smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(N2CC[NH+](CCN3C(=O)N[C@@H](CCOC(C)(C)C)C3=O)CC2)cc1 ZINC000804150784 1075552524 /nfs/dbraw/zinc/55/25/24/1075552524.db2.gz MMBWUUSLVLSVAC-IBGZPJMESA-N 1 1 418.538 1.943 20 10 HDCDMO O=C(CCCC[NH+]1CCOCC1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000732060158 1075598275 /nfs/dbraw/zinc/59/82/75/1075598275.db2.gz ODMGDMOPYZHECB-UHFFFAOYSA-N 1 1 409.552 1.040 20 10 HDCDMO C[C@@H]1CN(c2ccc(CNC(=O)NC[C@@H]3C[N@@H+](C)CCN3C)cc2F)C[C@H](C)O1 ZINC000732241334 1075677605 /nfs/dbraw/zinc/67/76/05/1075677605.db2.gz GNDUCSCKROMJET-SOLBZPMBSA-N 1 1 407.534 1.484 20 10 HDCDMO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCc2ccc(N3CCOCC3)cc2)CC1=O ZINC000733139568 1075973446 /nfs/dbraw/zinc/97/34/46/1075973446.db2.gz UMVZGNPCDTVWOI-FPOVZHCZSA-N 1 1 414.550 1.472 20 10 HDCDMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1=O ZINC000733123870 1075978186 /nfs/dbraw/zinc/97/81/86/1075978186.db2.gz IUYHWCCQEHPIDY-AZUAARDMSA-N 1 1 414.550 1.677 20 10 HDCDMO COc1ccc(N2CC[NH+](CCNC(=O)N[C@@H](C)c3cn(C)nc3C)CC2)cc1 ZINC000727843584 1076269670 /nfs/dbraw/zinc/26/96/70/1076269670.db2.gz FJOCJCGKPUYTTG-INIZCTEOSA-N 1 1 400.527 1.920 20 10 HDCDMO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000730119282 1076464116 /nfs/dbraw/zinc/46/41/16/1076464116.db2.gz INLVDFVUTZRFRX-INIZCTEOSA-N 1 1 407.534 1.222 20 10 HDCDMO C[C@@H]1CN(c2ccc(CNC(=O)NC[C@H]3C[N@@H+](C)CCN3C)cc2F)C[C@H](C)O1 ZINC000732241332 1075677647 /nfs/dbraw/zinc/67/76/47/1075677647.db2.gz GNDUCSCKROMJET-JZXOWHBKSA-N 1 1 407.534 1.484 20 10 HDCDMO COC(=O)[C@H]1CCC[N@H+](CC(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)C1 ZINC000727435696 1076119270 /nfs/dbraw/zinc/11/92/70/1076119270.db2.gz XPCISQOXJZQOCY-JZXOWHBKSA-N 1 1 421.513 1.941 20 10 HDCDMO COC(=O)[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)C1 ZINC000727435696 1076119281 /nfs/dbraw/zinc/11/92/81/1076119281.db2.gz XPCISQOXJZQOCY-JZXOWHBKSA-N 1 1 421.513 1.941 20 10 HDCDMO CCC(=O)N1CSC[C@H]1C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000728023319 1076308503 /nfs/dbraw/zinc/30/85/03/1076308503.db2.gz KFXJWFHIYXJVAV-SFHVURJKSA-N 1 1 406.552 1.245 20 10 HDCDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000732450109 1075740872 /nfs/dbraw/zinc/74/08/72/1075740872.db2.gz NUPGFQQPKDEVKT-UYAOXDASSA-N 1 1 417.554 1.298 20 10 HDCDMO CC[N@@H+](CCNC(=O)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CC1 ZINC000804222985 1075775252 /nfs/dbraw/zinc/77/52/52/1075775252.db2.gz GORMPROOMKGEFP-HNNXBMFYSA-N 1 1 424.492 1.974 20 10 HDCDMO NC(=O)CC[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000727157626 1076070879 /nfs/dbraw/zinc/07/08/79/1076070879.db2.gz MGQHBFYUXVAPGD-INIZCTEOSA-N 1 1 406.502 1.256 20 10 HDCDMO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000730119792 1076463696 /nfs/dbraw/zinc/46/36/96/1076463696.db2.gz QDBOVSUQDBMRNJ-KURKYZTESA-N 1 1 421.561 1.874 20 10 HDCDMO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 ZINC000730593147 1076610650 /nfs/dbraw/zinc/61/06/50/1076610650.db2.gz LHSNKYZJKCAHPM-MRXNPFEDSA-N 1 1 410.540 1.006 20 10 HDCDMO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000785482860 1075315155 /nfs/dbraw/zinc/31/51/55/1075315155.db2.gz XKTALMNCVHUWFA-UHFFFAOYSA-N 1 1 424.545 1.826 20 10 HDCDMO COc1ccc(N2CCN(C(=O)C[N@H+]3CCCC[C@@H]3CN3CCOCC3)CC2)cc1 ZINC000731847893 1075531720 /nfs/dbraw/zinc/53/17/20/1075531720.db2.gz NKEPXSDKOQTJCS-OAQYLSRUSA-N 1 1 416.566 1.531 20 10 HDCDMO C[N@H+](CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O)Cc1ccccc1O ZINC000731843489 1075547364 /nfs/dbraw/zinc/54/73/64/1075547364.db2.gz KKGUFOJYPMQNMX-QFIPXVFZSA-N 1 1 410.474 1.799 20 10 HDCDMO C[N@@H+](CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O)Cc1ccccc1O ZINC000731843489 1075547366 /nfs/dbraw/zinc/54/73/66/1075547366.db2.gz KKGUFOJYPMQNMX-QFIPXVFZSA-N 1 1 410.474 1.799 20 10 HDCDMO CNC(=O)c1cncc(/C=C\C(=O)NCC[NH+]2CCN(c3ccc(OC)cc3)CC2)c1 ZINC000732064627 1075599922 /nfs/dbraw/zinc/59/99/22/1075599922.db2.gz WZRAPHSQVAGVIV-BAQGIRSFSA-N 1 1 423.517 1.401 20 10 HDCDMO CCOCC[NH+]1CCN(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC1 ZINC000732449145 1075740552 /nfs/dbraw/zinc/74/05/52/1075740552.db2.gz JBGYJBYKWWAFMB-LJQANCHMSA-N 1 1 417.554 1.252 20 10 HDCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O)cc2=O ZINC000732813950 1075875836 /nfs/dbraw/zinc/87/58/36/1075875836.db2.gz PXQRIDQTYLRWOF-GFCCVEGCSA-N 1 1 415.372 1.207 20 10 HDCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O)cc2=O ZINC000732813950 1075875839 /nfs/dbraw/zinc/87/58/39/1075875839.db2.gz PXQRIDQTYLRWOF-GFCCVEGCSA-N 1 1 415.372 1.207 20 10 HDCDMO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCc2ccc(N3CCOCC3)cc2)CC1=O ZINC000733139566 1075973465 /nfs/dbraw/zinc/97/34/65/1075973465.db2.gz UMVZGNPCDTVWOI-CTNGQTDRSA-N 1 1 414.550 1.472 20 10 HDCDMO COc1ccc(N2CC[NH+](CCCNS(=O)(=O)c3cn(C)c(C)n3)CC2)cc1 ZINC000727168005 1076067412 /nfs/dbraw/zinc/06/74/12/1076067412.db2.gz HANMNWDOIHVPQU-UHFFFAOYSA-N 1 1 407.540 1.228 20 10 HDCDMO COCCN(C(=O)C[N@H+](Cc1ccccc1O)C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000733614140 1076129729 /nfs/dbraw/zinc/12/97/29/1076129729.db2.gz ZHTJJUJPORDHBW-IBGZPJMESA-N 1 1 424.563 1.799 20 10 HDCDMO COCCN(C(=O)C[N@@H+](Cc1ccccc1O)C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000733614140 1076129733 /nfs/dbraw/zinc/12/97/33/1076129733.db2.gz ZHTJJUJPORDHBW-IBGZPJMESA-N 1 1 424.563 1.799 20 10 HDCDMO CCOC(=O)c1cnn2c1[nH]c(CN1CCC(C[NH+]3CCOCC3)CC1)cc2=O ZINC000727833121 1076264577 /nfs/dbraw/zinc/26/45/77/1076264577.db2.gz NDYDJSADORYYHG-UHFFFAOYSA-N 1 1 403.483 1.156 20 10 HDCDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CC1 ZINC000731761725 1075516720 /nfs/dbraw/zinc/51/67/20/1075516720.db2.gz AFXOZNKJNJCLRI-UHFFFAOYSA-N 1 1 401.555 1.979 20 10 HDCDMO Nc1c(C(=O)C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c(=O)[nH]c(=O)n1C1CC1 ZINC000731845388 1075529644 /nfs/dbraw/zinc/52/96/44/1075529644.db2.gz ZLWHQZPURGSMOQ-HNNXBMFYSA-N 1 1 414.462 1.436 20 10 HDCDMO Nc1c(C(=O)C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c(=O)[nH]c(=O)n1C1CC1 ZINC000731845388 1075529647 /nfs/dbraw/zinc/52/96/47/1075529647.db2.gz ZLWHQZPURGSMOQ-HNNXBMFYSA-N 1 1 414.462 1.436 20 10 HDCDMO COc1ccc(N2CCN(CCNC(=O)CCCC[NH+]3CCOCC3)CC2)cc1 ZINC000732064260 1075599928 /nfs/dbraw/zinc/59/99/28/1075599928.db2.gz DSTLUEQPKBTJOP-UHFFFAOYSA-N 1 1 404.555 1.436 20 10 HDCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCCC[C@H]1CN1CCCC1=O)cc2=O ZINC000732212726 1075668871 /nfs/dbraw/zinc/66/88/71/1075668871.db2.gz NPQLMJFZRVGBRC-HNNXBMFYSA-N 1 1 401.467 1.589 20 10 HDCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCCC[C@H]1CN1CCCC1=O)cc2=O ZINC000732212726 1075668874 /nfs/dbraw/zinc/66/88/74/1075668874.db2.gz NPQLMJFZRVGBRC-HNNXBMFYSA-N 1 1 401.467 1.589 20 10 HDCDMO CN(CCCNC(=O)C[N@H+](C)Cc1ccc(N2CCCCC2)cc1)S(C)(=O)=O ZINC000733026873 1075944882 /nfs/dbraw/zinc/94/48/82/1075944882.db2.gz VTWWPWSXIGCGLY-UHFFFAOYSA-N 1 1 410.584 1.506 20 10 HDCDMO CN(CCCNC(=O)C[N@@H+](C)Cc1ccc(N2CCCCC2)cc1)S(C)(=O)=O ZINC000733026873 1075944887 /nfs/dbraw/zinc/94/48/87/1075944887.db2.gz VTWWPWSXIGCGLY-UHFFFAOYSA-N 1 1 410.584 1.506 20 10 HDCDMO COc1ccc(N2CC[NH+](CCNC(=O)N[C@H]3CCc4nc(C)nn4C3)CC2)cc1 ZINC000727227097 1076084915 /nfs/dbraw/zinc/08/49/15/1076084915.db2.gz WIXKBZLFPDGZRS-KRWDZBQOSA-N 1 1 413.526 1.031 20 10 HDCDMO COCCN(C(=O)C[N@H+](Cc1ccccc1O)C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000733614141 1076129667 /nfs/dbraw/zinc/12/96/67/1076129667.db2.gz ZHTJJUJPORDHBW-LJQANCHMSA-N 1 1 424.563 1.799 20 10 HDCDMO COCCN(C(=O)C[N@@H+](Cc1ccccc1O)C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000733614141 1076129668 /nfs/dbraw/zinc/12/96/68/1076129668.db2.gz ZHTJJUJPORDHBW-LJQANCHMSA-N 1 1 424.563 1.799 20 10 HDCDMO COc1ccc(N2CC[NH+](CCNC(=O)NCCCc3nc(C)no3)CC2)cc1 ZINC000727477636 1076129751 /nfs/dbraw/zinc/12/97/51/1076129751.db2.gz QSHXXRQIDCNNTQ-UHFFFAOYSA-N 1 1 402.499 1.441 20 10 HDCDMO COc1ccc(N2CC[NH+](CCNC(=O)N[C@H](C)c3cn(C)nc3C)CC2)cc1 ZINC000727843588 1076269608 /nfs/dbraw/zinc/26/96/08/1076269608.db2.gz FJOCJCGKPUYTTG-MRXNPFEDSA-N 1 1 400.527 1.920 20 10 HDCDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CC1 ZINC000731762063 1075516374 /nfs/dbraw/zinc/51/63/74/1075516374.db2.gz ADAHKKLUBZTKBL-IBGZPJMESA-N 1 1 418.538 1.635 20 10 HDCDMO C[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1)Cc1ccccc1O ZINC000731842860 1075548692 /nfs/dbraw/zinc/54/86/92/1075548692.db2.gz LZJBGLKJVJUJTH-UHFFFAOYSA-N 1 1 421.494 1.496 20 10 HDCDMO CNC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)C1 ZINC000732207711 1075665030 /nfs/dbraw/zinc/66/50/30/1075665030.db2.gz JVEBIWTXIMYASQ-XYJFISCASA-N 1 1 420.529 1.514 20 10 HDCDMO C[N@@H+](CC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1)Cc1ccccc1O ZINC000732202904 1075674974 /nfs/dbraw/zinc/67/49/74/1075674974.db2.gz IRBLAUDGWVLLLA-UHFFFAOYSA-N 1 1 414.481 1.746 20 10 HDCDMO O=C(C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1)N1CCN(c2cnccn2)CC1 ZINC000732202192 1075675039 /nfs/dbraw/zinc/67/50/39/1075675039.db2.gz IQPFQDGWJCIODT-LJQANCHMSA-N 1 1 411.506 1.512 20 10 HDCDMO COc1ccc(N2CCN(C(=O)C[N@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)cc1 ZINC000732412598 1075738989 /nfs/dbraw/zinc/73/89/89/1075738989.db2.gz QRZYNVOTVJFSFP-LJQANCHMSA-N 1 1 414.550 1.678 20 10 HDCDMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1=O ZINC000733123873 1075978210 /nfs/dbraw/zinc/97/82/10/1075978210.db2.gz IUYHWCCQEHPIDY-UYAOXDASSA-N 1 1 414.550 1.677 20 10 HDCDMO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NCCCSc1nccs1 ZINC000733972573 1076278863 /nfs/dbraw/zinc/27/88/63/1076278863.db2.gz ISAJJWPVLQLUAB-OAHLLOKOSA-N 1 1 412.581 1.455 20 10 HDCDMO COc1ccc(N2CCN(CCNC(=O)N3CCC[N@H+](C(C)C)CC3)CC2)cc1 ZINC000727941131 1076291998 /nfs/dbraw/zinc/29/19/98/1076291998.db2.gz