smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)c1ccccc1NC(=S)N(CCC[NH+]1CCOCC1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000000885213 551557075 /nfs/dbraw/zinc/55/70/75/551557075.db2.gz XNEFAEJYMSGEJO-UHFFFAOYSA-N 1 1 524.643 3.245 40 0 KGABMO Cc1ccc(-c2nnn(CC(=O)N(CCC[NH+]3CCOCC3)[C@H](C(=O)NC3CCCCC3)c3ccc(F)cc3)n2)o1 ZINC000000886376 551558968 /nfs/dbraw/zinc/55/89/68/551558968.db2.gz YQWHGGSMMGCCPO-MHZLTWQESA-N 1 1 567.666 3.122 40 0 KGABMO Cc1ccc(-c2nnn(CC(=O)N(CCC[NH+]3CCOCC3)[C@@H](C(=O)NC3CCCCC3)c3ccc(F)cc3)n2)o1 ZINC000000886377 551559009 /nfs/dbraw/zinc/55/90/09/551559009.db2.gz YQWHGGSMMGCCPO-HHHXNRCGSA-N 1 1 567.666 3.122 40 0 KGABMO O=c1[nH]c2cc3c(cc2cc1CN(CCC[NH+]1CCOCC1)C(=S)Nc1ccc(F)cc1)OCCO3 ZINC000000891237 551562840 /nfs/dbraw/zinc/56/28/40/551562840.db2.gz YUAQMIWQKIAONV-UHFFFAOYSA-N 1 1 512.607 3.360 40 0 KGABMO COc1ccc(NC(=S)N(CCC[NH+]2CCOCC2)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1 ZINC000000891238 551562927 /nfs/dbraw/zinc/56/29/27/551562927.db2.gz SZMOADZLJCPQSC-UHFFFAOYSA-N 1 1 524.643 3.229 40 0 KGABMO COc1ccccc1NC(=S)N(CCC[NH+]1CCOCC1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000000891240 551562851 /nfs/dbraw/zinc/56/28/51/551562851.db2.gz LMWFKVZHDWNNGM-UHFFFAOYSA-N 1 1 524.643 3.229 40 0 KGABMO O=c1[nH]c2cc3c(cc2cc1CN(CCC[NH+]1CCOCC1)C(=S)NC1CCCCC1)OCCO3 ZINC000000891254 551562798 /nfs/dbraw/zinc/56/27/98/551562798.db2.gz INTCVQHICAGQHD-UHFFFAOYSA-N 1 1 500.665 3.031 40 0 KGABMO COc1ccc(NC(=S)N(CCC[NH+]2CCOCC2)Cc2cc3cc(OC)c(OC)cc3[nH]c2=O)cc1 ZINC000000895504 551563649 /nfs/dbraw/zinc/56/36/49/551563649.db2.gz JZTMASSCPXWZAF-UHFFFAOYSA-N 1 1 526.659 3.475 40 0 KGABMO COc1ccccc1NC(=S)N(CCC[NH+]1CCOCC1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000000895510 551563661 /nfs/dbraw/zinc/56/36/61/551563661.db2.gz FRLPYBDUOUXSDC-UHFFFAOYSA-N 1 1 526.659 3.475 40 0 KGABMO COc1cc2cc(CN(CCC[NH+]3CCOCC3)C(=S)NCc3ccccc3)c(=O)[nH]c2cc1OC ZINC000000895530 551563902 /nfs/dbraw/zinc/56/39/02/551563902.db2.gz HRSUYBNBPXEPHZ-UHFFFAOYSA-N 1 1 510.660 3.144 40 0 KGABMO COc1cc2cc(CN(CCC[NH+]3CCOCC3)C(=S)NC3CCCCC3)c(=O)[nH]c2cc1OC ZINC000000895543 551563883 /nfs/dbraw/zinc/56/38/83/551563883.db2.gz MOKSETFTPLDKEB-UHFFFAOYSA-N 1 1 502.681 3.277 40 0 KGABMO CCOC(=O)Cn1nnnc1[C@@H](C(C)C)[N@@H+](CCc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001334434 551644930 /nfs/dbraw/zinc/64/49/30/551644930.db2.gz DIAMKHBJOZAPMQ-HHHXNRCGSA-N 1 1 546.628 3.291 40 0 KGABMO CCOC(=O)Cn1nnnc1[C@@H](C(C)C)[N@H+](CCc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001334434 551644929 /nfs/dbraw/zinc/64/49/29/551644929.db2.gz DIAMKHBJOZAPMQ-HHHXNRCGSA-N 1 1 546.628 3.291 40 0 KGABMO CCOC(=O)Cn1nnnc1[C@H](C(C)C)[N@@H+](CCc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001334438 551645020 /nfs/dbraw/zinc/64/50/20/551645020.db2.gz DIAMKHBJOZAPMQ-MHZLTWQESA-N 1 1 546.628 3.291 40 0 KGABMO CCOC(=O)Cn1nnnc1[C@H](C(C)C)[N@H+](CCc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001334438 551645017 /nfs/dbraw/zinc/64/50/17/551645017.db2.gz DIAMKHBJOZAPMQ-MHZLTWQESA-N 1 1 546.628 3.291 40 0 KGABMO CCOC(=O)Cn1nnnc1[C@H](CC)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCCC1 ZINC000001374818 551654921 /nfs/dbraw/zinc/65/49/21/551654921.db2.gz KSWPEBACKVVRHZ-NRFANRHFSA-N 1 1 510.595 3.135 40 0 KGABMO CCOC(=O)Cn1nnnc1[C@@H](CC)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCCC1 ZINC000001374819 551655367 /nfs/dbraw/zinc/65/53/67/551655367.db2.gz KSWPEBACKVVRHZ-OAQYLSRUSA-N 1 1 510.595 3.135 40 0 KGABMO O=S(=O)([N-]c1ccc(C2=[NH+]CCN2)cc1)c1cccc2cc(S(=O)(=O)Nc3ccc(C4=[NH+]CCN4)cc3)ccc21 ZINC000001670608 551688616 /nfs/dbraw/zinc/68/86/16/551688616.db2.gz JYFPXJARYTUFIS-UHFFFAOYSA-N 1 1 574.688 3.141 40 0 KGABMO O=S(=O)([N-]c1cccc(C2=[NH+]CCN2)c1)c1cccc2cc(S(=O)(=O)Nc3cccc(C4=[NH+]CCN4)c3)ccc21 ZINC000001670609 551688551 /nfs/dbraw/zinc/68/85/51/551688551.db2.gz IAHOBEQSPQESET-UHFFFAOYSA-N 1 1 574.688 3.141 40 0 KGABMO O=C1c2cccc3cccc(c32)C(=O)N1CCNCCC[NH2+]CCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000003811313 552418636 /nfs/dbraw/zinc/41/86/36/552418636.db2.gz QUNOQBDEVTWCTA-UHFFFAOYSA-N 1 1 520.589 3.455 40 0 in-man KGABMO CC(=O)N1CCC([N@@H+]2C[C@H]3C[C@H](Cn4c(=O)c(NS(=O)(=O)c5cccc(C(F)(F)F)c5)ccc43)C2)CC1 ZINC000004150094 552443230 /nfs/dbraw/zinc/44/32/30/552443230.db2.gz JSASUNWQDHBLEV-ZWKOTPCHSA-N 1 1 538.592 3.098 40 0 biogenic,in-vitro KGABMO COc1ccc(CC[N@@H+](C)CCCC2(c3ccc(OC)c(OC)c3)S(=O)(=O)CCCS2(=O)=O)cc1OC ZINC000004217559 552450328 /nfs/dbraw/zinc/45/03/28/552450328.db2.gz ZROUQTNYPCANTN-UHFFFAOYSA-N 1 1 555.715 3.062 40 0 in-man KGABMO COc1ccc(CC[N@H+](C)CCCC2(c3ccc(OC)c(OC)c3)S(=O)(=O)CCCS2(=O)=O)cc1OC ZINC000004217559 552450325 /nfs/dbraw/zinc/45/03/25/552450325.db2.gz ZROUQTNYPCANTN-UHFFFAOYSA-N 1 1 555.715 3.062 40 0 in-man KGABMO CN(C)CC(=O)Nc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(NC(=O)C[NH+](C)C)cc3)cc2)cc1 ZINC000004722055 552472780 /nfs/dbraw/zinc/47/27/80/552472780.db2.gz WFKGGVSFQXTESY-UHFFFAOYSA-N 1 1 516.602 3.191 40 0 KGABMO COC(=O)c1ccccc1NC(=S)N(CCC[NH+]1CCOCC1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000006136122 552540956 /nfs/dbraw/zinc/54/09/56/552540956.db2.gz QXPNUNGTISWBAX-UHFFFAOYSA-N 1 1 552.653 3.007 40 0 KGABMO CCOc1ccc2[nH]c(=O)c(CN(Cc3ccc4c(c3)OCO4)C(=S)NCCC[NH+]3CCOCC3)cc2c1 ZINC000006196696 552568752 /nfs/dbraw/zinc/56/87/52/552568752.db2.gz IRFWTHUIPZSWIU-UHFFFAOYSA-N 1 1 538.670 3.255 40 0 KGABMO COc1ccc(CN(Cc2cc3cc(OC)c(OC)cc3[nH]c2=O)C(=S)NCCC[NH+]2CCOCC2)cc1 ZINC000006239737 193875107 /nfs/dbraw/zinc/87/51/07/193875107.db2.gz WWGZRBNDDZCXIH-UHFFFAOYSA-N 1 1 540.686 3.153 40 0 KGABMO COc1ccc(CCNC(=S)N(CCC[NH+]2CCOCC2)Cc2cc3cc(OC)c(OC)cc3[nH]c2=O)cc1OC ZINC000006240105 552573134 /nfs/dbraw/zinc/57/31/34/552573134.db2.gz NPBOCJAHMAGCLY-UHFFFAOYSA-N 1 1 584.739 3.204 40 0 KGABMO COc1ccc(CCNC(=S)N(CCC[NH+]2CCOCC2)Cc2cc3cc(C)ccc3[nH]c2=O)cc1OC ZINC000006408096 552582697 /nfs/dbraw/zinc/58/26/97/552582697.db2.gz PKGFGGRAMOFKTH-UHFFFAOYSA-N 1 1 538.714 3.495 40 0 KGABMO Cc1cccc(CCN(Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)C(=S)NCCC[NH+]2CCOCC2)c1 ZINC000006442688 552584900 /nfs/dbraw/zinc/58/49/00/552584900.db2.gz AXTNHDHTPKLQDC-UHFFFAOYSA-N 1 1 536.698 3.249 40 0 KGABMO COc1ccc(CCNC(=S)N(CCC[NH+]2CCOCC2)Cc2cc3cccc(C)c3[nH]c2=O)cc1OC ZINC000006443350 552585506 /nfs/dbraw/zinc/58/55/06/552585506.db2.gz HPDYCOUNFNXXEJ-UHFFFAOYSA-N 1 1 538.714 3.495 40 0 KGABMO Cc1ccccc1CCN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C(=S)NCCC[NH+]1CCOCC1 ZINC000006444183 552586715 /nfs/dbraw/zinc/58/67/15/552586715.db2.gz SPXVBOBTXYDXRF-UHFFFAOYSA-N 1 1 536.698 3.249 40 0 KGABMO COc1ccc(-c2nnn(CC(=O)N(CCC[NH+]3CCOCC3)[C@H](C(=O)NC3CCCCC3)c3ccc(F)cc3)n2)cc1 ZINC000007060435 552982888 /nfs/dbraw/zinc/98/28/88/552982888.db2.gz JCRWDIFRNKCVDB-LJAQVGFWSA-N 1 1 593.704 3.229 40 0 KGABMO COc1ccc(-c2nnn(CC(=O)N(CCC[NH+]3CCOCC3)[C@@H](C(=O)NC3CCCCC3)c3ccc(F)cc3)n2)cc1 ZINC000007060452 552982872 /nfs/dbraw/zinc/98/28/72/552982872.db2.gz JCRWDIFRNKCVDB-GDLZYMKVSA-N 1 1 593.704 3.229 40 0 KGABMO COc1ccc(OC)c(S(=O)(=O)NC[C@H]2C[C@@H]3CC[N@H+]2C[C@@H]3c2cc(-c3ccc(N(C)C)cc3)nn2C)c1 ZINC000008635352 553105014 /nfs/dbraw/zinc/10/50/14/553105014.db2.gz SXPBRHKAUOTXPX-FJIJXJHWSA-N 1 1 539.702 3.327 40 0 biogenic,in-vitro KGABMO COc1ccc(OC)c(S(=O)(=O)NC[C@H]2C[C@@H]3CC[N@@H+]2C[C@@H]3c2cc(-c3ccc(N(C)C)cc3)nn2C)c1 ZINC000008635352 553105012 /nfs/dbraw/zinc/10/50/12/553105012.db2.gz SXPBRHKAUOTXPX-FJIJXJHWSA-N 1 1 539.702 3.327 40 0 biogenic,in-vitro KGABMO CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CC[NH+](C)CC4)o3)c(=O)n2[C@@H]1c1ccccc1 ZINC000008767101 553139333 /nfs/dbraw/zinc/13/93/33/553139333.db2.gz SFACYNHERXFXKP-CZZSLVPDSA-N 1 1 554.672 3.280 40 0 KGABMO CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CC[NH+](C)CC4)o3)c(=O)n2[C@H]1c1ccccc1 ZINC000008767105 553139394 /nfs/dbraw/zinc/13/93/94/553139394.db2.gz SFACYNHERXFXKP-CEIJNUMJSA-N 1 1 554.672 3.280 40 0 KGABMO CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CC[NH+](C)CC4)o3)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000008767113 553139328 /nfs/dbraw/zinc/13/93/28/553139328.db2.gz PXBKXRBBMQMJHS-RKVROBFMSA-N 1 1 584.698 3.289 40 0 KGABMO CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CC[NH+](C)CC4)o3)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000008767116 553139367 /nfs/dbraw/zinc/13/93/67/553139367.db2.gz PXBKXRBBMQMJHS-XMYFTLFESA-N 1 1 584.698 3.289 40 0 KGABMO COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000009062743 553205230 /nfs/dbraw/zinc/20/52/30/553205230.db2.gz PQVBOQQBWAMTBF-UHFFFAOYSA-N 1 1 526.030 3.359 40 0 KGABMO CC(C)Cn1c2nnc(CCC(=O)NCCC[NH+]3CCN(c4ccccc4F)CC3)n2c2ccccc2c1=O ZINC000009968923 553321878 /nfs/dbraw/zinc/32/18/78/553321878.db2.gz MHRVMSXMNKIXST-UHFFFAOYSA-N 1 1 533.652 3.100 40 0 KGABMO CCOc1ccc2[nH]c(=O)c(CN(CCC[NH+]3CCOCC3)Cc3nnnn3C3CCCCC3)cc2c1 ZINC000012833524 553421166 /nfs/dbraw/zinc/42/11/66/553421166.db2.gz XRBKPMCPJBSRGU-UHFFFAOYSA-N 1 1 509.655 3.143 40 0 KGABMO CCOC(=O)Cn1nnnc1[C@@H](CC)[N@@H+](CCc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000013064132 553443920 /nfs/dbraw/zinc/44/39/20/553443920.db2.gz FBTXZZJUIHTEHK-XMMPIXPASA-N 1 1 504.591 3.282 40 0 KGABMO CCOC(=O)Cn1nnnc1[C@@H](CC)[N@H+](CCc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000013064132 553443919 /nfs/dbraw/zinc/44/39/19/553443919.db2.gz FBTXZZJUIHTEHK-XMMPIXPASA-N 1 1 504.591 3.282 40 0 KGABMO CCOC(=O)Cn1nnnc1[C@H](CC)[N@@H+](CCc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000013064133 553443932 /nfs/dbraw/zinc/44/39/32/553443932.db2.gz FBTXZZJUIHTEHK-DEOSSOPVSA-N 1 1 504.591 3.282 40 0 KGABMO CCOC(=O)Cn1nnnc1[C@H](CC)[N@H+](CCc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000013064133 553443930 /nfs/dbraw/zinc/44/39/30/553443930.db2.gz FBTXZZJUIHTEHK-DEOSSOPVSA-N 1 1 504.591 3.282 40 0 KGABMO CCOC(=O)Cn1nnnc1[C@@H](CC)[N@@H+](CCc1ccccc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000013064305 553444055 /nfs/dbraw/zinc/44/40/55/553444055.db2.gz KKHBENUHALCUDG-XMMPIXPASA-N 1 1 504.591 3.282 40 0 KGABMO CCOC(=O)Cn1nnnc1[C@@H](CC)[N@H+](CCc1ccccc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000013064305 553444053 /nfs/dbraw/zinc/44/40/53/553444053.db2.gz KKHBENUHALCUDG-XMMPIXPASA-N 1 1 504.591 3.282 40 0 KGABMO CCOC(=O)Cn1nnnc1[C@H](CC)[N@@H+](CCc1ccccc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000013064306 553443917 /nfs/dbraw/zinc/44/39/17/553443917.db2.gz KKHBENUHALCUDG-DEOSSOPVSA-N 1 1 504.591 3.282 40 0 KGABMO CCOC(=O)Cn1nnnc1[C@H](CC)[N@H+](CCc1ccccc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000013064306 553443916 /nfs/dbraw/zinc/44/39/16/553443916.db2.gz KKHBENUHALCUDG-DEOSSOPVSA-N 1 1 504.591 3.282 40 0 KGABMO CC[C@H](c1nnnn1CCOC)[N@@H+](CCc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000013064484 553444039 /nfs/dbraw/zinc/44/40/39/553444039.db2.gz BNUWSHMJPMITTN-HSZRJFAPSA-N 1 1 504.591 3.128 40 0 KGABMO CC[C@H](c1nnnn1CCOC)[N@H+](CCc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000013064484 553444037 /nfs/dbraw/zinc/44/40/37/553444037.db2.gz BNUWSHMJPMITTN-HSZRJFAPSA-N 1 1 504.591 3.128 40 0 KGABMO CC[C@@H](c1nnnn1CCOC)[N@@H+](CCc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000013064485 553443927 /nfs/dbraw/zinc/44/39/27/553443927.db2.gz BNUWSHMJPMITTN-QHCPKHFHSA-N 1 1 504.591 3.128 40 0 KGABMO CC[C@@H](c1nnnn1CCOC)[N@H+](CCc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000013064485 553443925 /nfs/dbraw/zinc/44/39/25/553443925.db2.gz BNUWSHMJPMITTN-QHCPKHFHSA-N 1 1 504.591 3.128 40 0 KGABMO CCOC(=O)Cn1nnnc1[C@@H](CC)[N@@H+](Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C1CCCCC1 ZINC000013064508 553443934 /nfs/dbraw/zinc/44/39/34/553443934.db2.gz QATVTTUJDHFTSA-OAQYLSRUSA-N 1 1 512.611 3.381 40 0 KGABMO CCOC(=O)Cn1nnnc1[C@H](CC)[N@@H+](Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C1CCCCC1 ZINC000013064509 553443971 /nfs/dbraw/zinc/44/39/71/553443971.db2.gz QATVTTUJDHFTSA-NRFANRHFSA-N 1 1 512.611 3.381 40 0 KGABMO CCOc1ccc2[nH]c(=O)c(CN(CCC[NH+]3CCOCC3)[C@@H](CC)c3nnnn3C(C)(C)C)cc2c1 ZINC000013494618 553460337 /nfs/dbraw/zinc/46/03/37/553460337.db2.gz ISRKMSYNYDJYQF-DEOSSOPVSA-N 1 1 511.671 3.344 40 0 KGABMO CCOc1ccc2[nH]c(=O)c(CN(CCC[NH+]3CCOCC3)[C@H](CC)c3nnnn3C(C)(C)C)cc2c1 ZINC000013494620 553460258 /nfs/dbraw/zinc/46/02/58/553460258.db2.gz ISRKMSYNYDJYQF-XMMPIXPASA-N 1 1 511.671 3.344 40 0 KGABMO CCC[C@H](c1nnnn1C[C@@H]1CCCO1)N(CCC[NH+]1CCOCC1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013500091 553465728 /nfs/dbraw/zinc/46/57/28/553465728.db2.gz OVRNLADIDDDIRU-IZZNHLLZSA-N 1 1 537.709 3.376 40 0 KGABMO CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)N(CCC[NH+]1CCOCC1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013500092 553465740 /nfs/dbraw/zinc/46/57/40/553465740.db2.gz OVRNLADIDDDIRU-UIOOFZCWSA-N 1 1 537.709 3.376 40 0 KGABMO COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000013581042 553475530 /nfs/dbraw/zinc/47/55/30/553475530.db2.gz QHJBZRXYYRPVOH-UHFFFAOYSA-N 1 1 511.619 3.389 40 0 KGABMO CS(=O)(=O)N(Cc1c(Cl)cccc1Cl)c1ccc(C(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000013681901 553484785 /nfs/dbraw/zinc/48/47/85/553484785.db2.gz KOIIQTMTIDSOAW-UHFFFAOYSA-N 1 1 500.448 3.412 40 0 KGABMO CC[NH+]1CCN(C(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(Br)c2)CC1 ZINC000014413580 553517101 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ZINC000019940836 553641238 /nfs/dbraw/zinc/64/12/38/553641238.db2.gz MXEWEBIIURBZMK-RPLLCQBOSA-N 1 1 513.646 3.218 40 0 KGABMO Cc1cc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CC[NH+](Cc4ccccc4)CC3)c(=O)[nH]c2cc1C ZINC000019940837 553641132 /nfs/dbraw/zinc/64/11/32/553641132.db2.gz MXEWEBIIURBZMK-IGKIAQTJSA-N 1 1 513.646 3.218 40 0 KGABMO Cc1cc2cc([C@H](c3nnnn3C[C@H]3CCCO3)N3CC[NH+](Cc4ccccc4)CC3)c(=O)[nH]c2cc1C ZINC000019940838 553641257 /nfs/dbraw/zinc/64/12/57/553641257.db2.gz