/96/17/944559617.db2.gz XDJDTFUZXQKYMN-BRWVUGGUSA-N 1 3 368.949 3.584 20 0 FHADHO Cc1cc(OC[C@H](O)CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(C(C)C)cc1Cl ZINC000516175891 944559621 /nfs/dbraw/zinc/55/96/21/944559621.db2.gz XDJDTFUZXQKYMN-BRWVUGGUSA-N 1 3 368.949 3.584 20 0 FHADHO COC(=O)c1ccc(C[NH2+]C[C@@]2(C)CCN(Cc3ccccc3)C2)cc1F ZINC000312737020 944589086 /nfs/dbraw/zinc/58/90/86/944589086.db2.gz XEFQGKJGCBBQKM-JOCHJYFZSA-N 1 3 370.468 3.614 20 0 FHADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(Cc2cnc(-c3ccsc3)s2)CC1 ZINC000518727228 944656275 /nfs/dbraw/zinc/65/62/75/944656275.db2.gz AQRIBAXHUIQWSN-IAGOWNOFSA-N 1 3 363.552 3.590 20 0 FHADHO Cc1nn(Cc2ccccc2Cl)c(C)c1CN1CCC(C[NH+](C)C)CC1 ZINC000506928838 944764800 /nfs/dbraw/zinc/76/48/00/944764800.db2.gz PZXCWXQLDCTLJM-UHFFFAOYSA-N 1 3 374.960 3.975 20 0 FHADHO CC[N@H+](C)Cc1cccc(CNCc2ccc(Cl)cc2-n2cncn2)c1 ZINC000280977707 945486279 /nfs/dbraw/zinc/48/62/79/945486279.db2.gz UEULJMRVSVNQKA-UHFFFAOYSA-N 1 3 369.900 3.662 20 0 FHADHO CC[N@@H+](C)Cc1cccc(CNCc2ccc(Cl)cc2-n2cncn2)c1 ZINC000280977707 945486283 /nfs/dbraw/zinc/48/62/83/945486283.db2.gz UEULJMRVSVNQKA-UHFFFAOYSA-N 1 3 369.900 3.662 20 0 FHADHO CCC[C@H](NCc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccsc1 ZINC000187693832 945561961 /nfs/dbraw/zinc/56/19/61/945561961.db2.gz BSNBGFWXVWQDKJ-IBGZPJMESA-N 1 3 359.539 3.671 20 0 FHADHO N[C@@H](CC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)c1ccccc1 ZINC000119585597 945692559 /nfs/dbraw/zinc/69/25/59/945692559.db2.gz VOEJFBGIYFWZBZ-QFIPXVFZSA-N 1 3 365.521 3.769 20 0 FHADHO CC[C@@H](NCC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1cccc(Cl)c1 ZINC000475132640 946468762 /nfs/dbraw/zinc/46/87/62/946468762.db2.gz AQFUZMQOZBPUHM-UXHICEINSA-N 1 3 373.928 3.800 20 0 FHADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000520363535 946499537 /nfs/dbraw/zinc/49/95/37/946499537.db2.gz MMFQAECVUTXMMS-KDURUIRLSA-N 1 3 371.569 3.769 20 0 FHADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000520363535 946499539 /nfs/dbraw/zinc/49/95/39/946499539.db2.gz MMFQAECVUTXMMS-KDURUIRLSA-N 1 3 371.569 3.769 20 0 FHADHO C[C@H]1CC([N@@H+]2CCC[C@@H]2CN2CCCC2)C[C@H](C)N1Cc1ccccc1 ZINC001168059329 946670405 /nfs/dbraw/zinc/67/04/05/946670405.db2.gz DNFSGCUWVCAEDL-JAXLGGSGSA-N 1 3 355.570 3.988 20 0 FHADHO C[C@H]1CC([N@H+]2CCC[C@@H]2CN2CCCC2)C[C@H](C)N1Cc1ccccc1 ZINC001168059329 946670412 /nfs/dbraw/zinc/67/04/12/946670412.db2.gz DNFSGCUWVCAEDL-JAXLGGSGSA-N 1 3 355.570 3.988 20 0 FHADHO C[C@H]1[C@H](C(F)(F)F)CCN1Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000475270479 946803534 /nfs/dbraw/zinc/80/35/34/946803534.db2.gz RDHHZQQCEYMNKG-MAUKXSAKSA-N 1 3 369.475 3.990 20 0 FHADHO C[C@H](c1ccc(Br)cc1)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348392 946892505 /nfs/dbraw/zinc/89/25/05/946892505.db2.gz BVINLWAXGZSNSM-KCMWZYNZSA-N 1 3 367.331 3.728 20 0 FHADHO C[C@H](c1cccc(Br)c1)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652350446 946895546 /nfs/dbraw/zinc/89/55/46/946895546.db2.gz ZKZKKCSTUSRRJX-AETAKHFUSA-N 1 3 367.331 3.728 20 0 FHADHO Clc1ccccc1CN1CCC(C[NH2+][C@H]2CCCn3ccnc32)CC1 ZINC000655711117 946981306 /nfs/dbraw/zinc/98/13/06/946981306.db2.gz FESQJCUEHLDNNR-IBGZPJMESA-N 1 3 358.917 3.873 20 0 FHADHO Cc1cc(NC(=O)C(C[C@H]2CCCO2)C(F)(F)F)ccc1C[NH+](C)C ZINC000652435582 947113658 /nfs/dbraw/zinc/11/36/58/947113658.db2.gz TTYATQVIDVCDNF-CVEARBPZSA-N 1 3 358.404 3.743 20 0 FHADHO O[C@]1(C[NH2+]C2CCN(C3CCCCC3)CC2)CCC[C@@H](C(F)(F)F)C1 ZINC000188601255 947498993 /nfs/dbraw/zinc/49/89/93/947498993.db2.gz KPWUXFHKTPFGKW-CRAIPNDOSA-N 1 3 362.480 3.857 20 0 FHADHO O[C@]1(CNC2CC[NH+](C3CCCCC3)CC2)CCC[C@@H](C(F)(F)F)C1 ZINC000188601255 947498999 /nfs/dbraw/zinc/49/89/99/947498999.db2.gz KPWUXFHKTPFGKW-CRAIPNDOSA-N 1 3 362.480 3.857 20 0 FHADHO O[C@@]1(C[NH2+]C2CCN(C3CCCCC3)CC2)CCC[C@H](C(F)(F)F)C1 ZINC000188601185 947499591 /nfs/dbraw/zinc/49/95/91/947499591.db2.gz KPWUXFHKTPFGKW-YJBOKZPZSA-N 1 3 362.480 3.857 20 0 FHADHO O[C@@]1(CNC2CC[NH+](C3CCCCC3)CC2)CCC[C@H](C(F)(F)F)C1 ZINC000188601185 947499610 /nfs/dbraw/zinc/49/96/10/947499610.db2.gz KPWUXFHKTPFGKW-YJBOKZPZSA-N 1 3 362.480 3.857 20 0 FHADHO COc1cccc(CN(Cc2cccc3c2CC[NH2+]C3)C[C@H]2CCCO2)c1 ZINC000662252556 947674334 /nfs/dbraw/zinc/67/43/34/947674334.db2.gz AJWMTXGFNYLJGI-JOCHJYFZSA-N 1 3 366.505 3.522 20 0 FHADHO Cc1cc(-c2noc([C@@H](C)N3CCC[C@@H](C4CC[NH2+]CC4)C3)n2)ccc1F ZINC000662296008 947722266 /nfs/dbraw/zinc/72/22/66/947722266.db2.gz JVRNCTUSSNTEMS-CRAIPNDOSA-N 1 3 372.488 3.957 20 0 FHADHO Cc1cc(-c2noc([C@H](C)N3CCC[C@@H](C4CC[NH2+]CC4)C3)n2)ccc1F ZINC000662296009 947722595 /nfs/dbraw/zinc/72/25/95/947722595.db2.gz JVRNCTUSSNTEMS-MAUKXSAKSA-N 1 3 372.488 3.957 20 0 FHADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1cccc2c1CNC2 ZINC000662390222 947769328 /nfs/dbraw/zinc/76/93/28/947769328.db2.gz YSGHJVKVAYPOEQ-KRWDZBQOSA-N 1 3 363.505 3.594 20 0 FHADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1cccc2c1CNC2 ZINC000662390222 947769334 /nfs/dbraw/zinc/76/93/34/947769334.db2.gz YSGHJVKVAYPOEQ-KRWDZBQOSA-N 1 3 363.505 3.594 20 0 FHADHO CCC(CC)(CNC(=O)c1cccc2c1CNC2)[NH2+][C@H](C)c1ccccc1 ZINC000662453693 947824851 /nfs/dbraw/zinc/82/48/51/947824851.db2.gz DFIZBTXJMQVLRI-QGZVFWFLSA-N 1 3 365.521 3.929 20 0 FHADHO OC[C@@]1(NCc2ccc(C[NH+]3CCCCC3)cc2)CCc2ccccc21 ZINC000663355738 947834310 /nfs/dbraw/zinc/83/43/10/947834310.db2.gz DLOHSXCSZUTJKQ-QHCPKHFHSA-N 1 3 350.506 3.596 20 0 FHADHO CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)c1 ZINC000165287955 947875267 /nfs/dbraw/zinc/87/52/67/947875267.db2.gz CNIGUUSBWVFFAW-RXVVDRJESA-N 1 3 365.521 3.860 20 0 FHADHO COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H]2CCCN(CC3CC3)C2)cc1OC ZINC000663463655 948050076 /nfs/dbraw/zinc/05/00/76/948050076.db2.gz ASZFHNBNVBCFEL-ZHALLVOQSA-N 1 3 360.542 3.907 20 0 FHADHO CCc1ccccc1NC(=O)C[C@@H](C)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663467512 948054592 /nfs/dbraw/zinc/05/45/92/948054592.db2.gz GLIYCMXSZHUIEX-IEBWSBKVSA-N 1 3 357.542 3.678 20 0 FHADHO CCc1ccccc1NC(=O)C[C@@H](C)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467512 948054599 /nfs/dbraw/zinc/05/45/99/948054599.db2.gz GLIYCMXSZHUIEX-IEBWSBKVSA-N 1 3 357.542 3.678 20 0 FHADHO CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663467512 948054603 /nfs/dbraw/zinc/05/46/03/948054603.db2.gz GLIYCMXSZHUIEX-IEBWSBKVSA-N 1 3 357.542 3.678 20 0 FHADHO CC[NH+](CC)CCC[C@@H](C)N1CCn2c(CN(C)C(C)C)cnc2[C@H]1C ZINC001167825129 948119082 /nfs/dbraw/zinc/11/90/82/948119082.db2.gz REEUMSFYJNSTEP-RTBURBONSA-N 1 3 363.594 3.610 20 0 FHADHO CC[NH+](CC)CCC[C@H](C)N1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC001167827285 948141474 /nfs/dbraw/zinc/14/14/74/948141474.db2.gz VPXGFDCKJFGPAF-KRWDZBQOSA-N 1 3 355.567 3.828 20 0 FHADHO C[C@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1cccc(Br)c1 ZINC000432411312 948362638 /nfs/dbraw/zinc/36/26/38/948362638.db2.gz XFLNFQMIXARMRH-GJZGRUSLSA-N 1 3 355.320 3.601 20 0 FHADHO C[C@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1cccc(Br)c1 ZINC000432411312 948362649 /nfs/dbraw/zinc/36/26/49/948362649.db2.gz XFLNFQMIXARMRH-GJZGRUSLSA-N 1 3 355.320 3.601 20 0 FHADHO COc1ccc2cc([C@@H](C)NCCC[N@@H+]3CCCO[C@H](C)C3)ccc2c1 ZINC000432414964 948365439 /nfs/dbraw/zinc/36/54/39/948365439.db2.gz AYZXDOYMNHONEG-QZTJIDSGSA-N 1 3 356.510 4.000 20 0 FHADHO COc1ccc2cc([C@@H](C)NCCC[N@H+]3CCCO[C@H](C)C3)ccc2c1 ZINC000432414964 948365446 /nfs/dbraw/zinc/36/54/46/948365446.db2.gz AYZXDOYMNHONEG-QZTJIDSGSA-N 1 3 356.510 4.000 20 0 FHADHO C[C@@H]1CN(CCCC[NH2+]Cc2cnc(-c3ccccc3)s2)C[C@H](C)O1 ZINC000066990645 948576744 /nfs/dbraw/zinc/57/67/44/948576744.db2.gz ROAFOSKRWZWXKD-CALCHBBNSA-N 1 3 359.539 3.789 20 0 FHADHO C[C@@H]1C[C@@H](NC[C@@](C)(O)c2ccccc2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168008272 948775086 /nfs/dbraw/zinc/77/50/86/948775086.db2.gz WZUWXWQQBZVDOB-IYRWYFENSA-N 1 3 352.522 3.925 20 0 FHADHO C[C@@H]1C[C@@H](NC[C@@](C)(O)c2ccccc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168008272 948775091 /nfs/dbraw/zinc/77/50/91/948775091.db2.gz WZUWXWQQBZVDOB-IYRWYFENSA-N 1 3 352.522 3.925 20 0 FHADHO C[C@@]12CCN(Cc3ccc(OCC[NH+]4CCCC4)cc3)C[C@@H]1C2(F)F ZINC000644835203 568010192 /nfs/dbraw/zinc/01/01/92/568010192.db2.gz XGDGVGIIEQLLON-RBUKOAKNSA-N 1 3 350.453 3.638 20 0 FHADHO Cc1cccc([C@H]2CCCCCN2CC(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000522783930 568186787 /nfs/dbraw/zinc/18/67/87/568186787.db2.gz JDBMBRPGOMNTMK-JOCHJYFZSA-N 1 3 371.569 3.901 20 0 FHADHO Cc1cc(C)nc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164836994 720660749 /nfs/dbraw/zinc/66/07/49/720660749.db2.gz APSVLZZNDFSXTJ-NRFANRHFSA-N 1 3 365.521 3.958 20 0 FHADHO Cc1cc(C)nc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164836994 720660752 /nfs/dbraw/zinc/66/07/52/720660752.db2.gz APSVLZZNDFSXTJ-NRFANRHFSA-N 1 3 365.521 3.958 20 0 FHADHO CCC1CCC([N@H+](CC(=O)NC[C@@H](c2ccccc2)N(C)C)C2CC2)CC1 ZINC001167070140 928197547 /nfs/dbraw/zinc/19/75/47/928197547.db2.gz DDNPLOBSIGTXNE-ZNIKRAEXSA-N 1 3 371.569 3.839 20 0 FHADHO CCC1CCC([N@@H+](CC(=O)NC[C@@H](c2ccccc2)N(C)C)C2CC2)CC1 ZINC001167070140 928197569 /nfs/dbraw/zinc/19/75/69/928197569.db2.gz DDNPLOBSIGTXNE-ZNIKRAEXSA-N 1 3 371.569 3.839 20 0 FHADHO CN1CCC[C@@H]1CC[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000179453249 928755248 /nfs/dbraw/zinc/75/52/48/928755248.db2.gz MMHLUWPMIDSPTO-QGZVFWFLSA-N 1 3 367.331 3.529 20 0 FHADHO CCN1CCN(CCC[NH2+][C@@H](c2ccccc2)c2ccc(C)cc2)CC1 ZINC000180109018 929377506 /nfs/dbraw/zinc/37/75/06/929377506.db2.gz JSUHUUXZNJZIHH-QHCPKHFHSA-N 1 3 351.538 3.702 20 0 FHADHO CCN1CCN([C@@H](C)C[NH2+][C@@H](c2ccccc2)c2ccc(C)cc2)CC1 ZINC000180119204 929380314 /nfs/dbraw/zinc/38/03/14/929380314.db2.gz UDJSIRIIMLTSRF-REWPJTCUSA-N 1 3 351.538 3.700 20 0 FHADHO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@@H]1CCCN(CC(C)C)C1)CC3 ZINC000123477829 930015841 /nfs/dbraw/zinc/01/58/41/930015841.db2.gz MXIXGJNVWKVEPF-ZWKOTPCHSA-N 1 3 369.553 3.991 20 0 FHADHO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@H]1CCCN(CC(C)C)C1)CC3 ZINC000123477565 930015942 /nfs/dbraw/zinc/01/59/42/930015942.db2.gz MXIXGJNVWKVEPF-QZTJIDSGSA-N 1 3 369.553 3.991 20 0 FHADHO CN(CCC(=O)Nc1ccccc1-c1ccccc1)C[C@H]1CCC[N@H+](C)C1 ZINC000152350924 930263211 /nfs/dbraw/zinc/26/32/11/930263211.db2.gz YPKIGDSJJYXWIX-IBGZPJMESA-N 1 3 365.521 3.956 20 0 FHADHO CN(CCC(=O)Nc1ccccc1-c1ccccc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000152350924 930263212 /nfs/dbraw/zinc/26/32/12/930263212.db2.gz YPKIGDSJJYXWIX-IBGZPJMESA-N 1 3 365.521 3.956 20 0 FHADHO c1ccc2c(c1)sc1c2CCC[C@H]1NCc1n[nH]c(C2CC[NH2+]CC2)n1 ZINC000580182425 930337938 /nfs/dbraw/zinc/33/79/38/930337938.db2.gz UGOYSWHRDYCQJJ-MRXNPFEDSA-N 1 3 367.522 3.654 20 0 FHADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3csc4ccccc34)CC2)CC1 ZINC000275833758 930509910 /nfs/dbraw/zinc/50/99/10/930509910.db2.gz YVPVOGOVKBQFBH-UHFFFAOYSA-N 1 3 372.538 3.581 20 0 FHADHO O=[N+]([O-])c1ccc(N2CCC([NH2+]C3CCN(C4CCCC4)CC3)CC2)cc1 ZINC000160511266 930727177 /nfs/dbraw/zinc/72/71/77/930727177.db2.gz SKZLSESVDMWMMI-UHFFFAOYSA-N 1 3 372.513 3.560 20 0 FHADHO Cc1nn(-c2ccccc2F)cc1CN1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000656250317 930848753 /nfs/dbraw/zinc/84/87/53/930848753.db2.gz MRQUUQXZCKJMLS-UHFFFAOYSA-N 1 3 358.505 3.872 20 0 FHADHO Cc1nn(-c2ccccc2F)cc1CN1CCC(C[N@H+](C)C(C)C)CC1 ZINC000656250317 930848756 /nfs/dbraw/zinc/84/87/56/930848756.db2.gz MRQUUQXZCKJMLS-UHFFFAOYSA-N 1 3 358.505 3.872 20 0 FHADHO CC[NH2+]CC1CCN(Cc2cccc(C(=O)Nc3ccccc3)c2)CC1 ZINC000430552025 931805540 /nfs/dbraw/zinc/80/55/40/931805540.db2.gz APJOCTONDVXJOZ-UHFFFAOYSA-N 1 3 351.494 3.760 20 0 FHADHO CC(C)[C@@](C)(CN)[NH2+]CC(=O)Nc1ccccc1Sc1ccccc1 ZINC000430573374 931919002 /nfs/dbraw/zinc/91/90/02/931919002.db2.gz QIFFDLXGALKBTM-HXUWFJFHSA-N 1 3 357.523 3.739 20 0 FHADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC[C@@H]2C[C@H]2c2ccccc2)cc1F ZINC000656789846 932422232 /nfs/dbraw/zinc/42/22/32/932422232.db2.gz AGHMSQMIBUZWGH-IWFBPKFRSA-N 1 3 354.469 3.673 20 0 FHADHO COc1cc(CN2CCC[C@H](C3CC[NH2+]CC3)C2)cc(Cl)c1OC ZINC000656786731 932426109 /nfs/dbraw/zinc/42/61/09/932426109.db2.gz XCPNSQAZYKKRPE-INIZCTEOSA-N 1 3 352.906 3.569 20 0 FHADHO CC(C)N1CC[C@@H](C[NH2+][C@H](C)Cc2ccc(F)cc2Br)C1 ZINC000581689567 932507401 /nfs/dbraw/zinc/50/74/01/932507401.db2.gz XMKORRXDFPTDBN-KGLIPLIRSA-N 1 3 357.311 3.839 20 0 FHADHO C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)N[C@H](C[NH3+])C1CCCC1 ZINC000581713888 932546450 /nfs/dbraw/zinc/54/64/50/932546450.db2.gz ZHYZYEGXILNPHL-MLGOLLRUSA-N 1 3 357.420 3.530 20 0 FHADHO Cc1ncc([C@H](C)[NH2+]CCCCN2CCN(c3ccccc3)CC2)s1 ZINC000090404922 932617242 /nfs/dbraw/zinc/61/72/42/932617242.db2.gz FYHDOOLOJAMOPP-KRWDZBQOSA-N 1 3 358.555 3.705 20 0 FHADHO C[NH+](C)CC1CCN(Cc2sccc2NC(=O)OC(C)(C)C)CC1 ZINC000891610702 932837253 /nfs/dbraw/zinc/83/72/53/932837253.db2.gz CEMXLTAIKMEPBN-UHFFFAOYSA-N 1 3 353.532 3.869 20 0 FHADHO C[C@H](NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1cncc(F)c1 ZINC000090971245 933106675 /nfs/dbraw/zinc/10/66/75/933106675.db2.gz UZCVBSJCTNKTLV-KRWDZBQOSA-N 1 3 368.500 3.604 20 0 FHADHO Cc1cccc([C@H](NCCC[N@H+]2CCCN(C)CC2)c2cccc(F)c2)c1 ZINC000510655515 933365766 /nfs/dbraw/zinc/36/57/66/933365766.db2.gz IULOEJUUSOQCRY-QHCPKHFHSA-N 1 3 369.528 3.841 20 0 FHADHO Cc1cccc([C@H](NCCC[N@@H+]2CCCN(C)CC2)c2cccc(F)c2)c1 ZINC000510655515 933365775 /nfs/dbraw/zinc/36/57/75/933365775.db2.gz IULOEJUUSOQCRY-QHCPKHFHSA-N 1 3 369.528 3.841 20 0 FHADHO Cc1cccc([C@@H](NCCC[N@H+]2CCCN(C)CC2)c2cccc(F)c2)c1 ZINC000510655514 933366046 /nfs/dbraw/zinc/36/60/46/933366046.db2.gz IULOEJUUSOQCRY-HSZRJFAPSA-N 1 3 369.528 3.841 20 0 FHADHO Cc1cccc([C@@H](NCCC[N@@H+]2CCCN(C)CC2)c2cccc(F)c2)c1 ZINC000510655514 933366058 /nfs/dbraw/zinc/36/60/58/933366058.db2.gz IULOEJUUSOQCRY-HSZRJFAPSA-N 1 3 369.528 3.841 20 0 FHADHO CCN1CCN([C@@H](C)C[NH2+][C@@H](c2cccc(C)c2)c2cccc(F)c2)CC1 ZINC000510747791 933639118 /nfs/dbraw/zinc/63/91/18/933639118.db2.gz FRGKDZLHBNOEKX-CVDCTZTESA-N 1 3 369.528 3.839 20 0 FHADHO Cc1cccc([C@@H](NCCN2CCC([NH+](C)C)CC2)c2cccc(F)c2)c1 ZINC000510756891 933647382 /nfs/dbraw/zinc/64/73/82/933647382.db2.gz XQXNHYSFQQBCEO-HSZRJFAPSA-N 1 3 369.528 3.839 20 0 FHADHO CC[C@H](N[C@H](C)CC[NH+](C)C)c1ccc(I)cc1 ZINC000610805962 934449463 /nfs/dbraw/zinc/44/94/63/934449463.db2.gz LZBNMCOCVKUTKK-DOMZBBRYSA-N 1 3 360.283 3.672 20 0 FHADHO c1cc(CNCc2ccc(O[C@H]3CCOC3)cc2)cc(C[NH+]2CCCC2)c1 ZINC000657301033 935024095 /nfs/dbraw/zinc/02/40/95/935024095.db2.gz YORFCLYNJZYIJP-QHCPKHFHSA-N 1 3 366.505 3.740 20 0 FHADHO CCCOc1ccc(C[NH2+]C2CCN([C@@H]3CCCC[C@H]3O)CC2)c(C)c1 ZINC000657398912 935561479 /nfs/dbraw/zinc/56/14/79/935561479.db2.gz FMSZIQKFMDTZOM-FGZHOGPDSA-N 1 3 360.542 3.641 20 0 FHADHO O[C@H]1CC[N@H+](Cc2ccc(CNCc3ccc(C(F)(F)F)s3)cc2)C1 ZINC000657597312 936072697 /nfs/dbraw/zinc/07/26/97/936072697.db2.gz TVLZFYAWJHTYMQ-HNNXBMFYSA-N 1 3 370.440 3.623 20 0 FHADHO O[C@H]1CC[N@@H+](Cc2ccc(CNCc3ccc(C(F)(F)F)s3)cc2)C1 ZINC000657597312 936072702 /nfs/dbraw/zinc/07/27/02/936072702.db2.gz TVLZFYAWJHTYMQ-HNNXBMFYSA-N 1 3 370.440 3.623 20 0 FHADHO FC(F)Oc1ccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1 ZINC000657611720 936093004 /nfs/dbraw/zinc/09/30/04/936093004.db2.gz DTMXNVNRCWAEGC-UHFFFAOYSA-N 1 3 361.436 3.685 20 0 FHADHO COc1ccccc1/C=C/C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657613295 936093291 /nfs/dbraw/zinc/09/32/91/936093291.db2.gz XJCIBGRMUOAFRF-GQCTYLIASA-N 1 3 351.494 3.605 20 0 FHADHO COc1ccc2oc(C[NH2+]CC3CCN(Cc4ccncc4)CC3)cc2c1 ZINC000657613858 936100277 /nfs/dbraw/zinc/10/02/77/936100277.db2.gz UNIRTLFUVAUJHL-UHFFFAOYSA-N 1 3 365.477 3.838 20 0 FHADHO C[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2)[C@H]1CC1(C)C ZINC000582799736 936139341 /nfs/dbraw/zinc/13/93/41/936139341.db2.gz YBQREPYKSPBGHZ-SESVDKBCSA-N 1 3 356.554 3.939 20 0 FHADHO Cc1cc(CN2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c(OC(F)F)cc1C ZINC000650706584 938286575 /nfs/dbraw/zinc/28/65/75/938286575.db2.gz NZMMPOLIURFXOE-RYQLBKOJSA-N 1 3 368.468 3.623 20 0 FHADHO CN(C)Cc1cc(C[NH2+][C@H]2CCN(C)[C@@H](c3ccccc3)C2)ccc1F ZINC000569631671 938300536 /nfs/dbraw/zinc/30/05/36/938300536.db2.gz GUAOZYHAZQOPNR-RBBKRZOGSA-N 1 3 355.501 3.812 20 0 FHADHO CC(C)c1ccc(NC(=O)C[C@H](C)NCc2ccc(C[NH3+])cc2F)cc1 ZINC000650717957 938305023 /nfs/dbraw/zinc/30/50/23/938305023.db2.gz SAAGLXMUSCPGQP-HNNXBMFYSA-N 1 3 357.473 3.915 20 0 FHADHO Cc1ccc(CN2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c(Br)c1 ZINC000650723106 938310162 /nfs/dbraw/zinc/31/01/62/938310162.db2.gz HPQKWUPCOUPIDO-CGTJXYLNSA-N 1 3 367.331 3.618 20 0 FHADHO C[N@@H+](Cc1ccccc1)CC1CCN(C[C@@H](O)c2cccc(F)c2)CC1 ZINC000728570496 938321148 /nfs/dbraw/zinc/32/11/48/938321148.db2.gz MQEYPBPIOAKBNA-JOCHJYFZSA-N 1 3 356.485 3.703 20 0 FHADHO C[N@H+](Cc1ccccc1)CC1CCN(C[C@@H](O)c2cccc(F)c2)CC1 ZINC000728570496 938321149 /nfs/dbraw/zinc/32/11/49/938321149.db2.gz MQEYPBPIOAKBNA-JOCHJYFZSA-N 1 3 356.485 3.703 20 0 FHADHO CC(C)(C(=O)NC[C@@H](c1ccccc1)N1CCCC1)[C@H]([NH3+])c1ccccc1 ZINC000583690177 938359248 /nfs/dbraw/zinc/35/92/48/938359248.db2.gz HNUJANCZIHRYBA-LEWJYISDSA-N 1 3 365.521 3.666 20 0 FHADHO C[C@H]1CSc2ccc(Br)cc2[C@@H]1NC1CC[NH+](C)CC1 ZINC000151125273 938385552 /nfs/dbraw/zinc/38/55/52/938385552.db2.gz SBWYCBMVTJZNHY-MEDUHNTESA-N 1 3 355.345 3.916 20 0 FHADHO C[C@@H]1CSc2ccc(Br)cc2[C@@H]1NC1CC[NH+](C)CC1 ZINC000151125215 938385685 /nfs/dbraw/zinc/38/56/85/938385685.db2.gz SBWYCBMVTJZNHY-BDJLRTHQSA-N 1 3 355.345 3.916 20 0 FHADHO Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CN(Cc3ccccc3)C[C@H]2C)o1 ZINC000708539722 938815005 /nfs/dbraw/zinc/81/50/05/938815005.db2.gz DXUNRKPWMBQXSR-UZLBHIALSA-N 1 3 364.493 3.836 20 0 FHADHO CCc1noc(-c2ccc(CC[NH2+]C3CCN(C4CCCC4)CC3)cc2)n1 ZINC000089551315 938865856 /nfs/dbraw/zinc/86/58/56/938865856.db2.gz TYDBDVXXFYWKEB-UHFFFAOYSA-N 1 3 368.525 3.838 20 0 FHADHO CCc1noc(-c2ccc(CCNC3CC[NH+](C4CCCC4)CC3)cc2)n1 ZINC000089551315 938865858 /nfs/dbraw/zinc/86/58/58/938865858.db2.gz TYDBDVXXFYWKEB-UHFFFAOYSA-N 1 3 368.525 3.838 20 0 FHADHO C[C@H]1C[C@H](NCCOc2ncccc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000090408858 938873243 /nfs/dbraw/zinc/87/32/43/938873243.db2.gz NINXDVGHBJOXOQ-FUHWJXTLSA-N 1 3 359.901 3.757 20 0 FHADHO C[C@H]1C[C@H](NCCOc2ncccc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000090408858 938873245 /nfs/dbraw/zinc/87/32/45/938873245.db2.gz NINXDVGHBJOXOQ-FUHWJXTLSA-N 1 3 359.901 3.757 20 0 FHADHO CCc1ccc([C@H](CO)N[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000090844183 938883305 /nfs/dbraw/zinc/88/33/05/938883305.db2.gz BTYAYRZYQMZZQK-JTSKRJEESA-N 1 3 356.510 3.574 20 0 FHADHO CCc1ccc([C@H](CO)N[C@H](C)c2cccc(OCC[NH+](C)C)c2)cc1 ZINC000090844221 938883320 /nfs/dbraw/zinc/88/33/20/938883320.db2.gz PBSYWDRGKHNLES-VGSWGCGISA-N 1 3 356.510 3.574 20 0 FHADHO C[C@H]([NH2+]Cc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1)c1ccc(F)cn1 ZINC000092737876 938919098 /nfs/dbraw/zinc/91/90/98/938919098.db2.gz XUTRDEUGNFIUNK-ZACQAIPSSA-N 1 3 357.473 3.681 20 0 FHADHO CN(C)c1ncc(CN2CCC(C[N@H+](C)Cc3ccccc3)CC2)s1 ZINC000093006815 938924915 /nfs/dbraw/zinc/92/49/15/938924915.db2.gz HBZUFLXXOYURPG-UHFFFAOYSA-N 1 3 358.555 3.553 20 0 FHADHO CN(C)c1ncc(CN2CCC(C[N@@H+](C)Cc3ccccc3)CC2)s1 ZINC000093006815 938924917 /nfs/dbraw/zinc/92/49/17/938924917.db2.gz HBZUFLXXOYURPG-UHFFFAOYSA-N 1 3 358.555 3.553 20 0 FHADHO C[C@H](NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1cc2cnccc2o1 ZINC000657873698 938960133 /nfs/dbraw/zinc/96/01/33/938960133.db2.gz NIMGVNWCTYJZDH-INIZCTEOSA-N 1 3 365.477 3.635 20 0 FHADHO Cc1ccc(CN(C)C)cc1NC(=O)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000611977038 939009475 /nfs/dbraw/zinc/00/94/75/939009475.db2.gz AQJQBAUTSXBQAA-OAQYLSRUSA-N 1 3 365.521 3.875 20 0 FHADHO C[C@H](NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cnc2ccsc2c1 ZINC000658139552 939042864 /nfs/dbraw/zinc/04/28/64/939042864.db2.gz MZGHPBGPDPLBCK-KXBFYZLASA-N 1 3 367.518 3.714 20 0 FHADHO C[C@H](NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cnc2ccsc2c1 ZINC000658139552 939042871 /nfs/dbraw/zinc/04/28/71/939042871.db2.gz MZGHPBGPDPLBCK-KXBFYZLASA-N 1 3 367.518 3.714 20 0 FHADHO C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1cc2cnccc2o1 ZINC000658164204 939052730 /nfs/dbraw/zinc/05/27/30/939052730.db2.gz MVBNZAGWKQMXPS-INIZCTEOSA-N 1 3 350.466 3.786 20 0 FHADHO Cc1c([C@@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)cnn1C(C)C ZINC000658164819 939052847 /nfs/dbraw/zinc/05/28/47/939052847.db2.gz FQSFQIGZRONLMQ-QGZVFWFLSA-N 1 3 355.530 3.730 20 0 FHADHO c1cc(CN2CCC(C[NH2+]C3CCC4(CCOCC4)CC3)CC2)ccn1 ZINC000658164495 939052862 /nfs/dbraw/zinc/05/28/62/939052862.db2.gz DWKMLHRIKIVDAT-UHFFFAOYSA-N 1 3 357.542 3.623 20 0 FHADHO COc1ccc(OC)c([C@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)c1 ZINC000658164354 939053131 /nfs/dbraw/zinc/05/31/31/939053131.db2.gz CRVDATYGWBMDME-KRWDZBQOSA-N 1 3 369.509 3.662 20 0 FHADHO Fc1cccc(C2CC([NH2+]CC3CCN(Cc4ccncc4)CC3)C2)c1 ZINC000658166694 939053679 /nfs/dbraw/zinc/05/36/79/939053679.db2.gz OBNFMLRGFNOALW-UHFFFAOYSA-N 1 3 353.485 3.969 20 0 FHADHO COc1ccc([C@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1OC ZINC000658167274 939055026 /nfs/dbraw/zinc/05/50/26/939055026.db2.gz RJSHLEDREDEVFR-KRWDZBQOSA-N 1 3 369.509 3.662 20 0 FHADHO COc1ccc([C@@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)c(OC)c1 ZINC000658168113 939055523 /nfs/dbraw/zinc/05/55/23/939055523.db2.gz RZMLDVFCKLNIJZ-QGZVFWFLSA-N 1 3 369.509 3.662 20 0 FHADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NCC(C)(C)[C@]2(O)CCCOC2)CC1 ZINC000658313711 939108379 /nfs/dbraw/zinc/10/83/79/939108379.db2.gz MOCJOKINQBBUAX-QFIPXVFZSA-N 1 3 368.606 3.823 20 0 FHADHO Cn1cc2c(n1)CCC[C@H]2[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000658316308 939109265 /nfs/dbraw/zinc/10/92/65/939109265.db2.gz DSCFYUADYBXNKG-PZJWPPBQSA-N 1 3 364.537 3.689 20 0 FHADHO c1cc2n(n1)CCC[C@H]2[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000658318658 939110294 /nfs/dbraw/zinc/11/02/94/939110294.db2.gz RLZYJGXXFRZCPN-WOJBJXKFSA-N 1 3 350.510 3.610 20 0 FHADHO Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000658320127 939110462 /nfs/dbraw/zinc/11/04/62/939110462.db2.gz NAPAWWYTTMROSU-YLJYHZDGSA-N 1 3 352.526 3.681 20 0 FHADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@H](O)[C@H](C)c2ccccc2)CC1 ZINC000658337911 939116035 /nfs/dbraw/zinc/11/60/35/939116035.db2.gz AUKQLFZDPNVWHZ-REHUZNOOSA-N 1 3 366.549 3.836 20 0 FHADHO C[C@H](c1ccccc1)[C@@H](O)CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000658338594 939116950 /nfs/dbraw/zinc/11/69/50/939116950.db2.gz FQIWGUBGVYPRPK-MWFZDGHISA-N 1 3 364.533 3.936 20 0 FHADHO C[C@H](c1ccccc1)[C@@H](O)CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000658338594 939116953 /nfs/dbraw/zinc/11/69/53/939116953.db2.gz FQIWGUBGVYPRPK-MWFZDGHISA-N 1 3 364.533 3.936 20 0 FHADHO C[C@H](O)[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1ccccc1 ZINC000658364230 939126607 /nfs/dbraw/zinc/12/66/07/939126607.db2.gz YLNSXSJZTXCOHL-MKCQOVQRSA-N 1 3 350.506 3.894 20 0 FHADHO c1cnn([C@@H]2CCCC[C@H]2[NH2+][C@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)c1 ZINC000507499286 945269530 /nfs/dbraw/zinc/26/95/30/945269530.db2.gz YIQPLLOXPVGEHP-IACLWVNRSA-N 1 3 364.537 3.867 20 0 FHADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(Cc2ccccc2Oc2cccnc2)CC1 ZINC000584472850 939997912 /nfs/dbraw/zinc/99/79/12/939997912.db2.gz HZSGCJRZLNFLPR-IFMALSPDSA-N 1 3 367.493 3.592 20 0 FHADHO CN(CCc1ccc(C(C)(C)C)cc1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000685847990 940456125 /nfs/dbraw/zinc/45/61/25/940456125.db2.gz ICDGTVQDBUQAGM-JOCHJYFZSA-N 1 3 357.586 3.627 20 0 FHADHO CN(CCc1ccc(C(C)(C)C)cc1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000685847990 940456128 /nfs/dbraw/zinc/45/61/28/940456128.db2.gz ICDGTVQDBUQAGM-JOCHJYFZSA-N 1 3 357.586 3.627 20 0 FHADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCc1c[nH]c2ccc(Br)cc12 ZINC000423029870 940949768 /nfs/dbraw/zinc/94/97/68/940949768.db2.gz IWKAOOVWHUWCJQ-BLLLJJGKSA-N 1 3 350.304 3.580 20 0 FHADHO COCc1cccc(OCC2(CN3CCC[C@@]4(CC[N@H+](C)C4)C3)CCC2)c1 ZINC000660664751 945368982 /nfs/dbraw/zinc/36/89/82/945368982.db2.gz SJMLJFVZJDIXNU-QFIPXVFZSA-N 1 3 372.553 3.800 20 0 FHADHO COCc1cccc(OCC2(CN3CCC[C@@]4(CC[N@@H+](C)C4)C3)CCC2)c1 ZINC000660664751 945368995 /nfs/dbraw/zinc/36/89/95/945368995.db2.gz SJMLJFVZJDIXNU-QFIPXVFZSA-N 1 3 372.553 3.800 20 0 FHADHO CCCN1CCN(c2ccccc2C[NH2+]CC2(CCOC)CCC2)CC1 ZINC000151956762 941145469 /nfs/dbraw/zinc/14/54/69/941145469.db2.gz CDFMBSMRUCGJOJ-UHFFFAOYSA-N 1 3 359.558 3.515 20 0 FHADHO CC[NH+](CC)CCN(Cc1cccs1)C(=O)C[C@H]1NCc2ccccc21 ZINC000659285227 941148453 /nfs/dbraw/zinc/14/84/53/941148453.db2.gz QPCQQTJPRYJCAL-HXUWFJFHSA-N 1 3 371.550 3.653 20 0 FHADHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000460344616 941564512 /nfs/dbraw/zinc/56/45/12/941564512.db2.gz CGIBMQRSOIYDBU-DJJWIGDXSA-N 1 3 371.569 3.522 20 0 FHADHO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)N[C@H](C[NH3+])C1CCCC1 ZINC000415044853 941568432 /nfs/dbraw/zinc/56/84/32/941568432.db2.gz CAVHBJPPRWIEBG-MLGOLLRUSA-N 1 3 357.420 3.530 20 0 FHADHO CN1CCCC[C@H]1CC[NH+]1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000472691842 941584269 /nfs/dbraw/zinc/58/42/69/941584269.db2.gz QKFUNGKXRAAFRD-IBGZPJMESA-N 1 3 353.514 3.526 20 0 FHADHO COc1cccc([C@@H](NC2CCC([NH3+])CC2)c2cc(F)ccc2OC)c1 ZINC000415085793 941596437 /nfs/dbraw/zinc/59/64/37/941596437.db2.gz QXHWUCBBKZWWCU-MYKUNDNFSA-N 1 3 358.457 3.792 20 0 FHADHO CC(C)(C)NCC[NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000415122154 941618265 /nfs/dbraw/zinc/61/82/65/941618265.db2.gz ZYOCCXILCXOQNT-UHFFFAOYSA-N 1 3 357.464 3.648 20 0 FHADHO [NH3+][C@H]1CCO[C@H](C2CCN(Cc3ccccc3OC3CCCC3)CC2)C1 ZINC000415124644 941620631 /nfs/dbraw/zinc/62/06/31/941620631.db2.gz MVQWNPUGAPKENF-UGKGYDQZSA-N 1 3 358.526 3.726 20 0 FHADHO COC1CCN(C(C)(C)C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC1 ZINC000513231110 941788349 /nfs/dbraw/zinc/78/83/49/941788349.db2.gz BTSXYFXVKUEYKU-TZIWHRDSSA-N 1 3 373.585 3.519 20 0 FHADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)c1ccnc2ccccc21 ZINC000431846719 941852538 /nfs/dbraw/zinc/85/25/38/941852538.db2.gz TYXIPMLARAHQEP-UHFFFAOYSA-N 1 3 366.553 3.867 20 0 FHADHO CC[NH2+]Cc1cccc(NC(=O)N(CCN(C)C)Cc2cccc(F)c2)c1 ZINC000415905358 942132289 /nfs/dbraw/zinc/13/22/89/942132289.db2.gz IDPVVGWUZBXXRG-UHFFFAOYSA-N 1 3 372.488 3.531 20 0 FHADHO C[NH2+]Cc1ccccc1NC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000415906045 942132993 /nfs/dbraw/zinc/13/29/93/942132993.db2.gz WHEKOLVCTRESIC-NRFANRHFSA-N 1 3 366.509 3.673 20 0 FHADHO CC[NH2+]Cc1cccc(NC(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)c1 ZINC000415905904 942133989 /nfs/dbraw/zinc/13/39/89/942133989.db2.gz JDBYDUSHAWTVHZ-UTKZUKDTSA-N 1 3 366.509 3.581 20 0 FHADHO CC[NH2+]Cc1cccc(NC(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)c1 ZINC000415923494 942153359 /nfs/dbraw/zinc/15/33/59/942153359.db2.gz VGTULYMVULCRFE-JXFKEZNVSA-N 1 3 354.498 3.609 20 0 FHADHO Cc1ccccc1O[C@H]1CCCC[C@@H]1[NH2+]CCCN1CCN(C(C)C)CC1 ZINC000502002657 942163799 /nfs/dbraw/zinc/16/37/99/942163799.db2.gz BALYZYOWDMDIPN-GMAHTHKFSA-N 1 3 373.585 3.691 20 0 FHADHO Cc1ccccc1O[C@H]1CCCC[C@H]1[NH2+]CCCN1CCN(C(C)C)CC1 ZINC000502002656 942163926 /nfs/dbraw/zinc/16/39/26/942163926.db2.gz BALYZYOWDMDIPN-GGAORHGYSA-N 1 3 373.585 3.691 20 0 FHADHO CC[NH2+]Cc1cccc(NC(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)c1 ZINC000415931339 942166498 /nfs/dbraw/zinc/16/64/98/942166498.db2.gz KTGYNOMTTQRZQE-UTKZUKDTSA-N 1 3 366.509 3.581 20 0 FHADHO CC[NH2+]Cc1ccccc1NC(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC000415963188 942201536 /nfs/dbraw/zinc/20/15/36/942201536.db2.gz YGZPGYQOHVASDT-UHFFFAOYSA-N 1 3 368.525 3.700 20 0 FHADHO c1[nH]nc2c1CC[C@@H]([NH2+][C@H]1CCCC[C@H]3CN(Cc4ccccc4)C[C@@H]31)C2 ZINC000513697679 942204531 /nfs/dbraw/zinc/20/45/31/942204531.db2.gz QNEGVVZQRGFQNF-LRSLUSHPSA-N 1 3 364.537 3.547 20 0 FHADHO C[NH2+]Cc1ccc(NC(=O)N(Cc2ccccc2)C2CCN(C)CC2)cc1 ZINC000415975719 942228355 /nfs/dbraw/zinc/22/83/55/942228355.db2.gz UIAYAEKLEHRVBP-UHFFFAOYSA-N 1 3 366.509 3.534 20 0 FHADHO CC[NH+]1CCC(N2CCCN(CCc3c(F)cccc3Cl)CC2)CC1 ZINC000420983993 942281999 /nfs/dbraw/zinc/28/19/99/942281999.db2.gz RTGJXXKLCBYFNY-UHFFFAOYSA-N 1 3 367.940 3.514 20 0 FHADHO CCc1nc(C(C)C)ccc1CN1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000420973404 942286118 /nfs/dbraw/zinc/28/61/18/942286118.db2.gz CIDCRWSOKLVGJB-UHFFFAOYSA-N 1 3 372.601 3.759 20 0 FHADHO CCc1nc(C(C)C)ccc1CN1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000420973404 942286121 /nfs/dbraw/zinc/28/61/21/942286121.db2.gz CIDCRWSOKLVGJB-UHFFFAOYSA-N 1 3 372.601 3.759 20 0 FHADHO CCN1CCC([N@@H+]2CCCN(CCCOc3cc(C)cc(C)c3)CC2)CC1 ZINC000421011255 942291020 /nfs/dbraw/zinc/29/10/20/942291020.db2.gz OYUKETVREKIRMJ-UHFFFAOYSA-N 1 3 373.585 3.564 20 0 FHADHO CCN1CCC([N@H+]2CCCN(CCCOc3cc(C)cc(C)c3)CC2)CC1 ZINC000421011255 942291026 /nfs/dbraw/zinc/29/10/26/942291026.db2.gz OYUKETVREKIRMJ-UHFFFAOYSA-N 1 3 373.585 3.564 20 0 FHADHO COc1cc(C)c(C[C@H](C)N[C@@H]2CC[N@H+](CC3CCCC3)C2)cc1OC ZINC000502292506 942337034 /nfs/dbraw/zinc/33/70/34/942337034.db2.gz XEMFHKGMQBKXNO-FXAWDEMLSA-N 1 3 360.542 3.797 20 0 FHADHO COc1cc(C)c(C[C@H](C)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)cc1OC ZINC000502292506 942337038 /nfs/dbraw/zinc/33/70/38/942337038.db2.gz XEMFHKGMQBKXNO-FXAWDEMLSA-N 1 3 360.542 3.797 20 0 FHADHO CC(C)N1CCC([NH2+][C@H]2CCOc3c(Br)cccc32)CC1 ZINC000502309041 942358278 /nfs/dbraw/zinc/35/82/78/942358278.db2.gz IJMSEQQMIBVFMK-INIZCTEOSA-N 1 3 353.304 3.735 20 0 FHADHO Cc1ncc(CN2CC[C@H]([NH2+]C3CCN(C(C)(C)C)CC3)[C@@H](C)C2)s1 ZINC000378184170 942365233 /nfs/dbraw/zinc/36/52/33/942365233.db2.gz MEVYBSMFVYSSOT-KXBFYZLASA-N 1 3 364.603 3.514 20 0 FHADHO Fc1ccccc1CC(Cc1ccccc1F)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414828199 942467459 /nfs/dbraw/zinc/46/74/59/942467459.db2.gz LOMJFIBKRNSBAM-UFRUDQCGSA-N 1 3 356.460 3.991 20 0 FHADHO FC(F)(F)c1ccc(-c2nc(CNCC[C@@H]3CC[NH2+]C3)cs2)cc1 ZINC000414839339 942549889 /nfs/dbraw/zinc/54/98/89/942549889.db2.gz WAQGQUYFJLZSIR-LBPRGKRZSA-N 1 3 355.429 3.918 20 0 FHADHO CCc1csc([C@H]2CCCN(C[C@H](C[NH3+])c3ccc(OC)cc3)C2)n1 ZINC000420323067 942608869 /nfs/dbraw/zinc/60/88/69/942608869.db2.gz TVMHGLYSKMLBLT-IRXDYDNUSA-N 1 3 359.539 3.636 20 0 FHADHO CCc1csc([C@H]2CCC[N@H+](C[C@H](CN)c3ccc(OC)cc3)C2)n1 ZINC000420323067 942608872 /nfs/dbraw/zinc/60/88/72/942608872.db2.gz TVMHGLYSKMLBLT-IRXDYDNUSA-N 1 3 359.539 3.636 20 0 FHADHO CCc1csc([C@H]2CCC[N@@H+](C[C@H](CN)c3ccc(OC)cc3)C2)n1 ZINC000420323067 942608875 /nfs/dbraw/zinc/60/88/75/942608875.db2.gz TVMHGLYSKMLBLT-IRXDYDNUSA-N 1 3 359.539 3.636 20 0 FHADHO COc1ccc(Br)cc1[C@H]1CCCN1CC[C@@H]1CC[NH2+]C1 ZINC000420299284 942610150 /nfs/dbraw/zinc/61/01/50/942610150.db2.gz IQDRXFVJICJMRT-XJKSGUPXSA-N 1 3 353.304 3.594 20 0 FHADHO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420340184 942623735 /nfs/dbraw/zinc/62/37/35/942623735.db2.gz MTDUBIPXOZSIRM-GBESFXJTSA-N 1 3 357.542 3.767 20 0 FHADHO Cc1cc(Cl)ccc1Oc1ccc(CN2CCC(O)(C[NH3+])CC2)cc1 ZINC000420409252 942665267 /nfs/dbraw/zinc/66/52/67/942665267.db2.gz YGHCLYRDEXVPQC-UHFFFAOYSA-N 1 3 360.885 3.726 20 0 FHADHO O=C(CCN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)Nc1cc(Cl)ccc1Cl ZINC000420409524 942665272 /nfs/dbraw/zinc/66/52/72/942665272.db2.gz XESHWCGJWBTYSZ-CXAGYDPISA-N 1 3 370.324 3.786 20 0 FHADHO Fc1ccc(SCCN2CCC(OCC[NH+]3CCCC3)CC2)c(F)c1 ZINC000659974635 942712295 /nfs/dbraw/zinc/71/22/95/942712295.db2.gz OGVZLJKOTFDDPI-UHFFFAOYSA-N 1 3 370.509 3.634 20 0 FHADHO CO[C@H](CN[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C)c1cccc(Cl)c1 ZINC000378405661 942732196 /nfs/dbraw/zinc/73/21/96/942732196.db2.gz SAVJAEMZWFJMJR-KCUHQSDYSA-N 1 3 366.933 3.507 20 0 FHADHO CO[C@H](CN[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C)c1cccc(Cl)c1 ZINC000378405661 942732200 /nfs/dbraw/zinc/73/22/00/942732200.db2.gz SAVJAEMZWFJMJR-KCUHQSDYSA-N 1 3 366.933 3.507 20 0 FHADHO Cc1ccc([C@H](CNC(=O)NCCCC[N@H+]2CCCC[C@H]2C)N(C)C)cc1 ZINC000514136803 942774830 /nfs/dbraw/zinc/77/48/30/942774830.db2.gz BBPTUJVCUAWINN-CTNGQTDRSA-N 1 3 374.573 3.552 20 0 FHADHO Cc1ccc([C@H](CNC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)N(C)C)cc1 ZINC000514136803 942774833 /nfs/dbraw/zinc/77/48/33/942774833.db2.gz BBPTUJVCUAWINN-CTNGQTDRSA-N 1 3 374.573 3.552 20 0 FHADHO C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc3c(c2)CNC3)[C@@H]1c1cccs1 ZINC000582050937 942916257 /nfs/dbraw/zinc/91/62/57/942916257.db2.gz QVDJKTDFGIIZSF-DNVCBOLYSA-N 1 3 370.522 3.556 20 0 FHADHO C[N@H+]1CCC[C@H](CNC(=O)Nc2ccc3c(c2)CNC3)[C@@H]1c1cccs1 ZINC000582050937 942916261 /nfs/dbraw/zinc/91/62/61/942916261.db2.gz QVDJKTDFGIIZSF-DNVCBOLYSA-N 1 3 370.522 3.556 20 0 FHADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CC1(N)CCCCCC1 ZINC000414857337 943029978 /nfs/dbraw/zinc/02/99/78/943029978.db2.gz CWYMVTXAGKAPFN-AWEZNQCLSA-N 1 3 367.921 3.707 20 0 FHADHO [NH3+]C[C@H]1CCN(Cc2ccc(-c3cccc(Br)c3)s2)C1 ZINC000414659100 943127179 /nfs/dbraw/zinc/12/71/79/943127179.db2.gz RTPHSVDYXZCRJA-GFCCVEGCSA-N 1 3 351.313 3.958 20 0 FHADHO Cc1nn(-c2ccc(Cl)cc2)c(C)c1CN1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000414674913 943200408 /nfs/dbraw/zinc/20/04/08/943200408.db2.gz SJPYTFYPDHVPQZ-YSSFQJQWSA-N 1 3 358.917 3.702 20 0 FHADHO Cc1nc(C[NH3+])ccc1[C@@H](C)NCc1ccc(OCc2ccccn2)cc1 ZINC000422700155 943236893 /nfs/dbraw/zinc/23/68/93/943236893.db2.gz BNVQKWXFIWYVMA-MRXNPFEDSA-N 1 3 362.477 3.674 20 0 FHADHO N[C@H]1C[C@H]([NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)c2ccccc21 ZINC000422699792 943237520 /nfs/dbraw/zinc/23/75/20/943237520.db2.gz BARWHGMEOKXRLH-SFTDATJTSA-N 1 3 357.448 3.664 20 0 FHADHO [NH3+][C@H]1C[C@H](NC2CCN(Cc3ccc(F)c(F)c3)CC2)c2ccccc21 ZINC000422699792 943237525 /nfs/dbraw/zinc/23/75/25/943237525.db2.gz BARWHGMEOKXRLH-SFTDATJTSA-N 1 3 357.448 3.664 20 0 FHADHO COc1ccc([C@H](CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)N2CCCC2)cc1 ZINC000422757811 943262271 /nfs/dbraw/zinc/26/22/71/943262271.db2.gz MZBYGCNZSDKACO-ODAXIHTASA-N 1 3 371.569 3.733 20 0 FHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H](C)Cc1cccc(Br)c1 ZINC000422758768 943263420 /nfs/dbraw/zinc/26/34/20/943263420.db2.gz JWRCVEJOWONGLK-STQMWFEESA-N 1 3 362.315 3.893 20 0 FHADHO COc1ccccc1[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)N1CCCC1 ZINC000422744044 943267892 /nfs/dbraw/zinc/26/78/92/943267892.db2.gz JRAUGNUAQDXQPF-NMIHRBCNSA-N 1 3 371.569 3.733 20 0 FHADHO COc1cccc(N2CCC[C@H](N[C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)C2)c1 ZINC000422768900 943275625 /nfs/dbraw/zinc/27/56/25/943275625.db2.gz VCCQKZCCQHVSQM-GUGJDKNPSA-N 1 3 357.542 3.564 20 0 FHADHO C[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)Oc1ccc(Br)cc1 ZINC000422797830 943287179 /nfs/dbraw/zinc/28/71/79/943287179.db2.gz OQVHCTPFNYLZKU-NKGKWGDASA-N 1 3 367.331 3.727 20 0 FHADHO C[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)Oc1ccc(Br)cc1 ZINC000422797831 943287358 /nfs/dbraw/zinc/28/73/58/943287358.db2.gz OQVHCTPFNYLZKU-XFKAJCMBSA-N 1 3 367.331 3.727 20 0 FHADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000422810659 943291735 /nfs/dbraw/zinc/29/17/35/943291735.db2.gz UNXLNTRNYDYECB-UONOGXRCSA-N 1 3 352.482 3.609 20 0 FHADHO C[C@H](C[NH2+][C@H]1C[C@@H](N)c2ccccc21)Oc1ccccc1Br ZINC000422841275 943301934 /nfs/dbraw/zinc/30/19/34/943301934.db2.gz VLNCNJRJDPHPEI-JLZZUVOBSA-N 1 3 361.283 3.951 20 0 FHADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000422850932 943305773 /nfs/dbraw/zinc/30/57/73/943305773.db2.gz WIPKCGCMAWYPKC-PXNSSMCTSA-N 1 3 355.457 3.685 20 0 FHADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@H](c1ccccc1)N1CCc2sccc2C1 ZINC000422883520 943317026 /nfs/dbraw/zinc/31/70/26/943317026.db2.gz QOXMLXDNDWHCGU-DUXKGJEZSA-N 1 3 369.578 3.825 20 0 FHADHO Cc1ccccc1C1(C[NH2+][C@H](C)c2ccc(CN)nc2C)CCOCC1 ZINC000422884556 943317709 /nfs/dbraw/zinc/31/77/09/943317709.db2.gz XHIIDCLOLDIJQO-QGZVFWFLSA-N 1 3 353.510 3.556 20 0 FHADHO C[C@H](NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)c1cnccc1N ZINC000422889986 943319350 /nfs/dbraw/zinc/31/93/50/943319350.db2.gz HECBQSXPRGKIAD-KSZLIROESA-N 1 3 352.526 3.823 20 0 FHADHO C[C@H](NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cnccc1N ZINC000422889986 943319353 /nfs/dbraw/zinc/31/93/53/943319353.db2.gz HECBQSXPRGKIAD-KSZLIROESA-N 1 3 352.526 3.823 20 0 FHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCc1ccc(OC(F)(F)F)cc1 ZINC000422890067 943319387 /nfs/dbraw/zinc/31/93/87/943319387.db2.gz HUMDALNPKWVAQE-LBPRGKRZSA-N 1 3 353.388 3.641 20 0 FHADHO COc1cc2[nH]c(CCCN[C@H]3C[C@@H]([NH3+])c4ccccc43)cc2c(OC)c1 ZINC000422870277 943320738 /nfs/dbraw/zinc/32/07/38/943320738.db2.gz XNGOOOBRPAVJOU-UXHICEINSA-N 1 3 365.477 3.852 20 0 FHADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000422873650 943322621 /nfs/dbraw/zinc/32/26/21/943322621.db2.gz AWLLWZATLOGUCF-ZIAGYGMSSA-N 1 3 367.497 3.544 20 0 FHADHO c1sc(CCN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)nc1-c1ccncc1 ZINC000422907741 943327118 /nfs/dbraw/zinc/32/71/18/943327118.db2.gz CHEDNOUKDFMXJJ-OKZBNKHCSA-N 1 3 356.539 3.648 20 0 FHADHO CC(C)(CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)c1c(F)cccc1Cl ZINC000422916843 943330188 /nfs/dbraw/zinc/33/01/88/943330188.db2.gz BQXAAXKXGSDOKM-IAOVAPTHSA-N 1 3 354.897 3.503 20 0 FHADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCc1ccccc1OC(F)(F)F ZINC000422924332 943332463 /nfs/dbraw/zinc/33/24/63/943332463.db2.gz AODUUYMEYZANLX-YOEHRIQHSA-N 1 3 352.400 3.676 20 0 FHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H](C(C)C)N1CCc2ccccc2C1 ZINC000422936996 943338474 /nfs/dbraw/zinc/33/84/74/943338474.db2.gz IZAIREYQRQAUSX-GAJHUEQPSA-N 1 3 366.553 3.582 20 0 FHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCc1ccc(F)c(Br)c1 ZINC000422940165 943339108 /nfs/dbraw/zinc/33/91/08/943339108.db2.gz SEXMQZUXVTYMAR-LLVKDONJSA-N 1 3 366.278 3.644 20 0 FHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H](C)Cc1ccc(Br)cc1 ZINC000422943176 943340444 /nfs/dbraw/zinc/34/04/44/943340444.db2.gz QMAMANBQWPMKHG-STQMWFEESA-N 1 3 362.315 3.893 20 0 FHADHO C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]Cc1ccnc(OCc2ccccc2)c1 ZINC000422966523 943343500 /nfs/dbraw/zinc/34/35/00/943343500.db2.gz AKQWOYYYXYPUJM-XMSQKQJNSA-N 1 3 361.489 3.709 20 0 FHADHO C[N@@H+]1CCC[C@@H](CNCc2ccc3[nH]c(=O)[nH]c3c2)[C@@H]1c1cccs1 ZINC000641728674 943345306 /nfs/dbraw/zinc/34/53/06/943345306.db2.gz FOKLIBHOPTUKRZ-KBXCAEBGSA-N 1 3 356.495 3.503 20 0 FHADHO C[N@H+]1CCC[C@@H](CNCc2ccc3[nH]c(=O)[nH]c3c2)[C@@H]1c1cccs1 ZINC000641728674 943345310 /nfs/dbraw/zinc/34/53/10/943345310.db2.gz FOKLIBHOPTUKRZ-KBXCAEBGSA-N 1 3 356.495 3.503 20 0 FHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCCO[C@H]1CCCc2ccccc21 ZINC000422981302 943357340 /nfs/dbraw/zinc/35/73/40/943357340.db2.gz NSCCBSDUPXYQJE-ZHRRBRCNSA-N 1 3 353.510 3.984 20 0 FHADHO COc1cc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c(-c2ccccc2)cc1OC ZINC000435377642 943357913 /nfs/dbraw/zinc/35/79/13/943357913.db2.gz DWDNAAHMNWTXPH-FFZOFVMBSA-N 1 3 352.478 3.540 20 0 FHADHO Clc1ccccc1OCCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423003649 943362359 /nfs/dbraw/zinc/36/23/59/943362359.db2.gz MRNPWPZYUXFHCE-PXNSSMCTSA-N 1 3 358.869 3.564 20 0 FHADHO CCN(CC)[C@@H](CNC(=O)C[C@H](c1ccccc1)[NH+](C)C)c1ccsc1 ZINC000431923793 943365406 /nfs/dbraw/zinc/36/54/06/943365406.db2.gz OADPNQPUSTVZDH-UXHICEINSA-N 1 3 373.566 3.940 20 0 FHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000423022513 943367548 /nfs/dbraw/zinc/36/75/48/943367548.db2.gz HYJNUSGNQZVXIW-DZGCQCFKSA-N 1 3 362.880 3.571 20 0 FHADHO [NH3+][C@@H]1CC[C@H]2CN(Cc3cccc(NC(=O)c4ccc(Cl)cc4)c3)C[C@H]12 ZINC000435381696 943369413 /nfs/dbraw/zinc/36/94/13/943369413.db2.gz VITGFUUEAUXWGD-FFZOFVMBSA-N 1 3 369.896 3.761 20 0 FHADHO FC(F)(F)c1ccc([C@H]2C[C@H](N[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000423094556 943392177 /nfs/dbraw/zinc/39/21/77/943392177.db2.gz KJXQOSBQHYJSGL-RXABAKJHSA-N 1 3 368.443 3.698 20 0 FHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H](Cc1ccccc1)C(F)(F)F ZINC000423123896 943398666 /nfs/dbraw/zinc/39/86/66/943398666.db2.gz NPSGIVSEIZCIEC-CJNGLKHVSA-N 1 3 351.416 3.921 20 0 FHADHO CC(C)Oc1ccc([C@H](C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)N)N(C)C)cc1 ZINC000423127859 943399574 /nfs/dbraw/zinc/39/95/74/943399574.db2.gz PTAADZFSTOYVEQ-LEOXJPRUSA-N 1 3 369.553 3.625 20 0 FHADHO CC(C)Oc1ccc([C@H](CN[C@@H](Cc2ccccc2)[C@@H](C)[NH3+])N(C)C)cc1 ZINC000423127859 943399580 /nfs/dbraw/zinc/39/95/80/943399580.db2.gz PTAADZFSTOYVEQ-LEOXJPRUSA-N 1 3 369.553 3.625 20 0 FHADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000423139871 943417199 /nfs/dbraw/zinc/41/71/99/943417199.db2.gz WSPRPUNDGJIXMD-ZIAGYGMSSA-N 1 3 353.445 3.585 20 0 FHADHO CC[N@H+](CCC1CCN(Cc2cnc3ccccc3n2)CC1)CC1CC1 ZINC000660168419 943419795 /nfs/dbraw/zinc/41/97/95/943419795.db2.gz QATRZCRQFAKKQW-UHFFFAOYSA-N 1 3 352.526 3.964 20 0 FHADHO CC[N@@H+](CCC1CCN(Cc2cnc3ccccc3n2)CC1)CC1CC1 ZINC000660168419 943419799 /nfs/dbraw/zinc/41/97/99/943419799.db2.gz QATRZCRQFAKKQW-UHFFFAOYSA-N 1 3 352.526 3.964 20 0 FHADHO Brc1ccc2c(c1)[C@@H](NCCC[NH2+]Cc1cccnc1)CC2 ZINC000423181830 943430583 /nfs/dbraw/zinc/43/05/83/943430583.db2.gz DCJJGZZFUKNLTJ-SFHVURJKSA-N 1 3 360.299 3.601 20 0 FHADHO Brc1cccc([C@@H](NC[C@@H]2CCC[NH2+]C2)C2CCOCC2)c1 ZINC000423206077 943430716 /nfs/dbraw/zinc/43/07/16/943430716.db2.gz FSPTVABHYKBLJU-KDOFPFPSSA-N 1 3 367.331 3.506 20 0 FHADHO COc1ccc(C[C@@H](NC[C@@H]2CCC[NH2+]C2)c2ccc(OC)cc2)cc1 ZINC000423206041 943430746 /nfs/dbraw/zinc/43/07/46/943430746.db2.gz FPZBOMMNWZBOFH-XMSQKQJNSA-N 1 3 354.494 3.577 20 0 FHADHO Clc1ccccc1[C@@H](NCC[C@@H]1CC[NH2+]C1)c1ccc2c(c1)OCCO2 ZINC000423243060 943456893 /nfs/dbraw/zinc/45/68/93/943456893.db2.gz GDHVOBNKJUVIGP-BTYIYWSLSA-N 1 3 372.896 3.790 20 0 FHADHO C[NH2+]C[C@@H](C)CN[C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000423283157 943463492 /nfs/dbraw/zinc/46/34/92/943463492.db2.gz XJNBSWVSPFGWKB-BDJLRTHQSA-N 1 3 350.304 3.753 20 0 FHADHO COc1ccc([C@H](NCC2=CC[NH2+]CC2)C(C)C)c(Br)c1 ZINC000423364057 943492503 /nfs/dbraw/zinc/49/25/03/943492503.db2.gz YWWMBGABPQUBPM-QGZVFWFLSA-N 1 3 353.304 3.664 20 0 FHADHO C[C@@H]1C[NH2+]CC[C@H]1N[C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000423403844 943507468 /nfs/dbraw/zinc/50/74/68/943507468.db2.gz SGKOSHGWGZIODC-RGYTYGDFSA-N 1 3 362.315 3.895 20 0 FHADHO Fc1ccc([C@@H]2CCNC[C@@H]2C[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)cc1 ZINC000423471474 943524869 /nfs/dbraw/zinc/52/48/69/943524869.db2.gz MCXYUSKGBJOSHQ-XUJOWKJQSA-N 1 3 360.517 3.704 20 0 FHADHO Fc1ccc([C@@H]2CCNC[C@@H]2C[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)cc1 ZINC000423483088 943533144 /nfs/dbraw/zinc/53/31/44/943533144.db2.gz YEWJSIVRXCZPLV-OPNZPCBVSA-N 1 3 360.517 3.704 20 0 FHADHO CCN1CC[C@H]([NH2+]CC[C@H]2CCCCN2C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000549475057 943741435 /nfs/dbraw/zinc/74/14/35/943741435.db2.gz CEINWNYWAPYGCX-BPAFIMBUSA-N 1 3 369.475 3.703 20 0 FHADHO CN(c1ccccc1)c1ccc(C[NH2+]C2CCN(C3CCC3)CC2)cn1 ZINC000435785602 943770603 /nfs/dbraw/zinc/77/06/03/943770603.db2.gz PANJPNGXMZAALJ-UHFFFAOYSA-N 1 3 350.510 3.956 20 0 FHADHO CC(C)N1CCN(C2CC[NH+](C[C@@]3(C)C[C@@H]3c3ccccc3)CC2)CC1 ZINC000638151245 943852312 /nfs/dbraw/zinc/85/23/12/943852312.db2.gz BKQSACZUARSWFD-DHIUTWEWSA-N 1 3 355.570 3.671 20 0 FHADHO C[C@@H]1CN(CCCC[NH2+][C@H](Cc2ccncc2)c2cccs2)C[C@H](C)O1 ZINC000424306233 943853067 /nfs/dbraw/zinc/85/30/67/943853067.db2.gz USOSHOLRBXGFFT-WSTZPKSXSA-N 1 3 373.566 3.906 20 0 FHADHO CCN(C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)[C@H]1CCCC[C@H]1C ZINC000516979991 943881443 /nfs/dbraw/zinc/88/14/43/943881443.db2.gz UGEFMJBHTYNYIS-NQIIRXRSSA-N 1 3 363.590 3.610 20 0 FHADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1ccc(OC(F)F)c(Br)c1 ZINC000414792437 943946687 /nfs/dbraw/zinc/94/66/87/943946687.db2.gz CIEOKAPFJUAZCT-AAEUAGOBSA-N 1 3 363.246 3.658 20 0 FHADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2ccc(-c3ccccc3)cc2F)CC1 ZINC000414797904 943990639 /nfs/dbraw/zinc/99/06/39/943990639.db2.gz YYZUDYKMWBHTIS-YADHBBJMSA-N 1 3 354.469 3.821 20 0 FHADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@]3(CCCc4ccccc43)C2)CC1 ZINC000500072828 944050105 /nfs/dbraw/zinc/05/01/05/944050105.db2.gz IKQCWKVIKPULAI-DEOSSOPVSA-N 1 3 369.597 3.773 20 0 FHADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@]3(CCCc4ccccc43)C2)CC1 ZINC000500072828 944050115 /nfs/dbraw/zinc/05/01/15/944050115.db2.gz IKQCWKVIKPULAI-DEOSSOPVSA-N 1 3 369.597 3.773 20 0 FHADHO CCOc1cc(CNCc2ccc([C@@H](C)[NH3+])cc2)ccc1OC(F)F ZINC000414808547 944071217 /nfs/dbraw/zinc/07/12/17/944071217.db2.gz KYVJHKYKMFQWMW-CYBMUJFWSA-N 1 3 350.409 3.996 20 0 FHADHO Clc1cccc(CCNCc2cc(C3CC[NH2+]CC3)no2)c1Cl ZINC000425893694 944108499 /nfs/dbraw/zinc/10/84/99/944108499.db2.gz DTLGEFZORAPCON-UHFFFAOYSA-N 1 3 354.281 3.781 20 0 FHADHO Cc1ccc([C@H]2CCC[C@H]2[N@@H+](C)CCCN2CCN(C(C)C)CC2)cc1 ZINC000500116944 944123203 /nfs/dbraw/zinc/12/32/03/944123203.db2.gz PIAURPGFSADTIQ-DHIUTWEWSA-N 1 3 357.586 3.979 20 0 FHADHO Cc1ccc([C@H]2CCC[C@H]2[N@H+](C)CCCN2CCN(C(C)C)CC2)cc1 ZINC000500116944 944123208 /nfs/dbraw/zinc/12/32/08/944123208.db2.gz PIAURPGFSADTIQ-DHIUTWEWSA-N 1 3 357.586 3.979 20 0 FHADHO c1cc(-c2n[nH]cc2CNC2CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000436276140 944173809 /nfs/dbraw/zinc/17/38/09/944173809.db2.gz RTNQSSUQKFCCTI-UHFFFAOYSA-N 1 3 352.507 3.892 20 0 FHADHO CCN1CCN(c2ccccc2C[NH2+][C@H]2CCCc3cc(N)ccc32)CC1 ZINC000414921619 944316316 /nfs/dbraw/zinc/31/63/16/944316316.db2.gz DYBHPOARUJLFFG-QFIPXVFZSA-N 1 3 364.537 3.578 20 0 FHADHO CCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000111661249 944384294 /nfs/dbraw/zinc/38/42/94/944384294.db2.gz KXFGVFQQXODXEC-QFIPXVFZSA-N 1 3 371.569 3.622 20 0 FHADHO CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000111661249 944384301 /nfs/dbraw/zinc/38/43/01/944384301.db2.gz KXFGVFQQXODXEC-QFIPXVFZSA-N 1 3 371.569 3.622 20 0 FHADHO Cc1ccc(NC(=O)C[C@H](C)NC[C@@H]2CC[N@@H+](C(C)C)C2)c(Cl)c1 ZINC000516118024 944501549 /nfs/dbraw/zinc/50/15/49/944501549.db2.gz QSBJXNOJTQTLAH-HOTGVXAUSA-N 1 3 351.922 3.685 20 0 FHADHO Cc1ccc(NC(=O)C[C@H](C)NC[C@@H]2CC[N@H+](C(C)C)C2)c(Cl)c1 ZINC000516118024 944501551 /nfs/dbraw/zinc/50/15/51/944501551.db2.gz QSBJXNOJTQTLAH-HOTGVXAUSA-N 1 3 351.922 3.685 20 0 FHADHO Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCN(C(C)C)C2)c(Cl)c1 ZINC000516118024 944501555 /nfs/dbraw/zinc/50/15/55/944501555.db2.gz QSBJXNOJTQTLAH-HOTGVXAUSA-N 1 3 351.922 3.685 20 0 FHADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@]2(CC)OCCc3ccccc32)[C@H](C)C1 ZINC000516219330 944582304 /nfs/dbraw/zinc/58/23/04/944582304.db2.gz ZZQGZPNPUOSFCE-WTIAFYNJSA-N 1 3 374.569 3.591 20 0 FHADHO CCOCCC[N@H+]1CC[C@H](NC[C@@]2(CC)OCCc3ccccc32)[C@H](C)C1 ZINC000516219330 944582306 /nfs/dbraw/zinc/58/23/06/944582306.db2.gz ZZQGZPNPUOSFCE-WTIAFYNJSA-N 1 3 374.569 3.591 20 0 FHADHO CCOCCC[N@@H+]1CC[C@H](NC[C@]2(CC)OCCc3ccccc32)[C@H](C)C1 ZINC000516219328 944582430 /nfs/dbraw/zinc/58/24/30/944582430.db2.gz ZZQGZPNPUOSFCE-OIBXWCBGSA-N 1 3 374.569 3.591 20 0 FHADHO CCOCCC[N@H+]1CC[C@H](NC[C@]2(CC)OCCc3ccccc32)[C@H](C)C1 ZINC000516219328 944582433 /nfs/dbraw/zinc/58/24/33/944582433.db2.gz ZZQGZPNPUOSFCE-OIBXWCBGSA-N 1 3 374.569 3.591 20 0 FHADHO CC[C@@H]1CN(Cc2ccccc2C[N@@H+]2CCCO[C@H](CC)C2)CCCO1 ZINC000439470756 944649684 /nfs/dbraw/zinc/64/96/84/944649684.db2.gz DQYKDPDRTLISGP-FGZHOGPDSA-N 1 3 360.542 3.688 20 0 FHADHO CC[C@@H]1CN(Cc2ccccc2C[N@H+]2CCCO[C@H](CC)C2)CCCO1 ZINC000439470756 944649690 /nfs/dbraw/zinc/64/96/90/944649690.db2.gz DQYKDPDRTLISGP-FGZHOGPDSA-N 1 3 360.542 3.688 20 0 FHADHO CCN(CC)[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)c1ccsc1 ZINC000438572764 944789197 /nfs/dbraw/zinc/78/91/97/944789197.db2.gz GKYGZVWRVWOCHG-RTBURBONSA-N 1 3 363.571 3.654 20 0 FHADHO CCN(CC)[C@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)c1ccsc1 ZINC000438572764 944789208 /nfs/dbraw/zinc/78/92/08/944789208.db2.gz GKYGZVWRVWOCHG-RTBURBONSA-N 1 3 363.571 3.654 20 0 FHADHO COc1cncc(/C=C/CC[NH+]2CCC(NCc3ccccc3)CC2)c1 ZINC000660680631 945380731 /nfs/dbraw/zinc/38/07/31/945380731.db2.gz UZVSTRCVGFWUBK-WEVVVXLNSA-N 1 3 351.494 3.748 20 0 FHADHO CN(C)Cc1cccc(NC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000044291974 945586365 /nfs/dbraw/zinc/58/63/65/945586365.db2.gz GECUPVRPUSSXHC-OAQYLSRUSA-N 1 3 366.509 3.707 20 0 FHADHO COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)ccc1OCc1ccccc1 ZINC000192611828 945745483 /nfs/dbraw/zinc/74/54/83/945745483.db2.gz UGXAKDWJNZOEAG-SEJPIABJSA-N 1 3 366.505 3.989 20 0 FHADHO CCCCN1CCC([NH2+][C@H](C)c2ccc(OCc3nccn3C)cc2)CC1 ZINC000164458686 946418660 /nfs/dbraw/zinc/41/86/60/946418660.db2.gz RGLWFHUJGDSIMV-GOSISDBHSA-N 1 3 370.541 3.914 20 0 FHADHO CC(C)C[C@@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)N(C)C)c1cccs1 ZINC000475129136 946434867 /nfs/dbraw/zinc/43/48/67/946434867.db2.gz LMULYIZOWSVLGC-MOPGFXCFSA-N 1 3 373.566 3.844 20 0 FHADHO C[C@@H]1CCC[C@@](CNC(=O)c2cccc(CN3CCCC3)c2)([NH+](C)C)C1 ZINC000520368264 946467299 /nfs/dbraw/zinc/46/72/99/946467299.db2.gz AEXOWNIUQIEFAC-XMSQKQJNSA-N 1 3 357.542 3.523 20 0 FHADHO Cc1ccc(-c2ccc(C[NH2+]CCN3CCN(C)C(C)(C)C3)s2)cc1 ZINC000441351321 946467331 /nfs/dbraw/zinc/46/73/31/946467331.db2.gz SAHQAKSBENUSHX-UHFFFAOYSA-N 1 3 357.567 3.839 20 0 FHADHO CC1CC[NH+](Cc2ccc(NC(=O)C[C@@H](N)c3ccccc3)cc2)CC1 ZINC000119451250 946784485 /nfs/dbraw/zinc/78/44/85/946784485.db2.gz VQGSBGFXIONBLU-OAQYLSRUSA-N 1 3 351.494 3.947 20 0 FHADHO Fc1ccc(-n2nccc2C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000475283865 946822264 /nfs/dbraw/zinc/82/22/64/946822264.db2.gz XDCYLDVAKPHENP-IBGZPJMESA-N 1 3 364.468 3.623 20 0 FHADHO c1ccc(-c2noc(C3CCN(Cc4ccc5c(c4)C[NH2+]CC5)CC3)n2)cc1 ZINC000652337749 946844417 /nfs/dbraw/zinc/84/44/17/946844417.db2.gz JASWXOZIUQNBCH-UHFFFAOYSA-N 1 3 374.488 3.762 20 0 FHADHO CC(C)Oc1ccc(CN2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1Cl ZINC000652350355 946895231 /nfs/dbraw/zinc/89/52/31/946895231.db2.gz UMPZDEBXEFFIRW-ABSDTBQOSA-N 1 3 366.933 3.846 20 0 FHADHO c1ccc(CN2CC[C@@H](C[NH2+]C3CCN(Cc4ccccc4)CC3)C2)cc1 ZINC000192929850 947108509 /nfs/dbraw/zinc/10/85/09/947108509.db2.gz NHKBFHBOFOSMBV-QHCPKHFHSA-N 1 3 363.549 3.763 20 0 FHADHO Cc1ccc2cc(C[NH2+]Cc3ccc(CN4CCN(C)CC4)cc3)ccc2n1 ZINC000189265251 947683214 /nfs/dbraw/zinc/68/32/14/947683214.db2.gz JUHXPUKHFWHZPQ-UHFFFAOYSA-N 1 3 374.532 3.580 20 0 FHADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2cccc3c2CNC3)cc1 ZINC000662389705 947775377 /nfs/dbraw/zinc/77/53/77/947775377.db2.gz ZOXCNTUOWHODQF-QGZVFWFLSA-N 1 3 363.505 3.594 20 0 FHADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2cccc3c2CNC3)cc1 ZINC000662389705 947775385 /nfs/dbraw/zinc/77/53/85/947775385.db2.gz ZOXCNTUOWHODQF-QGZVFWFLSA-N 1 3 363.505 3.594 20 0 FHADHO CCN(C(=O)c1cccc2c1CNC2)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000662503452 947873640 /nfs/dbraw/zinc/87/36/40/947873640.db2.gz UISGBFOBUSEULT-PXNSSMCTSA-N 1 3 363.505 3.587 20 0 FHADHO CCN(C(=O)c1cccc2c1CNC2)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000662503452 947873644 /nfs/dbraw/zinc/87/36/44/947873644.db2.gz UISGBFOBUSEULT-PXNSSMCTSA-N 1 3 363.505 3.587 20 0 FHADHO CCc1cc(OC)ccc1CNCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000500442138 947878860 /nfs/dbraw/zinc/87/88/60/947878860.db2.gz SLARCJKRLXXKQQ-QFIPXVFZSA-N 1 3 368.521 3.504 20 0 FHADHO CCc1cc(OC)ccc1CNCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000500442138 947878869 /nfs/dbraw/zinc/87/88/69/947878869.db2.gz SLARCJKRLXXKQQ-QFIPXVFZSA-N 1 3 368.521 3.504 20 0 FHADHO CCc1ccccc1NC(=O)C[C@H](C)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663467514 948053905 /nfs/dbraw/zinc/05/39/05/948053905.db2.gz GLIYCMXSZHUIEX-PKOBYXMFSA-N 1 3 357.542 3.678 20 0 FHADHO CCc1ccccc1NC(=O)C[C@H](C)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467514 948053913 /nfs/dbraw/zinc/05/39/13/948053913.db2.gz GLIYCMXSZHUIEX-PKOBYXMFSA-N 1 3 357.542 3.678 20 0 FHADHO CCc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663467514 948053919 /nfs/dbraw/zinc/05/39/19/948053919.db2.gz GLIYCMXSZHUIEX-PKOBYXMFSA-N 1 3 357.542 3.678 20 0 FHADHO Cc1nccn1-c1ccc([C@@H](C)NC[C@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000663469867 948064214 /nfs/dbraw/zinc/06/42/14/948064214.db2.gz RGKCXVAMOGKZIR-YLJYHZDGSA-N 1 3 352.526 3.953 20 0 FHADHO Cc1nccn1-c1ccc([C@@H](C)NC[C@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663469867 948064224 /nfs/dbraw/zinc/06/42/24/948064224.db2.gz RGKCXVAMOGKZIR-YLJYHZDGSA-N 1 3 352.526 3.953 20 0 FHADHO CC[C@H]1CN([C@@H](C)CCC[NH+](CC)CC)CCN1C(=O)OC(C)(C)C ZINC001167827289 948139373 /nfs/dbraw/zinc/13/93/73/948139373.db2.gz VQQYSPOOPSQDEF-ROUUACIJSA-N 1 3 355.567 3.828 20 0 FHADHO CCN(CC)[C@@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1)c1ccsc1 ZINC000520515764 948218378 /nfs/dbraw/zinc/21/83/78/948218378.db2.gz DSCIQZMNIWYOOH-OALUTQOASA-N 1 3 365.587 3.758 20 0 FHADHO COc1ccc2cc([C@H](C)NCCC[N@@H+]3CCCO[C@@H](C)C3)ccc2c1 ZINC000432414965 948365107 /nfs/dbraw/zinc/36/51/07/948365107.db2.gz AYZXDOYMNHONEG-ROUUACIJSA-N 1 3 356.510 4.000 20 0 FHADHO COc1ccc2cc([C@H](C)NCCC[N@H+]3CCCO[C@@H](C)C3)ccc2c1 ZINC000432414965 948365110 /nfs/dbraw/zinc/36/51/10/948365110.db2.gz AYZXDOYMNHONEG-ROUUACIJSA-N 1 3 356.510 4.000 20 0 FHADHO COc1ccc2c(c1)[C@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)CCCS2 ZINC000432419203 948375135 /nfs/dbraw/zinc/37/51/35/948375135.db2.gz ZWEPRAYLXHUVBH-QFBILLFUSA-N 1 3 364.555 3.713 20 0 FHADHO COc1ccc2c(c1)[C@H](NCCC[N@H+]1CCCO[C@@H](C)C1)CCCS2 ZINC000432419203 948375137 /nfs/dbraw/zinc/37/51/37/948375137.db2.gz ZWEPRAYLXHUVBH-QFBILLFUSA-N 1 3 364.555 3.713 20 0 FHADHO Cc1ccc([C@H](CNC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)N2CCCC2)cc1 ZINC000512094203 948405318 /nfs/dbraw/zinc/40/53/18/948405318.db2.gz HOWBLWNHABKCNM-JTJHWIPRSA-N 1 3 357.542 3.509 20 0 FHADHO Cc1ccc([C@H](CNC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)N2CCCC2)cc1 ZINC000512094203 948405322 /nfs/dbraw/zinc/40/53/22/948405322.db2.gz HOWBLWNHABKCNM-JTJHWIPRSA-N 1 3 357.542 3.509 20 0 FHADHO Cc1c([C@H](C)[NH2+]C[C@@H]2CCN(C3CC3)C2)cnn1-c1cccc(Cl)c1 ZINC000152372422 948424864 /nfs/dbraw/zinc/42/48/64/948424864.db2.gz MTSXIWLSHLGSGN-HOCLYGCPSA-N 1 3 358.917 3.969 20 0 FHADHO C[C@H]1C[N@H+](CCCN[C@H]2CCc3ccc(OC(F)(F)F)cc32)CCCO1 ZINC000432441095 948434270 /nfs/dbraw/zinc/43/42/70/948434270.db2.gz JONUQWJOUWUXER-KSSFIOAISA-N 1 3 372.431 3.663 20 0 FHADHO C[C@H]1C[N@@H+](CCCN[C@H]2CCc3ccc(OC(F)(F)F)cc32)CCCO1 ZINC000432441095 948434273 /nfs/dbraw/zinc/43/42/73/948434273.db2.gz JONUQWJOUWUXER-KSSFIOAISA-N 1 3 372.431 3.663 20 0 FHADHO CCOC(=O)[C@@H]1CC[C@H](NCc2cccc3c2CC[NH2+]C3)c2ccccc21 ZINC000602019031 567901541 /nfs/dbraw/zinc/90/15/41/567901541.db2.gz DNPKYRFGSWBTBJ-YADHBBJMSA-N 1 3 364.489 3.604 20 0 FHADHO C[C@@H]([NH2+]CCCCCCC[NH+]1CCCC1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824584709 609141280 /nfs/dbraw/zinc/14/12/80/609141280.db2.gz FIOQMUIAZFRAES-MRXNPFEDSA-N 1 3 374.508 3.703 20 0 FHADHO C[C@@H]([NH2+]CCCCCCC[NH+]1CCCC1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824584709 609141282 /nfs/dbraw/zinc/14/12/82/609141282.db2.gz FIOQMUIAZFRAES-MRXNPFEDSA-N 1 3 374.508 3.703 20 0 FHADHO Cc1cc(C)nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165027674 721800876 /nfs/dbraw/zinc/80/08/76/721800876.db2.gz XGACAQNEJTUVTF-CEWLAPEOSA-N 1 3 350.510 3.830 20 0 FHADHO Cc1cc(C)nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165027674 721800878 /nfs/dbraw/zinc/80/08/78/721800878.db2.gz XGACAQNEJTUVTF-CEWLAPEOSA-N 1 3 350.510 3.830 20 0 FHADHO C[C@H](NCc1cccc(C[NH+](C)C)c1)c1cccc(N2CCOC2=O)c1 ZINC000123587711 937161812 /nfs/dbraw/zinc/16/18/12/937161812.db2.gz SGFFLJDBTPDVSZ-INIZCTEOSA-N 1 3 353.466 3.556 20 0 FHADHO C[C@@H]1C[N@H+](CCCN[C@H]2CCc3c2cccc3Br)CCCO1 ZINC000558408334 928539660 /nfs/dbraw/zinc/53/96/60/928539660.db2.gz BTDBBLVZITYDTQ-KDOFPFPSSA-N 1 3 367.331 3.527 20 0 FHADHO C[C@@H]1C[N@@H+](CCCN[C@H]2CCc3c2cccc3Br)CCCO1 ZINC000558408334 928539665 /nfs/dbraw/zinc/53/96/65/928539665.db2.gz BTDBBLVZITYDTQ-KDOFPFPSSA-N 1 3 367.331 3.527 20 0 FHADHO COc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1Br ZINC000037105912 928997126 /nfs/dbraw/zinc/99/71/26/928997126.db2.gz DEOCDFNZISDNBQ-PRTUASRFSA-N 1 3 353.304 3.734 20 0 FHADHO c1ccc(CN2CC3(C2)CC[NH+](CCc2ccc4c(c2)CCO4)CC3)cc1 ZINC001209148700 929348464 /nfs/dbraw/zinc/34/84/64/929348464.db2.gz JYYXZNCPMROFKO-UHFFFAOYSA-N 1 3 362.517 3.762 20 0 FHADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@]2(C)Cc2cccc(F)c2)CC1 ZINC000580190014 930350621 /nfs/dbraw/zinc/35/06/21/930350621.db2.gz BDHZXIDLXPJAIS-QFIPXVFZSA-N 1 3 361.549 3.639 20 0 FHADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@]2(C)Cc2cccc(F)c2)CC1 ZINC000580190014 930350626 /nfs/dbraw/zinc/35/06/26/930350626.db2.gz BDHZXIDLXPJAIS-QFIPXVFZSA-N 1 3 361.549 3.639 20 0 FHADHO C[C@@H](NCCOCC[NH+](C)C)c1ccc2ccccc2c1OC(F)F ZINC000580280100 930433134 /nfs/dbraw/zinc/43/31/34/930433134.db2.gz YHPRWNAPZJRUNB-CQSZACIVSA-N 1 3 352.425 3.670 20 0 FHADHO c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2CCCc2ccncc2)cc1 ZINC000656403632 931592052 /nfs/dbraw/zinc/59/20/52/931592052.db2.gz BUAXKVMBZUCQNZ-KEZOAJOQSA-N 1 3 361.533 3.857 20 0 FHADHO c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2CCCc2ccncc2)cc1 ZINC000656403632 931592059 /nfs/dbraw/zinc/59/20/59/931592059.db2.gz BUAXKVMBZUCQNZ-KEZOAJOQSA-N 1 3 361.533 3.857 20 0 FHADHO CC(C)[C@H]([NH3+])CCN(C)CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000430570260 931903499 /nfs/dbraw/zinc/90/34/99/931903499.db2.gz MYEGYDHALCCERB-WIYYLYMNSA-N 1 3 373.566 3.649 20 0 FHADHO Cc1ccc(CNCc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)s1 ZINC000076399919 932377315 /nfs/dbraw/zinc/37/73/15/932377315.db2.gz JGMMCQLGHLHYGZ-UHFFFAOYSA-N 1 3 374.550 3.836 20 0 FHADHO Cc1ccc(CNCc2cccc(OCC[N@H+](C)C3CCOCC3)c2)s1 ZINC000076399919 932377316 /nfs/dbraw/zinc/37/73/16/932377316.db2.gz JGMMCQLGHLHYGZ-UHFFFAOYSA-N 1 3 374.550 3.836 20 0 FHADHO C[C@@H]1CCCC[N@H+]1CCCN[C@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000399117614 933011026 /nfs/dbraw/zinc/01/10/26/933011026.db2.gz GLIOOYSTDOJXMS-SQNIBIBYSA-N 1 3 353.551 3.629 20 0 FHADHO C[C@@H]1CCCC[N@@H+]1CCCN[C@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000399117614 933011032 /nfs/dbraw/zinc/01/10/32/933011032.db2.gz GLIOOYSTDOJXMS-SQNIBIBYSA-N 1 3 353.551 3.629 20 0 FHADHO C[C@@H]1CCCCN1CCC[NH2+][C@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000399117614 933011038 /nfs/dbraw/zinc/01/10/38/933011038.db2.gz GLIOOYSTDOJXMS-SQNIBIBYSA-N 1 3 353.551 3.629 20 0 FHADHO C[C@@H](NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1cncc(F)c1 ZINC000090971246 933106567 /nfs/dbraw/zinc/10/65/67/933106567.db2.gz UZCVBSJCTNKTLV-QGZVFWFLSA-N 1 3 368.500 3.604 20 0 FHADHO Cc1ncc([C@H](C)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)s1 ZINC000090971357 933113021 /nfs/dbraw/zinc/11/30/21/933113021.db2.gz ZMPHZDMSIONMGM-INIZCTEOSA-N 1 3 370.566 3.834 20 0 FHADHO Cc1nc([C@@H](C)NCCc2ccc(OCC[NH+]3CCCC3)cc2)cs1 ZINC000581960835 933121080 /nfs/dbraw/zinc/12/10/80/933121080.db2.gz SCGDXJNXZCMCNO-MRXNPFEDSA-N 1 3 359.539 3.819 20 0 FHADHO C[C@@H]([NH3+])C1CCN(CC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)CC1 ZINC000430927135 933424506 /nfs/dbraw/zinc/42/45/06/933424506.db2.gz PQVACYAFOMTBIN-UTKZUKDTSA-N 1 3 371.569 3.707 20 0 FHADHO C[C@H]([NH3+])C1CCN(CC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)CC1 ZINC000430927134 933424806 /nfs/dbraw/zinc/42/48/06/933424806.db2.gz PQVACYAFOMTBIN-LAUBAEHRSA-N 1 3 371.569 3.707 20 0 FHADHO CCC[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)N(C)C)c1ccccc1 ZINC000548442398 933791874 /nfs/dbraw/zinc/79/18/74/933791874.db2.gz YOTOVSLIDIBFLU-SFTDATJTSA-N 1 3 353.510 3.537 20 0 FHADHO CCCN1CCN(c2ccccc2C[NH+]2CCC(OC(C)(C)C)CC2)CC1 ZINC000092454199 934058400 /nfs/dbraw/zinc/05/84/00/934058400.db2.gz WJLSHJPMPXGLFY-UHFFFAOYSA-N 1 3 373.585 3.998 20 0 FHADHO C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000510953459 934219070 /nfs/dbraw/zinc/21/90/70/934219070.db2.gz VDPLUSTZSUGRIO-INIZCTEOSA-N 1 3 371.491 3.642 20 0 FHADHO COc1ccc(CN2CCC(C[N@H+](C)C(C)C)CC2)cc1OC(F)F ZINC000535811374 934402079 /nfs/dbraw/zinc/40/20/79/934402079.db2.gz PBSYCIBFYKDAMP-UHFFFAOYSA-N 1 3 356.457 3.849 20 0 FHADHO COc1ccc(CN2CCC(C[N@@H+](C)C(C)C)CC2)cc1OC(F)F ZINC000535811374 934402084 /nfs/dbraw/zinc/40/20/84/934402084.db2.gz PBSYCIBFYKDAMP-UHFFFAOYSA-N 1 3 356.457 3.849 20 0 FHADHO C[C@H](c1nc(-c2ccccc2OCC[NH+](C)C)no1)N1[C@H](C)CC[C@@H]1C ZINC000276998683 934431921 /nfs/dbraw/zinc/43/19/21/934431921.db2.gz YWNSJMJHDROFDM-OWCLPIDISA-N 1 3 358.486 3.611 20 0 FHADHO CC[C@@H](N[C@H](C)CC[NH+](C)C)c1ccc(I)cc1 ZINC000610805963 934449343 /nfs/dbraw/zinc/44/93/43/934449343.db2.gz LZBNMCOCVKUTKK-IUODEOHRSA-N 1 3 360.283 3.672 20 0 FHADHO CC1CCN([C@H](CNC(=O)C[C@H]([NH3+])c2ccccc2)c2cccs2)CC1 ZINC000236660193 934759494 /nfs/dbraw/zinc/75/94/94/934759494.db2.gz NZZGWKRVWQOFTD-RBUKOAKNSA-N 1 3 371.550 3.727 20 0 FHADHO CO[C@H](C[N@H+](C)C[C@H]1CCN(Cc2ccccc2)C1)c1ccc(F)cc1 ZINC001167504411 934871336 /nfs/dbraw/zinc/87/13/36/934871336.db2.gz LFQCIZJMOAYQKE-DENIHFKCSA-N 1 3 356.485 3.967 20 0 FHADHO CO[C@H](C[N@@H+](C)C[C@H]1CCN(Cc2ccccc2)C1)c1ccc(F)cc1 ZINC001167504411 934871342 /nfs/dbraw/zinc/87/13/42/934871342.db2.gz LFQCIZJMOAYQKE-DENIHFKCSA-N 1 3 356.485 3.967 20 0 FHADHO COC[C@@H](C)Oc1ccc(CNCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000657296380 934999112 /nfs/dbraw/zinc/99/91/12/934999112.db2.gz GUNLCTXYUYSXPO-LJQANCHMSA-N 1 3 368.521 3.986 20 0 FHADHO Fc1ccc([C@@H]2CCNC[C@@H]2C[NH2+]C2CCC3(CCOCC3)CC2)cc1 ZINC000415006296 945071001 /nfs/dbraw/zinc/07/10/01/945071001.db2.gz QFSSPAFAWJAJDD-NQIIRXRSSA-N 1 3 360.517 3.848 20 0 FHADHO C[C@H](NCCCC[N@@H+]1CCCC[C@@H]1C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000157873899 935217292 /nfs/dbraw/zinc/21/72/92/935217292.db2.gz TWZYJSKIHDLJII-HOTGVXAUSA-N 1 3 370.534 3.534 20 0 FHADHO C[C@H](NCCCC[N@H+]1CCCC[C@@H]1C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000157873899 935217301 /nfs/dbraw/zinc/21/73/01/935217301.db2.gz TWZYJSKIHDLJII-HOTGVXAUSA-N 1 3 370.534 3.534 20 0 FHADHO O[C@H](CC1CCCC1)CN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC001167554331 935389984 /nfs/dbraw/zinc/38/99/84/935389984.db2.gz NVBZDUAEWFQHSM-PKTZIBPZSA-N 1 3 356.554 3.916 20 0 FHADHO O[C@H](CC1CCCC1)CN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001167554331 935389989 /nfs/dbraw/zinc/38/99/89/935389989.db2.gz NVBZDUAEWFQHSM-PKTZIBPZSA-N 1 3 356.554 3.916 20 0 FHADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C[C@@H](N)c2ccccc2)C1 ZINC000237472269 936068903 /nfs/dbraw/zinc/06/89/03/936068903.db2.gz CIAWYZURMDEAKY-XMSQKQJNSA-N 1 3 365.521 3.625 20 0 FHADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C[C@@H](N)c2ccccc2)C1 ZINC000237472269 936068908 /nfs/dbraw/zinc/06/89/08/936068908.db2.gz CIAWYZURMDEAKY-XMSQKQJNSA-N 1 3 365.521 3.625 20 0 FHADHO Brc1ccc(CC2(CN[C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000657660772 936182107 /nfs/dbraw/zinc/18/21/07/936182107.db2.gz RBWHIUAZIGRKJY-MSOLQXFVSA-N 1 3 363.343 3.988 20 0 FHADHO Brc1ccc(CC2(CN[C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000657660772 936182110 /nfs/dbraw/zinc/18/21/10/936182110.db2.gz RBWHIUAZIGRKJY-MSOLQXFVSA-N 1 3 363.343 3.988 20 0 FHADHO COCc1ccc(CNCc2ccccc2C[N@H+](C)Cc2ccco2)o1 ZINC000128698071 938315652 /nfs/dbraw/zinc/31/56/52/938315652.db2.gz MUABAXLYGCQFKA-UHFFFAOYSA-N 1 3 354.450 3.941 20 0 FHADHO COCc1ccc(CNCc2ccccc2C[N@@H+](C)Cc2ccco2)o1 ZINC000128698071 938315654 /nfs/dbraw/zinc/31/56/54/938315654.db2.gz MUABAXLYGCQFKA-UHFFFAOYSA-N 1 3 354.450 3.941 20 0 FHADHO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CN1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000583693149 938360853 /nfs/dbraw/zinc/36/08/53/938360853.db2.gz AAXXFTHTMYUHIT-YYWHXJBOSA-N 1 3 372.944 3.761 20 0 FHADHO Fc1cncc([C@H]([NH2+]C[C@H]2CCN(CCc3ccccc3)C2)C2CC2)c1 ZINC000467353966 945179767 /nfs/dbraw/zinc/17/97/67/945179767.db2.gz BXHOWOCKHWUKPU-XMSQKQJNSA-N 1 3 353.485 3.826 20 0 FHADHO CC[NH+](CC)CCOC1CCN(Cc2ccc(OC(F)F)cc2)CC1 ZINC000080650333 938594403 /nfs/dbraw/zinc/59/44/03/938594403.db2.gz VERYYOOAAAPRLB-UHFFFAOYSA-N 1 3 356.457 3.611 20 0 FHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc4ccoc4c3)CC2)CC1 ZINC000584300141 938676827 /nfs/dbraw/zinc/67/68/27/938676827.db2.gz INTXZELTJRRCRY-UHFFFAOYSA-N 1 3 355.482 3.568 20 0 FHADHO C[NH+](C)Cc1ccccc1CNC(=O)c1ccc(Nc2ccncc2)cc1 ZINC000081044466 938713703 /nfs/dbraw/zinc/71/37/03/938713703.db2.gz FLLOEDWRYKFHMG-UHFFFAOYSA-N 1 3 360.461 3.817 20 0 FHADHO c1sc(CC[NH2+]C2CCN(C3CCCC3)CC2)nc1-c1ccccn1 ZINC000090044673 938867918 /nfs/dbraw/zinc/86/79/18/938867918.db2.gz OWOZIAJZIIHDIK-UHFFFAOYSA-N 1 3 356.539 3.744 20 0 FHADHO CCN1CCN(Cc2ccc(C[NH2+][C@H](c3cccnc3)C(C)C)cc2)CC1 ZINC000091287222 938899534 /nfs/dbraw/zinc/89/95/34/938899534.db2.gz XVUOHEFMULHHNV-QHCPKHFHSA-N 1 3 366.553 3.706 20 0 FHADHO c1ccc(OCC2CC2)c(CN2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000093735128 938929318 /nfs/dbraw/zinc/92/93/18/938929318.db2.gz PXYVPMBAVSJLEE-UHFFFAOYSA-N 1 3 358.526 3.552 20 0 FHADHO CCCN1CCN(c2ccccc2C[N@H+](C)C2CCC(OC)CC2)CC1 ZINC000093414981 938933671 /nfs/dbraw/zinc/93/36/71/938933671.db2.gz JORLAYIZZQXIGK-UHFFFAOYSA-N 1 3 359.558 3.608 20 0 FHADHO CCCN1CCN(c2ccccc2C[N@@H+](C)C2CCC(OC)CC2)CC1 ZINC000093414981 938933673 /nfs/dbraw/zinc/93/36/73/938933673.db2.gz JORLAYIZZQXIGK-UHFFFAOYSA-N 1 3 359.558 3.608 20 0 FHADHO Clc1ccccc1CN1CCC(C[NH2+][C@@H]2CCCn3nccc32)CC1 ZINC000657883638 938971502 /nfs/dbraw/zinc/97/15/02/938971502.db2.gz ZTSNXZAIWARBBC-LJQANCHMSA-N 1 3 358.917 3.873 20 0 FHADHO CSc1ccc([C@H](C)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1F ZINC000658142153 939035496 /nfs/dbraw/zinc/03/54/96/939035496.db2.gz VCFULSFEYPPMAE-HNAYVOBHSA-N 1 3 374.525 3.965 20 0 FHADHO CSc1ccc([C@H](C)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1F ZINC000658142153 939035499 /nfs/dbraw/zinc/03/54/99/939035499.db2.gz VCFULSFEYPPMAE-HNAYVOBHSA-N 1 3 374.525 3.965 20 0 FHADHO Cc1nc(C(C)C)sc1[C@H](C)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658137384 939041407 /nfs/dbraw/zinc/04/14/07/939041407.db2.gz GNMCBWBTJLJDSS-KXBFYZLASA-N 1 3 373.566 3.992 20 0 FHADHO Cc1nc(C(C)C)sc1[C@H](C)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658137384 939041411 /nfs/dbraw/zinc/04/14/11/939041411.db2.gz GNMCBWBTJLJDSS-KXBFYZLASA-N 1 3 373.566 3.992 20 0 FHADHO C[C@H](NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1nccc2ccccc21 ZINC000658138111 939042515 /nfs/dbraw/zinc/04/25/15/939042515.db2.gz MSJDGFUHFVZMCJ-UWJYYQICSA-N 1 3 361.489 3.652 20 0 FHADHO C[C@H](NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1nccc2ccccc21 ZINC000658138111 939042518 /nfs/dbraw/zinc/04/25/18/939042518.db2.gz MSJDGFUHFVZMCJ-UWJYYQICSA-N 1 3 361.489 3.652 20 0 FHADHO CC(C)CO[C@H]1C[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C1(C)C ZINC000658165326 939053861 /nfs/dbraw/zinc/05/38/61/939053861.db2.gz ILTRZGCBOVEZCV-SFTDATJTSA-N 1 3 359.558 3.723 20 0 FHADHO CCCCC[C@](C)(CC)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000366662894 945291853 /nfs/dbraw/zinc/29/18/53/945291853.db2.gz MJJTXEFKYCVNBU-NRFANRHFSA-N 1 3 351.579 3.658 20 0 FHADHO C[C@@H](COCC(F)(F)F)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000278799799 940183457 /nfs/dbraw/zinc/18/34/57/940183457.db2.gz RCGOTVVQQSCIJM-LEUOFYLZSA-N 1 3 356.432 3.739 20 0 FHADHO C[C@@H](COCC(F)(F)F)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000278799799 940183459 /nfs/dbraw/zinc/18/34/59/940183459.db2.gz RCGOTVVQQSCIJM-LEUOFYLZSA-N 1 3 356.432 3.739 20 0 FHADHO COc1cc(C)c(C[N@H+]2C[C@H]3CN(Cc4ccccc4)CC[C@@H]3C2)c(C)n1 ZINC000685850904 940467176 /nfs/dbraw/zinc/46/71/76/940467176.db2.gz MAAMEDKUERKJIW-NHCUHLMSSA-N 1 3 365.521 3.661 20 0 FHADHO COc1cc(C)c(C[N@@H+]2C[C@H]3CN(Cc4ccccc4)CC[C@@H]3C2)c(C)n1 ZINC000685850904 940467178 /nfs/dbraw/zinc/46/71/78/940467178.db2.gz MAAMEDKUERKJIW-NHCUHLMSSA-N 1 3 365.521 3.661 20 0 FHADHO C[NH+](C)CCOc1ccc(CN[C@@H](c2cccs2)C(C)(C)CO)cc1 ZINC000651591730 945349038 /nfs/dbraw/zinc/34/90/38/945349038.db2.gz AHVOZKMPKQUEJE-IBGZPJMESA-N 1 3 362.539 3.538 20 0 FHADHO CCn1cc([C@@H]2OCC[C@H]2CNC2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)cn1 ZINC000414257082 940845045 /nfs/dbraw/zinc/84/50/45/940845045.db2.gz WVGNRCJKLMMMSK-YHDSQAASSA-N 1 3 374.573 3.613 20 0 FHADHO OC1(CN[C@H]2CCc3c2c(F)ccc3F)CC[NH+](Cc2ccccc2)CC1 ZINC000414294402 940908468 /nfs/dbraw/zinc/90/84/68/940908468.db2.gz CEPLUTKEBHXGPC-FQEVSTJZSA-N 1 3 372.459 3.569 20 0 FHADHO CCC[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1cccnc1 ZINC000414306205 940929106 /nfs/dbraw/zinc/92/91/06/940929106.db2.gz NXSJORMMFYKXIJ-NRFANRHFSA-N 1 3 353.510 3.540 20 0 FHADHO CN1CC[C@]2(C1)CCC[N@H+](Cc1ccc(OCc3ccncc3)cc1)C2 ZINC000660661170 945366227 /nfs/dbraw/zinc/36/62/27/945366227.db2.gz ZAAMGLQIONPFFN-QFIPXVFZSA-N 1 3 351.494 3.578 20 0 FHADHO CN1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(OCc3ccncc3)cc1)C2 ZINC000660661170 945366239 /nfs/dbraw/zinc/36/62/39/945366239.db2.gz ZAAMGLQIONPFFN-QFIPXVFZSA-N 1 3 351.494 3.578 20 0 FHADHO C[C@@H]1C[NH2+]C[C@@H](NC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000647548777 941070312 /nfs/dbraw/zinc/07/03/12/941070312.db2.gz SQGVBCLPHAKNAS-UGSOOPFHSA-N 1 3 356.341 3.545 20 0 FHADHO C[NH+](C)C1CCN(CCN[C@H]2CCc3cc(Cl)cc(Cl)c32)CC1 ZINC000134429531 941071430 /nfs/dbraw/zinc/07/14/30/941071430.db2.gz NPGOUMULJCTAFT-KRWDZBQOSA-N 1 3 356.341 3.596 20 0 FHADHO CC[NH+](CC)Cc1cccc(CN[C@H](C)c2ccc(-n3cncn3)cc2)c1 ZINC000163571191 941121325 /nfs/dbraw/zinc/12/13/25/941121325.db2.gz ANNVNRIXNORGTL-GOSISDBHSA-N 1 3 363.509 3.960 20 0 FHADHO C[C@H](NCc1ccc(C(C)(C)O)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311503765 941315320 /nfs/dbraw/zinc/31/53/20/941315320.db2.gz FTPKQWWUFBYDCN-GHTZIAJQSA-N 1 3 352.522 3.914 20 0 FHADHO C[C@H](NCc1ccc(C(C)(C)O)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311503765 941315322 /nfs/dbraw/zinc/31/53/22/941315322.db2.gz FTPKQWWUFBYDCN-GHTZIAJQSA-N 1 3 352.522 3.914 20 0 FHADHO C[C@H]([NH2+]Cc1ccc(C(C)(C)O)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000311503765 941315325 /nfs/dbraw/zinc/31/53/25/941315325.db2.gz FTPKQWWUFBYDCN-GHTZIAJQSA-N 1 3 352.522 3.914 20 0 FHADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+][C@@H]4CCO[C@]5(CCSC5)C4)[C@@H]3C2)cc1 ZINC000180180142 941351929 /nfs/dbraw/zinc/35/19/29/941351929.db2.gz SSYAZZFRPARAGY-AHJNKEMKSA-N 1 3 372.578 3.541 20 0 FHADHO Cc1nn(-c2cccc(F)c2)cc1CN[C@H](CCC[NH3+])c1ccccc1 ZINC000415044669 941568905 /nfs/dbraw/zinc/56/89/05/941568905.db2.gz AVOBWSIYPQWYFK-OAQYLSRUSA-N 1 3 352.457 3.890 20 0 FHADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(CCCc2c(F)cccc2Cl)CC1 ZINC000415104019 941606041 /nfs/dbraw/zinc/60/60/41/941606041.db2.gz GHFSHXJATAXNBL-RTBURBONSA-N 1 3 354.897 3.630 20 0 FHADHO C[C@H](C[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1)CN(C)C ZINC000314311251 941819885 /nfs/dbraw/zinc/81/98/85/941819885.db2.gz MIRHIHLKKMHLSE-SNVBAGLBSA-N 1 3 369.225 3.635 20 0 FHADHO C[C@H](c1ccccc1C(F)(F)F)[N@@H+]1CCC[C@H](CN2CCN(C)CC2)C1 ZINC000377628020 941854717 /nfs/dbraw/zinc/85/47/17/941854717.db2.gz QBBRQGXGVKENQW-IAGOWNOFSA-N 1 3 369.475 3.726 20 0 FHADHO C[C@H](c1ccccc1C(F)(F)F)[N@H+]1CCC[C@H](CN2CCN(C)CC2)C1 ZINC000377628020 941854720 /nfs/dbraw/zinc/85/47/20/941854720.db2.gz QBBRQGXGVKENQW-IAGOWNOFSA-N 1 3 369.475 3.726 20 0 FHADHO CCN(Cc1cn(C)nc1-c1cccnc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000377633558 941858025 /nfs/dbraw/zinc/85/80/25/941858025.db2.gz VGFJFVTZNIWTST-UHFFFAOYSA-N 1 3 363.509 3.566 20 0 FHADHO Cc1noc(CCC[NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)n1 ZINC000513655723 942058337 /nfs/dbraw/zinc/05/83/37/942058337.db2.gz NYLFQFGOXHCEIC-PCCBWWKXSA-N 1 3 368.525 3.591 20 0 FHADHO CC[NH2+]Cc1cccc(NC(=O)NC[C@H](N[C@H](C)CC)c2ccco2)c1 ZINC000415936311 942158810 /nfs/dbraw/zinc/15/88/10/942158810.db2.gz TWTIJZDZVGUBHH-QAPCUYQASA-N 1 3 358.486 3.640 20 0 FHADHO CCN(C(=O)Nc1cccc(C[NH2+]C)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000415939144 942169941 /nfs/dbraw/zinc/16/99/41/942169941.db2.gz ZZNVXCBISQPRHI-OAQYLSRUSA-N 1 3 366.509 3.534 20 0 FHADHO CC1CCN([C@@H](CNC(=O)Nc2ccc(C[NH3+])cc2)c2cccs2)CC1 ZINC000415953463 942196168 /nfs/dbraw/zinc/19/61/68/942196168.db2.gz GZIZVDXDMIIMGS-SFHVURJKSA-N 1 3 372.538 3.802 20 0 FHADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)Nc2ccc3c(c2)CNC3)CC1 ZINC000415999228 942249662 /nfs/dbraw/zinc/24/96/62/942249662.db2.gz VADKAPKKYSCVCU-KRWDZBQOSA-N 1 3 370.541 3.798 20 0 FHADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)Nc2ccc3c(c2)CNC3)CC1 ZINC000415999228 942249666 /nfs/dbraw/zinc/24/96/66/942249666.db2.gz VADKAPKKYSCVCU-KRWDZBQOSA-N 1 3 370.541 3.798 20 0 FHADHO C[C@H]1C[N@H+](Cc2ccc(Cl)c3ccccc23)CC[C@@H]1N1CCN(C)CC1 ZINC000420931712 942261006 /nfs/dbraw/zinc/26/10/06/942261006.db2.gz GVLJAHINBJLQEM-JTSKRJEESA-N 1 3 371.956 3.951 20 0 FHADHO C[C@H]1C[N@@H+](Cc2ccc(Cl)c3ccccc23)CC[C@@H]1N1CCN(C)CC1 ZINC000420931712 942261008 /nfs/dbraw/zinc/26/10/08/942261008.db2.gz GVLJAHINBJLQEM-JTSKRJEESA-N 1 3 371.956 3.951 20 0 FHADHO CCN1CCC([N@@H+]2CCCN(Cc3cc(C)nc4ccccc34)CC2)CC1 ZINC000420986391 942282691 /nfs/dbraw/zinc/28/26/91/942282691.db2.gz YGTORIAGXMICEW-UHFFFAOYSA-N 1 3 366.553 3.535 20 0 FHADHO CCN1CCC([N@H+]2CCCN(Cc3cc(C)nc4ccccc34)CC2)CC1 ZINC000420986391 942282694 /nfs/dbraw/zinc/28/26/94/942282694.db2.gz YGTORIAGXMICEW-UHFFFAOYSA-N 1 3 366.553 3.535 20 0 FHADHO COc1cc(C)c(C[C@H](C)N[C@H]2CC[N@H+](CC3CCCC3)C2)cc1OC ZINC000502292507 942337192 /nfs/dbraw/zinc/33/71/92/942337192.db2.gz XEMFHKGMQBKXNO-PXNSSMCTSA-N 1 3 360.542 3.797 20 0 FHADHO COc1cc(C)c(C[C@H](C)N[C@H]2CC[N@@H+](CC3CCCC3)C2)cc1OC ZINC000502292507 942337197 /nfs/dbraw/zinc/33/71/97/942337197.db2.gz XEMFHKGMQBKXNO-PXNSSMCTSA-N 1 3 360.542 3.797 20 0 FHADHO CC[C@H](C[NH2+]Cc1ccccc1N1CCN(CC)CC1)CC(F)(F)F ZINC000414518540 942570653 /nfs/dbraw/zinc/57/06/53/942570653.db2.gz VBYXPDRCFCNVHX-INIZCTEOSA-N 1 3 357.464 3.897 20 0 FHADHO CCc1csc([C@@H]2CCCN(C[C@@H](C[NH3+])c3ccc(OC)cc3)C2)n1 ZINC000420323066 942608374 /nfs/dbraw/zinc/60/83/74/942608374.db2.gz TVMHGLYSKMLBLT-IAGOWNOFSA-N 1 3 359.539 3.636 20 0 FHADHO CCc1csc([C@@H]2CCC[N@H+](C[C@@H](CN)c3ccc(OC)cc3)C2)n1 ZINC000420323066 942608384 /nfs/dbraw/zinc/60/83/84/942608384.db2.gz TVMHGLYSKMLBLT-IAGOWNOFSA-N 1 3 359.539 3.636 20 0 FHADHO CCc1csc([C@@H]2CCC[N@@H+](C[C@@H](CN)c3ccc(OC)cc3)C2)n1 ZINC000420323066 942608396 /nfs/dbraw/zinc/60/83/96/942608396.db2.gz TVMHGLYSKMLBLT-IAGOWNOFSA-N 1 3 359.539 3.636 20 0 FHADHO Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC[C@H](CC[NH3+])C2)cc1 ZINC000420301806 942611165 /nfs/dbraw/zinc/61/11/65/942611165.db2.gz AZPUBNFRYBIPJA-NQIIRXRSSA-N 1 3 351.494 3.736 20 0 FHADHO COc1ccc([C@@H](C[NH3+])CN[C@H](C)c2ccc(OC(F)F)cc2)cc1 ZINC000420378735 942645585 /nfs/dbraw/zinc/64/55/85/942645585.db2.gz UOIZSSNRBSJPGA-CJNGLKHVSA-N 1 3 350.409 3.690 20 0 FHADHO COc1ccc([C@H](C[NH3+])CN[C@H]2CCO[C@H]2c2ccc(Cl)cc2)cc1 ZINC000420395488 942653836 /nfs/dbraw/zinc/65/38/36/942653836.db2.gz DLJGKQZBUMPMTR-UXPWSPDFSA-N 1 3 360.885 3.511 20 0 FHADHO CN(C(=O)c1cccc(CN2CCCCC2)c1)C(C)(C)C[NH+]1CCCC1 ZINC000416331120 942670935 /nfs/dbraw/zinc/67/09/35/942670935.db2.gz APAOCPCHIMVKTB-UHFFFAOYSA-N 1 3 357.542 3.619 20 0 FHADHO Cc1ccc([C@@H](CNC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)N(C)C)cc1 ZINC000514136804 942774876 /nfs/dbraw/zinc/77/48/76/942774876.db2.gz BBPTUJVCUAWINN-PZJWPPBQSA-N 1 3 374.573 3.552 20 0 FHADHO Cc1ccc([C@@H](CNC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)N(C)C)cc1 ZINC000514136804 942774878 /nfs/dbraw/zinc/77/48/78/942774878.db2.gz BBPTUJVCUAWINN-PZJWPPBQSA-N 1 3 374.573 3.552 20 0 FHADHO CC[NH+](CC)CCCC1CCN(C[C@@H](O)c2ccc(F)c(F)c2)CC1 ZINC000182752917 942783544 /nfs/dbraw/zinc/78/35/44/942783544.db2.gz FSRSANIQVFYGQQ-HXUWFJFHSA-N 1 3 354.485 3.832 20 0 FHADHO OC1(CCC[NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CCC1 ZINC000421848228 942858776 /nfs/dbraw/zinc/85/87/76/942858776.db2.gz AEPQQUKEXMVYHA-BHIFYINESA-N 1 3 356.554 3.962 20 0 FHADHO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)N[C@H](C[NH3+])C1CCCCC1 ZINC000414856992 943030562 /nfs/dbraw/zinc/03/05/62/943030562.db2.gz ZYWOTRSGDJTPCG-CXAGYDPISA-N 1 3 371.447 3.920 20 0 FHADHO C[C@@H](NCC1=CC[N@H+](C)CC1)c1ccc(OC(F)F)cc1OC(F)F ZINC000271886402 943065705 /nfs/dbraw/zinc/06/57/05/943065705.db2.gz QUFSUOFBAYTKIC-LLVKDONJSA-N 1 3 362.367 3.802 20 0 FHADHO C[C@@H](NCC1=CC[N@@H+](C)CC1)c1ccc(OC(F)F)cc1OC(F)F ZINC000271886402 943065711 /nfs/dbraw/zinc/06/57/11/943065711.db2.gz QUFSUOFBAYTKIC-LLVKDONJSA-N 1 3 362.367 3.802 20 0 FHADHO CC(C)[NH+]1CCC(N2CCN([C@H](C)CCc3cccc(F)c3)CC2)CC1 ZINC000272800357 943224063 /nfs/dbraw/zinc/22/40/63/943224063.db2.gz BFAOUWIFTCREOX-LJQANCHMSA-N 1 3 361.549 3.637 20 0 FHADHO CCCOCc1ccccc1CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422697994 943236025 /nfs/dbraw/zinc/23/60/25/943236025.db2.gz XDPDWRJRDHJDQH-FYYLOGMGSA-N 1 3 366.505 3.959 20 0 FHADHO COc1ccccc1[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)N1CCCCC1 ZINC000422706847 943241336 /nfs/dbraw/zinc/24/13/36/943241336.db2.gz GEKBCOSVEMBFCM-ZDFPQIBNSA-N 1 3 371.569 3.733 20 0 FHADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000422706654 943241360 /nfs/dbraw/zinc/24/13/60/943241360.db2.gz FRSLSMMNSASFOQ-XLIONFOSSA-N 1 3 355.457 3.685 20 0 FHADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]Cc1cccc(NC(=O)C2CCCC2)c1 ZINC000422706304 943241536 /nfs/dbraw/zinc/24/15/36/943241536.db2.gz DVCNVFGHVMSHEO-JTSKRJEESA-N 1 3 365.521 3.863 20 0 FHADHO C/C(=C\c1ccccc1C(F)(F)F)CNC1(CCO)CC[NH+](C)CC1 ZINC000503560256 943261441 /nfs/dbraw/zinc/26/14/41/943261441.db2.gz SQJYAQUFLKSAQF-FYWRMAATSA-N 1 3 356.432 3.545 20 0 FHADHO CC[C@H](N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(OC)cc1 ZINC000422753773 943272957 /nfs/dbraw/zinc/27/29/57/943272957.db2.gz DEVAYKQWFLASBL-JAXLGGSGSA-N 1 3 352.478 3.992 20 0 FHADHO COc1cccc([C@H](CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)N2CCCC2)c1 ZINC000422755472 943273850 /nfs/dbraw/zinc/27/38/50/943273850.db2.gz HYQFOJZAWSAELO-AFXVXQJMSA-N 1 3 371.569 3.733 20 0 FHADHO CCOC(=O)C1([C@@H](C)N[C@H](C)c2cccc(Cl)c2Cl)CC[NH2+]CC1 ZINC000422754878 943274140 /nfs/dbraw/zinc/27/41/40/943274140.db2.gz GGTODWGUWMMZIE-CHWSQXEVSA-N 1 3 373.324 3.965 20 0 FHADHO Clc1cnc(NCCN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c(Cl)c1 ZINC000422778882 943280148 /nfs/dbraw/zinc/28/01/48/943280148.db2.gz HWZWTWAVSAFPIA-FVQBIDKESA-N 1 3 357.329 3.701 20 0 FHADHO C[C@H](CCC[NH3+])N[C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000422781537 943280941 /nfs/dbraw/zinc/28/09/41/943280941.db2.gz FFVIDRUALBUZHC-JLTOFOAXSA-N 1 3 360.885 3.918 20 0 FHADHO C[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)Sc1ccc(Br)cc1 ZINC000422953340 943348046 /nfs/dbraw/zinc/34/80/46/943348046.db2.gz FHRAELSYCRNWKI-SQPSOYEMSA-N 1 3 355.345 3.802 20 0 FHADHO Cc1cc(CN[C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])ccc1Oc1ccc(F)cc1 ZINC000422952914 943348222 /nfs/dbraw/zinc/34/82/22/943348222.db2.gz CPXYVHDBXZGGLA-CWFSZBLJSA-N 1 3 358.457 3.768 20 0 FHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000423017679 943366055 /nfs/dbraw/zinc/36/60/55/943366055.db2.gz PJGGTFLOQNZZQS-NXXSPTCGSA-N 1 3 363.864 3.822 20 0 FHADHO Cc1nc(COc2ccc(CN3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)cc2)cs1 ZINC000435386180 943373622 /nfs/dbraw/zinc/37/36/22/943373622.db2.gz VSTPETCJJDVVCS-DBVUQKKJSA-N 1 3 357.523 3.590 20 0 FHADHO Cc1nc(COc2ccc(CN3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)cc2)cs1 ZINC000435386183 943373751 /nfs/dbraw/zinc/37/37/51/943373751.db2.gz VSTPETCJJDVVCS-VDGAXYAQSA-N 1 3 357.523 3.590 20 0 FHADHO CCCNc1ccc(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000423078664 943386500 /nfs/dbraw/zinc/38/65/00/943386500.db2.gz WLPOTIWGZFAIEI-IFMALSPDSA-N 1 3 351.494 3.854 20 0 FHADHO CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000423114418 943395823 /nfs/dbraw/zinc/39/58/23/943395823.db2.gz VPQHEVWQDJAANI-OJAWGZOXSA-N 1 3 353.510 3.851 20 0 FHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H](C)Cc1cn(C)c2ccc(F)cc12 ZINC000423177370 943427988 /nfs/dbraw/zinc/42/79/88/943427988.db2.gz HJBVHMJWIREAHV-KBPBESRZSA-N 1 3 354.473 3.761 20 0 FHADHO Brc1cccc2c1CC[C@H]2NCCC[NH2+]Cc1cccnc1 ZINC000423190881 943437112 /nfs/dbraw/zinc/43/71/12/943437112.db2.gz RXMJSMZPQWXQKL-GOSISDBHSA-N 1 3 360.299 3.601 20 0 FHADHO C[C@H](N[C@@H]1CCCC[C@H]1C[NH3+])c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423264570 943455683 /nfs/dbraw/zinc/45/56/83/943455683.db2.gz ABOCIVGOFRZCJD-RIFZZMRRSA-N 1 3 364.555 3.571 20 0 FHADHO C[NH2+]C[C@H](C)CN[C@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000423266555 943456188 /nfs/dbraw/zinc/45/61/88/943456188.db2.gz DHUPPXPNYAJWMX-WDEREUQCSA-N 1 3 365.827 3.521 20 0 FHADHO C[C@@H]([NH3+])c1ccc(CN[C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)cc1 ZINC000423293465 943466006 /nfs/dbraw/zinc/46/60/06/943466006.db2.gz RKKLDXSSFKFLDK-CABCVRRESA-N 1 3 352.482 3.841 20 0 FHADHO CCN(CC(=O)Nc1c(Cl)cccc1Cl)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414736212 943485499 /nfs/dbraw/zinc/48/54/99/943485499.db2.gz MUHSBEHYAJCHTJ-QWHCGFSZSA-N 1 3 358.313 3.642 20 0 FHADHO Cc1ccc([C@@H](CNC(=O)c2ccc([C@H](C)[NH3+])cc2)N2CCCC2)cc1 ZINC000423360303 943491207 /nfs/dbraw/zinc/49/12/07/943491207.db2.gz QKEGWLRPCUYMNE-LAUBAEHRSA-N 1 3 351.494 3.582 20 0 FHADHO C[C@H](N[C@@H](CCC[NH3+])c1ccccc1)c1cccc(N2CCCC2=O)c1 ZINC000423512046 943542176 /nfs/dbraw/zinc/54/21/76/943542176.db2.gz UIBHCKMSJWWVIG-UWJYYQICSA-N 1 3 351.494 3.944 20 0 FHADHO COc1ccc(C[C@@H](C)[NH2+]CC2(N)C3CC4CC(C3)CC2C4)c(C)c1OC ZINC000423526512 943547395 /nfs/dbraw/zinc/54/73/95/943547395.db2.gz LLJLOBHPMIFIMJ-QKPKKGKSSA-N 1 3 372.553 3.686 20 0 FHADHO CCOc1ccccc1[C@@H](C)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000423578735 943562134 /nfs/dbraw/zinc/56/21/34/943562134.db2.gz UWZCPOWDNHAUTE-LJQANCHMSA-N 1 3 367.537 3.729 20 0 FHADHO CSc1cc(Br)ccc1CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414771834 943702755 /nfs/dbraw/zinc/70/27/55/943702755.db2.gz SAPWCWUJFLKAEZ-BETUJISGSA-N 1 3 355.345 3.602 20 0 FHADHO C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@H]2[NH2+]C1CCNCC1 ZINC000414775456 943737104 /nfs/dbraw/zinc/73/71/04/943737104.db2.gz CRZNGPXPMFSFGN-YSFPZDHXSA-N 1 3 354.538 3.959 20 0 FHADHO Cc1cc(C[NH3+])cc(NC(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)c1 ZINC000424430882 943924904 /nfs/dbraw/zinc/92/49/04/943924904.db2.gz DSWZSSHSDHAXKK-SFHVURJKSA-N 1 3 366.509 3.582 20 0 FHADHO CC[NH+](CC)CC1CCN(Cc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000437575203 943931043 /nfs/dbraw/zinc/93/10/43/943931043.db2.gz CPMOYGZDOBFTTA-UHFFFAOYSA-N 1 3 358.505 3.624 20 0 FHADHO CC1(CNCc2csc(COc3ccc(Cl)cc3)n2)CC[NH2+]CC1 ZINC000414912587 944071191 /nfs/dbraw/zinc/07/11/91/944071191.db2.gz VHOFAXVSGZJHLK-UHFFFAOYSA-N 1 3 365.930 3.855 20 0 FHADHO COc1cc(C[N@@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)cc(OC)c1 ZINC000517267643 944170666 /nfs/dbraw/zinc/17/06/66/944170666.db2.gz CCGQTZOCJAFOLT-SFTDATJTSA-N 1 3 366.505 3.658 20 0 FHADHO COc1cc(C[N@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)cc(OC)c1 ZINC000517267643 944170667 /nfs/dbraw/zinc/17/06/67/944170667.db2.gz CCGQTZOCJAFOLT-SFTDATJTSA-N 1 3 366.505 3.658 20 0 FHADHO C[C@H]1SCCN(Cc2cncc(C[N@@H+]3CCS[C@@H](C)[C@H]3C)c2)[C@@H]1C ZINC000515772309 944196386 /nfs/dbraw/zinc/19/63/86/944196386.db2.gz WOUXMKZVNCETEW-VQHPVUNQSA-N 1 3 365.612 3.733 20 0 FHADHO C[C@H]1SCCN(Cc2cncc(C[N@H+]3CCS[C@@H](C)[C@H]3C)c2)[C@@H]1C ZINC000515772309 944196391 /nfs/dbraw/zinc/19/63/91/944196391.db2.gz WOUXMKZVNCETEW-VQHPVUNQSA-N 1 3 365.612 3.733 20 0 FHADHO C[C@H]1SCC[N@@H+](Cc2cncc(CN3CCS[C@@H](C)[C@H]3C)c2)[C@@H]1C ZINC000515772309 944196393 /nfs/dbraw/zinc/19/63/93/944196393.db2.gz WOUXMKZVNCETEW-VQHPVUNQSA-N 1 3 365.612 3.733 20 0 FHADHO C[C@H]1SCC[N@H+](Cc2cncc(CN3CCS[C@@H](C)[C@H]3C)c2)[C@@H]1C ZINC000515772309 944196395 /nfs/dbraw/zinc/19/63/95/944196395.db2.gz WOUXMKZVNCETEW-VQHPVUNQSA-N 1 3 365.612 3.733 20 0 FHADHO CN1CCN(CC2(C)CC[NH+]([C@@H]3CC[C@](C)(c4ccccc4)C3)CC2)CC1 ZINC000437969588 944258871 /nfs/dbraw/zinc/25/88/71/944258871.db2.gz JEVDLPMUTBTYCC-VWNXMTODSA-N 1 3 369.597 3.846 20 0 FHADHO c1ccc(CC2([NH2+]C3C[C@H]4CC[C@@H](C3)N4CC3CC3)CCOCC2)cc1 ZINC001167977423 944412848 /nfs/dbraw/zinc/41/28/48/944412848.db2.gz CHFPUHLSAVQFCD-FRIKZZABSA-N 1 3 354.538 3.773 20 0 FHADHO COc1ccc(CC[C@H](C)[NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)cc1O ZINC000426356093 944544292 /nfs/dbraw/zinc/54/42/92/944544292.db2.gz HBHIYFATYDRWOK-SCTDSRPQSA-N 1 3 360.542 3.965 20 0 FHADHO c1ccc(CN2C[C@H](C[NH2+]C[C@H]3CC=CCC3)C3(C2)CCOCC3)cc1 ZINC000550270244 944649779 /nfs/dbraw/zinc/64/97/79/944649779.db2.gz KJWSUSWKMLNTPU-UNMCSNQZSA-N 1 3 354.538 3.861 20 0 FHADHO C[C@H](N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1cccc(-n2cccn2)c1 ZINC000516450345 944875353 /nfs/dbraw/zinc/87/53/53/944875353.db2.gz DDHQTMFFAIBOKJ-JWNTYJGQSA-N 1 3 374.488 3.779 20 0 FHADHO COC(=O)c1ccccc1-c1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)o1 ZINC000516603350 945046030 /nfs/dbraw/zinc/04/60/30/945046030.db2.gz YQPWVYQUHCGTLI-SJPCQFCGSA-N 1 3 368.477 3.790 20 0 FHADHO COC(=O)c1ccccc1-c1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)o1 ZINC000516603350 945046042 /nfs/dbraw/zinc/04/60/42/945046042.db2.gz YQPWVYQUHCGTLI-SJPCQFCGSA-N 1 3 368.477 3.790 20 0 FHADHO CCO[C@@H]1CCN(CC2(C[N@@H+]3CC[C@H](OCC)[C@@H](C)C3)CCC2)C[C@@H]1C ZINC000660719270 945420798 /nfs/dbraw/zinc/42/07/98/945420798.db2.gz BCVKYVDWXMHYRV-XSDIEEQYSA-N 1 3 366.590 3.651 20 0 FHADHO CCO[C@@H]1CCN(CC2(C[N@H+]3CC[C@H](OCC)[C@@H](C)C3)CCC2)C[C@@H]1C ZINC000660719270 945420801 /nfs/dbraw/zinc/42/08/01/945420801.db2.gz BCVKYVDWXMHYRV-XSDIEEQYSA-N 1 3 366.590 3.651 20 0 FHADHO CCO[C@@H]1CC[N@@H+](CC2(CN3CC[C@H](OCC)[C@@H](C)C3)CCC2)C[C@@H]1C ZINC000660719270 945420806 /nfs/dbraw/zinc/42/08/06/945420806.db2.gz BCVKYVDWXMHYRV-XSDIEEQYSA-N 1 3 366.590 3.651 20 0 FHADHO CCO[C@@H]1CC[N@H+](CC2(CN3CC[C@H](OCC)[C@@H](C)C3)CCC2)C[C@@H]1C ZINC000660719270 945420808 /nfs/dbraw/zinc/42/08/08/945420808.db2.gz BCVKYVDWXMHYRV-XSDIEEQYSA-N 1 3 366.590 3.651 20 0 FHADHO O=C(CCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)OCc1ccccc1 ZINC001167966628 945430577 /nfs/dbraw/zinc/43/05/77/945430577.db2.gz XWVVKYKGEBJJEC-SEJPIABJSA-N 1 3 356.510 3.505 20 0 FHADHO O=C(CCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)OCc1ccccc1 ZINC001167966628 945430585 /nfs/dbraw/zinc/43/05/85/945430585.db2.gz XWVVKYKGEBJJEC-SEJPIABJSA-N 1 3 356.510 3.505 20 0 FHADHO Brc1ccc(CN2CCC3(C2)CC[NH2+]CC3)c2ncccc12 ZINC000262017665 945520585 /nfs/dbraw/zinc/52/05/85/945520585.db2.gz MWUQVTXZOFBSPK-UHFFFAOYSA-N 1 3 360.299 3.573 20 0 FHADHO CN(C)Cc1cccc(NC(=O)NCc2ccccc2C[NH+]2CCCC2)c1 ZINC000044277381 945575789 /nfs/dbraw/zinc/57/57/89/945575789.db2.gz XHMXOLGKXPLPNK-UHFFFAOYSA-N 1 3 366.509 3.666 20 0 FHADHO C[NH+](C)CCCOc1ccc(CN[C@@H](c2cncc(F)c2)C2CC2)cc1 ZINC000281307339 945584973 /nfs/dbraw/zinc/58/49/73/945584973.db2.gz RQDVAOUNXBTHRT-OAQYLSRUSA-N 1 3 357.473 3.792 20 0 FHADHO N[C@H](CC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)c1ccccc1 ZINC000119585454 945692271 /nfs/dbraw/zinc/69/22/71/945692271.db2.gz VOEJFBGIYFWZBZ-JOCHJYFZSA-N 1 3 365.521 3.769 20 0 FHADHO C[C@H]1C[C@H](CCNCc2cc(C(F)(F)F)n[nH]2)C[N@@H+]1Cc1ccccc1 ZINC000440612726 945707172 /nfs/dbraw/zinc/70/71/72/945707172.db2.gz NSSRFXWKGADHDC-HOCLYGCPSA-N 1 3 366.431 3.819 20 0 FHADHO C[C@H]1C[C@H](CCNCc2cc(C(F)(F)F)n[nH]2)C[N@H+]1Cc1ccccc1 ZINC000440612726 945707182 /nfs/dbraw/zinc/70/71/82/945707182.db2.gz NSSRFXWKGADHDC-HOCLYGCPSA-N 1 3 366.431 3.819 20 0 FHADHO CCC[NH+]1CCN(c2ccccc2CN2CCC(F)(F)[C@H](C)C2)CC1 ZINC000579063063 945738536 /nfs/dbraw/zinc/73/85/36/945738536.db2.gz QJWHBJHFUJBPPP-QGZVFWFLSA-N 1 3 351.485 3.696 20 0 FHADHO CC(C)C1CCN([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000444186437 946042555 /nfs/dbraw/zinc/04/25/55/946042555.db2.gz BNTZUYTUDPNMGP-LJQANCHMSA-N 1 3 371.569 3.524 20 0 FHADHO CCC[C@@H]([NH2+]C(C)C)C(=O)Nc1cc(C)cc(N2CCN(C(C)C)CC2)c1 ZINC000508480084 946043361 /nfs/dbraw/zinc/04/33/61/946043361.db2.gz ZAVHEVRTEHPSAN-OAQYLSRUSA-N 1 3 374.573 3.631 20 0 FHADHO CCCN1CCC[C@H]1C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000522893916 946074492 /nfs/dbraw/zinc/07/44/92/946074492.db2.gz ICTYQVALXZJIPS-NQIIRXRSSA-N 1 3 357.542 3.552 20 0 FHADHO CCCN1CCC[C@H]1C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000522893916 946074501 /nfs/dbraw/zinc/07/45/01/946074501.db2.gz ICTYQVALXZJIPS-NQIIRXRSSA-N 1 3 357.542 3.552 20 0 FHADHO C[C@@H]1[C@H](C(F)(F)F)CCN1Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000475270478 946802979 /nfs/dbraw/zinc/80/29/79/946802979.db2.gz RDHHZQQCEYMNKG-CRAIPNDOSA-N 1 3 369.475 3.990 20 0 FHADHO CC[NH2+]Cc1cccc(NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)c1 ZINC000123949366 946918494 /nfs/dbraw/zinc/91/84/94/946918494.db2.gz ITADEHVEAAYANA-LJQANCHMSA-N 1 3 369.484 3.786 20 0 FHADHO C[C@@H]1C[C@@H](N2CC[C@]3(C2)CC(F)(F)CO3)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168062134 946952889 /nfs/dbraw/zinc/95/28/89/946952889.db2.gz JCINGIRNVRELJD-PIKOESSRSA-N 1 3 364.480 3.928 20 0 FHADHO C[C@@H]1C[C@@H](N2CC[C@]3(C2)CC(F)(F)CO3)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168062134 946952895 /nfs/dbraw/zinc/95/28/95/946952895.db2.gz JCINGIRNVRELJD-PIKOESSRSA-N 1 3 364.480 3.928 20 0 FHADHO CCOC(=O)[C@@H]1CCCN(C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168063826 947035965 /nfs/dbraw/zinc/03/59/65/947035965.db2.gz NNUWMWFMYULJDB-CMKODMSKSA-N 1 3 358.526 3.703 20 0 FHADHO CN(CC[N@H+](C)C1CCN(C)CC1)Cc1ccc(-c2ccsc2)cc1 ZINC000444664455 947090812 /nfs/dbraw/zinc/09/08/12/947090812.db2.gz QVWSAKKEGVCIIB-UHFFFAOYSA-N 1 3 357.567 3.873 20 0 FHADHO CN(CC[N@@H+](C)C1CCN(C)CC1)Cc1ccc(-c2ccsc2)cc1 ZINC000444664455 947090820 /nfs/dbraw/zinc/09/08/20/947090820.db2.gz QVWSAKKEGVCIIB-UHFFFAOYSA-N 1 3 357.567 3.873 20 0 FHADHO Cc1ncc(C[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)n1-c1ccccc1 ZINC000192921824 947105163 /nfs/dbraw/zinc/10/51/63/947105163.db2.gz DIQCLRYOJGZPKV-OAQYLSRUSA-N 1 3 360.505 3.792 20 0 FHADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CCCc3c(OC)cccc32)[C@@H](C)C1 ZINC000249612816 947331618 /nfs/dbraw/zinc/33/16/18/947331618.db2.gz SIRVJQSGVHFBRS-DZFGPLHGSA-N 1 3 360.542 3.799 20 0 FHADHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2CCCc3c(OC)cccc32)[C@@H](C)C1 ZINC000249612816 947331626 /nfs/dbraw/zinc/33/16/26/947331626.db2.gz SIRVJQSGVHFBRS-DZFGPLHGSA-N 1 3 360.542 3.799 20 0 FHADHO Cc1c(Cl)cccc1NC(=O)[C@@H](C)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662297824 947718941 /nfs/dbraw/zinc/71/89/41/947718941.db2.gz SIDPVTWAWVAJTD-NVXWUHKLSA-N 1 3 363.933 3.687 20 0 FHADHO COc1ccc(-c2cnc(CN3CCC[C@@H](C4CC[NH2+]CC4)C3)o2)cc1 ZINC000662298004 947719362 /nfs/dbraw/zinc/71/93/62/947719362.db2.gz SYCYDDDFPCSXEW-GOSISDBHSA-N 1 3 355.482 3.562 20 0 FHADHO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662298457 947721166 /nfs/dbraw/zinc/72/11/66/947721166.db2.gz WEKFSKVIMJGHDA-WBVHZDCISA-N 1 3 363.933 3.687 20 0 FHADHO Cc1cc(C)c(NC(=O)[C@H](C)N2CCC[C@@H](C3CC[NH2+]CC3)C2)c(C)c1 ZINC000662295795 947722940 /nfs/dbraw/zinc/72/29/40/947722940.db2.gz UMPUJROHPVGDMA-AZUAARDMSA-N 1 3 357.542 3.650 20 0 FHADHO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)c1cccc2c1CNC2 ZINC000662421460 947792451 /nfs/dbraw/zinc/79/24/51/947792451.db2.gz DCNFYDXACJJPSQ-UHFFFAOYSA-N 1 3 363.505 3.596 20 0 FHADHO O=C(C[C@H]1NCc2ccccc21)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000662525964 947888593 /nfs/dbraw/zinc/88/85/93/947888593.db2.gz NEQOCAYSSIFHFC-YADHBBJMSA-N 1 3 363.505 3.564 20 0 FHADHO CCc1ccccc1NC(=O)C[C@H](C)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663467511 948054873 /nfs/dbraw/zinc/05/48/73/948054873.db2.gz GLIYCMXSZHUIEX-HKUYNNGSSA-N 1 3 357.542 3.678 20 0 FHADHO CCc1ccccc1NC(=O)C[C@H](C)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467511 948054884 /nfs/dbraw/zinc/05/48/84/948054884.db2.gz GLIYCMXSZHUIEX-HKUYNNGSSA-N 1 3 357.542 3.678 20 0 FHADHO CCc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663467511 948054893 /nfs/dbraw/zinc/05/48/93/948054893.db2.gz GLIYCMXSZHUIEX-HKUYNNGSSA-N 1 3 357.542 3.678 20 0 FHADHO CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663469846 948065697 /nfs/dbraw/zinc/06/56/97/948065697.db2.gz REACMSBMBVQBIB-WOJBJXKFSA-N 1 3 360.542 3.737 20 0 FHADHO CC[NH+](CC)CCC[C@@H](C)N1CCN(c2ccc3ccccc3n2)CC1 ZINC001167838069 948312695 /nfs/dbraw/zinc/31/26/95/948312695.db2.gz PFXHAHYCZQIEJL-LJQANCHMSA-N 1 3 354.542 3.867 20 0 FHADHO C[C@@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1cccc(OC(F)(F)F)c1 ZINC000432407190 948346689 /nfs/dbraw/zinc/34/66/89/948346689.db2.gz LBGGBUSQOSFLRE-HUUCEWRRSA-N 1 3 360.420 3.737 20 0 FHADHO C[C@@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1cccc(OC(F)(F)F)c1 ZINC000432407190 948346691 /nfs/dbraw/zinc/34/66/91/948346691.db2.gz LBGGBUSQOSFLRE-HUUCEWRRSA-N 1 3 360.420 3.737 20 0 FHADHO COc1cc([C@@H](C)NCCC[N@@H+]2CCCO[C@H](C)C2)ccc1SC ZINC000432412367 