LFNTVYXOAQUORL-UHFFFAOYSA-N 1 1 403.571 1.943 20 10 HDCDMO COc1ccc(N2CC[NH+](CCNC(=O)NCCOC[C@H]3CCOC3)CC2)cc1 ZINC000731681383 1075463624 /nfs/dbraw/zinc/46/36/24/1075463624.db2.gz DBNACPKOZNMBON-SFHVURJKSA-N 1 1 406.527 1.170 20 10 HDCDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)NCc2ccc(N3CCSCC3)cc2)CC1 ZINC000731756057 1075512332 /nfs/dbraw/zinc/51/23/32/1075512332.db2.gz DHSWAXQUPUOPDB-UHFFFAOYSA-N 1 1 419.595 1.592 20 10 HDCDMO CCOC(=O)c1cnn2c1[nH]c(CN1CCN(C[C@H]3CCCC[N@H+]3C)CC1)cc2=O ZINC000731843827 1075529651 /nfs/dbraw/zinc/52/96/51/1075529651.db2.gz ZLAQLOOXDFUSDF-QGZVFWFLSA-N 1 1 416.526 1.214 20 10 HDCDMO COc1ccc(N2CCN(C(=O)C[N@H+]3CCCC[C@@H]3CN3CCCC3=O)CC2)cc1 ZINC000732210855 1075666740 /nfs/dbraw/zinc/66/67/40/1075666740.db2.gz MXUGPQMKKMSXLA-HXUWFJFHSA-N 1 1 414.550 1.821 20 10 HDCDMO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@H](N4CCCCC4=O)C3)CC2)cc1 ZINC000732812651 1075872764 /nfs/dbraw/zinc/87/27/64/1075872764.db2.gz PWCKWLPWFVSFQB-FQEVSTJZSA-N 1 1 414.550 1.821 20 10 HDCDMO COc1ccc(N2CCN(C(=O)C[N@H+]3CCC[C@H](N4CCCCC4=O)C3)CC2)cc1 ZINC000732812651 1075872766 /nfs/dbraw/zinc/87/27/66/1075872766.db2.gz PWCKWLPWFVSFQB-FQEVSTJZSA-N 1 1 414.550 1.821 20 10 HDCDMO COc1ccc(N2CC[NH+](CCCNS(=O)(=O)N(C)[C@H](C)C3CC3)CC2)cc1 ZINC000727444818 1076123553 /nfs/dbraw/zinc/12/35/53/1076123553.db2.gz JYMRMSONWSQCQC-QGZVFWFLSA-N 1 1 410.584 1.772 20 10 HDCDMO CCC(=O)N1CSC[C@@H]1C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000728023318 1076308583 /nfs/dbraw/zinc/30/85/83/1076308583.db2.gz KFXJWFHIYXJVAV-GOSISDBHSA-N 1 1 406.552 1.245 20 10 HDCDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000731756290 1075512228 /nfs/dbraw/zinc/51/22/28/1075512228.db2.gz ILFSIDSXVZKOPB-UHFFFAOYSA-N 1 1 421.517 1.014 20 10 HDCDMO COc1ccc(N2CCCN(C(=O)NC3CC[NH+](CC(=O)N(C)C)CC3)CC2)cc1 ZINC000731761793 1075516730 /nfs/dbraw/zinc/51/67/30/1075516730.db2.gz FSABOWLIBNXSJF-UHFFFAOYSA-N 1 1 417.554 1.470 20 10 HDCDMO CN(C)c1ccc(CN(C)C(=O)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000785483802 1075517511 /nfs/dbraw/zinc/51/75/11/1075517511.db2.gz PKPMRJFEFVFOJP-UHFFFAOYSA-N 1 1 424.545 1.860 20 10 HDCDMO CNC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)C1 ZINC000732207708 1075665021 /nfs/dbraw/zinc/66/50/21/1075665021.db2.gz JVEBIWTXIMYASQ-JFIYKMOQSA-N 1 1 420.529 1.514 20 10 HDCDMO CC[N@@H+](CCNC(=O)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CC1 ZINC000804222986 1075775183 /nfs/dbraw/zinc/77/51/83/1075775183.db2.gz GORMPROOMKGEFP-OAHLLOKOSA-N 1 1 424.492 1.974 20 10 HDCDMO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@@H](N4CCCCC4=O)C3)CC2)cc1 ZINC000732812654 1075873051 /nfs/dbraw/zinc/87/30/51/1075873051.db2.gz PWCKWLPWFVSFQB-HXUWFJFHSA-N 1 1 414.550 1.821 20 10 HDCDMO COc1ccc(N2CCN(C(=O)C[N@H+]3CCC[C@@H](N4CCCCC4=O)C3)CC2)cc1 ZINC000732812654 1075873055 /nfs/dbraw/zinc/87/30/55/1075873055.db2.gz PWCKWLPWFVSFQB-HXUWFJFHSA-N 1 1 414.550 1.821 20 10 HDCDMO C[C@H](NC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)c1ccc(N2CCOCC2)cc1 ZINC000731758488 1075513636 /nfs/dbraw/zinc/51/36/36/1075513636.db2.gz GGHTVDXQFKNESL-KRWDZBQOSA-N 1 1 417.554 1.436 20 10 HDCDMO 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CCOC(=O)c1cnn(C)c1NC(=O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000731844449 1075529340 /nfs/dbraw/zinc/52/93/40/1075529340.db2.gz IINLHYYQNFLZOC-INIZCTEOSA-N 1 1 416.478 1.922 20 10 HDCDMO CCOC(=O)c1cnn(C)c1NC(=O)C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000731844449 1075529343 /nfs/dbraw/zinc/52/93/43/1075529343.db2.gz IINLHYYQNFLZOC-INIZCTEOSA-N 1 1 416.478 1.922 20 10 HDCDMO CNS(=O)(=O)c1ccc(NCC[NH+]2CCN(c3ccc(OC)cc3)CC2)nc1 ZINC000731997909 1075588431 /nfs/dbraw/zinc/58/84/31/1075588431.db2.gz OSURIPDNJIPJOL-UHFFFAOYSA-N 1 1 405.524 1.232 20 10 HDCDMO O=C(C[N@@H+]1CCC[C@@H](N2CCCC2=O)C1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000732212170 1075668806 /nfs/dbraw/zinc/66/88/06/1075668806.db2.gz OPTNNTRIJJAZTG-GOSISDBHSA-N 1 1 418.513 1.365 20 10 HDCDMO O=C(C[N@H+]1CCC[C@@H](N2CCCC2=O)C1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000732212170 1075668812 /nfs/dbraw/zinc/66/88/12/1075668812.db2.gz OPTNNTRIJJAZTG-GOSISDBHSA-N 1 1 418.513 1.365 20 10 HDCDMO CNC(=O)[C@@H](NC(=O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)c1ccccc1 ZINC000732203365 1075675748 /nfs/dbraw/zinc/67/57/48/1075675748.db2.gz RDLILKLRNASYEK-UGKGYDQZSA-N 1 1 411.502 1.977 20 10 HDCDMO CNC(=O)[C@@H](NC(=O)C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1)c1ccccc1 ZINC000732203365 1075675751 /nfs/dbraw/zinc/67/57/51/1075675751.db2.gz RDLILKLRNASYEK-UGKGYDQZSA-N 1 1 411.502 1.977 20 10 HDCDMO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@H]([N@H+](C)Cc2cc(=O)[nH]c(N)n2)C1 ZINC000409610112 1075731700 /nfs/dbraw/zinc/73/17/00/1075731700.db2.gz ZCNLQTMCZGVQRV-INIZCTEOSA-N 1 1 423.521 1.980 20 10 HDCDMO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@H]([N@@H+](C)Cc2cc(=O)[nH]c(N)n2)C1 