MXEWEBIIURBZMK-SHQCIBLASA-N 1 1 513.646 3.218 40 0 KGABMO Cc1cc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)N3CC[NH+](Cc4ccccc4)CC3)c(=O)[nH]c2cc1C ZINC000019940839 553641187 /nfs/dbraw/zinc/64/11/87/553641187.db2.gz MXEWEBIIURBZMK-SQHAQQRYSA-N 1 1 513.646 3.218 40 0 KGABMO Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)N3CC[NH+](Cc4ccccc4)CC3)cc12 ZINC000019940914 553641663 /nfs/dbraw/zinc/64/16/63/553641663.db2.gz TWBVXOPNOQJURS-WNCULLNHSA-N 1 1 513.646 3.218 40 0 KGABMO Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CC[NH+](Cc4ccccc4)CC3)cc12 ZINC000019940915 553641669 /nfs/dbraw/zinc/64/16/69/553641669.db2.gz TWBVXOPNOQJURS-HOFKKMOUSA-N 1 1 513.646 3.218 40 0 KGABMO Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)N3CC[NH+](Cc4ccccc4)CC3)cc12 ZINC000019940916 553641658 /nfs/dbraw/zinc/64/16/58/553641658.db2.gz TWBVXOPNOQJURS-YIXXDRMTSA-N 1 1 513.646 3.218 40 0 KGABMO Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)N3CC[NH+](Cc4ccccc4)CC3)cc12 ZINC000019940917 553641676 /nfs/dbraw/zinc/64/16/76/553641676.db2.gz TWBVXOPNOQJURS-KCWPFWIISA-N 1 1 513.646 3.218 40 0 KGABMO Cc1cc(C)c2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N3CC[NH+](Cc4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000019940990 553642133 /nfs/dbraw/zinc/64/21/33/553642133.db2.gz YSKPVQKDEFNXJA-WNCULLNHSA-N 1 1 513.646 3.218 40 0 KGABMO Cc1cc(C)c2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CC[NH+](Cc4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000019940991 553642142 /nfs/dbraw/zinc/64/21/42/553642142.db2.gz YSKPVQKDEFNXJA-HOFKKMOUSA-N 1 1 513.646 3.218 40 0 KGABMO Cc1cc(C)c2cc([C@H](c3nnnn3C[C@H]3CCCO3)N3CC[NH+](Cc4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000019940992 553642150 /nfs/dbraw/zinc/64/21/50/553642150.db2.gz YSKPVQKDEFNXJA-YIXXDRMTSA-N 1 1 513.646 3.218 40 0 KGABMO Cc1cc(C)c2cc([C@@H](c3nnnn3C[C@H]3CCCO3)N3CC[NH+](Cc4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000019940993 553642125 /nfs/dbraw/zinc/64/21/25/553642125.db2.gz YSKPVQKDEFNXJA-KCWPFWIISA-N 1 1 513.646 3.218 40 0 KGABMO COc1cc2cc(CN(C(=S)NCCC[NH+]3CCOCC3)C3CCCCC3)c(=O)[nH]c2cc1OC ZINC000019941007 553642183 /nfs/dbraw/zinc/64/21/83/553642183.db2.gz JOYFAKBKFCITIY-UHFFFAOYSA-N 1 1 502.681 3.277 40 0 KGABMO COc1cc2cc(CN(CCC[NH+]3CCOCC3)C(=S)NCCc3ccccc3)c(=O)[nH]c2cc1OC ZINC000019941021 553642138 /nfs/dbraw/zinc/64/21/38/553642138.db2.gz UXQNBLZLJBYCEX-UHFFFAOYSA-N 1 1 524.687 3.187 40 0 KGABMO COc1cc2cc(CN(Cc3ccc(F)cc3)C(=S)NCCC[NH+]3CCOCC3)c(=O)[nH]c2cc1OC ZINC000019941026 553642172 /nfs/dbraw/zinc/64/21/72/553642172.db2.gz ZCWZRHHQJOCJJI-UHFFFAOYSA-N 1 1 528.650 3.283 40 0 KGABMO COc1cc2cc(CN(Cc3cccs3)C(=S)NCCC[NH+]3CCOCC3)c(=O)[nH]c2cc1OC ZINC000019941027 553642228 /nfs/dbraw/zinc/64/22/28/553642228.db2.gz RWPANDAYHFMKDP-UHFFFAOYSA-N 1 1 516.689 3.206 40 0 KGABMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C2CCN(S(=O)(=O)Cc3ccc(Br)cc3)CC2)C1 ZINC000020044966 553669752 /nfs/dbraw/zinc/66/97/52/553669752.db2.gz FYRZCBNGGXYNON-KDURUIRLSA-N 1 1 514.530 3.475 40 0 KGABMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C2CCN(S(=O)(=O)Cc3cccc(Br)c3)CC2)C1 ZINC000020051022 553671104 /nfs/dbraw/zinc/67/11/04/553671104.db2.gz FJJZUMNXQCCKIS-KDURUIRLSA-N 1 1 514.530 3.475 40 0 KGABMO CCC(C)(C)n1nnnc1[C@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020081119 553680218 /nfs/dbraw/zinc/68/02/18/553680218.db2.gz UDLRTFDCKRJSRU-VWLOTQADSA-N 1 1 515.618 3.296 40 0 KGABMO CCC(C)(C)n1nnnc1[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020081122 553680166 /nfs/dbraw/zinc/68/01/66/553680166.db2.gz UDLRTFDCKRJSRU-RUZDIDTESA-N 1 1 515.618 3.296 40 0 KGABMO O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1C1CCCC1)N1CC[NH+](Cc2ccccc2)CC1)OCO3 ZINC000020081125 553680183 /nfs/dbraw/zinc/68/01/83/553680183.db2.gz XSWGPVLQHJTELJ-AREMUKBSSA-N 1 1 513.602 3.266 40 0 KGABMO O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1C1CCCC1)N1CC[NH+](Cc2ccccc2)CC1)OCO3 ZINC000020081128 553680156 /nfs/dbraw/zinc/68/01/56/553680156.db2.gz XSWGPVLQHJTELJ-SANMLTNESA-N 1 1 513.602 3.266 40 0 KGABMO Cc1ccc(CN(Cc2cc3cc4c(cc3[nH]c2=O)OCO4)C(=S)NCCC[NH+]2CCOCC2)cc1 ZINC000020081399 553680228 /nfs/dbraw/zinc/68/02/28/553680228.db2.gz OAPOITQCHZDOAE-UHFFFAOYSA-N 1 1 508.644 3.164 40 0 KGABMO COc1cc2cc([C@@H](c3nnnn3C(C)(C)C)N3CC[NH+](Cc4ccccc4)CC3)c(=O)[nH]c2cc1OC ZINC000020084179 553685552 /nfs/dbraw/zinc/68/55/52/553685552.db2.gz MZRCNXATEPGTHR-VWLOTQADSA-N 1 1 517.634 3.194 40 0 KGABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 ZINC000020107834 553690826 /nfs/dbraw/zinc/69/08/26/553690826.db2.gz KYHALNSRHVDDJA-UHFFFAOYSA-N 1 1 518.595 3.464 40 0 KGABMO COc1ccccc1NC(=O)N(CCC[NH+]1CCOCC1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000020109241 553692109 /nfs/dbraw/zinc/69/21/09/553692109.db2.gz JBVOEPIXOFDDIZ-UHFFFAOYSA-N 1 1 510.591 3.310 40 0 KGABMO COc1ccc(NC(=O)N(CCC[NH+]2CCOCC2)Cc2cc3cc(OC)c(OC)cc3[nH]c2=O)cc1 ZINC000020109243 553691934 /nfs/dbraw/zinc/69/19/34/553691934.db2.gz FLGVDPLDOGWACY-UHFFFAOYSA-N 1 1 510.591 3.310 40 0 KGABMO COc1ccccc1NC(=O)N(CCC[NH+]1CCOCC1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000020109258 553692385 /nfs/dbraw/zinc/69/23/85/553692385.db2.gz JOFMYAJKRKBCSL-UHFFFAOYSA-N 1 1 508.575 3.064 40 0 KGABMO COc1ccc(NC(=O)N(CCC[NH+]2CCOCC2)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1 ZINC000020109260 553692374 /nfs/dbraw/zinc/69/23/74/553692374.db2.gz CHGHEJOTZXUONQ-UHFFFAOYSA-N 1 1 508.575 3.064 40 0 KGABMO Cc1ccc2cc(CN(CCC[NH+]3CCOCC3)Cc3nnnn3Cc3ccc(F)cc3)c(=O)[nH]c2c1C ZINC000020109343 553692733 /nfs/dbraw/zinc/69/27/33/553692733.db2.gz BZHOXGSGBLIRJC-UHFFFAOYSA-N 1 1 519.625 3.043 40 0 KGABMO Cc1ccc(C)c2[nH]c(=O)c(CN(CCC[NH+]3CCOCC3)Cc3nnnn3Cc3ccc(F)cc3)cc12 ZINC000020109344 553692645 /nfs/dbraw/zinc/69/26/45/553692645.db2.gz JDFVTWIPMZNMKH-UHFFFAOYSA-N 1 1 519.625 3.043 40 0 KGABMO Cc1ccc(C)c2[nH]c(=O)c(CN(CCC[NH+]3CCOCC3)Cc3nnnn3CCc3ccccc3)cc12 ZINC000020109346 553692569 /nfs/dbraw/zinc/69/25/69/553692569.db2.gz ABEODTJHNXLBTC-UHFFFAOYSA-N 1 1 515.662 3.099 40 0 KGABMO Cc1cc(C)c2[nH]c(=O)c(CN(CCC[NH+]3CCOCC3)Cc3nnnn3Cc3ccc(F)cc3)cc2c1 ZINC000020109441 553693330 /nfs/dbraw/zinc/69/33/30/553693330.db2.gz ZHEQVFWJDDDZCS-UHFFFAOYSA-N 1 1 519.625 3.043 40 0 KGABMO COc1ccc(N(CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)S(C)(=O)=O)c(OC)c1 ZINC000020237110 553623488 /nfs/dbraw/zinc/62/34/88/553623488.db2.gz UOAOKQNUOYZXJW-UHFFFAOYSA-N 1 1 523.655 3.404 40 0 KGABMO O=C(C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020489040 553659768 /nfs/dbraw/zinc/65/97/68/553659768.db2.gz HMLRNJAAIPKMMJ-UHFFFAOYSA-N 1 1 520.493 3.335 40 0 KGABMO CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3n(c2=O)C[C@H]2C[C@@H]3C[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000020503582 553667551 /nfs/dbraw/zinc/66/75/51/553667551.db2.gz FAWVQCCSODKGRI-VQTJNVASSA-N 1 1 510.591 3.366 40 0 biogenic,in-vitro KGABMO Cc1cc(O)cc(Cl)c1NC(=O)c1cnc(Nc2cc(N3CC[NH+](CCO)CC3)nc(C)n2)s1 ZINC000022060324 553725161 /nfs/dbraw/zinc/72/51/61/553725161.db2.gz YYTXGSVGHHVHNZ-UHFFFAOYSA-N 1 1 504.016 3.019 40 0 in-vitro KGABMO COc1ccc(C)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022246888 553730126 /nfs/dbraw/zinc/73/01/26/553730126.db2.gz TXNRQQDEMLIZLU-VWLOTQADSA-N 1 1 507.656 3.238 40 0 KGABMO COc1ccc(C)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022246892 553730082 /nfs/dbraw/zinc/73/00/82/553730082.db2.gz TXNRQQDEMLIZLU-RUZDIDTESA-N 1 1 507.656 3.238 40 0 KGABMO COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000022247217 553730255 /nfs/dbraw/zinc/73/02/55/553730255.db2.gz PIKHQJDKJYBPRL-SANMLTNESA-N 1 1 507.656 3.238 40 0 KGABMO COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000022247220 553730318 /nfs/dbraw/zinc/73/03/18/553730318.db2.gz PIKHQJDKJYBPRL-AREMUKBSSA-N 1 1 507.656 3.238 40 0 KGABMO CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000022247713 553730771 /nfs/dbraw/zinc/73/07/71/553730771.db2.gz BPTHYTWGAPZVTD-MHZLTWQESA-N 1 1 507.656 3.319 40 0 KGABMO CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000022247716 553730789 /nfs/dbraw/zinc/73/07/89/553730789.db2.gz BPTHYTWGAPZVTD-HHHXNRCGSA-N 1 1 507.656 3.319 40 0 KGABMO COc1cc(C(=O)OCCCN(C)CC[N@@H+](C)CCCOC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000022463202 553742641 /nfs/dbraw/zinc/74/26/41/553742641.db2.gz KRQAMFQCSAJCRH-UHFFFAOYSA-N 1 1 592.686 3.396 40 0 in-man KGABMO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CC[NH+](Cc4ccc(OC)cc4)CC3)cc2c1 ZINC000022866433 553763655 /nfs/dbraw/zinc/76/36/55/553763655.db2.gz OWHAYWVVWLONQH-LSYYVWMOSA-N 1 1 543.672 3.172 40 0 KGABMO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CC[NH+](Cc4cccc(OC)c4)CC3)cc2c1 ZINC000022866438 553763805 /nfs/dbraw/zinc/76/38/05/553763805.db2.gz GSFMBFOEZGFOKP-LSYYVWMOSA-N 1 1 543.672 3.172 40 0 KGABMO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)N3CC[NH+](Cc4ccc(OC)cc4)CC3)cc2c1 ZINC000022866452 553763697 /nfs/dbraw/zinc/76/36/97/553763697.db2.gz OWHAYWVVWLONQH-NAKRPHOHSA-N 1 1 543.672 3.172 40 0 KGABMO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)N3CC[NH+](Cc4cccc(OC)c4)CC3)cc2c1 ZINC000022866457 553763690 /nfs/dbraw/zinc/76/36/90/553763690.db2.gz GSFMBFOEZGFOKP-NAKRPHOHSA-N 1 1 543.672 3.172 40 0 KGABMO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)N3CC[NH+](Cc4ccc(OC)cc4)CC3)cc2c1 ZINC000022866546 553764095 /nfs/dbraw/zinc/76/40/95/553764095.db2.gz OWHAYWVVWLONQH-LBNVMWSVSA-N 1 1 543.672 3.172 40 0 KGABMO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)N3CC[NH+](Cc4cccc(OC)c4)CC3)cc2c1 ZINC000022866551 553764151 /nfs/dbraw/zinc/76/41/51/553764151.db2.gz GSFMBFOEZGFOKP-LBNVMWSVSA-N 1 1 543.672 3.172 40 0 KGABMO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)N3CC[NH+](Cc4ccc(OC)cc4)CC3)cc2c1 ZINC000022866568 553764044 /nfs/dbraw/zinc/76/40/44/553764044.db2.gz OWHAYWVVWLONQH-LEAFIULHSA-N 1 1 543.672 3.172 40 0 KGABMO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)N3CC[NH+](Cc4cccc(OC)c4)CC3)cc2c1 ZINC000022866574 553764057 /nfs/dbraw/zinc/76/40/57/553764057.db2.gz GSFMBFOEZGFOKP-LEAFIULHSA-N 1 1 543.672 3.172 40 0 KGABMO COc1ccc(C[NH+]2CCN([C@H](c3nnnn3Cc3ccccc3)c3cc4ccc(OC)cc4[nH]c3=O)CC2)cc1 ZINC000022867607 553764316 /nfs/dbraw/zinc/76/43/16/553764316.db2.gz WBILBNQCZMBBGV-LJAQVGFWSA-N 1 1 551.651 3.487 40 0 KGABMO COc1ccc(C[NH+]2CCN([C@@H](c3nnnn3Cc3ccccc3)c3cc4ccc(OC)cc4[nH]c3=O)CC2)cc1 ZINC000022867621 553764487 /nfs/dbraw/zinc/76/44/87/553764487.db2.gz WBILBNQCZMBBGV-GDLZYMKVSA-N 1 1 551.651 3.487 40 0 KGABMO COc1cccc(C[NH+]2CCN([C@H](c3nnnn3C[C@@H]3CCCO3)c3cc4c(C)cc(C)cc4[nH]c3=O)CC2)c1 ZINC000022869777 553765010 /nfs/dbraw/zinc/76/50/10/553765010.db2.gz GJVBGNDACSPKTA-CUBQBAPOSA-N 1 1 543.672 3.226 40 0 KGABMO COc1cccc(C[NH+]2CCN([C@H](c3nnnn3C[C@H]3CCCO3)c3cc4c(C)cc(C)cc4[nH]c3=O)CC2)c1 ZINC000022869792 553764984 /nfs/dbraw/zinc/76/49/84/553764984.db2.gz GJVBGNDACSPKTA-YWEHKCAJSA-N 1 1 543.672 3.226 40 0 KGABMO COc1cccc(C[NH+]2CCN([C@@H](c3nnnn3C[C@@H]3CCCO3)c3cc4c(C)cc(C)cc4[nH]c3=O)CC2)c1 ZINC000022869855 553765022 /nfs/dbraw/zinc/76/50/22/553765022.db2.gz GJVBGNDACSPKTA-RBJSKKJNSA-N 1 1 543.672 3.226 40 0 KGABMO COc1cccc(C[NH+]2CCN([C@@H](c3nnnn3C[C@H]3CCCO3)c3cc4c(C)cc(C)cc4[nH]c3=O)CC2)c1 ZINC000022869869 553764997 /nfs/dbraw/zinc/76/49/97/553764997.db2.gz GJVBGNDACSPKTA-UFHPHHKVSA-N 1 1 543.672 3.226 40 0 KGABMO COc1ccc(C[NH+]2CCN([C@H](c3nnnn3C[C@@H]3CCCO3)c3cc4cc(C)c(C)cc4[nH]c3=O)CC2)cc1 ZINC000022870159 553765050 /nfs/dbraw/zinc/76/50/50/553765050.db2.gz WLHXMVIKUBCRSX-LSYYVWMOSA-N 1 1 543.672 3.226 40 0 KGABMO COc1cccc(C[NH+]2CCN([C@H](c3nnnn3C[C@@H]3CCCO3)c3cc4cc(C)c(C)cc4[nH]c3=O)CC2)c1 ZINC000022870165 553765202 /nfs/dbraw/zinc/76/52/02/553765202.db2.gz XVWATLRQLRHRPS-LSYYVWMOSA-N 1 1 543.672 3.226 40 0 KGABMO COc1ccc(C[NH+]2CCN([C@H](c3nnnn3C[C@H]3CCCO3)c3cc4cc(C)c(C)cc4[nH]c3=O)CC2)cc1 ZINC000022870176 553765341 /nfs/dbraw/zinc/76/53/41/553765341.db2.gz WLHXMVIKUBCRSX-NAKRPHOHSA-N 1 1 543.672 3.226 40 0 KGABMO COc1cccc(C[NH+]2CCN([C@H](c3nnnn3C[C@H]3CCCO3)c3cc4cc(C)c(C)cc4[nH]c3=O)CC2)c1 ZINC000022870185 553765207 /nfs/dbraw/zinc/76/52/07/553765207.db2.gz XVWATLRQLRHRPS-NAKRPHOHSA-N 1 1 543.672 3.226 40 0 KGABMO COc1ccc(C[NH+]2CCN([C@@H](c3nnnn3C[C@@H]3CCCO3)c3cc4cc(C)c(C)cc4[nH]c3=O)CC2)cc1 ZINC000022870259 553765275 /nfs/dbraw/zinc/76/52/75/553765275.db2.gz WLHXMVIKUBCRSX-LBNVMWSVSA-N 1 1 543.672 3.226 40 0 KGABMO COc1cccc(C[NH+]2CCN([C@@H](c3nnnn3C[C@@H]3CCCO3)c3cc4cc(C)c(C)cc4[nH]c3=O)CC2)c1 ZINC000022870268 553765220 /nfs/dbraw/zinc/76/52/20/553765220.db2.gz XVWATLRQLRHRPS-LBNVMWSVSA-N 1 1 543.672 3.226 40 0 KGABMO COc1ccc(C[NH+]2CCN([C@@H](c3nnnn3C[C@H]3CCCO3)c3cc4cc(C)c(C)cc4[nH]c3=O)CC2)cc1 ZINC000022870279 553765270 /nfs/dbraw/zinc/76/52/70/553765270.db2.gz WLHXMVIKUBCRSX-LEAFIULHSA-N 1 1 543.672 3.226 40 0 KGABMO COc1cccc(C[NH+]2CCN([C@@H](c3nnnn3C[C@H]3CCCO3)c3cc4cc(C)c(C)cc4[nH]c3=O)CC2)c1 ZINC000022870287 553765297 /nfs/dbraw/zinc/76/52/97/553765297.db2.gz XVWATLRQLRHRPS-LEAFIULHSA-N 1 1 543.672 3.226 40 0 KGABMO O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1Cc1ccccc1)N1CC[NH+](Cc2ccccc2)CC1)OCO3 ZINC000022873022 553766133 /nfs/dbraw/zinc/76/61/33/553766133.db2.gz YPVBFHFIFMMWRH-MUUNZHRXSA-N 1 1 535.608 3.199 40 0 KGABMO O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1Cc1ccccc1)N1CC[NH+](Cc2ccccc2)CC1)OCO3 ZINC000022873029 553766149 /nfs/dbraw/zinc/76/61/49/553766149.db2.gz YPVBFHFIFMMWRH-NDEPHWFRSA-N 1 1 535.608 3.199 40 0 KGABMO CCCc1ccc(OC[C@@H](O)C[NH+]2CCN(CCN3C(=O)c4cccc5cccc(c54)C3=O)CC2)cc1 ZINC000022914684 553766476 /nfs/dbraw/zinc/76/64/76/553766476.db2.gz GAEIXBOXEMOUKU-DEOSSOPVSA-N 1 1 501.627 3.446 40 0 KGABMO CCCc1ccc(OC[C@H](O)C[NH+]2CCN(CCN3C(=O)c4cccc5cccc(c54)C3=O)CC2)cc1 ZINC000022914690 553766543 /nfs/dbraw/zinc/76/65/43/553766543.db2.gz GAEIXBOXEMOUKU-XMMPIXPASA-N 1 1 501.627 3.446 40 0 KGABMO Cc1cc(Cl)ccc1OC[C@@H](O)C[NH+]1CCN(CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000022914738 