948359093 /nfs/dbraw/zinc/35/90/93/948359093.db2.gz BPTZOLUHGXQIEJ-HZPDHXFCSA-N 1 3 352.544 3.569 20 0 FHADHO COc1cc([C@@H](C)NCCC[N@H+]2CCCO[C@H](C)C2)ccc1SC ZINC000432412367 948359101 /nfs/dbraw/zinc/35/91/01/948359101.db2.gz BPTZOLUHGXQIEJ-HZPDHXFCSA-N 1 3 352.544 3.569 20 0 FHADHO CCOc1ccc([C@@H](C)NCCC[N@@H+]2CCCO[C@H](C)C2)cc1OCC ZINC000432415639 948362229 /nfs/dbraw/zinc/36/22/29/948362229.db2.gz OILGXJXSGANAPA-QZTJIDSGSA-N 1 3 364.530 3.636 20 0 FHADHO CCOc1ccc([C@@H](C)NCCC[N@H+]2CCCO[C@H](C)C2)cc1OCC ZINC000432415639 948362242 /nfs/dbraw/zinc/36/22/42/948362242.db2.gz OILGXJXSGANAPA-QZTJIDSGSA-N 1 3 364.530 3.636 20 0 FHADHO CC[NH+](CC)CCC[C@H](C)N1CCN(C[C@H](OC)c2ccccc2)CC1 ZINC001167842412 948388157 /nfs/dbraw/zinc/38/81/57/948388157.db2.gz WYICSCVBDRJIFE-UNMCSNQZSA-N 1 3 361.574 3.502 20 0 FHADHO C[C@@H]1CN(CCCC[NH2+]Cc2cnc(-c3ccccc3)s2)C[C@@H](C)O1 ZINC000066990647 948576969 /nfs/dbraw/zinc/57/69/69/948576969.db2.gz ROAFOSKRWZWXKD-IAGOWNOFSA-N 1 3 359.539 3.789 20 0 FHADHO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000663693893 948649899 /nfs/dbraw/zinc/64/98/99/948649899.db2.gz BMFBESWEDWJTKF-IEBWSBKVSA-N 1 3 369.484 3.655 20 0 FHADHO CC(C)N1CCN(C2CC[NH+]([C@H](C)c3ccc4c(c3)CCC4)CC2)CC1 ZINC000445386501 948735593 /nfs/dbraw/zinc/73/55/93/948735593.db2.gz SQTCAYQNPWFKEJ-LJQANCHMSA-N 1 3 355.570 3.727 20 0 FHADHO COc1ccc2cc(C[NH2+]CCCCN3C[C@H](C)O[C@@H](C)C3)ccc2c1 ZINC000062253191 567943197 /nfs/dbraw/zinc/94/31/97/567943197.db2.gz XRJVRCFXAARZGD-ROUUACIJSA-N 1 3 356.510 3.827 20 0 FHADHO CCCC[N@H+](C)CC1CCN([C@@H](C)C(=O)N(C)C2CCCCC2)CC1 ZINC000521430157 568030443 /nfs/dbraw/zinc/03/04/43/568030443.db2.gz RJWCMJNRDFUFPN-SFHVURJKSA-N 1 3 351.579 3.610 20 0 FHADHO CCCC[N@@H+](C)CC1CCN([C@@H](C)C(=O)N(C)C2CCCCC2)CC1 ZINC000521430157 568030444 /nfs/dbraw/zinc/03/04/44/568030444.db2.gz RJWCMJNRDFUFPN-SFHVURJKSA-N 1 3 351.579 3.610 20 0 FHADHO CC[N@H+](Cc1ccc(C(=O)Nc2cccc3c2CCNC3)cc1)C(C)C ZINC000521433802 568051150 /nfs/dbraw/zinc/05/11/50/568051150.db2.gz ZLOXAASCJYRMTC-UHFFFAOYSA-N 1 3 351.494 3.815 20 0 FHADHO CC[N@@H+](Cc1ccc(C(=O)Nc2cccc3c2CCNC3)cc1)C(C)C ZINC000521433802 568051152 /nfs/dbraw/zinc/05/11/52/568051152.db2.gz ZLOXAASCJYRMTC-UHFFFAOYSA-N 1 3 351.494 3.815 20 0 FHADHO COc1cc(-c2ccccc2)ccc1CN1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000563135101 568267117 /nfs/dbraw/zinc/26/71/17/568267117.db2.gz FVEDHWDUHIIERG-NRFANRHFSA-N 1 3 366.505 3.550 20 0 FHADHO C[C@H](CCN1CCC[C@]2(CCCOC2)C1)[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000431593752 568334245 /nfs/dbraw/zinc/33/42/45/568334245.db2.gz BOLXMWLSLLICTK-FSSWDIPSSA-N 1 3 364.574 3.550 20 0 FHADHO C[C@H](CCN1CCC[C@]2(CCCOC2)C1)[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000431593752 568334246 /nfs/dbraw/zinc/33/42/46/568334246.db2.gz BOLXMWLSLLICTK-FSSWDIPSSA-N 1 3 364.574 3.550 20 0 FHADHO C[C@H](CC[N@@H+]1CCC[C@]2(CCCOC2)C1)N1CCC[C@]2(CCCOC2)C1 ZINC000431593752 568334247 /nfs/dbraw/zinc/33/42/47/568334247.db2.gz BOLXMWLSLLICTK-FSSWDIPSSA-N 1 3 364.574 3.550 20 0 FHADHO C[C@H](CC[N@H+]1CCC[C@]2(CCCOC2)C1)N1CCC[C@]2(CCCOC2)C1 ZINC000431593752 568334248 /nfs/dbraw/zinc/33/42/48/568334248.db2.gz BOLXMWLSLLICTK-FSSWDIPSSA-N 1 3 364.574 3.550 20 0 FHADHO C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)N1CCCCCC1 ZINC000511772236 945069250 /nfs/dbraw/zinc/06/92/50/945069250.db2.gz UJZOIQUFTMNKBF-CTNGQTDRSA-N 1 3 371.569 3.668 20 0 FHADHO C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)N1CCCCCC1 ZINC000511772236 945069262 /nfs/dbraw/zinc/06/92/62/945069262.db2.gz UJZOIQUFTMNKBF-CTNGQTDRSA-N 1 3 371.569 3.668 20 0 FHADHO CN(C)Cc1cccc(NC(=O)NC2CCC([NH+]3CCCCC3)CC2)c1 ZINC000079782473 929574425 /nfs/dbraw/zinc/57/44/25/929574425.db2.gz ZPMWNYBCSGNETH-UHFFFAOYSA-N 1 3 358.530 3.667 20 0 FHADHO Cc1ccccc1[C@@H](CO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000683691585 929809153 /nfs/dbraw/zinc/80/91/53/929809153.db2.gz ZMSOIZSJBMVYPS-CUDBPUKSSA-N 1 3 350.506 3.814 20 0 FHADHO CC[NH+](CC)[C@H](CNC(=O)CN(C)C(C)C)c1ccc(C(F)(F)F)cc1 ZINC000063583500 930110112 /nfs/dbraw/zinc/11/01/12/930110112.db2.gz DSQVXYKXCCBRJH-QGZVFWFLSA-N 1 3 373.463 3.545 20 0 FHADHO COc1ccc([C@H](C)NCc2ccc(OCC[NH+]3CCCC3)cc2)cc1O ZINC000580368190 930581078 /nfs/dbraw/zinc/58/10/78/930581078.db2.gz DJGPGSOULCAZTI-KRWDZBQOSA-N 1 3 370.493 3.726 20 0 FHADHO COc1ccc(C[N@@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)cc1OC ZINC000312838269 930641199 /nfs/dbraw/zinc/64/11/99/930641199.db2.gz DZSSXLSVQAQJJW-SFTDATJTSA-N 1 3 366.505 3.658 20 0 FHADHO COc1ccc(C[N@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)cc1OC ZINC000312838269 930641203 /nfs/dbraw/zinc/64/12/03/930641203.db2.gz DZSSXLSVQAQJJW-SFTDATJTSA-N 1 3 366.505 3.658 20 0 FHADHO CC(C)CCn1cccc1CNCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000119108319 930681587 /nfs/dbraw/zinc/68/15/87/930681587.db2.gz IPYDHZQZQVMPJV-UHFFFAOYSA-N 1 3 369.553 3.781 20 0 FHADHO CC(C)(C)OC(=O)NCCCCCCN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001167430048 931006313 /nfs/dbraw/zinc/00/63/13/931006313.db2.gz QURXKWKCQVYTAP-IBGZPJMESA-N 1 3 367.578 3.879 20 0 FHADHO CC(C)(C)OC(=O)NCCCCCC[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC001167430048 931006322 /nfs/dbraw/zinc/00/63/22/931006322.db2.gz QURXKWKCQVYTAP-IBGZPJMESA-N 1 3 367.578 3.879 20 0 FHADHO CC(C)(C)OC(=O)NCCCCCC[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC001167430048 931006329 /nfs/dbraw/zinc/00/63/29/931006329.db2.gz QURXKWKCQVYTAP-IBGZPJMESA-N 1 3 367.578 3.879 20 0 FHADHO C[C@@H](NCc1ccc(-n2cccn2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000312993996 931235479 /nfs/dbraw/zinc/23/54/79/931235479.db2.gz MONGDEBTTKTVFE-DENIHFKCSA-N 1 3 360.505 3.873 20 0 FHADHO C[C@@H](NCc1ccc(-n2cccn2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000312993996 931235484 /nfs/dbraw/zinc/23/54/84/931235484.db2.gz MONGDEBTTKTVFE-DENIHFKCSA-N 1 3 360.505 3.873 20 0 FHADHO C[C@@H]([NH2+]Cc1ccc(-n2cccn2)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000312993996 931235493 /nfs/dbraw/zinc/23/54/93/931235493.db2.gz MONGDEBTTKTVFE-DENIHFKCSA-N 1 3 360.505 3.873 20 0 FHADHO C[C@H](NCc1ccc(-n2cccn2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000312994001 931235636 /nfs/dbraw/zinc/23/56/36/931235636.db2.gz MONGDEBTTKTVFE-SIKLNZKXSA-N 1 3 360.505 3.873 20 0 FHADHO C[C@H](NCc1ccc(-n2cccn2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000312994001 931235644 /nfs/dbraw/zinc/23/56/44/931235644.db2.gz MONGDEBTTKTVFE-SIKLNZKXSA-N 1 3 360.505 3.873 20 0 FHADHO C[C@H]([NH2+]Cc1ccc(-n2cccn2)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000312994001 931235653 /nfs/dbraw/zinc/23/56/53/931235653.db2.gz MONGDEBTTKTVFE-SIKLNZKXSA-N 1 3 360.505 3.873 20 0 FHADHO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1cccc(CN2CCCC2)c1 ZINC000065910476 931884478 /nfs/dbraw/zinc/88/44/78/931884478.db2.gz XUFRWUPSIXZBNI-UHFFFAOYSA-N 1 3 357.542 3.619 20 0 FHADHO CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1cccc(CN2CCCC2)c1 ZINC000065910476 931884492 /nfs/dbraw/zinc/88/44/92/931884492.db2.gz XUFRWUPSIXZBNI-UHFFFAOYSA-N 1 3 357.542 3.619 20 0 FHADHO CCOc1cc(CN2CCC([C@H]3CCC[NH2+]C3)CC2)ccc1OC(F)F ZINC000656783976 932420069 /nfs/dbraw/zinc/42/00/69/932420069.db2.gz BTVVCCMBZSJLGC-KRWDZBQOSA-N 1 3 368.468 3.898 20 0 FHADHO COc1ccc(CN2CCC([C@H]3CCC[NH2+]C3)CC2)cc1OC(F)F ZINC000656785164 932421347 /nfs/dbraw/zinc/42/13/47/932421347.db2.gz JWSKWUGPWKHNSI-INIZCTEOSA-N 1 3 354.441 3.508 20 0 FHADHO CCCN(Cc1nnc(-c2ccccc2Cl)o1)CC1CC[NH+](C)CC1 ZINC000891491120 932644282 /nfs/dbraw/zinc/64/42/82/932644282.db2.gz LHMFBYJPBKQMID-UHFFFAOYSA-N 1 3 362.905 3.944 20 0 FHADHO CC(C)Cn1nccc1C[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C ZINC000647192679 932883734 /nfs/dbraw/zinc/88/37/34/932883734.db2.gz SIBULAXLQZQTNR-RTBURBONSA-N 1 3 354.542 3.785 20 0 FHADHO C[C@@H]1CN(CC2CC[NH+](CCSCc3ccccc3)CC2)C[C@H](C)O1 ZINC000430755734 933208574 /nfs/dbraw/zinc/20/85/74/933208574.db2.gz RNKWNAKPRHKDCW-KDURUIRLSA-N 1 3 362.583 3.741 20 0 FHADHO CC[C@H](N[C@@H](C)CC[NH+](C)C)c1ccc(I)cc1 ZINC000610805965 934449526 /nfs/dbraw/zinc/44/95/26/934449526.db2.gz LZBNMCOCVKUTKK-WFASDCNBSA-N 1 3 360.283 3.672 20 0 FHADHO C[C@H](Cc1ccc(F)c(Br)c1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000090456590 934642768 /nfs/dbraw/zinc/64/27/68/934642768.db2.gz GEEIXEIJCUZLBL-BPLDGKMQSA-N 1 3 355.295 3.736 20 0 FHADHO C[C@H](Cc1ccc(F)c(Br)c1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090456590 934642775 /nfs/dbraw/zinc/64/27/75/934642775.db2.gz GEEIXEIJCUZLBL-BPLDGKMQSA-N 1 3 355.295 3.736 20 0 FHADHO CC1CCN([C@@H](CNC(=O)C[C@H]([NH3+])c2ccccc2)c2cccs2)CC1 ZINC000236651666 934758373 /nfs/dbraw/zinc/75/83/73/934758373.db2.gz NZZGWKRVWQOFTD-OALUTQOASA-N 1 3 371.550 3.727 20 0 FHADHO Cc1ccc([C@H](C)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000156963958 934987323 /nfs/dbraw/zinc/98/73/23/934987323.db2.gz WJFVNASEVVZBRU-AVRDEDQJSA-N 1 3 365.521 3.543 20 0 FHADHO Cc1ccc([C@H](C)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000156963958 934987326 /nfs/dbraw/zinc/98/73/26/934987326.db2.gz WJFVNASEVVZBRU-AVRDEDQJSA-N 1 3 365.521 3.543 20 0 FHADHO Cn1ncc(C2CCC2)c1C[NH2+]C[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000657335646 935259658 /nfs/dbraw/zinc/25/96/58/935259658.db2.gz RBTMTXOTTRMORA-IBGZPJMESA-N 1 3 352.526 3.689 20 0 FHADHO c1cc(C[NH2+]Cc2ccnc(OC3CCCCC3)c2)n(-c2ccncc2)n1 ZINC000657338558 935273122 /nfs/dbraw/zinc/27/31/22/935273122.db2.gz BHXNGEXZDSENBL-UHFFFAOYSA-N 1 3 363.465 3.664 20 0 FHADHO c1cc(CNCc2ccnc(OC3CCCCC3)c2)n(-c2cc[nH+]cc2)n1 ZINC000657338558 935273127 /nfs/dbraw/zinc/27/31/27/935273127.db2.gz BHXNGEXZDSENBL-UHFFFAOYSA-N 1 3 363.465 3.664 20 0 FHADHO CC[N@H+](C)Cc1cccc(CNCc2ccc(O[C@@H]3CCOC3)cc2)c1 ZINC000657348383 935313570 /nfs/dbraw/zinc/31/35/70/935313570.db2.gz UGNIHBYSDBKPJJ-JOCHJYFZSA-N 1 3 354.494 3.596 20 0 FHADHO CC[N@@H+](C)Cc1cccc(CNCc2ccc(O[C@@H]3CCOC3)cc2)c1 ZINC000657348383 935313575 /nfs/dbraw/zinc/31/35/75/935313575.db2.gz UGNIHBYSDBKPJJ-JOCHJYFZSA-N 1 3 354.494 3.596 20 0 FHADHO Cc1ncsc1-c1ccc(C[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000657363991 935379282 /nfs/dbraw/zinc/37/92/82/935379282.db2.gz GVVJIXRSLCCOSX-GOSISDBHSA-N 1 3 371.550 3.709 20 0 FHADHO CCCOc1ccc(C[NH2+]C2CCN([C@H]3CCCC[C@H]3O)CC2)c(C)c1 ZINC000657398911 935561285 /nfs/dbraw/zinc/56/12/85/935561285.db2.gz FMSZIQKFMDTZOM-FCHUYYIVSA-N 1 3 360.542 3.641 20 0 FHADHO CCCOc1ccc(C[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)c(C)c1 ZINC000657398913 935561758 /nfs/dbraw/zinc/56/17/58/935561758.db2.gz FMSZIQKFMDTZOM-VXKWHMMOSA-N 1 3 360.542 3.641 20 0 FHADHO Cc1nn(C(C)(C)C)c(C)c1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657613761 936101112 /nfs/dbraw/zinc/10/11/12/936101112.db2.gz RAERPUNQKAIKKV-UHFFFAOYSA-N 1 3 369.557 3.652 20 0 FHADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(Cc3cnc(-c4cccs4)s3)C2)C1 ZINC000650708150 938288006 /nfs/dbraw/zinc/28/80/06/938288006.db2.gz UJUIIMUFPDVXQZ-IIAWOOMASA-N 1 3 363.552 3.590 20 0 FHADHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000128078626 938296959 /nfs/dbraw/zinc/29/69/59/938296959.db2.gz CCRXDAVTPKCNMK-FUHWJXTLSA-N 1 3 358.461 3.539 20 0 FHADHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000128078626 938296961 /nfs/dbraw/zinc/29/69/61/938296961.db2.gz CCRXDAVTPKCNMK-FUHWJXTLSA-N 1 3 358.461 3.539 20 0 FHADHO Cc1ccc2c(CN3CCC(C[N@@H+](C)C(C)C)CC3)cc(=O)oc2c1C ZINC000728571358 938306464 /nfs/dbraw/zinc/30/64/64/938306464.db2.gz CBSWPIPADTWDHN-UHFFFAOYSA-N 1 3 356.510 3.962 20 0 FHADHO Cc1ccc2c(CN3CCC(C[N@H+](C)C(C)C)CC3)cc(=O)oc2c1C ZINC000728571358 938306466 /nfs/dbraw/zinc/30/64/66/938306466.db2.gz CBSWPIPADTWDHN-UHFFFAOYSA-N 1 3 356.510 3.962 20 0 FHADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2Cc2cnc(-c3cccs3)s2)C1 ZINC000650723905 938311089 /nfs/dbraw/zinc/31/10/89/938311089.db2.gz VSXDZPHHMQAOQU-KBMXLJTQSA-N 1 3 363.552 3.732 20 0 FHADHO CC(C)COc1ccc([C@@H](C)[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000132992128 938553392 /nfs/dbraw/zinc/55/33/92/938553392.db2.gz IHKMYHRBWWEVGU-MOPGFXCFSA-N 1 3 360.542 3.873 20 0 FHADHO COc1cc([C@@H](C)[NH2+]C2CCN(C[C@H]3CCOC3)CC2)ccc1SC ZINC000133060526 938557317 /nfs/dbraw/zinc/55/73/17/938557317.db2.gz XFJLUJZKCJYWMZ-HZPDHXFCSA-N 1 3 364.555 3.569 20 0 FHADHO COc1cc([C@H](C)[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)ccc1SC ZINC000133059962 938557337 /nfs/dbraw/zinc/55/73/37/938557337.db2.gz XFJLUJZKCJYWMZ-HOTGVXAUSA-N 1 3 364.555 3.569 20 0 FHADHO C[C@H]1C[C@@H](NCCOc2ncccc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000090408862 938873012 /nfs/dbraw/zinc/87/30/12/938873012.db2.gz NINXDVGHBJOXOQ-WMZOPIPTSA-N 1 3 359.901 3.757 20 0 FHADHO C[C@H]1C[C@@H](NCCOc2ncccc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000090408862 938873017 /nfs/dbraw/zinc/87/30/17/938873017.db2.gz NINXDVGHBJOXOQ-WMZOPIPTSA-N 1 3 359.901 3.757 20 0 FHADHO c1cc([C@@H]2CCCN2Cc2ccc(OCC[NH+]3CCCC3)cc2)ccn1 ZINC000685452298 938987572 /nfs/dbraw/zinc/98/75/72/938987572.db2.gz CUNGFVSYUAKFOT-QFIPXVFZSA-N 1 3 351.494 3.893 20 0 FHADHO CN(Cc1csc(Cl)c1Cl)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457115 938987874 /nfs/dbraw/zinc/98/78/74/938987874.db2.gz DPUUVOGJIYHAJN-CQSZACIVSA-N 1 3 362.370 3.655 20 0 FHADHO CN(c1ccccc1CNCc1cccc2cc[nH]c21)C1CC[NH+](C)CC1 ZINC000466918357 939000147 /nfs/dbraw/zinc/00/01/47/939000147.db2.gz LSNUCNAQURRCNU-UHFFFAOYSA-N 1 3 362.521 3.988 20 0 FHADHO CC(C)C[C@H](NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccccn1 ZINC000658136737 939031059 /nfs/dbraw/zinc/03/10/59/939031059.db2.gz FAHCWEMKQMNHMM-UNMCSNQZSA-N 1 3 353.510 3.525 20 0 FHADHO CC(C)C[C@H](NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccccn1 ZINC000658136737 939031064 /nfs/dbraw/zinc/03/10/64/939031064.db2.gz FAHCWEMKQMNHMM-UNMCSNQZSA-N 1 3 353.510 3.525 20 0 FHADHO COc1ccc([C@H](C)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1Cl ZINC000658143563 939036517 /nfs/dbraw/zinc/03/65/17/939036517.db2.gz ZIHJFUMDWVEVHB-HNAYVOBHSA-N 1 3 374.912 3.766 20 0 FHADHO COc1ccc([C@H](C)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1Cl ZINC000658143563 939036523 /nfs/dbraw/zinc/03/65/23/939036523.db2.gz ZIHJFUMDWVEVHB-HNAYVOBHSA-N 1 3 374.912 3.766 20 0 FHADHO Cc1c([C@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)cnn1C(C)C ZINC000658164816 939052553 /nfs/dbraw/zinc/05/25/53/939052553.db2.gz FQSFQIGZRONLMQ-KRWDZBQOSA-N 1 3 355.530 3.730 20 0 FHADHO Fc1ccc2c(c1)OCCC[C@@H]2[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658165749 939053267 /nfs/dbraw/zinc/05/32/67/939053267.db2.gz LIPMNJGIMJRRKU-NRFANRHFSA-N 1 3 369.484 3.936 20 0 FHADHO C[C@H](O)[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1ccccc1 ZINC000658364228 939126728 /nfs/dbraw/zinc/12/67/28/939126728.db2.gz YLNSXSJZTXCOHL-MEFBHEEYSA-N 1 3 350.506 3.894 20 0 FHADHO CCCCC[C@@](C)(CC)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000366662895 945291601 /nfs/dbraw/zinc/29/16/01/945291601.db2.gz MJJTXEFKYCVNBU-OAQYLSRUSA-N 1 3 351.579 3.658 20 0 FHADHO C[C@H](COCC(F)(F)F)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000278799796 940183220 /nfs/dbraw/zinc/18/32/20/940183220.db2.gz RCGOTVVQQSCIJM-DDBAPUKQSA-N 1 3 356.432 3.739 20 0 FHADHO C[C@H](COCC(F)(F)F)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000278799796 940183221 /nfs/dbraw/zinc/18/32/21/940183221.db2.gz RCGOTVVQQSCIJM-DDBAPUKQSA-N 1 3 356.432 3.739 20 0 FHADHO COc1ccc([C@@H](C)NCc2ccccc2C[NH+]2CCC(O)CC2)c(C)c1 ZINC000414115664 940604441 /nfs/dbraw/zinc/60/44/41/940604441.db2.gz PRMYMYNMTPUZPZ-GOSISDBHSA-N 1 3 368.521 3.811 20 0 FHADHO CC(C)[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1ccc(F)cn1 ZINC000414294432 940908873 /nfs/dbraw/zinc/90/88/73/940908873.db2.gz CHJZJXZUDMDUGO-NRFANRHFSA-N 1 3 371.500 3.535 20 0 FHADHO CC(C)[C@H](NCC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cn1 ZINC000414294432 940908874 /nfs/dbraw/zinc/90/88/74/940908874.db2.gz CHJZJXZUDMDUGO-NRFANRHFSA-N 1 3 371.500 3.535 20 0 FHADHO CCC[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1cccnc1 ZINC000414306215 940929228 /nfs/dbraw/zinc/92/92/28/940929228.db2.gz NXSJORMMFYKXIJ-OAQYLSRUSA-N 1 3 353.510 3.540 20 0 FHADHO CC(C)C[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1ccccn1 ZINC000414310956 940941722 /nfs/dbraw/zinc/94/17/22/940941722.db2.gz ULDRCUKPVJHTFS-JOCHJYFZSA-N 1 3 367.537 3.786 20 0 FHADHO COCc1cccc(OCC2(CN3CCC[C@]4(CC[N@H+](C)C4)C3)CCC2)c1 ZINC000660664748 945368873 /nfs/dbraw/zinc/36/88/73/945368873.db2.gz SJMLJFVZJDIXNU-JOCHJYFZSA-N 1 3 372.553 3.800 20 0 FHADHO COCc1cccc(OCC2(CN3CCC[C@]4(CC[N@@H+](C)C4)C3)CCC2)c1 ZINC000660664748 945368885 /nfs/dbraw/zinc/36/88/85/945368885.db2.gz SJMLJFVZJDIXNU-JOCHJYFZSA-N 1 3 372.553 3.800 20 0 FHADHO c1c[nH]c([C@H]2CCCN2CCCCCCN2CCC[C@@H]2c2ncc[nH]2)n1 ZINC000376495229 941083475 /nfs/dbraw/zinc/08/34/75/941083475.db2.gz MAQQYJWHBFOBBF-QZTJIDSGSA-N 1 3 356.518 3.667 20 0 FHADHO c1c[nH]c([C@H]2CCCN2CCCCCC[N@@H+]2CCC[C@@H]2c2ncc[nH]2)n1 ZINC000376495229 941083476 /nfs/dbraw/zinc/08/34/76/941083476.db2.gz MAQQYJWHBFOBBF-QZTJIDSGSA-N 1 3 356.518 3.667 20 0 FHADHO c1c[nH]c([C@H]2CCCN2CCCCCC[N@H+]2CCC[C@@H]2c2ncc[nH]2)n1 ZINC000376495229 941083478 /nfs/dbraw/zinc/08/34/78/941083478.db2.gz MAQQYJWHBFOBBF-QZTJIDSGSA-N 1 3 356.518 3.667 20 0 FHADHO Cc1ccc(OCc2nc(CNC[C@H]3CC[C@H](C[NH3+])CC3)cs2)cc1 ZINC000415023948 941547378 /nfs/dbraw/zinc/54/73/78/941547378.db2.gz MFCXYCUGMQECDF-QAQDUYKDSA-N 1 3 359.539 3.885 20 0 FHADHO [NH3+]C[C@H]1CC[C@@H](NCc2csc(COc3ccc(Cl)cc3)n2)C1 ZINC000415042586 941562820 /nfs/dbraw/zinc/56/28/20/941562820.db2.gz RCNQLPUQGZKVRI-GXTWGEPZSA-N 1 3 351.903 3.593 20 0 FHADHO COc1ccc([C@H](CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)N2CCCCC2)cc1 ZINC000415077983 941587793 /nfs/dbraw/zinc/58/77/93/941587793.db2.gz GASSIEXSQAVXSD-AFXVXQJMSA-N 1 3 371.569 3.733 20 0 FHADHO COc1cccc([C@H](NCC2CC[NH2+]CC2)c2cc(F)ccc2OC)c1 ZINC000415082393 941592465 /nfs/dbraw/zinc/59/24/65/941592465.db2.gz LRCUWLSTIWZIPI-NRFANRHFSA-N 1 3 358.457 3.522 20 0 FHADHO CCN1CCN(c2cccc(N[C@H]3CC[NH2+][C@@H](c4ccccc4)C3)c2)CC1 ZINC000415092459 941601619 /nfs/dbraw/zinc/60/16/19/941601619.db2.gz AQXYOJVCCPGNCD-JTHBVZDNSA-N 1 3 364.537 3.734 20 0 FHADHO CC(C)(C)c1ncc(CNCC2([NH3+])CCN(Cc3ccccc3)CC2)s1 ZINC000415133338 941625253 /nfs/dbraw/zinc/62/52/53/941625253.db2.gz NAJFVWYSORAZJB-UHFFFAOYSA-N 1 3 372.582 3.524 20 0 FHADHO CC[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(F)cc1 ZINC000472770648 941732413 /nfs/dbraw/zinc/73/24/13/941732413.db2.gz MKBMZRDCZRWIBJ-BAGYTPMASA-N 1 3 356.485 3.749 20 0 FHADHO CC[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(F)cc1 ZINC000472770648 941732419 /nfs/dbraw/zinc/73/24/19/941732419.db2.gz MKBMZRDCZRWIBJ-BAGYTPMASA-N 1 3 356.485 3.749 20 0 FHADHO C[C@@H](c1ccccc1)N1CCC([NH2+]Cc2cnc(C3OCCO3)s2)CC1 ZINC000377652410 941871368 /nfs/dbraw/zinc/87/13/68/941871368.db2.gz KRSUBMFDMPUITO-HNNXBMFYSA-N 1 3 373.522 3.504 20 0 FHADHO CC[NH+](CC)Cc1cccc(CN[C@@H]2CCCN(CC(C)(C)C)C2=O)c1 ZINC000460662451 941943108 /nfs/dbraw/zinc/94/31/08/941943108.db2.gz GLNFEMDWRDZZIA-HXUWFJFHSA-N 1 3 359.558 3.655 20 0 FHADHO CC[N@@H+]1CCC[C@@H](CN(C)C/C=C/c2ccc(F)cc2)[C@@H]1c1cnn(C)c1 ZINC000434013844 942040790 /nfs/dbraw/zinc/04/07/90/942040790.db2.gz VLEAZTJXJDUDAQ-XCNHPSGJSA-N 1 3 370.516 3.977 20 0 FHADHO CC[N@H+]1CCC[C@@H](CN(C)C/C=C/c2ccc(F)cc2)[C@@H]1c1cnn(C)c1 ZINC000434013844 942040797 /nfs/dbraw/zinc/04/07/97/942040797.db2.gz VLEAZTJXJDUDAQ-XCNHPSGJSA-N 1 3 370.516 3.977 20 0 FHADHO CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)cc1 ZINC000513627715 942053414 /nfs/dbraw/zinc/05/34/14/942053414.db2.gz XSTLQRDLPAVILM-VXKWHMMOSA-N 1 3 365.521 3.704 20 0 FHADHO CC(C)N1CCN(CCC[NH+]2CCC(c3cccc(Cl)c3)CC2)CC1 ZINC000501869987 942090509 /nfs/dbraw/zinc/09/05/09/942090509.db2.gz KGEMABYNJHVWNO-UHFFFAOYSA-N 1 3 363.977 3.936 20 0 FHADHO C[NH2+]Cc1ccccc1NC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000415914085 942136895 /nfs/dbraw/zinc/13/68/95/942136895.db2.gz UMEWZKFYAROXPG-FQEVSTJZSA-N 1 3 366.509 3.534 20 0 FHADHO CC[NH2+]Cc1ccccc1NC(=O)NC[C@@H](N[C@H](C)CC)c1ccco1 ZINC000415933012 942158730 /nfs/dbraw/zinc/15/87/30/942158730.db2.gz PCFULFBGHRTTMU-CRAIPNDOSA-N 1 3 358.486 3.640 20 0 FHADHO Cc1ccccc1O[C@@H]1CCCC[C@@H]1[NH2+]CCCN1CCN(C(C)C)CC1 ZINC000502002658 942164070 /nfs/dbraw/zinc/16/40/70/942164070.db2.gz BALYZYOWDMDIPN-JTHBVZDNSA-N 1 3 373.585 3.691 20 0 FHADHO CC[NH2+]Cc1ccccc1NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000415956219 942198063 /nfs/dbraw/zinc/19/80/63/942198063.db2.gz NTNFTJZBNFUKGH-FQEVSTJZSA-N 1 3 366.509 3.582 20 0 FHADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)Nc1ccc2c(c1)CNC2)c1ccccc1 ZINC000415996934 942246461 /nfs/dbraw/zinc/24/64/61/942246461.db2.gz OJXFOAYHMHDORT-OAHLLOKOSA-N 1 3 352.482 3.541 20 0 FHADHO C[C@H](CN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21)c1ccc(C(F)(F)F)cc1 ZINC000501040452 942270490 /nfs/dbraw/zinc/27/04/90/942270490.db2.gz ZYIGKXDYMWCMLH-DQEVTTJGSA-N 1 3 370.459 3.992 20 0 FHADHO CC[NH+]1CCC(N2CCCN([C@H](C)c3ccc(F)c(F)c3)CC2)CC1 ZINC000420977424 942287709 /nfs/dbraw/zinc/28/77/09/942287709.db2.gz ICGDXQBAZZAPQQ-MRXNPFEDSA-N 1 3 351.485 3.518 20 0 FHADHO CC[NH+](CC)CCOC1CCN(C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000584556730 942300788 /nfs/dbraw/zinc/30/07/88/942300788.db2.gz REMZQOQTHGDYCA-WAYWQWQTSA-N 1 3 352.469 3.801 20 0 FHADHO CN(CC(=O)Nc1cccc(Cl)c1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501085439 942302173 /nfs/dbraw/zinc/30/21/73/942302173.db2.gz ZMVLVCNXNPQWGG-UHFFFAOYSA-N 1 3 372.900 3.522 20 0 FHADHO COc1cc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)ccc1OC1CCCC1 ZINC000513712237 942413197 /nfs/dbraw/zinc/41/31/97/942413197.db2.gz AYZXVFOIAOIAGY-AQNXPRMDSA-N 1 3 358.526 3.979 20 0 FHADHO COc1cc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)ccc1OC1CCCC1 ZINC000513712237 942413202 /nfs/dbraw/zinc/41/32/02/942413202.db2.gz AYZXVFOIAOIAGY-AQNXPRMDSA-N 1 3 358.526 3.979 20 0 FHADHO COc1cc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)ccc1OC1CCCC1 ZINC000513712237 942413205 /nfs/dbraw/zinc/41/32/05/942413205.db2.gz AYZXVFOIAOIAGY-AQNXPRMDSA-N 1 3 358.526 3.979 20 0 FHADHO CCc1cc(OC)ccc1C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000501386640 942442306 /nfs/dbraw/zinc/44/23/06/942442306.db2.gz MCRIOABJLCHZIM-HXUWFJFHSA-N 1 3 352.522 3.912 20 0 FHADHO CCCC[NH+](CCCC)CCNc1cncc([C@H]2CN3CCC2CC3)n1 ZINC001167732695 942465072 /nfs/dbraw/zinc/46/50/72/942465072.db2.gz ALOAQDOWSOTNAC-IBGZPJMESA-N 1 3 359.562 3.600 20 0 FHADHO CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)cc1 ZINC000513825097 942555049 /nfs/dbraw/zinc/55/50/49/942555049.db2.gz VZRZWQAUJSAMAO-AVRDEDQJSA-N 1 3 367.537 3.950 20 0 FHADHO CC[C@@H](C[NH2+]Cc1ccccc1N1CCN(CC)CC1)CC(F)(F)F ZINC000414518541 942570889 /nfs/dbraw/zinc/57/08/89/942570889.db2.gz VBYXPDRCFCNVHX-MRXNPFEDSA-N 1 3 357.464 3.897 20 0 FHADHO COc1ccc([C@@H](C[NH3+])CN2CCC[C@@H]2c2ccc(OC)cc2OC)cc1 ZINC000420300997 942611232 /nfs/dbraw/zinc/61/12/32/942611232.db2.gz IHPFAQNYCHGSDM-LAUBAEHRSA-N 1 3 370.493 3.592 20 0 FHADHO COC(=O)c1sc2ccccc2c1CN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000420324604 942617637 /nfs/dbraw/zinc/61/76/37/942617637.db2.gz ZXDJJGBLDKLBFP-OAHLLOKOSA-N 1 3 358.507 3.509 20 0 FHADHO COc1ccc([C@H](CN)C[NH+]2CCC(Nc3cccc(C)c3)CC2)cc1 ZINC000420318656 942618983 /nfs/dbraw/zinc/61/89/83/942618983.db2.gz OHZXMJXSRXTEOZ-LJQANCHMSA-N 1 3 353.510 3.622 20 0 FHADHO CC(C)N(Cc1ccccc1)C(=O)[C@H](C)N1CCC(CCC[NH+](C)C)CC1 ZINC000501776423 942667456 /nfs/dbraw/zinc/66/74/56/942667456.db2.gz OAUYRKKPVBMLLQ-FQEVSTJZSA-N 1 3 373.585 3.866 20 0 FHADHO CO[C@H](CN[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C)c1cccc(Cl)c1 ZINC000378405663 942732092 /nfs/dbraw/zinc/73/20/92/942732092.db2.gz SAVJAEMZWFJMJR-XWPNQZOQSA-N 1 3 366.933 3.507 20 0 FHADHO CO[C@H](CN[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C)c1cccc(Cl)c1 ZINC000378405663 942732093 /nfs/dbraw/zinc/73/20/93/942732093.db2.gz SAVJAEMZWFJMJR-XWPNQZOQSA-N 1 3 366.933 3.507 20 0 FHADHO COc1ccc([C@@H](C)[NH2+]C[C@H]2CCCC[C@@H]2O)cc1CN1CCCCC1 ZINC000183011975 942815765 /nfs/dbraw/zinc/81/57/65/942815765.db2.gz VVYHWHDBOGUYKE-QFUCXCTJSA-N 1 3 360.542 3.883 20 0 FHADHO Cc1ccc2c(CN[C@@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)ccc(O)c2n1 ZINC000514248351 942849692 /nfs/dbraw/zinc/84/96/92/942849692.db2.gz ORKPNTZSHUCPOE-FUHWJXTLSA-N 1 3 353.510 3.991 20 0 FHADHO Cc1ccc2c(CN[C@@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)ccc(O)c2n1 ZINC000514248351 942849694 /nfs/dbraw/zinc/84/96/94/942849694.db2.gz ORKPNTZSHUCPOE-FUHWJXTLSA-N 1 3 353.510 3.991 20 0 FHADHO C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc2c(c1)COC2 ZINC000272774819 943218620 /nfs/dbraw/zinc/21/86/20/943218620.db2.gz UDXTUPQYTZQEMK-GAJHUEQPSA-N 1 3 366.505 3.524 20 0 FHADHO C[C@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc2c(c1)COC2 ZINC000272774819 943218627 /nfs/dbraw/zinc/21/86/27/943218627.db2.gz UDXTUPQYTZQEMK-GAJHUEQPSA-N 1 3 366.505 3.524 20 0 FHADHO C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc2c(c1)COC2 ZINC000272774826 943218733 /nfs/dbraw/zinc/21/87/33/943218733.db2.gz UDXTUPQYTZQEMK-SBUREZEXSA-N 1 3 366.505 3.524 20 0 FHADHO C[C@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc2c(c1)COC2 ZINC000272774826 943218738 /nfs/dbraw/zinc/21/87/38/943218738.db2.gz UDXTUPQYTZQEMK-SBUREZEXSA-N 1 3 366.505 3.524 20 0 FHADHO CC[C@H](NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422704867 943240003 /nfs/dbraw/zinc/24/00/03/943240003.db2.gz ARBIFXIMYPFWAF-OALUTQOASA-N 1 3 369.475 3.790 20 0 FHADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000422706652 943240931 /nfs/dbraw/zinc/24/09/31/943240931.db2.gz FRSLSMMNSASFOQ-FXAWDEMLSA-N 1 3 355.457 3.685 20 0 FHADHO N[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ccccc3Br)C2)c2ccccc21 ZINC000422710558 943243826 /nfs/dbraw/zinc/24/38/26/943243826.db2.gz LLWLYWXZTBTUOW-VHSSKADRSA-N 1 3 372.310 3.762 20 0 FHADHO NC[C@H]1CCCC[C@H]1[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000422762095 943265443 /nfs/dbraw/zinc/26/54/43/943265443.db2.gz NKBGYYXPEOBWRE-CRAIPNDOSA-N 1 3 370.459 3.861 20 0 FHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCCN(c2ccccc2Cl)C1 ZINC000422775197 943278258 /nfs/dbraw/zinc/27/82/58/943278258.db2.gz AMZSEQQOGXWMIC-RDJZCZTQSA-N 1 3 358.917 3.822 20 0 FHADHO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)N ZINC000422786272 943282501 /nfs/dbraw/zinc/28/25/01/943282501.db2.gz KRRUPYNRSJLVFE-HXOBKFHXSA-N 1 3 362.521 3.596 20 0 FHADHO C[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)Oc1cccc(Br)c1 ZINC000422799556 943287917 /nfs/dbraw/zinc/28/79/17/943287917.db2.gz XFVMQOXONMSJFK-XFKAJCMBSA-N 1 3 367.331 3.727 20 0 FHADHO Cc1nc(C[NH3+])ccc1[C@H](C)NCc1ccc(OCC(F)(F)F)cc1 ZINC000422800057 943288527 /nfs/dbraw/zinc/28/85/27/943288527.db2.gz ANDPCOKWKRRCTF-LBPRGKRZSA-N 1 3 353.388 3.641 20 0 FHADHO CCOCc1ccccc1CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422810010 943290791 /nfs/dbraw/zinc/29/07/91/943290791.db2.gz QSOIRWRCJOSPAF-IRLDBZIGSA-N 1 3 352.478 3.569 20 0 FHADHO C[C@]1(C[NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)CCCS1 ZINC000628295837 943291127 /nfs/dbraw/zinc/29/11/27/943291127.db2.gz MLNUHIQPOGTJLA-LEWJYISDSA-N 1 3 374.594 3.791 20 0 FHADHO Cc1ccc([C@@H]2OCCC[C@H]2C[NH2+][C@@H](C)c2ccc(CN)nc2C)cc1 ZINC000422813370 943293172 /nfs/dbraw/zinc/29/31/72/943293172.db2.gz YAOXJGGZULUTEW-BPXKWBHBSA-N 1 3 353.510 3.976 20 0 FHADHO Cc1ccc([C@@H](C[NH2+][C@@H](C)c2ccc(CN)nc2C)N2CCCC2)cc1 ZINC000422828583 943297881 /nfs/dbraw/zinc/29/78/81/943297881.db2.gz OIPICVJXLXQACQ-HTAPYJJXSA-N 1 3 352.526 3.645 20 0 FHADHO C[C@H](CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)c1c(Cl)cccc1Cl ZINC000422883281 943316606 /nfs/dbraw/zinc/31/66/06/943316606.db2.gz UPWVULBJPRCQOY-BQGCOEIASA-N 1 3 357.325 3.844 20 0 FHADHO Cc1nccn1-c1ccc(CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1F ZINC000422903357 943325083 /nfs/dbraw/zinc/32/50/83/943325083.db2.gz OILUJPXUFSFJGH-YSIASYRMSA-N 1 3 356.489 3.720 20 0 FHADHO CCCOc1ccc(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422902220 943325154 /nfs/dbraw/zinc/32/51/54/943325154.db2.gz UEWVUZVFBFVJOD-RBBKRZOGSA-N 1 3 352.478 3.821 20 0 FHADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@@H]1CCc2cc(Br)ccc21 ZINC000422939425 943338926 /nfs/dbraw/zinc/33/89/26/943338926.db2.gz RLZJIFUUTNCSGM-KZULUSFZSA-N 1 3 360.299 3.949 20 0 FHADHO CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)N)c1 ZINC000422942462 943340051 /nfs/dbraw/zinc/34/00/51/943340051.db2.gz KIOGJQHUCWVBSN-CSODHUTKSA-N 1 3 353.510 3.719 20 0 FHADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)Nc1cccc(CN2CCSCC2)c1 ZINC000422955767 943349585 /nfs/dbraw/zinc/34/95/85/943349585.db2.gz NKEKSRQAZMECQV-UWJYYQICSA-N 1 3 355.551 3.606 20 0 FHADHO COc1cc(CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(-c2ccccc2)cc1OC ZINC000435377641 943357811 /nfs/dbraw/zinc/35/78/11/943357811.db2.gz DWDNAAHMNWTXPH-DBVUQKKJSA-N 1 3 352.478 3.540 20 0 FHADHO CN(Cc1ccco1)Cc1ccccc1CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423003290 943361572 /nfs/dbraw/zinc/36/15/72/943361572.db2.gz HHFBAHLYJCOTLU-XPWALMASSA-N 1 3 367.537 3.922 20 0 FHADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000423014460 943364688 /nfs/dbraw/zinc/36/46/88/943364688.db2.gz PDNZXZMEYKCDLS-FZMZJTMJSA-N 1 3 365.827 3.630 20 0 FHADHO CCN(CC)[C@H](CNC(=O)C[C@H](c1ccccc1)[NH+](C)C)c1ccsc1 ZINC000431923795 943365125 /nfs/dbraw/zinc/36/51/25/943365125.db2.gz OADPNQPUSTVZDH-WOJBJXKFSA-N 1 3 373.566 3.940 20 0 FHADHO C[C@H]1CC[NH2+]C[C@@H]1NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000423036506 943373316 /nfs/dbraw/zinc/37/33/16/943373316.db2.gz UEUNSZRWQFXSGR-UGSOOPFHSA-N 1 3 356.341 3.545 20 0 FHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000423038891 943373710 /nfs/dbraw/zinc/37/37/10/943373710.db2.gz DJPIURZEBIVLGD-UKRRQHHQSA-N 1 3 362.880 3.571 20 0 FHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000423038890 943374030 /nfs/dbraw/zinc/37/40/30/943374030.db2.gz DJPIURZEBIVLGD-HIFRSBDPSA-N 1 3 362.880 3.571 20 0 FHADHO CC(C)(CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)c1cccc(Cl)c1F ZINC000423057187 943376851 /nfs/dbraw/zinc/37/68/51/943376851.db2.gz ZLKZAPZRFXBFMX-KBRIMQKVSA-N 1 3 354.897 3.503 20 0 FHADHO CN(C)[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1cccc(C(F)(F)F)c1 ZINC000423049578 943383758 /nfs/dbraw/zinc/38/37/58/943383758.db2.gz KGUIJDUFKNLBGU-FCGDIQPGSA-N 1 3 369.475 3.818 20 0 FHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000423051462 943383855 /nfs/dbraw/zinc/38/38/55/943383855.db2.gz NJWHZWXYEOGROO-DQLDELGASA-N 1 3 353.510 3.883 20 0 FHADHO Fc1ccc([C@H]2C[C@H](NC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1Br ZINC000423094105 943392077 /nfs/dbraw/zinc/39/20/77/943392077.db2.gz JJMOPAHROSDIOV-KWIKQGISSA-N 1 3 353.279 3.707 20 0 FHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H](Cc1ccccc1)C(F)(F)F ZINC000423123868 943398558 /nfs/dbraw/zinc/39/85/58/943398558.db2.gz NPSGIVSEIZCIEC-BBRMVZONSA-N 1 3 351.416 3.921 20 0 FHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000423132798 943413735 /nfs/dbraw/zinc/41/37/35/943413735.db2.gz UWKOICLUKSRARL-OPAMFIHVSA-N 1 3 370.541 3.589 20 0 FHADHO Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)NCCC[NH3+] ZINC000423175121 943427301 /nfs/dbraw/zinc/42/73/01/943427301.db2.gz DBLKJGSEEBXWJQ-SNVBAGLBSA-N 1 3 354.317 3.880 20 0 FHADHO COCCOc1ccc([C@H](C)NCc2ccc([C@H](C)[NH3+])cc2)cc1OC ZINC000423292963 943467369 /nfs/dbraw/zinc/46/73/69/943467369.db2.gz PDMIYOXVKQLGQP-HOTGVXAUSA-N 1 3 358.482 3.591 20 0 FHADHO COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]CC2(N)C3CC4CC(C3)CC2C4)C1 ZINC000423529905 943538546 /nfs/dbraw/zinc/53/85/46/943538546.db2.gz QMLJJYCCVAHONT-RAPHYUROSA-N 1 3 362.558 3.632 20 0 FHADHO C[C@@H]1C[C@H](CN2CCO[C@@H](c3ccc(Br)cc3)[C@@H]2C)CC[NH2+]1 ZINC000414752103 943566323 /nfs/dbraw/zinc/56/63/23/943566323.db2.gz JYXFCCKREHDDMA-BASYENTBSA-N 1 3 367.331 3.599 20 0 FHADHO C[C@H]([NH3+])c1ccc(C(=O)N(CCN(C)C)Cc2cccc(Cl)c2)cc1 ZINC000423752835 943608960 /nfs/dbraw/zinc/60/89/60/943608960.db2.gz WSVCKSKYIRLOPE-HNNXBMFYSA-N 1 3 359.901 3.564 20 0 FHADHO CCOc1c(Cl)cc(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1OC ZINC000414773974 943729678 /nfs/dbraw/zinc/72/96/78/943729678.db2.gz FAOCPYWZMOYLMY-CVEARBPZSA-N 1 3 352.906 3.569 20 0 FHADHO CCN1CC[C@H]([NH2+]CC[C@@H]2CCCCN2C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000549475065 943742421 /nfs/dbraw/zinc/74/24/21/943742421.db2.gz CEINWNYWAPYGCX-ZAAXVRCTSA-N 1 3 369.475 3.703 20 0 FHADHO C[C@H]([NH2+]CC[C@@H]1Sc2ccccc2NC1=O)[C@H]1CCCN(C2CCC2)C1 ZINC000660257426 943795791 /nfs/dbraw/zinc/79/57/91/943795791.db2.gz SUAIWSNOQDUFOW-FTRWYGJKSA-N 1 3 373.566 3.732 20 0 FHADHO CCOc1cccc(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1OC(F)F ZINC000414782764 943845680 /nfs/dbraw/zinc/84/56/80/943845680.db2.gz OUHOEWRCMUYSOU-HUUCEWRRSA-N 1 3 354.441 3.508 20 0 FHADHO O=C(CCNCc1ccccc1C[NH+]1CCCCCC1)Nc1cccnc1 ZINC000515415929 943861793 /nfs/dbraw/zinc/86/17/93/943861793.db2.gz YJNBJIYPTRUELA-UHFFFAOYSA-N 1 3 366.509 3.576 20 0 FHADHO Cc1ccncc1CCC[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000516962706 943868080 /nfs/dbraw/zinc/86/80/80/943868080.db2.gz DWENKFTYTTYGJV-BGYRXZFFSA-N 1 3 359.558 3.534 20 0 FHADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)CCC3CCCCC3)CC2)CC1 ZINC000517039538 943942140 /nfs/dbraw/zinc/94/21/40/943942140.db2.gz YOLRJDKUNUBHGM-UHFFFAOYSA-N 1 3 363.590 3.612 20 0 FHADHO CCOc1cc(CN[C@H]2CCCC[C@@H]2C[NH3+])ccc1OCC(F)(F)F ZINC000414794933 943971646 /nfs/dbraw/zinc/97/16/46/943971646.db2.gz GGZXRWIENQELSE-CABCVRRESA-N 1 3 360.420 3.634 20 0 FHADHO C[C@@H](C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)N1[C@H](C)CC[C@H]1C ZINC000511643758 943980121 /nfs/dbraw/zinc/98/01/21/943980121.db2.gz FDRMCFTZBMMMEV-QRVBRYPASA-N 1 3 357.542 3.915 20 0 FHADHO CCOc1cc(CNCc2ccc([C@H](C)[NH3+])cc2)ccc1OC(F)F ZINC000414808548 944071097 /nfs/dbraw/zinc/07/10/97/944071097.db2.gz KYVJHKYKMFQWMW-ZDUSSCGKSA-N 1 3 350.409 3.996 20 0 FHADHO CC(C)[C@@H](Cc1ccc(F)cc1)[N@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000500121075 944136110 /nfs/dbraw/zinc/13/61/10/944136110.db2.gz ZCXJTUVEEXHDKJ-JOCHJYFZSA-N 1 3 363.565 3.741 20 0 FHADHO CC(C)[C@@H](Cc1ccc(F)cc1)[N@@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000500121075 944136113 /nfs/dbraw/zinc/13/61/13/944136113.db2.gz ZCXJTUVEEXHDKJ-JOCHJYFZSA-N 1 3 363.565 3.741 20 0 FHADHO COc1cc(C[N@H+]2C[C@H]3CN(Cc4ccccc4)CC[C@@H]3C2)cc(OC)c1 ZINC000517267641 944169935 /nfs/dbraw/zinc/16/99/35/944169935.db2.gz CCGQTZOCJAFOLT-NHCUHLMSSA-N 1 3 366.505 3.658 20 0 FHADHO COc1cc(C[N@@H+]2C[C@H]3CN(Cc4ccccc4)CC[C@@H]3C2)cc(OC)c1 ZINC000517267641 944169938 /nfs/dbraw/zinc/16/99/38/944169938.db2.gz CCGQTZOCJAFOLT-NHCUHLMSSA-N 1 3 366.505 3.658 20 0 FHADHO C[C@H](C[NH2+][C@@H](C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1)CN(C)C ZINC000425920211 944173288 /nfs/dbraw/zinc/17/32/88/944173288.db2.gz JYFYUZAXWLSWDP-RYRKJORJSA-N 1 3 352.494 3.622 20 0 FHADHO CCN1CCN(c2ccccc2C[NH2+][C@@H]2CCCc3cc(N)ccc32)CC1 ZINC000414921615 944316732 /nfs/dbraw/zinc/31/67/32/944316732.db2.gz DYBHPOARUJLFFG-JOCHJYFZSA-N 1 3 364.537 3.578 20 0 FHADHO C[C@H](NC[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1ccc(-n2cncn2)cc1 ZINC000366694501 944553699 /nfs/dbraw/zinc/55/36/99/944553699.db2.gz JTPZGUIUDIFJFY-UCNVEGJOSA-N 1 3 361.493 3.611 20 0 FHADHO C[C@H](NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)c1ccc(-n2cncn2)cc1 ZINC000366694501 944553707 /nfs/dbraw/zinc/55/37/07/944553707.db2.gz JTPZGUIUDIFJFY-UCNVEGJOSA-N 1 3 361.493 3.611 20 0 FHADHO CCOc1ccc(CNCc2c(Cl)cccc2N2CC[NH+](C)CC2)cc1 ZINC000608071181 944622790 /nfs/dbraw/zinc/62/27/90/944622790.db2.gz SAGSFDRVRILFFA-UHFFFAOYSA-N 1 3 373.928 3.780 20 0 FHADHO CC[NH+](CC)CC1CCN(Cc2cc(OC)c(OC)cc2SC)CC1 ZINC000506927045 944764982 /nfs/dbraw/zinc/76/49/82/944764982.db2.gz MFIQZYRCRINUNJ-UHFFFAOYSA-N 1 3 366.571 3.980 20 0 FHADHO C[C@@H]1CN(CCC2CC[NH+](CCCOc3ccccc3)CC2)C[C@@H](C)O1 ZINC000426775176 944792326 /nfs/dbraw/zinc/79/23/26/944792326.db2.gz RPIPBHHVGZZOPB-WOJBJXKFSA-N 1 3 360.542 3.667 20 0 FHADHO CCN1CCN(c2ccccc2C[NH2+]C[C@H]2CCCC(F)(F)C2)CC1 ZINC000500416873 944840545 /nfs/dbraw/zinc/84/05/45/944840545.db2.gz PTJQIGPBZUZAAY-KRWDZBQOSA-N 1 3 351.485 3.744 20 0 FHADHO C[C@H](N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1cccc(-n2cccn2)c1 ZINC000516450343 944875046 /nfs/dbraw/zinc/87/50/46/944875046.db2.gz DDHQTMFFAIBOKJ-AMHTUMDSSA-N 1 3 374.488 3.779 20 0 FHADHO Cc1ccc(CN2CCC3(CC[N@H+](CCCC(F)(F)F)C3)CC2)c(N)n1 ZINC001279135348 944908971 /nfs/dbraw/zinc/90/89/71/944908971.db2.gz KNWFLSOYHPGDLL-UHFFFAOYSA-N 1 3 370.463 3.603 20 0 FHADHO Cc1ccc(CN2CCC3(CC[N@@H+](CCCC(F)(F)F)C3)CC2)c(N)n1 ZINC001279135348 944908977 /nfs/dbraw/zinc/90/89/77/944908977.db2.gz KNWFLSOYHPGDLL-UHFFFAOYSA-N 1 3 370.463 3.603 20 0 FHADHO CCOc1cc2nccc(N3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)c2cc1OCC ZINC000301700509 945922612 /nfs/dbraw/zinc/92/26/12/945922612.db2.gz FLBHWXAFKCYAEN-VQIMIIECSA-N 1 3 369.509 3.953 20 0 FHADHO CCOc1cc2nccc(N3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)c2cc1OCC ZINC000301700509 945922615 /nfs/dbraw/zinc/92/26/15/945922615.db2.gz FLBHWXAFKCYAEN-VQIMIIECSA-N 1 3 369.509 3.953 20 0 FHADHO C[C@@H](Nc1cc[nH+]c2cc(C(F)(F)F)ccc12)[C@H](C)N1CCOCC1 ZINC000301802763 945973783 /nfs/dbraw/zinc/97/37/83/945973783.db2.gz UCNJWDOGNBCLNP-OLZOCXBDSA-N 1 3 353.388 3.775 20 0 FHADHO C[C@H](CC[NH+]1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1)OCc1ccccc1 ZINC000475056674 946020665 /nfs/dbraw/zinc/02/06/65/946020665.db2.gz LKISGFVMYJJRIA-HKBOAZHASA-N 1 3 374.569 3.803 20 0 FHADHO CCCN1CCC[C@@H]1C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000522893915 946074775 /nfs/dbraw/zinc/07/47/75/946074775.db2.gz ICTYQVALXZJIPS-GHTZIAJQSA-N 1 3 357.542 3.552 20 0 FHADHO CCCN1CCC[C@@H]1C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000522893915 946074785 /nfs/dbraw/zinc/07/47/85/946074785.db2.gz ICTYQVALXZJIPS-GHTZIAJQSA-N 1 3 357.542 3.552 20 0 FHADHO COC(=O)C1(C)CCN([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168055696 946300717 /nfs/dbraw/zinc/30/07/17/946300717.db2.gz XRMQMSLHJHTELW-OPVJXMOQSA-N 1 3 358.526 3.703 20 0 FHADHO COC(=O)C1(C)CCN([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168055696 946300729 /nfs/dbraw/zinc/30/07/29/946300729.db2.gz XRMQMSLHJHTELW-OPVJXMOQSA-N 1 3 358.526 3.703 20 0 FHADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H]3CCCC(C)(C)C3)CC2)CC1 ZINC000520251568 946322281 /nfs/dbraw/zinc/32/22/81/946322281.db2.gz GNHAGGDJOVRMIU-GOSISDBHSA-N 1 3 363.590 3.515 20 0 FHADHO C[C@H]1CC(N2CC[C@@H](N3CCCC3)[C@@H](F)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168067323 946356502 /nfs/dbraw/zinc/35/65/02/946356502.db2.gz TYYBJOURNCFNIU-DHNNRRLOSA-N 1 3 373.560 3.936 20 0 FHADHO C[C@@H]1CC(N2CC[C@@H](N3CCCC3)[C@@H](F)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168067325 946357036 /nfs/dbraw/zinc/35/70/36/946357036.db2.gz TYYBJOURNCFNIU-PJIZGREPSA-N 1 3 373.560 3.936 20 0 FHADHO C[C@@H]1C[C@@H](N2CC[C@@H](N3CCCC3)[C@@H](F)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168067326 946357181 /nfs/dbraw/zinc/35/71/81/946357181.db2.gz TYYBJOURNCFNIU-UCBRCEGISA-N 1 3 373.560 3.936 20 0 FHADHO C[C@@H]1C[C@@H](N2CC[C@@H](N3CCCC3)[C@@H](F)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168067326 946357194 /nfs/dbraw/zinc/35/71/94/946357194.db2.gz TYYBJOURNCFNIU-UCBRCEGISA-N 1 3 373.560 3.936 20 0 FHADHO C[C@H]([NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000893488940 946430424 /nfs/dbraw/zinc/43/04/24/946430424.db2.gz VTUOAZOIJYNXCT-WNRNVDISSA-N 1 3 365.562 3.532 20 0 FHADHO CC[C@@H](Cc1ccc(C)cc1)N(CC)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000441356720 946475785 /nfs/dbraw/zinc/47/57/85/946475785.db2.gz QISMWLOAQFBZPR-QFIPXVFZSA-N 1 3 373.585 3.627 20 0 FHADHO CC(C)N(C)c1ccc(C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000475224250 946746509 /nfs/dbraw/zinc/74/65/09/946746509.db2.gz MWDXNQXPFJEGCU-NRFANRHFSA-N 1 3 352.526 3.538 20 0 FHADHO CC(C)Oc1ccc(CN2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1Cl ZINC000652350356 946894854 /nfs/dbraw/zinc/89/48/54/946894854.db2.gz UMPZDEBXEFFIRW-QKLQHJQFSA-N 1 3 366.933 3.846 20 0 FHADHO CN(C)Cc1ccc(Br)c(N(C(N)=[NH2+])c2ccc(F)cc2)c1 ZINC001167994332 946903252 /nfs/dbraw/zinc/90/32/52/946903252.db2.gz HSHVIVUHBDVBEO-UHFFFAOYSA-N 1 3 365.250 3.681 20 0 FHADHO OC1CC[NH+](Cc2ccc(CNCc3ccc(C(F)F)cc3)cc2)CC1 ZINC000526973279 946969228 /nfs/dbraw/zinc/96/92/28/946969228.db2.gz MKRCMQQOECPMJM-UHFFFAOYSA-N 1 3 360.448 3.871 20 0 FHADHO Cc1noc([C@@H]2CCN([C@@H]3C[C@@H](C)[N@H+](Cc4ccccc4)[C@@H](C)C3)C2)n1 ZINC001168064610 947066759 /nfs/dbraw/zinc/06/67/59/947066759.db2.gz QRIFZMCXXRUBGW-WOUAJJJCSA-N 1 3 354.498 3.609 20 0 FHADHO Cc1noc([C@@H]2CCN([C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)[C@@H](C)C3)C2)n1 ZINC001168064610 947066769 /nfs/dbraw/zinc/06/67/69/947066769.db2.gz QRIFZMCXXRUBGW-WOUAJJJCSA-N 1 3 354.498 3.609 20 0 FHADHO C[C@H]1CN(Cc2ccc(-c3cccs3)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000444669976 947093897 /nfs/dbraw/zinc/09/38/97/947093897.db2.gz HRAPHVAVLGHTMS-GHTZIAJQSA-N 1 3 369.578 3.873 20 0 FHADHO C[C@@H]1CN(Cc2ccc(-c3ccsc3)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000444671931 947096599 /nfs/dbraw/zinc/09/65/99/947096599.db2.gz KJNPDCISTLFVAQ-GCJKJVERSA-N 1 3 369.578 3.873 20 0 FHADHO COc1ccc(Br)cc1C[NH2+][C@H](CCN(C)C)C(C)(C)C ZINC000523861203 947671818 /nfs/dbraw/zinc/67/18/18/947671818.db2.gz FCYQZFVYDVCZLB-MRXNPFEDSA-N 1 3 357.336 3.914 20 0 FHADHO CC[NH+](CC)CCOc1ccc(NC(=O)C[C@@H]2NCc3ccccc32)cc1 ZINC000662378306 947773875 /nfs/dbraw/zinc/77/38/75/947773875.db2.gz LVKGKOSCIGWHEO-NRFANRHFSA-N 1 3 367.493 3.580 20 0 FHADHO Cc1ccc2cc(C[NH+]3CCC(CN4C[C@@H](C)O[C@H](C)C4)CC3)ccc2n1 ZINC000189811438 947841575 /nfs/dbraw/zinc/84/15/75/947841575.db2.gz VQTDLNHFXQOSCB-RTBURBONSA-N 1 3 367.537 3.864 20 0 FHADHO CN(C(=O)CCNC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccccc1 ZINC000663360429 947850098 /nfs/dbraw/zinc/85/00/98/947850098.db2.gz WNFTXPDZRXBIMX-DYESRHJHSA-N 1 3 371.550 3.774 20 0 FHADHO CN(C(=O)CCNC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ccccc1 ZINC000663360429 947850104 /nfs/dbraw/zinc/85/01/04/947850104.db2.gz WNFTXPDZRXBIMX-DYESRHJHSA-N 1 3 371.550 3.774 20 0 FHADHO COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCCN(CC3CC3)C2)c(C)c1OC ZINC000663466601 948058056 /nfs/dbraw/zinc/05/80/56/948058056.db2.gz VYPKOXUQDUSAOY-LPHOPBHVSA-N 1 3 360.542 3.655 20 0 FHADHO CC[NH+](CC)CCC[C@H](C)N1CCN(Cc2ccccc2Cl)CC1 ZINC001167824759 948112882 /nfs/dbraw/zinc/11/28/82/948112882.db2.gz GHEBRSZRRXCKGO-SFHVURJKSA-N 1 3 351.966 3.968 20 0 FHADHO C[C@@H]1CN(CCC[NH2+]Cc2ccc(OC(F)F)c(Cl)c2)CCCO1 ZINC000432346523 948179296 /nfs/dbraw/zinc/17/92/96/948179296.db2.gz LPQPKFGTRGYIRA-CYBMUJFWSA-N 1 3 362.848 3.532 20 0 FHADHO CCN(CC)[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)c1ccsc1 ZINC000520515765 948218585 /nfs/dbraw/zinc/21/85/85/948218585.db2.gz DSCIQZMNIWYOOH-RBUKOAKNSA-N 1 3 365.587 3.758 20 0 FHADHO C[C@H]1C[C@H](CCNCc2ncc(CN(C)C)s2)C[N@@H+]1Cc1ccccc1 ZINC000512045625 948297257 /nfs/dbraw/zinc/29/72/57/948297257.db2.gz NUMPEZXBHRXQRQ-HKUYNNGSSA-N 1 3 372.582 3.595 20 0 FHADHO C[C@H]1C[C@H](CCNCc2ncc(CN(C)C)s2)C[N@H+]1Cc1ccccc1 ZINC000512045625 948297260 /nfs/dbraw/zinc/29/72/60/948297260.db2.gz NUMPEZXBHRXQRQ-HKUYNNGSSA-N 1 3 372.582 3.595 20 0 FHADHO COc1cc([C@H](C)NCCC[N@@H+]2CCCO[C@H](C)C2)ccc1SC ZINC000432412365 948358671 /nfs/dbraw/zinc/35/86/71/948358671.db2.gz BPTZOLUHGXQIEJ-CVEARBPZSA-N 1 3 352.544 3.569 20 0 FHADHO COc1cc([C@H](C)NCCC[N@H+]2CCCO[C@H](C)C2)ccc1SC ZINC000432412365 948358680 /nfs/dbraw/zinc/35/86/80/948358680.db2.gz BPTZOLUHGXQIEJ-CVEARBPZSA-N 1 3 352.544 3.569 20 0 FHADHO CCOc1ccc([C@H](C)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1OCC ZINC000432415640 948362422 /nfs/dbraw/zinc/36/24/22/948362422.db2.gz OILGXJXSGANAPA-ROUUACIJSA-N 1 3 364.530 3.636 20 0 FHADHO CCOc1ccc([C@H](C)NCCC[N@H+]2CCCO[C@@H](C)C2)cc1OCC ZINC000432415640 948362429 /nfs/dbraw/zinc/36/24/29/948362429.db2.gz OILGXJXSGANAPA-ROUUACIJSA-N 1 3 364.530 3.636 20 0 FHADHO COc1ccc2cc([C@@H](C)NCCC[N@@H+]3CCCO[C@@H](C)C3)ccc2c1 ZINC000432414966 948365270 /nfs/dbraw/zinc/36/52/70/948365270.db2.gz AYZXDOYMNHONEG-ZWKOTPCHSA-N 1 3 356.510 4.000 20 0 FHADHO COc1ccc2cc([C@@H](C)NCCC[N@H+]3CCCO[C@@H](C)C3)ccc2c1 ZINC000432414966 948365279 /nfs/dbraw/zinc/36/52/79/948365279.db2.gz AYZXDOYMNHONEG-ZWKOTPCHSA-N 1 3 356.510 4.000 20 0 FHADHO Cc1ccc([C@H](CNC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)N2CCCC2)cc1 ZINC000512094202 948405443 /nfs/dbraw/zinc/40/54/43/948405443.db2.gz HOWBLWNHABKCNM-IWFBPKFRSA-N 1 3 357.542 3.509 20 0 FHADHO Brc1cccc2c1OCCC[C@@H]2[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000152416010 948593592 /nfs/dbraw/zinc/59/35/92/948593592.db2.gz UOEGFPDYAOISAI-DYVFJYSZSA-N 1 3 365.315 3.737 20 0 FHADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccccc2OC(F)(F)F)C[C@H](C)O1 ZINC000067452736 568075537 /nfs/dbraw/zinc/07/55/37/568075537.db2.gz HHIFFSGEUZMZDL-GASCZTMLSA-N 1 3 360.420 3.564 20 0 FHADHO CCc1ccccc1[C@@H](N)CNC(=O)c1ccc(C[N@@H+](CC)C2CC2)cc1 ZINC000563117071 568220315 /nfs/dbraw/zinc/22/03/15/568220315.db2.gz SLOYUFKLPRZPEN-QFIPXVFZSA-N 1 3 365.521 3.663 20 0 FHADHO CCc1ccccc1[C@@H](N)CNC(=O)c1ccc(C[N@H+](CC)C2CC2)cc1 ZINC000563117071 568220316 /nfs/dbraw/zinc/22/03/16/568220316.db2.gz SLOYUFKLPRZPEN-QFIPXVFZSA-N 1 3 365.521 3.663 20 0 FHADHO C[C@H](c1ccc(-c2nnn[n-]2)cc1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000736194550 599308269 /nfs/dbraw/zinc/30/82/69/599308269.db2.gz AMCUDUZYLATJPP-QGZVFWFLSA-N 1 3 368.529 3.516 20 0 FHADHO C[C@H](c1ccc(-c2nn[n-]n2)cc1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000736194550 599308270 /nfs/dbraw/zinc/30/82/70/599308270.db2.gz AMCUDUZYLATJPP-QGZVFWFLSA-N 1 3 368.529 3.516 20 0 FHADHO C[C@@H](c1ccc(-c2nnn[n-]2)cc1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000824761440 607750246 /nfs/dbraw/zinc/75/02/46/607750246.db2.gz AQSJQFBMTIYCFL-KRWDZBQOSA-N 1 3 368.529 3.516 20 0 FHADHO C[C@@H](c1ccc(-c2nn[n-]n2)cc1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000824761440 607750247 /nfs/dbraw/zinc/75/02/47/607750247.db2.gz AQSJQFBMTIYCFL-KRWDZBQOSA-N 1 3 368.529 3.516 20 0 FHADHO Cc1cc(C)nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165027679 721800908 /nfs/dbraw/zinc/80/09/08/721800908.db2.gz XGACAQNEJTUVTF-SESVDKBCSA-N 1 3 350.510 3.830 20 0 FHADHO Cc1cc(C)nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165027679 721800909 /nfs/dbraw/zinc/80/09/09/721800909.db2.gz XGACAQNEJTUVTF-SESVDKBCSA-N 