ZINC000409610112 1075731703 /nfs/dbraw/zinc/73/17/03/1075731703.db2.gz ZCNLQTMCZGVQRV-INIZCTEOSA-N 1 1 423.521 1.980 20 10 HDCDMO COCC[N@H+]1CCC[C@H]1CNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000732450967 1075741447 /nfs/dbraw/zinc/74/14/47/1075741447.db2.gz SYKSMAKNHVVJHY-KRWDZBQOSA-N 1 1 408.518 1.697 20 10 HDCDMO COc1ccc(N2CC[NH+](CCCNS(=O)(=O)N(C)[C@@H](C)C3CC3)CC2)cc1 ZINC000727444816 1076123739 /nfs/dbraw/zinc/12/37/39/1076123739.db2.gz JYMRMSONWSQCQC-KRWDZBQOSA-N 1 1 410.584 1.772 20 10 HDCDMO CCn1cc(S(=O)(=O)NCCC[NH+]2CCN(c3ccc(OC)cc3)CC2)cn1 ZINC000727444582 1076124147 /nfs/dbraw/zinc/12/41/47/1076124147.db2.gz JKKDCEXAVKQENA-UHFFFAOYSA-N 1 1 407.540 1.402 20 10 HDCDMO CCN1CCN(c2ccc(CNC(=O)NCC3([NH+](C)C)CCOCC3)cc2F)CC1 ZINC000733848474 1076218297 /nfs/dbraw/zinc/21/82/97/1076218297.db2.gz XHUVYMBXDMCNJE-UHFFFAOYSA-N 1 1 421.561 1.878 20 10 HDCDMO CCn1cc(CN(C)C(=O)NCC[NH+]2CCN(c3ccc(OC)cc3)CC2)cn1 ZINC000733849184 1076218668 /nfs/dbraw/zinc/21/86/68/1076218668.db2.gz VNDKFKCLOMDNHA-UHFFFAOYSA-N 1 1 400.527 1.875 20 10 HDCDMO CCN(CC1CC1)S(=O)(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000766025200 1073682045 /nfs/dbraw/zinc/68/20/45/1073682045.db2.gz NLVPSYWLXSFGBL-UHFFFAOYSA-N 1 1 410.584 1.774 20 10 HDCDMO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NCc1ccc(N2CCCC2)cc1 ZINC000732056699 1075595820 /nfs/dbraw/zinc/59/58/20/1075595820.db2.gz HCXAPLPIKVEIFH-NRFANRHFSA-N 1 1 414.550 1.616 20 10 HDCDMO O=C1N[C@@H](Cc2cnc[nH]2)C(=O)N1Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000804176824 1075608633 /nfs/dbraw/zinc/60/86/33/1075608633.db2.gz HLKODLJFAWTTCH-FQEVSTJZSA-N 1 1 408.506 1.605 20 10 HDCDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000732254107 1075687944 /nfs/dbraw/zinc/68/79/44/1075687944.db2.gz SYUYISPDAKFJIW-KRWDZBQOSA-N 1 1 411.497 1.802 20 10 HDCDMO CCC[N@@H+](C)CC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 ZINC000730279979 1076520800 /nfs/dbraw/zinc/52/08/00/1076520800.db2.gz VSUDGHVLAKNILU-UHFFFAOYSA-N 1 1 400.502 1.900 20 10 HDCDMO COc1ccc(N2CC[NH+](CCNC(=O)CNC(=O)OCC(F)(F)F)CC2)cc1 ZINC000732064602 1075599540 /nfs/dbraw/zinc/59/95/40/1075599540.db2.gz VWVODNHYTQYRTL-UHFFFAOYSA-N 1 1 418.416 1.222 20 10 HDCDMO CNC(=O)c1cncc(/C=C/C(=O)NCC[NH+]2CCN(c3ccc(OC)cc3)CC2)c1 ZINC000732064628 1075599964 /nfs/dbraw/zinc/59/99/64/1075599964.db2.gz WZRAPHSQVAGVIV-FPYGCLRLSA-N 1 1 423.517 1.401 20 10 HDCDMO Cn1cnc2c1c(=O)n(CCC[N@@H+](Cc1ccccc1O)C1CCCC1)c(=O)n2C ZINC000732204837 1075675768 /nfs/dbraw/zinc/67/57/68/1075675768.db2.gz FDFSABQFORXNPT-UHFFFAOYSA-N 1 1 411.506 1.974 20 10 HDCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1)cc2=O ZINC000732983762 1075937177 /nfs/dbraw/zinc/93/71/77/1075937177.db2.gz DMPWKYWMVBWGCY-CQSZACIVSA-N 1 1 417.510 1.986 20 10 HDCDMO COc1ccc(O)c(CNC(=O)C(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)c1 ZINC000734073009 1076301863 /nfs/dbraw/zinc/30/18/63/1076301863.db2.gz ZMNRXNJHNAEEAN-UHFFFAOYSA-N 1 1 412.490 1.798 20 10 HDCDMO CCCCn1c(N)c(N(CC)C(=O)C[N@@H+](C)Cc2ccccc2O)c(=O)[nH]c1=O ZINC000731843078 1075547945 /nfs/dbraw/zinc/54/79/45/1075547945.db2.gz TYESLJWHYXLZSE-UHFFFAOYSA-N 1 1 403.483 1.522 20 10 HDCDMO COc1ccc([C@@]2(C)NC(=O)N(NC(=O)C[N@H+](C)Cc3ccccc3O)C2=O)cc1 ZINC000731842798 1075548705 /nfs/dbraw/zinc/54/87/05/1075548705.db2.gz GCWFTZMVYAYQMF-OAQYLSRUSA-N 1 1 412.446 1.331 20 10 HDCDMO COc1ccc([C@@]2(C)NC(=O)N(NC(=O)C[N@@H+](C)Cc3ccccc3O)C2=O)cc1 ZINC000731842798 1075548710 /nfs/dbraw/zinc/54/87/10/1075548710.db2.gz GCWFTZMVYAYQMF-OAQYLSRUSA-N 1 1 412.446 1.331 20 10 HDCDMO CCN(CC)c1ccc(CNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 ZINC000731976333 1075581666 /nfs/dbraw/zinc/58/16/66/1075581666.db2.gz WHZWFPRWDHSZBR-NRFANRHFSA-N 1 1 416.566 1.862 20 10 HDCDMO O=C(C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)N1CCN(C(=O)C2CC2)CC1 ZINC000732202019 1075674343 /nfs/dbraw/zinc/67/43/43/1075674343.db2.gz DEUYDQTXAKUOOX-IBGZPJMESA-N 1 1 401.507 1.454 20 10 HDCDMO COCC[N@H+]1CCC[C@H]1CNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000732449326 1075740531 /nfs/dbraw/zinc/74/05/31/1075740531.db2.gz MFUFYTVBMMEMNK-NRFANRHFSA-N 1 1 404.555 1.805 20 10 HDCDMO NC(=O)CC[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000727157627 1076071009 /nfs/dbraw/zinc/07/10/09/1076071009.db2.gz MGQHBFYUXVAPGD-MRXNPFEDSA-N 1 1 406.502 1.256 20 10 HDCDMO C[C@H]([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000727318978 1076096227 /nfs/dbraw/zinc/09/62/27/1076096227.db2.gz LYHLBPYNKUBFSY-HNNXBMFYSA-N 1 1 404.536 1.709 20 10 HDCDMO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000730119794 1076463504 /nfs/dbraw/zinc/46/35/04/1076463504.db2.gz QDBOVSUQDBMRNJ-OKZBNKHCSA-N 1 1 421.561 1.874 20 10 HDCDMO COc1ccc(N2CC[NH+](CCCN3C(=O)N[C@@H](Cc4cnc[nH]4)C3=O)CC2)cc1 ZINC000804143792 1075541801 /nfs/dbraw/zinc/54/18/01/1075541801.db2.gz NKNMYRZXEWSCIX-IBGZPJMESA-N 1 1 412.494 1.094 20 10 HDCDMO