553766589 /nfs/dbraw/zinc/76/65/89/553766589.db2.gz QOIWETXTULDBRB-QFIPXVFZSA-N 1 1 508.018 3.455 40 0 KGABMO Cc1cc(Cl)ccc1OC[C@H](O)C[NH+]1CCN(CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000022914743 553766519 /nfs/dbraw/zinc/76/65/19/553766519.db2.gz QOIWETXTULDBRB-JOCHJYFZSA-N 1 1 508.018 3.455 40 0 KGABMO Cc1cc(OC[C@@H](O)C[NH+]2CCN(CCN3C(=O)c4cccc5cccc(c54)C3=O)CC2)ccc1Cl ZINC000022914746 553766377 /nfs/dbraw/zinc/76/63/77/553766377.db2.gz WEONWNKIMHBWDP-NRFANRHFSA-N 1 1 508.018 3.455 40 0 KGABMO Cc1cc(OC[C@H](O)C[NH+]2CCN(CCN3C(=O)c4cccc5cccc(c54)C3=O)CC2)ccc1Cl ZINC000022914752 553766364 /nfs/dbraw/zinc/76/63/64/553766364.db2.gz WEONWNKIMHBWDP-OAQYLSRUSA-N 1 1 508.018 3.455 40 0 KGABMO COc1ccc2cc([C@H](c3nnnn3C3CCCC3)N3CC[NH+](Cc4ccccc4)CC3)c3nnnn3c2c1 ZINC000022930105 553767882 /nfs/dbraw/zinc/76/78/82/553767882.db2.gz PHGGDQBHKRSJIF-AREMUKBSSA-N 1 1 524.633 3.295 40 0 KGABMO COc1ccc2cc([C@@H](c3nnnn3C3CCCC3)N3CC[NH+](Cc4ccccc4)CC3)c3nnnn3c2c1 ZINC000022930107 553767835 /nfs/dbraw/zinc/76/78/35/553767835.db2.gz PHGGDQBHKRSJIF-SANMLTNESA-N 1 1 524.633 3.295 40 0 KGABMO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCN(C)CC2)c2cc(Cl)cc(Cl)c2)cc1 ZINC000022933230 553767679 /nfs/dbraw/zinc/76/76/79/553767679.db2.gz CDNUXDNQYHBFPO-UHFFFAOYSA-N 1 1 513.491 3.251 40 0 KGABMO CN1CC[NH+](CCCNC(=O)c2ccc(N(Cc3c(Cl)cccc3Cl)S(C)(=O)=O)cc2)CC1 ZINC000022934698 553767773 /nfs/dbraw/zinc/76/77/73/553767773.db2.gz DHGIOAPGBGUSCJ-UHFFFAOYSA-N 1 1 513.491 3.327 40 0 KGABMO CN1CC[NH+](CCCNC(=O)c2ccc(CN(c3ccccc3)S(=O)(=O)c3ccccc3)cc2)CC1 ZINC000022934707 553767782 /nfs/dbraw/zinc/76/77/82/553767782.db2.gz QCAXRNUAFYPGJQ-UHFFFAOYSA-N 1 1 506.672 3.449 40 0 KGABMO CN1CC[NH+](CCCNC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)CC1 ZINC000022935169 553768125 /nfs/dbraw/zinc/76/81/25/553768125.db2.gz XERCBXJIKBRIBI-UHFFFAOYSA-N 1 1 506.672 3.449 40 0 KGABMO CN1CC[NH+](CCCNC(=O)c2ccc(CN(c3cccc(Cl)c3Cl)S(C)(=O)=O)cc2)CC1 ZINC000022935216 553768131 /nfs/dbraw/zinc/76/81/31/553768131.db2.gz ARCHDMPSEGYHGB-UHFFFAOYSA-N 1 1 513.491 3.327 40 0 KGABMO CN(C)S(=O)(=O)N(CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1ccc(F)cc1 ZINC000023510855 553787312 /nfs/dbraw/zinc/78/73/12/553787312.db2.gz ZKXVLTNSGIGAJN-UHFFFAOYSA-N 1 1 510.635 3.372 40 0 KGABMO CN(C)S(=O)(=O)N(CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1ccccc1F ZINC000030755316 553856557 /nfs/dbraw/zinc/85/65/57/553856557.db2.gz QRPDSHURIJRJQP-UHFFFAOYSA-N 1 1 510.635 3.372 40 0 KGABMO O=C(C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(CN2CCCCC2)on1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000031153361 553861131 /nfs/dbraw/zinc/86/11/31/553861131.db2.gz QEBJUYRPBPVXKT-VXKWHMMOSA-N 1 1 520.678 3.326 40 0 biogenic,in-vitro KGABMO CCC[C@@H](c1nnnn1C[C@H]1CCCO1)N(CCC[NH+]1CCOCC1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000033937301 553979622 /nfs/dbraw/zinc/97/96/22/553979622.db2.gz OVRNLADIDDDIRU-FTJBHMTQSA-N 1 1 537.709 3.376 40 0 KGABMO CCC[C@H](c1nnnn1C[C@H]1CCCO1)N(CCC[NH+]1CCOCC1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000033937302 553979606 /nfs/dbraw/zinc/97/96/06/553979606.db2.gz OVRNLADIDDDIRU-CLJLJLNGSA-N 1 1 537.709 3.376 40 0 KGABMO COc1ccc(OC)c(S(=O)(=O)N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)Cc2ccccc2)c1 ZINC000034914855 554029937 /nfs/dbraw/zinc/02/99/37/554029937.db2.gz JUUPGUOCCRKIKC-UHFFFAOYSA-N 1 1 523.655 3.239 40 0 KGABMO C[N@H+]1[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)NCc1ccc(F)cc1 ZINC000035442406 554054953 /nfs/dbraw/zinc/05/49/53/554054953.db2.gz DPIAGGXNBGANKI-ZDXQCDESSA-N 1 1 506.544 3.314 40 0 biogenic,in-vitro KGABMO COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@H+]1CC[C@@]2(O)CCCC[C@H]2[C@H]1c1ccc(O)c(OC)c1 ZINC000035807041 554076018 /nfs/dbraw/zinc/07/60/18/554076018.db2.gz GTSHSTJFTSYFBU-YCWFECCTSA-N 1 1 535.641 3.451 40 0 biogenic,in-vitro KGABMO COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2[C@H]1c1ccc(O)c(OC)c1 ZINC000035807041 554076016 /nfs/dbraw/zinc/07/60/16/554076016.db2.gz GTSHSTJFTSYFBU-YCWFECCTSA-N 1 1 535.641 3.451 40 0 biogenic,in-vitro KGABMO COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2[C@H]1c1ccc(O)c(OC)c1 ZINC000035807044 554076025 /nfs/dbraw/zinc/07/60/25/554076025.db2.gz GTSHSTJFTSYFBU-WLRFRTQGSA-N 1 1 535.641 3.451 40 0 biogenic,in-vitro KGABMO COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2[C@H]1c1ccc(O)c(OC)c1 ZINC000035807044 554076023 /nfs/dbraw/zinc/07/60/23/554076023.db2.gz GTSHSTJFTSYFBU-WLRFRTQGSA-N 1 1 535.641 3.451 40 0 biogenic,in-vitro KGABMO O=C(C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000038756096 554276663 /nfs/dbraw/zinc/27/66/63/554276663.db2.gz RIHMZGSNVJTVID-UHFFFAOYSA-N 1 1 520.493 3.335 40 0 KGABMO O=C(c1ccc(CS(=O)(=O)N2CCOCC2)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000038756259 554276721 /nfs/dbraw/zinc/27/67/21/554276721.db2.gz NCPNCUZEZIGZDY-UHFFFAOYSA-N 1 1 519.667 3.396 40 0 KGABMO COc1ccc(NC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)cc1S(=O)(=O)N1CCOCC1 ZINC000039745273 554279937 /nfs/dbraw/zinc/27/99/37/554279937.db2.gz DTZZEZBFUWZUHY-UHFFFAOYSA-N 1 1 526.030 3.359 40 0 KGABMO COc1ccc(N(CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)S(C)(=O)=O)cc1OC ZINC000044791420 554302824 /nfs/dbraw/zinc/30/28/24/554302824.db2.gz HNYGGSUKJONQNL-UHFFFAOYSA-N 1 1 523.655 3.404 40 0 KGABMO COc1ccc(N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000044792395 554302968 /nfs/dbraw/zinc/30/29/68/554302968.db2.gz JIQGUVCCWQMFCC-UHFFFAOYSA-N 1 1 509.628 3.244 40 0 KGABMO COc1ccc(OC)c(N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)S(=O)(=O)c2ccccc2)c1 ZINC000044792422 554303016 /nfs/dbraw/zinc/30/30/16/554303016.db2.gz OONJOEFYCHYMCN-UHFFFAOYSA-N 1 1 509.628 3.244 40 0 KGABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CN(c2ccc3c(c2)OCCO3)S(=O)(=O)c2ccccc2)cc1 ZINC000044885148 554307880 /nfs/dbraw/zinc/30/78/80/554307880.db2.gz SNKZBZDUXOSOME-UHFFFAOYSA-N 1 1 518.595 3.464 40 0 KGABMO CCCc1nn(C)c2c1nc(-c1cc(S(=O)(=O)N3C[C@@H](C)[NH2+][C@@H](C)C3)ccc1OCC)[nH]c2=S ZINC000059726312 554426818 /nfs/dbraw/zinc/42/68/18/554426818.db2.gz SCLUKEPFXXPARW-GASCZTMLSA-N 1 1 504.682 3.041 40 0 in-vitro KGABMO O=C(NC[C@H]1C[C@@H]2CCN1C[C@@H]2C[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1)c1ccc(C(F)(F)F)cc1 ZINC000067870818 1060024403 /nfs/dbraw/zinc/02/44/03/1060024403.db2.gz FVPAVIWPFOMMFD-RDYNEMLHSA-N 1 1 514.592 3.427 40 0 biogenic,in-vitro KGABMO OC[C@@H]1O[C@H](CN(Cc2ccc(F)cc2)Cc2ccc(F)cc2)[C@H]([NH+]2CCN(c3ccccc3)CC2)[C@@H]1O ZINC000067890375 554535037 /nfs/dbraw/zinc/53/50/37/554535037.db2.gz GHWKZNQRGWDDPL-IBHPWDLASA-N 1 1 523.624 3.278 40 0 biogenic,in-vitro KGABMO OC[C@@H]1O[C@H](C[NH+](Cc2ccc(F)cc2)Cc2ccc(F)cc2)[C@H](N2CCN(c3ccccc3)CC2)[C@@H]1O ZINC000067890375 554535034 /nfs/dbraw/zinc/53/50/34/554535034.db2.gz GHWKZNQRGWDDPL-IBHPWDLASA-N 1 1 523.624 3.278 40 0 biogenic,in-vitro KGABMO OC[C@@H]1O[C@H](C[NH+](Cc2ccc(F)cc2)Cc2ccc(F)cc2)[C@H](N2CCN(c3ccc(F)cc3)CC2)[C@@H]1O ZINC000067890384 554534978 /nfs/dbraw/zinc/53/49/78/554534978.db2.gz KVYSLMIPAMIAAH-IBHPWDLASA-N 1 1 541.614 3.418 40 0 biogenic,in-vitro KGABMO COc1ccccc1N1CCN([C@H]2[C@@H](C[NH+](Cc3ccc(F)cc3)Cc3ccc(F)cc3)O[C@@H](CO)[C@H]2O)CC1 ZINC000067890389 554534849 /nfs/dbraw/zinc/53/48/49/554534849.db2.gz KNOYTEFJQKNFEF-QNRWOPMTSA-N 1 1 553.650 3.287 40 0 biogenic,in-vitro KGABMO OC[C@@H]1O[C@H](C[NH+](Cc2cccc(Cl)c2)Cc2cccc(Cl)c2)[C@H](N2CCN(c3ncccn3)CC2)[C@@H]1O ZINC000067890396 291797418 /nfs/dbraw/zinc/79/74/18/291797418.db2.gz FFVJOSAXUCLGOY-LGTXBLIGSA-N 1 1 558.510 3.097 40 0 biogenic,in-vitro KGABMO C[C@H](C(=O)NCCN1CCOCC1)[C@@H]1CC[C@@]2(C)Cc3sc(NC(=O)c4ccc(C[NH+]5CCN(C)CC5)cc4)nc3[C@@H](C)[C@@H]2[C@H]1O ZINC000067898858 554535329 /nfs/dbraw/zinc/53/53/29/554535329.db2.gz XBUNPAUSTXWNJX-JTYAINGHSA-N 1 1 652.906 3.280 40 0 biogenic,in-vitro KGABMO C[C@H](C(=O)NCCN1CCOCC1)[C@H]1CC[C@@]2(C)Cc3sc(NC(=O)c4ccc(C[NH+]5CCN(C)CC5)cc4)nc3[C@@H](C)[C@@H]2[C@H]1O ZINC000067898859 554535343 /nfs/dbraw/zinc/53/53/43/554535343.db2.gz XBUNPAUSTXWNJX-NXXSYOELSA-N 1 1 652.906 3.280 40 0 biogenic,in-vitro KGABMO O=C(Nc1cccc2ccccc21)O[C@@H]1CO[C@@H]2[C@@H](n3nnnc3-c3ccc(C[NH+]4CCOCC4)cc3)CO[C@H]12 ZINC000067899003 554535521 /nfs/dbraw/zinc/53/55/21/554535521.db2.gz RMVWIOLDFRPDOJ-FICKONGGSA-N 1 1 542.596 3.282 40 0 biogenic,in-vitro KGABMO CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)C[NH2+]Cc1cccc(F)c1)C(C)(C)C)S(=O)(=O)c1cccc(N)c1 ZINC000067961398 554538176 /nfs/dbraw/zinc/53/81/76/554538176.db2.gz PNIFFZXGBAYVMQ-RKKDRKJOSA-N 1 1 669.864 3.464 40 0 KGABMO CN1C(=O)C(Cc2c(Cl)cccc2Cl)(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)C(=O)N(C)C1=S ZINC000070670075 553600111 /nfs/dbraw/zinc/60/01/11/553600111.db2.gz NWAGSDVYYITWJG-CVEARBPZSA-N 1 1 533.481 3.019 40 0 KGABMO COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@H+]1CC[C@@]2(O)CCCC[C@H]2[C@@H]1c1ccc(O)c(OC)c1 ZINC000070699891 553617468 /nfs/dbraw/zinc/61/74/68/553617468.db2.gz GTSHSTJFTSYFBU-HGYUMDDNSA-N 1 1 535.641 3.451 40 0 KGABMO COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2[C@@H]1c1ccc(O)c(OC)c1 ZINC000070699891 553617465 /nfs/dbraw/zinc/61/74/65/553617465.db2.gz GTSHSTJFTSYFBU-HGYUMDDNSA-N 1 1 535.641 3.451 40 0 KGABMO COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@H+]1CC[C@@]2(O)CCCC[C@H]2[C@@H]1c1ccc2c(c1)OCO2 ZINC000070700797 553619447 /nfs/dbraw/zinc/61/94/47/553619447.db2.gz HIHNMCOMSIMZIS-HGYUMDDNSA-N 1 1 533.625 3.465 40 0 KGABMO COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2[C@@H]1c1ccc2c(c1)OCO2 ZINC000070700797 553619441 /nfs/dbraw/zinc/61/94/41/553619441.db2.gz HIHNMCOMSIMZIS-HGYUMDDNSA-N 1 1 533.625 3.465 40 0 KGABMO COc1cc(CC2(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)N(C)C(=S)N(C)C2=O)ccc1OCc1ccccc1 ZINC000072330367 553649364 /nfs/dbraw/zinc/64/93/64/553649364.db2.gz KDTILOWFPYQUCP-RPBOFIJWSA-N 1 1 600.741 3.299 40 0 KGABMO COc1c(Br)cc(Br)cc1CC1(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)C(=O)N(C)C(=S)N(C)C1=O ZINC000079204391 553669902 /nfs/dbraw/zinc/66/99/02/553669902.db2.gz ONYLZMQSTCQFRI-WBVHZDCISA-N 1 1 652.409 3.245 40 0 KGABMO CC1(C)Cc2c(c(C(F)(F)F)nn2-c2ccc(C(N)=O)c(NC3CCC(OC(=O)C[NH3+])CC3)c2)C(=O)C1 ZINC000095616595 553706010 /nfs/dbraw/zinc/70/60/10/553706010.db2.gz AVDSOVJPJZVBTC-UHFFFAOYSA-N 1 1 521.540 3.370 40 0 investigational KGABMO CCOC(=O)[C@@H](CC(C)C)NC(=O)[C@@H]1C[C@]23C=C[C@]1(OC)[C@H]1Oc4c5c(ccc4OC)C[C@H]2[N@H+](C)CC[C@]513 ZINC000096316355 553749379 /nfs/dbraw/zinc/74/93/79/553749379.db2.gz VEAPZCOXUZHTML-MSDNZYNRSA-N 1 1 524.658 3.010 40 0 biogenic,in-vitro KGABMO CCOC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1C[C@]23C=C[C@]1(OC)[C@H]1Oc4c5c(ccc4OC)C[C@H]2[N@H+](C)CC[C@]513 ZINC000096316356 553749345 /nfs/dbraw/zinc/74/93/45/553749345.db2.gz VEAPZCOXUZHTML-JQIUXCOBSA-N 1 1 524.658 3.010 40 0 biogenic,in-vitro KGABMO CCOC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1C[C@]23C=C[C@]1(OC)[C@H]1Oc4c5c(ccc4OC)C[C@H]2[N@H+](C)CC[C@]513 ZINC000096316357 553749548 /nfs/dbraw/zinc/74/95/48/553749548.db2.gz VEAPZCOXUZHTML-HKJVFZJPSA-N 1 1 524.658 3.010 40 0 biogenic,in-vitro KGABMO CCOC(=O)[C@H](CC(C)C)NC(=O)[C@H]1C[C@]23C=C[C@]1(OC)[C@H]1Oc4c5c(ccc4OC)C[C@H]2[N@H+](C)CC[C@]513 ZINC000096316358 553749358 /nfs/dbraw/zinc/74/93/58/553749358.db2.gz VEAPZCOXUZHTML-JLCYRNKRSA-N 1 1 524.658 3.010 40 0 biogenic,in-vitro KGABMO C[N@H+]1[C@@H]2CCN(Cc3cccc(OC(F)(F)F)c3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)NCc1ccccc1 ZINC000096536585 553755493 /nfs/dbraw/zinc/75/54/93/553755493.db2.gz XJEYPZOJYCFWDY-FJIJXJHWSA-N 1 1 504.553 3.055 40 0 biogenic,in-vitro KGABMO C[N@H+]1[C@@H]2CCN(Cc3cccc(OC(F)(F)F)c3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)NCc1cccs1 ZINC000096536594 553755445 /nfs/dbraw/zinc/75/54/45/553755445.db2.gz CCDFDNQTVUTFJX-WEYGHZABSA-N 1 1 510.582 3.116 40 0 biogenic,in-vitro KGABMO C[C@H]1[NH2+][C@@]2(c3ccccc3N(CC(=O)N3CCc4ccccc43)C2=O)[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]12 ZINC000098006370 554061837 /nfs/dbraw/zinc/06/18/37/554061837.db2.gz JMBVWTIZYQPIAZ-VIEKCMOGSA-N 1 1 541.007 3.269 40 0 KGABMO CC(C)[N@@H+](C[C@H]1O[C@@H](n2cnc3c2ncnc3N)[C@H](O)[C@@H]1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1 ZINC000098043806 554128968 /nfs/dbraw/zinc/12/89/68/554128968.db2.gz LXFOLMYKSYSZQS-XKHGBIBOSA-N 1 1 562.719 3.323 40 0 in-vitro KGABMO CC(C)[N@H+](C[C@H]1O[C@@H](n2cnc3c2ncnc3N)[C@H](O)[C@@H]1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1 ZINC000098043806 554128967 /nfs/dbraw/zinc/12/89/67/554128967.db2.gz LXFOLMYKSYSZQS-XKHGBIBOSA-N 1 1 562.719 3.323 40 0 in-vitro KGABMO CC(C)[N@@H+](C[C@H]1O[C@@H](n2cnc3c2ncnc3N)[C@H](O)[C@@H]1O)C1CC(CCc2nc3cc(C(C)(C)C)ccc3[nH]2)C1 ZINC000098043806 554128965 /nfs/dbraw/zinc/12/89/65/554128965.db2.gz LXFOLMYKSYSZQS-XKHGBIBOSA-N 1 1 562.719 3.323 40 0 in-vitro KGABMO CC1(C)Cc2c(c(C(F)(F)F)nn2-c2ccc(C(N)=O)c(N[C@H]3CC[C@H](OC(=O)C[NH3+])CC3)c2)C(=O)C1 ZINC000100071931 554202068 /nfs/dbraw/zinc/20/20/68/554202068.db2.gz AVDSOVJPJZVBTC-OTVXOJSOSA-N 1 1 521.540 3.370 40 0 KGABMO COc1ccc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1S(=O)(=O)N1CCOCC1 ZINC000100136379 554226954 /nfs/dbraw/zinc/22/69/54/554226954.db2.gz QOQTZVVDNUGQBI-UHFFFAOYSA-N 1 1 535.666 3.264 40 0 KGABMO C[C@H]1[NH2+][C@@]2(c3ccccc3N(CC(=O)N3CCc4ccccc43)C2=O)[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]12 ZINC000100164669 554235801 /nfs/dbraw/zinc/23/58/01/554235801.db2.gz JMBVWTIZYQPIAZ-WFIVNUIRSA-N 1 1 541.007 3.269 40 0 KGABMO COc1ccc(-c2nnn(CC(=O)N(CCC[NH+]3CCOCC3)[C@H](C(=O)NC3CCCCC3)c3ccc(F)cc3)n2)cc1OC ZINC000100276790 554273928 /nfs/dbraw/zinc/27/39/28/554273928.db2.gz OSEUIJPKKJDCTP-PMERELPUSA-N 1 1 623.730 3.238 40 0 KGABMO COc1ccc(-c2nnn(CC(=O)N(CCC[NH+]3CCOCC3)[C@@H](C(=O)NC3CCCCC3)c3ccc(F)cc3)n2)cc1OC ZINC000100276792 554273971 /nfs/dbraw/zinc/27/39/71/554273971.db2.gz OSEUIJPKKJDCTP-SSEXGKCCSA-N 