1 3 350.510 3.830 20 0 FHADHO CN1CC[C@]2(CC[N@H+](Cc3cccc(OCc4ccccc4F)c3)C2)C1 ZINC000430141573 927156441 /nfs/dbraw/zinc/15/64/41/927156441.db2.gz YAWMSLYHOFLYCJ-QFIPXVFZSA-N 1 3 354.469 3.932 20 0 FHADHO CN1CC[C@]2(CC[N@@H+](Cc3cccc(OCc4ccccc4F)c3)C2)C1 ZINC000430141573 927156454 /nfs/dbraw/zinc/15/64/54/927156454.db2.gz YAWMSLYHOFLYCJ-QFIPXVFZSA-N 1 3 354.469 3.932 20 0 FHADHO C[C@H]1Oc2cc(F)ccc2[C@@H]1[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000579749325 927284993 /nfs/dbraw/zinc/28/49/93/927284993.db2.gz QMWIEUWBRAEQNL-OPAMFIHVSA-N 1 3 354.469 3.944 20 0 FHADHO C[C@@H](c1ccccc1)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000471170837 928503605 /nfs/dbraw/zinc/50/36/05/928503605.db2.gz UFTKRMMNQUIJAF-IBGZPJMESA-N 1 3 353.510 3.510 20 0 FHADHO c1ccc(COc2cccc(CN3CCC(C[NH+]4CCCC4)CC3)c2)nc1 ZINC000180124504 929383671 /nfs/dbraw/zinc/38/36/71/929383671.db2.gz QCSGXKUZUJXWBE-UHFFFAOYSA-N 1 3 365.521 3.968 20 0 FHADHO O=C(CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)Nc1ccccc1 ZINC000180139215 929388560 /nfs/dbraw/zinc/38/85/60/929388560.db2.gz YLBDHHDOWPWAJJ-FRIKZZABSA-N 1 3 363.505 3.800 20 0 FHADHO O=C(CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Nc1ccccc1 ZINC000180139215 929388573 /nfs/dbraw/zinc/38/85/73/929388573.db2.gz YLBDHHDOWPWAJJ-FRIKZZABSA-N 1 3 363.505 3.800 20 0 FHADHO CCN1CCN(C[C@@H](C)C[NH2+]C(c2ccccc2)c2ccccc2)CC1 ZINC000180440001 929512531 /nfs/dbraw/zinc/51/25/31/929512531.db2.gz FYDCEKHJQHNVJQ-FQEVSTJZSA-N 1 3 351.538 3.639 20 0 FHADHO C[C@H](NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000126470560 937388356 /nfs/dbraw/zinc/38/83/56/937388356.db2.gz PGSUXOTVEZTOAX-LRLLJDFBSA-N 1 3 356.514 3.636 20 0 FHADHO C[C@H](NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000126470560 937388359 /nfs/dbraw/zinc/38/83/59/937388359.db2.gz PGSUXOTVEZTOAX-LRLLJDFBSA-N 1 3 356.514 3.636 20 0 FHADHO O[C@@H](C[NH2+]C1CCN(C2CCCC2)CC1)Cc1ccc2ccccc2c1 ZINC000581066768 931536224 /nfs/dbraw/zinc/53/62/24/931536224.db2.gz WKMWBSYOUNVOBO-HSZRJFAPSA-N 1 3 352.522 3.740 20 0 FHADHO CCN(CC)[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)c1ccsc1 ZINC000510367758 931654550 /nfs/dbraw/zinc/65/45/50/931654550.db2.gz TVTJBMQTMAGZTH-WMZOPIPTSA-N 1 3 351.560 3.512 20 0 FHADHO COC[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cccc(Cl)c1 ZINC000581362701 931898278 /nfs/dbraw/zinc/89/82/78/931898278.db2.gz BRCSEOMRTWUDOU-JTDSTZFVSA-N 1 3 354.922 3.507 20 0 FHADHO CC(=O)Nc1ccc(C[NH+]2CCC(N[C@@H]3CCCc4occc43)CC2)cc1 ZINC000581411653 931996935 /nfs/dbraw/zinc/99/69/35/931996935.db2.gz IHZRHPRQBAPUEP-OAQYLSRUSA-N 1 3 367.493 3.870 20 0 FHADHO CC(=O)Nc1ccc(C[NH+]2CCC(N[C@H]3CCCc4occc43)CC2)cc1 ZINC000581411652 931997219 /nfs/dbraw/zinc/99/72/19/931997219.db2.gz IHZRHPRQBAPUEP-NRFANRHFSA-N 1 3 367.493 3.870 20 0 FHADHO c1ccc(CN2CC[C@]3(C2)CCC[N@H+](Cc2cccc4nonc42)C3)cc1 ZINC001203143182 932293447 /nfs/dbraw/zinc/29/34/47/932293447.db2.gz SYAOTUJXNRYTAR-JOCHJYFZSA-N 1 3 362.477 3.711 20 0 FHADHO c1ccc(CN2CC[C@]3(C2)CCC[N@@H+](Cc2cccc4nonc42)C3)cc1 ZINC001203143182 932293454 /nfs/dbraw/zinc/29/34/54/932293454.db2.gz SYAOTUJXNRYTAR-JOCHJYFZSA-N 1 3 362.477 3.711 20 0 FHADHO c1ccc(C[N@H+]2CC[C@@H](NC[C@@H]3COc4ccccc4O3)CC23CC3)cc1 ZINC000647167193 932303586 /nfs/dbraw/zinc/30/35/86/932303586.db2.gz WHEJFVHFOLNJQN-WOJBJXKFSA-N 1 3 364.489 3.613 20 0 FHADHO c1ccc(C[N@@H+]2CC[C@@H](NC[C@@H]3COc4ccccc4O3)CC23CC3)cc1 ZINC000647167193 932303594 /nfs/dbraw/zinc/30/35/94/932303594.db2.gz WHEJFVHFOLNJQN-WOJBJXKFSA-N 1 3 364.489 3.613 20 0 FHADHO COc1cc(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)c(SC)cc1OC ZINC000656786956 932425793 /nfs/dbraw/zinc/42/57/93/932425793.db2.gz YCBHRFNCYUNLBP-MRXNPFEDSA-N 1 3 364.555 3.637 20 0 FHADHO C[C@H]1C[C@H](NCCN2CCc3sccc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000581844103 932731983 /nfs/dbraw/zinc/73/19/83/932731983.db2.gz UURGNVIYDKLYKP-GHTZIAJQSA-N 1 3 369.578 3.749 20 0 FHADHO C[C@H]1C[C@H](NCCN2CCc3sccc3C2)CC[N@H+]1Cc1ccccc1 ZINC000581844103 932731985 /nfs/dbraw/zinc/73/19/85/932731985.db2.gz UURGNVIYDKLYKP-GHTZIAJQSA-N 1 3 369.578 3.749 20 0 FHADHO Cc1ncc([C@@H](C)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)s1 ZINC000090971356 933113195 /nfs/dbraw/zinc/11/31/95/933113195.db2.gz ZMPHZDMSIONMGM-MRXNPFEDSA-N 1 3 370.566 3.834 20 0 FHADHO CC(=O)Nc1cccc(CN2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)c1 ZINC000471854959 933154792 /nfs/dbraw/zinc/15/47/92/933154792.db2.gz CPJUATWKYYOETQ-GMAHTHKFSA-N 1 3 365.521 3.817 20 0 FHADHO CCC[N@H+](Cc1cc(Br)cc2cccnc21)C1CCNCC1 ZINC000431069606 933780585 /nfs/dbraw/zinc/78/05/85/933780585.db2.gz MKEMMHNVTMGXDE-UHFFFAOYSA-N 1 3 362.315 3.961 20 0 FHADHO CCC[N@@H+](Cc1cc(Br)cc2cccnc21)C1CCNCC1 ZINC000431069606 933780590 /nfs/dbraw/zinc/78/05/90/933780590.db2.gz MKEMMHNVTMGXDE-UHFFFAOYSA-N 1 3 362.315 3.961 20 0 FHADHO CCCN(Cc1cc(Br)cc2cccnc21)C1CC[NH2+]CC1 ZINC000431069606 933780597 /nfs/dbraw/zinc/78/05/97/933780597.db2.gz MKEMMHNVTMGXDE-UHFFFAOYSA-N 1 3 362.315 3.961 20 0 FHADHO CCN1CCN(c2ccccc2C[NH+]2CCC(OC(C)(C)C)CC2)CC1 ZINC000092454308 934057997 /nfs/dbraw/zinc/05/79/97/934057997.db2.gz NBTOTACTICZFGJ-UHFFFAOYSA-N 1 3 359.558 3.608 20 0 FHADHO CN(Cc1ccccc1)CC(C)(C)C[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000093741689 934170011 /nfs/dbraw/zinc/17/00/11/934170011.db2.gz RLTMZZRTVKMYSO-UHFFFAOYSA-N 1 3 371.569 3.622 20 0 FHADHO CCCN1CCN(c2ccccc2C[NH+]2CCC(OC(C)C)CC2)CC1 ZINC000535796968 934391227 /nfs/dbraw/zinc/39/12/27/934391227.db2.gz KAASPVWEHBHZMC-UHFFFAOYSA-N 1 3 359.558 3.608 20 0 FHADHO C[C@H]1CN(CC2CC[NH+](Cc3ccnc4ccccc34)CC2)C[C@H](C)O1 ZINC000535827854 934528127 /nfs/dbraw/zinc/52/81/27/934528127.db2.gz CEJQCTKAHQORGF-ROUUACIJSA-N 1 3 353.510 3.556 20 0 FHADHO C[C@@H](O)C[NH+]1CCC(CN(C)Cc2cnc(C3CCCCC3)s2)CC1 ZINC000535833986 934571769 /nfs/dbraw/zinc/57/17/69/934571769.db2.gz DQRGLZKXTXRKOQ-MRXNPFEDSA-N 1 3 365.587 3.715 20 0 FHADHO COCC[N@H+](C)CCCC1CCN([C@H](C)c2nc3ccccc3o2)CC1 ZINC000181210591 934601003 /nfs/dbraw/zinc/60/10/03/934601003.db2.gz WMUWYBUQQGLIIA-QGZVFWFLSA-N 1 3 359.514 3.959 20 0 FHADHO COCC[N@@H+](C)CCCC1CCN([C@H](C)c2nc3ccccc3o2)CC1 ZINC000181210591 934601006 /nfs/dbraw/zinc/60/10/06/934601006.db2.gz WMUWYBUQQGLIIA-QGZVFWFLSA-N 1 3 359.514 3.959 20 0 FHADHO CC1CCN([C@@H](CNC(=O)C[C@@H]([NH3+])c2ccccc2)c2cccs2)CC1 ZINC000236651471 934757888 /nfs/dbraw/zinc/75/78/88/934757888.db2.gz NZZGWKRVWQOFTD-MOPGFXCFSA-N 1 3 371.550 3.727 20 0 FHADHO Cc1ccc([C@@H](C)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)s1 ZINC000156887085 934968482 /nfs/dbraw/zinc/96/84/82/934968482.db2.gz XFNZOLVZNVVVIX-APWZRJJASA-N 1 3 371.550 3.605 20 0 FHADHO Cc1ccc([C@@H](C)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)s1 ZINC000156887085 934968487 /nfs/dbraw/zinc/96/84/87/934968487.db2.gz XFNZOLVZNVVVIX-APWZRJJASA-N 1 3 371.550 3.605 20 0 FHADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(Br)cc1 ZINC000537969299 934993241 /nfs/dbraw/zinc/99/32/41/934993241.db2.gz SVJWVGSTOOAZCM-OWCLPIDISA-N 1 3 369.347 3.989 20 0 FHADHO CC(C)c1ccc([C@H]([NH3+])CNC(=O)c2cccc(CN3CCCC3)c2)cc1 ZINC000152000267 935156129 /nfs/dbraw/zinc/15/61/29/935156129.db2.gz QSEKUKAPSQNNCL-JOCHJYFZSA-N 1 3 365.521 3.836 20 0 FHADHO CN(C)CC(C)(C)C[NH+]1CCC(Oc2ccc(Br)cc2)CC1 ZINC001207285418 935512844 /nfs/dbraw/zinc/51/28/44/935512844.db2.gz JXMYBADJTQBGKP-UHFFFAOYSA-N 1 3 369.347 3.880 20 0 FHADHO C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1ccnn1CC1CC1 ZINC000657398786 935556561 /nfs/dbraw/zinc/55/65/61/935556561.db2.gz MSQBQDPVAVHZHS-ROUUACIJSA-N 1 3 352.526 3.539 20 0 FHADHO CSc1ccc([C@@H](C)[NH2+]Cc2cccnc2N2CCN(C)CC2)cc1F ZINC000158467121 935584711 /nfs/dbraw/zinc/58/47/11/935584711.db2.gz XIMAGLGOTJSWFV-OAHLLOKOSA-N 1 3 374.529 3.545 20 0 FHADHO COCCC[NH+]1CCC(N[C@H](C)c2cccc(-c3ccncc3)c2)CC1 ZINC000159238412 935819127 /nfs/dbraw/zinc/81/91/27/935819127.db2.gz VRKMBBUSENQKFW-GOSISDBHSA-N 1 3 353.510 3.900 20 0 FHADHO Clc1ccc(OCc2cccnc2)c(CN2CCC3(C2)CC[NH2+]CC3)c1 ZINC000262069967 945127048 /nfs/dbraw/zinc/12/70/48/945127048.db2.gz RXYVBRCKEAXQRJ-UHFFFAOYSA-N 1 3 371.912 3.890 20 0 FHADHO CN(C)Cc1c2ccccc2oc1C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000114263892 935849565 /nfs/dbraw/zinc/84/95/65/935849565.db2.gz FDWSDPAYFBETGX-UHFFFAOYSA-N 1 3 365.477 3.851 20 0 FHADHO C[C@@H](N[C@H]1CCCc2cccnc21)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000684955166 935898050 /nfs/dbraw/zinc/89/80/50/935898050.db2.gz IMHCRVXLKCBJDQ-UZLBHIALSA-N 1 3 368.500 3.701 20 0 FHADHO C[C@H](N[C@@H]1CCCc2cccnc21)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000684955159 935898070 /nfs/dbraw/zinc/89/80/70/935898070.db2.gz IMHCRVXLKCBJDQ-OXJNMPFZSA-N 1 3 368.500 3.701 20 0 FHADHO O[C@@H]1CC[N@H+](Cc2ccc(CNCc3ccccc3C(F)(F)F)cc2)C1 ZINC000657594704 936075742 /nfs/dbraw/zinc/07/57/42/936075742.db2.gz SFOUBXZLIGMTQL-GOSISDBHSA-N 1 3 364.411 3.562 20 0 FHADHO O[C@@H]1CC[N@@H+](Cc2ccc(CNCc3ccccc3C(F)(F)F)cc2)C1 ZINC000657594704 936075745 /nfs/dbraw/zinc/07/57/45/936075745.db2.gz SFOUBXZLIGMTQL-GOSISDBHSA-N 1 3 364.411 3.562 20 0 FHADHO CC(C)Oc1ccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1 ZINC000657612255 936091792 /nfs/dbraw/zinc/09/17/92/936091792.db2.gz KNPBQVOVAYQDHX-UHFFFAOYSA-N 1 3 353.510 3.871 20 0 FHADHO c1ccc(-c2ncc(C[NH2+]CC3CCN(Cc4ccncc4)CC3)cn2)cc1 ZINC000657613150 936093826 /nfs/dbraw/zinc/09/38/26/936093826.db2.gz WSKBBCTVNQLKRW-UHFFFAOYSA-N 1 3 373.504 3.540 20 0 FHADHO CC(C)Oc1ccccc1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657612765 936099415 /nfs/dbraw/zinc/09/94/15/936099415.db2.gz RGZHBNRFSPPIEN-UHFFFAOYSA-N 1 3 353.510 3.871 20 0 FHADHO C[C@H](NCCCC[NH+]1CCN(c2ccccc2)CC1)c1cccnc1Cl ZINC000178698621 936263247 /nfs/dbraw/zinc/26/32/47/936263247.db2.gz QBZRVXJLEBMHDC-SFHVURJKSA-N 1 3 372.944 3.988 20 0 FHADHO C[C@H]([NH2+]CCCCN1CCN(c2ccccc2)CC1)c1cccnc1Cl ZINC000178698621 936263255 /nfs/dbraw/zinc/26/32/55/936263255.db2.gz QBZRVXJLEBMHDC-SFHVURJKSA-N 1 3 372.944 3.988 20 0 FHADHO CC(=O)Nc1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000080338852 938249358 /nfs/dbraw/zinc/24/93/58/938249358.db2.gz ZWQZNDNEUYLUAU-JTSKRJEESA-N 1 3 351.494 3.788 20 0 FHADHO CC(=O)Nc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000080338852 938249360 /nfs/dbraw/zinc/24/93/60/938249360.db2.gz ZWQZNDNEUYLUAU-JTSKRJEESA-N 1 3 351.494 3.788 20 0 FHADHO C/C(=C/c1ccccc1OC(F)F)CNCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000564414822 938254859 /nfs/dbraw/zinc/25/48/59/938254859.db2.gz NXZSCEMIOMZSMV-VZVUQDNOSA-N 1 3 368.468 3.782 20 0 FHADHO C/C(=C/c1ccccc1OC(F)F)CNCCC[N@H+]1CCCO[C@H](C)C1 ZINC000564414822 938254860 /nfs/dbraw/zinc/25/48/60/938254860.db2.gz NXZSCEMIOMZSMV-VZVUQDNOSA-N 1 3 368.468 3.782 20 0 FHADHO CCn1nc(C)c(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCC3)c1C ZINC000657772947 938313009 /nfs/dbraw/zinc/31/30/09/938313009.db2.gz OVNLRPXDXDJQRO-OAQYLSRUSA-N 1 3 366.553 3.912 20 0 FHADHO CCc1ccc2c(CN3CCC(C[N@H+](C)C(C)C)CC3)cc(=O)oc2c1 ZINC000728571669 938333837 /nfs/dbraw/zinc/33/38/37/938333837.db2.gz JXFLSUSYRAJGNN-UHFFFAOYSA-N 1 3 356.510 3.908 20 0 FHADHO CCc1ccc2c(CN3CCC(C[N@@H+](C)C(C)C)CC3)cc(=O)oc2c1 ZINC000728571669 938333840 /nfs/dbraw/zinc/33/38/40/938333840.db2.gz JXFLSUSYRAJGNN-UHFFFAOYSA-N 1 3 356.510 3.908 20 0 FHADHO CCc1ccc([C@@H](CO)N[C@@H](C)c2cccc(OCC[NH+](C)C)c2)cc1 ZINC000090844218 938883508 /nfs/dbraw/zinc/88/35/08/938883508.db2.gz PBSYWDRGKHNLES-HTAPYJJXSA-N 1 3 356.510 3.574 20 0 FHADHO C[C@H](NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc2ccncc2s1 ZINC000657885725 938971112 /nfs/dbraw/zinc/97/11/12/938971112.db2.gz GZXYXOFSQFQMSE-KKSFZXQISA-N 1 3 367.518 3.584 20 0 FHADHO C[C@H](NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cc2ccncc2s1 ZINC000657885725 938971113 /nfs/dbraw/zinc/97/11/13/938971113.db2.gz GZXYXOFSQFQMSE-KKSFZXQISA-N 1 3 367.518 3.584 20 0 FHADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(O[C@H](C)c2ccccc2)cc1 ZINC000657890954 938990166 /nfs/dbraw/zinc/99/01/66/938990166.db2.gz XTFSAKHTMBIIKE-RTBURBONSA-N 1 3 368.521 3.934 20 0 FHADHO c1ccc(CN2C[C@@H](C[NH2+][C@H]3CCCSCC3)C3(C2)CCOCC3)cc1 ZINC000658023063 939019170 /nfs/dbraw/zinc/01/91/70/939019170.db2.gz IWVOLJKASZFJOQ-RTWAWAEBSA-N 1 3 374.594 3.791 20 0 FHADHO CCCN1CCN(c2ccccc2C[NH2+]CC(C)(C)C(F)(F)F)CC1 ZINC000548858731 939019385 /nfs/dbraw/zinc/01/93/85/939019385.db2.gz LQBWEGXOTIEGEY-UHFFFAOYSA-N 1 3 357.464 3.897 20 0 FHADHO C[C@@H]([NH2+]C[C@@H]1CN(C)C[C@H]1c1ccccc1)c1cncc(Br)c1 ZINC000658041848 939019782 /nfs/dbraw/zinc/01/97/82/939019782.db2.gz JSOFFNJQZDTMCP-BJZITVGISA-N 1 3 374.326 3.840 20 0 FHADHO C[C@@H](N[C@@H](C)CN(C)CCC[NH+](C)C)c1nc(-c2ccccc2)cs1 ZINC000658108660 939028523 /nfs/dbraw/zinc/02/85/23/939028523.db2.gz OUSJDLYSABXJHK-DLBZAZTESA-N 1 3 360.571 3.733 20 0 FHADHO CCc1nc(C)c([C@@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)s1 ZINC000658164444 939052839 /nfs/dbraw/zinc/05/28/39/939052839.db2.gz DAJUBROWKAUHHN-OAHLLOKOSA-N 1 3 358.555 3.972 20 0 FHADHO CCO[C@H]1C[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C12CCCC2 ZINC000658168752 939055588 /nfs/dbraw/zinc/05/55/88/939055588.db2.gz YKARQAARNWPPQT-SFTDATJTSA-N 1 3 357.542 3.621 20 0 FHADHO Cc1ncncc1[C@H](C)[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000658319250 939109797 /nfs/dbraw/zinc/10/97/97/939109797.db2.gz YJTYRMXZXPDTHH-FXAWDEMLSA-N 1 3 350.510 3.738 20 0 FHADHO FC(F)(F)CSCC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000507472092 945257556 /nfs/dbraw/zinc/25/75/56/945257556.db2.gz QHTAFLSTIOHJJF-BRWVUGGUSA-N 1 3 358.473 3.782 20 0 FHADHO c1ccc(CN2CCCC[C@H](C[NH2+][C@H]3CCOC4(CCOCC4)C3)C2)cc1 ZINC000312991818 945311398 /nfs/dbraw/zinc/31/13/98/945311398.db2.gz XTDCFNMHQCUAFU-YADHBBJMSA-N 1 3 372.553 3.607 20 0 FHADHO Cc1cc2ncc([C@H](C)[NH2+]C[C@@H]3CCN(C)[C@H]3c3ccccc3)c(C)n2n1 ZINC000376162184 940392208 /nfs/dbraw/zinc/39/22/08/940392208.db2.gz LNQOYLKWIXUTIZ-BPXKWBHBSA-N 1 3 363.509 3.690 20 0 FHADHO CC(C)N1CCC([NH2+][C@H](C)C(=O)N[C@@H](C)c2cccc3ccccc32)CC1 ZINC000174295525 940718337 /nfs/dbraw/zinc/71/83/37/940718337.db2.gz REDDBTNEJZAIEF-ZWKOTPCHSA-N 1 3 367.537 3.868 20 0 FHADHO COC1CC[NH+](C2(CNc3cc(C)nc4ccccc43)CCCC2)CC1 ZINC000519355237 945343996 /nfs/dbraw/zinc/34/39/96/945343996.db2.gz OUZLFCFDZXEHNY-UHFFFAOYSA-N 1 3 353.510 3.801 20 0 FHADHO OC1(C[NH2+][C@H]2CCCc3ccc(F)cc32)CCN(Cc2ccccc2)CC1 ZINC000414303023 940921297 /nfs/dbraw/zinc/92/12/97/940921297.db2.gz LFTOMFHKXKIUAO-QFIPXVFZSA-N 1 3 368.496 3.820 20 0 FHADHO CN1CC[C@]2(C1)CCC[N@H+](Cc1ccc(OCc3ccccn3)cc1)C2 ZINC000660660588 945363359 /nfs/dbraw/zinc/36/33/59/945363359.db2.gz XCHIHZPUSQKRMN-QFIPXVFZSA-N 1 3 351.494 3.578 20 0 FHADHO CN1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(OCc3ccccn3)cc1)C2 ZINC000660660588 945363373 /nfs/dbraw/zinc/36/33/73/945363373.db2.gz XCHIHZPUSQKRMN-QFIPXVFZSA-N 1 3 351.494 3.578 20 0 FHADHO Cc1cc([C@H](C)NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)cs1 ZINC000414334235 940989392 /nfs/dbraw/zinc/98/93/92/940989392.db2.gz GJPASWWACYZPPT-INIZCTEOSA-N 1 3 371.550 3.605 20 0 FHADHO C[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423369528 941093174 /nfs/dbraw/zinc/09/31/74/941093174.db2.gz FAXLPJNDLZDRCY-WDSOQIARSA-N 1 3 364.493 3.834 20 0 FHADHO CC[NH+](CC)CCOc1ccccc1NC(=O)C[C@@H]1NCc2ccccc21 ZINC000659288313 941149819 /nfs/dbraw/zinc/14/98/19/941149819.db2.gz FPHMCFONCHZEOO-FQEVSTJZSA-N 1 3 367.493 3.580 20 0 FHADHO COc1ccc(C[NH2+]C[C@]2(C)CCN(Cc3ccccc3)C2)c(OC)c1 ZINC000311569392 941332693 /nfs/dbraw/zinc/33/26/93/941332693.db2.gz ZSSNZRGNRMMXKM-QFIPXVFZSA-N 1 3 354.494 3.706 20 0 FHADHO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)N[C@@H](C[NH3+])C1CCCC1 ZINC000415044856 941568634 /nfs/dbraw/zinc/56/86/34/941568634.db2.gz CAVHBJPPRWIEBG-WBMJQRKESA-N 1 3 357.420 3.530 20 0 FHADHO COc1cccc([C@H](NC2CCC([NH3+])CC2)c2cc(F)ccc2OC)c1 ZINC000415085792 941596292 /nfs/dbraw/zinc/59/62/92/941596292.db2.gz QXHWUCBBKZWWCU-BPZDKFOGSA-N 1 3 358.457 3.792 20 0 FHADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(Cc2c(Cl)ccc3cccnc32)CC1 ZINC000415106721 941609284 /nfs/dbraw/zinc/60/92/84/941609284.db2.gz JUCKNXQOJBWQMC-QUCCMNQESA-N 1 3 359.901 3.607 20 0 FHADHO Cc1ccccc1-c1cccc(C[N@@H+]2CCC[C@@H](n3cc(CN)nn3)C2)c1 ZINC000415127395 941615764 /nfs/dbraw/zinc/61/57/64/941615764.db2.gz MWFRBGOUJPNUSF-OAQYLSRUSA-N 1 3 361.493 3.549 20 0 FHADHO Cc1ccccc1-c1cccc(C[N@H+]2CCC[C@@H](n3cc(CN)nn3)C2)c1 ZINC000415127395 941615765 /nfs/dbraw/zinc/61/57/65/941615765.db2.gz MWFRBGOUJPNUSF-OAQYLSRUSA-N 1 3 361.493 3.549 20 0 FHADHO COc1cc(CN2CC[C@H](C)[C@@H](C[NH3+])C2)c(-c2ccccc2)cc1OC ZINC000415122816 941619056 /nfs/dbraw/zinc/61/90/56/941619056.db2.gz ISBPKYXSLJGHMX-LPHOPBHVSA-N 1 3 354.494 3.788 20 0 FHADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(Cc3ccccc3OC3CCCC3)CC2)C1 ZINC000415124638 941620495 /nfs/dbraw/zinc/62/04/95/941620495.db2.gz MVQWNPUGAPKENF-DENIHFKCSA-N 1 3 358.526 3.726 20 0 FHADHO CC[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(F)cc1 ZINC000472770651 941732375 /nfs/dbraw/zinc/73/23/75/941732375.db2.gz MKBMZRDCZRWIBJ-BVSLBCMMSA-N 1 3 356.485 3.749 20 0 FHADHO CC[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(F)cc1 ZINC000472770651 941732379 /nfs/dbraw/zinc/73/23/79/941732379.db2.gz MKBMZRDCZRWIBJ-BVSLBCMMSA-N 1 3 356.485 3.749 20 0 FHADHO C[C@H]([NH2+]C1CCN(CCC(F)(F)F)CC1)[C@H]1CCCN(C2CCC2)C1 ZINC000513408491 941902901 /nfs/dbraw/zinc/90/29/01/941902901.db2.gz NKOZPFBNPQQEQY-HOTGVXAUSA-N 1 3 361.496 3.646 20 0 FHADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(CC[C@@H]2CCc3ccccc32)CC1 ZINC000659862942 941954165 /nfs/dbraw/zinc/95/41/65/941954165.db2.gz GDSMTEWHIOGCNR-SJBKTWHCSA-N 1 3 355.570 3.597 20 0 FHADHO CC[NH2+]Cc1cccc(NC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000415906720 942135056 /nfs/dbraw/zinc/13/50/56/942135056.db2.gz LKOBCVPZQMDZGX-NRFANRHFSA-N 1 3 366.509 3.534 20 0 FHADHO CC[NH2+]Cc1ccccc1NC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000415929612 942166599 /nfs/dbraw/zinc/16/65/99/942166599.db2.gz ILBGWTYVSLHMLX-IBGZPJMESA-N 1 3 374.916 3.874 20 0 FHADHO CC[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000415945951 942179099 /nfs/dbraw/zinc/17/90/99/942179099.db2.gz SGDNNDVQFAWGQU-FXAWDEMLSA-N 1 3 366.509 3.753 20 0 FHADHO CC(C)[NH+]1CCN(CCCN2CC=C(c3ccccc3Cl)CC2)CC1 ZINC000501052885 942289569 /nfs/dbraw/zinc/28/95/69/942289569.db2.gz JOVCRILJWKICLY-UHFFFAOYSA-N 1 3 361.961 3.845 20 0 FHADHO COC1([C@H](C)NC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CCOCC1 ZINC000421402312 942533867 /nfs/dbraw/zinc/53/38/67/942533867.db2.gz MLJNCJXVVXJTFK-KRWDZBQOSA-N 1 3 354.579 3.839 20 0 FHADHO FC(F)(F)c1ccc(-c2nc(CNCC[C@H]3CC[NH2+]C3)cs2)cc1 ZINC000414839338 942550031 /nfs/dbraw/zinc/55/00/31/942550031.db2.gz WAQGQUYFJLZSIR-GFCCVEGCSA-N 1 3 355.429 3.918 20 0 FHADHO CN(CCCSCc1ccccc1)C1CC[NH+](C2CCOCC2)CC1 ZINC000378307568 942563519 /nfs/dbraw/zinc/56/35/19/942563519.db2.gz FCBUZLXHASNQAL-UHFFFAOYSA-N 1 3 362.583 3.885 20 0 FHADHO COc1ccc([C@H](C[NH3+])CN2CCC[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000420295875 942598233 /nfs/dbraw/zinc/59/82/33/942598233.db2.gz BBVZVIWWANSQGQ-UTKZUKDTSA-N 1 3 370.493 3.592 20 0 FHADHO COc1ccc([C@@H](CN)C[N@@H+]2CC[C@@H](CSc3ccccc3)C2)cc1 ZINC000420300686 942609794 /nfs/dbraw/zinc/60/97/94/942609794.db2.gz KJBSOHGPMSBLFV-MJGOQNOKSA-N 1 3 356.535 3.852 20 0 FHADHO COc1ccc([C@@H](CN)C[N@H+]2CC[C@@H](CSc3ccccc3)C2)cc1 ZINC000420300686 942609798 /nfs/dbraw/zinc/60/97/98/942609798.db2.gz KJBSOHGPMSBLFV-MJGOQNOKSA-N 1 3 356.535 3.852 20 0 FHADHO COc1ccc([C@@H](CN)C[N@@H+]2CC[C@H](CSc3ccccc3)C2)cc1 ZINC000420300426 942610375 /nfs/dbraw/zinc/61/03/75/942610375.db2.gz KJBSOHGPMSBLFV-HKUYNNGSSA-N 1 3 356.535 3.852 20 0 FHADHO COc1ccc([C@@H](CN)C[N@H+]2CC[C@H](CSc3ccccc3)C2)cc1 ZINC000420300426 942610376 /nfs/dbraw/zinc/61/03/76/942610376.db2.gz KJBSOHGPMSBLFV-HKUYNNGSSA-N 1 3 356.535 3.852 20 0 FHADHO COc1ccc([C@@H](CN)C[N@@H+]2CCC[C@H](c3nc(C)c(C)s3)C2)cc1 ZINC000420321232 942621112 /nfs/dbraw/zinc/62/11/12/942621112.db2.gz QXUUHBKVUWJTMW-ROUUACIJSA-N 1 3 359.539 3.690 20 0 FHADHO COc1ccc([C@@H](CN)C[N@H+]2CCC[C@H](c3nc(C)c(C)s3)C2)cc1 ZINC000420321232 942621133 /nfs/dbraw/zinc/62/11/33/942621133.db2.gz QXUUHBKVUWJTMW-ROUUACIJSA-N 1 3 359.539 3.690 20 0 FHADHO COc1ccc([C@@H](C[NH3+])CN2CCC[C@H](c3nc(C)c(C)s3)C2)cc1 ZINC000420321232 942621140 /nfs/dbraw/zinc/62/11/40/942621140.db2.gz QXUUHBKVUWJTMW-ROUUACIJSA-N 1 3 359.539 3.690 20 0 FHADHO CCOC(=O)c1oc2ccccc2c1CN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420343660 942625497 /nfs/dbraw/zinc/62/54/97/942625497.db2.gz ZMSALMGCFGRGBU-SFHVURJKSA-N 1 3 356.466 3.574 20 0 FHADHO CC(=O)c1c(C)cc(C)c(CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c1C ZINC000420391038 942652962 /nfs/dbraw/zinc/65/29/62/942652962.db2.gz NSJGPIAMLNXTHC-TZIWHRDSSA-N 1 3 358.526 3.533 20 0 FHADHO Cc1nc(CC[N@@H+]2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)cs1 ZINC000502867896 942815438 /nfs/dbraw/zinc/81/54/38/942815438.db2.gz GIQFVWXDSDULKW-NRFANRHFSA-N 1 3 355.551 3.982 20 0 FHADHO Cc1nc(CC[N@H+]2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)cs1 ZINC000502867896 942815443 /nfs/dbraw/zinc/81/54/43/942815443.db2.gz GIQFVWXDSDULKW-NRFANRHFSA-N 1 3 355.551 3.982 20 0 FHADHO CN(c1ccccc1CN1CC[C@]2(C)[C@H](C1)C2(F)F)C1CC[NH+](C)CC1 ZINC000430092980 942906271 /nfs/dbraw/zinc/90/62/71/942906271.db2.gz DIXLVAMWFOSYPJ-VQTJNVASSA-N 1 3 363.496 3.694 20 0 FHADHO Cc1nnc([C@H](C)NCCCCCC[NH2+][C@@H](C)c2nnc(C)s2)s1 ZINC000273559224 942984905 /nfs/dbraw/zinc/98/49/05/942984905.db2.gz DBOKSDLRJJRKGD-RYUDHWBXSA-N 1 3 368.576 3.568 20 0 FHADHO Cc1ccc(Cl)cc1NC(=O)C[C@H](C)N[C@@H](C[NH3+])C1CCCCC1 ZINC000414856183 942997804 /nfs/dbraw/zinc/99/78/04/942997804.db2.gz YLLKJRZLPOXUIF-KSSFIOAISA-N 1 3 351.922 3.863 20 0 FHADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)N[C@H](C[NH3+])C1CCCCC1 ZINC000414856962 943030665 /nfs/dbraw/zinc/03/06/65/943030665.db2.gz ZUIXSCCSMNZERH-SUMWQHHRSA-N 1 3 367.921 3.563 20 0 FHADHO Clc1cccc(Cl)c1CCNCc1cc(C2CC[NH2+]CC2)no1 ZINC000425892201 943035171 /nfs/dbraw/zinc/03/51/71/943035171.db2.gz ANBDBVKYSHBJKA-UHFFFAOYSA-N 1 3 354.281 3.781 20 0 FHADHO Cc1ccc(C(=O)Nc2cccc(CN[C@@H]3CCCC[C@H]3C[NH3+])c2)cc1 ZINC000422707108 943241191 /nfs/dbraw/zinc/24/11/91/943241191.db2.gz GRDZUMJHGBQITF-PZJWPPBQSA-N 1 3 351.494 3.854 20 0 FHADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000422706653 943241497 /nfs/dbraw/zinc/24/14/97/943241497.db2.gz FRSLSMMNSASFOQ-PXNSSMCTSA-N 1 3 355.457 3.685 20 0 FHADHO COc1ccccc1[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)N1CCCCC1 ZINC000422706846 943241521 /nfs/dbraw/zinc/24/15/21/943241521.db2.gz GEKBCOSVEMBFCM-UVUJQTEASA-N 1 3 371.569 3.733 20 0 FHADHO CCOc1ccccc1Oc1ccc(CN[C@H]2CCCC[C@H]2C[NH3+])cn1 ZINC000422690786 943245608 /nfs/dbraw/zinc/24/56/08/943245608.db2.gz GWRVWJOIEQFWKC-ROUUACIJSA-N 1 3 355.482 3.880 20 0 FHADHO CC(C)CC(=O)Nc1cccc(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)N)c1 ZINC000422724017 943259368 /nfs/dbraw/zinc/25/93/68/943259368.db2.gz UBHXOGMFEZEIFM-DYESRHJHSA-N 1 3 353.510 3.719 20 0 FHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC1(c2cccc(Br)c2)CC1 ZINC000422743440 943269026 /nfs/dbraw/zinc/26/90/26/943269026.db2.gz IRHUJOYNUOGLIG-CYBMUJFWSA-N 1 3 374.326 3.994 20 0 FHADHO CCOc1cccc([C@H](C)N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422783598 943281700 /nfs/dbraw/zinc/28/17/00/943281700.db2.gz OMBVYJRTJCLBRB-SAWYMBPVSA-N 1 3 352.478 3.992 20 0 FHADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000422785641 943282233 /nfs/dbraw/zinc/28/22/33/943282233.db2.gz NPRGGOAWZPDCJF-HTAPYJJXSA-N 1 3 371.956 3.853 20 0 FHADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000422785641 943282238 /nfs/dbraw/zinc/28/22/38/943282238.db2.gz NPRGGOAWZPDCJF-HTAPYJJXSA-N 1 3 371.956 3.853 20 0 FHADHO CCN(CC)[C@@H](CNC(=O)NCc1ccc([C@H](C)[NH3+])cc1)c1ccsc1 ZINC000417001140 943283209 /nfs/dbraw/zinc/28/32/09/943283209.db2.gz DVMFIJYICKGJSM-KXBFYZLASA-N 1 3 374.554 3.650 20 0 FHADHO C[C@H]([NH3+])C[C@H](C)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000422790173 943293265 /nfs/dbraw/zinc/29/32/65/943293265.db2.gz PFNUEBHMCDRMSB-HOTGVXAUSA-N 1 3 352.457 3.894 20 0 FHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC1(c2ccccc2Br)CC1 ZINC000422790591 943294288 /nfs/dbraw/zinc/29/42/88/943294288.db2.gz VCIHNBVKQPKWHD-CYBMUJFWSA-N 1 3 374.326 3.994 20 0 FHADHO Cc1ccc([C@H](C[NH2+][C@H](C)c2ccc(CN)nc2C)N2CCCC2)cc1 ZINC000422828586 943298341 /nfs/dbraw/zinc/29/83/41/943298341.db2.gz OIPICVJXLXQACQ-VGSWGCGISA-N 1 3 352.526 3.645 20 0 FHADHO CC(C)(C)c1ccc(C2([NH2+]C[C@H]3CCCN(C(=O)CN)C3)CCCC2)cc1 ZINC000414696835 943302738 /nfs/dbraw/zinc/30/27/38/943302738.db2.gz BMGJZDYRAHEUGI-GOSISDBHSA-N 1 3 371.569 3.540 20 0 FHADHO Fc1cccc(F)c1C1(CN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)CCCC1 ZINC000422847537 943304061 /nfs/dbraw/zinc/30/40/61/943304061.db2.gz RQURBKIPQTVVHD-ATZDWAIDSA-N 1 3 364.480 3.523 20 0 FHADHO COc1ccc(CN[C@H](C)c2ccc(C[NH3+])nc2C)c(C(F)(F)F)c1 ZINC000422877543 943314362 /nfs/dbraw/zinc/31/43/62/943314362.db2.gz IAGWJFNDUBWQDV-LLVKDONJSA-N 1 3 353.388 3.727 20 0 FHADHO COc1cccc2c1CC[C@@H]2N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422883113 943316199 /nfs/dbraw/zinc/31/61/99/943316199.db2.gz BOZMRBFBEJUWRG-IPJJNNNSSA-N 1 3 350.462 3.528 20 0 FHADHO COc1ccc(Cl)cc1C1(C[NH2+][C@@H]2CCCC[C@@H]2CN)CCOCC1 ZINC000422906252 943326638 /nfs/dbraw/zinc/32/66/38/943326638.db2.gz UVHHGDUNDQEWCZ-CRAIPNDOSA-N 1 3 366.933 3.504 20 0 FHADHO Cc1cc(C)n(-c2ccc(CN[C@@H](C)C[C@@H](C)[NH3+])c(C(F)(F)F)c2)n1 ZINC000422906624 943327293 /nfs/dbraw/zinc/32/72/93/943327293.db2.gz VPPFTAIITCXJRF-NEPJUHHUSA-N 1 3 354.420 3.723 20 0 FHADHO COc1ccc(C)cc1C1(CN[C@H]2C[C@H]([NH3+])c3ccccc32)CCOCC1 ZINC000422893539 943330762 /nfs/dbraw/zinc/33/07/62/943330762.db2.gz ADOTVVOFXDWIQI-SFTDATJTSA-N 1 3 366.505 3.786 20 0 FHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCCOc1cccc2cccnc21 ZINC000422952407 943347429 /nfs/dbraw/zinc/34/74/29/943347429.db2.gz AZKRFTAFFFWYIC-OAHLLOKOSA-N 1 3 350.466 3.517 20 0 FHADHO C[C@@H]([NH3+])C1CCN(Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000435375909 943358162 /nfs/dbraw/zinc/35/81/62/943358162.db2.gz OVBKYJSNRNQGRM-CQSZACIVSA-N 1 3 366.431 3.509 20 0 FHADHO [NH3+]CCCOC1CCN(Cc2cccc(OCc3ccc(F)cc3)c2)CC1 ZINC000435372832 943365234 /nfs/dbraw/zinc/36/52/34/943365234.db2.gz SRRCYFINWOHAFC-UHFFFAOYSA-N 1 3 372.484 3.735 20 0 FHADHO C[C@H](C[C@@H]1COCC[NH2+]1)N[C@H](C)c1ccccc1OCc1ccccc1 ZINC000423019553 943366424 /nfs/dbraw/zinc/36/64/24/943366424.db2.gz WDZAPDOIBVDDLP-QWFCFKBJSA-N 1 3 354.494 3.683 20 0 FHADHO C[C@H](NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1)[C@H]1CCCC[NH2+]1 ZINC000423022896 943369914 /nfs/dbraw/zinc/36/99/14/943369914.db2.gz IMYLTRKAPRGFRW-JECZMYCTSA-N 1 3 353.913 3.592 20 0 FHADHO C[C@H]([NH2+]C[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1)[C@H]1CCCCN1 ZINC000423022896 943369922 /nfs/dbraw/zinc/36/99/22/943369922.db2.gz IMYLTRKAPRGFRW-JECZMYCTSA-N 1 3 353.913 3.592 20 0 FHADHO COCc1ccccc1/C=C(/C)C[NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1 ZINC000511607399 943374864 /nfs/dbraw/zinc/37/48/64/943374864.db2.gz WEQYHKHLHJLTMY-ORWVVZFISA-N 1 3 372.553 3.594 20 0 FHADHO CC(C)(CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)c1cccc(Cl)c1F ZINC000423057188 943377001 /nfs/dbraw/zinc/37/70/01/943377001.db2.gz ZLKZAPZRFXBFMX-RRQGHBQHSA-N 1 3 354.897 3.503 20 0 FHADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCc1c[nH]c2cccc(Br)c12 ZINC000423119736 943396988 /nfs/dbraw/zinc/39/69/88/943396988.db2.gz DMUOYWOEMLQZBS-WFASDCNBSA-N 1 3 350.304 3.580 20 0 FHADHO NC[C@H]1CCCC[C@H]1[NH2+]CCc1c[nH]c2cccc(Br)c12 ZINC000423119734 943397224 /nfs/dbraw/zinc/39/72/24/943397224.db2.gz DMUOYWOEMLQZBS-IUODEOHRSA-N 1 3 350.304 3.580 20 0 FHADHO CC(C)Oc1ccc([C@H](CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)N(C)C)cc1 ZINC000423122570 943397946 /nfs/dbraw/zinc/39/79/46/943397946.db2.gz KAIPUXBCPBOAKT-KJJMTIBFSA-N 1 3 359.558 3.587 20 0 FHADHO CN(CCC(F)(F)F)[C@H](C[NH2+][C@@H]1CCC[C@H]1N)c1ccc(Cl)cc1 ZINC000423106759 943402599 /nfs/dbraw/zinc/40/25/99/943402599.db2.gz PDCKHEMEHSIGEP-BZUAXINKSA-N 1 3 363.855 3.735 20 0 FHADHO FC(F)O[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000503885224 943402957 /nfs/dbraw/zinc/40/29/57/943402957.db2.gz KPKDSWMFKBEERW-RHQZKXFESA-N 1 3 350.453 3.647 20 0 FHADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCc1cnc(SC2CCCC2)nc1 ZINC000423138518 943415948 /nfs/dbraw/zinc/41/59/48/943415948.db2.gz TVLRKXDNCZWZKK-JXFKEZNVSA-N 1 3 370.566 3.602 20 0 FHADHO [NH3+]CCCN[C@@H]1CCCc2nc(-c3ccccc3Br)sc21 ZINC000423181620 943429678 /nfs/dbraw/zinc/42/96/78/943429678.db2.gz GHNJFHPMVIFAQO-CYBMUJFWSA-N 1 3 366.328 3.888 20 0 FHADHO C[NH2+]C[C@H](C)CN[C@@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000423266554 943456113 /nfs/dbraw/zinc/45/61/13/943456113.db2.gz DHUPPXPNYAJWMX-QWRGUYRKSA-N 1 3 365.827 3.521 20 0 FHADHO C[C@H](CCCc1cccnc1)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000423369835 943493716 /nfs/dbraw/zinc/49/37/16/943493716.db2.gz OXLNQQPFUQCIGU-FYINFDKHSA-N 1 3 359.464 3.806 20 0 FHADHO Fc1ccc2c(c1Br)CC[C@H]2NCc1ccc2c(c1)C[NH2+]C2 ZINC000423370838 943494596 /nfs/dbraw/zinc/49/45/96/943494596.db2.gz FYDUMOILJXBUCX-QGZVFWFLSA-N 1 3 361.258 3.969 20 0 FHADHO Cc1nc(C)c([C@H](C)[NH2+][C@@H]2CNCC[C@@H]2c2ccc(F)c(F)c2)s1 ZINC000423381325 943496773 /nfs/dbraw/zinc/49/67/73/943496773.db2.gz ZHQJNPWKQSDYGC-FABXCBLPSA-N 1 3 351.466 3.834 20 0 FHADHO COc1ccc([C@H](Cc2ccncc2)NCc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000423386056 943498342 /nfs/dbraw/zinc/49/83/42/943498342.db2.gz LVXZAESFTBMAEL-QHCPKHFHSA-N 1 3 359.473 3.767 20 0 FHADHO COc1ccc([C@@H](C)[C@@H](C)[NH2+][C@@H]2CNC[C@H]2c2ccccc2)cc1OC ZINC000423532729 943539949 /nfs/dbraw/zinc/53/99/49/943539949.db2.gz RSUYMBTWJBOQFH-ACZWYYKOSA-N 1 3 354.494 3.541 20 0 FHADHO COc1ccc([C@@H](C)[C@H](C)[NH2+]CC2(N)C3CC4CC(C3)CC2C4)cc1OC ZINC000423516061 943543481 /nfs/dbraw/zinc/54/34/81/943543481.db2.gz ANPPKSMFXWTTJK-OTJAJBDVSA-N 1 3 372.553 3.939 20 0 FHADHO C[C@@H](NCC1([NH3+])CCN(Cc2ccccc2)CC1)c1cccc(F)c1F ZINC000423577908 943561471 /nfs/dbraw/zinc/56/14/71/943561471.db2.gz SZNLVYKZHWWGBQ-MRXNPFEDSA-N 1 3 359.464 3.609 20 0 FHADHO [NH3+]C1(CN[C@H]2CCc3c2c(F)ccc3F)CCN(Cc2ccccc2)CC1 ZINC000423578171 943562179 /nfs/dbraw/zinc/56/21/79/943562179.db2.gz UASKEFGGQPEWHM-FQEVSTJZSA-N 1 3 371.475 3.535 20 0 FHADHO C[C@H]([NH2+]C[C@@H]1CCCN(C(=O)C(C)(C)C)C1)[C@H]1CCCN(C2CCC2)C1 ZINC000660256700 943804878 /nfs/dbraw/zinc/80/48/78/943804878.db2.gz NRSYLGNXAWIHGL-FHWLQOOXSA-N 1 3 363.590 3.514 20 0 FHADHO C[C@@H]1CN(CCCC[NH2+][C@@H](Cc2ccncc2)c2cccs2)C[C@H](C)O1 ZINC000424306231 943852942 /nfs/dbraw/zinc/85/29/42/943852942.db2.gz USOSHOLRBXGFFT-NSHGMRRFSA-N 1 3 373.566 3.906 20 0 FHADHO CN1CCN(CC2(C)CC[NH+](C[C@@H]3CC[C@@H](c4ccccc4)C3)CC2)CC1 ZINC000660277007 943859307 /nfs/dbraw/zinc/85/93/07/943859307.db2.gz UDWGEERONFLBTK-FYYLOGMGSA-N 1 3 369.597 3.920 20 0 FHADHO COC(=O)[C@H](CCN[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccccc1 ZINC000425431993 943908410 /nfs/dbraw/zinc/90/84/10/943908410.db2.gz JKJSRQFFIZSCHT-FBBABVLZSA-N 1 3 358.526 3.576 20 0 FHADHO COC(=O)[C@H](CCN[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccccc1 ZINC000425431993 943908412 /nfs/dbraw/zinc/90/84/12/943908412.db2.gz JKJSRQFFIZSCHT-FBBABVLZSA-N 1 3 358.526 3.576 20 0 FHADHO COc1cc(CN[C@H]2CCCC[C@H]2C[NH3+])ccc1OCc1cccs1 ZINC000414814968 944121942 /nfs/dbraw/zinc/12/19/42/944121942.db2.gz ZQAKBCGYHJFVNK-WMZOPIPTSA-N 1 3 360.523 3.943 20 0 FHADHO COc1cc(C[N@@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)cc(OC)c1 ZINC000517267640 944170018 /nfs/dbraw/zinc/17/00/18/944170018.db2.gz CCGQTZOCJAFOLT-LEWJYISDSA-N 1 3 366.505 3.658 20 0 FHADHO COc1cc(C[N@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)cc(OC)c1 ZINC000517267640 944170021 /nfs/dbraw/zinc/17/00/21/944170021.db2.gz CCGQTZOCJAFOLT-LEWJYISDSA-N 1 3 366.505 3.658 20 0 FHADHO C[C@@H](C[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1)CN(C)C ZINC000425923965 944189309 /nfs/dbraw/zinc/18/93/09/944189309.db2.gz OXWJHQWQMQUHEV-KBXCAEBGSA-N 1 3 369.347 3.704 20 0 FHADHO C[C@@H](CN[C@@H](c1cccc(Br)c1)C1CCOCC1)C[NH+](C)C ZINC000425923965 944189316 /nfs/dbraw/zinc/18/93/16/944189316.db2.gz OXWJHQWQMQUHEV-KBXCAEBGSA-N 1 3 369.347 3.704 20 0 FHADHO CC1CC[NH+](C2CCC(N[C@H](c3nnc[nH]3)c3ccccc3)CC2)CC1 ZINC000278830636 944211582 /nfs/dbraw/zinc/21/15/82/944211582.db2.gz CNWZJWMZOQTNRN-MHJFOBGBSA-N 1 3 353.514 3.527 20 0 FHADHO Cc1ccccc1CN1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167975877 944374171 /nfs/dbraw/zinc/37/41/71/944374171.db2.gz YQCCMLJPOXHWCN-MBJRSGMTSA-N 1 3 353.554 3.564 20 0 FHADHO Cc1ccccc1CN1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167975877 944374179 /nfs/dbraw/zinc/37/41/79/944374179.db2.gz YQCCMLJPOXHWCN-MBJRSGMTSA-N 1 3 353.554 3.564 20 0 FHADHO COc1ccc(-c2nc3c(s2)[C@H]([NH2+]C[C@H](C)CN(C)C)CCC3)cc1 ZINC000425955004 944391811 /nfs/dbraw/zinc/39/18/11/944391811.db2.gz XWYNCCONUUFXGB-WMLDXEAASA-N 1 3 359.539 3.983 20 0 FHADHO COc1ccc(CC[C@@H](C)[NH2+]C2CCN(CC3CCCC3)CC2)cc1O ZINC000426350640 944527090 /nfs/dbraw/zinc/52/70/90/944527090.db2.gz GGSALQMBIBDMGN-QGZVFWFLSA-N 1 3 360.542 3.966 20 0 FHADHO C[C@H](NC[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1ccc(-n2cncn2)cc1 ZINC000366694503 944553521 /nfs/dbraw/zinc/55/35/21/944553521.db2.gz JTPZGUIUDIFJFY-XJABCFGWSA-N 1 3 361.493 3.611 20 0 FHADHO C[C@H](NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1)c1ccc(-n2cncn2)cc1 ZINC000366694503 944553528 /nfs/dbraw/zinc/55/35/28/944553528.db2.gz JTPZGUIUDIFJFY-XJABCFGWSA-N 1 3 361.493 3.611 20 0 FHADHO c1ccc(CN2C[C@@H](C[NH2+]C[C@@H]3CC=CCC3)C3(C2)CCOCC3)cc1 ZINC000550270241 944649155 /nfs/dbraw/zinc/64/91/55/944649155.db2.gz KJWSUSWKMLNTPU-IFMALSPDSA-N 1 3 354.538 3.861 20 0 FHADHO CC[NH+](CC)CC1CCN(Cc2ccc(OC)c(OC(F)F)c2)CC1 ZINC000506868820 944683683 /nfs/dbraw/zinc/68/36/83/944683683.db2.gz UXCJMPCZHSEDKY-UHFFFAOYSA-N 1 3 356.457 3.850 20 0 FHADHO C[C@@H](NCCC[N@H+](C)Cc1ccccc1)c1ccc(N2CCOC2=O)cc1 ZINC000162742604 944722413 /nfs/dbraw/zinc/72/24/13/944722413.db2.gz JJXYFBSGLBWNJK-GOSISDBHSA-N 1 3 367.493 3.816 20 0 FHADHO C[C@@H](NCCC[N@@H+](C)Cc1ccccc1)c1ccc(N2CCOC2=O)cc1 ZINC000162742604 944722419 /nfs/dbraw/zinc/72/24/19/944722419.db2.gz JJXYFBSGLBWNJK-GOSISDBHSA-N 1 3 367.493 3.816 20 0 FHADHO CCN(CC)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)c1ccsc1 ZINC000438572762 944789705 /nfs/dbraw/zinc/78/97/05/944789705.db2.gz GKYGZVWRVWOCHG-OALUTQOASA-N 1 3 363.571 3.654 20 0 FHADHO CCN(CC)[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)c1ccsc1 ZINC000438572762 944789713 /nfs/dbraw/zinc/78/97/13/944789713.db2.gz GKYGZVWRVWOCHG-OALUTQOASA-N 1 3 363.571 3.654 20 0 FHADHO [NH3+]C[C@@H](NC1CCN(CCC(F)(F)F)CC1)c1ccc2ccccc2c1 ZINC000414939701 944885365 /nfs/dbraw/zinc/88/53/65/944885365.db2.gz JKFLLWIASFLLJN-LJQANCHMSA-N 1 3 365.443 3.846 20 0 FHADHO CC(C)[NH+]1CCC(NC(=O)CN(Cc2ccccc2)C2CCCCC2)CC1 ZINC000511738527 944970461 /nfs/dbraw/zinc/97/04/61/944970461.db2.gz OWMSGHKEBZNBLU-UHFFFAOYSA-N 1 3 371.569 3.810 20 0 FHADHO C[C@@H](N)[C@@H](C)[NH2+][C@H](C)COc1ccc2cc(Br)ccc2c1 ZINC000415004906 944993180 /nfs/dbraw/zinc/99/31/80/944993180.db2.gz AIPZWEUJFGXVLX-JHJVBQTASA-N 1 3 351.288 3.695 20 0 FHADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@@H]2Cc3ccccc3N(C)C2)CC1 ZINC000437084527 945001564 /nfs/dbraw/zinc/00/15/64/945001564.db2.gz BJOSOXYOPHMUGI-DXIQSLLYSA-N 1 3 355.570 3.928 20 0 FHADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@@H]3CCC[C@H](N4CCCC4=O)C3)CC2)C1 ZINC000519001206 945015942 /nfs/dbraw/zinc/01/59/42/945015942.db2.gz SZLWCYYAONPDCQ-PBASOCQRSA-N 1 3 361.574 3.553 20 0 FHADHO CCO[C@@H]1CC[N@@H+](CC2(CN3CC[C@H](OCC)[C@H](C)C3)CCC2)C[C@@H]1C ZINC000660719266 945420709 /nfs/dbraw/zinc/42/07/09/945420709.db2.gz BCVKYVDWXMHYRV-UJOPUZHASA-N 1 3 366.590 3.651 20 0 FHADHO CCO[C@@H]1CCN(CC2(C[N@@H+]3CC[C@H](OCC)[C@H](C)C3)CCC2)C[C@@H]1C ZINC000660719266 945420699 /nfs/dbraw/zinc/42/06/99/945420699.db2.gz BCVKYVDWXMHYRV-UJOPUZHASA-N 1 3 366.590 3.651 20 0 FHADHO CCO[C@@H]1CCN(CC2(C[N@H+]3CC[C@H](OCC)[C@H](C)C3)CCC2)C[C@@H]1C ZINC000660719266 945420704 /nfs/dbraw/zinc/42/07/04/945420704.db2.gz BCVKYVDWXMHYRV-UJOPUZHASA-N 1 3 366.590 3.651 20 0 FHADHO CCO[C@@H]1CC[N@H+](CC2(CN3CC[C@H](OCC)[C@H](C)C3)CCC2)C[C@@H]1C ZINC000660719266 945420712 /nfs/dbraw/zinc/42/07/12/945420712.db2.gz BCVKYVDWXMHYRV-UJOPUZHASA-N 1 3 366.590 3.651 20 0 FHADHO OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CN[C@@H](c1cccnc1)C1CCC1 ZINC000280975167 945485245 /nfs/dbraw/zinc/48/52/45/945485245.db2.gz VSOGLVGYMXMPMJ-XZOQPEGZSA-N 1 3 365.521 3.669 20 0 FHADHO OC[C@@H]1CCC[N@H+]1Cc1ccccc1CN[C@@H](c1cccnc1)C1CCC1 ZINC000280975167 945485250 /nfs/dbraw/zinc/48/52/50/945485250.db2.gz VSOGLVGYMXMPMJ-XZOQPEGZSA-N 1 3 365.521 3.669 20 0 FHADHO C[N@H+](Cc1ccccc1)C1CCC(NCc2nnc3n2CCCCC3)CC1 ZINC000281122189 945523736 /nfs/dbraw/zinc/52/37/36/945523736.db2.gz XPKWXNZZEJRLAZ-UHFFFAOYSA-N 1 3 367.541 3.537 20 0 FHADHO C[N@@H+](Cc1ccccc1)C1CCC(NCc2nnc3n2CCCCC3)CC1 ZINC000281122189 945523738 /nfs/dbraw/zinc/52/37/38/945523738.db2.gz XPKWXNZZEJRLAZ-UHFFFAOYSA-N 1 3 367.541 3.537 20 0 FHADHO Cc1ccc(-c2cccc(C[N@@H+]3CCC[C@H](n4cc(CN)nn4)C3)c2)cc1 ZINC000415127430 945691115 /nfs/dbraw/zinc/69/11/15/945691115.db2.gz NAFPWQTUDPZGGT-QFIPXVFZSA-N 1 3 361.493 3.549 20 0 FHADHO Cc1ccc(-c2cccc(C[N@H+]3CCC[C@H](n4cc(CN)nn4)C3)c2)cc1 ZINC000415127430 945691122 /nfs/dbraw/zinc/69/11/22/945691122.db2.gz NAFPWQTUDPZGGT-QFIPXVFZSA-N 1 3 361.493 3.549 20 0 FHADHO C[C@@H](NC1CC[NH+](CC(C)(C)O)CC1)c1ccc(-c2cccnc2)cc1 ZINC000638728294 945699547 /nfs/dbraw/zinc/69/95/47/945699547.db2.gz MKXJPTUKTKTFTC-QGZVFWFLSA-N 1 3 353.510 3.635 20 0 FHADHO CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc(OC(C)C)c(Cl)c2)CC1 ZINC000519836139 945798525 /nfs/dbraw/zinc/79/85/25/945798525.db2.gz BYBXPMCYHCWSEH-DLBZAZTESA-N 1 3 367.965 3.804 20 0 FHADHO CCCN(CC(=O)NC1CC[NH+](C2CC2)CC1)[C@H](CC)c1ccccc1 ZINC000519906490 945870848 /nfs/dbraw/zinc/87/08/48/945870848.db2.gz FODQASJCOZKAEE-OAQYLSRUSA-N 1 3 357.542 3.593 20 0 FHADHO C[NH2+]Cc1ccccc1NC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000415913100 945901703 /nfs/dbraw/zinc/90/17/03/945901703.db2.gz OVTFLFAFNQCJHI-GOSISDBHSA-N 1 3 366.509 3.534 20 0 FHADHO CC[NH2+]Cc1ccccc1NC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000415941241 945929512 /nfs/dbraw/zinc/92/95/12/945929512.db2.gz FUXWNFYPHYVKQZ-HXUWFJFHSA-N 1 3 354.498 3.529 20 0 FHADHO C[C@@H](CNc1ccnc2cc(C(F)(F)F)ccc21)C[NH+]1CCOCC1 ZINC000301792768 945968074 /nfs/dbraw/zinc/96/80/74/945968074.db2.gz OGOPHSMVDJUPNX-ZDUSSCGKSA-N 1 3 353.388 3.634 20 0 FHADHO CC1CC[NH+](CCc2cccc(NC(=O)C3(NC4CC4)CCC3)c2)CC1 ZINC000662803368 946016618 /nfs/dbraw/zinc/01/66/18/946016618.db2.gz XEQQLLPUUZIHBL-UHFFFAOYSA-N 1 3 355.526 3.574 20 0 FHADHO CCc1c(C)[nH+]c2ccccc2c1N1CCC(N2CCO[C@H](C)C2)CC1 ZINC000301982145 946065581 /nfs/dbraw/zinc/06/55/81/946065581.db2.gz AFRZDCUPQZKNJE-MRXNPFEDSA-N 1 3 353.510 3.795 20 0 FHADHO Cc1ccc2nccc(N3CCC(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)c2c1 ZINC000302143664 946141815 /nfs/dbraw/zinc/14/18/15/946141815.db2.gz GJMODDSTPIKEDY-HDICACEKSA-N 1 3 353.510 3.869 20 0 FHADHO Cc1ccc2nccc(N3CCC(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)c2c1 ZINC000302143664 946141819 /nfs/dbraw/zinc/14/18/19/946141819.db2.gz GJMODDSTPIKEDY-HDICACEKSA-N 1 3 353.510 3.869 20 0 FHADHO CCOc1cc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)ccc1OC(F)F ZINC000514105366 946203278 /nfs/dbraw/zinc/20/32/78/946203278.db2.gz QWACQLUYMCQFBG-ARFHVFGLSA-N 1 3 354.441 3.649 20 0 FHADHO CCOc1cc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)ccc1OC(F)F ZINC000514105366 946203286 /nfs/dbraw/zinc/20/32/86/946203286.db2.gz QWACQLUYMCQFBG-ARFHVFGLSA-N 1 3 354.441 3.649 20 0 FHADHO CCOc1cc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)ccc1OC(F)F ZINC000514105366 946203295 /nfs/dbraw/zinc/20/32/95/946203295.db2.gz QWACQLUYMCQFBG-ARFHVFGLSA-N 1 3 354.441 3.649 20 0 FHADHO CCOc1cc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)ccc1OC(F)F ZINC000514105369 946203772 /nfs/dbraw/zinc/20/37/72/946203772.db2.gz QWACQLUYMCQFBG-OAGGEKHMSA-N 1 3 354.441 3.649 20 0 FHADHO CCOc1cc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)ccc1OC(F)F ZINC000514105369 946203781 /nfs/dbraw/zinc/20/37/81/946203781.db2.gz QWACQLUYMCQFBG-OAGGEKHMSA-N 1 3 354.441 3.649 20 0 FHADHO CCOc1cc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)ccc1OC(F)F ZINC000514105369 946203789 /nfs/dbraw/zinc/20/37/89/946203789.db2.gz QWACQLUYMCQFBG-OAGGEKHMSA-N 1 3 354.441 3.649 20 0 FHADHO COC(=O)C1(C)CCN(C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168055699 946300482 /nfs/dbraw/zinc/30/04/82/946300482.db2.gz XRMQMSLHJHTELW-ROUUACIJSA-N 1 3 358.526 3.703 20 0 FHADHO CCOc1cc2nccc(N3CCC[C@@H]4C[N@H+](C)CC[C@@H]43)c2cc1OCC ZINC000302752162 946310370 /nfs/dbraw/zinc/31/03/70/946310370.db2.gz UVEPHRFFUJBWCL-APWZRJJASA-N 1 3 369.509 3.953 20 0 FHADHO CCOc1cc2nccc(N3CCC[C@@H]4C[N@@H+](C)CC[C@@H]43)c2cc1OCC ZINC000302752162 946310383 /nfs/dbraw/zinc/31/03/83/946310383.db2.gz UVEPHRFFUJBWCL-APWZRJJASA-N 1 3 369.509 3.953 20 0 FHADHO O[C@@H]1CC[N@H+](Cc2ccccc2CN[C@@H]2CCSc3c(F)cccc32)C1 ZINC000248441138 946342944 /nfs/dbraw/zinc/34/29/44/946342944.db2.gz JZLGIRZKEOAMLU-YLJYHZDGSA-N 1 3 372.509 3.719 20 0 FHADHO O[C@@H]1CC[N@@H+](Cc2ccccc2CN[C@@H]2CCSc3c(F)cccc32)C1 ZINC000248441138 946342957 /nfs/dbraw/zinc/34/29/57/946342957.db2.gz JZLGIRZKEOAMLU-YLJYHZDGSA-N 1 3 372.509 3.719 20 0 FHADHO C[C@@H]1C[C@@H](N2CC[C@H](N3CCCC3)[C@@H](F)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168067324 946356422 /nfs/dbraw/zinc/35/64/22/946356422.db2.gz TYYBJOURNCFNIU-HUMDQVGNSA-N 1 3 373.560 3.936 20 0 FHADHO C[C@@H]1C[C@@H](N2CC[C@H](N3CCCC3)[C@@H](F)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168067324 946356433 /nfs/dbraw/zinc/35/64/33/946356433.db2.gz TYYBJOURNCFNIU-HUMDQVGNSA-N 1 3 373.560 3.936 20 0 FHADHO CCc1cccc(Cl)c1CN1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000475092408 946363586 /nfs/dbraw/zinc/36/35/86/946363586.db2.gz DIAZULRXINVQDR-UHFFFAOYSA-N 1 3 363.977 3.752 20 0 FHADHO CCOC(=O)NC1CCN(C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168056675 946493459 /nfs/dbraw/zinc/49/34/59/946493459.db2.gz HQWCKEHWOMFSKU-ROUUACIJSA-N 1 3 373.541 3.639 20 0 FHADHO CCc1ccc(-c2ccc(C[NH2+]CCN3CCN(C)C(C)(C)C3)o2)cc1 ZINC000441346958 946499614 /nfs/dbraw/zinc/49/96/14/946499614.db2.gz OIEJQIUPWMYYJL-UHFFFAOYSA-N 1 3 355.526 3.625 20 0 FHADHO C[C@H](OC[C@@H](O)C[N@H+](C)CC[C@H]1CCCCN1C)c1ccc(Cl)cc1 ZINC000441363685 946509652 /nfs/dbraw/zinc/50/96/52/946509652.db2.gz KBPDXUVWWCEBHP-DBVUQKKJSA-N 1 3 368.949 3.585 20 0 FHADHO C[C@H](OC[C@@H](O)C[N@@H+](C)CC[C@H]1CCCCN1C)c1ccc(Cl)cc1 ZINC000441363685 946509661 /nfs/dbraw/zinc/50/96/61/946509661.db2.gz KBPDXUVWWCEBHP-DBVUQKKJSA-N 1 3 368.949 3.585 20 0 FHADHO C[C@@H]1CN(Cc2ccc(-c3cccs3)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000444669989 947094462 /nfs/dbraw/zinc/09/44/62/947094462.db2.gz HRAPHVAVLGHTMS-WIYYLYMNSA-N 1 3 369.578 3.873 20 0 FHADHO COC1(C)CCN(CC(C[NH+]2CCC(C)(OC)CC2)c2ccccc2)CC1 ZINC000639569446 947132625 /nfs/dbraw/zinc/13/26/25/947132625.db2.gz USEYVIDFGNEEGK-UHFFFAOYSA-N 1 3 374.569 3.772 20 0 FHADHO CC(C)Oc1ccc([C@H](C)[NH2+]C2CCN([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000246505124 947243680 /nfs/dbraw/zinc/24/36/80/947243680.db2.gz SUBFLEWHLYSCID-BULFRSBZSA-N 1 3 360.542 3.892 20 0 FHADHO COc1cc2c(cc1C[NH2+]Cc1ccc(F)c(CN(C)C)c1)O[C@H](C)C2 ZINC000523732197 947553405 /nfs/dbraw/zinc/55/34/05/947553405.db2.gz VMYRVCQKQFOIKV-CQSZACIVSA-N 1 3 358.457 3.509 20 0 FHADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCSc3c(F)cccc32)C[C@@H](C)O1 ZINC000246965281 947950617 /nfs/dbraw/zinc/95/06/17/947950617.db2.gz JCHHMQVPDSAIPX-RKVPGOIHSA-N 1 3 352.519 3.842 20 0 FHADHO CC[C@@H]([NH2+]C[C@H]1CNCCC1(F)F)c1ccc(OC(F)(F)F)cc1 ZINC000925778217 948076232 /nfs/dbraw/zinc/07/62/32/948076232.db2.gz SACAILLXKLIKKA-TZMCWYRMSA-N 1 3 352.347 3.871 20 0 FHADHO CC[NH+](CC)CCC[C@@H](C)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC001167838056 948311360 /nfs/dbraw/zinc/31/13/60/948311360.db2.gz PEEHMZCAZGMZEQ-GOSISDBHSA-N 1 3 351.966 3.968 20 0 FHADHO CC[NH+]1CCC(CCNCc2ccc(OC)cc2Br)CC1 ZINC000512060936 948335598 /nfs/dbraw/zinc/33/55/98/948335598.db2.gz WKMRSZFUZPZMKK-UHFFFAOYSA-N 1 3 355.320 3.669 20 0 FHADHO CC[C@@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1cccc(Br)c1 ZINC000432410817 948355691 /nfs/dbraw/zinc/35/56/91/948355691.db2.gz RYUFDUWRSVSNPS-CRAIPNDOSA-N 1 3 369.347 3.991 20 0 FHADHO CC[C@@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1cccc(Br)c1 ZINC000432410817 948355696 /nfs/dbraw/zinc/35/56/96/948355696.db2.gz RYUFDUWRSVSNPS-CRAIPNDOSA-N 1 3 369.347 3.991 20 0 FHADHO FC(F)CN1CCC([NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)CC1 ZINC000520667046 948535137 /nfs/dbraw/zinc/53/51/37/948535137.db2.gz ZXKPPPPTGJXXMC-LJQANCHMSA-N 1 3 365.512 3.608 20 0 FHADHO COc1ccc2oc(CN3CCC(C[NH+]4C[C@@H](C)O[C@H](C)C4)CC3)cc2c1 ZINC000512176062 948656962 /nfs/dbraw/zinc/65/69/62/948656962.db2.gz AYTJPCUBYKVPIB-IAGOWNOFSA-N 1 3 372.509 3.763 20 0 FHADHO COc1cc(-c2ccccc2)ccc1CN1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000563135102 568267144 /nfs/dbraw/zinc/26/71/44/568267144.db2.gz FVEDHWDUHIIERG-OAQYLSRUSA-N 1 3 366.505 3.550 20 0 FHADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](NCCc2cnc(C4CC4)nc2)C3)cc1 ZINC000365239647 568348056 /nfs/dbraw/zinc/34/80/56/568348056.db2.gz WUUHKHUUEXFZPO-KOUNCHBCSA-N 1 3 362.521 3.682 20 0 FHADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](NCCc2cnc(C4CC4)nc2)C3)cc1 ZINC000365239647 568348057 /nfs/dbraw/zinc/34/80/57/568348057.db2.gz WUUHKHUUEXFZPO-KOUNCHBCSA-N 1 3 362.521 3.682 20 0 FHADHO [NH3+]C[C@H]1CN(Cc2ccc(Oc3cccc(F)c3)cc2)CC12CCOCC2 ZINC000583025059 936376314 /nfs/dbraw/zinc/37/63/14/936376314.db2.gz OVPJOZHHHIFQJP-SFHVURJKSA-N 1 3 370.468 3.805 20 0 FHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc4[nH]c(C)cc4c3)CC2)CC1 ZINC000583041949 936388261 /nfs/dbraw/zinc/38/82/61/936388261.db2.gz RFEPXRIYQIDITK-UHFFFAOYSA-N 1 3 368.525 3.611 20 0 FHADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)C(C)(C)c3ccccc3)CC2)CC1 ZINC000655065961 928010021 /nfs/dbraw/zinc/01/00/21/928010021.db2.gz TZJFMNGAJJQZRO-UHFFFAOYSA-N 1 3 371.569 3.576 20 0 FHADHO C[C@H](NCC1CC[NH+](Cc2ccccc2)CC1)c1cc2n(n1)CCCC2 ZINC000647284859 937325784 /nfs/dbraw/zinc/32/57/84/937325784.db2.gz NJKJNCNVTRJING-SFHVURJKSA-N 1 3 352.526 3.782 20 0 FHADHO OC1(CNCc2csc(Cl)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000397611480 929718462 /nfs/dbraw/zinc/71/84/62/929718462.db2.gz RQFHKMWVZPKGJW-UHFFFAOYSA-N 1 3 350.915 3.518 20 0 FHADHO