C[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1)Cc1ccccc1O ZINC000731843123 1075547963 /nfs/dbraw/zinc/54/79/63/1075547963.db2.gz XNWVBMNRJOIZIC-UHFFFAOYSA-N 1 1 421.494 1.496 20 10 HDCDMO COc1ccc(N2CC[NH+](CCNC(=O)c3ccc(-n4cnnc4)cc3)CC2)cc1 ZINC000727375568 1076100611 /nfs/dbraw/zinc/10/06/11/1076100611.db2.gz GDVHMQSKCQGFNJ-UHFFFAOYSA-N 1 1 406.490 1.828 20 10 HDCDMO O=C(C[N@H+]1CCC[C@@H](C2OCCO2)C1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000728053505 1076320722 /nfs/dbraw/zinc/32/07/22/1076320722.db2.gz MSVDWNAOLAHMPH-QGZVFWFLSA-N 1 1 407.486 1.363 20 10 HDCDMO CCN1CCN(c2ccc(CNC(=O)NC3CC[NH+](CCOC)CC3)cc2F)CC1 ZINC000730124135 1076465272 /nfs/dbraw/zinc/46/52/72/1076465272.db2.gz VGUKSIKKYPSGHM-UHFFFAOYSA-N 1 1 421.561 1.878 20 10 HDCDMO CCCCN(C(=O)C[N@@H+](C)Cc1ccccc1O)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000731843430 1075547612 /nfs/dbraw/zinc/54/76/12/1075547612.db2.gz FYOXNPSWYQXXIW-UHFFFAOYSA-N 1 1 417.510 1.912 20 10 HDCDMO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@H]3[C@@H](O)C(F)(F)F)CC2)cc1 ZINC000731843279 1075547636 /nfs/dbraw/zinc/54/76/36/1075547636.db2.gz NZGAVKFPCYNYMO-FUHWJXTLSA-N 1 1 401.429 1.731 20 10 HDCDMO COc1ccc(N2CCN(C(=O)C[N@H+]3CCC[C@H]3[C@@H](O)C(F)(F)F)CC2)cc1 ZINC000731843279 1075547639 /nfs/dbraw/zinc/54/76/39/1075547639.db2.gz NZGAVKFPCYNYMO-FUHWJXTLSA-N 1 1 401.429 1.731 20 10 HDCDMO CN1CCCc2cc(CNC(=O)CC[NH+]3CCN(C(=O)[C@H]4CCCO4)CC3)ccc21 ZINC000731981268 1075582896 /nfs/dbraw/zinc/58/28/96/1075582896.db2.gz NNLREHSYCYDOFK-OAQYLSRUSA-N 1 1 414.550 1.399 20 10 HDCDMO CN(C)c1ccc(CNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)cc1F ZINC000731981709 1075582937 /nfs/dbraw/zinc/58/29/37/1075582937.db2.gz RYSKQRMDAHDCBS-LJQANCHMSA-N 1 1 406.502 1.221 20 10 HDCDMO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1=O ZINC000733123871 1075978247 /nfs/dbraw/zinc/97/82/47/1075978247.db2.gz IUYHWCCQEHPIDY-ICSRJNTNSA-N 1 1 414.550 1.677 20 10 HDCDMO O=C(C[N@H+]1CCC[C@H](C2OCCO2)C1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000728053504 1076320909 /nfs/dbraw/zinc/32/09/09/1076320909.db2.gz MSVDWNAOLAHMPH-KRWDZBQOSA-N 1 1 407.486 1.363 20 10 HDCDMO C[C@@H](NC(=O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)C(=O)N1CCCCC1 ZINC000731844389 1075529385 /nfs/dbraw/zinc/52/93/85/1075529385.db2.gz GEEPYCJQCLKZGM-MJGOQNOKSA-N 1 1 403.523 1.890 20 10 HDCDMO C[C@@H](NC(=O)C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1)C(=O)N1CCCCC1 ZINC000731844389 1075529388 /nfs/dbraw/zinc/52/93/88/1075529388.db2.gz GEEPYCJQCLKZGM-MJGOQNOKSA-N 1 1 403.523 1.890 20 10 HDCDMO CCOC(=O)c1cnn2c1[nH]c(CN1CCN(C[C@@H]3CCCC[N@H+]3C)CC1)cc2=O ZINC000731843826 1075529675 /nfs/dbraw/zinc/52/96/75/1075529675.db2.gz ZLAQLOOXDFUSDF-KRWDZBQOSA-N 1 1 416.526 1.214 20 10 HDCDMO O=C(C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)N1CCN(c2cnccn2)CC1 ZINC000732202190 1075674999 /nfs/dbraw/zinc/67/49/99/1075674999.db2.gz IQPFQDGWJCIODT-IBGZPJMESA-N 1 1 411.506 1.512 20 10 HDCDMO CNC(=O)[C@@H](NC(=O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1)c1ccccc1 ZINC000732203361 1075675780 /nfs/dbraw/zinc/67/57/80/1075675780.db2.gz RDLILKLRNASYEK-KNQAVFIVSA-N 1 1 411.502 1.977 20 10 HDCDMO CNC(=O)[C@@H](NC(=O)C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1)c1ccccc1 ZINC000732203361 1075675783 /nfs/dbraw/zinc/67/57/83/1075675783.db2.gz RDLILKLRNASYEK-KNQAVFIVSA-N 1 1 411.502 1.977 20 10 HDCDMO CC[N@H+]1CCCC[C@H]1CNC(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000732242977 1075677984 /nfs/dbraw/zinc/67/79/84/1075677984.db2.gz IZUZNCJZSDZCPK-FQEVSTJZSA-N 1 1 403.571 1.991 20 10 HDCDMO C[NH+]1CCN(CC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CC1 ZINC000732272789 1075686142 /nfs/dbraw/zinc/68/61/42/1075686142.db2.gz BMJKJBMEEOOOQB-UHFFFAOYSA-N 1 1 400.445 1.406 20 10 HDCDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000732455441 1075748431 /nfs/dbraw/zinc/74/84/31/1075748431.db2.gz LSSMDLZQSMDSCG-HXUWFJFHSA-N 1 1 419.570 1.227 20 10 HDCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@@H](N3CCCCC3=O)C1)cc2=O ZINC000732812224 1075873424 /nfs/dbraw/zinc/87/34/24/1075873424.db2.gz LQQPUOHOKFFSJW-OAHLLOKOSA-N 1 1 401.467 1.589 20 10 HDCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC[C@@H](N3CCCCC3=O)C1)cc2=O ZINC000732812224 1075873426 /nfs/dbraw/zinc/87/34/26/1075873426.db2.gz LQQPUOHOKFFSJW-OAHLLOKOSA-N 1 1 401.467 1.589 20 10 HDCDMO COc1ccc(N2CC[NH+](CCNC(=O)NC[C@@H](OC)C(F)(F)F)CC2)cc1 ZINC000733346628 1076043210 /nfs/dbraw/zinc/04/32/10/1076043210.db2.gz YBHIISIHAKNWOX-MRXNPFEDSA-N 1 1 404.433 1.694 20 10 HDCDMO COc1ccc(N2CC[NH+](CCNC(=O)N[C@@H]3CCc4nc(C)nn4C3)CC2)cc1 ZINC000727227099 1076085043 /nfs/dbraw/zinc/08/50/43/1076085043.db2.gz WIXKBZLFPDGZRS-QGZVFWFLSA-N 1 1 413.526 1.031 20 10 HDCDMO C[C@@H]([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000727318979 1076096299 /nfs/dbraw/zinc/09/62/99/1076096299.db2.gz LYHLBPYNKUBFSY-OAHLLOKOSA-N 1 