1 1 623.730 3.238 40 0 KGABMO CC(C)[N@@H+](C[C@H]1O[C@@H](n2cnc3c2ncnc3N)[C@@H](O)[C@@H]1O)C1CC(CCc2nc3cc(C(C)(C)C)ccc3[nH]2)C1 ZINC000100284000 554277211 /nfs/dbraw/zinc/27/72/11/554277211.db2.gz LXFOLMYKSYSZQS-ZUDHOWKCSA-N 1 1 562.719 3.323 40 0 KGABMO CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccs2)n2c(=O)/c(=C\c3ccc(N4CC[NH+](C)CC4)o3)sc2=N1 ZINC000100306116 554294367 /nfs/dbraw/zinc/29/43/67/554294367.db2.gz GTZRNRGODSMGES-MSMNXAATSA-N 1 1 545.690 3.280 40 0 KGABMO CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccs2)n2c(=O)/c(=C\c3ccc(N4CC[NH+](C)CC4)o3)sc2=N1 ZINC000100306123 554294383 /nfs/dbraw/zinc/29/43/83/554294383.db2.gz GTZRNRGODSMGES-CUPKDKKMSA-N 1 1 545.690 3.280 40 0 KGABMO CCC[C@@H](c1nnnn1C(C)(C)CC)N(CCC[NH+]1CCOCC1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000100384998 554364474 /nfs/dbraw/zinc/36/44/74/554364474.db2.gz KBTXONGACCQHSL-DEOSSOPVSA-N 1 1 553.708 3.497 40 0 KGABMO CCC[C@H](c1nnnn1C(C)(C)CC)N(CCC[NH+]1CCOCC1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000100385003 554364602 /nfs/dbraw/zinc/36/46/02/554364602.db2.gz KBTXONGACCQHSL-XMMPIXPASA-N 1 1 553.708 3.497 40 0 KGABMO CC[C@@H](c1nnnn1CCc1ccccc1)N(CCC[NH+]1CCOCC1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000100390318 554366461 /nfs/dbraw/zinc/36/64/61/554366461.db2.gz UXIAOFDWZSTKIZ-SANMLTNESA-N 1 1 559.671 3.162 40 0 KGABMO CC[C@H](c1nnnn1CCc1ccccc1)N(CCC[NH+]1CCOCC1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000100390321 554366549 /nfs/dbraw/zinc/36/65/49/554366549.db2.gz UXIAOFDWZSTKIZ-AREMUKBSSA-N 1 1 559.671 3.162 40 0 KGABMO O=C1c2cccc3cccc(c32)C(=O)N1CCN1CC[NH+](C[C@@H](O)COc2ccccc2Br)CC1 ZINC000100926648 554524218 /nfs/dbraw/zinc/52/42/18/554524218.db2.gz PAPVHKRHCGTAHN-HXUWFJFHSA-N 1 1 538.442 3.256 40 0 KGABMO O=C1c2cccc3cccc(c32)C(=O)N1CCN1CC[NH+](C[C@H](O)COc2ccccc2Br)CC1 ZINC000100926651 554524186 /nfs/dbraw/zinc/52/41/86/554524186.db2.gz PAPVHKRHCGTAHN-FQEVSTJZSA-N 1 1 538.442 3.256 40 0 KGABMO O=C(NCCC[NH+]1CCOCC1)c1cc(Br)cc(Br)c1I ZINC000101055524 554569488 /nfs/dbraw/zinc/56/94/88/554569488.db2.gz QJCYMVMIUIETHT-UHFFFAOYSA-N 1 1 532.014 3.268 40 0 KGABMO CC1CCN(C[C@@H](O)COc2ccc(S(=O)(=O)c3ccc(OC[C@H](O)C[NH+]4CCC(C)CC4)cc3)cc2)CC1 ZINC000101210492 554679336 /nfs/dbraw/zinc/67/93/36/554679336.db2.gz BSNIHDRWOGMKQA-CLJLJLNGSA-N 1 1 560.757 3.463 40 0 KGABMO CC1CCN(C[C@H](O)COc2ccc(S(=O)(=O)c3ccc(OC[C@@H](O)C[NH+]4CCC(C)CC4)cc3)cc2)CC1 ZINC000101210494 554679251 /nfs/dbraw/zinc/67/92/51/554679251.db2.gz BSNIHDRWOGMKQA-UIOOFZCWSA-N 1 1 560.757 3.463 40 0 KGABMO CCO[C@H]1C[N@H+]([C@H]2CC[C@@](O)(c3ccc4c(c3)OCO4)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 ZINC000101378284 554747307 /nfs/dbraw/zinc/74/73/07/554747307.db2.gz MZEOSVPWMSEFPW-UTWBDPIXSA-N 1 1 577.600 3.200 40 0 in-vitro KGABMO Cn1c2nc(CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)n(CC(=O)c3ccccc3)c2c(=O)n(C)c1=O ZINC000101463720 554779848 /nfs/dbraw/zinc/77/98/48/554779848.db2.gz GSRIQHHAZDXSEI-UHFFFAOYSA-N 1 1 562.674 3.224 40 0 KGABMO CC(C)CCn1c2nnc(CCC(=O)NCCC[NH+]3CCN(c4ccccc4F)CC3)n2c2ccccc2c1=O ZINC000101533426 554795183 /nfs/dbraw/zinc/79/51/83/554795183.db2.gz SVZVUSZOPVNRKK-UHFFFAOYSA-N 1 1 547.679 3.491 40 0 KGABMO CC(C)OCCCn1c2nnc(CCC(=O)NCC[NH+]3CCN(c4cccc(Cl)c4)CC3)n2c2ccccc2c1=O ZINC000101533734 554795194 /nfs/dbraw/zinc/79/51/94/554795194.db2.gz HXAQIZVMZVYUCO-UHFFFAOYSA-N 1 1 580.133 3.384 40 0 KGABMO Cc1cccc(N2CC[NH+](CCNC(=O)CCc3nnc4n3c3ccccc3c(=O)n4CCCOC(C)C)CC2)c1C ZINC000101533753 554795243 /nfs/dbraw/zinc/79/52/43/554795243.db2.gz INBQAAHEBZEQRN-UHFFFAOYSA-N 1 1 573.742 3.347 40 0 KGABMO O=C1c2cccc3cccc(c32)C(=O)N1CCN1CC[NH+](C[C@H](O)COc2ccc(Br)cc2)CC1 ZINC000102731046 555023828 /nfs/dbraw/zinc/02/38/28/555023828.db2.gz KJUULNDIEKQEHM-NRFANRHFSA-N 1 1 538.442 3.256 40 0 KGABMO O=C1c2cccc3cccc(c32)C(=O)N1CCN1CC[NH+](C[C@@H](O)COc2ccc(Br)cc2)CC1 ZINC000102731051 555023746 /nfs/dbraw/zinc/02/37/46/555023746.db2.gz KJUULNDIEKQEHM-OAQYLSRUSA-N 1 1 538.442 3.256 40 0 KGABMO COc1ccc(CCN2C(=O)[C@@H]3[C@@H](C2=O)[C@@]2([NH2+][C@@H]3[C@H](O)c3ccc(Cl)cc3)C(=O)Nc3ccccc32)cc1OC ZINC000103515618 555423136 /nfs/dbraw/zinc/42/31/36/555423136.db2.gz WTUMFIBVVMVIOG-OFBRLNSMSA-N 1 1 562.022 3.054 40 0 KGABMO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@@H]([C@H](O)c2ccc(Cl)cc2)[NH2+][C@@]32C(=O)Nc3ccccc32)cc1OC ZINC000103515621 555423175 /nfs/dbraw/zinc/42/31/75/555423175.db2.gz WTUMFIBVVMVIOG-RABSFCNQSA-N 1 1 562.022 3.054 40 0 KGABMO COc1ccc(CCN2C(=O)[C@H]3[C@@H]([C@H](O)c4ccc(Cl)cc4)[NH2+][C@@]4(C(=O)Nc5ccccc54)[C@H]3C2=O)cc1OC ZINC000103515622 555423074 /nfs/dbraw/zinc/42/30/74/555423074.db2.gz WTUMFIBVVMVIOG-YFIKXWTHSA-N 1 1 562.022 3.054 40 0 KGABMO COc1ccc(CCN2C(=O)[C@@H]3[C@@H]([C@H](O)c4ccc(Cl)cc4)[NH2+][C@@]4(C(=O)Nc5ccccc54)[C@H]3C2=O)cc1OC ZINC000103515624 555423147 /nfs/dbraw/zinc/42/31/47/555423147.db2.gz WTUMFIBVVMVIOG-CCVAMQPPSA-N 1 1 562.022 3.054 40 0 KGABMO O=S1(=O)NC[C@H](O)C[N@@H+](Cc2ccc(OC(F)(F)F)cc2)C[C@]2(C[C@@H](O)[C@@H](O)C2)COc2cc(-c3ccccc3)ccc21 ZINC000108317978 1060060770 /nfs/dbraw/zinc/06/07/70/1060060770.db2.gz JHHJSDRAFUMSER-FWPHEPGVSA-N 1 1 622.662 3.288 40 0 KGABMO O=S1(=O)NC[C@H](O)C[N@H+](Cc2ccc(OC(F)(F)F)cc2)C[C@]2(C[C@@H](O)[C@@H](O)C2)COc2cc(-c3ccccc3)ccc21 ZINC000108317978 1060060749 /nfs/dbraw/zinc/06/07/49/1060060749.db2.gz JHHJSDRAFUMSER-FWPHEPGVSA-N 1 1 622.662 3.288 40 0 KGABMO CN1CC[NH+](CCCNC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(=O)(=O)c2ccccc2)CC1 ZINC000113629129 571441683 /nfs/dbraw/zinc/44/16/83/571441683.db2.gz BYZKNQJXMDOXJX-UHFFFAOYSA-N 1 1 533.016 3.308 40 0 KGABMO CN1CC[NH+](CCCNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)CC1 ZINC000113631987 571441850 /nfs/dbraw/zinc/44/18/50/571441850.db2.gz XOIWECFIBWNWQB-UHFFFAOYSA-N 1 1 533.016 3.308 40 0 KGABMO 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COc1ccc(S(=O)(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1C(=O)N1CCCCCC1 ZINC000224725813 571611405 /nfs/dbraw/zinc/61/14/05/571611405.db2.gz JGDLMKMIXSCGBR-UHFFFAOYSA-N 1 1 501.649 3.022 40 0 KGABMO COc1ccc(N(CCCC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)S(C)(=O)=O)cc1Cl ZINC000224726320 571611477 /nfs/dbraw/zinc/61/14/77/571611477.db2.gz DJDYJLOHJVZSHU-UHFFFAOYSA-N 1 1 510.056 3.043 40 0 KGABMO COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000224728513 571611731 /nfs/dbraw/zinc/61/17/31/571611731.db2.gz VSJWRYZXGFHGLL-UHFFFAOYSA-N 1 1 501.649 3.022 40 0 KGABMO CN(C)S(=O)(=O)N(Cc1ccc(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1)c1ccccc1F ZINC000224730811 571612044 /nfs/dbraw/zinc/61/20/44/571612044.db2.gz ZNYAPGWAPWQPIT-UHFFFAOYSA-N 1 1 540.661 3.401 40 0 KGABMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 ZINC000224732124 571612170 /nfs/dbraw/zinc/61/21/70/571612170.db2.gz SCUZMJSWPZJPQZ-SANMLTNESA-N 1 1 542.057 3.445 40 0 KGABMO 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Cc1ccc2c(c1)O[C@@H](C(=O)NCc1cccc(C[NH+]3CCOCC3)c1)CN2S(=O)(=O)c1ccccc1 ZINC000224740302 571612723 /nfs/dbraw/zinc/61/27/23/571612723.db2.gz GAAHYFLZAKIXAP-HHHXNRCGSA-N 1 1 521.639 3.100 40 0 KGABMO Cc1ccc2c(c1)O[C@H](C(=O)NCc1cccc(C[NH+]3CCOCC3)c1)CN2S(=O)(=O)c1ccccc1 ZINC000224740353 571612690 /nfs/dbraw/zinc/61/26/90/571612690.db2.gz GAAHYFLZAKIXAP-MHZLTWQESA-N 1 1 521.639 3.100 40 0 KGABMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2cc(Cl)ccc2O1 ZINC000224740490 571612782 /nfs/dbraw/zinc/61/27/82/571612782.db2.gz VBWQLTNPUDWKOG-SANMLTNESA-N 1 1 542.057 3.445 40 0 KGABMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)[C@H]1CN(S(=O)(=O)c2ccccc2)c2cc(Cl)ccc2O1 ZINC000224740543 571612747 /nfs/dbraw/zinc/61/27/47/571612747.db2.gz VBWQLTNPUDWKOG-AREMUKBSSA-N 1 1 542.057 3.445 40 0 KGABMO Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCc3cccc(C[NH+]4CCOCC4)c3)Oc3ccc(C)cc32)cc1 ZINC000224740603 571612784 /nfs/dbraw/zinc/61/27/84/571612784.db2.gz OYSMOTXLBRCHMA-NDEPHWFRSA-N 1 1 535.666 3.408 40 0 KGABMO 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O=C(NCc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 ZINC000224750774 571613821 /nfs/dbraw/zinc/61/38/21/571613821.db2.gz GLASSKKVLFVNAR-HSZRJFAPSA-N 1 1 506.068 3.030 40 0 KGABMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 ZINC000224750829 571613850 /nfs/dbraw/zinc/61/38/50/571613850.db2.gz GLASSKKVLFVNAR-QHCPKHFHSA-N 1 1 506.068 3.030 40 0 KGABMO O=c1sc2cc(S(=O)(=O)NCc3cccc(C[NH+]4CCOCC4)c3)ccc2n1Cc1ccccc1 ZINC000224757133 571614306 /nfs/dbraw/zinc/61/43/06/571614306.db2.gz UXSHPBHJRXWNRF-UHFFFAOYSA-N 1 1 509.653 3.422 40 0 KGABMO C[N@H+]1[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)N1CCc2ccccc21 ZINC000225439748 560042760 /nfs/dbraw/zinc/04/27/60/560042760.db2.gz ZCUOTWCJNWTVCR-PWWKTKHKSA-N 1 1 500.565 3.448 40 0 biogenic,in-vitro KGABMO COc1ccc(C[NH+]2CC3(C2)C(=O)N(Cc2cccc(Cl)c2)C(=O)[C@@H]2C[C@@H](O)CN23)c2ccccc12 ZINC000225440008 291790060 /nfs/dbraw/zinc/79/00/60/291790060.db2.gz UXDZFRBTGGBPIT-QPPBQGQZSA-N 1 1 506.002 3.060 40 0 biogenic,in-vitro KGABMO COc1ccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)cc1S(=O)(=O)N1CCOCC1 ZINC000225585197 571944071 /nfs/dbraw/zinc/94/40/71/571944071.db2.gz AJVOEGMQCJKSJA-UHFFFAOYSA-N 1 1 526.030 3.359 40 0 KGABMO COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225585254 571944015 /nfs/dbraw/zinc/94/40/15/571944015.db2.gz DCNLWWWSOGXLPA-UHFFFAOYSA-N 1 1 526.030 3.359 40 0 KGABMO CN(CC(=O)NCCNc1cc[nH+]c2cc(Cl)ccc12)S(=O)(=O)c1ccc(Br)cc1 ZINC000226021206 572106682 /nfs/dbraw/zinc/10/66/82/572106682.db2.gz STPGGFPPOVSFPL-UHFFFAOYSA-N 1 1 511.829 3.500 40 0 KGABMO COc1ccc(S(=O)(=O)N(C)CC(=O)NCCCNc2cc[nH+]c3cc(Cl)ccc23)cc1OC ZINC000226037319 572111520 /nfs/dbraw/zinc/11/15/20/572111520.db2.gz VJKAGPXZTHJHMI-UHFFFAOYSA-N 1 1 507.012 3.144 40 0 KGABMO CC(C)[N@@H+](C[C@@H]1O[C@H](n2cnc3c2ncnc3N)[C@@H](O)[C@H]1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1 ZINC000231363427 572186905 /nfs/dbraw/zinc/18/69/05/572186905.db2.gz LXFOLMYKSYSZQS-JMYAXFFQSA-N 1 1 562.719 3.323 40 0 in-vitro KGABMO CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N3CCC[C@H](C(=O)NCC[N@H+]4CCCC[C@H]4C)C3)c21 ZINC000245236180 572210202 /nfs/dbraw/zinc/21/02/02/572210202.db2.gz QOLMIFYUIJDNPF-QUCCMNQESA-N 1 1 569.566 3.140 40 0 KGABMO CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCC[N@H+]4CCCC[C@H]4C)C3)c21 ZINC000245236181 572210731 /nfs/dbraw/zinc/21/07/31/572210731.db2.gz QOLMIFYUIJDNPF-UYAOXDASSA-N 1 1 569.566 3.140 40 0 KGABMO COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@H+]1CC[C@]2(O)CCCC[C@@H]2[C@H]1c1ccc(O)c(OC)c1 ZINC000248127179 560036433 /nfs/dbraw/zinc/03/64/33/560036433.db2.gz GTSHSTJFTSYFBU-HHMXAWFKSA-N 1 1 535.641 3.451 40 0 biogenic,in-vitro KGABMO COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2[C@H]1c1ccc(O)c(OC)c1 ZINC000248127179 560036432 /nfs/dbraw/zinc/03/64/32/560036432.db2.gz GTSHSTJFTSYFBU-HHMXAWFKSA-N 1 1 535.641 3.451 40 0 biogenic,in-vitro KGABMO COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@H+]1CC[C@]2(O)CCCC[C@H]2[C@H]1c1ccc(O)c(OC)c1 ZINC000248127186 560036441 /nfs/dbraw/zinc/03/64/41/560036441.db2.gz GTSHSTJFTSYFBU-XQBMNTQMSA-N 1 1 535.641 3.451 40 0 biogenic,in-vitro KGABMO COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@H]2[C@H]1c1ccc(O)c(OC)c1 ZINC000248127186 560036440 /nfs/dbraw/zinc/03/64/40/560036440.db2.gz GTSHSTJFTSYFBU-XQBMNTQMSA-N 1 1 535.641 3.451 40 0 biogenic,in-vitro KGABMO O=C1NC[C@H]2O[C@@H](CC[C@@H]2O)CCOc2cc(-c3ccccc3)ccc2C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000253395742 572283897 /nfs/dbraw/zinc/28/38/97/572283897.db2.gz CJYWBZJLOHITNV-YQOCYVMFSA-N 1 1 555.675 3.487 40 0 KGABMO O=C1NC[C@H]2O[C@@H](CC[C@@H]2O)CCOc2cc(-c3ccccc3)ccc2C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000253395742 572283896 /nfs/dbraw/zinc/28/38/96/572283896.db2.gz CJYWBZJLOHITNV-YQOCYVMFSA-N 1 1 555.675 3.487 40 0 KGABMO O=C(C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1CN(C1CCCC1)CC2=O)NCC[NH+]1CCCC1 ZINC000253395848 572283860 /nfs/dbraw/zinc/28/38/60/572283860.db2.gz CPQBKVSNOGRMEJ-DBFYEMIUSA-N 1 1 508.707 3.447 40 0 KGABMO O=S1(=O)NC[C@H](O)C[N@@H+](Cc2cccs2)C[C@]2(C[C@@H](O)[C@@H](O)C2)COc2cc(-c3cccc(C(F)(F)F)c3)ccc21 ZINC000253396906 1060006110 /nfs/dbraw/zinc/00/61/10/1060006110.db2.gz FEYXVSMWGUXLBQ-NEGYVOTHSA-N 1 1 612.692 3.470 40 0 KGABMO O=S1(=O)NC[C@H](O)C[N@H+](Cc2cccs2)C[C@]2(C[C@@H](O)[C@@H](O)C2)COc2cc(-c3cccc(C(F)(F)F)c3)ccc21 ZINC000253396906 1060006087 /nfs/dbraw/zinc/00/60/87/1060006087.db2.gz FEYXVSMWGUXLBQ-NEGYVOTHSA-N 1 1 612.692 3.470 40 0 KGABMO O=S1(=O)NC[C@H](O)C[N@@H+](CCC(F)(F)F)C[C@]2(C[C@@H](O)[C@@H](O)C2)COc2cc(-c3cccc(C(F)(F)F)c3)ccc21 ZINC000253398778 572284457 /nfs/dbraw/zinc/28/44/57/572284457.db2.gz HMEFZAGTJCYFRT-JCUDRXCFSA-N 1 1 612.589 3.160 40 0 KGABMO O=S1(=O)NC[C@H](O)C[N@H+](CCC(F)(F)F)C[C@]2(C[C@@H](O)[C@@H](O)C2)COc2cc(-c3cccc(C(F)(F)F)c3)ccc21 ZINC000253398778 572284456 /nfs/dbraw/zinc/28/44/56/572284456.db2.gz HMEFZAGTJCYFRT-JCUDRXCFSA-N 1 1 612.589 3.160 40 0 KGABMO O=S1(=O)NC[C@H](O)C[N@@H+](CCc2ccccc2)C[C@]2(C[C@@H](O)[C@@H](O)C2)COc2cc(-c3cccc(C(F)(F)F)c3)ccc21 ZINC000253400633 572285036 /nfs/dbraw/zinc/28/50/36/572285036.db2.gz LMGNBLYAGGNPHW-MHTMXISKSA-N 1 1 620.690 3.451 40 0 KGABMO CC(C)(C)CC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CC[N@H+](C4CCCC4)C[C@H]3C(=O)NC[C@H]1O2 ZINC000253400742 572285207 /nfs/dbraw/zinc/28/52/07/572285207.db2.gz LQRDEWYZIYYEHW-CFJXPYFLSA-N 1 1 554.732 3.123 40 0 KGABMO Cc1ccccc1C[N@H+]1Cc2ccccc2OC/C=C\[C@H]2CN(CC[C@H]2CC(=O)N2CC[C@@H](O)C2)C(=O)C1 ZINC000253400863 572285173 /nfs/dbraw/zinc/28/51/73/572285173.db2.gz MBRNKJCVGIEWSF-FLEFNWSQSA-N 1 1 517.670 3.394 40 0 KGABMO Cc1ccccc1C[N@@H+]1Cc2ccccc2OC/C=C\[C@H]2CN(CC[C@H]2CC(=O)N2CC[C@@H](O)C2)C(=O)C1 ZINC000253400863 572285172 /nfs/dbraw/zinc/28/51/72/572285172.db2.gz MBRNKJCVGIEWSF-FLEFNWSQSA-N 1 1 517.670 3.394 40 0 KGABMO O=S1(=O)NC[C@H](O)C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@]2(C[C@@H](O)[C@@H](O)C2)COc2cc(-c3cccc(C(F)(F)F)c3)ccc21 