OC1(C[NH2+]Cc2csc(Cl)c2)CCN(Cc2ccccc2)CC1 ZINC000397611480 929718472 /nfs/dbraw/zinc/71/84/72/929718472.db2.gz RQFHKMWVZPKGJW-UHFFFAOYSA-N 1 3 350.915 3.518 20 0 FHADHO COc1ccc(-c2nc(CNCC3CC[NH+](C4CC4)CC3)cs2)cc1 ZINC000683706077 929852814 /nfs/dbraw/zinc/85/28/14/929852814.db2.gz BKDDWBYXDHMPNZ-UHFFFAOYSA-N 1 3 357.523 3.783 20 0 FHADHO C[C@H]1CN(CCCC[NH2+]Cc2cscc2C(F)(F)F)C[C@H](C)O1 ZINC000583410512 937424308 /nfs/dbraw/zinc/42/43/08/937424308.db2.gz RANKRAODTAOAMG-STQMWFEESA-N 1 3 350.450 3.746 20 0 FHADHO C[C@H]1CN(CCCC[NH2+]Cc2cccc(-c3ccccn3)c2)C[C@H](C)O1 ZINC000127358635 931323711 /nfs/dbraw/zinc/32/37/11/931323711.db2.gz YNTLSXUGAGUSFH-OALUTQOASA-N 1 3 353.510 3.728 20 0 FHADHO COCCNc1ccc(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000548155304 931709644 /nfs/dbraw/zinc/70/96/44/931709644.db2.gz RRYNRDDFCYMGHF-DENIHFKCSA-N 1 3 367.537 3.745 20 0 FHADHO COCCNc1ccc(CN[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000548155304 931709647 /nfs/dbraw/zinc/70/96/47/931709647.db2.gz RRYNRDDFCYMGHF-DENIHFKCSA-N 1 3 367.537 3.745 20 0 FHADHO COCCNc1ccc(CN[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000548155304 931709650 /nfs/dbraw/zinc/70/96/50/931709650.db2.gz RRYNRDDFCYMGHF-DENIHFKCSA-N 1 3 367.537 3.745 20 0 FHADHO CC(C)[C@@](C)(C[NH3+])NCCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000430569497 931905278 /nfs/dbraw/zinc/90/52/78/931905278.db2.gz HXBNRAUIOWJGOA-OAQYLSRUSA-N 1 3 355.482 3.771 20 0 FHADHO C[C@@H]([NH3+])[C@H]1CCCN(CCC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000430574045 931915386 /nfs/dbraw/zinc/91/53/86/931915386.db2.gz SDACETHMSDYEPL-MSOLQXFVSA-N 1 3 367.493 3.867 20 0 FHADHO CC[C@@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1cccc(C)c1 ZINC000581385751 931928364 /nfs/dbraw/zinc/92/83/64/931928364.db2.gz OBJRGBRUHKLRRP-HSZRJFAPSA-N 1 3 351.538 3.983 20 0 FHADHO CC1=C[C@H](C)C[C@H](C[NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)C1 ZINC000581577118 932265727 /nfs/dbraw/zinc/26/57/27/932265727.db2.gz NTSZETYZRWBJKX-RXVVDRJESA-N 1 3 369.553 3.594 20 0 FHADHO Cc1nn(-c2cccc(F)c2)cc1CN1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656786443 932422299 /nfs/dbraw/zinc/42/22/99/932422299.db2.gz MOJCFXPBKPRHTD-SFHVURJKSA-N 1 3 356.489 3.531 20 0 FHADHO CCOc1cccc(CNCC2(SC)CC[NH+](C)CC2)c1OC(F)F ZINC000581695855 932517280 /nfs/dbraw/zinc/51/72/80/932517280.db2.gz GZPWATGJXNXROH-UHFFFAOYSA-N 1 3 374.497 3.604 20 0 FHADHO C[C@@H]1C[C@@H](NCCN2CCc3sccc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000581844104 932732012 /nfs/dbraw/zinc/73/20/12/932732012.db2.gz UURGNVIYDKLYKP-NQIIRXRSSA-N 1 3 369.578 3.749 20 0 FHADHO C[C@@H]1C[C@@H](NCCN2CCc3sccc3C2)CC[N@H+]1Cc1ccccc1 ZINC000581844104 932732017 /nfs/dbraw/zinc/73/20/17/932732017.db2.gz UURGNVIYDKLYKP-NQIIRXRSSA-N 1 3 369.578 3.749 20 0 FHADHO CCN1CCN(c2ccccc2C[NH+]2CCC(OCCC(C)C)CC2)CC1 ZINC000510506525 933168252 /nfs/dbraw/zinc/16/82/52/933168252.db2.gz RMOROGPOZZSRLY-UHFFFAOYSA-N 1 3 373.585 3.856 20 0 FHADHO CCN1CCN(CCC[NH2+][C@@H](c2cccc(C)c2)c2cccc(F)c2)CC1 ZINC000510730058 933596926 /nfs/dbraw/zinc/59/69/26/933596926.db2.gz FFOXNHIXIKUZEI-QHCPKHFHSA-N 1 3 369.528 3.841 20 0 FHADHO CC(C)(C[NH2+]C1CCC2(CC1)c1ccccc1NC2=O)CN1CCCC1 ZINC000276878357 933856316 /nfs/dbraw/zinc/85/63/16/933856316.db2.gz KREYBZZDXPOZQW-UHFFFAOYSA-N 1 3 355.526 3.531 20 0 FHADHO CCCOc1c(Cl)cc(C[N@H+](C)C[C@@H]2CCCN(C)C2)cc1OC ZINC000092253518 933964989 /nfs/dbraw/zinc/96/49/89/933964989.db2.gz YWHXJAGXJUBFEN-OAHLLOKOSA-N 1 3 354.922 3.911 20 0 FHADHO CCCOc1c(Cl)cc(C[N@@H+](C)C[C@@H]2CCCN(C)C2)cc1OC ZINC000092253518 933964996 /nfs/dbraw/zinc/96/49/96/933964996.db2.gz YWHXJAGXJUBFEN-OAHLLOKOSA-N 1 3 354.922 3.911 20 0 FHADHO CC[NH+](CC)Cc1ccc(C(=O)N(CCN(C)C)Cc2ccsc2)cc1 ZINC000458207147 934377866 /nfs/dbraw/zinc/37/78/66/934377866.db2.gz VVTQDVXGWRYRBN-UHFFFAOYSA-N 1 3 373.566 3.794 20 0 FHADHO C[NH+]1CCN(c2cccc(Cl)c2CNCc2cc3ccccc3[nH]2)CC1 ZINC000092375734 934562859 /nfs/dbraw/zinc/56/28/59/934562859.db2.gz LUMJRWYGYDJQFR-UHFFFAOYSA-N 1 3 368.912 3.863 20 0 FHADHO Clc1ccc(Br)c(CCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000090579538 934880731 /nfs/dbraw/zinc/88/07/31/934880731.db2.gz OQVMOFKPRXIFLO-LSDHHAIUSA-N 1 3 357.723 3.861 20 0 FHADHO Clc1ccc(Br)c(CCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000090579538 934880737 /nfs/dbraw/zinc/88/07/37/934880737.db2.gz OQVMOFKPRXIFLO-LSDHHAIUSA-N 1 3 357.723 3.861 20 0 FHADHO CC(C)[N@H+](C)Cc1ccccc1CNCc1ccc(O[C@@H]2CCOC2)cc1 ZINC000657308429 935076191 /nfs/dbraw/zinc/07/61/91/935076191.db2.gz SEZWWVHXWAWAEL-HSZRJFAPSA-N 1 3 368.521 3.984 20 0 FHADHO CC(C)[N@@H+](C)Cc1ccccc1CNCc1ccc(O[C@@H]2CCOC2)cc1 ZINC000657308429 935076197 /nfs/dbraw/zinc/07/61/97/935076197.db2.gz SEZWWVHXWAWAEL-HSZRJFAPSA-N 1 3 368.521 3.984 20 0 FHADHO OC1CC[NH+](Cc2ccccc2CNCc2cc3ccncc3s2)CC1 ZINC000657388509 935506325 /nfs/dbraw/zinc/50/63/25/935506325.db2.gz CTOKRNGKBNAAJJ-UHFFFAOYSA-N 1 3 367.518 3.543 20 0 FHADHO OC1CCN(Cc2ccccc2C[NH2+]Cc2cc3ccncc3s2)CC1 ZINC000657388509 935506327 /nfs/dbraw/zinc/50/63/27/935506327.db2.gz CTOKRNGKBNAAJJ-UHFFFAOYSA-N 1 3 367.518 3.543 20 0 FHADHO c1ccc2c(c1)CCSC[C@H]2NC1CC[NH+](CCc2ccncc2)CC1 ZINC000152880108 935876304 /nfs/dbraw/zinc/87/63/04/935876304.db2.gz YSCFCROZXGDOBO-JOCHJYFZSA-N 1 3 367.562 3.709 20 0 FHADHO O[C@H](c1ccc(Cl)cc1)C1CC[NH+](CCCN2CCCCC2)CC1 ZINC000161354123 935917796 /nfs/dbraw/zinc/91/77/96/935917796.db2.gz LVTBZFPUGSHZNC-HXUWFJFHSA-N 1 3 350.934 3.961 20 0 FHADHO C[NH2+]CC1CCN(Cc2cc(-c3c(OC)ccc4ccccc43)no2)CC1 ZINC000582666504 935924862 /nfs/dbraw/zinc/92/48/62/935924862.db2.gz VBCASDQUIIYTHM-UHFFFAOYSA-N 1 3 365.477 3.935 20 0 FHADHO CCCOc1ccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1 ZINC000657613328 936093412 /nfs/dbraw/zinc/09/34/12/936093412.db2.gz YOMKBKZWGBAMMR-UHFFFAOYSA-N 1 3 353.510 3.872 20 0 FHADHO Fc1ccc(/C=C/C[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1F ZINC000657612664 936098808 /nfs/dbraw/zinc/09/88/08/936098808.db2.gz CGAWELQPSFKDCL-OWOJBTEDSA-N 1 3 357.448 3.875 20 0 FHADHO C[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2)[C@@H]1CC1(C)C ZINC000582799735 936139424 /nfs/dbraw/zinc/13/94/24/936139424.db2.gz YBQREPYKSPBGHZ-JBACZVJFSA-N 1 3 356.554 3.939 20 0 FHADHO CC[NH+](CC)CCCN[C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000120344443 936214400 /nfs/dbraw/zinc/21/44/00/936214400.db2.gz ACYPTVLIBFLCOX-AWEZNQCLSA-N 1 3 359.436 3.744 20 0 FHADHO CC(=O)Nc1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000080338848 938249317 /nfs/dbraw/zinc/24/93/17/938249317.db2.gz ZWQZNDNEUYLUAU-VGSWGCGISA-N 1 3 351.494 3.788 20 0 FHADHO CC(=O)Nc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000080338848 938249318 /nfs/dbraw/zinc/24/93/18/938249318.db2.gz ZWQZNDNEUYLUAU-VGSWGCGISA-N 1 3 351.494 3.788 20 0 FHADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(Cc3ccc(OC(F)F)c(Cl)c3)C2)C1 ZINC000650707176 938289023 /nfs/dbraw/zinc/28/90/23/938289023.db2.gz ZZQWVGHWNVABSF-CPUCHLNUSA-N 1 3 374.859 3.660 20 0 FHADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2Cc2cnc(-c3ccccc3)s2)C1 ZINC000650723395 938310727 /nfs/dbraw/zinc/31/07/27/938310727.db2.gz NHVMIVMVIIALSK-NEWSRXKRSA-N 1 3 357.523 3.671 20 0 FHADHO Cc1cc2oc(=O)cc(CN3CCC(C[N@@H+](C)C(C)C)CC3)c2cc1C ZINC000728572281 938327556 /nfs/dbraw/zinc/32/75/56/938327556.db2.gz WOIWOGDIUXQOQS-UHFFFAOYSA-N 1 3 356.510 3.962 20 0 FHADHO Cc1cc2oc(=O)cc(CN3CCC(C[N@H+](C)C(C)C)CC3)c2cc1C ZINC000728572281 938327558 /nfs/dbraw/zinc/32/75/58/938327558.db2.gz WOIWOGDIUXQOQS-UHFFFAOYSA-N 1 3 356.510 3.962 20 0 FHADHO CCCN1CC[C@H](C[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)C1 ZINC000151141408 938411125 /nfs/dbraw/zinc/41/11/25/938411125.db2.gz RBYWUWSMQCVKDU-MRXNPFEDSA-N 1 3 367.940 3.765 20 0 FHADHO C[C@H](c1ccccc1)[C@@H](O)C[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000516714359 945177367 /nfs/dbraw/zinc/17/73/67/945177367.db2.gz LEDVSNXYRZMCOT-VNHKHXMHSA-N 1 3 352.522 3.651 20 0 FHADHO c1cn(Cc2cccc(CNC3CC[NH+](CCc4ccccc4)CC3)c2)cn1 ZINC000151321357 938527504 /nfs/dbraw/zinc/52/75/04/938527504.db2.gz ZICNIPZFBNZNCL-UHFFFAOYSA-N 1 3 374.532 3.728 20 0 FHADHO CCN1CCN(Cc2ccccc2C[NH2+][C@H](C)C(C)(C)C(F)F)CC1 ZINC000657839344 938690866 /nfs/dbraw/zinc/69/08/66/938690866.db2.gz SJRWYQDJGZNFIY-MRXNPFEDSA-N 1 3 353.501 3.594 20 0 FHADHO CCN1CCN(Cc2ccc(C[NH2+][C@H](C)C(C)(C)C(F)F)cc2)CC1 ZINC000657839279 938691671 /nfs/dbraw/zinc/69/16/71/938691671.db2.gz QWQQLOHJLXUXKP-MRXNPFEDSA-N 1 3 353.501 3.594 20 0 FHADHO Cc1ccc(OC[C@@H](O)CNC2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc1 ZINC000584346559 938694353 /nfs/dbraw/zinc/69/43/53/938694353.db2.gz PYPKIZGSIATXOM-UGKGYDQZSA-N 1 3 368.521 3.550 20 0 FHADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000708530082 938802610 /nfs/dbraw/zinc/80/26/10/938802610.db2.gz WLWOEVXNYJJASM-GIVPXCGWSA-N 1 3 350.506 3.910 20 0 FHADHO CCN1CCN(CCC[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CC2)CC1 ZINC000091285059 938899249 /nfs/dbraw/zinc/89/92/49/938899249.db2.gz VIMPVFFJNLUPJT-LJQANCHMSA-N 1 3 369.475 3.774 20 0 FHADHO Cc1ccccc1CNCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000076399933 938996403 /nfs/dbraw/zinc/99/64/03/938996403.db2.gz KYBCWMDVEXTYNY-UHFFFAOYSA-N 1 3 368.521 3.774 20 0 FHADHO Cc1ccccc1CNCc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000076399933 938996404 /nfs/dbraw/zinc/99/64/04/938996404.db2.gz KYBCWMDVEXTYNY-UHFFFAOYSA-N 1 3 368.521 3.774 20 0 FHADHO C[C@H](NCC1CC[NH+](C2CCOCC2)CC1)c1nc2c(s1)CCCC2 ZINC000658068690 939021712 /nfs/dbraw/zinc/02/17/12/939021712.db2.gz YEZBKJFLBQVVPB-HNNXBMFYSA-N 1 3 363.571 3.564 20 0 FHADHO COc1cccc2c1CC[C@@H]2[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658166243 939054110 /nfs/dbraw/zinc/05/41/10/939054110.db2.gz NFSFOCIVJHVTFW-NRFANRHFSA-N 1 3 351.494 3.579 20 0 FHADHO COC[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccc(Cl)cc1 ZINC000658167220 939054925 /nfs/dbraw/zinc/05/49/25/939054925.db2.gz QSVWNZNDLITMOX-OAQYLSRUSA-N 1 3 373.928 3.924 20 0 FHADHO C[C@H](c1ccccc1)[C@H](O)CNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000658337910 939115711 /nfs/dbraw/zinc/11/57/11/939115711.db2.gz AUKQLFZDPNVWHZ-DCLXLUIPSA-N 1 3 366.549 3.836 20 0 FHADHO CCCC[N@H+](C)CC1CCN([C@@H](C)C(=O)N2CCCC[C@H]2CC)CC1 ZINC000519225166 945232092 /nfs/dbraw/zinc/23/20/92/945232092.db2.gz WULDRDIGNRKCMV-AZUAARDMSA-N 1 3 351.579 3.610 20 0 FHADHO CCCC[N@@H+](C)CC1CCN([C@@H](C)C(=O)N2CCCC[C@H]2CC)CC1 ZINC000519225166 945232095 /nfs/dbraw/zinc/23/20/95/945232095.db2.gz WULDRDIGNRKCMV-AZUAARDMSA-N 1 3 351.579 3.610 20 0 FHADHO COc1cc2c(cc1CNCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)O[C@@H](C)C2 ZINC000518267610 945271566 /nfs/dbraw/zinc/27/15/66/945271566.db2.gz NILCKVYUUOQGQS-KURKYZTESA-N 1 3 360.542 3.866 20 0 FHADHO CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@H]2c2cccn2C)CC1 ZINC000506040041 945281224 /nfs/dbraw/zinc/28/12/24/945281224.db2.gz HDKMRIXNZVQUEU-QFIPXVFZSA-N 1 3 352.526 3.504 20 0 FHADHO CCN1CCN(c2ccccc2C[N@H+]2CCC[C@H]2c2cccn2C)CC1 ZINC000506040041 945281229 /nfs/dbraw/zinc/28/12/29/945281229.db2.gz HDKMRIXNZVQUEU-QFIPXVFZSA-N 1 3 352.526 3.504 20 0 FHADHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)Nc2ccc(Cl)cc2F)C[C@@H]1C ZINC000531139992 940098845 /nfs/dbraw/zinc/09/88/45/940098845.db2.gz PUVXGRAJERBCFD-ZFWWWQNUSA-N 1 3 355.885 3.612 20 0 FHADHO CC[N@H+]1CC[C@H](N(C)CCC(=O)Nc2ccc(Cl)cc2F)C[C@@H]1C ZINC000531139992 940098848 /nfs/dbraw/zinc/09/88/48/940098848.db2.gz PUVXGRAJERBCFD-ZFWWWQNUSA-N 1 3 355.885 3.612 20 0 FHADHO c1nc2c(s1)CN(CCCCCC[N@@H+]1CCc3ncsc3C1)CC2 ZINC000782634268 940238469 /nfs/dbraw/zinc/23/84/69/940238469.db2.gz NJXPOWZJSSNMHQ-UHFFFAOYSA-N 1 3 362.568 3.576 20 0 FHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(C[S@](C)=O)cc1 ZINC000376114721 940331041 /nfs/dbraw/zinc/33/10/41/940331041.db2.gz MMTWYQSIBNSFNW-WTSFKKHRSA-N 1 3 370.562 3.565 20 0 FHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(C[S@](C)=O)cc1 ZINC000376114721 940331045 /nfs/dbraw/zinc/33/10/45/940331045.db2.gz MMTWYQSIBNSFNW-WTSFKKHRSA-N 1 3 370.562 3.565 20 0 FHADHO COc1cc(C)c(C[N@@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)c(C)n1 ZINC000685850908 940467324 /nfs/dbraw/zinc/46/73/24/940467324.db2.gz MAAMEDKUERKJIW-SFTDATJTSA-N 1 3 365.521 3.661 20 0 FHADHO COc1cc(C)c(C[N@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)c(C)n1 ZINC000685850908 940467325 /nfs/dbraw/zinc/46/73/25/940467325.db2.gz MAAMEDKUERKJIW-SFTDATJTSA-N 1 3 365.521 3.661 20 0 FHADHO CCN1CCN(CCC[NH2+][C@@H]2CCC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000414070068 940476564 /nfs/dbraw/zinc/47/65/64/940476564.db2.gz RZHBXJSWDRDZED-TZIWHRDSSA-N 1 3 363.977 3.983 20 0 FHADHO CO[C@H]1c2ccccc2C[C@H]1N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000414221435 940792104 /nfs/dbraw/zinc/79/21/04/940792104.db2.gz KWWXSFIBFFHUSS-ZECSIRQKSA-N 1 3 350.506 3.799 20 0 FHADHO CO[C@H]1c2ccccc2C[C@H]1N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000414221435 940792105 /nfs/dbraw/zinc/79/21/05/940792105.db2.gz KWWXSFIBFFHUSS-ZECSIRQKSA-N 1 3 350.506 3.799 20 0 FHADHO C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000414311458 940942743 /nfs/dbraw/zinc/94/27/43/940942743.db2.gz VARSNTAQIITCBA-VGOFRKELSA-N 1 3 368.496 3.676 20 0 FHADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCc1c[nH]c2ccc(Br)cc12 ZINC000423029873 940949690 /nfs/dbraw/zinc/94/96/90/940949690.db2.gz IWKAOOVWHUWCJQ-LRDDRELGSA-N 1 3 350.304 3.580 20 0 FHADHO CCN1CCN(CCC[NH2+][C@H]2CCc3cc(Cl)cc(Cl)c32)CC1 ZINC000134315844 941012145 /nfs/dbraw/zinc/01/21/45/941012145.db2.gz WCORLAVOSSRVGB-KRWDZBQOSA-N 1 3 356.341 3.598 20 0 FHADHO CCN1CCN([C@@H](C)C[NH2+][C@@H]2CCc3cc(Cl)cc(Cl)c32)CC1 ZINC000134317453 941012519 /nfs/dbraw/zinc/01/25/19/941012519.db2.gz PXYBWSYADSCHMQ-SUMWQHHRSA-N 1 3 356.341 3.596 20 0 FHADHO CC[C@H](NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)c1ccsc1 ZINC000414349232 941019677 /nfs/dbraw/zinc/01/96/77/941019677.db2.gz YDLMAGZOPILQEY-FQEVSTJZSA-N 1 3 371.550 3.686 20 0 FHADHO COc1ccc(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(Cl)c1OC ZINC000647542862 941062486 /nfs/dbraw/zinc/06/24/86/941062486.db2.gz CZTGPTCLJSUXOJ-GJZGRUSLSA-N 1 3 352.906 3.569 20 0 FHADHO Cc1cc(C[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)ccc1C(F)(F)F ZINC000414380826 941073281 /nfs/dbraw/zinc/07/32/81/941073281.db2.gz OXBKQZMRKWGCEU-OALUTQOASA-N 1 3 370.459 3.871 20 0 FHADHO C[C@@H]1C[C@@H](NC(=O)c2cccc(CN(C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000177479516 941128397 /nfs/dbraw/zinc/12/83/97/941128397.db2.gz RQZGGHQPXBOLEY-GCJKJVERSA-N 1 3 365.521 3.531 20 0 FHADHO C[C@@H]1C[C@@H](NC(=O)c2cccc(CN(C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000177479516 941128399 /nfs/dbraw/zinc/12/83/99/941128399.db2.gz RQZGGHQPXBOLEY-GCJKJVERSA-N 1 3 365.521 3.531 20 0 FHADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C[C@@H]2NCc3ccccc32)CC1 ZINC000659286952 941147458 /nfs/dbraw/zinc/14/74/58/941147458.db2.gz UBHILLCREKCJID-VGSWGCGISA-N 1 3 363.505 3.563 20 0 FHADHO C[C@@H](Cc1ccc(Br)cc1F)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624121111 941265324 /nfs/dbraw/zinc/26/53/24/941265324.db2.gz OGBNGTOXCREPPR-UONOGXRCSA-N 1 3 357.311 3.841 20 0 FHADHO [NH3+]C[C@H]1CC[C@H](NCc2csc(COc3ccc(Cl)cc3)n2)C1 ZINC000415042588 941562718 /nfs/dbraw/zinc/56/27/18/941562718.db2.gz RCNQLPUQGZKVRI-JSGCOSHPSA-N 1 3 351.903 3.593 20 0 FHADHO COc1cc(CN[C@H](CCC[NH3+])c2ccccc2)c(SC)cc1OC ZINC000415061950 941580236 /nfs/dbraw/zinc/58/02/36/941580236.db2.gz ZHGYTRXCAQBUGJ-QGZVFWFLSA-N 1 3 360.523 3.996 20 0 FHADHO COc1ccc([C@H](CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)N2CCCCC2)cc1 ZINC000415077981 941587891 /nfs/dbraw/zinc/58/78/91/941587891.db2.gz GASSIEXSQAVXSD-ACESQOTJSA-N 1 3 371.569 3.733 20 0 FHADHO CC(C)C[C@H](N)C[NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000415096268 941599606 /nfs/dbraw/zinc/59/96/06/941599606.db2.gz AUHQDNHRQKJABZ-KRWDZBQOSA-N 1 3 357.464 3.633 20 0 FHADHO CC(C)C[C@H]([NH3+])CNC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000415096268 941599608 /nfs/dbraw/zinc/59/96/08/941599608.db2.gz AUHQDNHRQKJABZ-KRWDZBQOSA-N 1 3 357.464 3.633 20 0 FHADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(CCCc2c(F)cccc2Cl)CC1 ZINC000415104010 941606110 /nfs/dbraw/zinc/60/61/10/941606110.db2.gz GHFSHXJATAXNBL-MOPGFXCFSA-N 1 3 354.897 3.630 20 0 FHADHO [NH3+][C@H]1CCO[C@H](C2CCN(Cc3c(Cl)ccc4cccnc43)CC2)C1 ZINC000415127783 941622610 /nfs/dbraw/zinc/62/26/10/941622610.db2.gz RGMUOVYZUKFZCD-LPHOPBHVSA-N 1 3 359.901 3.607 20 0 FHADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(Cc3c(Cl)ccc4cccnc43)CC2)C1 ZINC000415127785 941622712 /nfs/dbraw/zinc/62/27/12/941622712.db2.gz RGMUOVYZUKFZCD-VQIMIIECSA-N 1 3 359.901 3.607 20 0 FHADHO [NH3+]C1(CNCc2ccc(Cl)cc2F)CCN(Cc2ccccc2)CC1 ZINC000415135752 941625917 /nfs/dbraw/zinc/62/59/17/941625917.db2.gz QLFHAZLCEAJRDH-UHFFFAOYSA-N 1 3 361.892 3.562 20 0 FHADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNCCC(=O)Nc1cccnc1 ZINC000644522412 941821397 /nfs/dbraw/zinc/82/13/97/941821397.db2.gz UZHYTCXNXSWEPY-SFHVURJKSA-N 1 3 366.509 3.574 20 0 FHADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNCCC(=O)Nc1cccnc1 ZINC000644522412 941821399 /nfs/dbraw/zinc/82/13/99/941821399.db2.gz UZHYTCXNXSWEPY-SFHVURJKSA-N 1 3 366.509 3.574 20 0 FHADHO C[C@@H]1CN(CC2CC[NH+](C[C@@H]3CCC4(CCCCC4)O3)CC2)C[C@H](C)O1 ZINC000467194839 941898594 /nfs/dbraw/zinc/89/85/94/941898594.db2.gz DNGFAORTFVQYCZ-ZVDOUQERSA-N 1 3 364.574 3.690 20 0 FHADHO Cc1cn2c(CN(C)C3CCN(c4cc[nH+]cc4)CC3)c(C)nc2s1 ZINC000377692532 941906011 /nfs/dbraw/zinc/90/60/11/941906011.db2.gz JEHUJEYHXXPIIO-UHFFFAOYSA-N 1 3 355.511 3.508 20 0 FHADHO C[C@@H]1C[C@H]([NH2+]C[C@H](c2ccccc2)N(C)C)CCN1Cc1ccccc1 ZINC000513462628 941941200 /nfs/dbraw/zinc/94/12/00/941941200.db2.gz FVJMQKWQFQCPSP-UEVCKROQSA-N 1 3 351.538 3.932 20 0 FHADHO CC[NH+](CC)Cc1cccc(CN[C@H]2CCCN(CC(C)(C)C)C2=O)c1 ZINC000460662450 941943003 /nfs/dbraw/zinc/94/30/03/941943003.db2.gz GLNFEMDWRDZZIA-FQEVSTJZSA-N 1 3 359.558 3.655 20 0 FHADHO COc1cc(CN(C)C2CC[NH+](CCc3ccncc3)CC2)ccc1C ZINC000377864298 942040396 /nfs/dbraw/zinc/04/03/96/942040396.db2.gz LYOJMECHJFJLEJ-UHFFFAOYSA-N 1 3 353.510 3.538 20 0 FHADHO CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)cc1 ZINC000513627714 942053180 /nfs/dbraw/zinc/05/31/80/942053180.db2.gz XSTLQRDLPAVILM-FGZHOGPDSA-N 1 3 365.521 3.704 20 0 FHADHO CC[NH2+]Cc1ccccc1NC(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C ZINC000415941014 942172001 /nfs/dbraw/zinc/17/20/01/942172001.db2.gz FZZNMDRZLAQRDO-NRFANRHFSA-N 1 3 368.525 3.783 20 0 FHADHO C[NH2+]Cc1ccc(NC(=O)NC[C@H](c2ccc(SC)cc2)N(C)C)cc1 ZINC000415986639 942228818 /nfs/dbraw/zinc/22/88/18/942228818.db2.gz VCXYHUQCGHPFLW-LJQANCHMSA-N 1 3 372.538 3.552 20 0 FHADHO CCN1CCC([N@@H+]2CCCN(CCCc3ccccc3Cl)CC2)CC1 ZINC000420984116 942281428 /nfs/dbraw/zinc/28/14/28/942281428.db2.gz SJPREFSMRMHWFC-UHFFFAOYSA-N 1 3 363.977 3.765 20 0 FHADHO CCN1CCC([N@H+]2CCCN(CCCc3ccccc3Cl)CC2)CC1 ZINC000420984116 942281429 /nfs/dbraw/zinc/28/14/29/942281429.db2.gz SJPREFSMRMHWFC-UHFFFAOYSA-N 1 3 363.977 3.765 20 0 FHADHO CCN1CCC([N@@H+]2CCCN([C@H]3CCc4c3cccc4Cl)CC2)CC1 ZINC000420974394 942286453 /nfs/dbraw/zinc/28/64/53/942286453.db2.gz DNPBSXJIBDKIHN-NRFANRHFSA-N 1 3 361.961 3.819 20 0 FHADHO CCN1CCC([N@H+]2CCCN([C@H]3CCc4c3cccc4Cl)CC2)CC1 ZINC000420974394 942286458 /nfs/dbraw/zinc/28/64/58/942286458.db2.gz DNPBSXJIBDKIHN-NRFANRHFSA-N 1 3 361.961 3.819 20 0 FHADHO CCC[N@H+](CCCN1CCN(C(C)C)CC1)[C@@H](C)c1ccccc1OC ZINC000501105695 942309664 /nfs/dbraw/zinc/30/96/64/942309664.db2.gz LACCXMGRWLFBFR-FQEVSTJZSA-N 1 3 361.574 3.884 20 0 FHADHO CCC[N@@H+](CCCN1CCN(C(C)C)CC1)[C@@H](C)c1ccccc1OC ZINC000501105695 942309670 /nfs/dbraw/zinc/30/96/70/942309670.db2.gz LACCXMGRWLFBFR-FQEVSTJZSA-N 1 3 361.574 3.884 20 0 FHADHO C[N@@H+]1CCCC[C@H]1CN1CCN(C[C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000659908429 942395729 /nfs/dbraw/zinc/39/57/29/942395729.db2.gz FKOVVMZFWNYNRX-MZYLBHOOSA-N 1 3 355.570 3.672 20 0 FHADHO C[N@H+]1CCCC[C@H]1CN1CCN(C[C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000659908429 942395732 /nfs/dbraw/zinc/39/57/32/942395732.db2.gz FKOVVMZFWNYNRX-MZYLBHOOSA-N 1 3 355.570 3.672 20 0 FHADHO C/C(=C\c1ccccc1C(F)(F)F)C[NH2+]C[C@@H](O)CN1CCC(C)CC1 ZINC000501475622 942501652 /nfs/dbraw/zinc/50/16/52/942501652.db2.gz JVAADTFUPRKBJB-QIPHDZALSA-N 1 3 370.459 3.791 20 0 FHADHO CCN1CCC([N@@H+]2CCCN(C[C@H](C)c3cc(F)cc(F)c3)CC2)CC1 ZINC000421375482 942526821 /nfs/dbraw/zinc/52/68/21/942526821.db2.gz PFEDCKLGGATDOK-KRWDZBQOSA-N 1 3 365.512 3.560 20 0 FHADHO CCN1CCC([N@H+]2CCCN(C[C@H](C)c3cc(F)cc(F)c3)CC2)CC1 ZINC000421375482 942526828 /nfs/dbraw/zinc/52/68/28/942526828.db2.gz PFEDCKLGGATDOK-KRWDZBQOSA-N 1 3 365.512 3.560 20 0 FHADHO COC1([C@@H](C)NC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CCOCC1 ZINC000421402313 942533410 /nfs/dbraw/zinc/53/34/10/942533410.db2.gz MLJNCJXVVXJTFK-QGZVFWFLSA-N 1 3 354.579 3.839 20 0 FHADHO COc1ccc([C@@H](C[NH3+])CN2CCC[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000420295878 942599039 /nfs/dbraw/zinc/59/90/39/942599039.db2.gz BBVZVIWWANSQGQ-UWJYYQICSA-N 1 3 370.493 3.592 20 0 FHADHO [NH3+]CC1CCN(Cc2c(-c3ccc(Cl)cc3)nc3sccn23)CC1 ZINC000420280693 942602301 /nfs/dbraw/zinc/60/23/01/942602301.db2.gz ZDLBNWPVUNHNFK-UHFFFAOYSA-N 1 3 360.914 3.887 20 0 FHADHO Cc1cc(-c2noc([C@H](C)N3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)n2)ccc1F ZINC000420320348 942621021 /nfs/dbraw/zinc/62/10/21/942621021.db2.gz BIZLDAOENQGXQP-USXIJHARSA-N 1 3 358.461 3.567 20 0 FHADHO O=C(Nc1ccccc1)[C@H](c1ccccc1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420333576 942632007 /nfs/dbraw/zinc/63/20/07/942632007.db2.gz FIZHYHPRDRTATJ-URVUXULASA-N 1 3 363.505 3.688 20 0 FHADHO C[C@H](c1ccccc1Br)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000420388527 942650664 /nfs/dbraw/zinc/65/06/64/942650664.db2.gz LDGAXBHEJGZLRH-DDUZABMNSA-N 1 3 367.331 3.728 20 0 FHADHO O=C(CCN1CCCC[C@H]1[C@H]1CC[NH2+]C1)Nc1cc(Cl)ccc1Cl ZINC000420409526 942665121 /nfs/dbraw/zinc/66/51/21/942665121.db2.gz XESHWCGJWBTYSZ-GUYCJALGSA-N 1 3 370.324 3.786 20 0 FHADHO COc1ccc([C@@H](C)NCc2ccc(OCC[NH+](C)C)cc2)c(C)c1OC ZINC000514105579 942749056 /nfs/dbraw/zinc/74/90/56/942749056.db2.gz SGAUAABASSMFCN-QGZVFWFLSA-N 1 3 372.509 3.803 20 0 FHADHO COc1cc(C[N@@H+]2CC[C@@]3(CCN(C)C3)C2)c(-c2ccccc2)cc1OC ZINC000430120251 942916452 /nfs/dbraw/zinc/91/64/52/942916452.db2.gz BBNSVWKXJMOSDP-HSZRJFAPSA-N 1 3 366.505 3.898 20 0 FHADHO COc1cc(C[N@H+]2CC[C@@]3(CCN(C)C3)C2)c(-c2ccccc2)cc1OC ZINC000430120251 942916455 /nfs/dbraw/zinc/91/64/55/942916455.db2.gz BBNSVWKXJMOSDP-HSZRJFAPSA-N 1 3 366.505 3.898 20 0 FHADHO C[C@H](NCCC(=O)N1CCCc2ccccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000503198458 943048680 /nfs/dbraw/zinc/04/86/80/943048680.db2.gz LEYLRTXWSOERAO-AZUAARDMSA-N 1 3 369.553 3.599 20 0 FHADHO C[C@H](NCCC(=O)N1CCCc2ccccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000503198458 943048688 /nfs/dbraw/zinc/04/86/88/943048688.db2.gz LEYLRTXWSOERAO-AZUAARDMSA-N 1 3 369.553 3.599 20 0 FHADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(NC(=O)C2CCCC2)c1 ZINC000422706302 943241263 /nfs/dbraw/zinc/24/12/63/943241263.db2.gz DVCNVFGHVMSHEO-HTAPYJJXSA-N 1 3 365.521 3.863 20 0 FHADHO COc1ccccc1[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)N1CCCCC1 ZINC000422706845 943241399 /nfs/dbraw/zinc/24/13/99/943241399.db2.gz GEKBCOSVEMBFCM-PDGJWGCVSA-N 1 3 371.569 3.733 20 0 FHADHO Fc1ccc(Br)cc1CCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422706256 943241420 /nfs/dbraw/zinc/24/14/20/943241420.db2.gz UBXBSCDXLPDLIH-DJIMGWMZSA-N 1 3 355.295 3.641 20 0 FHADHO NC[C@@H]1CCC[C@H]1[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000422734750 943251427 /nfs/dbraw/zinc/25/14/27/943251427.db2.gz TXNNTEPMGWNATK-KBXCAEBGSA-N 1 3 356.341 3.675 20 0 FHADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1cccc(NC(=O)c2cccc(F)c2)c1 ZINC000422714788 943254029 /nfs/dbraw/zinc/25/40/29/943254029.db2.gz RNFBHBTZNJFATA-XLIONFOSSA-N 1 3 355.457 3.685 20 0 FHADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCc1ccc(Br)s1 ZINC000422723109 943259204 /nfs/dbraw/zinc/25/92/04/943259204.db2.gz ZPFLOUMVEGVQDJ-WFASDCNBSA-N 1 3 353.329 3.601 20 0 FHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H](C)Cc1cccc(Br)c1 ZINC000422758766 943263278 /nfs/dbraw/zinc/26/32/78/943263278.db2.gz JWRCVEJOWONGLK-OLZOCXBDSA-N 1 3 362.315 3.893 20 0 FHADHO CCN(CC)[C@@H](C[NH2+][C@@H](C)c1ccc(CN)nc1C)c1cccc(OC)c1 ZINC000422800035 943288128 /nfs/dbraw/zinc/28/81/28/943288128.db2.gz ZEYFOIYGEPVSOY-AOMKIAJQSA-N 1 3 370.541 3.591 20 0 FHADHO CN(C)c1cc(CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c2ccccc2n1 ZINC000422802863 943289477 /nfs/dbraw/zinc/28/94/77/943289477.db2.gz FELUGOJTGHRKDR-SLFFLAALSA-N 1 3 352.526 3.701 20 0 FHADHO CCOCc1ccc(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422835266 943299914 /nfs/dbraw/zinc/29/99/14/943299914.db2.gz PDJLSBVRUULHBM-IFMALSPDSA-N 1 3 352.478 3.569 20 0 FHADHO N[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000422841644 943311459 /nfs/dbraw/zinc/31/14/59/943311459.db2.gz DJWRQLJXZSMHRC-UXHICEINSA-N 1 3 355.457 3.828 20 0 FHADHO C[C@@H](NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1)c1cnccc1N ZINC000422880446 943315196 /nfs/dbraw/zinc/31/51/96/943315196.db2.gz LWVMFCVGOJSVRW-KZNAEPCWSA-N 1 3 352.526 3.823 20 0 FHADHO COc1cccc2c1CC[C@@H]2N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422883112 943316469 /nfs/dbraw/zinc/31/64/69/943316469.db2.gz BOZMRBFBEJUWRG-CNNODRBYSA-N 1 3 350.462 3.528 20 0 FHADHO CCOc1ccc(C2(CN[C@H]3C[C@H]([NH3+])c4ccccc43)CCOCC2)cc1 ZINC000422883723 943317101 /nfs/dbraw/zinc/31/71/01/943317101.db2.gz VKUPPWLIDREZTA-VXKWHMMOSA-N 1 3 366.505 3.868 20 0 FHADHO COc1cc2[nH]c(CCCN[C@H]3C[C@H]([NH3+])c4ccccc43)cc2c(OC)c1 ZINC000422870276 943320971 /nfs/dbraw/zinc/32/09/71/943320971.db2.gz XNGOOOBRPAVJOU-PMACEKPBSA-N 1 3 365.477 3.852 20 0 FHADHO Cc1cc(C)n(-c2ccc(CN[C@@H](C)C[C@H](C)[NH3+])c(C(F)(F)F)c2)n1 ZINC000422906626 943327094 /nfs/dbraw/zinc/32/70/94/943327094.db2.gz VPPFTAIITCXJRF-RYUDHWBXSA-N 1 3 354.420 3.723 20 0 FHADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC000422894383 943331445 /nfs/dbraw/zinc/33/14/45/943331445.db2.gz TVJJXKCQICGWAR-XLIONFOSSA-N 1 3 355.457 3.685 20 0 FHADHO CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)N)c1 ZINC000422942463 943340379 /nfs/dbraw/zinc/34/03/79/943340379.db2.gz KIOGJQHUCWVBSN-FIKGOQFSSA-N 1 3 353.510 3.719 20 0 FHADHO CCC(CC)(CNC(=O)N1CCN(C)CC[C@@H]1C)[NH2+][C@@H](C)c1ccccc1 ZINC000503701856 943344930 /nfs/dbraw/zinc/34/49/30/943344930.db2.gz NJFPMILIVITJDW-OALUTQOASA-N 1 3 374.573 3.632 20 0 FHADHO Cc1cc(CN[C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])ccc1Oc1ccc(F)cc1 ZINC000422952913 943348126 /nfs/dbraw/zinc/34/81/26/943348126.db2.gz CPXYVHDBXZGGLA-CDHQVMDDSA-N 1 3 358.457 3.768 20 0 FHADHO Cc1cc(C[C@H](C)[NH2+][C@@H](C)c2ccc(CN)nc2C)n(-c2ccccc2)n1 ZINC000423002021 943361421 /nfs/dbraw/zinc/36/14/21/943361421.db2.gz YCYQJGZDSNSAST-RDJZCZTQSA-N 1 3 363.509 3.625 20 0 FHADHO C[C@H](NC[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1)[C@H]1CCCC[NH2+]1 ZINC000423022900 943369215 /nfs/dbraw/zinc/36/92/15/943369215.db2.gz IMYLTRKAPRGFRW-LZBRWLDZSA-N 1 3 353.913 3.592 20 0 FHADHO C[C@H]([NH2+]C[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1)[C@H]1CCCCN1 ZINC000423022900 943369222 /nfs/dbraw/zinc/36/92/22/943369222.db2.gz IMYLTRKAPRGFRW-LZBRWLDZSA-N 1 3 353.913 3.592 20 0 FHADHO COCc1ccccc1/C=C(/C)C[NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1 ZINC000511607396 943374765 /nfs/dbraw/zinc/37/47/65/943374765.db2.gz WEQYHKHLHJLTMY-AZGBFLDPSA-N 1 3 372.553 3.594 20 0 FHADHO Fc1ccc(N2CC[C@H](N[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1Cl ZINC000423040652 943375212 /nfs/dbraw/zinc/37/52/12/943375212.db2.gz HSHYQOUXJWDNGN-KNEBKQPDSA-N 1 3 351.897 3.568 20 0 FHADHO FC(F)(F)c1ccccc1N1CC[C@H](N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000423057812 943377771 /nfs/dbraw/zinc/37/77/71/943377771.db2.gz AWLALGXKMZSAMO-CIRFHOKZSA-N 1 3 367.459 3.794 20 0 FHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCc1cn(C)c2cc(Cl)ccc12 ZINC000423062369 943378196 /nfs/dbraw/zinc/37/81/96/943378196.db2.gz MUTUFJPAGNDJKW-CYBMUJFWSA-N 1 3 356.901 3.887 20 0 FHADHO Fc1ccc(C2(CN[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)CCCC2)c(F)c1 ZINC000423062578 943378721 /nfs/dbraw/zinc/37/87/21/943378721.db2.gz NFGYHJVFLSMUAJ-FFZOFVMBSA-N 1 3 364.480 3.523 20 0 FHADHO C[C@H]([NH3+])C[C@H](C)N[C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000423071055 943381949 /nfs/dbraw/zinc/38/19/49/943381949.db2.gz NXHRXIJYJYUARY-SUNYJGFJSA-N 1 3 362.315 3.843 20 0 FHADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCC1(c2c(Cl)cccc2Cl)CCC1 ZINC000423084192 943388350 /nfs/dbraw/zinc/38/83/50/943388350.db2.gz HPDAYGAOGHEUNE-WOSRLPQWSA-N 1 3 357.325 3.757 20 0 FHADHO C[C@H](C[C@H](C)[NH3+])NC[C@H](c1ccc(Cl)cc1)N(C)CCC(F)(F)F ZINC000423097093 943392829 /nfs/dbraw/zinc/39/28/29/943392829.db2.gz AHHDHWPBNWAFLK-WOSRLPQWSA-N 1 3 365.871 3.981 20 0 FHADHO C[N@H+](Cc1ccccc1NC(=O)N1CCNC(C)(C)C1)C1CCCCC1 ZINC000414717679 943398090 /nfs/dbraw/zinc/39/80/90/943398090.db2.gz USKZNPTWMUIUHE-UHFFFAOYSA-N 1 3 358.530 3.667 20 0 FHADHO C[N@@H+](Cc1ccccc1NC(=O)N1CCNC(C)(C)C1)C1CCCCC1 ZINC000414717679 943398097 /nfs/dbraw/zinc/39/80/97/943398097.db2.gz USKZNPTWMUIUHE-UHFFFAOYSA-N 1 3 358.530 3.667 20 0 FHADHO C[C@H](N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)[C@H]1OCCc2sccc21 ZINC000423125062 943398607 /nfs/dbraw/zinc/39/86/07/943398607.db2.gz HHEBHYNCYLSWDH-VBYRIGCOSA-N 1 3 370.518 3.596 20 0 FHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H](C)Cc1cn(C)c2ccc(F)cc12 ZINC000423177373 943428049 /nfs/dbraw/zinc/42/80/49/943428049.db2.gz HJBVHMJWIREAHV-ZIAGYGMSSA-N 1 3 354.473 3.761 20 0 FHADHO C[C@@H](NCCC[NH2+]Cc1cccnc1)c1cccc(OC(F)(F)F)c1 ZINC000423188230 943435268 /nfs/dbraw/zinc/43/52/68/943435268.db2.gz NHEUWTMMPWVXIY-CQSZACIVSA-N 1 3 353.388 3.811 20 0 FHADHO Brc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC[C@H]1CCC[NH2+]C1 ZINC000423220053 943448467 /nfs/dbraw/zinc/44/84/67/943448467.db2.gz XVEHUGCOCDDUDY-SJCJKPOMSA-N 1 3 362.315 3.897 20 0 FHADHO C[NH2+]C[C@@H](C)CN[C@@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000423266553 943456018 /nfs/dbraw/zinc/45/60/18/943456018.db2.gz DHUPPXPNYAJWMX-MNOVXSKESA-N 1 3 365.827 3.521 20 0 FHADHO Cn1nccc1[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)C1 ZINC000423482503 943520898 /nfs/dbraw/zinc/52/08/98/943520898.db2.gz XWOXEMUZJOJLGV-YXYSEUPNSA-N 1 3 370.516 3.568 20 0 FHADHO CO[C@@H](c1ccccc1)[C@H](C)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423465319 943523374 /nfs/dbraw/zinc/52/33/74/943523374.db2.gz HRJYGTMBLXGIHW-NTSGDEEZSA-N 1 3 356.485 3.885 20 0 FHADHO Fc1ccc([C@@H]2CCNC[C@@H]2C[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC000423471472 943525045 /nfs/dbraw/zinc/52/50/45/943525045.db2.gz MCXYUSKGBJOSHQ-NJKFVAIMSA-N 1 3 360.517 3.704 20 0 FHADHO N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000424329903 943847351 /nfs/dbraw/zinc/84/73/51/943847351.db2.gz HFSRFAGLENNCGW-BRWVUGGUSA-N 1 3 370.324 3.516 20 0 FHADHO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(C[C@@H]1CCCO1)C(F)(F)F ZINC000651445512 943851058 /nfs/dbraw/zinc/85/10/58/943851058.db2.gz YIYURYXWWFKRAS-LSDHHAIUSA-N 1 3 358.404 3.743 20 0 FHADHO C[C@@H]1CC2(CN1Cc1csc(-c3ccc4c(c3)OCO4)n1)CC[NH2+]CC2 ZINC000424380604 943888878 /nfs/dbraw/zinc/88/88/78/943888878.db2.gz QBEFCGLJYMKYFO-CQSZACIVSA-N 1 3 371.506 3.503 20 0 FHADHO Brc1cccc(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167962173 943963355 /nfs/dbraw/zinc/96/33/55/943963355.db2.gz UWZGWRYDTANOTP-YQQQUEKLSA-N 1 3 363.343 3.987 20 0 FHADHO Brc1cccc(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167962173 943963360 /nfs/dbraw/zinc/96/33/60/943963360.db2.gz UWZGWRYDTANOTP-YQQQUEKLSA-N 1 3 363.343 3.987 20 0 FHADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@@](C)(CCc3ccccc3)C2)CC1 ZINC000500095601 944088358 /nfs/dbraw/zinc/08/83/58/944088358.db2.gz GKYQDJRFZDRJRE-HSZRJFAPSA-N 1 3 357.586 3.747 20 0 FHADHO CC(C)N1CCN(CCC[N@H+]2CC[C@@](C)(CCc3ccccc3)C2)CC1 ZINC000500095601 944088365 /nfs/dbraw/zinc/08/83/65/944088365.db2.gz GKYQDJRFZDRJRE-HSZRJFAPSA-N 1 3 357.586 3.747 20 0 FHADHO CCCN1CCN(c2ccccc2CNc2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000414815757 944126998 /nfs/dbraw/zinc/12/69/98/944126998.db2.gz UZEREFWRVVYYOQ-GOSISDBHSA-N 1 3 352.526 3.850 20 0 FHADHO CC(C)N1CCN(CCC[N@H+](C2CC2)[C@H]2CCCc3ccccc32)CC1 ZINC000500140611 944161857 /nfs/dbraw/zinc/16/18/57/944161857.db2.gz QYIFAEJACVHAFC-QHCPKHFHSA-N 1 3 355.570 3.945 20 0 FHADHO CC(C)N1CCN(CCC[N@@H+](C2CC2)[C@H]2CCCc3ccccc32)CC1 ZINC000500140611 944161860 /nfs/dbraw/zinc/16/18/60/944161860.db2.gz QYIFAEJACVHAFC-QHCPKHFHSA-N 1 3 355.570 3.945 20 0 FHADHO C[C@@H]([NH2+]C[C@H](C)CN(C)C)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000425951332 944362249 /nfs/dbraw/zinc/36/22/49/944362249.db2.gz MMFVNYMAGLXDJZ-ZWKOTPCHSA-N 1 3 366.509 3.762 20 0 FHADHO CC(C)[N@H+](C)C[C@H](O)CN[C@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000660373304 944362854 /nfs/dbraw/zinc/36/28/54/944362854.db2.gz OVCMUWGIIKODHY-HFTRVMKXSA-N 1 3 358.448 3.632 20 0 FHADHO CC(C)[N@@H+](C)C[C@H](O)CN[C@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000660373304 944362861 /nfs/dbraw/zinc/36/28/61/944362861.db2.gz OVCMUWGIIKODHY-HFTRVMKXSA-N 1 3 358.448 3.632 20 0 FHADHO COc1cc2c(c(C[NH2+]CCCN(C)Cc3ccccc3)c1)O[C@@H](C)C2 ZINC000517541128 944371606 /nfs/dbraw/zinc/37/16/06/944371606.db2.gz SZOYYBWLEWCGKA-KRWDZBQOSA-N 1 3 354.494 3.630 20 0 FHADHO COc1ccc(-c2nc3c(s2)[C@@H]([NH2+]C[C@H](C)CN(C)C)CCC3)cc1 ZINC000425955005 944391987 /nfs/dbraw/zinc/39/19/87/944391987.db2.gz XWYNCCONUUFXGB-YOEHRIQHSA-N 1 3 359.539 3.983 20 0 FHADHO CC(C)c1nnc(CCN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000426301101 944412780 /nfs/dbraw/zinc/41/27/80/944412780.db2.gz LLSRIXJEMMBNNH-SJLPKXTDSA-N 1 3 358.555 3.704 20 0 FHADHO CC(C)c1nnc(CCN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000426301101 944412785 /nfs/dbraw/zinc/41/27/85/944412785.db2.gz LLSRIXJEMMBNNH-SJLPKXTDSA-N 1 3 358.555 3.704 20 0 FHADHO C/C(=C\c1ccccc1OC(F)F)CN1CCC(OCC[NH+](C)C)CC1 ZINC000518629543 944544473 /nfs/dbraw/zinc/54/44/73/944544473.db2.gz KUABYZSKZZQLBE-JQIJEIRASA-N 1 3 368.468 3.734 20 0 FHADHO COc1cc(C[NH2+][C@H](C)CN)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000414930520 944613086 /nfs/dbraw/zinc/61/30/86/944613086.db2.gz PJADEURWXNJLPN-CYBMUJFWSA-N 1 3 368.399 3.730 20 0 FHADHO Cc1nc2ccc(CN3CCC(OCC[NH+]4CCCC4)CC3)cc2s1 ZINC000426410363 944719611 /nfs/dbraw/zinc/71/96/11/944719611.db2.gz LSJRHAYTXMUEHX-UHFFFAOYSA-N 1 3 359.539 3.682 20 0 FHADHO CCCC[N@H+](C)CC1CCN(Cc2cnc(N(CC)CC)s2)CC1 ZINC000506934433 944775467 /nfs/dbraw/zinc/77/54/67/944775467.db2.gz ZWURSQDDHHXOTK-UHFFFAOYSA-N 1 3 352.592 3.933 20 0 FHADHO CCCC[N@@H+](C)CC1CCN(Cc2cnc(N(CC)CC)s2)CC1 ZINC000506934433 944775469 /nfs/dbraw/zinc/77/54/69/944775469.db2.gz ZWURSQDDHHXOTK-UHFFFAOYSA-N 1 3 352.592 3.933 20 0 FHADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)Cc3ccc4c[nH]nc4c3)C2)s1 ZINC000660496384 945041557 /nfs/dbraw/zinc/04/15/57/945041557.db2.gz GXFLMYNNCYLCBR-QGZVFWFLSA-N 1 3 354.523 3.887 20 0 FHADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)Cc3ccc4c[nH]nc4c3)C2)s1 ZINC000660496384 945041563 /nfs/dbraw/zinc/04/15/63/945041563.db2.gz GXFLMYNNCYLCBR-QGZVFWFLSA-N 1 3 354.523 3.887 20 0 FHADHO COc1cncc(/C=C\CC[NH+]2CCC(NCc3ccccc3)CC2)c1 ZINC000660680630 945381124 /nfs/dbraw/zinc/38/11/24/945381124.db2.gz UZVSTRCVGFWUBK-UITAMQMPSA-N 1 3 351.494 3.748 20 0 FHADHO OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CN[C@H](c1cccnc1)C1CCC1 ZINC000280975164 945485166 /nfs/dbraw/zinc/48/51/66/945485166.db2.gz VSOGLVGYMXMPMJ-GOTSBHOMSA-N 1 3 365.521 3.669 20 0 FHADHO OC[C@@H]1CCC[N@H+]1Cc1ccccc1CN[C@H](c1cccnc1)C1CCC1 ZINC000280975164 945485168 /nfs/dbraw/zinc/48/51/68/945485168.db2.gz VSOGLVGYMXMPMJ-GOTSBHOMSA-N 1 3 365.521 3.669 20 0 FHADHO CCN1CCN([C@H](C)C[NH2+]Cc2ccc(Oc3cccc(F)c3)cc2)CC1 ZINC000443978282 945618631 /nfs/dbraw/zinc/61/86/31/945618631.db2.gz LGAIQSUQKJJERH-GOSISDBHSA-N 1 3 371.500 3.734 20 0 FHADHO C[C@@H](CC(=O)Nc1cccc(Cl)c1)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000120023798 945788099 /nfs/dbraw/zinc/78/80/99/945788099.db2.gz SLJRQDKNTZRHPB-ZDUSSCGKSA-N 1 3 351.922 3.956 20 0 FHADHO C[C@H](CC[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1)OCc1ccccc1 ZINC000475056676 946016418 /nfs/dbraw/zinc/01/64/18/946016418.db2.gz LKISGFVMYJJRIA-NJYVYQBISA-N 1 3 374.569 3.803 20 0 FHADHO CN(Cc1ccccc1)CC(C)(C)C[NH2+]Cc1cccc(N2CCC2=O)c1 ZINC000441239989 946330681 /nfs/dbraw/zinc/33/06/81/946330681.db2.gz WVSPSBJSLBGKHM-UHFFFAOYSA-N 1 3 365.521 3.671 20 0 FHADHO CN(C)[C@H](CNC(=O)C[NH2+][C@H](c1ccccc1)C1CCC1)c1ccccc1 ZINC000475128978 946434434 /nfs/dbraw/zinc/43/44/34/946434434.db2.gz ICYGABYOTLUUKJ-FYYLOGMGSA-N 1 3 365.521 3.537 20 0 FHADHO CN(C)[C@H](CNC(=O)C[NH2+][C@@H](c1ccccc1)C1CCC1)c1ccccc1 ZINC000475128979 946434726 /nfs/dbraw/zinc/43/47/26/946434726.db2.gz ICYGABYOTLUUKJ-GGAORHGYSA-N 1 3 365.521 3.537 20 0 FHADHO C[C@H]1CCC[C@@](CNC(=O)c2cccc(CN3CCCC3)c2)([NH+](C)C)C1 ZINC000520368263 946467582 /nfs/dbraw/zinc/46/75/82/946467582.db2.gz AEXOWNIUQIEFAC-PGRDOPGGSA-N 1 3 357.542 3.523 20 0 FHADHO Fc1ccc(-c2cc(C[N@@H+]3CC[C@H]4[C@H](CCCN4C4CC4)C3)on2)cc1 ZINC000441394363 946548707 /nfs/dbraw/zinc/54/87/07/946548707.db2.gz OPCCBLMJGDHMQE-IERDGZPVSA-N 1 3 355.457 3.929 20 0 FHADHO Fc1ccc(-c2cc(C[N@H+]3CC[C@H]4[C@H](CCCN4C4CC4)C3)on2)cc1 ZINC000441394363 946548712 /nfs/dbraw/zinc/54/87/12/946548712.db2.gz OPCCBLMJGDHMQE-IERDGZPVSA-N 1 3 355.457 3.929 20 0 FHADHO Cc1ccc2[nH]c(CN3CCC(OCC[NH+]4CCCC4)CC3)cc2c1C ZINC000473143438 946585213 /nfs/dbraw/zinc/58/52/13/946585213.db2.gz YBZJOEPFOKFWID-UHFFFAOYSA-N 1 3 355.526 3.862 20 0 FHADHO C[C@@H]1C[C@@H](N2CCc3ccc(=O)[nH]c3CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168058136 946592466 /nfs/dbraw/zinc/59/24/66/946592466.db2.gz BDDFJRJLZMBBMU-RMFSNUHRSA-N 1 3 365.521 3.629 20 0 FHADHO C[C@@H]1C[C@@H](N2CCc3ccc(=O)[nH]c3CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168058136 946592470 /nfs/dbraw/zinc/59/24/70/946592470.db2.gz BDDFJRJLZMBBMU-RMFSNUHRSA-N 1 3 365.521 3.629 20 0 FHADHO CCN1CCN(c2ccccc2C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)CC1 ZINC000475284932 946823150 /nfs/dbraw/zinc/82/31/50/946823150.db2.gz KTMSXHYHCJRXAK-RDJZCZTQSA-N 1 3 355.448 3.601 20 0 FHADHO CCN1CCN(c2ccccc2C[N@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)CC1 ZINC000475284932 946823156 /nfs/dbraw/zinc/82/31/56/946823156.db2.gz KTMSXHYHCJRXAK-RDJZCZTQSA-N 1 3 355.448 3.601 20 0 FHADHO CCN1CCN(c2ccccc2C[NH2+]Cc2ccc3ncccc3c2)CC1 ZINC000475328262 946888986 /nfs/dbraw/zinc/88/89/86/946888986.db2.gz HKIDCIZWBCSGKA-UHFFFAOYSA-N 1 3 360.505 3.667 20 0 FHADHO CSc1ccc(CN2CCC(COCC[NH+]3CCCC3)CC2)s1 ZINC001142018733 947054411 /nfs/dbraw/zinc/05/44/11/947054411.db2.gz QSWOQNJWPVRALR-UHFFFAOYSA-N 1 3 354.585 3.794 20 0 FHADHO C[C@@H]1C[C@@H](N2CC[C@H](Oc3ccncc3)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168065677 947181728 /nfs/dbraw/zinc/18/17/28/947181728.db2.gz XLCIHCBXVNBMTD-QRICJDHISA-N 1 3 365.521 3.976 20 0 FHADHO C[C@@H]1C[C@@H](N2CC[C@H](Oc3ccncc3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168065677 947181733 /nfs/dbraw/zinc/18/17/33/947181733.db2.gz XLCIHCBXVNBMTD-QRICJDHISA-N 1 3 365.521 3.976 20 0 FHADHO C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000520451872 947505056 /nfs/dbraw/zinc/50/50/56/947505056.db2.gz ALWHVJICXIHSRB-COXVUDFISA-N 1 3 371.447 3.885 20 0 FHADHO C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000520451872 947505060 /nfs/dbraw/zinc/50/50/60/947505060.db2.gz ALWHVJICXIHSRB-COXVUDFISA-N 1 3 371.447 3.885 20 0 FHADHO COc1cc2c(cc1C[NH2+]Cc1ccc(F)c(CN(C)C)c1)O[C@@H](C)C2 ZINC000523732196 947552969 /nfs/dbraw/zinc/55/29/69/947552969.db2.gz VMYRVCQKQFOIKV-AWEZNQCLSA-N 1 3 358.457 3.509 20 0 FHADHO Cc1ccccc1-c1noc([C@@H](C)N2CCC[C@@H](C3CC[NH2+]CC3)C2)n1 ZINC000662295223 947716088 /nfs/dbraw/zinc/71/60/88/947716088.db2.gz GCMOZBQEYRORSF-SJLPKXTDSA-N 1 3 354.498 3.818 20 0 FHADHO Fc1ccc(-c2nc(CN3CCC[C@H](C4CC[NH2+]CC4)C3)co2)cc1F ZINC000662295226 947716804 /nfs/dbraw/zinc/71/68/04/947716804.db2.gz UKJCKSCBHYKVSW-INIZCTEOSA-N 1 3 361.436 3.831 20 0 FHADHO c1ccc(-n2nc(CN3CCC[C@H](C4CC[NH2+]CC4)C3)c3c2CCC3)cc1 ZINC000662295963 947720959 /nfs/dbraw/zinc/72/09/59/947720959.db2.gz JLDDWKBFRXYLNC-IBGZPJMESA-N 1 3 364.537 3.573 20 0 FHADHO COc1ccc(-c2nc(CN3CCC[C@H](C4CC[NH2+]CC4)C3)co2)cc1 ZINC000662299067 947721183 /nfs/dbraw/zinc/72/11/83/947721183.db2.gz ZKAGBSJAWQTJBT-SFHVURJKSA-N 1 3 355.482 3.562 20 0 FHADHO C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000579376301 947758536 /nfs/dbraw/zinc/75/85/36/947758536.db2.gz LZJBELWHDJFKRB-QKYXUNIQSA-N 1 3 369.484 3.927 20 0 FHADHO CC1CCN([C@@H](CNC(=O)c2cccc3c2C[NH2+]C3)c2cccs2)CC1 ZINC000662347285 947758655 /nfs/dbraw/zinc/75/86/55/947758655.db2.gz ZNCNMRUUXTXOOL-IBGZPJMESA-N 1 3 369.534 3.554 20 0 FHADHO CC[NH+](CC)CCC[C@H](C)N1CCn2c(CN(C)C(C)C)cnc2[C@H]1C ZINC001167825128 948119295 /nfs/dbraw/zinc/11/92/95/948119295.db2.gz REEUMSFYJNSTEP-RBUKOAKNSA-N 1 3 363.594 3.610 20 0 FHADHO C[C@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1cccc(-c2ccncc2)c1 ZINC000432410922 948357349 /nfs/dbraw/zinc/35/73/49/948357349.db2.gz SYEGPEIYXLVLEH-MOPGFXCFSA-N 1 3 353.510 3.900 20 0 FHADHO C[C@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1cccc(-c2ccncc2)c1 ZINC000432410922 948357358 /nfs/dbraw/zinc/35/73/58/948357358.db2.gz SYEGPEIYXLVLEH-MOPGFXCFSA-N 1 3 353.510 3.900 20 0 FHADHO COc1ccc2c(c1)[C@@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)CCCS2 ZINC000432419202 948374031 /nfs/dbraw/zinc/37/40/31/948374031.db2.gz ZWEPRAYLXHUVBH-LPHOPBHVSA-N 1 3 364.555 3.713 20 0 FHADHO COc1ccc2c(c1)[C@@H](NCCC[N@H+]1CCCO[C@@H](C)C1)CCCS2 ZINC000432419202 948374038 /nfs/dbraw/zinc/37/40/38/948374038.db2.gz ZWEPRAYLXHUVBH-LPHOPBHVSA-N 1 3 364.555 3.713 20 0 FHADHO C[C@H]1C[N@H+](CCCN[C@@H]2CCc3cc(Br)ccc32)CCCO1 ZINC000432422052 948384633 /nfs/dbraw/zinc/38/46/33/948384633.db2.gz CFXFAZBMILDJQA-KBXCAEBGSA-N 1 3 367.331 3.527 20 0 FHADHO C[C@H]1C[N@@H+](CCCN[C@@H]2CCc3cc(Br)ccc32)CCCO1 ZINC000432422052 948384640 /nfs/dbraw/zinc/38/46/40/948384640.db2.gz CFXFAZBMILDJQA-KBXCAEBGSA-N 1 3 367.331 3.527 20 0 FHADHO CC[C@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(OC(F)F)cc1 ZINC000432427534 948397615 /nfs/dbraw/zinc/39/76/15/948397615.db2.gz ZFTFBEWMFWJGEF-QAPCUYQASA-N 1 3 356.457 3.830 20 0 FHADHO CC[C@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1ccc(OC(F)F)cc1 ZINC000432427534 948397623 /nfs/dbraw/zinc/39/76/23/948397623.db2.gz ZFTFBEWMFWJGEF-QAPCUYQASA-N 1 3 356.457 3.830 20 0 FHADHO C[C@@H]1C[N@H+](CCCN[C@H]2CCc3ccc(OC(F)(F)F)cc32)CCCO1 ZINC000432441094 948433957 /nfs/dbraw/zinc/43/39/57/948433957.db2.gz JONUQWJOUWUXER-KDOFPFPSSA-N 1 3 372.431 3.663 20 0 FHADHO C[C@@H]1C[N@@H+](CCCN[C@H]2CCc3ccc(OC(F)(F)F)cc32)CCCO1 ZINC000432441094 948433961 /nfs/dbraw/zinc/43/39/61/948433961.db2.gz JONUQWJOUWUXER-KDOFPFPSSA-N 1 3 372.431 3.663 20 0 FHADHO C[C@@H]1CN(CCCC[NH2+]Cc2cnc(-c3ccsc3)s2)C[C@@H](C)O1 ZINC000531479146 948724533 /nfs/dbraw/zinc/72/45/33/948724533.db2.gz MZYMLAVSIAXUMH-HUUCEWRRSA-N 1 3 365.568 3.851 20 0 FHADHO COCc1ccc(CN2CCC[C@@H]([N@H+](C)Cc3ccccn3)CC2)cc1 ZINC000275707787 522974366 /nfs/dbraw/zinc/97/43/66/522974366.db2.gz NPTULYVORQHDLN-JOCHJYFZSA-N 1 3 353.510 3.715 20 0 FHADHO COCc1ccc(CN2CCC[C@@H]([N@@H+](C)Cc3ccccn3)CC2)cc1 ZINC000275707787 522974372 /nfs/dbraw/zinc/97/43/72/522974372.db2.gz NPTULYVORQHDLN-JOCHJYFZSA-N 1 3 353.510 3.715 20 0 FHADHO CC(C)(C(=O)NCc1cccc(C[NH+]2CCCC2)c1)[C@H](N)c1ccccc1 ZINC000563093040 568113897 /nfs/dbraw/zinc/11/38/97/568113897.db2.gz XKPKECWGMOWYBN-OAQYLSRUSA-N 1 3 365.521 3.625 20 0 FHADHO CN(C)CCOc1ccc(C[NH2+]CCc2c[nH]c3ccc(F)cc23)cc1 ZINC000604890892 568381791 /nfs/dbraw/zinc/38/17/91/568381791.db2.gz IUWHEAZHDONNMH-UHFFFAOYSA-N 1 3 355.457 3.580 20 0 FHADHO Cc1cc(C)nc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164836999 720660486 /nfs/dbraw/zinc/66/04/86/720660486.db2.gz APSVLZZNDFSXTJ-OAQYLSRUSA-N 1 3 365.521 3.958 20 0 FHADHO Cc1cc(C)nc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164836999 720660492 /nfs/dbraw/zinc/66/04/92/720660492.db2.gz APSVLZZNDFSXTJ-OAQYLSRUSA-N 1 3 365.521 3.958 20 0 FHADHO Cc1nc2ccccn2c1C[N@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000579696213 927111348 /nfs/dbraw/zinc/11/13/48/927111348.db2.gz HLQHYCGGEODTPC-NHCUHLMSSA-N 1 3 360.505 3.597 20 0 FHADHO Cc1nc2ccccn2c1C[N@@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000579696213 927111353 /nfs/dbraw/zinc/11/13/53/927111353.db2.gz HLQHYCGGEODTPC-NHCUHLMSSA-N 1 3 360.505 3.597 20 0 FHADHO CN1CC[C@@]2(CC[N@H+](Cc3c[nH]nc3-c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000430147197 927316395 /nfs/dbraw/zinc/31/63/95/927316395.db2.gz KMWDUYGHVMDDQG-GOSISDBHSA-N 1 3 364.415 3.623 20 0 FHADHO CN1CC[C@@]2(CC[N@@H+](Cc3c[nH]nc3-c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000430147197 927316403 /nfs/dbraw/zinc/31/64/03/927316403.db2.gz KMWDUYGHVMDDQG-GOSISDBHSA-N 1 3 364.415 3.623 20 0 FHADHO C[C@@H](Cc1ccc(F)cc1Br)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643547180 927459046 /nfs/dbraw/zinc/45/90/46/927459046.db2.gz AQQZJAFYNLQNNA-SWLSCSKDSA-N 1 3 355.295 3.784 20 0 FHADHO C[C@@H](Cc1ccc(F)cc1Br)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643547180 927459050 /nfs/dbraw/zinc/45/90/50/927459050.db2.gz AQQZJAFYNLQNNA-SWLSCSKDSA-N 1 3 355.295 3.784 20 0 FHADHO C[C@@H]1CN(CCC2CC[NH+](C[C@H]3CCC4(CCCC4)O3)CC2)C[C@H](C)O1 ZINC000530463465 927569771 /nfs/dbraw/zinc/56/97/71/927569771.db2.gz BJFYGJYLPMVWIR-SVFBPWRDSA-N 1 3 364.574 3.690 20 0 FHADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@](C)(c3ccccc3)CC2)CC1 ZINC000510078996 927797415 /nfs/dbraw/zinc/79/74/15/927797415.db2.gz NNOZEIINWGZDDW-HSZRJFAPSA-N 1 3 357.586 3.846 20 0 FHADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@](C)(c3ccccc3)CC2)CC1 ZINC000510078996 927797419 /nfs/dbraw/zinc/79/74/19/927797419.db2.gz NNOZEIINWGZDDW-HSZRJFAPSA-N 1 3 357.586 3.846 20 0 FHADHO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)CC3 ZINC000180312854 929457958 /nfs/dbraw/zinc/45/79/58/929457958.db2.gz CZARLMXHHUYSHE-CEXWTWQISA-N 1 3 369.553 3.813 20 0 FHADHO Cc1ccc([C@@H](CNC(=O)Nc2ccccc2CC[NH+](C)C)N(C)C)cc1 ZINC000275646498 929695519 /nfs/dbraw/zinc/69/55/19/929695519.db2.gz MGTOYEMCUNJRCM-OAQYLSRUSA-N 1 3 368.525 3.524 20 0 FHADHO C[C@H]([NH3+])c1ccc(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)cc1 ZINC000580067797 930209136 /nfs/dbraw/zinc/20/91/36/930209136.db2.gz JSDUGHRBYKQORC-LPHOPBHVSA-N 1 