1 404.536 1.709 20 10 HDCDMO CNS(=O)(=O)c1ccccc1N1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000727824515 1076268177 /nfs/dbraw/zinc/26/81/77/1076268177.db2.gz ADLQTKPFXQKRMW-UHFFFAOYSA-N 1 1 405.476 1.351 20 10 HDCDMO COc1ccc(N2CC[NH+](CCNC(=O)N[C@H](C)c3nnc4n3CCC4)CC2)cc1 ZINC000730935452 1076696025 /nfs/dbraw/zinc/69/60/25/1076696025.db2.gz CMOMYBAXSFTOEA-MRXNPFEDSA-N 1 1 413.526 1.415 20 10 HDCDMO C[N@H+]1CCC[C@H]2CN(CC(=O)NCc3ccc(N4CCOCC4)c(F)c3)CC[C@@H]21 ZINC000766122609 1075127054 /nfs/dbraw/zinc/12/70/54/1075127054.db2.gz KYCVWWZQGOPMCY-ICSRJNTNSA-N 1 1 404.530 1.695 20 10 HDCDMO COc1ccc(N2CCN(C(=O)C[N@H+]3CCCC[C@H]3CN3CCCC3=O)CC2)cc1 ZINC000732210853 1075666815 /nfs/dbraw/zinc/66/68/15/1075666815.db2.gz MXUGPQMKKMSXLA-FQEVSTJZSA-N 1 1 414.550 1.821 20 10 HDCDMO O=C(C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1)N1CCN(C(=O)C2CC2)CC1 ZINC000732202020 1075674693 /nfs/dbraw/zinc/67/46/93/1075674693.db2.gz DEUYDQTXAKUOOX-LJQANCHMSA-N 1 1 401.507 1.454 20 10 HDCDMO CCOCC[NH+]1CCN(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC1 ZINC000732449144 1075740526 /nfs/dbraw/zinc/74/05/26/1075740526.db2.gz JBGYJBYKWWAFMB-IBGZPJMESA-N 1 1 417.554 1.252 20 10 HDCDMO C[C@@H]1CN(c2ccc(CNC(=O)C[N@H+](C)CCN3CCOCC3)cc2F)C[C@H](C)O1 ZINC000732871739 1075902162 /nfs/dbraw/zinc/90/21/62/1075902162.db2.gz MMMYSNVEIWELKV-HDICACEKSA-N 1 1 422.545 1.320 20 10 HDCDMO C[C@@H]1CN(c2ccc(CNC(=O)C[N@@H+](C)CCN3CCOCC3)cc2F)C[C@H](C)O1 ZINC000732871739 1075902165 /nfs/dbraw/zinc/90/21/65/1075902165.db2.gz MMMYSNVEIWELKV-HDICACEKSA-N 1 1 422.545 1.320 20 10 HDCDMO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1=O ZINC000733123872 1075978264 /nfs/dbraw/zinc/97/82/64/1075978264.db2.gz IUYHWCCQEHPIDY-QUCCMNQESA-N 1 1 414.550 1.677 20 10 HDCDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000732062848 1075598933 /nfs/dbraw/zinc/59/89/33/1075598933.db2.gz OIDDFPMIGHVFFA-OAQYLSRUSA-N 1 1 416.566 1.814 20 10 HDCDMO C[C@H]1CN(c2ccc(CNC(=O)C[N@H+](C)CCn3cccn3)cc2F)C[C@H](C)O1 ZINC000732209799 1075666427 /nfs/dbraw/zinc/66/64/27/1075666427.db2.gz SRIMTAMZEZQKBC-IRXDYDNUSA-N 1 1 403.502 1.884 20 10 HDCDMO C[C@H]1CN(c2ccc(CNC(=O)C[N@@H+](C)CCn3cccn3)cc2F)C[C@H](C)O1 ZINC000732209799 1075666430 /nfs/dbraw/zinc/66/64/30/1075666430.db2.gz SRIMTAMZEZQKBC-IRXDYDNUSA-N 1 1 403.502 1.884 20 10 HDCDMO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@H](N4CCCC4=O)C3)CC2)cc1 ZINC000732213187 1075669469 /nfs/dbraw/zinc/66/94/69/1075669469.db2.gz YTORGRCJJVZBQR-IBGZPJMESA-N 1 1 400.523 1.431 20 10 HDCDMO COc1ccc(N2CCN(C(=O)C[N@H+]3CCC[C@H](N4CCCC4=O)C3)CC2)cc1 ZINC000732213187 1075669471 /nfs/dbraw/zinc/66/94/71/1075669471.db2.gz YTORGRCJJVZBQR-IBGZPJMESA-N 1 1 400.523 1.431 20 10 HDCDMO CNC(=O)[C@H](NC(=O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)c1ccccc1 ZINC000732203363 1075675688 /nfs/dbraw/zinc/67/56/88/1075675688.db2.gz RDLILKLRNASYEK-SIKLNZKXSA-N 1 1 411.502 1.977 20 10 HDCDMO CNC(=O)[C@H](NC(=O)C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1)c1ccccc1 ZINC000732203363 1075675690 /nfs/dbraw/zinc/67/56/90/1075675690.db2.gz RDLILKLRNASYEK-SIKLNZKXSA-N 1 1 411.502 1.977 20 10 HDCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@H](N3CCCCC3=O)C1)cc2=O ZINC000732812223 1075873432 /nfs/dbraw/zinc/87/34/32/1075873432.db2.gz LQQPUOHOKFFSJW-HNNXBMFYSA-N 1 1 401.467 1.589 20 10 HDCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC[C@H](N3CCCCC3=O)C1)cc2=O ZINC000732812223 1075873435 /nfs/dbraw/zinc/87/34/35/1075873435.db2.gz LQQPUOHOKFFSJW-HNNXBMFYSA-N 1 1 401.467 1.589 20 10 HDCDMO C[C@@H](NC(=O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1)C(=O)N1CCCCC1 ZINC000731844387 1075529370 /nfs/dbraw/zinc/52/93/70/1075529370.db2.gz GEEPYCJQCLKZGM-IEBWSBKVSA-N 1 1 403.523 1.890 20 10 HDCDMO C[C@@H](NC(=O)C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1)C(=O)N1CCCCC1 ZINC000731844387 1075529373 /nfs/dbraw/zinc/52/93/73/1075529373.db2.gz GEEPYCJQCLKZGM-IEBWSBKVSA-N 1 1 403.523 1.890 20 10 HDCDMO COc1cccc([C@@]2(C)NC(=O)N(NC(=O)C[N@H+](C)Cc3ccccc3O)C2=O)c1 ZINC000731843030 1075547992 /nfs/dbraw/zinc/54/79/92/1075547992.db2.gz NZHNQPNBYHTBPH-OAQYLSRUSA-N 1 1 412.446 1.331 20 10 HDCDMO COc1cccc([C@@]2(C)NC(=O)N(NC(=O)C[N@@H+](C)Cc3ccccc3O)C2=O)c1 ZINC000731843030 1075547998 /nfs/dbraw/zinc/54/79/98/1075547998.db2.gz NZHNQPNBYHTBPH-OAQYLSRUSA-N 1 1 412.446 1.331 20 10 HDCDMO CN1CCCc2cc(CNC(=O)CC[NH+]3CCN(C(=O)[C@@H]4CCCO4)CC3)ccc21 ZINC000731981265 1075582981 /nfs/dbraw/zinc/58/29/81/1075582981.db2.gz NNLREHSYCYDOFK-NRFANRHFSA-N 1 1 414.550 1.399 20 10 HDCDMO CNC(=O)[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)C1 ZINC000732207709 1075665150 /nfs/dbraw/zinc/66/51/50/1075665150.db2.gz JVEBIWTXIMYASQ-JZXOWHBKSA-N 1 1 420.529 1.514 20 10 HDCDMO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@@H](N4CCCC4=O)C3)CC2)cc1 ZINC000732213189 1075669506 /nfs/dbraw/zinc/66/95/06/1075669506.db2.gz YTORGRCJJVZBQR-LJQANCHMSA-N 1 1 400.523 1.431 