ZINC000253401032 572285137 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ZRUGSOSOQUPFRR-AREMUKBSSA-N 1 1 502.059 3.087 40 0 KGABMO Cc1ccnn1CCC(=O)N1CCC[C@](COc2cccc(Cl)c2)(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257343175 572320116 /nfs/dbraw/zinc/32/01/16/572320116.db2.gz ZRUGSOSOQUPFRR-SANMLTNESA-N 1 1 502.059 3.087 40 0 KGABMO COc1cc(OC)c(S(=O)(=O)N2CCC(COc3ccccc3)(CC(=O)N3CC[NH+](C)CC3)CC2)cc1Cl ZINC000257344463 572320229 /nfs/dbraw/zinc/32/02/29/572320229.db2.gz ZXHZGCMMNVTQJN-UHFFFAOYSA-N 1 1 566.120 3.371 40 0 KGABMO C[NH+]1CCN(C(=O)C[C@]2(COc3ccccc3)CCCN(S(=O)(=O)c3cc4c(cc3Cl)OCCO4)C2)CC1 ZINC000257344957 572320321 /nfs/dbraw/zinc/32/03/21/572320321.db2.gz ZZJFNWNUMGEGSC-HHHXNRCGSA-N 1 1 564.104 3.125 40 0 KGABMO C[NH+]1CCN(C(=O)C[C@@]2(COc3ccccc3)CCCN(S(=O)(=O)c3cc4c(cc3Cl)OCCO4)C2)CC1 ZINC000257344958 572320297 /nfs/dbraw/zinc/32/02/97/572320297.db2.gz ZZJFNWNUMGEGSC-MHZLTWQESA-N 1 1 564.104 3.125 40 0 KGABMO COC(=O)C1=C2Nc3ccccc3[C@]23CC[NH+]2[C@H]3[C@@]3(CCO[C@H]3[C@@]3(C[C@@H]4C[C@]56CCO[C@@H]5CC[N@H+]5CC[C@]7(c8cccc(OC)c8N(C3)[C@]47O)[C@H]56)[C@H]2O)C1 ZINC000257439709 572322473 /nfs/dbraw/zinc/32/24/73/572322473.db2.gz HUWNUSVUJDHPHX-KGGSUNSYSA-N 1 1 734.894 3.481 40 0 KGABMO COC(=O)C1=C2Nc3ccccc3[C@]23CC[NH+]2[C@H]3[C@@]3(CCO[C@H]3[C@@]3(C[C@@H]4C[C@]56CCO[C@@H]5CC[N@@H+]5CC[C@]7(c8cccc(OC)c8N(C3)[C@]47O)[C@H]56)[C@H]2O)C1 ZINC000257439709 572322472 /nfs/dbraw/zinc/32/24/72/572322472.db2.gz HUWNUSVUJDHPHX-KGGSUNSYSA-N 1 1 734.894 3.481 40 0 KGABMO COC(=O)C1=C2Nc3ccccc3[C@]23CC[NH+]2[C@@H]3[C@@]3(CCO[C@H]3[C@@]3(C[C@@H]4C[C@]56CCO[C@@H]5CC[N@H+]5CC[C@]7(c8cccc(OC)c8N(C3)[C@]47O)[C@H]56)[C@H]2O)C1 ZINC000257439710 572322443 /nfs/dbraw/zinc/32/24/43/572322443.db2.gz HUWNUSVUJDHPHX-MEEXXBSSSA-N 1 1 734.894 3.481 40 0 KGABMO COC(=O)C1=C2Nc3ccccc3[C@]23CC[NH+]2[C@@H]3[C@@]3(CCO[C@H]3[C@@]3(C[C@@H]4C[C@]56CCO[C@@H]5CC[N@@H+]5CC[C@]7(c8cccc(OC)c8N(C3)[C@]47O)[C@H]56)[C@H]2O)C1 ZINC000257439710 572322442 /nfs/dbraw/zinc/32/24/42/572322442.db2.gz HUWNUSVUJDHPHX-MEEXXBSSSA-N 1 1 734.894 3.481 40 0 KGABMO COC(=O)C1=C2Nc3ccccc3[C@]23CC[NH+]2[C@H]3[C@]3(CCO[C@H]3[C@@]3(C[C@@H]4C[C@]56CCO[C@@H]5CC[N@H+]5CC[C@]7(c8cccc(OC)c8N(C3)[C@]47O)[C@H]56)[C@H]2O)C1 ZINC000257439711 572322454 /nfs/dbraw/zinc/32/24/54/572322454.db2.gz HUWNUSVUJDHPHX-OIXOIYOKSA-N 1 1 734.894 3.481 40 0 KGABMO COC(=O)C1=C2Nc3ccccc3[C@]23CC[NH+]2[C@H]3[C@]3(CCO[C@H]3[C@@]3(C[C@@H]4C[C@]56CCO[C@@H]5CC[N@@H+]5CC[C@]7(c8cccc(OC)c8N(C3)[C@]47O)[C@H]56)[C@H]2O)C1 ZINC000257439711 572322453 /nfs/dbraw/zinc/32/24/53/572322453.db2.gz HUWNUSVUJDHPHX-OIXOIYOKSA-N 1 1 734.894 3.481 40 0 KGABMO COC(=O)C1=C2Nc3ccccc3[C@]23CC[NH+]2[C@@H]3[C@]3(CCO[C@H]3[C@@]3(C[C@@H]4C[C@]56CCO[C@@H]5CC[N@H+]5CC[C@]7(c8cccc(OC)c8N(C3)[C@]47O)[C@H]56)[C@H]2O)C1 ZINC000257439712 572322467 /nfs/dbraw/zinc/32/24/67/572322467.db2.gz HUWNUSVUJDHPHX-XCRNXLACSA-N 1 1 734.894 3.481 40 0 KGABMO COC(=O)C1=C2Nc3ccccc3[C@]23CC[NH+]2[C@@H]3[C@]3(CCO[C@H]3[C@@]3(C[C@@H]4C[C@]56CCO[C@@H]5CC[N@@H+]5CC[C@]7(c8cccc(OC)c8N(C3)[C@]47O)[C@H]56)[C@H]2O)C1 ZINC000257439712 572322466 /nfs/dbraw/zinc/32/24/66/572322466.db2.gz HUWNUSVUJDHPHX-XCRNXLACSA-N 1 1 734.894 3.481 40 0 KGABMO COc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCc3ccc(C[NH+]4CCOCC4)cc3)Oc3ccc(Cl)cc32)cc1 ZINC000260885975 571797178 /nfs/dbraw/zinc/79/71/78/571797178.db2.gz BTOCXURSQLNMBM-HHHXNRCGSA-N 1 1 572.083 3.454 40 0 KGABMO Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCc3ccc(C[NH+]4CCOCC4)cc3)Oc3ccccc32)cc1 ZINC000260886070 571797253 /nfs/dbraw/zinc/79/72/53/571797253.db2.gz DDCIOKVWGKTPHD-HHHXNRCGSA-N 1 1 521.639 3.100 40 0 KGABMO Cc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)C[C@H](C(=O)NCc1ccc(C[NH+]3CCOCC3)cc1)O2 ZINC000260886073 571797232 /nfs/dbraw/zinc/79/72/32/571797232.db2.gz DDHWUQYFDHKJQS-HHHXNRCGSA-N 1 1 521.639 3.100 40 0 KGABMO COc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCc3ccc(C[NH+]4CCOCC4)cc3)Oc3ccc(C)cc32)cc1 ZINC000260886176 571797574 /nfs/dbraw/zinc/79/75/74/571797574.db2.gz GGBNKWNKQNZVNU-MUUNZHRXSA-N 1 1 551.665 3.109 40 0 KGABMO Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCc3ccc(C[NH+]4CCOCC4)cc3)Oc3cc(C)ccc32)cc1 ZINC000260892335 571808035 /nfs/dbraw/zinc/80/80/35/571808035.db2.gz YEWLPGNNWZPQNM-MUUNZHRXSA-N 1 1 535.666 3.408 40 0 KGABMO Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCc3ccc(C[NH+]4CCOCC4)cc3)Oc3ccc(C)cc32)cc1 ZINC000260892531 571808653 /nfs/dbraw/zinc/80/86/53/571808653.db2.gz ZOZXARCDXFRWSV-MUUNZHRXSA-N 1 1 535.666 3.408 40 0 KGABMO COc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCc3ccc(C[NH+]4CCOCC4)cc3)Oc3cc(C)ccc32)cc1 ZINC000260892574 571808733 /nfs/dbraw/zinc/80/87/33/571808733.db2.gz ZWICDLXSKMNPBW-MUUNZHRXSA-N 1 1 551.665 3.109 40 0 KGABMO COc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCc3cccc(C[NH+]4CCOCC4)c3)Oc3ccc(Cl)cc32)cc1 ZINC000260892618 571808763 /nfs/dbraw/zinc/80/87/63/571808763.db2.gz ANZYUZHGLBIOET-HHHXNRCGSA-N 1 1 572.083 3.454 40 0 KGABMO Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCc3cccc(C[NH+]4CCOCC4)c3)Oc3cc(C)ccc32)cc1 ZINC000260892709 571809280 /nfs/dbraw/zinc/80/92/80/571809280.db2.gz DTOKELDQRBSZSG-MUUNZHRXSA-N 1 1 535.666 3.408 40 0 KGABMO Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCc3cccc(C[NH+]4CCOCC4)c3)Oc3ccccc32)cc1 ZINC000260894991 571812934 /nfs/dbraw/zinc/81/29/34/571812934.db2.gz HEVXQFRUVZBPRU-HHHXNRCGSA-N 1 1 521.639 3.100 40 0 KGABMO Cc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)C[C@H](C(=O)NCc1cccc(C[NH+]3CCOCC3)c1)O2 ZINC000260895083 571812832 /nfs/dbraw/zinc/81/28/32/571812832.db2.gz IDXCRXIOFZLQKN-HHHXNRCGSA-N 1 1 521.639 3.100 40 0 KGABMO COc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCc3cccc(C[NH+]4CCOCC4)c3)Oc3cc(C)ccc32)cc1 ZINC000260897483 571816602 /nfs/dbraw/zinc/81/66/02/571816602.db2.gz MHJLZXAQGYZACH-MUUNZHRXSA-N 1 1 551.665 3.109 40 0 KGABMO Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCc3cccc(C[NH+]4CCOCC4)c3)Oc3ccc(C)cc32)cc1 ZINC000260899623 571819385 /nfs/dbraw/zinc/81/93/85/571819385.db2.gz OYSMOTXLBRCHMA-MUUNZHRXSA-N 1 1 535.666 3.408 40 0 KGABMO COc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCc3cccc(C[NH+]4CCOCC4)c3)Oc3ccc(C)cc32)cc1 ZINC000260899735 571820034 /nfs/dbraw/zinc/82/00/34/571820034.db2.gz PUESCRFSVLZBMX-MUUNZHRXSA-N 1 1 551.665 3.109 40 0 KGABMO Cn1cc(NC(=O)c2cc(NC(=O)OC(C)(C)C)cn2C)cc1C(=O)NCC[NH+]1CCC(F)(F)CC1 ZINC000263615084 572130878 /nfs/dbraw/zinc/13/08/78/572130878.db2.gz AMDLOEUPJKAWJX-UHFFFAOYSA-N 1 1 508.570 3.424 40 0 KGABMO CC(C)[N@@H+](C[C@@H]1O[C@H](n2cnc3c2ncnc3N)[C@@H](O)[C@@H]1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1 ZINC000328577251 572145661 /nfs/dbraw/zinc/14/56/61/572145661.db2.gz LXFOLMYKSYSZQS-CWRKIPGUSA-N 1 1 562.719 3.323 40 0 in-vitro KGABMO CC(C)[N@H+](C[C@@H]1O[C@H](n2cnc3c2ncnc3N)[C@@H](O)[C@@H]1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1 ZINC000328577251 572145660 /nfs/dbraw/zinc/14/56/60/572145660.db2.gz LXFOLMYKSYSZQS-CWRKIPGUSA-N 1 1 562.719 3.323 40 0 in-vitro KGABMO CC(C)[N@@H+](C[C@@H]1O[C@H](n2cnc3c2ncnc3N)[C@@H](O)[C@@H]1O)C1CC(CCc2nc3cc(C(C)(C)C)ccc3[nH]2)C1 ZINC000328577251 572145659 /nfs/dbraw/zinc/14/56/59/572145659.db2.gz LXFOLMYKSYSZQS-CWRKIPGUSA-N 1 1 562.719 3.323 40 0 in-vitro KGABMO CC(C)[N@@H+](C[C@@H]1O[C@H](n2cnc3c2ncnc3N)[C@H](O)[C@H]1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1 ZINC000328577252 572145654 /nfs/dbraw/zinc/14/56/54/572145654.db2.gz LXFOLMYKSYSZQS-JBXGPMDDSA-N 1 1 562.719 3.323 40 0 in-vitro KGABMO CC(C)[N@H+](C[C@@H]1O[C@H](n2cnc3c2ncnc3N)[C@H](O)[C@H]1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1 ZINC000328577252 572145652 /nfs/dbraw/zinc/14/56/52/572145652.db2.gz LXFOLMYKSYSZQS-JBXGPMDDSA-N 1 1 562.719 3.323 40 0 in-vitro KGABMO CC(C)[N@@H+](C[C@@H]1O[C@H](n2cnc3c2ncnc3N)[C@H](O)[C@H]1O)C1CC(CCc2nc3cc(C(C)(C)C)ccc3[nH]2)C1 ZINC000328577252 572145650 /nfs/dbraw/zinc/14/56/50/572145650.db2.gz LXFOLMYKSYSZQS-JBXGPMDDSA-N 1 1 562.719 3.323 40 0 in-vitro KGABMO CC(C)[N@@H+](C[C@@H]1O[C@H](n2cnc3c2ncnc3N)[C@H](O)[C@@H]1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1 ZINC000328577253 572145455 /nfs/dbraw/zinc/14/54/55/572145455.db2.gz LXFOLMYKSYSZQS-QEGQWTMTSA-N 1 1 562.719 3.323 40 0 in-vitro KGABMO CC(C)[N@H+](C[C@@H]1O[C@H](n2cnc3c2ncnc3N)[C@H](O)[C@@H]1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1 ZINC000328577253 572145451 /nfs/dbraw/zinc/14/54/51/572145451.db2.gz LXFOLMYKSYSZQS-QEGQWTMTSA-N 1 1 562.719 3.323 40 0 in-vitro KGABMO CC(C)[N@@H+](C[C@@H]1O[C@H](n2cnc3c2ncnc3N)[C@H](O)[C@@H]1O)C1CC(CCc2nc3cc(C(C)(C)C)ccc3[nH]2)C1 ZINC000328577253 572145447 /nfs/dbraw/zinc/14/54/47/572145447.db2.gz LXFOLMYKSYSZQS-QEGQWTMTSA-N 1 1 562.719 3.323 40 0 in-vitro KGABMO CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000408561999 572248475 /nfs/dbraw/zinc/24/84/75/572248475.db2.gz WRPNWUAFWINJTL-UHFFFAOYSA-N 1 1 506.068 3.484 40 0 KGABMO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCOCC2)c2cccc(Cl)c2Cl)cc1 ZINC000408564639 572250605 /nfs/dbraw/zinc/25/06/05/572250605.db2.gz ZEEZTPUSKOPFEM-UHFFFAOYSA-N 1 1 500.448 3.336 40 0 KGABMO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCOCC2)c2ccc(Cl)c(Cl)c2)cc1 ZINC000408568406 572255085 /nfs/dbraw/zinc/25/50/85/572255085.db2.gz UHMDRKNGAIZEJN-UHFFFAOYSA-N 1 1 500.448 3.336 40 0 KGABMO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCOCC2)c2cc(Cl)ccc2Cl)cc1 ZINC000408573922 572259202 /nfs/dbraw/zinc/25/92/02/572259202.db2.gz FNFBXPAMTJBYAY-UHFFFAOYSA-N 1 1 500.448 3.336 40 0 KGABMO O=C(COc1ccc(N2C[C@H](C(=O)NCCC[NH+]3CCOCC3)CC2=O)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000408576237 572261181 /nfs/dbraw/zinc/26/11/81/572261181.db2.gz FZAMUZFBFNBATC-GOSISDBHSA-N 1 1 549.455 3.202 40 0 KGABMO O=C(COc1ccc(N2C[C@@H](C(=O)NCCC[NH+]3CCOCC3)CC2=O)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000408576241 572261171 /nfs/dbraw/zinc/26/11/71/572261171.db2.gz FZAMUZFBFNBATC-SFHVURJKSA-N 1 1 549.455 3.202 40 0 KGABMO O=C(COc1ccc(N2C[C@H](C(=O)NCCC[NH+]3CCOCC3)CC2=O)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000408577963 572262556 /nfs/dbraw/zinc/26/25/56/572262556.db2.gz JQJOXWLKIOKDGR-GOSISDBHSA-N 1 1 549.455 3.202 40 0 KGABMO O=C(COc1ccc(N2C[C@@H](C(=O)NCCC[NH+]3CCOCC3)CC2=O)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000408577965 572262523 /nfs/dbraw/zinc/26/25/23/572262523.db2.gz JQJOXWLKIOKDGR-SFHVURJKSA-N 1 1 549.455 3.202 40 0 KGABMO O=C(NCCC[NH+]1CCOCC1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000408578333 572262947 /nfs/dbraw/zinc/26/29/47/572262947.db2.gz KUPYOHWJZGVBGL-GOSISDBHSA-N 1 1 518.536 3.149 40 0 KGABMO O=C(NCCC[NH+]1CCOCC1)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000408578339 572262939 /nfs/dbraw/zinc/26/29/39/572262939.db2.gz KUPYOHWJZGVBGL-SFHVURJKSA-N 1 1 518.536 3.149 40 0 KGABMO Cc1cc(Br)cc(C)c1NC(=O)COc1ccc(N2C[C@@H](C(=O)NCCC[NH+]3CCOCC3)CC2=O)cc1 ZINC000408579778 572263928 /nfs/dbraw/zinc/26/39/28/572263928.db2.gz OWYMBXLVHKQWDK-NRFANRHFSA-N 1 1 587.515 3.275 40 0 KGABMO Cc1cc(Br)cc(C)c1NC(=O)COc1ccc(N2C[C@H](C(=O)NCCC[NH+]3CCOCC3)CC2=O)cc1 ZINC000408579779 572263901 /nfs/dbraw/zinc/26/39/01/572263901.db2.gz OWYMBXLVHKQWDK-OAQYLSRUSA-N 1 1 587.515 3.275 40 0 KGABMO O=C(NCCC[NH+]1CCOCC1)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 ZINC000408582792 572265037 /nfs/dbraw/zinc/26/50/37/572265037.db2.gz XTXIYCZPZHXVIF-KRWDZBQOSA-N 1 1 519.429 3.437 40 0 KGABMO 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ZINC000575426365 1059538565 /nfs/dbraw/zinc/53/85/65/1059538565.db2.gz RWXMECAVZRLJDY-RPBOFIJWSA-N 1 1 521.664 3.381 40 0 KGABMO O=C(CN1CC[NH+](CCO)CC1)N1CCC(c2cccc(Nc3ncc(-c4ccccc4)s3)n2)CC1 ZINC000585263358 1059086449 /nfs/dbraw/zinc/08/64/49/1059086449.db2.gz WTBCIPNSHSOJSZ-UHFFFAOYSA-N 1 1 506.676 3.265 40 0 KGABMO C[NH+]1CCN(C(=O)C[C@]2(COc3cccc(Cl)c3)CN(C(=O)c3c(F)cccc3F)CCO2)CC1 ZINC000585268765 1059086565 /nfs/dbraw/zinc/08/65/65/1059086565.db2.gz FZWBEISRFOZYJR-RUZDIDTESA-N 1 1 507.965 3.073 40 0 KGABMO C[NH+]1CCN(C(=O)C[C@@]2(COc3cccc(Cl)c3)CN(C(=O)c3c(F)cccc3F)CCO2)CC1 ZINC000585268766 1059087268 /nfs/dbraw/zinc/08/72/68/1059087268.db2.gz FZWBEISRFOZYJR-VWLOTQADSA-N 1 1 507.965 3.073 40 0 KGABMO O=C(COc1ccc(C[N@@H+](CCCO)C[C@@H](O)Cn2c3ccccc3c3ccccc32)cc1)N1CCOCC1 ZINC000585269613 1059087004 /nfs/dbraw/zinc/08/70/04/1059087004.db2.gz BXUHHNUVHONHIS-RUZDIDTESA-N 1 1 531.653 3.278 40 0 KGABMO O=C(COc1ccc(C[N@@H+](CCCO)C[C@H](O)Cn2c3ccccc3c3ccccc32)cc1)N1CCOCC1 ZINC000585269614 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1059089514 /nfs/dbraw/zinc/08/95/14/1059089514.db2.gz FSYFZXNSCQWGHI-SSEXGKCCSA-N 1 1 523.674 3.332 40 0 KGABMO CC(=O)N1CC[N@H+](Cc2cccc(OCCCN3CCCCCC3=O)c2)C[C@](O)(COc2ccccc2)C1 ZINC000585271039 1059089493 /nfs/dbraw/zinc/08/94/93/1059089493.db2.gz FSYFZXNSCQWGHI-SSEXGKCCSA-N 1 1 523.674 3.332 40 0 KGABMO COc1ccc(CN2CCN(C(C)=O)C[C@@](O)(COc3ccc(C)cc3)C2)cc1OCCn1cc[nH+]c1C ZINC000585271060 1059089278 /nfs/dbraw/zinc/08/92/78/1059089278.db2.gz GHDVASKGPDPNSE-GDLZYMKVSA-N 1 1 522.646 3.062 40 0 KGABMO COc1ccc(CN2CCN(C(C)=O)C[C@](O)(COc3ccc(C)cc3)C2)cc1OCCn1cc[nH+]c1C ZINC000585271061 1059089661 /nfs/dbraw/zinc/08/96/61/1059089661.db2.gz GHDVASKGPDPNSE-LJAQVGFWSA-N 1 1 522.646 3.062 40 0 KGABMO COCC(=O)N1CCN(Cc2ccc(OCCCn3cc[nH+]c3C)cc2)C[C@@](O)(COc2ccc(C)cc2)C1 ZINC000585271457 1059088532 /nfs/dbraw/zinc/08/85/32/1059088532.db2.gz AANFRGFPOGUJKH-PMERELPUSA-N 1 1 536.673 3.070 40 0 KGABMO COCC(=O)N1CCN(Cc2ccc(OCCCn3cc[nH+]c3C)cc2)C[C@](O)(COc2ccc(C)cc2)C1 ZINC000585271469 1059088378 /nfs/dbraw/zinc/08/83/78/1059088378.db2.gz AANFRGFPOGUJKH-SSEXGKCCSA-N 1 1 536.673 3.070 40 0 KGABMO CCc1[nH+]ccn1CCOc1cc(CN2CCN(C(C)=O)C[C@@](O)(COc3ccccc3)C2)ccc1OC ZINC000585271852 1059089375 /nfs/dbraw/zinc/08/93/75/1059089375.db2.gz KTZMSOMRSKKATR-GDLZYMKVSA-N 1 1 522.646 3.007 40 0 KGABMO CCc1[nH+]ccn1CCOc1cc(CN2CCN(C(C)=O)C[C@](O)(COc3ccccc3)C2)ccc1OC ZINC000585271860 