3 371.550 3.971 20 0 FHADHO c1ccc2c(c1)sc1c2CCC[C@@H]1NCc1n[nH]c(C2CC[NH2+]CC2)n1 ZINC000580182424 930338352 /nfs/dbraw/zinc/33/83/52/930338352.db2.gz UGOYSWHRDYCQJJ-INIZCTEOSA-N 1 3 367.522 3.654 20 0 FHADHO C[C@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)c1ccc(NC2=NCCC2)cc1 ZINC001167393472 930627717 /nfs/dbraw/zinc/62/77/17/930627717.db2.gz TXJHSXZUHCXIEK-QFBILLFUSA-N 1 3 356.514 3.626 20 0 FHADHO CCN1CCN(Cc2ccc(C[NH2+]Cc3cc4ccccc4[nH]3)cc2)CC1 ZINC000683928105 930640615 /nfs/dbraw/zinc/64/06/15/930640615.db2.gz VGSIRTHWEGLEFV-UHFFFAOYSA-N 1 3 362.521 3.595 20 0 FHADHO CC(C)N1CC[C@H](C[NH2+][C@@H](C)Cc2ccc(Br)cc2F)C1 ZINC000580801763 931165883 /nfs/dbraw/zinc/16/58/83/931165883.db2.gz WYSDEHUNVQQQMR-UONOGXRCSA-N 1 3 357.311 3.839 20 0 FHADHO [NH3+]Cc1ccc(CN[C@@H]2CCCOc3cc(Br)ccc32)cc1 ZINC000581132918 931604838 /nfs/dbraw/zinc/60/48/38/931604838.db2.gz RRNLVFRTWNCTSB-QGZVFWFLSA-N 1 3 361.283 3.911 20 0 FHADHO COCCNc1ccc(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000548155306 931709271 /nfs/dbraw/zinc/70/92/71/931709271.db2.gz RRYNRDDFCYMGHF-SIKLNZKXSA-N 1 3 367.537 3.745 20 0 FHADHO COCCNc1ccc(CN[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000548155306 931709280 /nfs/dbraw/zinc/70/92/80/931709280.db2.gz RRYNRDDFCYMGHF-SIKLNZKXSA-N 1 3 367.537 3.745 20 0 FHADHO COCCNc1ccc(CN[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000548155306 931709292 /nfs/dbraw/zinc/70/92/92/931709292.db2.gz RRYNRDDFCYMGHF-SIKLNZKXSA-N 1 3 367.537 3.745 20 0 FHADHO CC(C)[C@@](C)(C[NH3+])NCCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000430565514 931885077 /nfs/dbraw/zinc/88/50/77/931885077.db2.gz AOXZQZSHHUMGFV-OAQYLSRUSA-N 1 3 355.482 3.771 20 0 FHADHO C[C@@H]([NH3+])[C@@H]1CCCN(CCC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000430574046 931924470 /nfs/dbraw/zinc/92/44/70/931924470.db2.gz SDACETHMSDYEPL-QZTJIDSGSA-N 1 3 367.493 3.867 20 0 FHADHO CN(C)Cc1ccc(-c2noc(-c3ccc4c(c3)[C@H](C[NH3+])CCC4)n2)cc1 ZINC000656560184 932072453 /nfs/dbraw/zinc/07/24/53/932072453.db2.gz NNOHUNLUPONXHL-IBGZPJMESA-N 1 3 362.477 3.844 20 0 FHADHO COc1cc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)ccc1OCc1cccs1 ZINC000564452591 932249281 /nfs/dbraw/zinc/24/92/81/932249281.db2.gz GWXFVBFPZHWSNY-UHOSZYNNSA-N 1 3 372.534 3.895 20 0 FHADHO C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)N[C@@H](C[NH3+])C1CCCC1 ZINC000581713889 932546143 /nfs/dbraw/zinc/54/61/43/932546143.db2.gz ZHYZYEGXILNPHL-WBMJQRKESA-N 1 3 357.420 3.530 20 0 FHADHO C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)N[C@H](C[NH3+])C1CCCC1 ZINC000581713886 932546276 /nfs/dbraw/zinc/54/62/76/932546276.db2.gz ZHYZYEGXILNPHL-BLLLJJGKSA-N 1 3 357.420 3.530 20 0 FHADHO Cc1ncc([C@@H](C)[NH2+]CCCCN2CCN(c3ccccc3)CC2)s1 ZINC000090404921 932617306 /nfs/dbraw/zinc/61/73/06/932617306.db2.gz FYHDOOLOJAMOPP-QGZVFWFLSA-N 1 3 358.555 3.705 20 0 FHADHO CC[C@@H](C)N[C@H](CNC(=O)c1cccc(C[NH+]2CCCC2)c1)c1ccco1 ZINC000581963948 933125938 /nfs/dbraw/zinc/12/59/38/933125938.db2.gz SUXCAIFNPMRIHC-YLJYHZDGSA-N 1 3 369.509 3.735 20 0 FHADHO Cn1nccc1-c1ccccc1C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000510674059 933395527 /nfs/dbraw/zinc/39/55/27/933395527.db2.gz GPVKFJDFULGQQS-OAQYLSRUSA-N 1 3 374.532 3.741 20 0 FHADHO Cn1nccc1-c1ccccc1CNC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000510674059 933395537 /nfs/dbraw/zinc/39/55/37/933395537.db2.gz GPVKFJDFULGQQS-OAQYLSRUSA-N 1 3 374.532 3.741 20 0 FHADHO Cn1nccc1-c1ccccc1CNC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000510674059 933395544 /nfs/dbraw/zinc/39/55/44/933395544.db2.gz GPVKFJDFULGQQS-OAQYLSRUSA-N 1 3 374.532 3.741 20 0 FHADHO Cn1nccc1-c1ccccc1C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000510674058 933395869 /nfs/dbraw/zinc/39/58/69/933395869.db2.gz GPVKFJDFULGQQS-NRFANRHFSA-N 1 3 374.532 3.741 20 0 FHADHO Cn1nccc1-c1ccccc1CNC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000510674058 933395877 /nfs/dbraw/zinc/39/58/77/933395877.db2.gz GPVKFJDFULGQQS-NRFANRHFSA-N 1 3 374.532 3.741 20 0 FHADHO Cn1nccc1-c1ccccc1CNC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000510674058 933395885 /nfs/dbraw/zinc/39/58/85/933395885.db2.gz GPVKFJDFULGQQS-NRFANRHFSA-N 1 3 374.532 3.741 20 0 FHADHO Cc1nn(-c2ccc(Cl)cc2)c(C)c1CN1CCC2(CC[NH2+]C2)CC1 ZINC000430932356 933426112 /nfs/dbraw/zinc/42/61/12/933426112.db2.gz FWBDPVBLPJYIQN-UHFFFAOYSA-N 1 3 358.917 3.718 20 0 FHADHO CN(Cc1ccccc1)Cc1cccc(C(=O)NCC[NH+]2CCCCC2)c1 ZINC000510823396 933807115 /nfs/dbraw/zinc/80/71/15/933807115.db2.gz AUDGFSQRAIZQFV-UHFFFAOYSA-N 1 3 365.521 3.534 20 0 FHADHO CC[C@H]([NH2+]C[C@H]1CCN(CC)C1)c1ccc(I)cc1 ZINC000610799769 934426267 /nfs/dbraw/zinc/42/62/67/934426267.db2.gz QCTKCWSUHCNFKE-CJNGLKHVSA-N 1 3 372.294 3.674 20 0 FHADHO CC[C@H](NC[C@H]1CC[N@H+](CC)C1)c1ccc(I)cc1 ZINC000610799769 934426268 /nfs/dbraw/zinc/42/62/68/934426268.db2.gz QCTKCWSUHCNFKE-CJNGLKHVSA-N 1 3 372.294 3.674 20 0 FHADHO CC[C@H](NC[C@H]1CC[N@@H+](CC)C1)c1ccc(I)cc1 ZINC000610799769 934426271 /nfs/dbraw/zinc/42/62/71/934426271.db2.gz QCTKCWSUHCNFKE-CJNGLKHVSA-N 1 3 372.294 3.674 20 0 FHADHO CC1CCN([C@H](CNC(=O)C[C@@H]([NH3+])c2ccccc2)c2cccs2)CC1 ZINC000236660009 934759636 /nfs/dbraw/zinc/75/96/36/934759636.db2.gz NZZGWKRVWQOFTD-RTBURBONSA-N 1 3 371.550 3.727 20 0 FHADHO Cc1ccc2[nH]c(CNCc3ccccc3C[N@@H+]3CC[C@H](O)C3)cc2c1C ZINC000472040786 934878751 /nfs/dbraw/zinc/87/87/51/934878751.db2.gz ABULURBXNIIWFM-NRFANRHFSA-N 1 3 363.505 3.641 20 0 FHADHO Cc1ccc2[nH]c(CNCc3ccccc3C[N@H+]3CC[C@H](O)C3)cc2c1C ZINC000472040786 934878756 /nfs/dbraw/zinc/87/87/56/934878756.db2.gz ABULURBXNIIWFM-NRFANRHFSA-N 1 3 363.505 3.641 20 0 FHADHO CN(CCNC(=O)C1CC[NH+](CCCC2CCC2)CC1)Cc1ccccc1 ZINC001167529477 935135051 /nfs/dbraw/zinc/13/50/51/935135051.db2.gz NMTFFMXHNYDACT-UHFFFAOYSA-N 1 3 371.569 3.527 20 0 FHADHO C[C@@H](Cc1ccsc1)[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000544024234 935251496 /nfs/dbraw/zinc/25/14/96/935251496.db2.gz WDWDNZBMYDPXMW-RCCFBDPRSA-N 1 3 350.572 3.890 20 0 FHADHO Clc1ccccc1CN1CCC(C[NH2+]Cc2ccnn2CC2CC2)CC1 ZINC000657353615 935329335 /nfs/dbraw/zinc/32/93/35/935329335.db2.gz IGAQLFKKZMUZHI-UHFFFAOYSA-N 1 3 372.944 3.948 20 0 FHADHO c1cn(C2CC[NH+](CCCN3CCC(Cc4ccccc4)CC3)CC2)cn1 ZINC001167572555 935666558 /nfs/dbraw/zinc/66/65/58/935666558.db2.gz PCKQNEBOYXNSDO-UHFFFAOYSA-N 1 3 366.553 3.865 20 0 FHADHO CCC[C@H]1[C@@H](C)CCCN1C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000582429031 935689294 /nfs/dbraw/zinc/68/92/94/935689294.db2.gz HWKVJDYMLCAFLJ-RXVVDRJESA-N 1 3 363.590 3.610 20 0 FHADHO Cc1cccc2[nH]c(CNCc3ccccc3C[N@@H+]3CCC[C@H]3CO)cc21 ZINC000657428744 935703477 /nfs/dbraw/zinc/70/34/77/935703477.db2.gz AWPZQXGMGWXSKG-NRFANRHFSA-N 1 3 363.505 3.723 20 0 FHADHO Cc1cccc2[nH]c(CNCc3ccccc3C[N@H+]3CCC[C@H]3CO)cc21 ZINC000657428744 935703480 /nfs/dbraw/zinc/70/34/80/935703480.db2.gz AWPZQXGMGWXSKG-NRFANRHFSA-N 1 3 363.505 3.723 20 0 FHADHO Cc1c(Br)cncc1C[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000657452422 935805240 /nfs/dbraw/zinc/80/52/40/935805240.db2.gz FEUKPXQBKQTHOW-KRWDZBQOSA-N 1 3 374.326 3.764 20 0 FHADHO COCCC[NH+]1CCC(N[C@@H](C)c2cccc(-c3ccncc3)c2)CC1 ZINC000159238251 935819139 /nfs/dbraw/zinc/81/91/39/935819139.db2.gz VRKMBBUSENQKFW-SFHVURJKSA-N 1 3 353.510 3.900 20 0 FHADHO O[C@@H]1CC[N@H+](Cc2ccc(CNCc3ccc(C(F)(F)F)s3)cc2)C1 ZINC000657597313 936072582 /nfs/dbraw/zinc/07/25/82/936072582.db2.gz TVLZFYAWJHTYMQ-OAHLLOKOSA-N 1 3 370.440 3.623 20 0 FHADHO O[C@@H]1CC[N@@H+](Cc2ccc(CNCc3ccc(C(F)(F)F)s3)cc2)C1 ZINC000657597313 936072586 /nfs/dbraw/zinc/07/25/86/936072586.db2.gz TVLZFYAWJHTYMQ-OAHLLOKOSA-N 1 3 370.440 3.623 20 0 FHADHO O[C@@H]1CC[N@H+](Cc2ccc(CNCc3ccc(Cl)c(Cl)c3)cc2)C1 ZINC000657593579 936073462 /nfs/dbraw/zinc/07/34/62/936073462.db2.gz IIGNUUZDFGNSMS-QGZVFWFLSA-N 1 3 365.304 3.850 20 0 FHADHO O[C@@H]1CC[N@@H+](Cc2ccc(CNCc3ccc(Cl)c(Cl)c3)cc2)C1 ZINC000657593579 936073468 /nfs/dbraw/zinc/07/34/68/936073468.db2.gz IIGNUUZDFGNSMS-QGZVFWFLSA-N 1 3 365.304 3.850 20 0 FHADHO Clc1cnc2oc(C[NH2+]CC3CCN(Cc4ccncc4)CC3)cc2c1 ZINC000657612589 936092705 /nfs/dbraw/zinc/09/27/05/936092705.db2.gz APMZVXNQRCCWRR-UHFFFAOYSA-N 1 3 370.884 3.878 20 0 FHADHO c1oc(-c2ccccc2)nc1CNCC1CC[NH+](Cc2ccncc2)CC1 ZINC000657611724 936093018 /nfs/dbraw/zinc/09/30/18/936093018.db2.gz DVPWRUGVVNFYGS-UHFFFAOYSA-N 1 3 362.477 3.738 20 0 FHADHO COc1ccccc1/C=C\C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657613296 936093243 /nfs/dbraw/zinc/09/32/43/936093243.db2.gz XJCIBGRMUOAFRF-XQRVVYSFSA-N 1 3 351.494 3.605 20 0 FHADHO Fc1ccc(/C=C\C[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1F ZINC000657612667 936098932 /nfs/dbraw/zinc/09/89/32/936098932.db2.gz CGAWELQPSFKDCL-UPHRSURJSA-N 1 3 357.448 3.875 20 0 FHADHO C[C@@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccc(-c2ccc3c(c2)C[C@@H](C)O3)cc1 ZINC000582899176 936271044 /nfs/dbraw/zinc/27/10/44/936271044.db2.gz AJTLXIFXQSAXNO-ZPGKAZOCSA-N 1 3 366.505 3.519 20 0 FHADHO COCC[C@@H](c1ccccc1)[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000536034199 938261737 /nfs/dbraw/zinc/26/17/37/938261737.db2.gz BJEOGMJFEAZLOS-JQVVWYNYSA-N 1 3 360.542 3.585 20 0 FHADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC000156553657 938265700 /nfs/dbraw/zinc/26/57/00/938265700.db2.gz PSBHTNUMIYOASZ-GOSISDBHSA-N 1 3 365.521 3.704 20 0 FHADHO Cc1cc(CN2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c(OC(F)F)cc1C ZINC000650706583 938286522 /nfs/dbraw/zinc/28/65/22/938286522.db2.gz NZMMPOLIURFXOE-JQHSSLGASA-N 1 3 368.468 3.623 20 0 FHADHO Cc1cc(Br)c(CN2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)s1 ZINC000650708774 938291396 /nfs/dbraw/zinc/29/13/96/938291396.db2.gz MDIKRDUZWPNUKB-GUTXKFCHSA-N 1 3 373.360 3.537 20 0 FHADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000650723178 938310183 /nfs/dbraw/zinc/31/01/83/938310183.db2.gz IKUWPFALWOJWHE-HJNYFJLDSA-N 1 3 369.484 3.749 20 0 FHADHO COc1cc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)ccc1OCC(F)(F)F ZINC000583828237 938433832 /nfs/dbraw/zinc/43/38/32/938433832.db2.gz RPRIJSPHAPURAL-OAGGEKHMSA-N 1 3 372.431 3.599 20 0 FHADHO COc1cc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)ccc1OCC(F)(F)F ZINC000583828237 938433835 /nfs/dbraw/zinc/43/38/35/938433835.db2.gz RPRIJSPHAPURAL-OAGGEKHMSA-N 1 3 372.431 3.599 20 0 FHADHO COc1cc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)ccc1OCC(F)(F)F ZINC000583828237 938433837 /nfs/dbraw/zinc/43/38/37/938433837.db2.gz RPRIJSPHAPURAL-OAGGEKHMSA-N 1 3 372.431 3.599 20 0 FHADHO CCN1CCN(Cc2ccc(C[NH2+]Cc3ccc4[nH]ccc4c3)cc2)CC1 ZINC000584004365 938534341 /nfs/dbraw/zinc/53/43/41/938534341.db2.gz JFKZFTRIWDTUGM-UHFFFAOYSA-N 1 3 362.521 3.595 20 0 FHADHO C[C@@H]([NH3+])C[C@H](C)NCCOc1ccc2cc(Br)ccc2c1 ZINC000566967862 938687467 /nfs/dbraw/zinc/68/74/67/938687467.db2.gz SXKZZKSHGFBZFE-OLZOCXBDSA-N 1 3 351.288 3.697 20 0 FHADHO CCOC1CCC([NH2+]CCCCN2CCN(Cc3ccccc3)CC2)CC1 ZINC000657841617 938700445 /nfs/dbraw/zinc/70/04/45/938700445.db2.gz PVMJKZWWNUZRQI-UHFFFAOYSA-N 1 3 373.585 3.522 20 0 FHADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]C[C@H]1CCOc2ccccc21 ZINC000708530085 938802640 /nfs/dbraw/zinc/80/26/40/938802640.db2.gz WLWOEVXNYJJASM-HMXCVIKNSA-N 1 3 350.506 3.910 20 0 FHADHO Cc1cc([C@H](C)NCc2ccc(C(=O)NCC[NH+](C)C)cc2)cc(C)c1F ZINC000090038629 938867953 /nfs/dbraw/zinc/86/79/53/938867953.db2.gz VKWWYCAUSPWEMN-KRWDZBQOSA-N 1 3 371.500 3.585 20 0 FHADHO CN(C)Cc1ccc(CNC2CC[NH+](CCc3ccccc3)CC2)cc1F ZINC000090919991 938878874 /nfs/dbraw/zinc/87/88/74/938878874.db2.gz FYHBWMGRAXSOMA-UHFFFAOYSA-N 1 3 369.528 3.684 20 0 FHADHO COC(=O)c1cc(CN(C)CCC2CCN(c3cc[nH+]cc3)CC2)oc1C ZINC000092821329 938921714 /nfs/dbraw/zinc/92/17/14/938921714.db2.gz JLGHOQSJLUMTNB-UHFFFAOYSA-N 1 3 371.481 3.508 20 0 FHADHO Clc1ccccc1CN1CCC(C[NH2+][C@H]2CCCn3nccc32)CC1 ZINC000657883636 938971545 /nfs/dbraw/zinc/97/15/45/938971545.db2.gz ZTSNXZAIWARBBC-IBGZPJMESA-N 1 3 358.917 3.873 20 0 FHADHO CCC[NH+]1CCN(c2ccccc2CNCc2cccc(N(C)C)c2)CC1 ZINC000151920854 938971623 /nfs/dbraw/zinc/97/16/23/938971623.db2.gz GJZZBBXGJICBOK-UHFFFAOYSA-N 1 3 366.553 3.574 20 0 FHADHO Cc1cccc2nc(CCNC3CC[NH+]([C@@H]4CCCC[C@H]4C)CC3)cn21 ZINC000647364751 938995950 /nfs/dbraw/zinc/99/59/50/938995950.db2.gz KXFYMCLRZISJQG-DYESRHJHSA-N 1 3 354.542 3.818 20 0 FHADHO CC[C@@H](NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cc(C)ccc1OC ZINC000658141443 939034878 /nfs/dbraw/zinc/03/48/78/939034878.db2.gz XDBNFHSIPFIOIH-IFMALSPDSA-N 1 3 368.521 3.811 20 0 FHADHO CC[C@@H](NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cc(C)ccc1OC ZINC000658141443 939034881 /nfs/dbraw/zinc/03/48/81/939034881.db2.gz XDBNFHSIPFIOIH-IFMALSPDSA-N 1 3 368.521 3.811 20 0 FHADHO C[C@@H](NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccc(Cl)c(F)c1 ZINC000658138009 939040552 /nfs/dbraw/zinc/04/05/52/939040552.db2.gz LSLSBGPWLLPOBD-KDOFPFPSSA-N 1 3 362.876 3.897 20 0 FHADHO C[C@@H](NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc(Cl)c(F)c1 ZINC000658138009 939040556 /nfs/dbraw/zinc/04/05/56/939040556.db2.gz LSLSBGPWLLPOBD-KDOFPFPSSA-N 1 3 362.876 3.897 20 0 FHADHO COc1cc(C)ccc1[C@@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658165697 939053204 /nfs/dbraw/zinc/05/32/04/939053204.db2.gz KFZPXBSKKSEJLO-GOSISDBHSA-N 1 3 353.510 3.961 20 0 FHADHO CC(C)[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccc(F)cn1 ZINC000658166754 939053810 /nfs/dbraw/zinc/05/38/10/939053810.db2.gz OMHCXZOZBJNBHI-OAQYLSRUSA-N 1 3 356.489 3.815 20 0 FHADHO Oc1cccc2c1CCC[C@H]2[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658168075 939054400 /nfs/dbraw/zinc/05/44/00/939054400.db2.gz VJGYCSYXZJVRNP-OAQYLSRUSA-N 1 3 351.494 3.666 20 0 FHADHO Fc1ccc2c(c1)[C@@H]([NH2+]CC1CCN(Cc3ccncc3)CC1)CCCO2 ZINC000658168820 939055574 /nfs/dbraw/zinc/05/55/74/939055574.db2.gz ZIUJGNRIFKGIDJ-NRFANRHFSA-N 1 3 369.484 3.936 20 0 FHADHO Clc1cccc2c1SCC[C@@H]2NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658296128 939101219 /nfs/dbraw/zinc/10/12/19/939101219.db2.gz XPTIJLQCODBVLG-PBHICJAKSA-N 1 3 352.931 3.720 20 0 FHADHO Cc1nn(C)cc1[C@H](C)[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000658320125 939110701 /nfs/dbraw/zinc/11/07/01/939110701.db2.gz NAPAWWYTTMROSU-PXNSSMCTSA-N 1 3 352.526 3.681 20 0 FHADHO Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000658319442 939111473 /nfs/dbraw/zinc/11/14/73/939111473.db2.gz AWBXWBOIGIYVEY-FPOVZHCZSA-N 1 3 364.537 3.689 20 0 FHADHO CC[NH+](CC)CCCC1CCN(Cc2cc(OC)c(O)c(OC)c2)CC1 ZINC000516776002 945244845 /nfs/dbraw/zinc/24/48/45/945244845.db2.gz NEICTZLKIJYJME-UHFFFAOYSA-N 1 3 364.530 3.743 20 0 FHADHO CC(C)[C@H](C[NH2+]C1CCN(CCC(F)(F)F)CC1)N1CCCCCC1 ZINC000507460631 945249282 /nfs/dbraw/zinc/24/92/82/945249282.db2.gz IXFAMGJIGFMIAR-SFHVURJKSA-N 1 3 363.512 3.893 20 0 FHADHO CC[C@@H]1CCCN(CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000518250475 945253100 /nfs/dbraw/zinc/25/31/00/945253100.db2.gz GVUPQYNCBLUGNA-HXUWFJFHSA-N 1 3 371.569 3.588 20 0 FHADHO CC(C)(C)OC(=O)CCC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000507487533 945275161 /nfs/dbraw/zinc/27/51/61/945275161.db2.gz RIRRBEAABZPHKY-VAMGGRTRSA-N 1 3 358.526 3.609 20 0 FHADHO OC1CC[NH+](Cc2ccc(CN[C@H]3CCc4ccc(F)cc43)cc2)CC1 ZINC000132713504 939898276 /nfs/dbraw/zinc/89/82/76/939898276.db2.gz MYGAGHSKPZKNGF-QFIPXVFZSA-N 1 3 354.469 3.560 20 0 FHADHO C[C@H]([NH2+]CC1CCN(Cc2ccccc2Cl)CC1)[C@@H]1CCCOC1 ZINC000507516750 945280068 /nfs/dbraw/zinc/28/00/68/945280068.db2.gz XRFACYNMPBNZGU-QFBILLFUSA-N 1 3 350.934 3.957 20 0 FHADHO c1[nH]c2ncccc2c1CC[NH2+][C@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000507508230 945287498 /nfs/dbraw/zinc/28/74/98/945287498.db2.gz JHQSITUYCKCNHE-BVSLBCMMSA-N 1 3 360.505 3.606 20 0 FHADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2C2CC2)cc1 ZINC000507508666 945288598 /nfs/dbraw/zinc/28/85/98/945288598.db2.gz KAAUVLCYSPJWHO-FCHUYYIVSA-N 1 3 369.553 3.571 20 0 FHADHO C[C@H](CCO)C1(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCC1 ZINC000507536273 945295629 /nfs/dbraw/zinc/29/56/29/945295629.db2.gz WLXJOJWILQQYKX-RYFAJOAYSA-N 1 3 356.554 3.675 20 0 FHADHO C[C@@H]1CN(C(=O)c2cccc(CN3CCCCC3)c2)CC[N@@H+](C2CCC2)C1 ZINC000413837905 940170979 /nfs/dbraw/zinc/17/09/79/940170979.db2.gz RWKSXBLHKDEZSJ-IBGZPJMESA-N 1 3 369.553 3.619 20 0 FHADHO C[C@@H]1CN(C(=O)c2cccc(CN3CCCCC3)c2)CC[N@H+](C2CCC2)C1 ZINC000413837905 940170981 /nfs/dbraw/zinc/17/09/81/940170981.db2.gz RWKSXBLHKDEZSJ-IBGZPJMESA-N 1 3 369.553 3.619 20 0 FHADHO COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000531142551 940472595 /nfs/dbraw/zinc/47/25/95/940472595.db2.gz ODZNGGQVXSIQAD-UHFFFAOYSA-N 1 3 374.481 3.581 20 0 FHADHO CCN1CCN(CCC[NH2+][C@H]2CCC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000414070057 940476547 /nfs/dbraw/zinc/47/65/47/940476547.db2.gz RZHBXJSWDRDZED-CTNGQTDRSA-N 1 3 363.977 3.983 20 0 FHADHO C[C@@H](NCC[C@H]1CCC[N@H+](C)C1)c1ccccc1I ZINC000414184869 940726777 /nfs/dbraw/zinc/72/67/77/940726777.db2.gz OOZLWACMNMDXKO-ZIAGYGMSSA-N 1 3 372.294 3.674 20 0 FHADHO C[C@@H](NCC[C@H]1CCC[N@@H+](C)C1)c1ccccc1I ZINC000414184869 940726780 /nfs/dbraw/zinc/72/67/80/940726780.db2.gz OOZLWACMNMDXKO-ZIAGYGMSSA-N 1 3 372.294 3.674 20 0 FHADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@@H](CO)c2ccc(F)cc2)CC1 ZINC000414305041 940932015 /nfs/dbraw/zinc/93/20/15/940932015.db2.gz YEKMWFHIFLJTFR-RXVVDRJESA-N 1 3 370.512 3.587 20 0 FHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cscc3Cl)CC2)CC1 ZINC000636438098 941069800 /nfs/dbraw/zinc/06/98/00/941069800.db2.gz NSFQECNJXVYBET-UHFFFAOYSA-N 1 3 355.935 3.536 20 0 FHADHO O=C(C[C@@H]1NCc2ccccc21)NCc1ccccc1C[NH+]1CCCCC1 ZINC000659274712 941142562 /nfs/dbraw/zinc/14/25/62/941142562.db2.gz QFTKVOLXBULICY-QFIPXVFZSA-N 1 3 363.505 3.523 20 0 FHADHO Cc1ccc(NC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)c(CN(C)C)c1 ZINC000659285960 941147141 /nfs/dbraw/zinc/14/71/41/941147141.db2.gz ULTNAZACRPZFNU-SFHVURJKSA-N 1 3 351.494 3.688 20 0 FHADHO COc1ccc([C@@H](C[NH3+])CN2CCCC[C@H]2c2ccccc2OC)cc1 ZINC000643057876 941535262 /nfs/dbraw/zinc/53/52/62/941535262.db2.gz RDVMCKHFOSALDQ-RXVVDRJESA-N 1 3 354.494 3.973 20 0 FHADHO COc1ccc([C@@H](CN)C[N@@H+]2CCCC[C@H]2c2ccccc2OC)cc1 ZINC000643057876 941535266 /nfs/dbraw/zinc/53/52/66/941535266.db2.gz RDVMCKHFOSALDQ-RXVVDRJESA-N 1 3 354.494 3.973 20 0 FHADHO COc1ccc([C@@H](CN)C[N@H+]2CCCC[C@H]2c2ccccc2OC)cc1 ZINC000643057876 941535269 /nfs/dbraw/zinc/53/52/69/941535269.db2.gz RDVMCKHFOSALDQ-RXVVDRJESA-N 1 3 354.494 3.973 20 0 FHADHO COc1cc(CN2CC[C@@H](C)[C@@H](C[NH3+])C2)c(-c2ccccc2)cc1OC ZINC000415122814 941619111 /nfs/dbraw/zinc/61/91/11/941619111.db2.gz ISBPKYXSLJGHMX-APWZRJJASA-N 1 3 354.494 3.788 20 0 FHADHO [NH3+][C@H]1CCO[C@@H](C2CCN(Cc3ccc(-c4ccccc4F)o3)CC2)C1 ZINC000415122714 941619569 /nfs/dbraw/zinc/61/95/69/941619569.db2.gz KLOSLIIRJPURGL-HRAATJIYSA-N 1 3 358.457 3.804 20 0 FHADHO [NH3+][C@H]1CCO[C@@H](C2CCN(CCCc3c(F)cccc3Cl)CC2)C1 ZINC000415127765 941622722 /nfs/dbraw/zinc/62/27/22/941622722.db2.gz RETYMQSTSPJLGY-HNAYVOBHSA-N 1 3 354.897 3.630 20 0 FHADHO COCCOCc1ccc(CNC[C@H]2CC[N@H+](C)[C@@H]2c2cccs2)cc1 ZINC000377404229 941697448 /nfs/dbraw/zinc/69/74/48/941697448.db2.gz PMBPOKWZSZNWHW-CTNGQTDRSA-N 1 3 374.550 3.694 20 0 FHADHO COCCOCc1ccc(CNC[C@H]2CC[N@@H+](C)[C@@H]2c2cccs2)cc1 ZINC000377404229 941697451 /nfs/dbraw/zinc/69/74/51/941697451.db2.gz PMBPOKWZSZNWHW-CTNGQTDRSA-N 1 3 374.550 3.694 20 0 FHADHO COCCOCc1ccc(CNC[C@H]2CC[N@H+](C)[C@H]2c2cccs2)cc1 ZINC000377404235 941698110 /nfs/dbraw/zinc/69/81/10/941698110.db2.gz PMBPOKWZSZNWHW-TZIWHRDSSA-N 1 3 374.550 3.694 20 0 FHADHO COCCOCc1ccc(CNC[C@H]2CC[N@@H+](C)[C@H]2c2cccs2)cc1 ZINC000377404235 941698113 /nfs/dbraw/zinc/69/81/13/941698113.db2.gz PMBPOKWZSZNWHW-TZIWHRDSSA-N 1 3 374.550 3.694 20 0 FHADHO CCN(C(=O)Nc1ccccc1C[NH2+]C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000415917389 942141599 /nfs/dbraw/zinc/14/15/99/942141599.db2.gz DDCOFBHGPPUUHT-HXUWFJFHSA-N 1 3 366.509 3.534 20 0 FHADHO CC[NH2+]Cc1ccccc1NC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000415940948 942172080 /nfs/dbraw/zinc/17/20/80/942172080.db2.gz FSOGGNUZXNMTTD-UHFFFAOYSA-N 1 3 372.488 3.531 20 0 FHADHO CC[NH2+]Cc1ccccc1NC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000415942922 942174410 /nfs/dbraw/zinc/17/44/10/942174410.db2.gz KSLIYGHALMOOGN-NRFANRHFSA-N 1 3 366.509 3.755 20 0 FHADHO C[NH2+]Cc1cccc(NC(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)c1 ZINC000415943301 942174527 /nfs/dbraw/zinc/17/45/27/942174527.db2.gz LJBSGKCKQQQSMV-SFHVURJKSA-N 1 3 366.509 3.534 20 0 FHADHO C[NH2+]Cc1cccc(NC(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000415945613 942179678 /nfs/dbraw/zinc/17/96/78/942179678.db2.gz RSDHZUCSIHYLCI-NRFANRHFSA-N 1 3 366.509 3.534 20 0 FHADHO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000502048401 942199063 /nfs/dbraw/zinc/19/90/63/942199063.db2.gz XQYZORRJPXBYRO-CTNGQTDRSA-N 1 3 357.542 3.571 20 0 FHADHO CC[NH2+]Cc1ccccc1NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000415964283 942202835 /nfs/dbraw/zinc/20/28/35/942202835.db2.gz ZNWHFRLIILKUOS-FQEVSTJZSA-N 1 3 366.509 3.534 20 0 FHADHO CCN1CCC([N@@H+]2CCCN(C[C@@H](C)c3cccc(Cl)c3)CC2)CC1 ZINC000420972364 942285836 /nfs/dbraw/zinc/28/58/36/942285836.db2.gz ANLUEWSXFVEBKU-GOSISDBHSA-N 1 3 363.977 3.936 20 0 FHADHO CCN1CCC([N@H+]2CCCN(C[C@@H](C)c3cccc(Cl)c3)CC2)CC1 ZINC000420972364 942285845 /nfs/dbraw/zinc/28/58/45/942285845.db2.gz ANLUEWSXFVEBKU-GOSISDBHSA-N 1 3 363.977 3.936 20 0 FHADHO Cc1cccc(NC(=O)[C@H](C)N(C)CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000501074123 942295786 /nfs/dbraw/zinc/29/57/86/942295786.db2.gz BTGPCZUTZJCCGG-SFHVURJKSA-N 1 3 366.509 3.565 20 0 FHADHO Cc1ncc(CN2CC[C@@H]([NH2+]C3CCN(C(C)(C)C)CC3)[C@H](C)C2)s1 ZINC000378184168 942364518 /nfs/dbraw/zinc/36/45/18/942364518.db2.gz MEVYBSMFVYSSOT-DNVCBOLYSA-N 1 3 364.603 3.514 20 0 FHADHO Brc1cccc(-c2nc(CNCC[C@H]3CC[NH2+]C3)cs2)c1 ZINC000414834875 942516331 /nfs/dbraw/zinc/51/63/31/942516331.db2.gz RBICPYUTFBFDDF-GFCCVEGCSA-N 1 3 366.328 3.662 20 0 FHADHO OC1CC[NH+](Cc2ccccc2CNCc2cccc(C3CC3)c2)CC1 ZINC000421372770 942522988 /nfs/dbraw/zinc/52/29/88/942522988.db2.gz YXQXHABCISNJRI-UHFFFAOYSA-N 1 3 350.506 3.811 20 0 FHADHO C[NH+](C)C1CCC(NCc2csc(-c3ccc4c(c3)OCO4)n2)CC1 ZINC000421374569 942524565 /nfs/dbraw/zinc/52/45/65/942524565.db2.gz PFTHNYSCERLNFB-UHFFFAOYSA-N 1 3 359.495 3.501 20 0 FHADHO COc1ccc([C@H](C[NH3+])CN2CCC[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000420295870 942598661 /nfs/dbraw/zinc/59/86/61/942598661.db2.gz BBVZVIWWANSQGQ-DYESRHJHSA-N 1 3 370.493 3.592 20 0 FHADHO CCc1csc([C@H]2CCCN(C[C@@H](C[NH3+])c3ccc(OC)cc3)C2)n1 ZINC000420323065 942608545 /nfs/dbraw/zinc/60/85/45/942608545.db2.gz TVMHGLYSKMLBLT-DLBZAZTESA-N 1 3 359.539 3.636 20 0 FHADHO CCc1csc([C@H]2CCC[N@H+](C[C@@H](CN)c3ccc(OC)cc3)C2)n1 ZINC000420323065 942608549 /nfs/dbraw/zinc/60/85/49/942608549.db2.gz TVMHGLYSKMLBLT-DLBZAZTESA-N 1 3 359.539 3.636 20 0 FHADHO CCc1csc([C@H]2CCC[N@@H+](C[C@@H](CN)c3ccc(OC)cc3)C2)n1 ZINC000420323065 942608555 /nfs/dbraw/zinc/60/85/55/942608555.db2.gz TVMHGLYSKMLBLT-DLBZAZTESA-N 1 3 359.539 3.636 20 0 FHADHO COc1ccc([C@@H](C[NH3+])CNC2(c3ccc(Cl)cc3)CCOCC2)cc1 ZINC000420309078 942615224 /nfs/dbraw/zinc/61/52/24/942615224.db2.gz SXENNSFPFQXPFL-KRWDZBQOSA-N 1 3 374.912 3.686 20 0 FHADHO COc1ccc([C@@H](CN)C[NH2+]C2(c3ccc(Cl)cc3)CCOCC2)cc1 ZINC000420309078 942615231 /nfs/dbraw/zinc/61/52/31/942615231.db2.gz SXENNSFPFQXPFL-KRWDZBQOSA-N 1 3 374.912 3.686 20 0 FHADHO CCCN(CC[C@H]1CC[NH2+]C1)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000420317113 942619029 /nfs/dbraw/zinc/61/90/29/942619029.db2.gz NESPUDWVPAQEFJ-CYBMUJFWSA-N 1 3 358.313 3.644 20 0 FHADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@H]2c2cccc(N(C)C)c2)cc1 ZINC000420328216 942630354 /nfs/dbraw/zinc/63/03/54/942630354.db2.gz ZQGHMLSORAMYLT-KNQAVFIVSA-N 1 3 353.510 3.641 20 0 FHADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@H]2c2cccc(N(C)C)c2)cc1 ZINC000420328216 942630358 /nfs/dbraw/zinc/63/03/58/942630358.db2.gz ZQGHMLSORAMYLT-KNQAVFIVSA-N 1 3 353.510 3.641 20 0 FHADHO CC[C@H]1CN(CCC(=O)Nc2ccccc2-c2ccccc2)CC[C@@H]1[NH3+] ZINC000647939043 942643691 /nfs/dbraw/zinc/64/36/91/942643691.db2.gz ZOXLGAXLFUIPRV-PXNSSMCTSA-N 1 3 351.494 3.741 20 0 FHADHO O=C(CCN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)Nc1cccc2ccccc21 ZINC000647901938 942665185 /nfs/dbraw/zinc/66/51/85/942665185.db2.gz XQSGQFNUNRJVHP-QUCCMNQESA-N 1 3 351.494 3.632 20 0 FHADHO COc1ccc([C@@H](C)[NH2+]CCCn2ccnc2)cc1CN1CCCCC1 ZINC000182186642 942687611 /nfs/dbraw/zinc/68/76/11/942687611.db2.gz AAXAIDREKQLLNU-GOSISDBHSA-N 1 3 356.514 3.619 20 0 FHADHO CC(C)CCn1cccc1C[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000414549340 942779824 /nfs/dbraw/zinc/77/98/24/942779824.db2.gz LBBRWEZXIPTJTR-UHFFFAOYSA-N 1 3 369.553 3.651 20 0 FHADHO CCCC[N@H+](CC)Cc1cccc(CNC(=O)N(CC)[C@H]2CCN(C)C2)c1 ZINC000664428647 942780176 /nfs/dbraw/zinc/78/01/76/942780176.db2.gz NZCNXUQTQNBYQO-NRFANRHFSA-N 1 3 374.573 3.544 20 0 FHADHO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N(CC)[C@H]2CCN(C)C2)c1 ZINC000664428647 942780183 /nfs/dbraw/zinc/78/01/83/942780183.db2.gz NZCNXUQTQNBYQO-NRFANRHFSA-N 1 3 374.573 3.544 20 0 FHADHO C[C@@H]1C[C@H](C[NH3+])CN1Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000414655594 943111254 /nfs/dbraw/zinc/11/12/54/943111254.db2.gz DIBXEDFIUQTNRA-UYAOXDASSA-N 1 3 360.505 3.768 20 0 FHADHO [NH3+]C[C@H]1CCN(Cc2ccc(-c3ccccc3Br)s2)C1 ZINC000414654368 943113156 /nfs/dbraw/zinc/11/31/56/943113156.db2.gz JBQAVMDHADOSOH-GFCCVEGCSA-N 1 3 351.313 3.958 20 0 FHADHO C[C@@H](N[C@@H](C)c1cccc(N2CCOCC2)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272665731 943196792 /nfs/dbraw/zinc/19/67/92/943196792.db2.gz IVPWQFADJDKAFI-ZVDOUQERSA-N 1 3 371.569 3.827 20 0 FHADHO C[C@@H](N[C@@H](C)c1cccc(N2CCOCC2)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000272665731 943196795 /nfs/dbraw/zinc/19/67/95/943196795.db2.gz IVPWQFADJDKAFI-ZVDOUQERSA-N 1 3 371.569 3.827 20 0 FHADHO C[C@H](N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1cccc(N2CCOCC2)c1 ZINC000272665727 943197006 /nfs/dbraw/zinc/19/70/06/943197006.db2.gz IVPWQFADJDKAFI-ZJOUEHCJSA-N 1 3 371.569 3.827 20 0 FHADHO C[C@H](N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1cccc(N2CCOCC2)c1 ZINC000272665727 943197014 /nfs/dbraw/zinc/19/70/14/943197014.db2.gz IVPWQFADJDKAFI-ZJOUEHCJSA-N 1 3 371.569 3.827 20 0 FHADHO N[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ccc(Br)cc3)C2)c2ccccc21 ZINC000422703267 943239674 /nfs/dbraw/zinc/23/96/74/943239674.db2.gz HJEDYBVFNSHBSN-ZMYBRWDISA-N 1 3 372.310 3.762 20 0 FHADHO COCCSc1ccc([C@H](C)N[C@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000422712933 943245082 /nfs/dbraw/zinc/24/50/82/943245082.db2.gz IYQRRXUJALTBEB-LSDHHAIUSA-N 1 3 359.539 3.999 20 0 FHADHO CCOc1ccccc1Oc1ccc(CN[C@H]2CCCC[C@@H]2C[NH3+])cn1 ZINC000422690784 943245893 /nfs/dbraw/zinc/24/58/93/943245893.db2.gz GWRVWJOIEQFWKC-MSOLQXFVSA-N 1 3 355.482 3.880 20 0 FHADHO NC[C@H]1CCC[C@@H]1[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000422734751 943251641 /nfs/dbraw/zinc/25/16/41/943251641.db2.gz TXNNTEPMGWNATK-KDOFPFPSSA-N 1 3 356.341 3.675 20 0 FHADHO CC(C)CC(=O)Nc1cccc(C[NH2+][C@H](Cc2ccccc2)[C@H](C)N)c1 ZINC000422724018 943258816 /nfs/dbraw/zinc/25/88/16/943258816.db2.gz UBHXOGMFEZEIFM-LAUBAEHRSA-N 1 3 353.510 3.719 20 0 FHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC1(c2cccc(Cl)c2)CCOCC1 ZINC000422757110 943273569 /nfs/dbraw/zinc/27/35/69/943273569.db2.gz JLWOIEZRJGPKCU-OAHLLOKOSA-N 1 3 373.928 3.901 20 0 FHADHO COc1cccc([C@H](CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)N2CCCC2)c1 ZINC000422755471 943273694 /nfs/dbraw/zinc/27/36/94/943273694.db2.gz HYQFOJZAWSAELO-ACESQOTJSA-N 1 3 371.569 3.733 20 0 FHADHO CCOC(=O)C1([C@H](C)N[C@H](C)c2cccc(Cl)c2Cl)CC[NH2+]CC1 ZINC000422754884 943273768 /nfs/dbraw/zinc/27/37/68/943273768.db2.gz GGTODWGUWMMZIE-OLZOCXBDSA-N 1 3 373.324 3.965 20 0 FHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H](C)COc1ccccc1C(F)(F)F ZINC000422769605 943276766 /nfs/dbraw/zinc/27/67/66/943276766.db2.gz VRQRTRKSRHRLAE-STQMWFEESA-N 1 3 367.415 3.986 20 0 FHADHO COc1ccc2c(c1)CCC[C@@H]2N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422776045 943278186 /nfs/dbraw/zinc/27/81/86/943278186.db2.gz BZBIZHJOZSCLME-XJUOHMSHSA-N 1 3 364.489 3.918 20 0 FHADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1ccccc1COc1ccccc1Cl ZINC000422775706 943279397 /nfs/dbraw/zinc/27/93/97/943279397.db2.gz BIJITLSDLSZPDZ-QKYXUNIQSA-N 1 3 374.912 3.761 20 0 FHADHO c1ccc2c(c1)cccc2CSCCN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422765031 943284874 /nfs/dbraw/zinc/28/48/74/943284874.db2.gz PYLKVNXOBHBVGN-BHIFYINESA-N 1 3 370.562 3.820 20 0 FHADHO CCN(CC)[C@H](CN[C@@H]1C[C@@H]([NH3+])c2ccccc21)c1cccc(OC)c1 ZINC000422797156 943286280 /nfs/dbraw/zinc/28/62/80/943286280.db2.gz LEPZGNRPKQKWLY-YPAWHYETSA-N 1 3 353.510 3.813 20 0 FHADHO C[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)Oc1ccc(Br)cc1 ZINC000422797829 943287146 /nfs/dbraw/zinc/28/71/46/943287146.db2.gz OQVHCTPFNYLZKU-BVPBIZIASA-N 1 3 367.331 3.727 20 0 FHADHO Fc1cccc(F)c1C1(CN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)CCCC1 ZINC000422847538 943304220 /nfs/dbraw/zinc/30/42/20/943304220.db2.gz RQURBKIPQTVVHD-AYOQOUSVSA-N 1 3 364.480 3.523 20 0 FHADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000422850931 943305905 /nfs/dbraw/zinc/30/59/05/943305905.db2.gz WIPKCGCMAWYPKC-FXAWDEMLSA-N 1 3 355.457 3.685 20 0 FHADHO CCCCOc1ccc(CN[C@@H](C)c2ccc(C[NH3+])nc2C)cc1OC ZINC000422868282 943311005 /nfs/dbraw/zinc/31/10/05/943311005.db2.gz UUDVPUNREYKXIS-HNNXBMFYSA-N 1 3 357.498 3.887 20 0 FHADHO Cc1cc(C)n(-c2ccc(CN[C@H]3CCC[C@@H]3C[NH3+])c(C(F)(F)F)c2)n1 ZINC000422897992 943323898 /nfs/dbraw/zinc/32/38/98/943323898.db2.gz DEHDQLFRZWJRJU-KDOFPFPSSA-N 1 3 366.431 3.725 20 0 FHADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCc1nc2ccccc2n1C(F)F ZINC000422911198 943328619 /nfs/dbraw/zinc/32/86/19/943328619.db2.gz KHCBYRLWSMJXFO-GJZGRUSLSA-N 1 3 350.457 3.874 20 0 FHADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC000422894384 943331497 /nfs/dbraw/zinc/33/14/97/943331497.db2.gz TVJJXKCQICGWAR-YLJYHZDGSA-N 1 3 355.457 3.685 20 0 FHADHO CO[C@H](CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1cccc(Cl)c1 ZINC000422922756 943332758 /nfs/dbraw/zinc/33/27/58/943332758.db2.gz UGUOLKZMIRAIDE-NRSPTQNISA-N 1 3 372.896 3.873 20 0 FHADHO Clc1cccc(OCCN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422935750 943337595 /nfs/dbraw/zinc/33/75/95/943337595.db2.gz DNGYXISCDZPICL-QUCCMNQESA-N 1 3 358.869 3.564 20 0 FHADHO Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000422964193 943342730 /nfs/dbraw/zinc/34/27/30/943342730.db2.gz KPPFVTAIKXARLL-QGZVFWFLSA-N 1 3 363.509 3.626 20 0 FHADHO Clc1ccccc1OCCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423003651 943362165 /nfs/dbraw/zinc/36/21/65/943362165.db2.gz MRNPWPZYUXFHCE-YLJYHZDGSA-N 1 3 358.869 3.564 20 0 FHADHO Clc1ccccc1OCCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423003650 943362394 /nfs/dbraw/zinc/36/23/94/943362394.db2.gz MRNPWPZYUXFHCE-XLIONFOSSA-N 1 3 358.869 3.564 20 0 FHADHO Cc1ccc([C@H](Cn2ccnc2)N[C@@H](C)c2ccc(C[NH3+])nc2C)c(C)c1 ZINC000423008284 943363527 /nfs/dbraw/zinc/36/35/27/943363527.db2.gz ZRLLTYBFUROGNK-AVRDEDQJSA-N 1 3 363.509 3.754 20 0 FHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000423022516 943367882 /nfs/dbraw/zinc/36/78/82/943367882.db2.gz HYJNUSGNQZVXIW-ZFWWWQNUSA-N 1 3 362.880 3.571 20 0 FHADHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3cccc(NC(=O)c4ccc(Cl)cc4)c3)C[C@H]12 ZINC000435381698 943369573 /nfs/dbraw/zinc/36/95/73/943369573.db2.gz VITGFUUEAUXWGD-LSTHTHJFSA-N 1 3 369.896 3.761 20 0 FHADHO C[C@H](NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1)[C@@H]1CCCC[NH2+]1 ZINC000423022895 943369722 /nfs/dbraw/zinc/36/97/22/943369722.db2.gz IMYLTRKAPRGFRW-BMIPRAEKSA-N 1 3 353.913 3.592 20 0 FHADHO C[C@H]([NH2+]C[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1)[C@@H]1CCCCN1 ZINC000423022895 943369728 /nfs/dbraw/zinc/36/97/28/943369728.db2.gz IMYLTRKAPRGFRW-BMIPRAEKSA-N 1 3 353.913 3.592 20 0 FHADHO N[C@H]1C[C@@H]([NH2+]CCCc2nc(-c3ccc(F)cc3)no2)c2ccccc21 ZINC000423028598 943370904 /nfs/dbraw/zinc/37/09/04/943370904.db2.gz GWHNBBMXYDNSAV-ZWKOTPCHSA-N 1 3 352.413 3.543 20 0 FHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000423038892 943373895 /nfs/dbraw/zinc/37/38/95/943373895.db2.gz DJPIURZEBIVLGD-ZFWWWQNUSA-N 1 3 362.880 3.571 20 0 FHADHO CC(C)Oc1ccc([C@H](CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)N(C)C)cc1 ZINC000423122569 943397017 /nfs/dbraw/zinc/39/70/17/943397017.db2.gz KAIPUXBCPBOAKT-CBPXPLCBSA-N 1 3 359.558 3.587 20 0 FHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C/C=C\c1ccc(Br)cc1 ZINC000423153495 943410739 /nfs/dbraw/zinc/41/07/39/943410739.db2.gz GTGGXFWURCXKMR-DHCBQETCSA-N 1 3 360.299 3.975 20 0 FHADHO C[C@H](NCC1(c2ccccc2Br)CCCCC1)C1C[NH2+]C1 ZINC000423155131 943411654 /nfs/dbraw/zinc/41/16/54/943411654.db2.gz QDTFQVUWOSKRGZ-AWEZNQCLSA-N 1 3 351.332 3.849 20 0 FHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCOc1ccc(Cl)c(Cl)c1 ZINC000423156289 943412395 /nfs/dbraw/zinc/41/23/95/943412395.db2.gz KZBTZWAMYWPWSE-LLVKDONJSA-N 1 3 354.281 3.885 20 0 FHADHO C[C@@H](NCCC[NH2+]Cc1cccnc1)c1ccc(OC(F)(F)F)cc1 ZINC000423183342 943419290 /nfs/dbraw/zinc/41/92/90/943419290.db2.gz GKUMSSMBJZIMPL-CQSZACIVSA-N 1 3 353.388 3.811 20 0 FHADHO COC(=O)c1ccc(-c2ccc(C[N@H+](C)C3C[C@H]4CC[C@@H](C3)N4C)o2)cc1 ZINC000514972894 943425321 /nfs/dbraw/zinc/42/53/21/943425321.db2.gz NLVWTMLBINTFEG-DFNIBXOVSA-N 1 3 368.477 3.790 20 0 FHADHO COC(=O)c1ccc(-c2ccc(C[N@@H+](C)C3C[C@H]4CC[C@@H](C3)N4C)o2)cc1 ZINC000514972894 943425324 /nfs/dbraw/zinc/42/53/24/943425324.db2.gz NLVWTMLBINTFEG-DFNIBXOVSA-N 1 3 368.477 3.790 20 0 FHADHO Brc1cccc([C@H](NC[C@@H]2CCC[NH2+]C2)C2CCOCC2)c1 ZINC000423206079 943430779 /nfs/dbraw/zinc/43/07/79/943430779.db2.gz FSPTVABHYKBLJU-RDTXWAMCSA-N 1 3 367.331 3.506 20 0 FHADHO Cc1c([C@H](C)[NH2+][C@H](CN)C2CC2)cnn1-c1ccc(Cl)cc1Cl ZINC000423284855 943463926 /nfs/dbraw/zinc/46/39/26/943463926.db2.gz XGYYYAYXNWIIDT-MGPLVRAMSA-N 1 3 353.297 3.875 20 0 FHADHO Fc1ccc([C@@H]2CCNC[C@@H]2C[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000423471473 943524899 /nfs/dbraw/zinc/52/48/99/943524899.db2.gz MCXYUSKGBJOSHQ-UWRIJYQHSA-N 1 3 360.517 3.704 20 0 FHADHO COc1cc(NC(C)=O)ccc1[C@@H](C)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000423500197 943530488 /nfs/dbraw/zinc/53/04/88/943530488.db2.gz KELFIYJRZBFJBY-QRWLVFNGSA-N 1 3 355.482 3.784 20 0 FHADHO C[C@H]1CCSCCN1Cc1cncc(C[N@@H+]2CCSCC[C@@H]2C)c1 ZINC000584761157 943547606 /nfs/dbraw/zinc/54/76/06/943547606.db2.gz HJUFUDQIOHLHAI-IRXDYDNUSA-N 1 3 365.612 3.736 20 0 FHADHO C[C@H]1CCSCCN1Cc1cncc(C[N@H+]2CCSCC[C@@H]2C)c1 ZINC000584761157 943547611 /nfs/dbraw/zinc/54/76/11/943547611.db2.gz HJUFUDQIOHLHAI-IRXDYDNUSA-N 1 3 365.612 3.736 20 0 FHADHO C[C@@H](NCC1([NH3+])CCN(Cc2ccccc2)CC1)c1ccccc1Cl ZINC000423572193 943560121 /nfs/dbraw/zinc/56/01/21/943560121.db2.gz ODRKZRGWXNPRRD-QGZVFWFLSA-N 1 3 357.929 3.984 20 0 FHADHO CC(C)(C)c1nn(-c2ccccc2)cc1CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414775046 943744449 /nfs/dbraw/zinc/74/44/49/943744449.db2.gz ZDHAXWCRUWWYEM-HDICACEKSA-N 1 3 352.526 3.601 20 0 FHADHO Cc1ccc(-c2ncc(CN3CCC([C@H]4C[C@@H]([NH3+])CCO4)CC3)s2)cc1 ZINC000515373798 943819019 /nfs/dbraw/zinc/81/90/19/943819019.db2.gz VLBNIBDNNGFESP-AZUAARDMSA-N 1 3 371.550 3.837 20 0 FHADHO COc1cccc(-c2nc(CN3CC4(C[C@@H]3C)CC[NH2+]CC4)cs2)c1 ZINC000424301919 943851489 /nfs/dbraw/zinc/85/14/89/943851489.db2.gz YIBPAYSPRIJIKQ-HNNXBMFYSA-N 1 3 357.523 3.783 20 0 FHADHO Cc1ccncc1CCC[NH+]1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000516962707 943868546 /nfs/dbraw/zinc/86/85/46/943868546.db2.gz DWENKFTYTTYGJV-PMACEKPBSA-N 1 3 359.558 3.534 20 0 FHADHO CCOCCC[N@@H+]1CC[C@@H](NCCSc2ccc(F)cc2F)[C@H](C)C1 ZINC000660305042 943932519 /nfs/dbraw/zinc/93/25/19/943932519.db2.gz JQRRMIPWKZYDQZ-CRAIPNDOSA-N 1 3 372.525 3.784 20 0 FHADHO CCOCCC[N@H+]1CC[C@@H](NCCSc2ccc(F)cc2F)[C@H](C)C1 ZINC000660305042 943932522 /nfs/dbraw/zinc/93/25/22/943932522.db2.gz JQRRMIPWKZYDQZ-CRAIPNDOSA-N 1 3 372.525 3.784 20 0 FHADHO [NH3+][C@@H]1CCO[C@H](C2CCN(Cc3cnc(-c4ccsc4)s3)CC2)C1 ZINC000515517167 943948998 /nfs/dbraw/zinc/94/89/98/943948998.db2.gz LQFKZDGAQLGDPU-WBVHZDCISA-N 1 3 363.552 3.590 20 0 FHADHO COc1ccc(C(=O)Nc2cccc(CN[C@@H]3CCCC[C@H]3C[NH3+])c2)cc1 ZINC000414809082 944077363 /nfs/dbraw/zinc/07/73/63/944077363.db2.gz TXQJSRUPXFDJJX-GHTZIAJQSA-N 1 3 367.493 3.555 20 0 FHADHO CC(C)N1CCN(CCC[N@H+](CCc2ccccc2)C2CCCC2)CC1 ZINC000500089982 944077520 /nfs/dbraw/zinc/07/75/20/944077520.db2.gz JESPQSMWKXJXEZ-UHFFFAOYSA-N 1 3 357.586 3.890 20 0 FHADHO CC(C)N1CCN(CCC[N@@H+](CCc2ccccc2)C2CCCC2)CC1 ZINC000500089982 944077528 /nfs/dbraw/zinc/07/75/28/944077528.db2.gz JESPQSMWKXJXEZ-UHFFFAOYSA-N 1 3 357.586 3.890 20 0 FHADHO Cc1ccccc1O[C@@H]1CCCC[C@H]1NCc1cc(C2CC[NH2+]CC2)no1 ZINC000425898558 944118003 /nfs/dbraw/zinc/11/80/03/944118003.db2.gz ZHQQULOPONCKAU-DENIHFKCSA-N 1 3 369.509 3.930 20 0 FHADHO Cc1cc(Br)cn2c(CNCc3ccc([C@H](C)[NH3+])cc3)cnc12 ZINC000414814437 944118391 /nfs/dbraw/zinc/11/83/91/944118391.db2.gz VOUZZZHZTMFLKU-ZDUSSCGKSA-N 1 3 373.298 3.715 20 0 FHADHO Fc1cccc2[nH]c(C[NH2+]C[C@@H]3CCN(CCc4ccccc4)C3)cc21 ZINC000436239120 944126097 /nfs/dbraw/zinc/12/60/97/944126097.db2.gz LGNOASXITKWBCY-SFHVURJKSA-N 1 3 351.469 3.961 20 0 FHADHO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CCCN1C1CCCCC1 ZINC000436293342 944178925 /nfs/dbraw/zinc/17/89/25/944178925.db2.gz MJZYSIOUEZIURE-OIBXWCBGSA-N 1 3 370.585 3.679 20 0 FHADHO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1CCCN1C1CCCCC1 ZINC000436293357 944179182 /nfs/dbraw/zinc/17/91/82/944179182.db2.gz MJZYSIOUEZIURE-WTIAFYNJSA-N 1 3 370.585 3.679 20 0 FHADHO C[C@H](COc1ccc2cc(Br)ccc2c1)[NH2+]C[C@@H](N)C1CC1 ZINC000414882034 944222023 /nfs/dbraw/zinc/22/20/23/944222023.db2.gz BJIYYFRKBLVDJS-KZULUSFZSA-N 1 3 363.299 3.697 20 0 FHADHO C[C@@]1(CNCc2ccc(-n3ccnc3)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000312686327 944417605 /nfs/dbraw/zinc/41/76/05/944417605.db2.gz PWJLKTMOCHZKQG-QHCPKHFHSA-N 1 3 360.505 3.874 20 0 FHADHO C[C@@]1(CNCc2ccc(-n3ccnc3)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000312686327 944417613 /nfs/dbraw/zinc/41/76/13/944417613.db2.gz PWJLKTMOCHZKQG-QHCPKHFHSA-N 1 3 360.505 3.874 20 0 FHADHO C[C@]1(CNCc2ccc(-n3ccnc3)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000312686326 944417884 /nfs/dbraw/zinc/41/78/84/944417884.db2.gz PWJLKTMOCHZKQG-HSZRJFAPSA-N 1 3 360.505 3.874 20 0 FHADHO C[C@]1(CNCc2ccc(-n3ccnc3)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000312686326 944417891 /nfs/dbraw/zinc/41/78/91/944417891.db2.gz PWJLKTMOCHZKQG-HSZRJFAPSA-N 1 3 360.505 3.874 20 0 FHADHO C/C(=C/c1ccccc1OC(F)F)CN1CCC(OCC[NH+](C)C)CC1 ZINC000518629544 944544593 /nfs/dbraw/zinc/54/45/93/944544593.db2.gz KUABYZSKZZQLBE-PEZBUJJGSA-N 1 3 368.468 3.734 20 0 FHADHO COc1ccc([C@@H](C)[NH2+]CCCOC(F)F)cc1CN1CCCCC1 ZINC000194030619 944594948 /nfs/dbraw/zinc/59/49/48/944594948.db2.gz ZMIVTAMSXYJZNS-OAHLLOKOSA-N 1 3 356.457 3.961 20 0 FHADHO c1ccc(CNC[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)cc1 ZINC000550270472 944649104 /nfs/dbraw/zinc/64/91/04/944649104.db2.gz RNRWPVQUQMQFDM-QFIPXVFZSA-N 1 3 350.506 3.705 20 0 FHADHO c1ccc(CNC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cc1 ZINC000550270472 944649115 /nfs/dbraw/zinc/64/91/15/944649115.db2.gz RNRWPVQUQMQFDM-QFIPXVFZSA-N 1 3 350.506 3.705 20 0 FHADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc(CN2CCCC2)c1 ZINC000439678672 944862081 /nfs/dbraw/zinc/86/20/81/944862081.db2.gz CYLZZBBCNGZRNM-OAQYLSRUSA-N 1 3 357.542 3.523 20 0 FHADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cccc(CN2CCCC2)c1 ZINC000439678672 944862089 /nfs/dbraw/zinc/86/20/89/944862089.db2.gz CYLZZBBCNGZRNM-OAQYLSRUSA-N 1 3 357.542 3.523 20 0 FHADHO CCC1(C)CCN([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000507178956 945010128 /nfs/dbraw/zinc/01/01/28/945010128.db2.gz GEFKKLOYOQOYKZ-LJQANCHMSA-N 1 3 371.569 3.668 20 0 FHADHO O=C(CC[NH+]1CCC(NCc2ccccc2)CC1)Nc1ccc(Cl)cc1 ZINC000660674801 945383422 /nfs/dbraw/zinc/38/34/22/945383422.db2.gz JPSLGQMZYWYYSO-UHFFFAOYSA-N 1 3 371.912 3.923 20 0 FHADHO OC[C@H]1CCC[N@@H+]1Cc1ccccc1CN[C@@H](c1cccnc1)C1CCC1 ZINC000280975163 945485076 /nfs/dbraw/zinc/48/50/76/945485076.db2.gz VSOGLVGYMXMPMJ-DHIUTWEWSA-N 1 3 365.521 3.669 20 0 FHADHO OC[C@H]1CCC[N@H+]1Cc1ccccc1CN[C@@H](c1cccnc1)C1CCC1 ZINC000280975163 945485081 /nfs/dbraw/zinc/48/50/81/945485081.db2.gz VSOGLVGYMXMPMJ-DHIUTWEWSA-N 1 3 365.521 3.669 20 0 FHADHO CCN1CCN(C[C@@H](C)C[NH2+][C@H](C)c2ccc(-c3ccccc3)cn2)CC1 ZINC000651705293 945727372 /nfs/dbraw/zinc/72/73/72/945727372.db2.gz NZLXYJQEOFUAAL-VQTJNVASSA-N 1 3 366.553 3.673 20 0 FHADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C[C@H]2NCc3ccccc32)CC1 ZINC000662825199 946075065 /nfs/dbraw/zinc/07/50/65/946075065.db2.gz FJCBFQKSRBRKSG-PGRDOPGGSA-N 1 3 369.553 3.724 20 0 FHADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)C[C@H]2NCc3ccccc32)CC1 ZINC000662825199 946075072 /nfs/dbraw/zinc/07/50/72/946075072.db2.gz FJCBFQKSRBRKSG-PGRDOPGGSA-N 1 3 369.553 3.724 20 0 FHADHO CN1CCN(CC[NH2+]Cc2ccc(F)c(-c3cccs3)c2)CC1(C)C ZINC000441337611 946444024 /nfs/dbraw/zinc/44/40/24/946444024.db2.gz RAGHJSPZCIIPFP-UHFFFAOYSA-N 1 3 361.530 3.670 20 0 FHADHO C[C@H](OC[C@H](O)C[N@H+](C)CC[C@@H]1CCCCN1C)c1ccc(Cl)cc1 ZINC000441363688 946509760 /nfs/dbraw/zinc/50/97/60/946509760.db2.gz KBPDXUVWWCEBHP-FFZOFVMBSA-N 1 3 368.949 3.585 20 0 FHADHO C[C@H](OC[C@H](O)C[N@@H+](C)CC[C@@H]1CCCCN1C)c1ccc(Cl)cc1 ZINC000441363688 946509766 /nfs/dbraw/zinc/50/97/66/946509766.db2.gz KBPDXUVWWCEBHP-FFZOFVMBSA-N 1 3 368.949 3.585 20 0 FHADHO Cc1ccccc1-n1nccc1C[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475276744 946795883 /nfs/dbraw/zinc/79/58/83/946795883.db2.gz BQHVMISVIUOMOP-NRFANRHFSA-N 1 3 360.505 3.792 20 0 FHADHO Clc1ccc2ncc(C[NH2+]C[C@H]3CCN(Cc4ccccc4)C3)n2c1 ZINC000475280315 946800646 /nfs/dbraw/zinc/80/06/46/946800646.db2.gz PUFWVILDMZQNFB-QGZVFWFLSA-N 1 3 354.885 3.599 20 0 FHADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(CCOc3ccc(Cl)cc3Cl)C2)C1 ZINC000652346314 946871688 /nfs/dbraw/zinc/87/16/88/946871688.db2.gz YMKTYVRSSYYZGI-JOQOYGCGSA-N 1 3 373.324 3.591 20 0 FHADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(CCOc3ccc(Cl)cc3Cl)C2)C1 ZINC000652346313 946871862 /nfs/dbraw/zinc/87/18/62/946871862.db2.gz YMKTYVRSSYYZGI-JCKWVBRZSA-N 1 3 373.324 3.591 20 0 FHADHO C[C@@H]1C[C@@H](N2CC[C@@]3(C2)CC(F)(F)CO3)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168062126 946950868 /nfs/dbraw/zinc/95/08/68/946950868.db2.gz JCINGIRNVRELJD-HNJRGHQBSA-N 1 3 364.480 3.928 20 0 FHADHO C[C@@H]1C[C@@H](N2CC[C@@]3(C2)CC(F)(F)CO3)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168062126 946950872 /nfs/dbraw/zinc/95/08/72/946950872.db2.gz JCINGIRNVRELJD-HNJRGHQBSA-N 1 3 364.480 3.928 20 0 FHADHO Cc1ccc(-c2noc(CCC[N@@H+](C)CC[C@H]3CCCCN3C)n2)cc1F ZINC000475363590 946955677 /nfs/dbraw/zinc/95/56/77/946955677.db2.gz WNFDWPHCILRSIS-GOSISDBHSA-N 1 3 374.504 3.923 20 0 FHADHO Cc1ccc(-c2noc(CCC[N@H+](C)CC[C@H]3CCCCN3C)n2)cc1F ZINC000475363590 946955684 /nfs/dbraw/zinc/95/56/84/946955684.db2.gz WNFDWPHCILRSIS-GOSISDBHSA-N 1 3 374.504 3.923 20 0 FHADHO COC(=O)C[C@@H]1CCCN([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168065425 947128275 /nfs/dbraw/zinc/12/82/75/947128275.db2.gz VROWRKWIJLJBQG-YHELAOLJSA-N 1 3 358.526 3.703 20 0 FHADHO COC(=O)C[C@@H]1CCCN([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168065425 947128285 /nfs/dbraw/zinc/12/82/85/947128285.db2.gz VROWRKWIJLJBQG-YHELAOLJSA-N 1 3 358.526 3.703 20 0 FHADHO C[NH+](C)Cc1ccc(NC(=O)C(C[C@@H]2CCCO2)C(F)(F)F)c(F)c1 ZINC000652440579 947136552 /nfs/dbraw/zinc/13/65/52/947136552.db2.gz HHRACSZXHJTVMY-QWHCGFSZSA-N 1 3 362.367 3.573 20 0 FHADHO CCOc1cc2nccc(N3CC[C@@H]([NH+]4CCCC4)C3)c2cc1OCC ZINC000301262313 947257332 /nfs/dbraw/zinc/25/73/32/947257332.db2.gz VLIIPZDOVDWVAZ-MRXNPFEDSA-N 1 3 355.482 3.707 20 0 FHADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1OC(F)F ZINC000247072897 947260916 /nfs/dbraw/zinc/26/09/16/947260916.db2.gz QHNLTEFHUFVQJA-QLFBSQMISA-N 1 3 374.447 3.967 20 0 FHADHO Cc1cc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)ccc1C1CC1 ZINC000444897743 947320027 /nfs/dbraw/zinc/32/00/27/947320027.db2.gz FTXOHRRGZYHCHH-UHFFFAOYSA-N 1 3 370.541 3.553 20 0 FHADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc(CN2CCCC2)c1 ZINC000523829243 947646558 /nfs/dbraw/zinc/64/65/58/947646558.db2.gz WPTTXKHNVCHSSZ-NRFANRHFSA-N 1 3 357.542 3.667 20 0 FHADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1cccc(CN2CCCC2)c1 ZINC000523829243 947646562 /nfs/dbraw/zinc/64/65/62/947646562.db2.gz WPTTXKHNVCHSSZ-NRFANRHFSA-N 1 3 357.542 3.667 20 0 FHADHO Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662264587 947684341 /nfs/dbraw/zinc/68/43/41/947684341.db2.gz RIJUZZLELLXYAY-WBVHZDCISA-N 1 3 357.523 3.632 20 0 FHADHO COc1ccc(-c2cc(CN3CCC([C@@H]4CCC[NH2+]C4)CC3)on2)cc1 ZINC000662293745 947716150 /nfs/dbraw/zinc/71/61/50/947716150.db2.gz MZSLRIUQYVRSRA-GOSISDBHSA-N 1 3 355.482 3.562 20 0 FHADHO COc1ccc(-c2noc([C@H](C)N3CCC[C@@H](C4CC[NH2+]CC4)C3)n2)cc1 ZINC000662294080 947716399 /nfs/dbraw/zinc/71/63/99/947716399.db2.gz OWGMXOVWCGXXFH-MAUKXSAKSA-N 1 3 370.497 3.518 20 0 FHADHO Cc1nc2ccccc2n1CCCCCN1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662321762 947749035 /nfs/dbraw/zinc/74/90/35/947749035.db2.gz DAWPYLODMHIMJM-HXUWFJFHSA-N 1 3 372.557 3.558 20 0 FHADHO CN(C(=O)CCNC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccccc1 ZINC000663360432 947849975 /nfs/dbraw/zinc/84/99/75/947849975.db2.gz WNFTXPDZRXBIMX-UWJYYQICSA-N 1 3 371.550 3.774 20 0 FHADHO CN(C(=O)CCNC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccccc1 ZINC000663360432 947849982 /nfs/dbraw/zinc/84/99/82/947849982.db2.gz WNFTXPDZRXBIMX-UWJYYQICSA-N 1 3 371.550 3.774 20 0 FHADHO C[C@@H](CC(=O)Nc1cccc(Cl)c1)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663469275 948059533 /nfs/dbraw/zinc/05/95/33/948059533.db2.gz PMCAOHIRVSFWFP-DOTOQJQBSA-N 1 3 363.933 3.769 20 0 FHADHO C[C@@H](CC(=O)Nc1cccc(Cl)c1)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663469275 948059539 /nfs/dbraw/zinc/05/95/39/948059539.db2.gz PMCAOHIRVSFWFP-DOTOQJQBSA-N 1 3 363.933 3.769 20 0 FHADHO C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663469275 948059544 /nfs/dbraw/zinc/05/95/44/948059544.db2.gz PMCAOHIRVSFWFP-DOTOQJQBSA-N 1 3 363.933 3.769 20 0 FHADHO Cc1nccn1-c1ccc([C@@H](C)NC[C@@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000663469866 948064634 /nfs/dbraw/zinc/06/46/34/948064634.db2.gz RGKCXVAMOGKZIR-XLIONFOSSA-N 1 3 352.526 3.953 20 0 FHADHO Cc1nccn1-c1ccc([C@@H](C)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663469866 