20 10 HDCDMO COc1ccc(N2CCN(C(=O)C[N@H+]3CCC[C@@H](N4CCCC4=O)C3)CC2)cc1 ZINC000732213189 1075669507 /nfs/dbraw/zinc/66/95/07/1075669507.db2.gz YTORGRCJJVZBQR-LJQANCHMSA-N 1 1 400.523 1.431 20 10 HDCDMO C[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)Cc1ccccc1O ZINC000732203205 1075675811 /nfs/dbraw/zinc/67/58/11/1075675811.db2.gz PQWHRYJNZOOSMF-UHFFFAOYSA-N 1 1 403.504 1.357 20 10 HDCDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000732450969 1075741472 /nfs/dbraw/zinc/74/14/72/1075741472.db2.gz SYKSMAKNHVVJHY-QGZVFWFLSA-N 1 1 408.518 1.697 20 10 HDCDMO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NCCCSc1nccs1 ZINC000733972570 1076278933 /nfs/dbraw/zinc/27/89/33/1076278933.db2.gz ISAJJWPVLQLUAB-HNNXBMFYSA-N 1 1 412.581 1.455 20 10 HDCDMO COc1ccc(N2CC[NH+](CCNC(=O)CN3Cc4ccccc4C3=O)CC2)cc1 ZINC000729968691 1076399527 /nfs/dbraw/zinc/39/95/27/1076399527.db2.gz YJRPKWBZHVTLNH-UHFFFAOYSA-N 1 1 408.502 1.589 20 10 HDCDMO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000730118997 1076463615 /nfs/dbraw/zinc/46/36/15/1076463615.db2.gz DSYLIHSDMCZBDP-GOSISDBHSA-N 1 1 403.571 1.330 20 10 HDCDMO C[C@@H](NC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)c1ccc(N2CCOCC2)cc1 ZINC000731758489 1075513236 /nfs/dbraw/zinc/51/32/36/1075513236.db2.gz GGHTVDXQFKNESL-QGZVFWFLSA-N 1 1 417.554 1.436 20 10 HDCDMO CCOC(=O)c1cnn(C)c1NC(=O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000731844450 1075529358 /nfs/dbraw/zinc/52/93/58/1075529358.db2.gz IINLHYYQNFLZOC-MRXNPFEDSA-N 1 1 416.478 1.922 20 10 HDCDMO CCOC(=O)c1cnn(C)c1NC(=O)C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000731844450 1075529362 /nfs/dbraw/zinc/52/93/62/1075529362.db2.gz IINLHYYQNFLZOC-MRXNPFEDSA-N 1 1 416.478 1.922 20 10 HDCDMO Cc1cc(C(=O)C[N@H+](CCO)CC2CC2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000731846197 1075530258 /nfs/dbraw/zinc/53/02/58/1075530258.db2.gz CAISQWPIXXBFOD-UHFFFAOYSA-N 1 1 405.520 1.629 20 10 HDCDMO Cc1cc(C(=O)C[N@@H+](CCO)CC2CC2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000731846197 1075530260 /nfs/dbraw/zinc/53/02/60/1075530260.db2.gz CAISQWPIXXBFOD-UHFFFAOYSA-N 1 1 405.520 1.629 20 10 HDCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCCC[C@H]1CN1CCOCC1)cc2=O ZINC000731849013 1075532232 /nfs/dbraw/zinc/53/22/32/1075532232.db2.gz ZXCUFEIXJFBOKM-INIZCTEOSA-N 1 1 403.483 1.298 20 10 HDCDMO C[N@H+](CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O)Cc1ccccc1O ZINC000731843488 1075547306 /nfs/dbraw/zinc/54/73/06/1075547306.db2.gz KKGUFOJYPMQNMX-JOCHJYFZSA-N 1 1 410.474 1.799 20 10 HDCDMO C[N@@H+](CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O)Cc1ccccc1O ZINC000731843488 1075547311 /nfs/dbraw/zinc/54/73/11/1075547311.db2.gz KKGUFOJYPMQNMX-JOCHJYFZSA-N 1 1 410.474 1.799 20 10 HDCDMO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@@H]3[C@@H](O)C(F)(F)F)CC2)cc1 ZINC000731843280 1075547768 /nfs/dbraw/zinc/54/77/68/1075547768.db2.gz NZGAVKFPCYNYMO-SJLPKXTDSA-N 1 1 401.429 1.731 20 10 HDCDMO COc1ccc(N2CCN(C(=O)C[N@H+]3CCC[C@@H]3[C@@H](O)C(F)(F)F)CC2)cc1 ZINC000731843280 1075547771 /nfs/dbraw/zinc/54/77/71/1075547771.db2.gz NZGAVKFPCYNYMO-SJLPKXTDSA-N 1 1 401.429 1.731 20 10 HDCDMO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@@H]([N@H+](C)Cc2cc(=O)[nH]c(N)n2)C1 ZINC000409610113 1075731662 /nfs/dbraw/zinc/73/16/62/1075731662.db2.gz ZCNLQTMCZGVQRV-MRXNPFEDSA-N 1 1 423.521 1.980 20 10 HDCDMO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(=O)[nH]c(N)n2)C1 ZINC000409610113 1075731665 /nfs/dbraw/zinc/73/16/65/1075731665.db2.gz ZCNLQTMCZGVQRV-MRXNPFEDSA-N 1 1 423.521 1.980 20 10 HDCDMO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000727242230 1076088778 /nfs/dbraw/zinc/08/87/78/1076088778.db2.gz JMIOEFDZAFUVAI-HNNXBMFYSA-N 1 1 404.536 1.709 20 10 HDCDMO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000727242230 1076088787 /nfs/dbraw/zinc/08/87/87/1076088787.db2.gz JMIOEFDZAFUVAI-HNNXBMFYSA-N 1 1 404.536 1.709 20 10 HDCDMO COc1ccc(N2CC[NH+](CCNC(=O)NCCOC[C@@H]3CCOC3)CC2)cc1 ZINC000731681382 1075463729 /nfs/dbraw/zinc/46/37/29/1075463729.db2.gz DBNACPKOZNMBON-GOSISDBHSA-N 1 1 406.527 1.170 20 10 HDCDMO COc1ccc(N2CCN(C(=O)C[N@H+]3CCCC[C@H]3CN3CCOCC3)CC2)cc1 ZINC000731847892 1075531797 /nfs/dbraw/zinc/53/17/97/1075531797.db2.gz NKEPXSDKOQTJCS-NRFANRHFSA-N 1 1 416.566 1.531 20 10 HDCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCCC[C@@H]1CN1CCCC1=O)cc2=O ZINC000732212728 1075668947 /nfs/dbraw/zinc/66/89/47/1075668947.db2.gz NPQLMJFZRVGBRC-OAHLLOKOSA-N 1 1 401.467 1.589 20 10 HDCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCCC[C@@H]1CN1CCCC1=O)cc2=O ZINC000732212728 1075668951 /nfs/dbraw/zinc/66/89/51/1075668951.db2.gz NPQLMJFZRVGBRC-OAHLLOKOSA-N 1 1 401.467 1.589 20 10 HDCDMO COc1ccc(N2CC[NH+](CCNC(=O)Nc3ccc(C(N)=O)c(F)c3)CC2)cc1 ZINC000732432710 1075743917 /nfs/dbraw/zinc/74/39/17/1075743917.db2.gz OPQFSDGOEHGZKO-UHFFFAOYSA-N 1 1 415.469 1.877 20 10 HDCDMO