1059089740 /nfs/dbraw/zinc/08/97/40/1059089740.db2.gz KTZMSOMRSKKATR-LJAQVGFWSA-N 1 1 522.646 3.007 40 0 KGABMO COc1cc(C[N@@H+](C)C[C@H](O)Cn2c3ccccc3nc2C(F)(F)F)ccc1OCCN1CCOCC1 ZINC000585272028 1059093217 /nfs/dbraw/zinc/09/32/17/1059093217.db2.gz IOXXXNWUWIQAFX-FQEVSTJZSA-N 1 1 522.568 3.268 40 0 KGABMO COc1cc(C[N@@H+](C)C[C@@H](O)Cn2c3ccccc3nc2C(F)(F)F)ccc1OCCN1CCOCC1 ZINC000585272033 1059093364 /nfs/dbraw/zinc/09/33/64/1059093364.db2.gz IOXXXNWUWIQAFX-HXUWFJFHSA-N 1 1 522.568 3.268 40 0 KGABMO CCCCn1cc(CN2CCO[C@](COc3ccc(Cl)cc3)(CC(=O)N3CC[NH+](C)CC3)C2)c(C)n1 ZINC000585272160 1059087090 /nfs/dbraw/zinc/08/70/90/1059087090.db2.gz LQGNHSSMZDUSSY-HHHXNRCGSA-N 1 1 518.102 3.459 40 0 KGABMO CCc1[nH+]ccn1CCOc1ccc(CN2CCN(C(C)=O)C[C@](O)(COc3ccc(C)cc3)C2)cc1OC ZINC000585272162 1059087180 /nfs/dbraw/zinc/08/71/80/1059087180.db2.gz LPGWCQJFAZWMCJ-PMERELPUSA-N 1 1 536.673 3.316 40 0 KGABMO CCCCn1cc(CN2CCO[C@@](COc3ccc(Cl)cc3)(CC(=O)N3CC[NH+](C)CC3)C2)c(C)n1 ZINC000585272165 1059086884 /nfs/dbraw/zinc/08/68/84/1059086884.db2.gz LQGNHSSMZDUSSY-MHZLTWQESA-N 1 1 518.102 3.459 40 0 KGABMO CCc1[nH+]ccn1CCOc1ccc(CN2CCN(C(C)=O)C[C@@](O)(COc3ccc(C)cc3)C2)cc1OC ZINC000585272171 1059086917 /nfs/dbraw/zinc/08/69/17/1059086917.db2.gz LPGWCQJFAZWMCJ-SSEXGKCCSA-N 1 1 536.673 3.316 40 0 KGABMO COc1ccc(CN2CCN(C(C)=O)C[C@@](O)(COc3ccc(F)cc3)C2)cc1OCCCn1cc[nH+]c1C ZINC000585273041 1059090776 /nfs/dbraw/zinc/09/07/76/1059090776.db2.gz QKPPIUNAGLFUKT-GDLZYMKVSA-N 1 1 540.636 3.283 40 0 KGABMO COc1ccc(CN2CCN(C(C)=O)C[C@](O)(COc3ccc(F)cc3)C2)cc1OCCCn1cc[nH+]c1C ZINC000585273050 1059090598 /nfs/dbraw/zinc/09/05/98/1059090598.db2.gz QKPPIUNAGLFUKT-LJAQVGFWSA-N 1 1 540.636 3.283 40 0 KGABMO COc1cc(C[N@H+]2CCN(C(C)=O)C[C@@](O)(COc3ccc(C)cc3)C2)ccc1OCCCn1ccnc1 ZINC000585273066 1059090408 /nfs/dbraw/zinc/09/04/08/1059090408.db2.gz QOJREPQFSOUREB-GDLZYMKVSA-N 1 1 522.646 3.143 40 0 KGABMO COc1cc(C[N@@H+]2CCN(C(C)=O)C[C@@](O)(COc3ccc(C)cc3)C2)ccc1OCCCn1ccnc1 ZINC000585273066 1059090389 /nfs/dbraw/zinc/09/03/89/1059090389.db2.gz QOJREPQFSOUREB-GDLZYMKVSA-N 1 1 522.646 3.143 40 0 KGABMO COc1cc(C[N@H+]2CCN(C(C)=O)C[C@](O)(COc3ccc(C)cc3)C2)ccc1OCCCn1ccnc1 ZINC000585273067 1059090346 /nfs/dbraw/zinc/09/03/46/1059090346.db2.gz QOJREPQFSOUREB-LJAQVGFWSA-N 1 1 522.646 3.143 40 0 KGABMO COc1cc(C[N@@H+]2CCN(C(C)=O)C[C@](O)(COc3ccc(C)cc3)C2)ccc1OCCCn1ccnc1 ZINC000585273067 1059090322 /nfs/dbraw/zinc/09/03/22/1059090322.db2.gz QOJREPQFSOUREB-LJAQVGFWSA-N 1 1 522.646 3.143 40 0 KGABMO CCc1[nH+]ccn1CCCOc1cc(CN2CCN(C(=O)COC)C[C@](O)(COc3ccc(F)c(F)c3)C2)ccc1OC ZINC000585273192 1059089202 /nfs/dbraw/zinc/08/92/02/1059089202.db2.gz BADZENNNKUIVAQ-HKBQPEDESA-N 1 1 602.679 3.302 40 0 KGABMO CCc1[nH+]ccn1CCCOc1cc(CN2CCN(C(=O)COC)C[C@@](O)(COc3ccc(F)c(F)c3)C2)ccc1OC ZINC000585273194 1059089596 /nfs/dbraw/zinc/08/95/96/1059089596.db2.gz BADZENNNKUIVAQ-WJOKGBTCSA-N 1 1 602.679 3.302 40 0 KGABMO COCC(=O)N1CC[N@@H+](Cc2cccc(OCCCN3CCCCCC3=O)c2)C[C@](O)(COc2ccc(C)cc2)C1 ZINC000585273238 1059089841 /nfs/dbraw/zinc/08/98/41/1059089841.db2.gz BKVASPVLQKBEQZ-JGCGQSQUSA-N 1 1 567.727 3.267 40 0 KGABMO COCC(=O)N1CC[N@H+](Cc2cccc(OCCCN3CCCCCC3=O)c2)C[C@](O)(COc2ccc(C)cc2)C1 ZINC000585273238 1059089823 /nfs/dbraw/zinc/08/98/23/1059089823.db2.gz BKVASPVLQKBEQZ-JGCGQSQUSA-N 1 1 567.727 3.267 40 0 KGABMO COCC(=O)N1CC[N@@H+](Cc2cccc(OCCCN3CCCCCC3=O)c2)C[C@@](O)(COc2ccc(C)cc2)C1 ZINC000585273249 1059090553 /nfs/dbraw/zinc/09/05/53/1059090553.db2.gz BKVASPVLQKBEQZ-YTTGMZPUSA-N 1 1 567.727 3.267 40 0 KGABMO COCC(=O)N1CC[N@H+](Cc2cccc(OCCCN3CCCCCC3=O)c2)C[C@@](O)(COc2ccc(C)cc2)C1 ZINC000585273249 1059090530 /nfs/dbraw/zinc/09/05/30/1059090530.db2.gz BKVASPVLQKBEQZ-YTTGMZPUSA-N 1 1 567.727 3.267 40 0 KGABMO COCC(=O)N1CCN(Cc2ccc(OC)c(OCCCn3cc[nH+]c3C)c2)C[C@@](O)(COc2cc(F)cc(F)c2)C1 ZINC000585273252 1059090063 /nfs/dbraw/zinc/09/00/63/1059090063.db2.gz BLJQJQAXAMVGCN-PMERELPUSA-N 1 1 588.652 3.048 40 0 KGABMO COCC(=O)N1CCN(Cc2ccc(OC)c(OCCCn3cc[nH+]c3C)c2)C[C@](O)(COc2cc(F)cc(F)c2)C1 ZINC000585273259 1059090687 /nfs/dbraw/zinc/09/06/87/1059090687.db2.gz BLJQJQAXAMVGCN-SSEXGKCCSA-N 1 1 588.652 3.048 40 0 KGABMO CCc1[nH+]ccn1CCCOc1ccc(CN2CCN(C(=O)COC)C[C@](O)(COc3ccc(F)cc3)C2)cc1OC ZINC000585273473 1059094377 /nfs/dbraw/zinc/09/43/77/1059094377.db2.gz RSVQOZUTJIRPOM-HKBQPEDESA-N 1 1 584.689 3.163 40 0 KGABMO CCc1[nH+]ccn1CCCOc1ccc(CN2CCN(C(=O)COC)C[C@@](O)(COc3ccc(F)cc3)C2)cc1OC ZINC000585273478 1059093902 /nfs/dbraw/zinc/09/39/02/1059093902.db2.gz RSVQOZUTJIRPOM-WJOKGBTCSA-N 1 1 584.689 3.163 40 0 KGABMO CCc1[nH+]ccn1CCCOc1cc(CN2CCN(C(=O)COC)C[C@@](O)(COc3ccc(C)cc3)C2)ccc1OC ZINC000585273493 1059094224 /nfs/dbraw/zinc/09/42/24/1059094224.db2.gz RWMMGMRYSOIIGV-JGCGQSQUSA-N 1 1 580.726 3.332 40 0 KGABMO CCc1[nH+]ccn1CCCOc1cc(CN2CCN(C(=O)COC)C[C@](O)(COc3ccc(C)cc3)C2)ccc1OC ZINC000585273496 1059094132 /nfs/dbraw/zinc/09/41/32/1059094132.db2.gz RWMMGMRYSOIIGV-YTTGMZPUSA-N 1 1 580.726 3.332 40 0 KGABMO COc1cc(C[N@@H+](CCCO)C[C@@H](O)Cn2c(C)c(C)c3ccccc32)ccc1OCCN1CCOCC1 ZINC000585273538 1059094068 /nfs/dbraw/zinc/09/40/68/1059094068.db2.gz QKPTWGDHEDOOSZ-AREMUKBSSA-N 1 1 525.690 3.223 40 0 KGABMO COc1cc(C[N@@H+](CCCO)C[C@H](O)Cn2c(C)c(C)c3ccccc32)ccc1OCCN1CCOCC1 ZINC000585273545 1059094307 /nfs/dbraw/zinc/09/43/07/1059094307.db2.gz QKPTWGDHEDOOSZ-SANMLTNESA-N 1 1 525.690 3.223 40 0 KGABMO CC(=O)N1CC[N@@H+](Cc2cccc(OCCn3nc(C)cc3C)c2)C[C@](O)(COc2ccc(C)cc2)C1 ZINC000585273581 1059095346 /nfs/dbraw/zinc/09/53/46/1059095346.db2.gz SMMCIIIHZLWXQJ-GDLZYMKVSA-N 1 1 506.647 3.362 40 0 KGABMO CC(=O)N1CC[N@H+](Cc2cccc(OCCn3nc(C)cc3C)c2)C[C@](O)(COc2ccc(C)cc2)C1 ZINC000585273581 1059095324 /nfs/dbraw/zinc/09/53/24/1059095324.db2.gz SMMCIIIHZLWXQJ-GDLZYMKVSA-N 1 1 506.647 3.362 40 0 KGABMO CC(=O)N1CC[N@@H+](Cc2cccc(OCCn3nc(C)cc3C)c2)C[C@@](O)(COc2ccc(C)cc2)C1 ZINC000585273596 1059095030 /nfs/dbraw/zinc/09/50/30/1059095030.db2.gz SMMCIIIHZLWXQJ-LJAQVGFWSA-N 1 1 506.647 3.362 40 0 KGABMO CC(=O)N1CC[N@H+](Cc2cccc(OCCn3nc(C)cc3C)c2)C[C@@](O)(COc2ccc(C)cc2)C1 ZINC000585273596 1059095008 /nfs/dbraw/zinc/09/50/08/1059095008.db2.gz SMMCIIIHZLWXQJ-LJAQVGFWSA-N 1 1 506.647 3.362 40 0 KGABMO CCc1[nH+]ccn1CCOc1cc(CN2CCN(C(C)=O)C[C@](O)(COc3ccc(C)cc3)C2)ccc1OC ZINC000585273682 1059094918 /nfs/dbraw/zinc/09/49/18/1059094918.db2.gz TVTODMASROSUIB-PMERELPUSA-N 1 1 536.673 3.316 40 0 KGABMO CCc1[nH+]ccn1CCOc1cc(CN2CCN(C(C)=O)C[C@@](O)(COc3ccc(C)cc3)C2)ccc1OC ZINC000585273684 1059094775 /nfs/dbraw/zinc/09/47/75/1059094775.db2.gz TVTODMASROSUIB-SSEXGKCCSA-N 1 1 536.673 3.316 40 0 KGABMO COc1ccc(CN2CCN(C(C)=O)C[C@](O)(COc3ccc(C)cc3)C2)cc1OCCCn1cc[nH+]c1C ZINC000585273731 1059095237 /nfs/dbraw/zinc/09/52/37/1059095237.db2.gz UDCAGKPLDKOIPE-PMERELPUSA-N 1 1 536.673 3.452 40 0 KGABMO COc1ccc(CN2CCN(C(C)=O)C[C@@](O)(COc3ccc(C)cc3)C2)cc1OCCCn1cc[nH+]c1C ZINC000585273734 1059095151 /nfs/dbraw/zinc/09/51/51/1059095151.db2.gz UDCAGKPLDKOIPE-SSEXGKCCSA-N 1 1 536.673 3.452 40 0 KGABMO COc1ccc(C[N@H+]2CCN(C(C)=O)C[C@@](O)(COc3ccc(C)cc3)C2)cc1OCCn1cc(C)cn1 ZINC000585273803 1059093858 /nfs/dbraw/zinc/09/38/58/1059093858.db2.gz URUVYKPKCAOSSW-GDLZYMKVSA-N 1 1 522.646 3.062 40 0 KGABMO COc1ccc(C[N@@H+]2CCN(C(C)=O)C[C@@](O)(COc3ccc(C)cc3)C2)cc1OCCn1cc(C)cn1 ZINC000585273803 1059093834 /nfs/dbraw/zinc/09/38/34/1059093834.db2.gz URUVYKPKCAOSSW-GDLZYMKVSA-N 1 1 522.646 3.062 40 0 KGABMO COc1ccc(C[N@H+]2CCN(C(C)=O)C[C@](O)(COc3ccc(C)cc3)C2)cc1OCCn1cc(C)cn1 ZINC000585273806 1059093794 /nfs/dbraw/zinc/09/37/94/1059093794.db2.gz URUVYKPKCAOSSW-LJAQVGFWSA-N 1 1 522.646 3.062 40 0 KGABMO COc1ccc(C[N@@H+]2CCN(C(C)=O)C[C@](O)(COc3ccc(C)cc3)C2)cc1OCCn1cc(C)cn1 ZINC000585273806 1059093773 /nfs/dbraw/zinc/09/37/73/1059093773.db2.gz URUVYKPKCAOSSW-LJAQVGFWSA-N 1 1 522.646 3.062 40 0 KGABMO COCC(=O)N1CCN(Cc2cccc(OCCCn3cc[nH+]c3C)c2)C[C@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585273910 1059094694 /nfs/dbraw/zinc/09/46/94/1059094694.db2.gz GHUQPCNLBORHEB-GDLZYMKVSA-N 1 1 558.626 3.040 40 0 KGABMO COCC(=O)N1CCN(Cc2cccc(OCCCn3cc[nH+]c3C)c2)C[C@@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585273911 1059094840 /nfs/dbraw/zinc/09/48/40/1059094840.db2.gz GHUQPCNLBORHEB-LJAQVGFWSA-N 1 1 558.626 3.040 40 0 KGABMO COCC(=O)N1CCN(Cc2ccc(OCCCn3cc[nH+]c3C)c(OC)c2)C[C@@](O)(COc2cc(F)cc(F)c2)C1 ZINC000585274349 1059091081 /nfs/dbraw/zinc/09/10/81/1059091081.db2.gz JICICXMAZLSXAA-PMERELPUSA-N 1 1 588.652 3.048 40 0 KGABMO COCC(=O)N1CCN(Cc2ccc(OCCCn3cc[nH+]c3C)c(OC)c2)C[C@](O)(COc2cc(F)cc(F)c2)C1 ZINC000585274351 1059091214 /nfs/dbraw/zinc/09/12/14/1059091214.db2.gz JICICXMAZLSXAA-SSEXGKCCSA-N 1 1 588.652 3.048 40 0 KGABMO CCc1[nH+]ccn1CCCOc1cccc(CN2CCN(C(=O)COC)C[C@](O)(COc3ccc(C)cc3)C2)c1 ZINC000585274409 1059092360 /nfs/dbraw/zinc/09/23/60/1059092360.db2.gz KRWUHCGACKSKGC-HKBQPEDESA-N 1 1 550.700 3.324 40 0 KGABMO CCc1[nH+]ccn1CCCOc1cccc(CN2CCN(C(=O)COC)C[C@@](O)(COc3ccc(C)cc3)C2)c1 ZINC000585274412 1059092071 /nfs/dbraw/zinc/09/20/71/1059092071.db2.gz KRWUHCGACKSKGC-WJOKGBTCSA-N 1 1 550.700 3.324 40 0 KGABMO COc1ccc(C[N@H+]2CCN(C(C)=O)C[C@@](O)(COc3ccc(C)cc3)C2)cc1OCCCn1ccnc1 ZINC000585274476 1059092592 /nfs/dbraw/zinc/09/25/92/1059092592.db2.gz YKPYKYSMUWDTSR-GDLZYMKVSA-N 1 1 522.646 3.143 40 0 KGABMO COc1ccc(C[N@@H+]2CCN(C(C)=O)C[C@@](O)(COc3ccc(C)cc3)C2)cc1OCCCn1ccnc1 ZINC000585274476 1059092570 /nfs/dbraw/zinc/09/25/70/1059092570.db2.gz YKPYKYSMUWDTSR-GDLZYMKVSA-N 1 1 522.646 3.143 40 0 KGABMO COc1ccc(C[N@H+]2CCN(C(C)=O)C[C@](O)(COc3ccc(C)cc3)C2)cc1OCCCn1ccnc1 ZINC000585274477 1059092522 /nfs/dbraw/zinc/09/25/22/1059092522.db2.gz YKPYKYSMUWDTSR-LJAQVGFWSA-N 1 1 522.646 3.143 40 0 KGABMO COc1ccc(C[N@@H+]2CCN(C(C)=O)C[C@](O)(COc3ccc(C)cc3)C2)cc1OCCCn1ccnc1 ZINC000585274477 1059092491 /nfs/dbraw/zinc/09/24/91/1059092491.db2.gz YKPYKYSMUWDTSR-LJAQVGFWSA-N 1 1 522.646 3.143 40 0 KGABMO COCC(=O)N1CC[N@@H+](Cc2cccc(OCCCN3CCCCCC3=O)c2)C[C@@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585274682 1059091537 /nfs/dbraw/zinc/09/15/37/1059091537.db2.gz MAXLTMIPUBTVEB-HKBQPEDESA-N 1 1 589.680 3.237 40 0 KGABMO COCC(=O)N1CC[N@H+](Cc2cccc(OCCCN3CCCCCC3=O)c2)C[C@@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585274682 1059091521 /nfs/dbraw/zinc/09/15/21/1059091521.db2.gz MAXLTMIPUBTVEB-HKBQPEDESA-N 1 1 589.680 3.237 40 0 KGABMO COCC(=O)N1CC[N@@H+](Cc2cccc(OCCCN3CCCCCC3=O)c2)C[C@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585274687 1059091327 /nfs/dbraw/zinc/09/13/27/1059091327.db2.gz MAXLTMIPUBTVEB-WJOKGBTCSA-N 1 1 589.680 3.237 40 0 KGABMO COCC(=O)N1CC[N@H+](Cc2cccc(OCCCN3CCCCCC3=O)c2)C[C@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585274687 1059091305 /nfs/dbraw/zinc/09/13/05/1059091305.db2.gz MAXLTMIPUBTVEB-WJOKGBTCSA-N 1 1 589.680 3.237 40 0 KGABMO COCC(=O)N1CCN(Cc2ccc(OCCCn3cc[nH+]c3C)c(OC)c2)C[C@@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585274718 1059091642 /nfs/dbraw/zinc/09/16/42/1059091642.db2.gz MMSDOFISAUWEAY-PMERELPUSA-N 1 1 588.652 3.048 40 0 KGABMO COCC(=O)N1CCN(Cc2ccc(OCCCn3cc[nH+]c3C)c(OC)c2)C[C@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585274720 1059091436 /nfs/dbraw/zinc/09/14/36/1059091436.db2.gz MMSDOFISAUWEAY-SSEXGKCCSA-N 1 1 588.652 3.048 40 0 KGABMO CCc1[nH+]ccn1CCCOc1cccc(CN2CCN(C(=O)COC)C[C@](O)(COc3ccc(F)c(F)c3)C2)c1 ZINC000585274824 1059090446 /nfs/dbraw/zinc/09/04/46/1059090446.db2.gz OTAFUSNQGGOXLU-PMERELPUSA-N 1 1 572.653 3.294 40 0 KGABMO CCc1[nH+]ccn1CCCOc1cccc(CN2CCN(C(=O)COC)C[C@@](O)(COc3ccc(F)c(F)c3)C2)c1 ZINC000585274825 1059090151 /nfs/dbraw/zinc/09/01/51/1059090151.db2.gz OTAFUSNQGGOXLU-SSEXGKCCSA-N 1 1 572.653 3.294 40 0 KGABMO COCC(=O)N1CC[N@@H+](Cc2cccc(OCCCn3cc(C)cn3)c2)C[C@@](O)(COc2ccc(C)cc2)C1 ZINC000585274898 1059091391 /nfs/dbraw/zinc/09/13/91/1059091391.db2.gz QZTHCCCIBGKNOS-PMERELPUSA-N 1 1 536.673 3.070 40 0 KGABMO COCC(=O)N1CC[N@H+](Cc2cccc(OCCCn3cc(C)cn3)c2)C[C@@](O)(COc2ccc(C)cc2)C1 ZINC000585274898 1059091369 /nfs/dbraw/zinc/09/13/69/1059091369.db2.gz QZTHCCCIBGKNOS-PMERELPUSA-N 1 1 536.673 3.070 40 0 KGABMO COCC(=O)N1CC[N@@H+](Cc2cccc(OCCCn3cc(C)cn3)c2)C[C@](O)(COc2ccc(C)cc2)C1 ZINC000585274899 1059091758 /nfs/dbraw/zinc/09/17/58/1059091758.db2.gz QZTHCCCIBGKNOS-SSEXGKCCSA-N 1 1 536.673 3.070 40 0 KGABMO COCC(=O)N1CC[N@H+](Cc2cccc(OCCCn3cc(C)cn3)c2)C[C@](O)(COc2ccc(C)cc2)C1 ZINC000585274899 1059091737 /nfs/dbraw/zinc/09/17/37/1059091737.db2.gz QZTHCCCIBGKNOS-SSEXGKCCSA-N 1 1 536.673 3.070 40 0 KGABMO COc1cc(C[N@H+]2CCN(C(C)=O)C[C@@](O)(COc3ccc(C)cc3)C2)ccc1OCCn1cc(C)cn1 ZINC000585274918 1059091598 /nfs/dbraw/zinc/09/15/98/1059091598.db2.gz ROPDMTNBOZSJPB-GDLZYMKVSA-N 1 1 522.646 3.062 40 0 KGABMO COc1cc(C[N@@H+]2CCN(C(C)=O)C[C@@](O)(COc3ccc(C)cc3)C2)ccc1OCCn1cc(C)cn1 ZINC000585274918 1059091578 /nfs/dbraw/zinc/09/15/78/1059091578.db2.gz ROPDMTNBOZSJPB-GDLZYMKVSA-N 1 1 522.646 3.062 40 0 KGABMO COc1cc(C[N@H+]2CCN(C(C)=O)C[C@](O)(COc3ccc(C)cc3)C2)ccc1OCCn1cc(C)cn1 ZINC000585274919 1059091186 /nfs/dbraw/zinc/09/11/86/1059091186.db2.gz ROPDMTNBOZSJPB-LJAQVGFWSA-N 1 1 522.646 3.062 40 0 KGABMO COc1cc(C[N@@H+]2CCN(C(C)=O)C[C@](O)(COc3ccc(C)cc3)C2)ccc1OCCn1cc(C)cn1 ZINC000585274919 1059091166 /nfs/dbraw/zinc/09/11/66/1059091166.db2.gz ROPDMTNBOZSJPB-LJAQVGFWSA-N 1 1 522.646 3.062 40 0 KGABMO CCc1[nH+]ccn1CCCOc1cc(CN2CCN(C(=O)COC)C[C@](O)(COc3cc(F)cc(F)c3)C2)ccc1OC ZINC000585274953 1059092225 /nfs/dbraw/zinc/09/22/25/1059092225.db2.gz SDFPUEVNRNCQCL-HKBQPEDESA-N 1 1 602.679 3.302 40 0 KGABMO CCc1[nH+]ccn1CCCOc1cc(CN2CCN(C(=O)COC)C[C@@](O)(COc3cc(F)cc(F)c3)C2)ccc1OC ZINC000585274954 1059092143 /nfs/dbraw/zinc/09/21/43/1059092143.db2.gz SDFPUEVNRNCQCL-WJOKGBTCSA-N 1 1 602.679 3.302 40 0 KGABMO CCc1[nH+]ccn1CCCOc1ccc(CN2CCN(C(=O)COC)C[C@](O)(COc3ccc(F)c(F)c3)C2)cc1OC ZINC000585274970 1059091991 /nfs/dbraw/zinc/09/19/91/1059091991.db2.gz SKYMGKMWTVCIHG-HKBQPEDESA-N 1 1 602.679 3.302 40 0 KGABMO CCc1[nH+]ccn1CCCOc1ccc(CN2CCN(C(=O)COC)C[C@@](O)(COc3ccc(F)c(F)c3)C2)cc1OC ZINC000585274971 1059092635 /nfs/dbraw/zinc/09/26/35/1059092635.db2.gz SKYMGKMWTVCIHG-WJOKGBTCSA-N 1 1 602.679 3.302 40 0 KGABMO