948064638 /nfs/dbraw/zinc/06/46/38/948064638.db2.gz RGKCXVAMOGKZIR-XLIONFOSSA-N 1 3 352.526 3.953 20 0 FHADHO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@H]1CCCN(CC2CC2)C1)CC3 ZINC000663470623 948066586 /nfs/dbraw/zinc/06/65/86/948066586.db2.gz VQNXCQRDRBSEKJ-QZTJIDSGSA-N 1 3 367.537 3.745 20 0 FHADHO CC[NH+](CC)CCC[C@@H](C)N1CCN(c2nc3ccccc3s2)CC1 ZINC001167827522 948151302 /nfs/dbraw/zinc/15/13/02/948151302.db2.gz XERXXRJULFOCIC-QGZVFWFLSA-N 1 3 360.571 3.929 20 0 FHADHO CCn1c2ccccc2nc1N1CCN([C@H](C)CCC[NH+](CC)CC)CC1 ZINC001167835283 948288528 /nfs/dbraw/zinc/28/85/28/948288528.db2.gz QUBXLMHOTQFZNG-LJQANCHMSA-N 1 3 371.573 3.689 20 0 FHADHO FC(F)(F)c1cnc2c(c1)[C@@H]([NH2+]C1CCN(CC3CC3)CC1)CCC2 ZINC000427601738 948360242 /nfs/dbraw/zinc/36/02/42/948360242.db2.gz BNSWHGZRBCAMQU-SFHVURJKSA-N 1 3 353.432 3.942 20 0 FHADHO CC[C@@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(Br)cc1 ZINC000432414214 948367513 /nfs/dbraw/zinc/36/75/13/948367513.db2.gz JWBSKYANUOGHCC-CRAIPNDOSA-N 1 3 369.347 3.991 20 0 FHADHO CC[C@@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1ccc(Br)cc1 ZINC000432414214 948367520 /nfs/dbraw/zinc/36/75/20/948367520.db2.gz JWBSKYANUOGHCC-CRAIPNDOSA-N 1 3 369.347 3.991 20 0 FHADHO CC[NH+](CC)CCC[C@H](C)N1CCN(Cc2c(F)cccc2F)CC1 ZINC001167841938 948370559 /nfs/dbraw/zinc/37/05/59/948370559.db2.gz VDEXIXOJIPCXNG-KRWDZBQOSA-N 1 3 353.501 3.593 20 0 FHADHO C[C@@H]1CC([NH2+][C@H](CO)c2ccc(F)cc2)C[C@@H](C)N1Cc1ccccc1 ZINC001168004830 948410541 /nfs/dbraw/zinc/41/05/41/948410541.db2.gz AFKDNQFVVRGGDA-DRSNIGMVSA-N 1 3 356.485 3.890 20 0 FHADHO C[NH+](C)Cc1ccnc(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)c1 ZINC001164995205 722210988 /nfs/dbraw/zinc/21/09/88/722210988.db2.gz HBTHSWUYRNCVCR-QFIPXVFZSA-N 1 3 368.500 3.527 20 0 FHADHO C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)N1CCCCCC1 ZINC000511772239 945068973 /nfs/dbraw/zinc/06/89/73/945068973.db2.gz UJZOIQUFTMNKBF-FPOVZHCZSA-N 1 3 371.569 3.668 20 0 FHADHO C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)N1CCCCCC1 ZINC000511772239 945068982 /nfs/dbraw/zinc/06/89/82/945068982.db2.gz UJZOIQUFTMNKBF-FPOVZHCZSA-N 1 3 371.569 3.668 20 0 FHADHO COc1ccc(CNCc2ccccc2N(C)C2CC[NH+](C)CC2)cc1 ZINC000123013068 937111811 /nfs/dbraw/zinc/11/18/11/937111811.db2.gz IEECLZBCJNXFGE-UHFFFAOYSA-N 1 3 353.510 3.515 20 0 FHADHO C[C@H]1CCC[N@H+](CCCCNC(=O)c2oc3ccccc3c2CN(C)C)C1 ZINC000118773599 927430801 /nfs/dbraw/zinc/43/08/01/927430801.db2.gz SRMWQIXFZPTZGD-KRWDZBQOSA-N 1 3 371.525 3.736 20 0 FHADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2oc3ccccc3c2CN(C)C)C1 ZINC000118773599 927430811 /nfs/dbraw/zinc/43/08/11/927430811.db2.gz SRMWQIXFZPTZGD-KRWDZBQOSA-N 1 3 371.525 3.736 20 0 FHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@@]3(C)CC(C)C)CC2)CC1 ZINC000655123237 928212559 /nfs/dbraw/zinc/21/25/59/928212559.db2.gz MLLXVKOPEHIONQ-QFIPXVFZSA-N 1 3 363.590 3.610 20 0 FHADHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)Nc2cccc3ccccc32)C[C@H]1C ZINC000533447274 928905206 /nfs/dbraw/zinc/90/52/06/928905206.db2.gz BENXUQJRKZGRLW-MJGOQNOKSA-N 1 3 353.510 3.973 20 0 FHADHO CC[N@H+]1CC[C@H](N(C)CCC(=O)Nc2cccc3ccccc32)C[C@H]1C ZINC000533447274 928905216 /nfs/dbraw/zinc/90/52/16/928905216.db2.gz BENXUQJRKZGRLW-MJGOQNOKSA-N 1 3 353.510 3.973 20 0 FHADHO CN(c1ccccc1CN1CCC[C@H]1c1cccn1C)C1CC[NH+](C)CC1 ZINC000179707505 928936172 /nfs/dbraw/zinc/93/61/72/928936172.db2.gz FOQMWZRABRIJBE-QHCPKHFHSA-N 1 3 366.553 3.893 20 0 FHADHO COc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1Br ZINC000037105913 928996616 /nfs/dbraw/zinc/99/66/16/928996616.db2.gz DEOCDFNZISDNBQ-JZIBPQBNSA-N 1 3 353.304 3.734 20 0 FHADHO C[C@@H]1C[C@H](N(C)Cc2ccc(Br)c3cccnc23)CC[N@@H+]1C ZINC000180196346 929418345 /nfs/dbraw/zinc/41/83/45/929418345.db2.gz VQXKUHNHDTZOQQ-UKRRQHHQSA-N 1 3 362.315 3.912 20 0 FHADHO C[C@@H]1C[C@H](N(C)Cc2ccc(Br)c3cccnc23)CC[N@H+]1C ZINC000180196346 929418354 /nfs/dbraw/zinc/41/83/54/929418354.db2.gz VQXKUHNHDTZOQQ-UKRRQHHQSA-N 1 3 362.315 3.912 20 0 FHADHO OC[C@@H]1CCC[N@@H+]1CCCCNC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000180515773 929536585 /nfs/dbraw/zinc/53/65/85/929536585.db2.gz JLCSZGMNMIYMPW-NRFANRHFSA-N 1 3 374.475 3.881 20 0 FHADHO OC[C@@H]1CCC[N@H+]1CCCCNC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000180515773 929536597 /nfs/dbraw/zinc/53/65/97/929536597.db2.gz JLCSZGMNMIYMPW-NRFANRHFSA-N 1 3 374.475 3.881 20 0 FHADHO C[C@@H](NCCOc1ccc2cc(Br)ccc2c1)[C@@H]1CC[NH2+]C1 ZINC000564825596 930683047 /nfs/dbraw/zinc/68/30/47/930683047.db2.gz VNMYCOBIDBSTMS-CZUORRHYSA-N 1 3 363.299 3.569 20 0 FHADHO CC(C)(C)OC(=O)NCCCCCCN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001167430049 931006829 /nfs/dbraw/zinc/00/68/29/931006829.db2.gz QURXKWKCQVYTAP-LJQANCHMSA-N 1 3 367.578 3.879 20 0 FHADHO CC(C)(C)OC(=O)NCCCCCC[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC001167430049 931006837 /nfs/dbraw/zinc/00/68/37/931006837.db2.gz QURXKWKCQVYTAP-LJQANCHMSA-N 1 3 367.578 3.879 20 0 FHADHO CC(C)(C)OC(=O)NCCCCCC[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC001167430049 931006844 /nfs/dbraw/zinc/00/68/44/931006844.db2.gz QURXKWKCQVYTAP-LJQANCHMSA-N 1 3 367.578 3.879 20 0 FHADHO C[C@H](CNC(=O)OC(C)(C)C)C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000090715180 931576697 /nfs/dbraw/zinc/57/66/97/931576697.db2.gz JTBPSXWGDPEAOH-INIZCTEOSA-N 1 3 353.551 3.534 20 0 FHADHO COC[C@H]([NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1)c1cccc(Cl)c1 ZINC000581362699 931897965 /nfs/dbraw/zinc/89/79/65/931897965.db2.gz BRCSEOMRTWUDOU-BXWFABGCSA-N 1 3 354.922 3.507 20 0 FHADHO CC(C)[C@@H]([NH3+])CCN(C)CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000430570255 931903455 /nfs/dbraw/zinc/90/34/55/931903455.db2.gz MYEGYDHALCCERB-GHTZIAJQSA-N 1 3 373.566 3.649 20 0 FHADHO CC(C)[C@@H]([NH3+])CCN(C)CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000430570258 931903473 /nfs/dbraw/zinc/90/34/73/931903473.db2.gz MYEGYDHALCCERB-RXVVDRJESA-N 1 3 373.566 3.649 20 0 FHADHO CC(C)[C@@H]([NH3+])CCN(C)CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000430587218 931972348 /nfs/dbraw/zinc/97/23/48/931972348.db2.gz VKTOTVJBQGQVDJ-FQEVSTJZSA-N 1 3 353.510 3.987 20 0 FHADHO COc1ccc(OC(F)F)c(CN2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000656784594 932419245 /nfs/dbraw/zinc/41/92/45/932419245.db2.gz FWHMEOIEGZTOHK-OAHLLOKOSA-N 1 3 354.441 3.508 20 0 FHADHO CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC[C@@H]2CCOc3ccccc32)cc1 ZINC000656790469 932427689 /nfs/dbraw/zinc/42/76/89/932427689.db2.gz UPOLSTXJOGQYGK-VCOUNFBDSA-N 1 3 366.505 3.687 20 0 FHADHO FC1(F)CCC([NH2+]CCCCN2CCN(Cc3ccccc3)CC2)CC1 ZINC000647172213 932467434 /nfs/dbraw/zinc/46/74/34/932467434.db2.gz MVOHQXCHYNWDHK-UHFFFAOYSA-N 1 3 365.512 3.752 20 0 FHADHO C[NH+](C)CCN(Cc1ccsc1)C(=O)c1cccc(CN2CCCC2)c1 ZINC000458207689 934378305 /nfs/dbraw/zinc/37/83/05/934378305.db2.gz WBYFGPXIJMEYDV-UHFFFAOYSA-N 1 3 371.550 3.548 20 0 FHADHO CCCN(C(=O)c1ccc(C[NH3+])cc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000236745132 934770003 /nfs/dbraw/zinc/77/00/03/934770003.db2.gz VQQRYMONIDTYSQ-JOCHJYFZSA-N 1 3 365.521 3.662 20 0 FHADHO CC(C)(CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1Br ZINC000090590741 934879539 /nfs/dbraw/zinc/87/95/39/934879539.db2.gz MAZRFBUVRHIZKX-LSDHHAIUSA-N 1 3 351.332 3.943 20 0 FHADHO CC(C)(CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1Br ZINC000090590741 934879545 /nfs/dbraw/zinc/87/95/45/934879545.db2.gz MAZRFBUVRHIZKX-LSDHHAIUSA-N 1 3 351.332 3.943 20 0 FHADHO CC[NH+](CC)Cc1ccccc1CNCc1ccc(O[C@H]2CCOC2)cc1 ZINC000657298472 935009880 /nfs/dbraw/zinc/00/98/80/935009880.db2.gz VJGXQYTWBKQRAM-QHCPKHFHSA-N 1 3 368.521 3.986 20 0 FHADHO CC[C@@H](C)C(=O)Nc1cccc(C[NH2+]Cc2ccnn2-c2ccncc2)c1 ZINC000657323014 935205754 /nfs/dbraw/zinc/20/57/54/935205754.db2.gz NOBYQJVDFGYCKX-MRXNPFEDSA-N 1 3 363.465 3.542 20 0 FHADHO CC[C@@H](C)C(=O)Nc1cccc(CNCc2ccnn2-c2cc[nH+]cc2)c1 ZINC000657323014 935205756 /nfs/dbraw/zinc/20/57/56/935205756.db2.gz NOBYQJVDFGYCKX-MRXNPFEDSA-N 1 3 363.465 3.542 20 0 FHADHO OCC[C@H]([NH2+]C1CCN(CC2CC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000582102961 935276218 /nfs/dbraw/zinc/27/62/18/935276218.db2.gz HZZUZMBXPLKWPQ-SFHVURJKSA-N 1 3 356.432 3.593 20 0 FHADHO COc1cc(C[NH2+]C[C@@H]2CN(C)C[C@H]2c2ccccc2)cc(Cl)c1OC ZINC000647248634 935553781 /nfs/dbraw/zinc/55/37/81/935553781.db2.gz NGOMTIVMOMGBSS-MSOLQXFVSA-N 1 3 374.912 3.792 20 0 FHADHO CCCOc1ccc(C[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)c(C)c1 ZINC000657398914 935561736 /nfs/dbraw/zinc/56/17/36/935561736.db2.gz FMSZIQKFMDTZOM-YADHBBJMSA-N 1 3 360.542 3.641 20 0 FHADHO O=C(NCCCCC[NH+]1CCCCC1)c1cccc(CN2CCCC2)c1 ZINC000111039649 935667875 /nfs/dbraw/zinc/66/78/75/935667875.db2.gz MHURFDYXCLXNAY-UHFFFAOYSA-N 1 3 357.542 3.668 20 0 FHADHO CC[N@H+](Cc1ccc(C(=O)N[C@H](CN(C)C)c2ccccc2)cc1)C1CC1 ZINC000511149766 935801761 /nfs/dbraw/zinc/80/17/61/935801761.db2.gz DQICNYIXNJKGCV-JOCHJYFZSA-N 1 3 365.521 3.704 20 0 FHADHO CC[N@@H+](Cc1ccc(C(=O)N[C@H](CN(C)C)c2ccccc2)cc1)C1CC1 ZINC000511149766 935801762 /nfs/dbraw/zinc/80/17/62/935801762.db2.gz DQICNYIXNJKGCV-JOCHJYFZSA-N 1 3 365.521 3.704 20 0 FHADHO Fc1ccc2oc(C[NH2+]CC3CCN(Cc4ccncc4)CC3)cc2c1 ZINC000657613631 936099062 /nfs/dbraw/zinc/09/90/62/936099062.db2.gz OOGPDPQQNQJYCE-UHFFFAOYSA-N 1 3 353.441 3.969 20 0 FHADHO Cc1ccc2cc(C[NH2+]CC3CCN(Cc4ccncc4)CC3)ccc2n1 ZINC000657613852 936100286 /nfs/dbraw/zinc/10/02/86/936100286.db2.gz UGFXGYWBVBEIIR-UHFFFAOYSA-N 1 3 360.505 3.940 20 0 FHADHO Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)NCc1ccc(C[NH3+])cc1F ZINC000650718074 938307208 /nfs/dbraw/zinc/30/72/08/938307208.db2.gz XARCFXHJWNYMRV-CYBMUJFWSA-N 1 3 363.864 3.753 20 0 FHADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2Cc2c(Cl)ccc3cccnc32)C1 ZINC000650722885 938310070 /nfs/dbraw/zinc/31/00/70/938310070.db2.gz DBAUOHCGGWOVBH-ATZDWAIDSA-N 1 3 359.901 3.749 20 0 FHADHO COc1cc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)ccc1OCC(F)(F)F ZINC000583828236 938433955 /nfs/dbraw/zinc/43/39/55/938433955.db2.gz RPRIJSPHAPURAL-BZUAXINKSA-N 1 3 372.431 3.599 20 0 FHADHO COc1cc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)ccc1OCC(F)(F)F ZINC000583828236 938433956 /nfs/dbraw/zinc/43/39/56/938433956.db2.gz RPRIJSPHAPURAL-BZUAXINKSA-N 1 3 372.431 3.599 20 0 FHADHO COc1cc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)ccc1OCC(F)(F)F ZINC000583828236 938433958 /nfs/dbraw/zinc/43/39/58/938433958.db2.gz RPRIJSPHAPURAL-BZUAXINKSA-N 1 3 372.431 3.599 20 0 FHADHO Cc1ccc(OCCC[NH+]2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)cc1C ZINC000060368506 945177282 /nfs/dbraw/zinc/17/72/82/945177282.db2.gz SQHARHRLQWFQPC-NHCUHLMSSA-N 1 3 374.569 3.894 20 0 FHADHO Cc1ccc(OCCC[NH+]2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)cc1C ZINC000060368507 945178119 /nfs/dbraw/zinc/17/81/19/945178119.db2.gz SQHARHRLQWFQPC-SFTDATJTSA-N 1 3 374.569 3.894 20 0 FHADHO COc1cccc(CNCc2c(Cl)cccc2N2CC[NH+](C)CC2)c1C ZINC000657804176 938473397 /nfs/dbraw/zinc/47/33/97/938473397.db2.gz GOOCYFLEQROHSZ-UHFFFAOYSA-N 1 3 373.928 3.699 20 0 FHADHO c1sc(-c2ccc3c(c2)OCO3)nc1CNCC1CC[NH+](C2CC2)CC1 ZINC000278544344 938521849 /nfs/dbraw/zinc/52/18/49/938521849.db2.gz XYVMHLVXZZRZGI-UHFFFAOYSA-N 1 3 371.506 3.503 20 0 FHADHO C[C@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc(Br)s1 ZINC000132836542 938543954 /nfs/dbraw/zinc/54/39/54/938543954.db2.gz LFRUDTRAQMMISZ-QWHCGFSZSA-N 1 3 373.360 3.662 20 0 FHADHO CCC[NH+]1CCN(c2ccccc2CN2CCC[C@@H]2c2cccnc2)CC1 ZINC000584021034 938550499 /nfs/dbraw/zinc/55/04/99/938550499.db2.gz CSVGOEOVRCFMMC-JOCHJYFZSA-N 1 3 364.537 3.951 20 0 FHADHO CCC[NH+]1CCN(c2ccccc2CN2CCC[C@H]2c2cccnc2)CC1 ZINC000584021035 938550624 /nfs/dbraw/zinc/55/06/24/938550624.db2.gz CSVGOEOVRCFMMC-QFIPXVFZSA-N 1 3 364.537 3.951 20 0 FHADHO COc1cc2ccc([C@H](C)NC[C@H]3CC[N@@H+](C4CC4)C3)cc2cc1OC ZINC000657834012 938635453 /nfs/dbraw/zinc/63/54/53/938635453.db2.gz IDEAODIIRRYNEZ-JKSUJKDBSA-N 1 3 354.494 3.992 20 0 FHADHO COc1cc2ccc([C@H](C)NC[C@H]3CC[N@H+](C4CC4)C3)cc2cc1OC ZINC000657834012 938635454 /nfs/dbraw/zinc/63/54/54/938635454.db2.gz IDEAODIIRRYNEZ-JKSUJKDBSA-N 1 3 354.494 3.992 20 0 FHADHO CCCC[C@H](NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)C1CCC1 ZINC000584240452 938652906 /nfs/dbraw/zinc/65/29/06/938652906.db2.gz HYVLOIVKVIDPDC-NRFANRHFSA-N 1 3 363.590 3.658 20 0 FHADHO C[NH+](C)CCNC(=O)c1ccc(CNCc2ccc(C3CCC3)cc2)cc1 ZINC000584279971 938671377 /nfs/dbraw/zinc/67/13/77/938671377.db2.gz GGLVWDKYYPLHEG-UHFFFAOYSA-N 1 3 365.521 3.535 20 0 FHADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H](C)C(C)(C)C(F)F)cc2)CC1 ZINC000657839278 938691318 /nfs/dbraw/zinc/69/13/18/938691318.db2.gz QWQQLOHJLXUXKP-INIZCTEOSA-N 1 3 353.501 3.594 20 0 FHADHO CCc1ccc([C@@H](CO)N[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000090844182 938883515 /nfs/dbraw/zinc/88/35/15/938883515.db2.gz BTYAYRZYQMZZQK-HTAPYJJXSA-N 1 3 356.510 3.574 20 0 FHADHO CCN1CCN(CCC[NH2+][C@H](c2cccc(C(F)(F)F)c2)C2CC2)CC1 ZINC000091285060 938899111 /nfs/dbraw/zinc/89/91/11/938899111.db2.gz VIMPVFFJNLUPJT-IBGZPJMESA-N 1 3 369.475 3.774 20 0 FHADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H](c3cccnc3)C(C)C)cc2)CC1 ZINC000091287221 938899462 /nfs/dbraw/zinc/89/94/62/938899462.db2.gz XVUOHEFMULHHNV-HSZRJFAPSA-N 1 3 366.553 3.706 20 0 FHADHO CCCN1CCN(c2ccccc2C[N@H+](C)CCc2ncc(C)s2)CC1 ZINC000093807229 938930193 /nfs/dbraw/zinc/93/01/93/938930193.db2.gz FYAMNHYGVUNIOQ-UHFFFAOYSA-N 1 3 372.582 3.658 20 0 FHADHO CCCN1CCN(c2ccccc2C[N@@H+](C)CCc2ncc(C)s2)CC1 ZINC000093807229 938930194 /nfs/dbraw/zinc/93/01/94/938930194.db2.gz FYAMNHYGVUNIOQ-UHFFFAOYSA-N 1 3 372.582 3.658 20 0 FHADHO C[C@H]1C[NH+](CC2CCN(Cc3ccccc3OC3CC3)CC2)C[C@H](C)O1 ZINC000685417574 938985041 /nfs/dbraw/zinc/98/50/41/938985041.db2.gz VLJQXQZDYDDVBS-ROUUACIJSA-N 1 3 358.526 3.549 20 0 FHADHO Cc1n[nH]c(C)c1[C@H]1CCCN1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000685471301 938989547 /nfs/dbraw/zinc/98/95/47/938989547.db2.gz BIGMABAEWCCVGT-OAQYLSRUSA-N 1 3 368.525 3.838 20 0 FHADHO C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000708563114 938991587 /nfs/dbraw/zinc/99/15/87/938991587.db2.gz USDXXKGDBJWUTG-QKNQBKEWSA-N 1 3 365.521 3.761 20 0 FHADHO Clc1ncccc1CNCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000176984850 939025903 /nfs/dbraw/zinc/02/59/03/939025903.db2.gz QJJWGAXXAYPVIE-UHFFFAOYSA-N 1 3 373.928 3.896 20 0 FHADHO C[C@@H](NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccc(F)c(Cl)c1 ZINC000658141278 939035674 /nfs/dbraw/zinc/03/56/74/939035674.db2.gz SKTBIFSBCSDIKZ-RDTXWAMCSA-N 1 3 362.876 3.897 20 0 FHADHO C[C@@H](NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc(F)c(Cl)c1 ZINC000658141278 939035677 /nfs/dbraw/zinc/03/56/77/939035677.db2.gz SKTBIFSBCSDIKZ-RDTXWAMCSA-N 1 3 362.876 3.897 20 0 FHADHO C[C@@H](NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1nccc2ccccc21 ZINC000658138110 939042196 /nfs/dbraw/zinc/04/21/96/939042196.db2.gz MSJDGFUHFVZMCJ-UTKZUKDTSA-N 1 3 361.489 3.652 20 0 FHADHO C[C@@H](NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1nccc2ccccc21 ZINC000658138110 939042199 /nfs/dbraw/zinc/04/21/99/939042199.db2.gz MSJDGFUHFVZMCJ-UTKZUKDTSA-N 1 3 361.489 3.652 20 0 FHADHO C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccc(C(F)F)nc1 ZINC000658165589 939053152 /nfs/dbraw/zinc/05/31/52/939053152.db2.gz SADVVBGFTVXLQE-HNNXBMFYSA-N 1 3 360.452 3.977 20 0 FHADHO CC(C)[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccc(F)cn1 ZINC000658166752 939053634 /nfs/dbraw/zinc/05/36/34/939053634.db2.gz OMHCXZOZBJNBHI-NRFANRHFSA-N 1 3 356.489 3.815 20 0 FHADHO COc1cccc2c1CC[C@H]2[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658166246 939054482 /nfs/dbraw/zinc/05/44/82/939054482.db2.gz NFSFOCIVJHVTFW-OAQYLSRUSA-N 1 3 351.494 3.579 20 0 FHADHO CC(C)N1CCN(CCC[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000511828525 945224845 /nfs/dbraw/zinc/22/48/45/945224845.db2.gz YESCAEPZHVBEFG-YTFSRNRJSA-N 1 3 355.570 3.671 20 0 FHADHO CC(C)N1CCN(CCC[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000511828525 945224857 /nfs/dbraw/zinc/22/48/57/945224857.db2.gz YESCAEPZHVBEFG-YTFSRNRJSA-N 1 3 355.570 3.671 20 0 FHADHO COc1ccc([C@H](C)NCC2(C)CC[NH+](C)CC2)c(Br)c1 ZINC000507424931 945227239 /nfs/dbraw/zinc/22/72/39/945227239.db2.gz FGRZZAFZPGPINA-ZDUSSCGKSA-N 1 3 355.320 3.840 20 0 FHADHO C[C@@H]([NH2+]CC1CCN(Cc2ccccc2Cl)CC1)[C@@H]1CCCOC1 ZINC000507516751 945279786 /nfs/dbraw/zinc/27/97/86/945279786.db2.gz XRFACYNMPBNZGU-VQIMIIECSA-N 1 3 350.934 3.957 20 0 FHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(C[S@@](C)=O)cc1 ZINC000376114715 940330793 /nfs/dbraw/zinc/33/07/93/940330793.db2.gz MMTWYQSIBNSFNW-NDKUEENFSA-N 1 3 370.562 3.565 20 0 FHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(C[S@@](C)=O)cc1 ZINC000376114715 940330796 /nfs/dbraw/zinc/33/07/96/940330796.db2.gz MMTWYQSIBNSFNW-NDKUEENFSA-N 1 3 370.562 3.565 20 0 FHADHO CC(C)N1CCC([NH2+][C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000174295958 940718438 /nfs/dbraw/zinc/71/84/38/940718438.db2.gz MITOHHHXWIPYAN-ROUUACIJSA-N 1 3 371.569 3.594 20 0 FHADHO CC(C)N1CCC([NH2+][C@@H](C)C(=O)N[C@H](C)c2cccc3ccccc32)CC1 ZINC000174295586 940718453 /nfs/dbraw/zinc/71/84/53/940718453.db2.gz REDDBTNEJZAIEF-MSOLQXFVSA-N 1 3 367.537 3.868 20 0 FHADHO CC(C)N1CCC([NH2+][C@@H](C)C(=O)N[C@H](C)c2ccc3ccccc3c2)CC1 ZINC000174295136 940718461 /nfs/dbraw/zinc/71/84/61/940718461.db2.gz AIQACUQOHWDSKC-MSOLQXFVSA-N 1 3 367.537 3.868 20 0 FHADHO C[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1cc2c(s1)CCC2 ZINC000414293450 940907479 /nfs/dbraw/zinc/90/74/79/940907479.db2.gz BIGKREIXZNEKSF-QGZVFWFLSA-N 1 3 370.562 3.915 20 0 FHADHO CC1(C)CCCN(CCNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000427423165 945360588 /nfs/dbraw/zinc/36/05/88/945360588.db2.gz ZGMOWVZQBPXMTI-UHFFFAOYSA-N 1 3 357.542 3.524 20 0 FHADHO C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000414311457 940943089 /nfs/dbraw/zinc/94/30/89/940943089.db2.gz VARSNTAQIITCBA-JTSKRJEESA-N 1 3 368.496 3.676 20 0 FHADHO CC1(C)Cc2occc2[C@@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC000414313524 940946549 /nfs/dbraw/zinc/94/65/49/940946549.db2.gz YIESWDLKRNHELS-FQEVSTJZSA-N 1 3 368.521 3.910 20 0 FHADHO CCN1CCN(CCC[NH2+][C@@H]2CCc3cc(Cl)cc(Cl)c32)CC1 ZINC000134315822 941012227 /nfs/dbraw/zinc/01/22/27/941012227.db2.gz WCORLAVOSSRVGB-QGZVFWFLSA-N 1 3 356.341 3.598 20 0 FHADHO CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@@H](c2ccccc2)N(C)C)cc1 ZINC000511509296 941050900 /nfs/dbraw/zinc/05/09/00/941050900.db2.gz APNPJXFKQSFATG-QFIPXVFZSA-N 1 3 367.537 3.951 20 0 FHADHO CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@@H](c2ccccc2)N(C)C)cc1 ZINC000511509296 941050902 /nfs/dbraw/zinc/05/09/02/941050902.db2.gz APNPJXFKQSFATG-QFIPXVFZSA-N 1 3 367.537 3.951 20 0 FHADHO COc1cc(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc(Cl)c1OC ZINC000647543404 941065384 /nfs/dbraw/zinc/06/53/84/941065384.db2.gz MQJBYLAJUQZEDL-JKSUJKDBSA-N 1 3 352.906 3.569 20 0 FHADHO C[NH+](C)C1CCN(CCN[C@@H]2CCc3cc(Cl)cc(Cl)c32)CC1 ZINC000134429508 941071377 /nfs/dbraw/zinc/07/13/77/941071377.db2.gz NPGOUMULJCTAFT-QGZVFWFLSA-N 1 3 356.341 3.596 20 0 FHADHO c1c[nH]c([C@@H]2CCCN2CCCCCCN2CCC[C@H]2c2ncc[nH]2)n1 ZINC000376495230 941083459 /nfs/dbraw/zinc/08/34/59/941083459.db2.gz MAQQYJWHBFOBBF-ROUUACIJSA-N 1 3 356.518 3.667 20 0 FHADHO c1c[nH]c([C@@H]2CCCN2CCCCCC[N@@H+]2CCC[C@H]2c2ncc[nH]2)n1 ZINC000376495230 941083460 /nfs/dbraw/zinc/08/34/60/941083460.db2.gz MAQQYJWHBFOBBF-ROUUACIJSA-N 1 3 356.518 3.667 20 0 FHADHO c1c[nH]c([C@@H]2CCCN2CCCCCC[N@H+]2CCC[C@H]2c2ncc[nH]2)n1 ZINC000376495230 941083461 /nfs/dbraw/zinc/08/34/61/941083461.db2.gz MAQQYJWHBFOBBF-ROUUACIJSA-N 1 3 356.518 3.667 20 0 FHADHO Cc1cc(NC(=O)Nc2cccc(CN(C)C)c2)ccc1OCC[NH+](C)C ZINC000414400110 941100603 /nfs/dbraw/zinc/10/06/03/941100603.db2.gz MFYGVQVDXKYXLX-UHFFFAOYSA-N 1 3 370.497 3.641 20 0 FHADHO CC[NH+](CC)Cc1cccc(CN[C@@H](C)c2ccc(-n3cncn3)cc2)c1 ZINC000163571068 941122370 /nfs/dbraw/zinc/12/23/70/941122370.db2.gz ANNVNRIXNORGTL-SFHVURJKSA-N 1 3 363.509 3.960 20 0 FHADHO C[C@@H]([NH3+])c1ccc(NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)cc1 ZINC000178248408 941211638 /nfs/dbraw/zinc/21/16/38/941211638.db2.gz AIXZABIKLWQZGK-CRAIPNDOSA-N 1 3 355.457 3.696 20 0 FHADHO O[C@@H](C[NH2+]C[C@@H]1CCCN(Cc2ccccc2)C1)c1c(F)cccc1F ZINC000311498792 941314938 /nfs/dbraw/zinc/31/49/38/941314938.db2.gz LGKZMQKDUOJQHR-PXNSSMCTSA-N 1 3 360.448 3.500 20 0 FHADHO Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2CNCc2cc(-n3ccnc3)cs2)cc1 ZINC000415011559 941540257 /nfs/dbraw/zinc/54/02/57/941540257.db2.gz WDNSMJWIEDPPTE-UZLBHIALSA-N 1 3 370.497 3.556 20 0 FHADHO Fc1ccc([C@@H]2CCNC[C@@H]2C[NH2+]Cc2cc(-n3ccnc3)cs2)cc1 ZINC000415011559 941540261 /nfs/dbraw/zinc/54/02/61/941540261.db2.gz WDNSMJWIEDPPTE-UZLBHIALSA-N 1 3 370.497 3.556 20 0 FHADHO CC(C)C[C@H](N)C[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000415075249 941586253 /nfs/dbraw/zinc/58/62/53/941586253.db2.gz BHJFITMATVGHQU-HNNXBMFYSA-N 1 3 358.357 3.921 20 0 FHADHO CC(C)C[C@H]([NH3+])CNC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000415075249 941586256 /nfs/dbraw/zinc/58/62/56/941586256.db2.gz BHJFITMATVGHQU-HNNXBMFYSA-N 1 3 358.357 3.921 20 0 FHADHO CC(C)N1CC[NH+](CCCN2CC[C@](F)(c3cccc(Cl)c3)C2)CC1 ZINC000549177013 941588246 /nfs/dbraw/zinc/58/82/46/941588246.db2.gz APUKICFBTXFMQX-HXUWFJFHSA-N 1 3 367.940 3.627 20 0 FHADHO [NH3+][C@@H]1CCO[C@H](C2CCN(Cc3ccccc3OC3CCCC3)CC2)C1 ZINC000415124640 941620558 /nfs/dbraw/zinc/62/05/58/941620558.db2.gz MVQWNPUGAPKENF-KNQAVFIVSA-N 1 3 358.526 3.726 20 0 FHADHO Cc1cc(CN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c(OC(F)F)cc1C ZINC000415129441 941622744 /nfs/dbraw/zinc/62/27/44/941622744.db2.gz UWZLTAPYMXIQPU-ZWKOTPCHSA-N 1 3 368.468 3.623 20 0 FHADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(CC[C@H]2CCc3ccccc32)CC1 ZINC000659862940 941954262 /nfs/dbraw/zinc/95/42/62/941954262.db2.gz GDSMTEWHIOGCNR-KCZVDYSFSA-N 1 3 355.570 3.597 20 0 FHADHO CC[NH2+]Cc1cccc(NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000415908484 942127899 /nfs/dbraw/zinc/12/78/99/942127899.db2.gz PPWGMBPYWPOSID-OAQYLSRUSA-N 1 3 366.509 3.582 20 0 FHADHO C[NH2+]Cc1ccc(NC(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)cc1 ZINC000415969615 942215311 /nfs/dbraw/zinc/21/53/11/942215311.db2.gz GRLONHQYOYTEBT-GOSISDBHSA-N 1 3 366.509 3.534 20 0 FHADHO CC[N@H+](CCC1CCN(C(=O)Nc2ccc3c(c2)CNC3)CC1)CC(C)C ZINC000416011639 942252811 /nfs/dbraw/zinc/25/28/11/942252811.db2.gz PVHSJULHLNFKMR-UHFFFAOYSA-N 1 3 372.557 3.902 20 0 FHADHO CC[N@@H+](CCC1CCN(C(=O)Nc2ccc3c(c2)CNC3)CC1)CC(C)C ZINC000416011639 942252814 /nfs/dbraw/zinc/25/28/14/942252814.db2.gz PVHSJULHLNFKMR-UHFFFAOYSA-N 1 3 372.557 3.902 20 0 FHADHO CC(C)N1CCN(CCC[NH2+][C@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000501009568 942255895 /nfs/dbraw/zinc/25/58/95/942255895.db2.gz CZDSLYDZQQJCAJ-MRXNPFEDSA-N 1 3 357.464 3.772 20 0 FHADHO CC(C)CCC[C@H](C)NC(=O)CN(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501045731 942273335 /nfs/dbraw/zinc/27/33/35/942273335.db2.gz JZYTVKXPUHRMKF-IBGZPJMESA-N 1 3 374.573 3.561 20 0 FHADHO CC(C)N1CCN(CCC[NH2+]C2(Cc3ccccc3)CCCCC2)CC1 ZINC000501035935 942278139 /nfs/dbraw/zinc/27/81/39/942278139.db2.gz KTPJBEVZNSDSQO-UHFFFAOYSA-N 1 3 357.586 3.938 20 0 FHADHO CC[NH+]1CCC(N2CCCN([C@H](C)c3ccc(F)cc3F)CC2)CC1 ZINC000420983761 942282039 /nfs/dbraw/zinc/28/20/39/942282039.db2.gz RLKHYUINYRKRDQ-MRXNPFEDSA-N 1 3 351.485 3.518 20 0 FHADHO O[C@H](C[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000312042652 942389556 /nfs/dbraw/zinc/38/95/56/942389556.db2.gz XDDCTPMELMMYIN-DENIHFKCSA-N 1 3 356.485 3.751 20 0 FHADHO CCc1cc(OC)ccc1C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000501386638 942441976 /nfs/dbraw/zinc/44/19/76/942441976.db2.gz MCRIOABJLCHZIM-FQEVSTJZSA-N 1 3 352.522 3.912 20 0 FHADHO C[NH+](C)C1CCC(NCc2cn(-c3ccc(Cl)cc3Cl)nn2)CC1 ZINC000421380248 942529622 /nfs/dbraw/zinc/52/96/22/942529622.db2.gz XYFFQFXYXUPPFK-UHFFFAOYSA-N 1 3 368.312 3.537 20 0 FHADHO C[C@H](c1nc(-c2ccc(Cl)cc2)no1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420327927 942630478 /nfs/dbraw/zinc/63/04/78/942630478.db2.gz LSWXBKUKPFMAQX-KBMXLJTQSA-N 1 3 360.889 3.773 20 0 FHADHO Cc1ccc(-c2noc(CCCN3CCCC[C@H]3[C@@H]3CC[NH2+]C3)n2)cc1F ZINC000420379984 942647320 /nfs/dbraw/zinc/64/73/20/942647320.db2.gz BXYSNNKTUUADKT-MJGOQNOKSA-N 1 3 372.488 3.581 20 0 FHADHO [NH3+][C@H]1CCO[C@H](C2CCN(CCOc3ccc(Cl)cc3Cl)CC2)C1 ZINC000420398456 942655277 /nfs/dbraw/zinc/65/52/77/942655277.db2.gz YSTUPMZEJQQUHK-YJBOKZPZSA-N 1 3 373.324 3.591 20 0 FHADHO O=C(CCN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)Nc1cccc2ccccc21 ZINC000647901939 942665279 /nfs/dbraw/zinc/66/52/79/942665279.db2.gz XQSGQFNUNRJVHP-UYAOXDASSA-N 1 3 351.494 3.632 20 0 FHADHO C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc(Cl)nc1 ZINC000182246413 942700180 /nfs/dbraw/zinc/70/01/80/942700180.db2.gz GWDMFOLJXRJVNS-DNVCBOLYSA-N 1 3 359.901 3.543 20 0 FHADHO C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(Cl)nc1 ZINC000182246413 942700189 /nfs/dbraw/zinc/70/01/89/942700189.db2.gz GWDMFOLJXRJVNS-DNVCBOLYSA-N 1 3 359.901 3.543 20 0 FHADHO CC[NH+](CC)Cc1cccc(CN[C@@H](C)c2ccccc2-n2ccnn2)c1 ZINC000514105770 942749085 /nfs/dbraw/zinc/74/90/85/942749085.db2.gz UBRLRXWUGJAVJY-SFHVURJKSA-N 1 3 363.509 3.960 20 0 FHADHO C[N@@H+](Cc1ccccc1)CC1CCN(Cc2cccc3c2OCO3)CC1 ZINC000513755020 942752938 /nfs/dbraw/zinc/75/29/38/942752938.db2.gz PFXCIZRRZAOKTJ-UHFFFAOYSA-N 1 3 352.478 3.759 20 0 FHADHO C[N@H+](Cc1ccccc1)CC1CCN(Cc2cccc3c2OCO3)CC1 ZINC000513755020 942752942 /nfs/dbraw/zinc/75/29/42/942752942.db2.gz PFXCIZRRZAOKTJ-UHFFFAOYSA-N 1 3 352.478 3.759 20 0 FHADHO Cc1ccc([C@@H](CNC(=O)NCCCC[N@H+]2CCCC[C@H]2C)N(C)C)cc1 ZINC000514136805 942774640 /nfs/dbraw/zinc/77/46/40/942774640.db2.gz BBPTUJVCUAWINN-TZIWHRDSSA-N 1 3 374.573 3.552 20 0 FHADHO Cc1ccc([C@@H](CNC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)N(C)C)cc1 ZINC000514136805 942774644 /nfs/dbraw/zinc/77/46/44/942774644.db2.gz BBPTUJVCUAWINN-TZIWHRDSSA-N 1 3 374.573 3.552 20 0 FHADHO CC[NH+]1CCN(Cc2ccc(CN[C@H](C)c3ccncc3Cl)cc2)CC1 ZINC000421821834 942832155 /nfs/dbraw/zinc/83/21/55/942832155.db2.gz UKUVPVUDSMXHLJ-QGZVFWFLSA-N 1 3 372.944 3.723 20 0 FHADHO CCCN1CCN(c2ccccc2C[NH+]2CCC(C)(OCC)CC2)CC1 ZINC000430112875 942926647 /nfs/dbraw/zinc/92/66/47/942926647.db2.gz ZVICMEZZOGRYKD-UHFFFAOYSA-N 1 3 359.558 3.610 20 0 FHADHO Cc1nnc([C@@H](C)NCCCCCC[NH2+][C@H](C)c2nnc(C)s2)s1 ZINC000273559226 942985133 /nfs/dbraw/zinc/98/51/33/942985133.db2.gz DBOKSDLRJJRKGD-VXGBXAGGSA-N 1 3 368.576 3.568 20 0 FHADHO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)N[C@H](C[NH3+])C1CCCCC1 ZINC000414856448 943002610 /nfs/dbraw/zinc/00/26/10/943002610.db2.gz ZDOUFWFRIYXZJS-HNAYVOBHSA-N 1 3 365.949 3.574 20 0 FHADHO C[C@@H](NCCC(=O)N1CCCc2ccccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000503198461 943048343 /nfs/dbraw/zinc/04/83/43/943048343.db2.gz LEYLRTXWSOERAO-UYAOXDASSA-N 1 3 369.553 3.599 20 0 FHADHO C[C@@H](NCCC(=O)N1CCCc2ccccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000503198461 943048351 /nfs/dbraw/zinc/04/83/51/943048351.db2.gz LEYLRTXWSOERAO-UYAOXDASSA-N 1 3 369.553 3.599 20 0 FHADHO C[C@@H](NCCC(=O)N1CCCc2ccccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000503198460 943048630 /nfs/dbraw/zinc/04/86/30/943048630.db2.gz LEYLRTXWSOERAO-QUCCMNQESA-N 1 3 369.553 3.599 20 0 FHADHO C[C@@H](NCCC(=O)N1CCCc2ccccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000503198460 943048635 /nfs/dbraw/zinc/04/86/35/943048635.db2.gz LEYLRTXWSOERAO-QUCCMNQESA-N 1 3 369.553 3.599 20 0 FHADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CC1(N)CCCCCC1 ZINC000414860018 943059091 /nfs/dbraw/zinc/05/90/91/943059091.db2.gz OBERVVCNFVVFJU-MRXNPFEDSA-N 1 3 365.949 3.718 20 0 FHADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CC1(N)CCCCCC1 ZINC000414863046 943090369 /nfs/dbraw/zinc/09/03/69/943090369.db2.gz WQLIFMNWNHHGGI-MRXNPFEDSA-N 1 3 365.949 3.718 20 0 FHADHO Cn1ncc2c1CCC[C@@H]2[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000272281166 943128217 /nfs/dbraw/zinc/12/82/17/943128217.db2.gz ADKXGSGLOZPSCO-HUUJSLGLSA-N 1 3 350.510 3.583 20 0 FHADHO CC(=O)Nc1cccc(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000272381934 943146830 /nfs/dbraw/zinc/14/68/30/943146830.db2.gz BZCQXFGIUIVYBF-DYESRHJHSA-N 1 3 351.494 3.645 20 0 FHADHO CCS[C@@H]1CCC[C@@H]1NCC1(C[NH2+][C@H]2CCC[C@H]2SCC)COC1 ZINC000503517788 943229852 /nfs/dbraw/zinc/22/98/52/943229852.db2.gz SDDNCUIMJUIXGG-WNRNVDISSA-N 1 3 372.644 3.531 20 0 FHADHO N[C@@H]1CCCCC[C@H]1[NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000422705010 943240201 /nfs/dbraw/zinc/24/02/01/943240201.db2.gz BDTPRJCXECZQIE-RTBURBONSA-N 1 3 369.475 3.919 20 0 FHADHO [NH3+][C@@H]1CCCCC[C@H]1NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000422705010 943240204 /nfs/dbraw/zinc/24/02/04/943240204.db2.gz BDTPRJCXECZQIE-RTBURBONSA-N 1 3 369.475 3.919 20 0 FHADHO N[C@H]1CCCCC[C@@H]1[NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000422705008 943240434 /nfs/dbraw/zinc/24/04/34/943240434.db2.gz BDTPRJCXECZQIE-OALUTQOASA-N 1 3 369.475 3.919 20 0 FHADHO [NH3+][C@H]1CCCCC[C@@H]1NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000422705008 943240440 /nfs/dbraw/zinc/24/04/40/943240440.db2.gz BDTPRJCXECZQIE-OALUTQOASA-N 1 3 369.475 3.919 20 0 FHADHO Cc1ccc(C(=O)Nc2cccc(CN[C@H]3CCCC[C@H]3C[NH3+])c2)cc1 ZINC000422707107 943241611 /nfs/dbraw/zinc/24/16/11/943241611.db2.gz GRDZUMJHGBQITF-FPOVZHCZSA-N 1 3 351.494 3.854 20 0 FHADHO CCOc1cc(CCC[NH2+][C@H](C)c2ccc(CN)nc2C)ccc1OC ZINC000422766924 943274642 /nfs/dbraw/zinc/27/46/42/943274642.db2.gz XXRBUQYYFUVEGN-OAHLLOKOSA-N 1 3 357.498 3.539 20 0 FHADHO C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000422785643 943282730 /nfs/dbraw/zinc/28/27/30/943282730.db2.gz NPRGGOAWZPDCJF-VGOFRKELSA-N 1 3 371.956 3.853 20 0 FHADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000422785643 943282737 /nfs/dbraw/zinc/28/27/37/943282737.db2.gz NPRGGOAWZPDCJF-VGOFRKELSA-N 1 3 371.956 3.853 20 0 FHADHO CO[C@H](CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(Cl)cc1 ZINC000422795081 943285405 /nfs/dbraw/zinc/28/54/05/943285405.db2.gz ZPTKTPBREHUYED-TYPHKJRUSA-N 1 3 372.896 3.873 20 0 FHADHO OC[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)Cc1c(F)cccc1Cl ZINC000422799301 943287986 /nfs/dbraw/zinc/28/79/86/943287986.db2.gz WBJGIDHIKPCWRP-KQEPKPNTSA-N 1 3 368.924 3.531 20 0 FHADHO N[C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000422841645 943311588 /nfs/dbraw/zinc/31/15/88/943311588.db2.gz DJWRQLJXZSMHRC-VQTJNVASSA-N 1 3 355.457 3.828 20 0 FHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000422844142 943312140 /nfs/dbraw/zinc/31/21/40/943312140.db2.gz KYFJBPQDARIYLK-VFNWGFHPSA-N 1 3 372.944 3.990 20 0 FHADHO NC[C@H]1CCC[C@H]1[NH2+]CC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000422877241 943313714 /nfs/dbraw/zinc/31/37/14/943313714.db2.gz HMEDQUYWKIPEHG-CXAGYDPISA-N 1 3 357.325 3.759 20 0 FHADHO C[C@H](CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)c1c(Cl)cccc1Cl ZINC000422883286 943316518 /nfs/dbraw/zinc/31/65/18/943316518.db2.gz UPWVULBJPRCQOY-DLTLXFJOSA-N 1 3 357.325 3.844 20 0 FHADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]Cc1ccnc(OCc2ccccc2)c1 ZINC000422966520 943343384 /nfs/dbraw/zinc/34/33/84/943343384.db2.gz AKQWOYYYXYPUJM-AVRDEDQJSA-N 1 3 361.489 3.709 20 0 FHADHO COc1ccc(-c2ccccc2)cc1CN1CCC(OCCC[NH3+])CC1 ZINC000435375903 943357298 /nfs/dbraw/zinc/35/72/98/943357298.db2.gz OTLZRIKBOJLCMX-UHFFFAOYSA-N 1 3 354.494 3.692 20 0 FHADHO c1ccc([C@H](N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)[C@@H]2CCOC2)cc1 ZINC000422986186 943359278 /nfs/dbraw/zinc/35/92/78/943359278.db2.gz GQCPXOAYNXIRKU-WENLIBGGSA-N 1 3 364.489 3.610 20 0 FHADHO CCN(CC)[C@@H](CNC(=O)C[C@@H](c1ccccc1)[NH+](C)C)c1ccsc1 ZINC000431923792 943364998 /nfs/dbraw/zinc/36/49/98/943364998.db2.gz OADPNQPUSTVZDH-PMACEKPBSA-N 1 3 373.566 3.940 20 0 FHADHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3cccc(NC(=O)c4ccc(Cl)cc4)c3)C[C@@H]12 ZINC000435381700 943369952 /nfs/dbraw/zinc/36/99/52/943369952.db2.gz VITGFUUEAUXWGD-NSISKUIASA-N 1 3 369.896 3.761 20 0 FHADHO C[C@H](C[C@H](C)[NH3+])NCCOc1ccc(Br)cc1C(F)(F)F ZINC000423030790 943371575 /nfs/dbraw/zinc/37/15/75/943371575.db2.gz WHQZASZUVFNDNP-VHSXEESVSA-N 1 3 369.225 3.562 20 0 FHADHO Cc1nc(C[NH3+])ccc1[C@@H](C)NCc1cc2cc(Br)ccc2[nH]1 ZINC000423051405 943384033 /nfs/dbraw/zinc/38/40/33/943384033.db2.gz OCYZJTXEEKBVPC-LLVKDONJSA-N 1 3 373.298 3.943 20 0 FHADHO Clc1ccc([C@H]2C[C@H](N[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)C2)cc1Cl ZINC000423100956 943394666 /nfs/dbraw/zinc/39/46/66/943394666.db2.gz NDDPLCFLDLSDGQ-CQAXQDJESA-N 1 3 369.336 3.986 20 0 FHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H](Cc1ccccc1)C(F)(F)F ZINC000423123898 943398589 /nfs/dbraw/zinc/39/85/89/943398589.db2.gz NPSGIVSEIZCIEC-CZUORRHYSA-N 1 3 351.416 3.921 20 0 FHADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000423139870 943417072 /nfs/dbraw/zinc/41/70/72/943417072.db2.gz WSPRPUNDGJIXMD-UONOGXRCSA-N 1 3 353.445 3.585 20 0 FHADHO C[C@@H](NCc1ccc([C@H](C)[NH3+])cc1)c1ccc(OCc2nccn2C)cc1 ZINC000423291902 943466076 /nfs/dbraw/zinc/46/60/76/943466076.db2.gz KLQXFOQFYKAIBX-DLBZAZTESA-N 1 3 364.493 3.870 20 0 FHADHO CC(C)C[C@H](N)C[N@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000414734351 943484171 /nfs/dbraw/zinc/48/41/71/943484171.db2.gz DOLGLZNSVNJEQN-KRWDZBQOSA-N 1 3 369.347 3.804 20 0 FHADHO CC(C)C[C@H](N)C[N@@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000414734351 943484175 /nfs/dbraw/zinc/48/41/75/943484175.db2.gz DOLGLZNSVNJEQN-KRWDZBQOSA-N 1 3 369.347 3.804 20 0 FHADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H](N)CC2CCCCC2)CC1 ZINC000423368636 943493120 /nfs/dbraw/zinc/49/31/20/943493120.db2.gz BGCOUPMJYHCLMN-UTKZUKDTSA-N 1 3 357.542 3.626 20 0 FHADHO CC(C)NC(=O)Nc1ccc([C@@H](C)NCc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000423367564 943493279 /nfs/dbraw/zinc/49/32/79/943493279.db2.gz CTFCPHIZHZGRGN-OAHLLOKOSA-N 1 3 352.482 3.671 20 0 FHADHO C[C@@H](CC(=O)Nc1ccccc1)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423474415 943526426 /nfs/dbraw/zinc/52/64/26/943526426.db2.gz OTZTZRLZERQEGD-DJPFJPOOSA-N 1 3 369.484 3.526 20 0 FHADHO COc1ccc([C@@H](C)[C@@H](C)[NH2+]CC2(N)C3CC4CC(C3)CC2C4)cc1OC ZINC000423516062 943543386 /nfs/dbraw/zinc/54/33/86/943543386.db2.gz ANPPKSMFXWTTJK-YDMNSXHZSA-N 1 3 372.553 3.939 20 0 FHADHO Cc1nn(-c2ccc(Cl)cc2)c(C)c1CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414763946 943637728 /nfs/dbraw/zinc/63/77/28/943637728.db2.gz CUXAVZLVZFYWCH-CALCHBBNSA-N 1 3 358.917 3.574 20 0 FHADHO Cc1ccc(-c2ncc(CN3CCC([C@@H]4C[C@@H]([NH3+])CCO4)CC3)s2)cc1 ZINC000515373799 943818691 /nfs/dbraw/zinc/81/86/91/943818691.db2.gz VLBNIBDNNGFESP-ICSRJNTNSA-N 1 3 371.550 3.837 20 0 FHADHO N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000424329904 943847258 /nfs/dbraw/zinc/84/72/58/943847258.db2.gz HFSRFAGLENNCGW-ZACQAIPSSA-N 1 3 370.324 3.516 20 0 FHADHO COC(=O)[C@H](CCN[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1ccccc1 ZINC000425431995 943908205 /nfs/dbraw/zinc/90/82/05/943908205.db2.gz JKJSRQFFIZSCHT-SLYNCCJLSA-N 1 3 358.526 3.576 20 0 FHADHO COC(=O)[C@H](CCN[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccccc1 ZINC000425431995 943908209 /nfs/dbraw/zinc/90/82/09/943908209.db2.gz JKJSRQFFIZSCHT-SLYNCCJLSA-N 1 3 358.526 3.576 20 0 FHADHO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@H]1CCCC[C@H]1CN ZINC000414790317 943938501 /nfs/dbraw/zinc/93/85/01/943938501.db2.gz AAXDVWJUKRBRJX-IPYPFGDCSA-N 1 3 357.420 3.530 20 0 FHADHO CCOc1cc(CN[C@H]2CCCC[C@H]2C[NH3+])ccc1OCC(F)(F)F ZINC000414794934 943971464 /nfs/dbraw/zinc/97/14/64/943971464.db2.gz GGZXRWIENQELSE-GJZGRUSLSA-N 1 3 360.420 3.634 20 0 FHADHO NC[C@H]1CCCC[C@@H]1[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000414811389 944094799 /nfs/dbraw/zinc/09/47/99/944094799.db2.gz WBLVONGLOQTMDF-KUHUBIRLSA-N 1 3 353.913 3.551 20 0 FHADHO C[C@H](COc1ccc2cc(Br)ccc2c1)NCC[C@H](C)[NH3+] ZINC000414818100 944139336 /nfs/dbraw/zinc/13/93/36/944139336.db2.gz CSAIDBPTYLRKTO-QWHCGFSZSA-N 1 3 351.288 3.697 20 0 FHADHO C[C@H](C[NH2+][C@H](C)c1ccc(OC[C@H]2CCCCO2)c(F)c1)CN(C)C ZINC000425920203 944173100 /nfs/dbraw/zinc/17/31/00/944173100.db2.gz JYFYUZAXWLSWDP-JFIYKMOQSA-N 1 3 352.494 3.622 20 0 FHADHO OC1CC[NH+](Cc2ccccc2CNCc2cc3c(cccc3F)[nH]2)CC1 ZINC000436316653 944194741 /nfs/dbraw/zinc/19/47/41/944194741.db2.gz SUCFNPPTPRYAMV-UHFFFAOYSA-N 1 3 367.468 3.554 20 0 FHADHO CN1CCN(CC2(C)CC[NH+]([C@@H]3CC[C@@](C)(c4ccccc4)C3)CC2)CC1 ZINC000437969585 944258985 /nfs/dbraw/zinc/25/89/85/944258985.db2.gz JEVDLPMUTBTYCC-ISKFKSNPSA-N 1 3 369.597 3.846 20 0 FHADHO OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CNCc1cc2c(cccc2F)[nH]1 ZINC000436400014 944277801 /nfs/dbraw/zinc/27/78/01/944277801.db2.gz HJSNWFASGBWDKC-IBGZPJMESA-N 1 3 367.468 3.554 20 0 FHADHO OC[C@@H]1CCC[N@H+]1Cc1ccccc1CNCc1cc2c(cccc2F)[nH]1 ZINC000436400014 944277807 /nfs/dbraw/zinc/27/78/07/944277807.db2.gz HJSNWFASGBWDKC-IBGZPJMESA-N 1 3 367.468 3.554 20 0 FHADHO CC(C)c1nnc(CCN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000426301102 944412606 /nfs/dbraw/zinc/41/26/06/944412606.db2.gz LLSRIXJEMMBNNH-WMZOPIPTSA-N 1 3 358.555 3.704 20 0 FHADHO CC(C)c1nnc(CCN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000426301102 944412615 /nfs/dbraw/zinc/41/26/15/944412615.db2.gz LLSRIXJEMMBNNH-WMZOPIPTSA-N 1 3 358.555 3.704 20 0 FHADHO COc1ccc([C@H]2CC[NH2+]C[C@@H]2NCCCCOc2ccccc2)cc1 ZINC000414887547 944439857 /nfs/dbraw/zinc/43/98/57/944439857.db2.gz QREVRCCPMHAVPZ-YADHBBJMSA-N 1 3 354.494 3.590 20 0 FHADHO Fc1cccc(CC2([NH2+]C3C[C@H]4CC[C@@H](C3)N4CC3CC3)CCOCC2)c1 ZINC001167978604 944443617 /nfs/dbraw/zinc/44/36/17/944443617.db2.gz PRRJBNLMPONWJG-FRIKZZABSA-N 1 3 372.528 3.912 20 0 FHADHO COc1ccc2c(c1)C[C@H]([NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1)CC2 ZINC000414998200 944620961 /nfs/dbraw/zinc/62/09/61/944620961.db2.gz IBTGMLFCWKCECU-XKCSPQBFSA-N 1 3 368.496 3.675 20 0 FHADHO c1ccc([C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)N2CCCC2)cc1 ZINC001167964561 944625047 /nfs/dbraw/zinc/62/50/47/944625047.db2.gz SOIJCLXNAUVWRC-WVUPVLJSSA-N 1 3 353.554 3.819 20 0 FHADHO c1ccc([C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)N2CCCC2)cc1 ZINC001167964561 944625058 /nfs/dbraw/zinc/62/50/58/944625058.db2.gz SOIJCLXNAUVWRC-WVUPVLJSSA-N 1 3 353.554 3.819 20 0 FHADHO CC(C)[NH+]1CCC(N(C)CCC(=O)Nc2cccc3ccccc32)CC1 ZINC000506611080 944741750 /nfs/dbraw/zinc/74/17/50/944741750.db2.gz KJKJGABBXARUOU-UHFFFAOYSA-N 1 3 353.510 3.973 20 0 FHADHO Cc1nn(-c2ccc(F)cc2F)c(C)c1CN1CCC(C[NH+](C)C)CC1 ZINC000506946643 944805363 /nfs/dbraw/zinc/80/53/63/944805363.db2.gz RNPWOYNASHBZAB-UHFFFAOYSA-N 1 3 362.468 3.541 20 0 FHADHO CCN1CCN(c2ccccc2C[NH2+]C[C@@H]2CCCC(F)(F)C2)CC1 ZINC000500416876 944841928 /nfs/dbraw/zinc/84/19/28/944841928.db2.gz PTJQIGPBZUZAAY-QGZVFWFLSA-N 1 3 351.485 3.744 20 0 FHADHO Clc1ccccc1CN1CCC(C[NH2+]C2CC(n3cccn3)C2)CC1 ZINC000638530176 944930550 /nfs/dbraw/zinc/93/05/50/944930550.db2.gz IDGRMFYWHRNOAH-UHFFFAOYSA-N 1 3 358.917 3.742 20 0 FHADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@@H]3CCC[C@@H](N4CCCC4=O)C3)CC2)C1 ZINC000519001203 945015318 /nfs/dbraw/zinc/01/53/18/945015318.db2.gz SZLWCYYAONPDCQ-AYWYSENESA-N 1 3 361.574 3.553 20 0 FHADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NC[C@@H]3Cc4ccccc4N(C)C3)CC2)C1 ZINC000437097262 945016500 /nfs/dbraw/zinc/01/65/00/945016500.db2.gz PDJJNWKJZDTZNU-XQBPLPMBSA-N 1 3 355.570 3.928 20 0 FHADHO C[C@@H]1CC(N2CCC[C@]3(CCCC(=O)N3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168048165 945394952 /nfs/dbraw/zinc/39/49/52/945394952.db2.gz UXBHMMIOEPABDM-DNVFCKCGSA-N 1 3 369.553 3.563 20 0 FHADHO Cc1ccc2nccc(N3CCC(C[NH+]4C[C@H](C)O[C@@H](C)C4)CC3)c2c1 ZINC000302143666 946142249 /nfs/dbraw/zinc/14/22/49/946142249.db2.gz GJMODDSTPIKEDY-ROUUACIJSA-N 1 3 353.510 3.869 20 0 FHADHO CCOc1cc2nccc(N3CCC[C@@H]4C[N@H+](C)CC[C@H]43)c2cc1OCC ZINC000302752165 946310243 /nfs/dbraw/zinc/31/02/43/946310243.db2.gz UVEPHRFFUJBWCL-VQIMIIECSA-N 1 3 369.509 3.953 20 0 FHADHO CCOc1cc2nccc(N3CCC[C@@H]4C[N@@H+](C)CC[C@H]43)c2cc1OCC ZINC000302752165 946310252 /nfs/dbraw/zinc/31/02/52/946310252.db2.gz UVEPHRFFUJBWCL-VQIMIIECSA-N 1 3 369.509 3.953 20 0 FHADHO COC(=O)c1ccccc1-c1ccc(CN2CCCC23CC[NH+](C)CC3)o1 ZINC000475114634 946429803 /nfs/dbraw/zinc/42/98/03/946429803.db2.gz GINHIJCBUAPTFG-UHFFFAOYSA-N 1 3 368.477 3.793 20 0 FHADHO COC(=O)c1ccccc1-c1ccc(C[N@@H+]2CCCC23CCN(C)CC3)o1 ZINC000475114634 946429808 /nfs/dbraw/zinc/42/98/08/946429808.db2.gz GINHIJCBUAPTFG-UHFFFAOYSA-N 1 3 368.477 3.793 20 0 FHADHO COC(=O)c1ccccc1-c1ccc(C[N@H+]2CCCC23CCN(C)CC3)o1 ZINC000475114634 946429812 /nfs/dbraw/zinc/42/98/12/946429812.db2.gz GINHIJCBUAPTFG-UHFFFAOYSA-N 1 3 368.477 3.793 20 0 FHADHO COC(=O)c1ccc(-c2ccc(CN3CCCC34CC[NH+](C)CC4)o2)cc1 ZINC000475124624 946445352 /nfs/dbraw/zinc/44/53/52/946445352.db2.gz JUCKMLZUBWARPI-UHFFFAOYSA-N 1 3 368.477 3.793 20 0 FHADHO COC(=O)c1ccc(-c2ccc(C[N@@H+]3CCCC34CCN(C)CC4)o2)cc1 ZINC000475124624 946445359 /nfs/dbraw/zinc/44/53/59/946445359.db2.gz JUCKMLZUBWARPI-UHFFFAOYSA-N 1 3 368.477 3.793 20 0 FHADHO COC(=O)c1ccc(-c2ccc(C[N@H+]3CCCC34CCN(C)CC4)o2)cc1 ZINC000475124624 946445360 /nfs/dbraw/zinc/44/53/60/946445360.db2.gz JUCKMLZUBWARPI-UHFFFAOYSA-N 1 3 368.477 3.793 20 0 FHADHO C[C@@H]1CCC[C@](CNC(=O)c2cccc(CN3CCCC3)c2)([NH+](C)C)C1 ZINC000520368262 946466834 /nfs/dbraw/zinc/46/68/34/946466834.db2.gz AEXOWNIUQIEFAC-GCJKJVERSA-N 1 3 357.542 3.523 20 0 FHADHO Cc1cc(F)ccc1[C@H](C)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000840884941 946492746 /nfs/dbraw/zinc/49/27/46/946492746.db2.gz RRFXLPIIGBKGKP-SFHVURJKSA-N 1 3 356.485 3.812 20 0 FHADHO CN1CCN(CC[NH2+]Cc2ccc(-c3ccccc3Cl)o2)CC1(C)C ZINC000441372020 946525520 /nfs/dbraw/zinc/52/55/20/946525520.db2.gz WEWRKQBOHUHTOM-UHFFFAOYSA-N 1 3 361.917 3.716 20 0 FHADHO Cc1ccccc1-n1nccc1C[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000475276747 946796028 /nfs/dbraw/zinc/79/60/28/946796028.db2.gz BQHVMISVIUOMOP-OAQYLSRUSA-N 1 3 360.505 3.792 20 0 FHADHO CCN1CCN(c2ccccc2C[N@@H+]2CC[C@H](C(F)(F)F)[C@H]2C)CC1 ZINC000475284937 946823946 /nfs/dbraw/zinc/82/39/46/946823946.db2.gz KTMSXHYHCJRXAK-WBVHZDCISA-N 1 3 355.448 3.601 20 0 FHADHO CCN1CCN(c2ccccc2C[N@H+]2CC[C@H](C(F)(F)F)[C@H]2C)CC1 ZINC000475284937 946823953 /nfs/dbraw/zinc/82/39/53/946823953.db2.gz KTMSXHYHCJRXAK-WBVHZDCISA-N 1 3 355.448 3.601 20 0 FHADHO CCNC(=O)OC1CCN(C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168060761 946824986 /nfs/dbraw/zinc/82/49/86/946824986.db2.gz YAFJFIUWXHWURN-ROUUACIJSA-N 1 3 373.541 3.639 20 0 FHADHO C[C@H](c1ccccc1Br)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652347798 946878505 /nfs/dbraw/zinc/87/85/05/946878505.db2.gz MHPXRUOJRNZUJW-LDDOYCOJSA-N 1 3 367.331 3.728 20 0 FHADHO CC(C)Oc1ccc(CN2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1Cl ZINC000652350357 946895315 /nfs/dbraw/zinc/89/53/15/946895315.db2.gz UMPZDEBXEFFIRW-SQGPQFPESA-N 1 3 366.933 3.846 20 0 FHADHO C[C@H](c1cccc(Br)c1)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652350448 946895438 /nfs/dbraw/zinc/89/54/38/946895438.db2.gz ZKZKKCSTUSRRJX-KCMWZYNZSA-N 1 3 367.331 3.728 20 0 FHADHO C[C@H]1CCCN(Cc2ccc(C(=O)Nc3ccccc3)cc2)[C@@H]1CC[NH3+] ZINC000652353720 946904302 /nfs/dbraw/zinc/90/43/02/946904302.db2.gz AQDAMXXMPVGQIR-LAUBAEHRSA-N 1 3 351.494 3.888 20 0 FHADHO C[C@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000824955302 947005648 /nfs/dbraw/zinc/00/56/48/947005648.db2.gz NWTIDLOVVYNFQS-DZIBYMRMSA-N 1 3 368.529 3.560 20 0 FHADHO C[C@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824955302 947005657 /nfs/dbraw/zinc/00/56/57/947005657.db2.gz NWTIDLOVVYNFQS-DZIBYMRMSA-N 1 3 368.529 3.560 20 0 FHADHO OC[C@H]1CCC[N@@H+]1Cc1ccccc1CNCc1ccc2occc2c1 ZINC000511925854 947013200 /nfs/dbraw/zinc/01/32/00/947013200.db2.gz IIVPAGBZUKIBLY-OAQYLSRUSA-N 1 3 350.462 3.679 20 0 FHADHO OC[C@H]1CCC[N@H+]1Cc1ccccc1CNCc1ccc2occc2c1 ZINC000511925854 947013209 /nfs/dbraw/zinc/01/32/09/947013209.db2.gz IIVPAGBZUKIBLY-OAQYLSRUSA-N 1 3 350.462 3.679 20 0 FHADHO C[NH+]1CCC(CCN[C@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000536301654 947196388 /nfs/dbraw/zinc/19/63/88/947196388.db2.gz AWMKZHONXFCWEB-INIZCTEOSA-N 1 3 355.295 3.897 20 0 FHADHO CC[C@@H](c1ccccc1)N(CC(=O)NC1CC[NH+](C2CC2)CC1)C(C)C ZINC000662108781 947299769 /nfs/dbraw/zinc/29/97/69/947299769.db2.gz QFTIBCLDPLSDLA-NRFANRHFSA-N 1 3 357.542 3.591 20 0 FHADHO CCOCCC[N@@H+]1CC[C@H](N[C@H]2CCCc3c(OC)cccc32)[C@@H](C)C1 ZINC000249612821 947330790 /nfs/dbraw/zinc/33/07/90/947330790.db2.gz SIRVJQSGVHFBRS-YYWHXJBOSA-N 1 3 360.542 3.799 20 0 FHADHO CCOCCC[N@H+]1CC[C@H](N[C@H]2CCCc3c(OC)cccc32)[C@@H](C)C1 ZINC000249612821 947330805 /nfs/dbraw/zinc/33/08/05/947330805.db2.gz SIRVJQSGVHFBRS-YYWHXJBOSA-N 1 3 360.542 3.799 20 0 FHADHO CC(C)N1CC[C@H](C[NH2+][C@H]2CCc3cc(Br)ccc3C2)C1 ZINC000250479988 947340231 /nfs/dbraw/zinc/34/02/31/947340231.db2.gz BSYOXSGSKJPGGN-KDOFPFPSSA-N 1 3 351.332 3.626 20 0 FHADHO O[C@@H]1CCN(C2CC[NH+](CCCCc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000662146868 947369732 /nfs/dbraw/zinc/36/97/32/947369732.db2.gz CCQFBHSWZMHWNC-QGZVFWFLSA-N 1 3 371.352 3.847 20 0 FHADHO C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)cc1 ZINC000523853911 947655655 /nfs/dbraw/zinc/65/56/55/947655655.db2.gz ZSGGFGURPPMNHG-LJQANCHMSA-N 1 3 369.484 3.738 20 0 FHADHO COc1cc(CN(C)Cc2cccc3c2CC[NH2+]C3)ccc1OC(F)F ZINC000662248877 947671641 /nfs/dbraw/zinc/67/16/41/947671641.db2.gz DNEGAVRINVOBPR-UHFFFAOYSA-N 1 3 362.420 3.574 20 0 FHADHO COc1ccc(-c2cc(CN3CCC([C@H]4CCC[NH2+]C4)CC3)on2)cc1 ZINC000662293746 947715971 /nfs/dbraw/zinc/71/59/71/947715971.db2.gz MZSLRIUQYVRSRA-SFHVURJKSA-N 1 3 355.482 3.562 20 0 FHADHO Cc1ccc(Cl)cc1NC(=O)[C@H](C)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662298455 947720740 /nfs/dbraw/zinc/72/07/40/947720740.db2.gz WEKFSKVIMJGHDA-RDJZCZTQSA-N 1 3 363.933 3.687 20 0 FHADHO CCN(C(=O)c1cccc2c1CNC2)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000662503454 947873321 /nfs/dbraw/zinc/87/33/21/947873321.db2.gz UISGBFOBUSEULT-XLIONFOSSA-N 1 3 363.505 3.587 20 0 FHADHO CCN(C(=O)c1cccc2c1CNC2)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000662503454 947873324 /nfs/dbraw/zinc/87/33/24/947873324.db2.gz UISGBFOBUSEULT-XLIONFOSSA-N 1 3 363.505 3.587 20 0 FHADHO O=C(C[C@@H]1NCc2ccccc21)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000662525963 947888569 /nfs/dbraw/zinc/88/85/69/947888569.db2.gz NEQOCAYSSIFHFC-VXKWHMMOSA-N 1 3 363.505 3.564 20 0 FHADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCSc3c(F)cccc32)C[C@H](C)O1 ZINC000246965268 947950450 /nfs/dbraw/zinc/95/04/50/947950450.db2.gz JCHHMQVPDSAIPX-DAYGRLMNSA-N 1 3 352.519 3.842 20 0 FHADHO CC[NH+](CC)CCC[C@@H](C)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC001167827821 948159970 /nfs/dbraw/zinc/15/99/70/948159970.db2.gz XUNQLQBCYZJPRV-GOSISDBHSA-N 1 3 351.966 3.968 20 0 FHADHO C[C@H](N)C[NH2+][C@H]1CCCc2c(Br)cc(Br)cc21 ZINC000643528011 948180363 /nfs/dbraw/zinc/18/03/63/948180363.db2.gz XIPXWDSVIXPTIJ-SDBXPKJASA-N 1 3 362.109 3.526 20 0 FHADHO FC(F)(F)c1cnc2c(c1)[C@H]([NH2+]C1CCN(CC3CC3)CC1)CCC2 ZINC000427601737 948359858 /nfs/dbraw/zinc/35/98/58/948359858.db2.gz BNSWHGZRBCAMQU-GOSISDBHSA-N 1 3 353.432 3.942 20 0 FHADHO CC[C@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(Br)cc1 ZINC000432414217 948367350 /nfs/dbraw/zinc/36/73/50/948367350.db2.gz JWBSKYANUOGHCC-YJBOKZPZSA-N 1 3 369.347 3.991 20 0 FHADHO CC[C@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(Br)cc1 ZINC000432414217 948367358 /nfs/dbraw/zinc/36/73/58/948367358.db2.gz JWBSKYANUOGHCC-YJBOKZPZSA-N 1 3 369.347 3.991 20 0 FHADHO CC[NH+](CC)CCC[C@@H](C)N1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C ZINC001167842485 948386107 /nfs/dbraw/zinc/38/61/07/948386107.db2.gz XYZUULAUCVITCR-SQNIBIBYSA-N 1 3 355.567 3.827 20 0 FHADHO CC[NH+](CC)CCC[C@H](C)N1CCN(C[C@@H](OC)c2ccccc2)CC1 ZINC001167842410 948388099 /nfs/dbraw/zinc/38/80/99/948388099.db2.gz WYICSCVBDRJIFE-RBBKRZOGSA-N 1 3 361.574 3.502 20 0 FHADHO Cc1c([C@H](C)[NH2+]C[C@@H]2CCN(C3CC3)C2)cnn1-c1cc(C)ccc1C ZINC000152374848 948425162 /nfs/dbraw/zinc/42/51/62/948425162.db2.gz YRFSCSKDHLRIMY-HKUYNNGSSA-N 1 3 352.526 3.932 20 0 FHADHO C[C@H]1C[N@H+](CCCN[C@@H]2CCc3ccc(OC(F)(F)F)cc32)CCCO1 ZINC000432441093 948434074 /nfs/dbraw/zinc/43/40/74/948434074.db2.gz JONUQWJOUWUXER-KBXCAEBGSA-N 1 3 372.431 3.663 20 0 FHADHO C[C@H]1C[N@@H+](CCCN[C@@H]2CCc3ccc(OC(F)(F)F)cc32)CCCO1 ZINC000432441093 948434078 /nfs/dbraw/zinc/43/40/78/948434078.db2.gz JONUQWJOUWUXER-KBXCAEBGSA-N 1 3 372.431 3.663 20 0 FHADHO C[C@H]([NH2+]CCC(=O)Nc1ccccc1F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000663693892 948650067 /nfs/dbraw/zinc/65/00/67/948650067.db2.gz BMFBESWEDWJTKF-HKUYNNGSSA-N 1 3 369.484 3.655 20 0 FHADHO COc1ccccc1/C=C\CN1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000512187387 948738198 /nfs/dbraw/zinc/73/81/98/948738198.db2.gz QEGILXJCQOMDEQ-CIVUBALASA-N 1 3 358.526 3.530 20 0 FHADHO COc1ccccc1/C=C\CN1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000512187387 948738202 /nfs/dbraw/zinc/73/82/02/948738202.db2.gz QEGILXJCQOMDEQ-CIVUBALASA-N 1 3 358.526 3.530 20 0 FHADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(Br)cc2F)C[C@@H](C)O1 ZINC000067452855 948791896 /nfs/dbraw/zinc/79/18/96/948791896.db2.gz BRGGIQFONYKAGP-ZIAGYGMSSA-N 1 3 373.310 3.567 20 0 FHADHO CC(C)N1CCCN(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC1 ZINC000069654370 568096942 /nfs/dbraw/zinc/09/69/42/568096942.db2.gz YFJFVWRIPGTGFC-UHFFFAOYSA-N 1 3 372.557 3.663 20 0 FHADHO CC1(C)CN(Cc2cccc(C[N@@H+]3CCCOC(C)(C)C3)c2)CCCO1 ZINC000605000029 568513256 /nfs/dbraw/zinc/51/32/56/568513256.db2.gz HUCADEZDIOKGKO-UHFFFAOYSA-N 1 3 360.542 3.688 20 0 FHADHO CC1(C)CN(Cc2cccc(C[N@H+]3CCCOC(C)(C)C3)c2)CCCO1 ZINC000605000029 568513258 /nfs/dbraw/zinc/51/32/58/568513258.db2.gz HUCADEZDIOKGKO-UHFFFAOYSA-N 1 3 360.542 3.688 20 0 FHADHO Cc1cc(C)nc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c1 ZINC001164792090 721490067 /nfs/dbraw/zinc/49/00/67/721490067.db2.gz GHXJVJMDEXVXNC-UHFFFAOYSA-N 1 3 350.510 3.974 20 0 FHADHO Cc1cc(C)nc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c1 ZINC001164792090 721490069 /nfs/dbraw/zinc/49/00/69/721490069.db2.gz GHXJVJMDEXVXNC-UHFFFAOYSA-N 1 3 350.510 3.974 20 0 FHADHO C[C@H]1Oc2cc(F)ccc2[C@H]1[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000579749326 927285213 /nfs/dbraw/zinc/28/52/13/927285213.db2.gz QMWIEUWBRAEQNL-ZHRRBRCNSA-N 1 3 354.469 3.944 20 0 FHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC(C)(C)c4ccccc43)CC2)CC1 ZINC000654887220 927498067 /nfs/dbraw/zinc/49/80/67/927498067.db2.gz AUSOSIPJUKIVNQ-UHFFFAOYSA-N 1 3 369.553 3.507 20 0 FHADHO CCCN1CCN(c2ccccc2C[NH2+]CCC[C@@H]2CCCCO2)CC1 ZINC000544837268 927982712 /nfs/dbraw/zinc/98/27/12/927982712.db2.gz MGIJHAKLYYMCJF-NRFANRHFSA-N 1 3 359.558 3.658 20 0 FHADHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)Nc2cccc3ccccc32)C[C@H]1C ZINC000533447273 928905367 /nfs/dbraw/zinc/90/53/67/928905367.db2.gz BENXUQJRKZGRLW-IEBWSBKVSA-N 1 3 353.510 3.973 20 0 FHADHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)Nc2cccc3ccccc32)C[C@H]1C ZINC000533447273 928905378 /nfs/dbraw/zinc/90/53/78/928905378.db2.gz BENXUQJRKZGRLW-IEBWSBKVSA-N 1 3 353.510 3.973 20 0 FHADHO OC1CC[NH+](Cc2ccc(CNCc3cc(F)cc(Cl)c3)cc2)CC1 ZINC000274961514 929080225 /nfs/dbraw/zinc/08/02/25/929080225.db2.gz GTGVZFCYDWBBLB-UHFFFAOYSA-N 1 3 362.876 3.726 20 0 FHADHO CCN1CCN(C[C@@H](C)C[NH2+][C@H](c2ccccc2)c2ccc(C)cc2)CC1 ZINC000180440856 929511890 /nfs/dbraw/zinc/51/18/90/929511890.db2.gz VLXYEMYVKVIYPM-XUZZJYLKSA-N 1 3 365.565 3.948 20 0 FHADHO Cc1ccc([C@H](CNC(=O)Nc2ccccc2CC[NH+](C)C)N(C)C)cc1 ZINC000275646495 929695585 /nfs/dbraw/zinc/69/55/85/929695585.db2.gz MGTOYEMCUNJRCM-NRFANRHFSA-N 1 3 368.525 3.524 20 0 FHADHO CCOCCCN1CC[C@H]([NH2+]Cc2cccc3c2OC(C)(C)C3)[C@H](C)C1 ZINC000119292278 931056870 /nfs/dbraw/zinc/05/68/70/931056870.db2.gz IIZZGXVWNPNILE-XLIONFOSSA-N 1 3 360.542 3.627 20 0 FHADHO CO[C@@H]1CCCN(CC(C[N@@H+]2CCC[C@@H](OC)CC2)c2ccccc2)CC1 ZINC000639582237 931567196 /nfs/dbraw/zinc/56/71/96/931567196.db2.gz FOYGYUDYXIWKPS-DHIUTWEWSA-N 1 3 374.569 3.772 20 0 FHADHO CO[C@@H]1CCCN(CC(C[N@H+]2CCC[C@@H](OC)CC2)c2ccccc2)CC1 ZINC000639582237 931567200 /nfs/dbraw/zinc/56/72/00/931567200.db2.gz FOYGYUDYXIWKPS-DHIUTWEWSA-N 1 3 374.569 3.772 20 0 FHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(Cl)cc3C)CC2)CC1 ZINC000581378621 931923656 /nfs/dbraw/zinc/92/36/56/931923656.db2.gz OVOLUMZUGCFAOS-UHFFFAOYSA-N 1 3 363.933 3.783 20 0 FHADHO C[C@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2OC(F)F)CCN1C ZINC000090721358 933106021 /nfs/dbraw/zinc/10/60/21/933106021.db2.gz DUBZYVCZMMSBTC-GXFFZTMASA-N 1 3 363.246 3.623 20 0 FHADHO C[C@@H]1C[N@H+](CC(C)(C)CN(C)Cc2ccccc2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000430869090 933343311 /nfs/dbraw/zinc/34/33/11/933343311.db2.gz WYPYVIHTQYDEDE-TXTKFYIRSA-N 1 3 374.569 3.803 20 0 FHADHO C[C@@H]1C[N@@H+](CC(C)(C)CN(C)Cc2ccccc2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000430869090 933343322 /nfs/dbraw/zinc/34/33/22/933343322.db2.gz WYPYVIHTQYDEDE-TXTKFYIRSA-N 1 3 374.569 3.803 20 0 FHADHO C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)N1CCC([C@H](C)[NH3+])CC1 ZINC000430924039 933422812 /nfs/dbraw/zinc/42/28/12/933422812.db2.gz HOMAWKLVYNIDPZ-RWMBFGLXSA-N 1 3 372.340 3.618 20 0 FHADHO Cc1ccc([C@H](NCc2cccc(C(=O)NCC[NH+](C)C)c2)C2CC2)cc1 ZINC000091318383 933811082 /nfs/dbraw/zinc/81/10/82/933811082.db2.gz RTFVSXXKVOSJGS-QFIPXVFZSA-N 1 3 365.521 3.527 20 0 FHADHO Cc1ccc2cc(C[NH2+]Cc3ccc(CN4CCN(C)CC4)cc3)[nH]c2c1 ZINC000657318206 935182958 /nfs/dbraw/zinc/18/29/58/935182958.db2.gz NCJCIBXKCXHFGD-UHFFFAOYSA-N 1 3 362.521 3.514 20 0 FHADHO C[C@H](Cc1ccsc1)[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000544024232 935251685 /nfs/dbraw/zinc/25/16/85/935251685.db2.gz WDWDNZBMYDPXMW-KZNAEPCWSA-N 1 3 350.572 3.890 20 0 FHADHO CCc1cccc2cc(CNC3CC[NH+](C4CCN(C)CC4)CC3)oc21 ZINC000657337731 935266728 /nfs/dbraw/zinc/26/67/28/935266728.db2.gz IBZFJDAHLLFPQP-UHFFFAOYSA-N 1 3 355.526 3.643 20 0 FHADHO C[C@H]1CSCCCN1Cc1cncc(C[N@@H+]2CCCSC[C@@H]2C)c1 ZINC000934297140 935286713 /nfs/dbraw/zinc/28/67/13/935286713.db2.gz AKFSMFMTYBKUDZ-IRXDYDNUSA-N 1 3 365.612 3.736 20 0 FHADHO C[C@H]1CSCCCN1Cc1cncc(C[N@H+]2CCCSC[C@@H]2C)c1 ZINC000934297140 935286718 /nfs/dbraw/zinc/28/67/18/935286718.db2.gz AKFSMFMTYBKUDZ-IRXDYDNUSA-N 1 3 365.612 3.736 20 0 FHADHO CC(C)C[C@H](C)Oc1cc(C[NH2+]Cc2ccnn2-c2ccncc2)ccn1 ZINC000657356696 935339822 /nfs/dbraw/zinc/33/98/22/935339822.db2.gz PKTKHVYMISCHPI-KRWDZBQOSA-N 1 3 365.481 3.766 20 0 FHADHO CC(C)C[C@H](C)Oc1cc(CNCc2ccnn2-c2cc[nH+]cc2)ccn1 ZINC000657356696 935339827 /nfs/dbraw/zinc/33/98/27/935339827.db2.gz PKTKHVYMISCHPI-KRWDZBQOSA-N 1 3 365.481 3.766 20 0 FHADHO CC[NH+](CC)CCOc1ccc(NC(=O)[C@@H]2CCCN2C2CCCC2)cc1 ZINC000439933442 945106980 /nfs/dbraw/zinc/10/69/80/945106980.db2.gz PRZMPJVKXBWNRR-NRFANRHFSA-N 1 3 373.541 3.753 20 0 FHADHO CCC[C@@H]1[C@H](C)CCCN1C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000582429032 935689226 /nfs/dbraw/zinc/68/92/26/935689226.db2.gz HWKVJDYMLCAFLJ-WIYYLYMNSA-N 1 3 363.590 3.610 20 0 FHADHO CCCOc1ccc(CNCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c(C)c1 ZINC000657431713 935717868 /nfs/dbraw/zinc/71/78/68/935717868.db2.gz JLFSEONLQZLXBG-QFIPXVFZSA-N 1 3 368.521 3.640 20 0 FHADHO CCCOc1ccc(CNCc2ccccc2C[N@H+]2CC[C@H](O)C2)c(C)c1 ZINC000657431713 935717871 /nfs/dbraw/zinc/71/78/71/935717871.db2.gz JLFSEONLQZLXBG-QFIPXVFZSA-N 1 3 368.521 3.640 20 0 FHADHO CCOc1cccc(CN2CC[C@H](C3CC[NH+](C)CC3)C2)c1OC(F)F ZINC000582514070 935785986 /nfs/dbraw/zinc/78/59/86/935785986.db2.gz JFIYBQKTPLQNGR-INIZCTEOSA-N 1 3 368.468 3.850 20 0 FHADHO Cc1ccc2c(c1)OCCC[C@@H]2NC1CC[NH+](CCc2ccncc2)CC1 ZINC000152826931 935869560 /nfs/dbraw/zinc/86/95/60/935869560.db2.gz YOCQYNRJUOALNI-QFIPXVFZSA-N 1 3 365.521 3.900 20 0 FHADHO C[C@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)c1ccc2c(c1)CCO2 ZINC000178619975 935891094 /nfs/dbraw/zinc/89/10/94/935891094.db2.gz WGAICUICZWDGHB-AZUAARDMSA-N 1 3 350.506 3.837 20 0 FHADHO c1ccc(N2CCN(CCCC[NH2+][C@@H]3CCCc4cccnc43)CC2)cc1 ZINC000684954964 935897717 /nfs/dbraw/zinc/89/77/17/935897717.db2.gz FTRIROAAZPDOPI-JOCHJYFZSA-N 1 3 364.537 3.651 20 0 FHADHO CC(C)[NH+]1CCC(NC(=O)CN(CC2CCC2)[C@@H](C)c2ccccc2)CC1 ZINC000077372449 936046200 /nfs/dbraw/zinc/04/62/00/936046200.db2.gz NVDUTMGUHPEQCF-IBGZPJMESA-N 1 3 371.569 3.839 20 0 FHADHO CCCCOc1ccc(CNCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000657593749 936074363 /nfs/dbraw/zinc/07/43/63/936074363.db2.gz KFRINZQUKMFTIW-JOCHJYFZSA-N 1 3 368.521 3.722 20 0 FHADHO CCCCOc1ccc(CNCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000657593749 936074367 /nfs/dbraw/zinc/07/43/67/936074367.db2.gz KFRINZQUKMFTIW-JOCHJYFZSA-N 1 3 368.521 3.722 20 0 FHADHO CC(C)COc1ccc(CNCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000657595328 936075262 /nfs/dbraw/zinc/07/52/62/936075262.db2.gz OXRWCGPIKMDHFD-JOCHJYFZSA-N 1 3 368.521 3.578 20 0 FHADHO CC(C)COc1ccc(CNCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000657595328 936075266 /nfs/dbraw/zinc/07/52/66/936075266.db2.gz OXRWCGPIKMDHFD-JOCHJYFZSA-N 1 3 368.521 3.578 20 0 FHADHO c1cc(-c2n[nH]cc2C[NH2+]CC2CCN(Cc3ccncc3)CC2)cs1 ZINC000657613962 936099984 /nfs/dbraw/zinc/09/99/84/936099984.db2.gz ZDWSHJDMAFDCLW-UHFFFAOYSA-N 1 3 367.522 3.535 20 0 FHADHO COc1ccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1Cl ZINC000657613819 936100126 /nfs/dbraw/zinc/10/01/26/936100126.db2.gz RGYNHSYSWJVDDS-UHFFFAOYSA-N 1 3 359.901 3.745 20 0 FHADHO CN(C)Cc1cc(C[NH2+][C@@H]2CCN(C)[C@H](c3ccccc3)C2)ccc1F ZINC000569631669 938300602 /nfs/dbraw/zinc/30/06/02/938300602.db2.gz GUAOZYHAZQOPNR-IRLDBZIGSA-N 1 3 355.501 3.812 20 0 FHADHO CCC[C@H](NCCC[NH+]1CCC(O)CC1)c1cccc(C(F)(F)F)c1 ZINC000151375892 938534777 /nfs/dbraw/zinc/53/47/77/938534777.db2.gz QRYCAWFMUYBJRV-SFHVURJKSA-N 1 3 358.448 3.983 20 0 FHADHO COc1ccc([C@H](C)NC2CC[NH+](C[C@@H]3CCOC3)CC2)c2ccccc12 ZINC000132860942 938545508 /nfs/dbraw/zinc/54/55/08/938545508.db2.gz NRJOUVHPROPCGO-ROUUACIJSA-N 1 3 368.521 4.000 20 0 FHADHO CN(CCNC(=O)C1CC[NH+](CC2CCCCC2)CC1)Cc1ccccc1 ZINC000081156059 938717049 /nfs/dbraw/zinc/71/70/49/938717049.db2.gz AXNPICALRZBTJG-UHFFFAOYSA-N 1 3 371.569 3.527 20 0 FHADHO CN(CCNC(=O)C1CC[NH+](CCC2CCCC2)CC1)Cc1ccccc1 ZINC000081156107 938717135 /nfs/dbraw/zinc/71/71/35/938717135.db2.gz GVGPMDGHOWBVHT-UHFFFAOYSA-N 1 3 371.569 3.527 20 0 FHADHO CC(C)[C@H](NCc1ccccc1C[NH+]1CCC(O)CC1)c1cccnc1 ZINC000091367834 938900505 /nfs/dbraw/zinc/90/05/05/938900505.db2.gz LFNQGHBSSTVRLO-QFIPXVFZSA-N 1 3 353.510 3.525 20 0 FHADHO c1nc(-c2ccccn2)sc1C[N@@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000092067016 938910469 /nfs/dbraw/zinc/91/04/69/938910469.db2.gz BEAMWHXXHFCXGS-BEFAXECRSA-N 1 3 354.523 3.654 20 0 FHADHO c1nc(-c2ccccn2)sc1C[N@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000092067016 938910470 /nfs/dbraw/zinc/91/04/70/938910470.db2.gz BEAMWHXXHFCXGS-BEFAXECRSA-N 1 3 354.523 3.654 20 0 FHADHO Cc1cccc(N2CCN(CCCC[NH2+][C@@H](C)c3ccc(F)cn3)CC2)c1 ZINC000092737929 938919050 /nfs/dbraw/zinc/91/90/50/938919050.db2.gz IZYSEMFMUDQCDM-IBGZPJMESA-N 1 3 370.516 3.782 20 0 FHADHO CCn1nc(C)c(C[N@H+](CC)C[C@H]2CCN(Cc3ccccc3)C2)c1C ZINC000093818767 938930395 /nfs/dbraw/zinc/93/03/95/938930395.db2.gz UORKKMUTUYOBNH-OAQYLSRUSA-N 1 3 354.542 3.864 20 0 FHADHO CCn1nc(C)c(C[N@@H+](CC)C[C@H]2CCN(Cc3ccccc3)C2)c1C ZINC000093818767 938930396 /nfs/dbraw/zinc/93/03/96/938930396.db2.gz UORKKMUTUYOBNH-OAQYLSRUSA-N 1 3 354.542 3.864 20 0 FHADHO CN(Cc1ccc(Oc2ccccc2)o1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457750 938987958 /nfs/dbraw/zinc/98/79/58/938987958.db2.gz LYDJMYYISHNDKM-IBGZPJMESA-N 1 3 369.509 3.672 20 0 FHADHO C[C@@H](Oc1ccc([C@H](C)[NH2+]CC2(O)CCN(C)CC2)cc1)c1ccccc1 ZINC000657890951 938990191 /nfs/dbraw/zinc/99/01/91/938990191.db2.gz XTFSAKHTMBIIKE-RBUKOAKNSA-N 1 3 368.521 3.934 20 0 FHADHO Cc1cccc2nc(CCNC3CC[NH+]([C@@H]4CCC[C@H](C)C4)CC3)cn21 ZINC000647365070 938996106 /nfs/dbraw/zinc/99/61/06/938996106.db2.gz YHAWUQCKZMIPDR-LAUBAEHRSA-N 1 3 354.542 3.818 20 0 FHADHO C[C@H]([NH2+]C[C@@H]1CN(C)C[C@H]1c1ccccc1)c1cncc(Br)c1 ZINC000658041849 939019826 /nfs/dbraw/zinc/01/98/26/939019826.db2.gz JSOFFNJQZDTMCP-YJLNNSPDSA-N 1 3 374.326 3.840 20 0 FHADHO C[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1cc2cnccc2o1 ZINC000658036977 939020188 /nfs/dbraw/zinc/02/01/88/939020188.db2.gz SRLWPYUNYSBCGU-QGZVFWFLSA-N 1 3 365.477 3.506 20 0 FHADHO C[C@@H](CN(C)CCC[NH+](C)C)N[C@@H](C)c1ccc(-c2ccccc2)cn1 ZINC000658109193 939028822 /nfs/dbraw/zinc/02/88/22/939028822.db2.gz UEVFAIOPIHARSY-OALUTQOASA-N 1 3 354.542 3.671 20 0 FHADHO C[C@@H](NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cnc2ccsc2c1 ZINC000658139549 939043021 /nfs/dbraw/zinc/04/30/21/939043021.db2.gz MZGHPBGPDPLBCK-BEFAXECRSA-N 1 3 367.518 3.714 20 0 FHADHO C[C@@H](NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cnc2ccsc2c1 ZINC000658139549 939043025 /nfs/dbraw/zinc/04/30/25/939043025.db2.gz MZGHPBGPDPLBCK-BEFAXECRSA-N 1 3 367.518 3.714 20 0 FHADHO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658163730 939052234 /nfs/dbraw/zinc/05/22/34/939052234.db2.gz AJRBLZMCSGNIIZ-GCJKJVERSA-N 1 3 353.510 3.659 20 0 FHADHO CC(C)CO[C@@H]1C[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C1(C)C ZINC000658165322 939053915 /nfs/dbraw/zinc/05/39/15/939053915.db2.gz ILTRZGCBOVEZCV-NHCUHLMSSA-N 1 3 359.558 3.723 20 0 FHADHO COc1cccc2c1CCC[C@@H]2[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658168370 939055453 /nfs/dbraw/zinc/05/54/53/939055453.db2.gz WKXJQFDXUIXAHE-QFIPXVFZSA-N 1 3 365.521 3.969 20 0 FHADHO Cn1cc2c(n1)CCC[C@@H]2[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000658316302 939109257 /nfs/dbraw/zinc/10/92/57/939109257.db2.gz DSCFYUADYBXNKG-CTNGQTDRSA-N 1 3 364.537 3.689 20 0 FHADHO COC[C@@H](NCC1CC[NH+](CC2CC2)CC1)c1cccc(Cl)c1F ZINC000658352357 939123856 /nfs/dbraw/zinc/12/38/56/939123856.db2.gz FKCCQVWHZGZMFE-GOSISDBHSA-N 1 3 354.897 3.878 20 0 FHADHO C[C@H](NCC1CC[NH+](CC2CC2)CC1)c1nc2ccc(Cl)cc2n1C ZINC000658357139 939125326 /nfs/dbraw/zinc/12/53/26/939125326.db2.gz RLUKSVUZTSEMKZ-AWEZNQCLSA-N 1 3 360.933 3.999 20 0 FHADHO COc1cccc2c1CCC[C@H]2NCc1ccccc1OCC[NH+](C)C ZINC000194873948 945231261 /nfs/dbraw/zinc/23/12/61/945231261.db2.gz XHDZBIIFBPJKBB-HXUWFJFHSA-N 1 3 354.494 3.803 20 0 FHADHO OC1CC[NH+](Cc2ccc(CN[C@@H]3CCc4ccc(F)cc43)cc2)CC1 ZINC000132713291 939897692 /nfs/dbraw/zinc/89/76/92/939897692.db2.gz MYGAGHSKPZKNGF-JOCHJYFZSA-N 1 3 354.469 3.560 20 0 FHADHO C[C@H](CCO)C1(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CCC1 ZINC000507536274 945295751 /nfs/dbraw/zinc/29/57/51/945295751.db2.gz WLXJOJWILQQYKX-ZHHKINOHSA-N 1 3 356.554 3.675 20 0 FHADHO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCC[C@@H]1[NH2+]CCCN1CCCC1 ZINC000177356663 940141673 /nfs/dbraw/zinc/14/16/73/940141673.db2.gz QXTGSLSDLYFIKC-GBESFXJTSA-N 1 3 365.562 3.630 20 0 FHADHO Cc1ccsc1[C@H](CO)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000507520571 945299702 /nfs/dbraw/zinc/29/97/02/945299702.db2.gz RLKFOFNCZSCSJR-WTGUMLROSA-N 1 3 356.535 3.590 20 0 FHADHO CN(C)C[C@H](N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccccc1 ZINC000507526213 945303184 /nfs/dbraw/zinc/30/31/84/945303184.db2.gz LKWNBYIRLRAFQE-XQUALCHDSA-N 1 3 363.549 3.790 20 0 FHADHO CN(C)C[C@H](N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccccc1 ZINC000507526213 945303193 /nfs/dbraw/zinc/30/31/93/945303193.db2.gz LKWNBYIRLRAFQE-XQUALCHDSA-N 1 3 363.549 3.790 20 0 FHADHO CC(C)N1CCC([NH2+][C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000174295972 940718290 /nfs/dbraw/zinc/71/82/90/940718290.db2.gz MITOHHHXWIPYAN-ZWKOTPCHSA-N 1 3 371.569 3.594 20 0 FHADHO CC(C)N1CCC([NH2+][C@@H](C)C(=O)N[C@@H](C)c2cccc3ccccc32)CC1 ZINC000174295467 940718345 /nfs/dbraw/zinc/71/83/45/940718345.db2.gz REDDBTNEJZAIEF-ROUUACIJSA-N 1 3 367.537 3.868 20 0 FHADHO CCn1cc([C@@H]2OCC[C@H]2CNC2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)cn1 ZINC000414240710 940821310 /nfs/dbraw/zinc/82/13/10/940821310.db2.gz FBRCUJGMXIQUMG-JZZBYWGLSA-N 1 3 374.573 3.613 20 0 FHADHO Cc1ccc(CNCCCC[NH+]2CCC(Cc3ccccc3)CC2)nn1 ZINC000414356021 941039769 /nfs/dbraw/zinc/03/97/69/941039769.db2.gz ZQNBJRLWMSNXAD-UHFFFAOYSA-N 1 3 352.526 3.610 20 0 FHADHO CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@H](c2ccccc2)N(C)C)cc1 ZINC000511509294 941050886 /nfs/dbraw/zinc/05/08/86/941050886.db2.gz APNPJXFKQSFATG-JOCHJYFZSA-N 1 3 367.537 3.951 20 0 FHADHO CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@H](c2ccccc2)N(C)C)cc1 ZINC000511509294 941050888 /nfs/dbraw/zinc/05/08/88/941050888.db2.gz APNPJXFKQSFATG-JOCHJYFZSA-N 1 3 367.537 3.951 20 0 FHADHO COc1ccc(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(OC(F)F)c1 ZINC000647544062 941065928 /nfs/dbraw/zinc/06/59/28/941065928.db2.gz VYOCZKCJTQPFEO-GJZGRUSLSA-N 1 3 354.441 3.508 20 0 FHADHO Cc1cc(C[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)ccc1C(F)(F)F ZINC000414388413 941081090 /nfs/dbraw/zinc/08/10/90/941081090.db2.gz CBSJCYQNOJSMDW-INIZCTEOSA-N 1 3 356.432 3.604 20 0 FHADHO O[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1ccccc1F ZINC000180112134 941352412 /nfs/dbraw/zinc/35/24/12/941352412.db2.gz MFBKMTLBIIINQM-MFXLTOHQSA-N 1 3 354.469 3.644 20 0 FHADHO [NH3+]C[C@@H]1CC[C@@H](NCc2csc(COc3ccc(Cl)cc3)n2)C1 ZINC000415042593 941563002 /nfs/dbraw/zinc/56/30/02/941563002.db2.gz RCNQLPUQGZKVRI-TZMCWYRMSA-N 1 3 351.903 3.593 20 0 FHADHO [NH3+]CCC[C@H](NCc1cnc2ccc(Br)cn12)c1ccccc1 ZINC000415045872 941569440 /nfs/dbraw/zinc/56/94/40/941569440.db2.gz BXNVQDKQKORFCR-KRWDZBQOSA-N 1 3 373.298 3.667 20 0 FHADHO Fc1cc(CN[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)ccc1-n1ccnc1 ZINC000415075459 941586746 /nfs/dbraw/zinc/58/67/46/941586746.db2.gz BLBVXKMPVMGJQH-UYAOXDASSA-N 1 3 350.441 3.594 20 0 FHADHO Cc1cc(CN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c(OC(F)F)cc1C ZINC000415129440 941622643 /nfs/dbraw/zinc/62/26/43/941622643.db2.gz UWZLTAPYMXIQPU-ROUUACIJSA-N 1 3 368.468 3.623 20 0 FHADHO CC(C)(C)OC(=O)N1CCC(CC[NH2+]C2CCN(C(C)(C)C)CC2)CC1 ZINC000695275351 941813171 /nfs/dbraw/zinc/81/31/71/941813171.db2.gz TZKZTWBWZLMIGH-UHFFFAOYSA-N 1 3 367.578 3.876 20 0 FHADHO CCN(Cc1ccc(C[NH+](C)C)cc1)Cn1cnc2cc(F)c(F)cc21 ZINC000066795625 941857158 /nfs/dbraw/zinc/85/71/58/941857158.db2.gz WJRHZZHNNFVSQG-UHFFFAOYSA-N 1 3 358.436 3.856 20 0 FHADHO C[C@H]([NH2+]C1CCN(CCC(F)(F)F)CC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000513408493 941902873 /nfs/dbraw/zinc/90/28/73/941902873.db2.gz NKOZPFBNPQQEQY-JKSUJKDBSA-N 1 3 361.496 3.646 20 0 FHADHO O[C@@H](C[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1)c1cccc(F)c1 ZINC000311991134 941938986 /nfs/dbraw/zinc/93/89/86/941938986.db2.gz PZCLUCMDTAMLSS-UGKGYDQZSA-N 1 3 356.485 3.751 20 0 FHADHO C[C@@H]1C[C@@H]([NH2+]C[C@H](c2ccccc2)N(C)C)CCN1Cc1ccccc1 ZINC000513462629 941941269 /nfs/dbraw/zinc/94/12/69/941941269.db2.gz FVJMQKWQFQCPSP-WTIAFYNJSA-N 1 3 351.538 3.932 20 0 FHADHO COc1cc([C@H](C)N(C)C2CC[NH+](CCc3ccncc3)CC2)ccc1F ZINC000377926735 942071935 /nfs/dbraw/zinc/07/19/35/942071935.db2.gz YCJFZZYWGSQUIJ-KRWDZBQOSA-N 1 3 371.500 3.929 20 0 FHADHO CC[NH2+]Cc1ccccc1NC(=O)NC[C@H](c1ccc(CC)cc1)N(C)C ZINC000415941016 942171876 /nfs/dbraw/zinc/17/18/76/942171876.db2.gz FZZNMDRZLAQRDO-OAQYLSRUSA-N 1 3 368.525 3.783 20 0 FHADHO CCN1CCC([N@@H+]2CCCN(Cc3cnc4ccc(C)cc4c3)CC2)CC1 ZINC000420973006 942286103 /nfs/dbraw/zinc/28/61/03/942286103.db2.gz BTDFGXZCUAUQBH-UHFFFAOYSA-N 1 3 366.553 3.535 20 0 FHADHO CCN1CCC([N@H+]2CCCN(Cc3cnc4ccc(C)cc4c3)CC2)CC1 ZINC000420973006 942286107 /nfs/dbraw/zinc/28/61/07/942286107.db2.gz BTDFGXZCUAUQBH-UHFFFAOYSA-N 1 3 366.553 3.535 20 0 FHADHO CC[NH+]1CCC(N2CCCN(Cc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000420975956 942287840 /nfs/dbraw/zinc/28/78/40/942287840.db2.gz GKAAARMHRGAVGR-UHFFFAOYSA-N 1 3 369.475 3.697 20 0 FHADHO CCC[N@H+](CCCN1CCN(C(C)C)CC1)[C@H](C)c1ccccc1OC ZINC000501105696 942309589 /nfs/dbraw/zinc/30/95/89/942309589.db2.gz LACCXMGRWLFBFR-HXUWFJFHSA-N 1 3 361.574 3.884 20 0 FHADHO CCC[N@@H+](CCCN1CCN(C(C)C)CC1)[C@H](C)c1ccccc1OC ZINC000501105696 942309592 /nfs/dbraw/zinc/30/95/92/942309592.db2.gz LACCXMGRWLFBFR-HXUWFJFHSA-N 1 3 361.574 3.884 20 0 FHADHO C[NH2+]C[C@H](C)CN[C@@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414829968 942480588 /nfs/dbraw/zinc/48/05/88/942480588.db2.gz BSCXFFRAUKXJEU-QWRGUYRKSA-N 1 3 365.827 3.521 20 0 FHADHO CCN1CCC([N@@H+]2CCCN(Cc3ccc4nc(C)sc4c3)CC2)CC1 ZINC000421368852 942520818 /nfs/dbraw/zinc/52/08/18/942520818.db2.gz GTNFCEGATOKUBG-UHFFFAOYSA-N 1 3 372.582 3.597 20 0 FHADHO CCN1CCC([N@H+]2CCCN(Cc3ccc4nc(C)sc4c3)CC2)CC1 ZINC000421368852 942520821 /nfs/dbraw/zinc/52/08/21/942520821.db2.gz GTNFCEGATOKUBG-UHFFFAOYSA-N 1 3 372.582 3.597 20 0 FHADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@@H](c3nc(C)c(C)s3)C2)cc1 ZINC000420321226 942620934 /nfs/dbraw/zinc/62/09/34/942620934.db2.gz QXUUHBKVUWJTMW-QZTJIDSGSA-N 1 3 359.539 3.690 20 0 FHADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@@H](c3nc(C)c(C)s3)C2)cc1 ZINC000420321226 942620945 /nfs/dbraw/zinc/62/09/45/942620945.db2.gz QXUUHBKVUWJTMW-QZTJIDSGSA-N 1 3 359.539 3.690 20 0 FHADHO COc1ccc([C@H](C[NH3+])CN2CCC[C@@H](c3nc(C)c(C)s3)C2)cc1 ZINC000420321226 942620953 /nfs/dbraw/zinc/62/09/53/942620953.db2.gz QXUUHBKVUWJTMW-QZTJIDSGSA-N 1 3 359.539 3.690 20 0 FHADHO Cc1cc(-c2noc([C@H](C)N3CCC[C@H]([C@H]4CC[NH2+]C4)C3)n2)ccc1F ZINC000420320349 942621346 /nfs/dbraw/zinc/62/13/46/942621346.db2.gz BIZLDAOENQGXQP-XIRDDKMYSA-N 1 3 358.461 3.567 20 0 FHADHO C[C@H](c1nc(-c2ccc(Cl)cc2)no1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420327925 942630295 /nfs/dbraw/zinc/63/02/95/942630295.db2.gz LSWXBKUKPFMAQX-BMFZPTHFSA-N 1 3 360.889 3.773 20 0 FHADHO C[C@H](c1ccccc1Br)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000420388530 942651084 /nfs/dbraw/zinc/65/10/84/942651084.db2.gz LDGAXBHEJGZLRH-XUWXXGDYSA-N 1 3 367.331 3.728 20 0 FHADHO [NH3+][C@H]1CCO[C@@H](C2CCN(CCOc3ccc(Cl)cc3Cl)CC2)C1 ZINC000420398454 942655262 /nfs/dbraw/zinc/65/52/62/942655262.db2.gz YSTUPMZEJQQUHK-MAUKXSAKSA-N 1 3 373.324 3.591 20 0 FHADHO CCN(CC)C(=O)[C@@H](c1ccccc1)N1CCC(CCC[NH+](C)C)CC1 ZINC000501794958 942681808 /nfs/dbraw/zinc/68/18/08/942681808.db2.gz MKFCINCHCQHLOL-OAQYLSRUSA-N 1 3 359.558 3.650 20 0 FHADHO Cc1cc([C@H](C)[NH2+]CC2CCN(Cc3ccccc3Cl)CC2)nn1C ZINC000502725465 942696096 /nfs/dbraw/zinc/69/60/96/942696096.db2.gz UVTYWFKWDOGKQD-INIZCTEOSA-N 1 3 360.933 3.945 20 0 FHADHO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc3c(c2)CNC3)[C@H]1c1cccs1 ZINC000582050939 942916141 /nfs/dbraw/zinc/91/61/41/942916141.db2.gz QVDJKTDFGIIZSF-KXBFYZLASA-N 1 3 370.522 3.556 20 0 FHADHO C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc3c(c2)CNC3)[C@H]1c1cccs1 ZINC000582050939 942916143 /nfs/dbraw/zinc/91/61/43/942916143.db2.gz QVDJKTDFGIIZSF-KXBFYZLASA-N 1 3 370.522 3.556 20 0 FHADHO CCCN1CCN(c2ccccc2C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)CC1 ZINC000430110459 942922463 /nfs/dbraw/zinc/92/24/63/942922463.db2.gz YRLXEDRVFAYFEP-VQTJNVASSA-N 1 3 363.496 3.696 20 0 FHADHO CCCN1CCN(c2ccccc2C[N@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)CC1 ZINC000430110459 942922469 /nfs/dbraw/zinc/92/24/69/942922469.db2.gz YRLXEDRVFAYFEP-VQTJNVASSA-N 1 3 363.496 3.696 20 0 FHADHO CN1CCC[C@@H]1CC[N@H+](CCCO)C(c1ccccc1)c1ccccc1 ZINC000503072206 942956403 /nfs/dbraw/zinc/95/64/03/942956403.db2.gz ATSCMMIBDQVXOV-JOCHJYFZSA-N 1 3 352.522 3.945 20 0 FHADHO CN1CCC[C@@H]1CC[N@@H+](CCCO)C(c1ccccc1)c1ccccc1 ZINC000503072206 942956405 /nfs/dbraw/zinc/95/64/05/942956405.db2.gz ATSCMMIBDQVXOV-JOCHJYFZSA-N 1 3 352.522 3.945 20 0 FHADHO C[C@@H]1C[C@@H](C[NH3+])CN1Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000414655592 943111515 /nfs/dbraw/zinc/11/15/15/943111515.db2.gz DIBXEDFIUQTNRA-QUCCMNQESA-N 1 3 360.505 3.768 20 0 FHADHO [NH3+]C[C@H]1CCN(Cc2ccc(-c3ccc(Br)cc3)s2)C1 ZINC000414658712 943125198 /nfs/dbraw/zinc/12/51/98/943125198.db2.gz RHLOFGUQULPCIA-GFCCVEGCSA-N 1 3 351.313 3.958 20 0 FHADHO Cc1nn(-c2ccc(Cl)cc2)c(C)c1CN1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000414674908 943200361 /nfs/dbraw/zinc/20/03/61/943200361.db2.gz SJPYTFYPDHVPQZ-CWFSZBLJSA-N 1 3 358.917 3.702 20 0 FHADHO CC(C)[NH+]1CCC(N2CCN([C@@H](C)CCc3cccc(F)c3)CC2)CC1 ZINC000272800354 943224000 /nfs/dbraw/zinc/22/40/00/943224000.db2.gz BFAOUWIFTCREOX-IBGZPJMESA-N 1 3 361.549 3.637 20 0 FHADHO N[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ccc(Br)cc3)C2)c2ccccc21 ZINC000422703265 943239207 /nfs/dbraw/zinc/23/92/07/943239207.db2.gz HJEDYBVFNSHBSN-KYNGSXCRSA-N 1 3 372.310 3.762 20 0 FHADHO N[C@@H]1CCCCC[C@@H]1[NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000422705007 943239983 /nfs/dbraw/zinc/23/99/83/943239983.db2.gz BDTPRJCXECZQIE-MOPGFXCFSA-N 1 3 369.475 3.919 20 0 FHADHO [NH3+][C@@H]1CCCCC[C@@H]1NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000422705007 943239987 /nfs/dbraw/zinc/23/99/87/943239987.db2.gz BDTPRJCXECZQIE-MOPGFXCFSA-N 1 3 369.475 3.919 20 0 FHADHO CCOc1cccc([C@H](C)N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422783601 943281866 /nfs/dbraw/zinc/28/18/66/943281866.db2.gz OMBVYJRTJCLBRB-XUEUYAKLSA-N 1 3 352.478 3.992 20 0 FHADHO COc1ccc(C[C@H](N[C@@H]2CC[NH2+]CC[C@H]2C)c2ccc(OC)cc2)cc1 ZINC000422762623 943284148 /nfs/dbraw/zinc/28/41/48/943284148.db2.gz ILNUPFBAWAEYBG-ZQMYSKGWSA-N 1 3 368.521 3.965 20 0 FHADHO Clc1cccc([C@H](CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)N2CCCC2)c1 ZINC000422843424 943312306 /nfs/dbraw/zinc/31/23/06/943312306.db2.gz IFPGVYIJFUAHTQ-NCYKPQTJSA-N 1 3 361.961 3.987 20 0 FHADHO Clc1cccc([C@H](CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)N2CCCC2)c1 ZINC000422843421 943312386 /nfs/dbraw/zinc/31/23/86/943312386.db2.gz IFPGVYIJFUAHTQ-BQJUDKOJSA-N 1 3 361.961 3.987 20 0 FHADHO COc1ccc(CCN[C@@H](C)C[C@@H]2CCCCC[NH2+]2)cc1OC(F)F ZINC000422878861 943314434 /nfs/dbraw/zinc/31/44/34/943314434.db2.gz KYPDNHSSVZFBHZ-HOCLYGCPSA-N 1 3 356.457 3.740 20 0 FHADHO CC[C@H](C)[C@H](N[C@H](C)C[C@H](C)[NH3+])C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000422882499 943316524 /nfs/dbraw/zinc/31/65/24/943316524.db2.gz AUXCUNOVXGRTDG-VWNVYAMZSA-N 1 3 373.585 3.598 20 0 FHADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@H](c1ccccc1)N1CCc2sccc2C1 ZINC000422883521 943316900 /nfs/dbraw/zinc/31/69/00/943316900.db2.gz QOXMLXDNDWHCGU-JRGCBEDISA-N 1 3 369.578 3.825 20 0 FHADHO COc1cc2[nH]c(CCCN[C@@H]3C[C@H]([NH3+])c4ccccc43)cc2c(OC)c1 ZINC000422870278 943320865 /nfs/dbraw/zinc/32/08/65/943320865.db2.gz XNGOOOBRPAVJOU-VQTJNVASSA-N 1 3 365.477 3.852 20 0 FHADHO COc1ccccc1SC[C@H](C)C[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000422942174 943339581 /nfs/dbraw/zinc/33/95/81/943339581.db2.gz IWVXKIGLYTZFMW-HUUCEWRRSA-N 1 3 359.539 3.936 20 0 FHADHO Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000422964192 943342912 /nfs/dbraw/zinc/34/29/12/943342912.db2.gz KPPFVTAIKXARLL-KRWDZBQOSA-N 1 3 363.509 3.626 20 0 FHADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]Cc1ccnc(OCc2ccccc2)c1 ZINC000422966522 943343802 /nfs/dbraw/zinc/34/38/02/943343802.db2.gz AKQWOYYYXYPUJM-PGRDOPGGSA-N 1 3 361.489 3.709 20 0 FHADHO Cc1cc(CN[C@@H]2CCOC[C@H]2[C@H](C)[NH3+])ccc1Oc1ccc(F)cc1 ZINC000422952915 943347927 /nfs/dbraw/zinc/34/79/27/943347927.db2.gz CPXYVHDBXZGGLA-RYGJVYDSSA-N 1 3 358.457 3.768 20 0 FHADHO Cc1nc(C[NH3+])ccc1[C@H](C)Nc1cccc(CN2CCSCC2)c1 ZINC000422953135 943348317 /nfs/dbraw/zinc/34/83/17/943348317.db2.gz DHYMFPFEJFVYCF-HNNXBMFYSA-N 1 3 356.539 3.571 20 0 FHADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000423023129 943365425 /nfs/dbraw/zinc/36/54/25/943365425.db2.gz JAXWRBHORLFNMP-DKICVRJWSA-N 1 3 361.892 3.606 20 0 FHADHO COc1ccccc1[C@H](C[NH2+][C@H](C)c1ccc(CN)nc1C)OC(C)C ZINC000423056923 943377176 /nfs/dbraw/zinc/37/71/76/943377176.db2.gz YGJILOLQTSTZJT-VFNWGFHPSA-N 1 3 357.498 3.674 20 0 FHADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000423097931 943393283 /nfs/dbraw/zinc/39/32/83/943393283.db2.gz RNAWCBIOICIQFD-WSMBLCCSSA-N 1 3 355.295 3.941 20 0 FHADHO CC(C)Oc1ccc([C@H](C[NH2+][C@H](Cc2ccccc2)[C@H](C)N)N(C)C)cc1 ZINC000423127860 943399947 /nfs/dbraw/zinc/39/99/47/943399947.db2.gz PTAADZFSTOYVEQ-NMNUPHIUSA-N 1 3 369.553 3.625 20 0 FHADHO CC(C)Oc1ccc([C@H](CN[C@H](Cc2ccccc2)[C@H](C)[NH3+])N(C)C)cc1 ZINC000423127860 943399954 /nfs/dbraw/zinc/39/99/54/943399954.db2.gz PTAADZFSTOYVEQ-NMNUPHIUSA-N 1 3 369.553 3.625 20 0 FHADHO FC(F)(F)c1cccc([C@H]2C[C@H](N[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)C2)c1 ZINC000423103699 943400920 /nfs/dbraw/zinc/40/09/20/943400920.db2.gz XVYPEQMOCLHGLY-GPFWEFOESA-N 1 3 368.443 3.698 20 0 FHADHO FC(F)O[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000503885222 943402752 /nfs/dbraw/zinc/40/27/52/943402752.db2.gz KPKDSWMFKBEERW-NTZUZEMLSA-N 1 3 350.453 3.647 20 0 FHADHO Brc1ccc(C2(CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCC2)s1 ZINC000423113410 943405681 /nfs/dbraw/zinc/40/56/81/943405681.db2.gz YURKBUNVQOYJPJ-FUNVUKJBSA-N 1 3 355.345 3.805 20 0 FHADHO c1nc(SC2CCCC2)ncc1CCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423138992 943417185 /nfs/dbraw/zinc/41/71/85/943417185.db2.gz UTQGMCFXWJKDNX-XUVXKRRUSA-N 1 3 374.598 3.954 20 0 FHADHO Cc1ccc(Oc2ccccc2CCN[C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])cc1 ZINC000423173426 943425701 /nfs/dbraw/zinc/42/57/01/943425701.db2.gz YNYVIKXFPDIMHA-JRGCBEDISA-N 1 3 354.494 3.672 20 0 FHADHO [NH3+]CCCN[C@@H](c1ccc(Br)cc1C(F)(F)F)C1CC1 ZINC000423195457 943438590 /nfs/dbraw/zinc/43/85/90/943438590.db2.gz SOJFZGJAAVVTAF-CYBMUJFWSA-N 1 3 351.210 3.857 20 0 FHADHO Clc1ccccc1[C@H](NCC[C@@H]1CC[NH2+]C1)c1ccc2c(c1)OCCO2 ZINC000423243068 943456677 /nfs/dbraw/zinc/45/66/77/943456677.db2.gz GDHVOBNKJUVIGP-YCRPNKLZSA-N 1 3 372.896 3.790 20 0 FHADHO Cc1c([C@@H](C)[NH2+][C@@H](CN)C2CC2)cnn1-c1ccc(Cl)cc1Cl ZINC000423284854 943464118 /nfs/dbraw/zinc/46/41/18/943464118.db2.gz XGYYYAYXNWIIDT-HWPZZCPQSA-N 1 3 353.297 3.875 20 0 FHADHO COCCOc1ccc([C@@H](C)NCc2ccc([C@@H](C)[NH3+])cc2)cc1OC ZINC000423292964 943467483 /nfs/dbraw/zinc/46/74/83/943467483.db2.gz PDMIYOXVKQLGQP-HZPDHXFCSA-N 1 3 358.482 3.591 20 0 FHADHO Cc1nc(C)c([C@H](C)[NH2+][C@H]2CNCC[C@@H]2c2ccc(F)c(F)c2)s1 ZINC000423381326 943496622 /nfs/dbraw/zinc/49/66/22/943496622.db2.gz ZHQJNPWKQSDYGC-KHIZAZIESA-N 1 3 351.466 3.834 20 0 FHADHO C[C@@H]1C[NH2+]CC[C@H]1N[C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000423394960 943500530 /nfs/dbraw/zinc/50/05/30/943500530.db2.gz NASGKMPQCBLTOX-FSPWUOQZSA-N 1 3 367.331 3.504 20 0 FHADHO C[C@@H]1CNCC[C@H]1[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000423394960 943500534 /nfs/dbraw/zinc/50/05/34/943500534.db2.gz NASGKMPQCBLTOX-FSPWUOQZSA-N 1 3 367.331 3.504 20 0 FHADHO COCC1(CN[C@@H](c2cc3ccccc3o2)c2cccnc2)CC[NH2+]CC1 ZINC000423407235 943508725 /nfs/dbraw/zinc/50/87/25/943508725.db2.gz MDGUAPDQORSMSX-OAQYLSRUSA-N 1 3 365.477 3.523 20 0 FHADHO COc1ccc([C@@H](N[C@@H]2C[C@H]2C2CC[NH2+]CC2)c2ccc(F)cc2)cc1 ZINC000423443644 943512465 /nfs/dbraw/zinc/51/24/65/943512465.db2.gz QNQWUKXORPUFSJ-BDTNDASRSA-N 1 3 354.469 3.901 20 0 FHADHO COc1ccc([C@H](N[C@@H]2C[C@H]2C2CC[NH2+]CC2)c2ccc(F)cc2)cc1 ZINC000423443645 943512612 /nfs/dbraw/zinc/51/26/12/943512612.db2.gz QNQWUKXORPUFSJ-BHDDXSALSA-N 1 3 354.469 3.901 20 0 FHADHO C[C@H](c1ccc2ccccc2c1)[N@H+](C[C@H]1CCCN(C(=O)CN)C1)C1CC1 ZINC000414743361 943514215 /nfs/dbraw/zinc/51/42/15/943514215.db2.gz ITBOGRKRXCUVIQ-MSOLQXFVSA-N 1 3 365.521 3.563 20 0 FHADHO C[C@H](c1ccc2ccccc2c1)[N@@H+](C[C@H]1CCCN(C(=O)CN)C1)C1CC1 ZINC000414743361 943514217 /nfs/dbraw/zinc/51/42/17/943514217.db2.gz ITBOGRKRXCUVIQ-MSOLQXFVSA-N 1 3 365.521 3.563 20 0 FHADHO Fc1ccc(Br)c2c1CC[C@@H]2N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423429007 943516815 /nfs/dbraw/zinc/51/68/15/943516815.db2.gz HBGATYQZYKTMDI-VBNZEHGJSA-N 1 3 353.279 3.553 20 0 FHADHO CCN(Cc1cc(Br)cc2cccnc21)[C@H]1CCC[NH2+]CC1 ZINC000435616889 943517062 /nfs/dbraw/zinc/51/70/62/943517062.db2.gz MFKRPMDDGKAVRQ-KRWDZBQOSA-N 1 3 362.315 3.961 20 0 FHADHO CCc1ccccc1NC(=O)C[C@H](C)[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000423528939 943537572 /nfs/dbraw/zinc/53/75/72/943537572.db2.gz PFSBQKFQZGWMNU-VBVZNHOFSA-N 1 3 369.553 3.709 20 0 FHADHO Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CC2(N)C3CC4CC(C3)CC2C4)c1C ZINC000423528966 943537681 /nfs/dbraw/zinc/53/76/81/943537681.db2.gz PJSFXBKLQABBHW-BTZTZORMSA-N 1 3 369.553 3.764 20 0 FHADHO CC[C@@H](NCC1([NH3+])CCN(Cc2ccccc2)CC1)c1ccc(F)cc1F ZINC000423574357 943561046 /nfs/dbraw/zinc/56/10/46/943561046.db2.gz PIYQEGCMAYKGJV-OAQYLSRUSA-N 1 3 373.491 3.999 20 0 FHADHO C[C@H](NCC1([NH3+])CCN(Cc2ccccc2)CC1)c1cccc(F)c1F ZINC000423577907 943561572 /nfs/dbraw/zinc/56/15/72/943561572.db2.gz SZNLVYKZHWWGBQ-INIZCTEOSA-N 1 3 359.464 3.609 20 0 FHADHO CCCOc1c(Cl)cc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1OC ZINC000414771254 943694722 /nfs/dbraw/zinc/69/47/22/943694722.db2.gz QSGOZSXKPCENFD-IYBDPMFKSA-N 1 3 352.906 3.569 20 0 FHADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000414775145 943746274 /nfs/dbraw/zinc/74/62/74/943746274.db2.gz BLEIHJRMICEYNK-YADHBBJMSA-N 1 3 352.478 3.807 20 0 FHADHO CCN(CC)[C@@H](CNC(=O)c1ccc([C@H](C)[NH3+])cc1)c1cccc(OC)c1 ZINC000563065004 943762166 /nfs/dbraw/zinc/76/21/66/943762166.db2.gz BMSPCNLQFKHYAC-KKSFZXQISA-N 1 3 369.509 3.528 20 0 FHADHO Cc1cc(C[NH3+])cc(NC(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)c1 ZINC000424430880 943924977 /nfs/dbraw/zinc/92/49/77/943924977.db2.gz DSWZSSHSDHAXKK-GOSISDBHSA-N 1 3 366.509 3.582 20 0 FHADHO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H]1CCCC[C@H]1CN ZINC000414790331 943938403 /nfs/dbraw/zinc/93/84/03/943938403.db2.gz AAXDVWJUKRBRJX-VNHYZAJKSA-N 1 3 357.420 3.530 20 0 FHADHO C[C@H](CN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)c1nc(-c2ccccc2)no1 ZINC000925627503 943943273 /nfs/dbraw/zinc/94/32/73/943943273.db2.gz AZCUYPRROLITJS-ATZDWAIDSA-N 1 3 354.498 3.598 20 0 FHADHO C[C@@H](C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)N1[C@H](C)CC[C@@H]1C ZINC000511643757 943979846 /nfs/dbraw/zinc/97/98/46/943979846.db2.gz FDRMCFTZBMMMEV-OTWHNJEPSA-N 1 3 357.542 3.915 20 0 FHADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@]3(CCCc4ccccc43)C2)CC1 ZINC000500072831 944050165 /nfs/dbraw/zinc/05/01/65/944050165.db2.gz IKQCWKVIKPULAI-XMMPIXPASA-N 1 3 369.597 3.773 20 0 FHADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@]3(CCCc4ccccc43)C2)CC1 ZINC000500072831 944050172 /nfs/dbraw/zinc/05/01/72/944050172.db2.gz IKQCWKVIKPULAI-XMMPIXPASA-N 1 3 369.597 3.773 20 0 FHADHO C[C@H](C[NH+]1CCC(N(C)CCCO)CC1)c1ccc(C(F)(F)F)cc1 ZINC000500087921 944081183 /nfs/dbraw/zinc/08/11/83/944081183.db2.gz HVJZVTGZCFIFEM-OAHLLOKOSA-N 1 3 358.448 3.588 20 0 FHADHO CN(Cc1cccc2ccccc21)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000711770979 944097354 /nfs/dbraw/zinc/09/73/54/944097354.db2.gz GZDUILCIXLHRQK-DEOSSOPVSA-N 1 3 360.501 3.909 20 0 FHADHO CN(Cc1cccc2ccccc21)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000711770979 944097362 /nfs/dbraw/zinc/09/73/62/944097362.db2.gz GZDUILCIXLHRQK-DEOSSOPVSA-N 1 3 360.501 3.909 20 0 FHADHO CCC[C@@H](C)[C@@H]1CCCN1C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000517245536 944139032 /nfs/dbraw/zinc/13/90/32/944139032.db2.gz UHMWNSQAPVONJP-NQIIRXRSSA-N 1 3 363.590 3.610 20 0 FHADHO COc1ccc(CNCc2ccc(C[NH+]3CCCC3)cc2)c(C)c1OC ZINC000517259725 944154136 /nfs/dbraw/zinc/15/41/36/944154136.db2.gz MOPNVYFTQHJSHC-UHFFFAOYSA-N 1 3 354.494 3.898 20 0 FHADHO COc1ccc(CN(C)C)cc1NC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000515851444 944274057 /nfs/dbraw/zinc/27/40/57/944274057.db2.gz PDNHPQKBEBPAOA-GOSISDBHSA-N 1 3 361.530 3.773 20 0 FHADHO [NH3+][C@H]1CCC[C@H](NCc2ccc(Br)cc2C(F)(F)F)C1 ZINC000414921404 944325033 /nfs/dbraw/zinc/32/50/33/944325033.db2.gz FOANVRZBWJANDK-RYUDHWBXSA-N 1 3 351.210 3.827 20 0 FHADHO COc1ccc2c(c1F)CC[C@@H]2NCc1cccc(OCC[NH+](C)C)c1 ZINC000515909539 944325366 /nfs/dbraw/zinc/32/53/66/944325366.db2.gz XWGIOVPWNPYDHX-IBGZPJMESA-N 1 3 358.457 3.552 20 0 FHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@@H]1OCCc2ccccc21 ZINC000398156364 944529406 /nfs/dbraw/zinc/52/94/06/944529406.db2.gz QUYWCLKWRYURLN-YSZBQJHXSA-N 1 3 350.506 3.801 20 0 FHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@@H]1OCCc2ccccc21 ZINC000398156364 944529414 /nfs/dbraw/zinc/52/94/14/944529414.db2.gz QUYWCLKWRYURLN-YSZBQJHXSA-N 1 3 350.506 3.801 20 0 FHADHO C[C@H](NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1ccc(-n2cncn2)cc1 ZINC000366694500 944553332 /nfs/dbraw/zinc/55/33/32/944553332.db2.gz JTPZGUIUDIFJFY-RBDMOPTHSA-N 1 3 361.493 3.611 20 0 FHADHO C[C@H](NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)c1ccc(-n2cncn2)cc1 ZINC000366694500 944553337 /nfs/dbraw/zinc/55/33/37/944553337.db2.gz JTPZGUIUDIFJFY-RBDMOPTHSA-N 1 3 361.493 3.611 20 0 FHADHO c1ccc(OCc2ccncc2)c(CN2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000506942478 944762467 /nfs/dbraw/zinc/76/24/67/944762467.db2.gz BCEDJBUXSMXIJE-UHFFFAOYSA-N 1 3 365.521 3.968 20 0 FHADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1cccc(CN2CCCC2)c1 ZINC000516397493 944794748 /nfs/dbraw/zinc/79/47/48/944794748.db2.gz JRSXUCSNUORWLI-IBGZPJMESA-N 1 3 357.542 3.667 20 0 FHADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1cccc(CN2CCCC2)c1 ZINC000516397493 944794755 /nfs/dbraw/zinc/79/47/55/944794755.db2.gz JRSXUCSNUORWLI-IBGZPJMESA-N 1 3 357.542 3.667 20 0 FHADHO C[C@H](N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1cccc(-n2cccn2)c1 ZINC000516450346 944875474 /nfs/dbraw/zinc/87/54/74/944875474.db2.gz DDHQTMFFAIBOKJ-LXBDKUERSA-N 1 3 374.488 3.779 20 0 FHADHO O=C(CC[NH+]1CCC(NCc2ccccc2)CC1)Nc1cccc(Cl)c1 ZINC000660675412 945382221 /nfs/dbraw/zinc/38/22/21/945382221.db2.gz FACJTKSWDBOCGT-UHFFFAOYSA-N 1 3 371.912 3.923 20 0 FHADHO CC(C)C[C@H](N)C[NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000415113277 945668309 /nfs/dbraw/zinc/66/83/09/945668309.db2.gz DWWOOYCZCQVXAY-KRWDZBQOSA-N 1 3 358.357 3.921 20 0 FHADHO CC(C)C[C@H]([NH3+])CNC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000415113277 945668320 /nfs/dbraw/zinc/66/83/20/945668320.db2.gz DWWOOYCZCQVXAY-KRWDZBQOSA-N 1 3 358.357 3.921 20 0 FHADHO C[C@@H]1C[C@H](CCNCc2cc(C(F)(F)F)n[nH]2)C[N@@H+]1Cc1ccccc1 ZINC000440612727 945707670 /nfs/dbraw/zinc/70/76/70/945707670.db2.gz NSSRFXWKGADHDC-ZBFHGGJFSA-N 1 3 366.431 3.819 20 0 FHADHO C[C@@H]1C[C@H](CCNCc2cc(C(F)(F)F)n[nH]2)C[N@H+]1Cc1ccccc1 ZINC000440612727 945707672 /nfs/dbraw/zinc/70/76/72/945707672.db2.gz NSSRFXWKGADHDC-ZBFHGGJFSA-N 1 3 366.431 3.819 20 0 FHADHO CCCN1CCC[C@@H]1C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000522893116 946073161 /nfs/dbraw/zinc/07/31/61/946073161.db2.gz HWVYHOMZMOPUGE-WIYYLYMNSA-N 1 3 357.542 3.552 20 0 FHADHO CCCN1CCC[C@@H]1C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000522893116 946073167 /nfs/dbraw/zinc/07/31/67/946073167.db2.gz HWVYHOMZMOPUGE-WIYYLYMNSA-N 1 3 357.542 3.552 20 0 FHADHO CC(C)Cc1ccc(CNCc2ccccc2C[N@@H+]2CCC[C@H]2CO)cn1 ZINC000893486621 946406562 /nfs/dbraw/zinc/40/65/62/946406562.db2.gz GQWFEVGFVMSXTL-QHCPKHFHSA-N 1 3 367.537 3.527 20 0 FHADHO CC(C)Cc1ccc(CNCc2ccccc2C[N@H+]2CCC[C@H]2CO)cn1 ZINC000893486621 946406575 /nfs/dbraw/zinc/40/65/75/946406575.db2.gz GQWFEVGFVMSXTL-QHCPKHFHSA-N 1 3 367.537 3.527 20 0 FHADHO CN1CCN(CC[NH2+]Cc2ccc(Sc3ccccc3)cc2)CC1(C)C ZINC000441333537 946465242 /nfs/dbraw/zinc/46/52/42/946465242.db2.gz SWLSOBLKJTUYGI-UHFFFAOYSA-N 1 3 369.578 3.953 20 0 FHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cc(C)ccc3Cl)CC2)CC1 ZINC000520425468 946577391 /nfs/dbraw/zinc/57/73/91/946577391.db2.gz XEMDLYZZCIYJCX-UHFFFAOYSA-N 1 3 363.933 3.783 20 0 FHADHO CN1CCC[C@@H]1CC[NH2+]C1(c2cccc(Br)c2)CCOCC1 ZINC000536266574 946663190 /nfs/dbraw/zinc/66/31/90/946663190.db2.gz HVYXXVYLSXIDFU-QGZVFWFLSA-N 1 3 367.331 3.529 20 0 FHADHO CC(C)(C)[C@H](N)C(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000663018679 946708071 /nfs/dbraw/zinc/70/80/71/946708071.db2.gz CWHNIMUCWXICLP-WOJBJXKFSA-N 1 3 371.569 3.509 20 0 FHADHO CC[NH2+]Cc1cccc(NC(=O)c2oc3ccccc3c2CN(C)C)c1 ZINC000123542233 946887606 /nfs/dbraw/zinc/88/76/06/946887606.db2.gz YGDAAXLINZSGMN-UHFFFAOYSA-N 1 3 351.450 3.856 20 0 FHADHO C[C@@H]1CCCN(Cc2ccc(C(=O)Nc3ccccc3)cc2)[C@@H]1CC[NH3+] ZINC000652353719 946903650 /nfs/dbraw/zinc/90/36/50/946903650.db2.gz AQDAMXXMPVGQIR-DYESRHJHSA-N 1 3 351.494 3.888 20 0 FHADHO C[NH+](C)Cc1ccc(NC(=O)C(C[C@H]2CCCO2)C(F)(F)F)c(F)c1 ZINC000652440578 947136246 /nfs/dbraw/zinc/13/62/46/947136246.db2.gz HHRACSZXHJTVMY-OLZOCXBDSA-N 1 3 362.367 3.573 20 0 FHADHO COc1ccc(-c2noc([C@H](C)N3CCC[C@H](C4CC[NH2+]CC4)C3)n2)cc1 ZINC000662294082 947716171 /nfs/dbraw/zinc/71/61/71/947716171.db2.gz OWGMXOVWCGXXFH-YJBOKZPZSA-N 1 3 370.497 3.518 20 0 FHADHO CC(C)c1ccccc1NC(=O)[C@H](C)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662294024 947716196 /nfs/dbraw/zinc/71/61/96/947716196.db2.gz AEVSJKUWFJASEU-HKUYNNGSSA-N 1 3 357.542 3.849 20 0 FHADHO COc1ccc(-c2noc([C@@H](C)N3CCC[C@@H](C4CC[NH2+]CC4)C3)n2)cc1 ZINC000662294079 947716678 /nfs/dbraw/zinc/71/66/78/947716678.db2.gz OWGMXOVWCGXXFH-CRAIPNDOSA-N 1 3 370.497 3.518 20 0 FHADHO C[C@@H]1CCCN(Cc2csc(-c3ccc4c(c3)OCO4)n2)[C@@H]1CCC[NH3+] ZINC000662314072 947746720 /nfs/dbraw/zinc/74/67/20/947746720.db2.gz BPFBKARYMIZLLJ-RHSMWYFYSA-N 1 3 373.522 3.878 20 0 FHADHO CN(C(=O)CCNC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccccc1 ZINC000663360431 947849882 /nfs/dbraw/zinc/84/98/82/947849882.db2.gz WNFTXPDZRXBIMX-UTKZUKDTSA-N 1 3 371.550 3.774 20 0 FHADHO CN(C(=O)CCNC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccccc1 ZINC000663360431 947849886 /nfs/dbraw/zinc/84/98/86/947849886.db2.gz WNFTXPDZRXBIMX-UTKZUKDTSA-N 1 3 371.550 3.774 20 0 FHADHO C[C@@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)c1ccc([S@@](C)=O)cc1 ZINC000165321698 947890320 /nfs/dbraw/zinc/89/03/20/947890320.db2.gz CIKNKKMBIKVCEM-FXABVQRQSA-N 1 3 370.562 3.639 20 0 FHADHO Cc1nccn1-c1ccc([C@H](C)NC[C@@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000663469865 948064334 /nfs/dbraw/zinc/06/43/34/948064334.db2.gz RGKCXVAMOGKZIR-PXNSSMCTSA-N 1 3 352.526 3.953 20 0 FHADHO Cc1nccn1-c1ccc([C@H](C)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663469865 948064343 /nfs/dbraw/zinc/06/43/43/948064343.db2.gz RGKCXVAMOGKZIR-PXNSSMCTSA-N 1 3 352.526 3.953 20 0 FHADHO C[C@H]([NH2+]C[C@H]1CNCCC1(F)F)c1ccc(SCC(F)F)cc1 ZINC000925780567 948093465 /nfs/dbraw/zinc/09/34/65/948093465.db2.gz FTQDMDKWIXCOJY-WCQYABFASA-N 1 3 350.425 3.939 20 0 FHADHO CC[NH+](CC)CCC[C@H](C)N1CCN(c2cc(Cl)ccc2OC)CC1 ZINC001167836818 948308064 /nfs/dbraw/zinc/30/80/64/948308064.db2.gz HQBGHTDVRIRMLX-KRWDZBQOSA-N 1 3 367.965 3.981 20 0 FHADHO CC[NH+](CC)CCC[C@@H](C)N1[C@H](C)CN(C(=O)OC(C)(C)C)C[C@H]1C ZINC001167839557 948320801 /nfs/dbraw/zinc/32/08/01/948320801.db2.gz ABZZMEALOQJZLP-KZNAEPCWSA-N 1 3 355.567 3.827 20 0 FHADHO CC[C@@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1cccc(Br)c1 ZINC000432410818 948356284 /nfs/dbraw/zinc/35/62/84/948356284.db2.gz RYUFDUWRSVSNPS-MAUKXSAKSA-N 1 3 369.347 3.991 20 0 FHADHO CC[C@@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1cccc(Br)c1 ZINC000432410818 948356292 /nfs/dbraw/zinc/35/62/92/948356292.db2.gz RYUFDUWRSVSNPS-MAUKXSAKSA-N 1 3 369.347 3.991 20 0 FHADHO c1ccc2c(c1)OCC21CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001168004706 948404723 /nfs/dbraw/zinc/40/47/23/948404723.db2.gz XVNCVODSJUYOSN-YOFSQIOKSA-N 1 3 352.522 3.818 20 0 FHADHO c1ccc2c(c1)OCC21CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001168004706 948404729 /nfs/dbraw/zinc/40/47/29/948404729.db2.gz XVNCVODSJUYOSN-YOFSQIOKSA-N 1 3 352.522 3.818 20 0 FHADHO C[C@@H]1C[C@@H]([NH2+][C@H](CO)c2ccc(F)cc2)C[C@H](C)N1Cc1ccccc1 ZINC001168004831 948410377 /nfs/dbraw/zinc/41/03/77/948410377.db2.gz AFKDNQFVVRGGDA-WOSNLTMFSA-N 1 3 356.485 3.890 20 0 FHADHO COc1cccc(OC)c1C[NH2+]C[C@H]1CCCN(Cc2cccs2)C1 ZINC000512099244 948420921 /nfs/dbraw/zinc/42/09/21/948420921.db2.gz LGVYZAZAHDKFOK-MRXNPFEDSA-N 1 3 360.523 3.767 20 0 FHADHO Cc1c([C@@H](C)[NH2+]C[C@H]2CCN(C3CC3)C2)cnn1-c1cccc(Cl)c1 ZINC000152372509 948424667 /nfs/dbraw/zinc/42/46/67/948424667.db2.gz MTSXIWLSHLGSGN-GDBMZVCRSA-N 1 3 358.917 3.969 20 0 FHADHO CCCOc1ccc(Br)cc1C[NH2+]C1CCN(CC)CC1 ZINC000037976751 948457075 /nfs/dbraw/zinc/45/70/75/948457075.db2.gz JNZHSCXBUMIFHT-UHFFFAOYSA-N 1 3 355.320 3.812 20 0 FHADHO C[C@@H]1CC(NCCNC(=O)OC(C)(C)C)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168005981 948549195 /nfs/dbraw/zinc/54/91/95/948549195.db2.gz LXYCOMUPURKJJA-IAGOWNOFSA-N 1 3 361.530 3.542 20 0 FHADHO CN1C[C@@H](C[NH2+]Cc2cnc(CC(F)(F)F)s2)[C@H](c2ccccc2)C1 ZINC000895116997 948729219 /nfs/dbraw/zinc/72/92/19/948729219.db2.gz YXBSKOFNOITJBK-ZBFHGGJFSA-N 1 3 369.456 3.683 20 0 FHADHO CCCCn1nc(C)c(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)c1Cl ZINC000067452837 948789181 /nfs/dbraw/zinc/78/91/81/948789181.db2.gz ZKDUGIIZZOCUSU-HZPDHXFCSA-N 1 3 370.969 3.624 20 0 FHADHO CCC(CC)(CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(OC)c(OC)c1 ZINC000461104501 567964216 /nfs/dbraw/zinc/96/42/16/567964216.db2.gz XCRUKAUTFWWNRA-RTBURBONSA-N 1 3 360.542 3.978 20 0 FHADHO CCC(CC)(CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(OC)c(OC)c1 ZINC000461104501 567964217 /nfs/dbraw/zinc/96/42/17/567964217.db2.gz XCRUKAUTFWWNRA-RTBURBONSA-N 1 3 360.542 3.978 20 0 FHADHO