COCC(=O)N1CC[N@@H+](Cc2cccc(OCCCn3cc(C)cn3)c2)C[C@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585274976 1059092462 /nfs/dbraw/zinc/09/24/62/1059092462.db2.gz SMMYMOGEPACWJP-GDLZYMKVSA-N 1 1 558.626 3.040 40 0 KGABMO COCC(=O)N1CC[N@H+](Cc2cccc(OCCCn3cc(C)cn3)c2)C[C@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585274976 1059092439 /nfs/dbraw/zinc/09/24/39/1059092439.db2.gz SMMYMOGEPACWJP-GDLZYMKVSA-N 1 1 558.626 3.040 40 0 KGABMO COCC(=O)N1CC[N@@H+](Cc2cccc(OCCCn3cc(C)cn3)c2)C[C@@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585274977 1059092317 /nfs/dbraw/zinc/09/23/17/1059092317.db2.gz SMMYMOGEPACWJP-LJAQVGFWSA-N 1 1 558.626 3.040 40 0 KGABMO COCC(=O)N1CC[N@H+](Cc2cccc(OCCCn3cc(C)cn3)c2)C[C@@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585274977 1059092296 /nfs/dbraw/zinc/09/22/96/1059092296.db2.gz SMMYMOGEPACWJP-LJAQVGFWSA-N 1 1 558.626 3.040 40 0 KGABMO COCC(=O)N1CCN(Cc2ccc(OC)c(OCCCn3cc[nH+]c3C)c2)C[C@@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585274984 1059093433 /nfs/dbraw/zinc/09/34/33/1059093433.db2.gz SOMCLXVGWLVCDX-PMERELPUSA-N 1 1 588.652 3.048 40 0 KGABMO COCC(=O)N1CCN(Cc2ccc(OC)c(OCCCn3cc[nH+]c3C)c2)C[C@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585274985 1059093140 /nfs/dbraw/zinc/09/31/40/1059093140.db2.gz SOMCLXVGWLVCDX-SSEXGKCCSA-N 1 1 588.652 3.048 40 0 KGABMO COCC(=O)N1CC[N@@H+](Cc2cccc(OCCCn3cc(C)cn3)c2)C[C@](O)(COc2cc(F)cc(F)c2)C1 ZINC000585274998 1059093042 /nfs/dbraw/zinc/09/30/42/1059093042.db2.gz SWFVUIAVIJYPFP-GDLZYMKVSA-N 1 1 558.626 3.040 40 0 KGABMO COCC(=O)N1CC[N@H+](Cc2cccc(OCCCn3cc(C)cn3)c2)C[C@](O)(COc2cc(F)cc(F)c2)C1 ZINC000585274998 1059093021 /nfs/dbraw/zinc/09/30/21/1059093021.db2.gz SWFVUIAVIJYPFP-GDLZYMKVSA-N 1 1 558.626 3.040 40 0 KGABMO COCC(=O)N1CC[N@@H+](Cc2cccc(OCCCn3cc(C)cn3)c2)C[C@@](O)(COc2cc(F)cc(F)c2)C1 ZINC000585274999 1059093101 /nfs/dbraw/zinc/09/31/01/1059093101.db2.gz SWFVUIAVIJYPFP-LJAQVGFWSA-N 1 1 558.626 3.040 40 0 KGABMO COCC(=O)N1CC[N@H+](Cc2cccc(OCCCn3cc(C)cn3)c2)C[C@@](O)(COc2cc(F)cc(F)c2)C1 ZINC000585274999 1059093082 /nfs/dbraw/zinc/09/30/82/1059093082.db2.gz SWFVUIAVIJYPFP-LJAQVGFWSA-N 1 1 558.626 3.040 40 0 KGABMO COCC(=O)N1CCN(Cc2cccc(OCCCn3cc[nH+]c3C)c2)C[C@@](O)(COc2ccc(C)cc2)C1 ZINC000585275049 1059093272 /nfs/dbraw/zinc/09/32/72/1059093272.db2.gz UXLSXKQTXQYHQR-PMERELPUSA-N 1 1 536.673 3.070 40 0 KGABMO COCC(=O)N1CCN(Cc2cccc(OCCCn3cc[nH+]c3C)c2)C[C@](O)(COc2ccc(C)cc2)C1 ZINC000585275050 1059092940 /nfs/dbraw/zinc/09/29/40/1059092940.db2.gz UXLSXKQTXQYHQR-SSEXGKCCSA-N 1 1 536.673 3.070 40 0 KGABMO COCC(=O)N1CC[N@@H+](Cc2cccc(OCCCn3nc(C)cc3C)c2)C[C@@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585275064 1059095793 /nfs/dbraw/zinc/09/57/93/1059095793.db2.gz VEZOGSOXXRHDCE-PMERELPUSA-N 1 1 572.653 3.348 40 0 KGABMO COCC(=O)N1CC[N@H+](Cc2cccc(OCCCn3nc(C)cc3C)c2)C[C@@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585275064 1059095771 /nfs/dbraw/zinc/09/57/71/1059095771.db2.gz VEZOGSOXXRHDCE-PMERELPUSA-N 1 1 572.653 3.348 40 0 KGABMO COCC(=O)N1CC[N@@H+](Cc2cccc(OCCCn3nc(C)cc3C)c2)C[C@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585275065 1059096081 /nfs/dbraw/zinc/09/60/81/1059096081.db2.gz VEZOGSOXXRHDCE-SSEXGKCCSA-N 1 1 572.653 3.348 40 0 KGABMO COCC(=O)N1CC[N@H+](Cc2cccc(OCCCn3nc(C)cc3C)c2)C[C@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585275065 1059096056 /nfs/dbraw/zinc/09/60/56/1059096056.db2.gz VEZOGSOXXRHDCE-SSEXGKCCSA-N 1 1 572.653 3.348 40 0 KGABMO CCc1[nH+]ccn1CCCOc1ccc(CN2CCN(C(=O)COC)C[C@](O)(COc3cc(F)cc(F)c3)C2)cc1OC ZINC000585275089 1059095625 /nfs/dbraw/zinc/09/56/25/1059095625.db2.gz WDGIVJNAMIJAAD-HKBQPEDESA-N 1 1 602.679 3.302 40 0 KGABMO CCc1[nH+]ccn1CCCOc1ccc(CN2CCN(C(=O)COC)C[C@@](O)(COc3cc(F)cc(F)c3)C2)cc1OC ZINC000585275090 1059096202 /nfs/dbraw/zinc/09/62/02/1059096202.db2.gz WDGIVJNAMIJAAD-WJOKGBTCSA-N 1 1 602.679 3.302 40 0 KGABMO COc1cc(C[N@H+]2CCN(C(C)=O)C[C@@](O)(COc3ccccc3)C2)ccc1OCCCn1cc(C)cn1 ZINC000585278981 1059095582 /nfs/dbraw/zinc/09/55/82/1059095582.db2.gz BIDYCTUVBCKONN-GDLZYMKVSA-N 1 1 522.646 3.143 40 0 KGABMO COc1cc(C[N@@H+]2CCN(C(C)=O)C[C@@](O)(COc3ccccc3)C2)ccc1OCCCn1cc(C)cn1 ZINC000585278981 1059095559 /nfs/dbraw/zinc/09/55/59/1059095559.db2.gz BIDYCTUVBCKONN-GDLZYMKVSA-N 1 1 522.646 3.143 40 0 KGABMO COc1cc(C[N@H+]2CCN(C(C)=O)C[C@](O)(COc3ccccc3)C2)ccc1OCCCn1cc(C)cn1 ZINC000585278982 1059096008 /nfs/dbraw/zinc/09/60/08/1059096008.db2.gz BIDYCTUVBCKONN-LJAQVGFWSA-N 1 1 522.646 3.143 40 0 KGABMO COc1cc(C[N@@H+]2CCN(C(C)=O)C[C@](O)(COc3ccccc3)C2)ccc1OCCCn1cc(C)cn1 ZINC000585278982 1059095984 /nfs/dbraw/zinc/09/59/84/1059095984.db2.gz BIDYCTUVBCKONN-LJAQVGFWSA-N 1 1 522.646 3.143 40 0 KGABMO COc1ccc(C[N@H+]2CCN(C(C)=O)C[C@@](O)(COc3ccccc3)C2)cc1OCCCn1cc(C)cn1 ZINC000585279024 1059104792 /nfs/dbraw/zinc/10/47/92/1059104792.db2.gz BWBMAZMLZLHZLA-GDLZYMKVSA-N 1 1 522.646 3.143 40 0 KGABMO COc1ccc(C[N@@H+]2CCN(C(C)=O)C[C@@](O)(COc3ccccc3)C2)cc1OCCCn1cc(C)cn1 ZINC000585279024 1059104784 /nfs/dbraw/zinc/10/47/84/1059104784.db2.gz BWBMAZMLZLHZLA-GDLZYMKVSA-N 1 1 522.646 3.143 40 0 KGABMO COc1ccc(C[N@H+]2CCN(C(C)=O)C[C@](O)(COc3ccccc3)C2)cc1OCCCn1cc(C)cn1 ZINC000585279025 1059104887 /nfs/dbraw/zinc/10/48/87/1059104887.db2.gz BWBMAZMLZLHZLA-LJAQVGFWSA-N 1 1 522.646 3.143 40 0 KGABMO COc1ccc(C[N@@H+]2CCN(C(C)=O)C[C@](O)(COc3ccccc3)C2)cc1OCCCn1cc(C)cn1 ZINC000585279025 1059104878 /nfs/dbraw/zinc/10/48/78/1059104878.db2.gz BWBMAZMLZLHZLA-LJAQVGFWSA-N 1 1 522.646 3.143 40 0 KGABMO COc1ccc(C[N@H+]2CCN(C(C)=O)C[C@@](O)(COc3ccc(F)cc3)C2)cc1OCCCn1cc(C)cn1 ZINC000585279040 1059104960 /nfs/dbraw/zinc/10/49/60/1059104960.db2.gz CCISCMOSEIOXJZ-GDLZYMKVSA-N 1 1 540.636 3.283 40 0 KGABMO COc1ccc(C[N@@H+]2CCN(C(C)=O)C[C@@](O)(COc3ccc(F)cc3)C2)cc1OCCCn1cc(C)cn1 ZINC000585279040 1059104949 /nfs/dbraw/zinc/10/49/49/1059104949.db2.gz CCISCMOSEIOXJZ-GDLZYMKVSA-N 1 1 540.636 3.283 40 0 KGABMO COc1ccc(C[N@H+]2CCN(C(C)=O)C[C@](O)(COc3ccc(F)cc3)C2)cc1OCCCn1cc(C)cn1 ZINC000585279041 1059105024 /nfs/dbraw/zinc/10/50/24/1059105024.db2.gz CCISCMOSEIOXJZ-LJAQVGFWSA-N 1 1 540.636 3.283 40 0 KGABMO COc1ccc(C[N@@H+]2CCN(C(C)=O)C[C@](O)(COc3ccc(F)cc3)C2)cc1OCCCn1cc(C)cn1 ZINC000585279041 1059105020 /nfs/dbraw/zinc/10/50/20/1059105020.db2.gz CCISCMOSEIOXJZ-LJAQVGFWSA-N 1 1 540.636 3.283 40 0 KGABMO CC(=O)N1CC[N@@H+](Cc2ccc(OCCCn3cc(C)ccc3=O)cc2)C[C@@](O)(COc2ccc(F)cc2)C1 ZINC000585279699 1059104755 /nfs/dbraw/zinc/10/47/55/1059104755.db2.gz FXQWIKPIHOSFLZ-PMERELPUSA-N 1 1 537.632 3.239 40 0 KGABMO CC(=O)N1CC[N@H+](Cc2ccc(OCCCn3cc(C)ccc3=O)cc2)C[C@@](O)(COc2ccc(F)cc2)C1 ZINC000585279699 1059104746 /nfs/dbraw/zinc/10/47/46/1059104746.db2.gz FXQWIKPIHOSFLZ-PMERELPUSA-N 1 1 537.632 3.239 40 0 KGABMO CC(=O)N1CC[N@@H+](Cc2ccc(OCCCn3cc(C)ccc3=O)cc2)C[C@](O)(COc2ccc(F)cc2)C1 ZINC000585279704 1059104919 /nfs/dbraw/zinc/10/49/19/1059104919.db2.gz FXQWIKPIHOSFLZ-SSEXGKCCSA-N 1 1 537.632 3.239 40 0 KGABMO CC(=O)N1CC[N@H+](Cc2ccc(OCCCn3cc(C)ccc3=O)cc2)C[C@](O)(COc2ccc(F)cc2)C1 ZINC000585279704 1059104904 /nfs/dbraw/zinc/10/49/04/1059104904.db2.gz FXQWIKPIHOSFLZ-SSEXGKCCSA-N 1 1 537.632 3.239 40 0 KGABMO CC(=O)N1CC[N@@H+](Cc2ccc(OCCCn3cc(C)ccc3=O)cc2)C[C@@](O)(COc2ccccc2)C1 ZINC000585279896 1059103556 /nfs/dbraw/zinc/10/35/56/1059103556.db2.gz GVXMANAZTNPYGU-PMERELPUSA-N 1 1 519.642 3.100 40 0 KGABMO CC(=O)N1CC[N@H+](Cc2ccc(OCCCn3cc(C)ccc3=O)cc2)C[C@@](O)(COc2ccccc2)C1 ZINC000585279896 1059103548 /nfs/dbraw/zinc/10/35/48/1059103548.db2.gz GVXMANAZTNPYGU-PMERELPUSA-N 1 1 519.642 3.100 40 0 KGABMO CC(=O)N1CC[N@@H+](Cc2ccc(OCCCn3cc(C)ccc3=O)cc2)C[C@](O)(COc2ccccc2)C1 ZINC000585279897 1059103455 /nfs/dbraw/zinc/10/34/55/1059103455.db2.gz GVXMANAZTNPYGU-SSEXGKCCSA-N 1 1 519.642 3.100 40 0 KGABMO CC(=O)N1CC[N@H+](Cc2ccc(OCCCn3cc(C)ccc3=O)cc2)C[C@](O)(COc2ccccc2)C1 ZINC000585279897 1059103448 /nfs/dbraw/zinc/10/34/48/1059103448.db2.gz GVXMANAZTNPYGU-SSEXGKCCSA-N 1 1 519.642 3.100 40 0 KGABMO COc1cc(C[N@H+]2CCN(C(C)=O)C[C@](O)(COc3ccccc3)C2)ccc1OCCCN1CCCCCC1=O ZINC000585279904 1059103421 /nfs/dbraw/zinc/10/34/21/1059103421.db2.gz HEJLCSMVXMGOPB-HKBQPEDESA-N 1 1 553.700 3.341 40 0 KGABMO COc1cc(C[N@@H+]2CCN(C(C)=O)C[C@](O)(COc3ccccc3)C2)ccc1OCCCN1CCCCCC1=O ZINC000585279904 1059103407 /nfs/dbraw/zinc/10/34/07/1059103407.db2.gz HEJLCSMVXMGOPB-HKBQPEDESA-N 1 1 553.700 3.341 40 0 KGABMO COc1cc(C[N@H+]2CCN(C(C)=O)C[C@@](O)(COc3ccccc3)C2)ccc1OCCCN1CCCCCC1=O ZINC000585279905 1059103379 /nfs/dbraw/zinc/10/33/79/1059103379.db2.gz HEJLCSMVXMGOPB-WJOKGBTCSA-N 1 1 553.700 3.341 40 0 KGABMO COc1cc(C[N@@H+]2CCN(C(C)=O)C[C@@](O)(COc3ccccc3)C2)ccc1OCCCN1CCCCCC1=O ZINC000585279905 1059103371 /nfs/dbraw/zinc/10/33/71/1059103371.db2.gz HEJLCSMVXMGOPB-WJOKGBTCSA-N 1 1 553.700 3.341 40 0 KGABMO COCC(=O)N1CCN(Cc2ccc(OCCn3cc[nH+]c3C(C)C)cc2)C[C@@](O)(COc2ccccc2)C1 ZINC000585279906 1059105040 /nfs/dbraw/zinc/10/50/40/1059105040.db2.gz HEVIGCRZOKFDAA-PMERELPUSA-N 1 1 536.673 3.186 40 0 KGABMO COCC(=O)N1CCN(Cc2ccc(OCCn3cc[nH+]c3C(C)C)cc2)C[C@](O)(COc2ccccc2)C1 ZINC000585279907 1059104810 /nfs/dbraw/zinc/10/48/10/1059104810.db2.gz HEVIGCRZOKFDAA-SSEXGKCCSA-N 1 1 536.673 3.186 40 0 KGABMO COCC(=O)N1CCN(Cc2ccc(OCCn3cc[nH+]c3C(C)C)cc2)C[C@@](O)(COc2ccc(C)cc2)C1 ZINC000585279984 1059106079 /nfs/dbraw/zinc/10/60/79/1059106079.db2.gz IGTYBZJIRFVJCH-HKBQPEDESA-N 1 1 550.700 3.495 40 0 KGABMO COCC(=O)N1CCN(Cc2ccc(OCCn3cc[nH+]c3C(C)C)cc2)C[C@](O)(COc2ccc(C)cc2)C1 ZINC000585279985 1059105999 /nfs/dbraw/zinc/10/59/99/1059105999.db2.gz IGTYBZJIRFVJCH-WJOKGBTCSA-N 1 1 550.700 3.495 40 0 KGABMO CC(=O)N1CC[N@@H+](Cc2cccc(OCCCn3cc(C)cn3)c2)C[C@](O)(COc2ccc(F)cc2)C1 ZINC000585279998 1059105983 /nfs/dbraw/zinc/10/59/83/1059105983.db2.gz IOMUJWRPKNHMFC-MUUNZHRXSA-N 1 1 510.610 3.274 40 0 KGABMO CC(=O)N1CC[N@H+](Cc2cccc(OCCCn3cc(C)cn3)c2)C[C@](O)(COc2ccc(F)cc2)C1 ZINC000585279998 1059105976 /nfs/dbraw/zinc/10/59/76/1059105976.db2.gz IOMUJWRPKNHMFC-MUUNZHRXSA-N 1 1 510.610 3.274 40 0 KGABMO CC(=O)N1CC[N@@H+](Cc2cccc(OCCCn3cc(C)cn3)c2)C[C@@](O)(COc2ccc(F)cc2)C1 ZINC000585280000 1059106118 /nfs/dbraw/zinc/10/61/18/1059106118.db2.gz IOMUJWRPKNHMFC-NDEPHWFRSA-N 1 1 510.610 3.274 40 0 KGABMO CC(=O)N1CC[N@H+](Cc2cccc(OCCCn3cc(C)cn3)c2)C[C@@](O)(COc2ccc(F)cc2)C1 ZINC000585280000 1059106109 /nfs/dbraw/zinc/10/61/09/1059106109.db2.gz IOMUJWRPKNHMFC-NDEPHWFRSA-N 1 1 510.610 3.274 40 0 KGABMO COCC(=O)N1CC[N@@H+](Cc2ccc(OCCCN3CCCCCC3=O)c(OC)c2)C[C@](O)(COc2ccc(C)cc2)C1 ZINC000585280003 1059106146 /nfs/dbraw/zinc/10/61/46/1059106146.db2.gz IOYWOAJNMSWHLG-MGBGTMOVSA-N 1 1 597.753 3.276 40 0 KGABMO COCC(=O)N1CC[N@H+](Cc2ccc(OCCCN3CCCCCC3=O)c(OC)c2)C[C@](O)(COc2ccc(C)cc2)C1 ZINC000585280003 1059106136 /nfs/dbraw/zinc/10/61/36/1059106136.db2.gz IOYWOAJNMSWHLG-MGBGTMOVSA-N 1 1 597.753 3.276 40 0 KGABMO COCC(=O)N1CC[N@@H+](Cc2ccc(OCCCN3CCCCCC3=O)c(OC)c2)C[C@@](O)(COc2ccc(C)cc2)C1 ZINC000585280016 1059106063 /nfs/dbraw/zinc/10/60/63/1059106063.db2.gz IOYWOAJNMSWHLG-XIFFEERXSA-N 1 1 597.753 3.276 40 0 KGABMO COCC(=O)N1CC[N@H+](Cc2ccc(OCCCN3CCCCCC3=O)c(OC)c2)C[C@@](O)(COc2ccc(C)cc2)C1 ZINC000585280016 1059106055 /nfs/dbraw/zinc/10/60/55/1059106055.db2.gz IOYWOAJNMSWHLG-XIFFEERXSA-N 1 1 597.753 3.276 40 0 KGABMO COCC(=O)N1CC[N@@H+](Cc2ccc(OC)c(OCCCN3CCCCCC3=O)c2)C[C@](O)(COc2ccc(C)cc2)C1 ZINC000585280027 1059099227 /nfs/dbraw/zinc/09/92/27/1059099227.db2.gz IQCCZNVQCMCQGX-MGBGTMOVSA-N 1 1 597.753 3.276 40 0 KGABMO COCC(=O)N1CC[N@H+](Cc2ccc(OC)c(OCCCN3CCCCCC3=O)c2)C[C@](O)(COc2ccc(C)cc2)C1 ZINC000585280027 1059099208 /nfs/dbraw/zinc/09/92/08/1059099208.db2.gz IQCCZNVQCMCQGX-MGBGTMOVSA-N 1 1 597.753 3.276 40 0 KGABMO COCC(=O)N1CC[N@@H+](Cc2ccc(OC)c(OCCCN3CCCCCC3=O)c2)C[C@@](O)(COc2ccc(C)cc2)C1 ZINC000585280028 1059099121 /nfs/dbraw/zinc/09/91/21/1059099121.db2.gz IQCCZNVQCMCQGX-XIFFEERXSA-N 1 1 597.753 3.276 40 0 KGABMO COCC(=O)N1CC[N@H+](Cc2ccc(OC)c(OCCCN3CCCCCC3=O)c2)C[C@@](O)(COc2ccc(C)cc2)C1 ZINC000585280028 1059099106 /nfs/dbraw/zinc/09/91/06/1059099106.db2.gz IQCCZNVQCMCQGX-XIFFEERXSA-N 1 1 597.753 3.276 40 0 KGABMO COc1ccc(C[N@H+]2CC[C@H](O)[C@@](O)(COc3cccc(F)c3)C2)cc1OCCCN1CCCCCC1=O ZINC000585280110 1059100245 /nfs/dbraw/zinc/10/02/45/1059100245.db2.gz JTEGGCYUWWFRST-YTMVLYRLSA-N 1 1 530.637 3.383 40 0 KGABMO COc1ccc(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3cccc(F)c3)C2)cc1OCCCN1CCCCCC1=O ZINC000585280110 1059100224 /nfs/dbraw/zinc/10/02/24/1059100224.db2.gz JTEGGCYUWWFRST-YTMVLYRLSA-N 1 1 530.637 3.383 40 0 KGABMO COc1ccc(C[N@H+]2CCN(C(C)=O)C[C@@](O)(COc3ccc(C)cc3)C2)cc1OCCCn1cccn1 ZINC000585280267 1059099175 /nfs/dbraw/zinc/09/91/75/1059099175.db2.gz LJTRPZAHSJEMGV-GDLZYMKVSA-N 1 1 522.646 3.143 40 0 KGABMO COc1ccc(C[N@@H+]2CCN(C(C)=O)C[C@@](O)(COc3ccc(C)cc3)C2)cc1OCCCn1cccn1 ZINC000585280267 1059099155 /nfs/dbraw/zinc/09/91/55/1059099155.db2.gz LJTRPZAHSJEMGV-GDLZYMKVSA-N 1 1 522.646 3.143 40 0 KGABMO COc1ccc(C[N@H+]2CCN(C(C)=O)C[C@](O)(COc3ccc(C)cc3)C2)cc1OCCCn1cccn1 ZINC000585280268 1059099354 /nfs/dbraw/zinc/09/93/54/1059099354.db2.gz LJTRPZAHSJEMGV-LJAQVGFWSA-N 1 1 522.646 3.143 40 0 KGABMO COc1ccc(C[N@@H+]2CCN(C(C)=O)C[C@](O)(COc3ccc(C)cc3)C2)cc1OCCCn1cccn1 ZINC000585280268 1059099336 /nfs/dbraw/zinc/09/93/36/1059099336.db2.gz LJTRPZAHSJEMGV-LJAQVGFWSA-N 1 1 522.646 3.143 40 0 KGABMO COCC(=O)N1CC[N@@H+](Cc2ccc(OCCCn3cc(C)ccc3=O)cc2)C[C@@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585280280 1059098953 /nfs/dbraw/zinc/09/89/53/1059098953.db2.gz LXXOVIXGVAPILC-HKBQPEDESA-N 1 1 585.648 3.005 40 0 KGABMO COCC(=O)N1CC[N@H+](Cc2ccc(OCCCn3cc(C)ccc3=O)cc2)C[C@@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585280280 1059098931 /nfs/dbraw/zinc/09/89/31/1059098931.db2.gz LXXOVIXGVAPILC-HKBQPEDESA-N 1 1 585.648 3.005 40 0 KGABMO COCC(=O)N1CC[N@@H+](Cc2ccc(OCCCn3cc(C)ccc3=O)cc2)C[C@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585280281 1059099068 /nfs/dbraw/zinc/09/90/68/1059099068.db2.gz LXXOVIXGVAPILC-WJOKGBTCSA-N 1 1 585.648 3.005 40 0 KGABMO COCC(=O)N1CC[N@H+](Cc2ccc(OCCCn3cc(C)ccc3=O)cc2)C[C@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585280281 1059099050 /nfs/dbraw/zinc/09/90/50/1059099050.db2.gz LXXOVIXGVAPILC-WJOKGBTCSA-N 1 1 585.648 3.005 40 0 KGABMO COCC(=O)N1CC[N@@H+](Cc2ccc(OC)c(OCCCn3cc(C)cn3)c2)C[C@@](O)(COc2ccc(C)cc2)C1 ZINC000585280312 1059099013 /nfs/dbraw/zinc/09/90/13/1059099013.db2.gz MLBNHQIDITXJMM-HKBQPEDESA-N 1 1 566.699 3.078 40 0 KGABMO COCC(=O)N1CC[N@H+](Cc2ccc(OC)c(OCCCn3cc(C)cn3)c2)C[C@@](O)(COc2ccc(C)cc2)C1 ZINC000585280312 1059098996 /nfs/dbraw/zinc/09/89/96/1059098996.db2.gz MLBNHQIDITXJMM-HKBQPEDESA-N 1 1 566.699 3.078 40 0 KGABMO COCC(=O)N1CC[N@@H+](Cc2ccc(OC)c(OCCCn3cc(C)cn3)c2)C[C@](O)(COc2ccc(C)cc2)C1 ZINC000585280313 1059099420 /nfs/dbraw/zinc/09/94/20/1059099420.db2.gz MLBNHQIDITXJMM-WJOKGBTCSA-N 1 1 566.699 3.078 40 0 KGABMO COCC(=O)N1CC[N@H+](Cc2ccc(OC)c(OCCCn3cc(C)cn3)c2)C[C@](O)(COc2ccc(C)cc2)C1 ZINC000585280313 1059099398 /nfs/dbraw/zinc/09/93/98/1059099398.db2.gz MLBNHQIDITXJMM-WJOKGBTCSA-N 1 1 566.699 3.078 40 0 KGABMO CC(=O)N1CC[N@@H+](Cc2ccc(OCCCN3CCCCC3=O)cc2)C[C@@](O)(COc2ccc(C)cc2)C1 ZINC000585280355 1059098266 /nfs/dbraw/zinc/09/82/66/1059098266.db2.gz NEGDPRKNXNXGKZ-PMERELPUSA-N 1 1 523.674 3.251 40 0 KGABMO CC(=O)N1CC[N@H+](Cc2ccc(OCCCN3CCCCC3=O)cc2)C[C@@](O)(COc2ccc(C)cc2)C1 ZINC000585280355 1059098244 /nfs/dbraw/zinc/09/82/44/1059098244.db2.gz NEGDPRKNXNXGKZ-PMERELPUSA-N 1 1 523.674 3.251 40 0 KGABMO CC(=O)N1CC[N@@H+](Cc2ccc(OCCCN3CCCCC3=O)cc2)C[C@](O)(COc2ccc(C)cc2)C1 ZINC000585280356 1059098392 /nfs/dbraw/zinc/09/83/92/1059098392.db2.gz NEGDPRKNXNXGKZ-SSEXGKCCSA-N 1 1 523.674 3.251 40 0 KGABMO CC(=O)N1CC[N@H+](Cc2ccc(OCCCN3CCCCC3=O)cc2)C[C@](O)(COc2ccc(C)cc2)C1 ZINC000585280356 1059098371 /nfs/dbraw/zinc/09/83/71/1059098371.db2.gz NEGDPRKNXNXGKZ-SSEXGKCCSA-N 1 1 523.674 3.251 40 0 KGABMO COc1ccc(C[N@H+]2CCN(C(C)=O)C[C@](O)(COc3ccc(C)cc3)C2)cc1OCCCn1cc(C)cn1 ZINC000585280361 1059098448 /nfs/dbraw/zinc/09/84/48/1059098448.db2.gz NIBZHTJZSCBBEK-PMERELPUSA-N 1 1 536.673 3.452 40 0 KGABMO COc1ccc(C[N@@H+]2CCN(C(C)=O)C[C@](O)(COc3ccc(C)cc3)C2)cc1OCCCn1cc(C)cn1 ZINC000585280361 1059098432 /nfs/dbraw/zinc/09/84/32/1059098432.db2.gz NIBZHTJZSCBBEK-PMERELPUSA-N 1 1 536.673 3.452 40 0 KGABMO COc1ccc(C[N@H+]2CCN(C(C)=O)C[C@@](O)(COc3ccc(C)cc3)C2)cc1OCCCn1cc(C)cn1 ZINC000585280362 1059098157 /nfs/dbraw/zinc/09/81/57/1059098157.db2.gz NIBZHTJZSCBBEK-SSEXGKCCSA-N 1 1 536.673 3.452 40 0 KGABMO COc1ccc(C[N@@H+]2CCN(C(C)=O)C[C@@](O)(COc3ccc(C)cc3)C2)cc1OCCCn1cc(C)cn1 ZINC000585280362 1059098139 /nfs/dbraw/zinc/09/81/39/1059098139.db2.gz NIBZHTJZSCBBEK-SSEXGKCCSA-N 1 1 536.673 3.452 40 0 KGABMO CC(=O)N1CC[N@@H+](Cc2cccc(OCCCN3CCCCCC3=O)c2)C[C@@](O)(COc2ccc(F)cc2)C1 ZINC000585280441 1059098508 /nfs/dbraw/zinc/09/85/08/1059098508.db2.gz NOYINYJHJSQTFT-PMERELPUSA-N 1 1 541.664 3.471 40 0 KGABMO CC(=O)N1CC[N@H+](Cc2cccc(OCCCN3CCCCCC3=O)c2)C[C@@](O)(COc2ccc(F)cc2)C1 ZINC000585280441 1059098489 /nfs/dbraw/zinc/09/84/89/1059098489.db2.gz NOYINYJHJSQTFT-PMERELPUSA-N 1 1 541.664 3.471 40 0 KGABMO CC(=O)N1CC[N@@H+](Cc2cccc(OCCCN3CCCCCC3=O)c2)C[C@](O)(COc2ccc(F)cc2)C1 ZINC000585280442 1059098574 /nfs/dbraw/zinc/09/85/74/1059098574.db2.gz NOYINYJHJSQTFT-SSEXGKCCSA-N 1 1 541.664 3.471 40 0 KGABMO CC(=O)N1CC[N@H+](Cc2cccc(OCCCN3CCCCCC3=O)c2)C[C@](O)(COc2ccc(F)cc2)C1 ZINC000585280442 1059098551 /nfs/dbraw/zinc/09/85/51/1059098551.db2.gz NOYINYJHJSQTFT-SSEXGKCCSA-N 1 1 541.664 3.471 40 0 KGABMO COCC(=O)N1CC[N@@H+](Cc2ccc(OCCCn3cc(C)cn3)c(OC)c2)C[C@@](O)(COc2ccc(C)cc2)C1 ZINC000585280473 1059097847 /nfs/dbraw/zinc/09/78/47/1059097847.db2.gz ODZOKMFHPNZZAX-HKBQPEDESA-N 1 1 566.699 3.078 40 0 KGABMO COCC(=O)N1CC[N@H+](Cc2ccc(OCCCn3cc(C)cn3)c(OC)c2)C[C@@](O)(COc2ccc(C)cc2)C1 ZINC000585280473 1059097829 /nfs/dbraw/zinc/09/78/29/1059097829.db2.gz ODZOKMFHPNZZAX-HKBQPEDESA-N 1 1 566.699 3.078 40 0 KGABMO COCC(=O)N1CC[N@@H+](Cc2ccc(OCCCn3cc(C)cn3)c(OC)c2)C[C@](O)(COc2ccc(C)cc2)C1 ZINC000585280475 1059097595 /nfs/dbraw/zinc/09/75/95/1059097595.db2.gz ODZOKMFHPNZZAX-WJOKGBTCSA-N 1 1 566.699 3.078 40 0 KGABMO COCC(=O)N1CC[N@H+](Cc2ccc(OCCCn3cc(C)cn3)c(OC)c2)C[C@](O)(COc2ccc(C)cc2)C1 ZINC000585280475 1059097573 /nfs/dbraw/zinc/09/75/73/1059097573.db2.gz ODZOKMFHPNZZAX-WJOKGBTCSA-N 1 1 566.699 3.078 40 0 KGABMO COc1cc(C[N@H+]2CCN(C(C)=O)C[C@@](O)(COc3ccc(C)cc3)C2)ccc1OCCCn1cccn1 ZINC000585280524 1059097522 /nfs/dbraw/zinc/09/75/22/1059097522.db2.gz PCHORPLHKHUUNZ-GDLZYMKVSA-N 1 1 522.646 3.143 40 0 KGABMO COc1cc(C[N@@H+]2CCN(C(C)=O)C[C@@](O)(COc3ccc(C)cc3)C2)ccc1OCCCn1cccn1 ZINC000585280524 1059097500 /nfs/dbraw/zinc/09/75/00/1059097500.db2.gz PCHORPLHKHUUNZ-GDLZYMKVSA-N 1 1 522.646 3.143 40 0 KGABMO COc1cc(C[N@H+]2CCN(C(C)=O)C[C@](O)(COc3ccc(C)cc3)C2)ccc1OCCCn1cccn1 ZINC000585280525 1059097450 /nfs/dbraw/zinc/09/74/50/1059097450.db2.gz PCHORPLHKHUUNZ-LJAQVGFWSA-N 1 1 522.646 3.143 40 0 KGABMO COc1cc(C[N@@H+]2CCN(C(C)=O)C[C@](O)(COc3ccc(C)cc3)C2)ccc1OCCCn1cccn1 ZINC000585280525 1059097428 /nfs/dbraw/zinc/09/74/28/1059097428.db2.gz PCHORPLHKHUUNZ-LJAQVGFWSA-N 1 1 522.646 3.143 40 0 KGABMO COc1ccc(C[N@H+]2CCN(C(C)=O)C[C@](O)(COc3ccc(F)cc3)C2)cc1OCCCN1CCCCCC1=O ZINC000585280530 1059097790 /nfs/dbraw/zinc/09/77/90/1059097790.db2.gz PFAOQXGKIMUMOE-HKBQPEDESA-N 1 1 571.690 3.480 40 0 KGABMO COc1ccc(C[N@@H+]2CCN(C(C)=O)C[C@](O)(COc3ccc(F)cc3)C2)cc1OCCCN1CCCCCC1=O ZINC000585280530 1059097771 /nfs/dbraw/zinc/09/77/71/1059097771.db2.gz PFAOQXGKIMUMOE-HKBQPEDESA-N 1 1 571.690 3.480 40 0 KGABMO COc1ccc(C[N@H+]2CCN(C(C)=O)C[C@@](O)(COc3ccc(F)cc3)C2)cc1OCCCN1CCCCCC1=O ZINC000585280534 1059098329 /nfs/dbraw/zinc/09/83/29/1059098329.db2.gz PFAOQXGKIMUMOE-WJOKGBTCSA-N 1 1 571.690 3.480 40 0 KGABMO COc1ccc(C[N@@H+]2CCN(C(C)=O)C[C@@](O)(COc3ccc(F)cc3)C2)cc1OCCCN1CCCCCC1=O ZINC000585280534 1059098308 /nfs/dbraw/zinc/09/83/08/1059098308.db2.gz PFAOQXGKIMUMOE-WJOKGBTCSA-N 1 1 571.690 3.480 40 0 KGABMO COc1cc(C[N@H+]2CCN(C(C)=O)C[C@](O)(COc3ccc(C)cc3)C2)ccc1OCCCn1cc(C)cn1 ZINC000585280554 1059098624 /nfs/dbraw/zinc/09/86/24/1059098624.db2.gz PODULFDWQTZRJT-PMERELPUSA-N 1 1 536.673 3.452 40 0 KGABMO COc1cc(C[N@@H+]2CCN(C(C)=O)C[C@](O)(COc3ccc(C)cc3)C2)ccc1OCCCn1cc(C)cn1 ZINC000585280554 1059098604 /nfs/dbraw/zinc/09/86/04/1059098604.db2.gz PODULFDWQTZRJT-PMERELPUSA-N 1 1 536.673 3.452 40 0 KGABMO COc1cc(C[N@H+]2CCN(C(C)=O)C[C@@](O)(COc3ccc(C)cc3)C2)ccc1OCCCn1cc(C)cn1 ZINC000585280555 1059098686 /nfs/dbraw/zinc/09/86/86/1059098686.db2.gz PODULFDWQTZRJT-SSEXGKCCSA-N 1 1 536.673 3.452 40 0 KGABMO COc1cc(C[N@@H+]2CCN(C(C)=O)C[C@@](O)(COc3ccc(C)cc3)C2)ccc1OCCCn1cc(C)cn1 ZINC000585280555 1059098669 /nfs/dbraw/zinc/09/86/69/1059098669.db2.gz PODULFDWQTZRJT-SSEXGKCCSA-N 1 1 536.673 3.452 40 0 KGABMO CC(=O)N1CC[N@@H+](Cc2ccc(OCCCn3cc(C)ccc3=O)cc2)C[C@@](O)(COc2ccc(C)cc2)C1 ZINC000585280638 1059097660 /nfs/dbraw/zinc/09/76/60/1059097660.db2.gz QPDHCCPGKUENPN-HKBQPEDESA-N 1 1 533.669 3.408 40 0 KGABMO CC(=O)N1CC[N@H+](Cc2ccc(OCCCn3cc(C)ccc3=O)cc2)C[C@@](O)(COc2ccc(C)cc2)C1 ZINC000585280638 1059097639 /nfs/dbraw/zinc/09/76/39/1059097639.db2.gz QPDHCCPGKUENPN-HKBQPEDESA-N 1 1 533.669 3.408 40 0 KGABMO CC(=O)N1CC[N@@H+](Cc2ccc(OCCCn3cc(C)ccc3=O)cc2)C[C@](O)(COc2ccc(C)cc2)C1 ZINC000585280642 1059097729 /nfs/dbraw/zinc/09/77/29/1059097729.db2.gz QPDHCCPGKUENPN-WJOKGBTCSA-N 1 1 533.669 3.408 40 0 KGABMO CC(=O)N1CC[N@H+](Cc2ccc(OCCCn3cc(C)ccc3=O)cc2)C[C@](O)(COc2ccc(C)cc2)C1 ZINC000585280642 1059097706 /nfs/dbraw/zinc/09/77/06/1059097706.db2.gz QPDHCCPGKUENPN-WJOKGBTCSA-N 1 1 533.669 3.408 40 0 KGABMO COc1cc(C[N@H+]2CC[C@H](O)[C@@](O)(COc3ccc(Cl)cc3)C2)ccc1OCCn1cc(C)cn1 ZINC000585280718 1059097900 /nfs/dbraw/zinc/09/79/00/1059097900.db2.gz ABTYDGZUWJAZLL-UIOOFZCWSA-N 1 1 502.011 3.309 40 0 KGABMO COc1cc(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3ccc(Cl)cc3)C2)ccc1OCCn1cc(C)cn1 ZINC000585280718 1059097884 /nfs/dbraw/zinc/09/78/84/1059097884.db2.gz ABTYDGZUWJAZLL-UIOOFZCWSA-N 1 1 502.011 3.309 40 0 KGABMO COc1cc(C[N@H+]2CCN(C(C)=O)C[C@@](O)(COc3ccc(F)cc3)C2)ccc1OCCCn1cc(C)cn1 ZINC000585280761 1059096466 /nfs/dbraw/zinc/09/64/66/1059096466.db2.gz SHJVZELZRCIWST-GDLZYMKVSA-N 1 1 540.636 3.283 40 0 KGABMO COc1cc(C[N@@H+]2CCN(C(C)=O)C[C@@](O)(COc3ccc(F)cc3)C2)ccc1OCCCn1cc(C)cn1 ZINC000585280761 1059096445 /nfs/dbraw/zinc/09/64/45/1059096445.db2.gz SHJVZELZRCIWST-GDLZYMKVSA-N 1 1 540.636 3.283 40 0 KGABMO COc1cc(C[N@H+]2CCN(C(C)=O)C[C@](O)(COc3ccc(F)cc3)C2)ccc1OCCCn1cc(C)cn1 ZINC000585280765 1059096595 /nfs/dbraw/zinc/09/65/95/1059096595.db2.gz SHJVZELZRCIWST-LJAQVGFWSA-N 1 1 540.636 3.283 40 0 KGABMO COc1cc(C[N@@H+]2CCN(C(C)=O)C[C@](O)(COc3ccc(F)cc3)C2)ccc1OCCCn1cc(C)cn1 ZINC000585280765 1059096566 /nfs/dbraw/zinc/09/65/66/1059096566.db2.gz SHJVZELZRCIWST-LJAQVGFWSA-N 1 1 540.636 3.283 40 0 KGABMO COc1ccc(C[N@H+]2CCN(C(C)=O)C[C@](O)(COc3ccccc3)C2)cc1OCCCN1CCCCCC1=O ZINC000585280800 1059096528 /nfs/dbraw/zinc/09/65/28/1059096528.db2.gz SOVOHZREQWPPOL-HKBQPEDESA-N 1 1 553.700 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KGABMO COc1ccc(C[N@H+]2CCOC[C@](O)(COc3ccc(F)c(F)c3)C2)cc1OCCn1cc(C)cn1 ZINC000585280839 1059097086 /nfs/dbraw/zinc/09/70/86/1059097086.db2.gz ASHWDTMZIHHLMV-SANMLTNESA-N 1 1 503.546 3.200 40 0 KGABMO COc1ccc(C[N@@H+]2CCOC[C@](O)(COc3ccc(F)c(F)c3)C2)cc1OCCn1cc(C)cn1 ZINC000585280839 1059097067 /nfs/dbraw/zinc/09/70/67/1059097067.db2.gz ASHWDTMZIHHLMV-SANMLTNESA-N 1 1 503.546 3.200 40 0 KGABMO COc1ccc(C[N@H+]2CC[C@H](O)[C@@](O)(COc3cccc(Cl)c3)C2)cc1OCCCn1ccnc1 ZINC000585280878 1059096991 /nfs/dbraw/zinc/09/69/91/1059096991.db2.gz BBEBUTRKBDTVLN-UIOOFZCWSA-N 1 1 502.011 3.391 40 0 KGABMO COc1ccc(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3cccc(Cl)c3)C2)cc1OCCCn1ccnc1 ZINC000585280878 1059096968 /nfs/dbraw/zinc/09/69/68/1059096968.db2.gz BBEBUTRKBDTVLN-UIOOFZCWSA-N 1 1 502.011 3.391 40 0 KGABMO COc1cc(C[N@H+]2CC[C@H](O)[C@@](O)(COc3cc(C)ccc3Cl)C2)ccc1OCCn1cccn1 ZINC000585280889 1059096855 /nfs/dbraw/zinc/09/68/55/1059096855.db2.gz BPSZLKOWTYNOAT-UIOOFZCWSA-N 1 1 502.011 3.309 40 0 KGABMO COc1cc(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3cc(C)ccc3Cl)C2)ccc1OCCn1cccn1 ZINC000585280889 1059096833 /nfs/dbraw/zinc/09/68/33/1059096833.db2.gz BPSZLKOWTYNOAT-UIOOFZCWSA-N 1 1 502.011 3.309 40 0 KGABMO COc1cc(C[N@H+]2CCN(C(C)=O)C[C@@](O)(COc3ccc(C)c(C)c3)C2)ccc1OCCn1cccn1 ZINC000585280890 1059097384 /nfs/dbraw/zinc/09/73/84/1059097384.db2.gz BQZHDAFYZACLPJ-GDLZYMKVSA-N 1 1 522.646 3.062 40 0 KGABMO COc1cc(C[N@@H+]2CCN(C(C)=O)C[C@@](O)(COc3ccc(C)c(C)c3)C2)ccc1OCCn1cccn1 ZINC000585280890 1059097362 /nfs/dbraw/zinc/09/73/62/1059097362.db2.gz BQZHDAFYZACLPJ-GDLZYMKVSA-N 1 1 522.646 3.062 40 0 KGABMO COc1cc(C[N@H+]2CCN(C(C)=O)C[C@](O)(COc3ccc(C)c(C)c3)C2)ccc1OCCn1cccn1 ZINC000585280891 1059097315 /nfs/dbraw/zinc/09/73/15/1059097315.db2.gz BQZHDAFYZACLPJ-LJAQVGFWSA-N 1 1 522.646 3.062 40 0 KGABMO COc1cc(C[N@@H+]2CCN(C(C)=O)C[C@](O)(COc3ccc(C)c(C)c3)C2)ccc1OCCn1cccn1 ZINC000585280891 1059097300 /nfs/dbraw/zinc/09/73/00/1059097300.db2.gz BQZHDAFYZACLPJ-LJAQVGFWSA-N 1 1 522.646 3.062 40 0 KGABMO COc1cc(CN2CCOC[C@@](O)(COc3ccc(F)c(F)c3)C2)ccc1OCCn1cc[nH+]c1C ZINC000585280925 1059095898 /nfs/dbraw/zinc/09/58/98/1059095898.db2.gz CUUVLLVGDYECKH-AREMUKBSSA-N 1 1 503.546 3.200 40 0 KGABMO COc1cc(CN2CCOC[C@](O)(COc3ccc(F)c(F)c3)C2)ccc1OCCn1cc[nH+]c1C ZINC000585280926 1059096751 /nfs/dbraw/zinc/09/67/51/1059096751.db2.gz CUUVLLVGDYECKH-SANMLTNESA-N 1 1 503.546 3.200 40 0 KGABMO COCC(=O)N1CC[N@@H+](Cc2ccc(OCCCn3cc(C)ccc3=O)cc2)C[C@](O)(COc2ccc(C)cc2)C1 ZINC000585280985 1059099708 /nfs/dbraw/zinc/09/97/08/1059099708.db2.gz UVTNJSFTQPQDGV-JGCGQSQUSA-N 1 1 563.695 3.035 40 0 KGABMO COCC(=O)N1CC[N@H+](Cc2ccc(OCCCn3cc(C)ccc3=O)cc2)C[C@](O)(COc2ccc(C)cc2)C1 ZINC000585280985 1059099689 /nfs/dbraw/zinc/09/96/89/1059099689.db2.gz UVTNJSFTQPQDGV-JGCGQSQUSA-N 1 1 563.695 3.035 40 0 KGABMO COCC(=O)N1CC[N@@H+](Cc2ccc(OCCCn3cc(C)ccc3=O)cc2)C[C@@](O)(COc2ccc(C)cc2)C1 ZINC000585280988 1059100335 /nfs/dbraw/zinc/10/03/35/1059100335.db2.gz UVTNJSFTQPQDGV-YTTGMZPUSA-N 1 1 563.695 3.035 40 0 KGABMO COCC(=O)N1CC[N@H+](Cc2ccc(OCCCn3cc(C)ccc3=O)cc2)C[C@@](O)(COc2ccc(C)cc2)C1 ZINC000585280988 1059100321 /nfs/dbraw/zinc/10/03/21/1059100321.db2.gz UVTNJSFTQPQDGV-YTTGMZPUSA-N 1 1 563.695 3.035 40 0 KGABMO COc1ccc(CN2CCOC[C@@](O)(COc3ccc(F)c(F)c3)C2)cc1OCCn1cc[nH+]c1C ZINC000585281004 1059100273 /nfs/dbraw/zinc/10/02/73/1059100273.db2.gz DFCNMCUQBJWUBS-AREMUKBSSA-N 1 1 503.546 3.200 40 0 KGABMO COc1ccc(CN2CCOC[C@](O)(COc3ccc(F)c(F)c3)C2)cc1OCCn1cc[nH+]c1C ZINC000585281006 1059099822 /nfs/dbraw/zinc/09/98/22/1059099822.db2.gz DFCNMCUQBJWUBS-SANMLTNESA-N 1 1 503.546 3.200 40 0 KGABMO COc1cc(C[N@H+]2CCN(C(C)=O)C[C@](O)(COc3ccc(F)cc3)C2)ccc1OCCCN1CCCCCC1=O ZINC000585281050 1059107155 /nfs/dbraw/zinc/10/71/55/1059107155.db2.gz VVBPCCBRYPZXRI-HKBQPEDESA-N 1 1 571.690 3.480 40 0 KGABMO COc1cc(C[N@@H+]2CCN(C(C)=O)C[C@](O)(COc3ccc(F)cc3)C2)ccc1OCCCN1CCCCCC1=O ZINC000585281050 1059107145 /nfs/dbraw/zinc/10/71/45/1059107145.db2.gz VVBPCCBRYPZXRI-HKBQPEDESA-N 1 1 571.690 3.480 40 0 KGABMO COc1cc(C[N@H+]2CCN(C(C)=O)C[C@@](O)(COc3ccc(F)cc3)C2)ccc1OCCCN1CCCCCC1=O ZINC000585281052 1059106879 /nfs/dbraw/zinc/10/68/79/1059106879.db2.gz VVBPCCBRYPZXRI-WJOKGBTCSA-N 1 1 571.690 3.480 40 0 KGABMO COc1cc(C[N@@H+]2CCN(C(C)=O)C[C@@](O)(COc3ccc(F)cc3)C2)ccc1OCCCN1CCCCCC1=O ZINC000585281052 1059106865 /nfs/dbraw/zinc/10/68/65/1059106865.db2.gz VVBPCCBRYPZXRI-WJOKGBTCSA-N 1 1 571.690 3.480 40 0 KGABMO CC(=O)N1CC[N@@H+](Cc2ccc(OCCn3cc(Cl)cn3)cc2)C[C@](O)(COc2ccc(C)cc2)C1 ZINC000585281060 1059106972 /nfs/dbraw/zinc/10/69/72/1059106972.db2.gz VVMADQGMTNTRQW-HHHXNRCGSA-N 1 1 513.038 3.398 40 0 KGABMO CC(=O)N1CC[N@H+](Cc2ccc(OCCn3cc(Cl)cn3)cc2)C[C@](O)(COc2ccc(C)cc2)C1 ZINC000585281060 1059106966 /nfs/dbraw/zinc/10/69/66/1059106966.db2.gz VVMADQGMTNTRQW-HHHXNRCGSA-N 1 1 513.038 3.398 40 0 KGABMO CC(=O)N1CC[N@@H+](Cc2ccc(OCCn3cc(Cl)cn3)cc2)C[C@@](O)(COc2ccc(C)cc2)C1 ZINC000585281070 1059107077 /nfs/dbraw/zinc/10/70/77/1059107077.db2.gz VVMADQGMTNTRQW-MHZLTWQESA-N 1 1 513.038 3.398 40 0 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