C[C@H]1CN(c2ccc(CNC(=O)C[N@H+](C)CCN3CCOCC3)cc2F)C[C@H](C)O1 ZINC000732871745 1075902118 /nfs/dbraw/zinc/90/21/18/1075902118.db2.gz MMMYSNVEIWELKV-ROUUACIJSA-N 1 1 422.545 1.320 20 10 HDCDMO C[C@H]1CN(c2ccc(CNC(=O)C[N@@H+](C)CCN3CCOCC3)cc2F)C[C@H](C)O1 ZINC000732871745 1075902120 /nfs/dbraw/zinc/90/21/20/1075902120.db2.gz MMMYSNVEIWELKV-ROUUACIJSA-N 1 1 422.545 1.320 20 10 HDCDMO COCC[N@@H+](C)CCNC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000727034475 1076029805 /nfs/dbraw/zinc/02/98/05/1076029805.db2.gz SNAHLOHVEJIBDH-UHFFFAOYSA-N 1 1 418.460 1.919 20 10 HDCDMO COc1ccc(N2CC[NH+](CCNC(=O)N[C@@H](C)c3nnc4n3CCC4)CC2)cc1 ZINC000730935232 1076695984 /nfs/dbraw/zinc/69/59/84/1076695984.db2.gz CMOMYBAXSFTOEA-INIZCTEOSA-N 1 1 413.526 1.415 20 10 HDCDMO C[N@H+]1CCC[C@H]2CN(CC(=O)NCc3ccc(N4CCOCC4)c(F)c3)CC[C@H]21 ZINC000766122605 1075127149 /nfs/dbraw/zinc/12/71/49/1075127149.db2.gz KYCVWWZQGOPMCY-AZUAARDMSA-N 1 1 404.530 1.695 20 10 HDCDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000731762124 1075516433 /nfs/dbraw/zinc/51/64/33/1075516433.db2.gz DMSBVGBSCVECNS-UHFFFAOYSA-N 1 1 417.554 1.217 20 10 HDCDMO COc1ccc(N2CC[NH+](CCN3C(=O)N[C@H](CCOC(C)(C)C)C3=O)CC2)cc1 ZINC000804150785 1075552400 /nfs/dbraw/zinc/55/24/00/1075552400.db2.gz MMBWUUSLVLSVAC-LJQANCHMSA-N 1 1 418.538 1.943 20 10 HDCDMO CN(C)c1ccc(CNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1F ZINC000731981707 1075583029 /nfs/dbraw/zinc/58/30/29/1075583029.db2.gz RYSKQRMDAHDCBS-IBGZPJMESA-N 1 1 406.502 1.221 20 10 HDCDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000732062845 1075598946 /nfs/dbraw/zinc/59/89/46/1075598946.db2.gz OIDDFPMIGHVFFA-NRFANRHFSA-N 1 1 416.566 1.814 20 10 HDCDMO CNC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)C1 ZINC000732207710 1075665098 /nfs/dbraw/zinc/66/50/98/1075665098.db2.gz JVEBIWTXIMYASQ-SOLBZPMBSA-N 1 1 420.529 1.514 20 10 HDCDMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCc2ccc(N3CCOCC3)cc2)CC1=O ZINC000733139570 1075973381 /nfs/dbraw/zinc/97/33/81/1075973381.db2.gz UMVZGNPCDTVWOI-PZJWPPBQSA-N 1 1 414.550 1.472 20 10 HDCDMO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000727242231 1076088675 /nfs/dbraw/zinc/08/86/75/1076088675.db2.gz JMIOEFDZAFUVAI-OAHLLOKOSA-N 1 1 404.536 1.709 20 10 HDCDMO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000727242231 1076088681 /nfs/dbraw/zinc/08/86/81/1076088681.db2.gz JMIOEFDZAFUVAI-OAHLLOKOSA-N 1 1 404.536 1.709 20 10 HDCDMO CC(C)(O)C[NH+]1CCN(CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CC1 ZINC000728054635 1076321575 /nfs/dbraw/zinc/32/15/75/1076321575.db2.gz WVVCBDBEXLRNQT-UHFFFAOYSA-N 1 1 421.497 1.789 20 10 HDCDMO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000730119284 1076463995 /nfs/dbraw/zinc/46/39/95/1076463995.db2.gz INLVDFVUTZRFRX-MRXNPFEDSA-N 1 1 407.534 1.222 20 10 HDCDMO COc1ccc(N2CCN(C(=O)C[N@@H+]3CC[C@H](NC(=O)OC(C)(C)C)C3)CC2)cc1 ZINC000730263671 1076504906 /nfs/dbraw/zinc/50/49/06/1076504906.db2.gz IOGQYDGEIBDQOJ-KRWDZBQOSA-N 1 1 418.538 1.943 20 10 HDCDMO COc1ccc(N2CCN(C(=O)C[N@H+]3CC[C@H](NC(=O)OC(C)(C)C)C3)CC2)cc1 ZINC000730263671 1076504909 /nfs/dbraw/zinc/50/49/09/1076504909.db2.gz IOGQYDGEIBDQOJ-KRWDZBQOSA-N 1 1 418.538 1.943 20 10 HDCDMO COc1ccc(N2CCC(NC(=O)NC3CC[NH+](CC(=O)N(C)C)CC3)CC2)cc1 ZINC000731759263 1075514211 /nfs/dbraw/zinc/51/42/11/1075514211.db2.gz PKVXFYAKVAKEAK-UHFFFAOYSA-N 1 1 417.554 1.516 20 10 HDCDMO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@@H]3[C@H](O)C(F)(F)F)CC2)cc1 ZINC000731843278 1075547792 /nfs/dbraw/zinc/54/77/92/1075547792.db2.gz NZGAVKFPCYNYMO-AEFFLSMTSA-N 1 1 401.429 1.731 20 10 HDCDMO COc1ccc(N2CCN(C(=O)C[N@H+]3CCC[C@@H]3[C@H](O)C(F)(F)F)CC2)cc1 ZINC000731843278 1075547795 /nfs/dbraw/zinc/54/77/95/1075547795.db2.gz NZGAVKFPCYNYMO-AEFFLSMTSA-N 1 1 401.429 1.731 20 10 HDCDMO C[N@H+](CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)Cc1ccccc1O ZINC000731842786 1075548657 /nfs/dbraw/zinc/54/86/57/1075548657.db2.gz CNMZUZNKHDJHQH-UHFFFAOYSA-N 1 1 416.503 1.933 20 10 HDCDMO C[N@@H+](CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)Cc1ccccc1O ZINC000731842786 1075548658 /nfs/dbraw/zinc/54/86/58/1075548658.db2.gz CNMZUZNKHDJHQH-UHFFFAOYSA-N 1 1 416.503 1.933 20 10 HDCDMO CCN(CC)c1ccc(CNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 ZINC000731976334 1075581623 /nfs/dbraw/zinc/58/16/23/1075581623.db2.gz WHZWFPRWDHSZBR-OAQYLSRUSA-N 1 1 416.566 1.862 20 10 HDCDMO COc1ccc(N2CCN(CCNC(=O)N(C)[C@@H]3CC[N@H+](C4CC4)C3)CC2)cc1 ZINC000732456582 1075748831 /nfs/dbraw/zinc/74/88/31/1075748831.db2.gz YCCAURIONGSPDY-HXUWFJFHSA-N 1 1 401.555 1.695 20 10 HDCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1)cc2=O ZINC000732983761 1075937134 /nfs/dbraw/zinc/93/71/34/1075937134.db2.gz DMPWKYWMVBWGCY-AWEZNQCLSA-N 1 1 417.510 1.986 20 10 HDCDMO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000730119793 1076463457 /nfs/dbraw/zinc/46/34/57/1076463457.db2.gz QDBOVSUQDBMRNJ-KZNAEPCWSA-N 1 1 421.561 1.874 20 10 HDCDMO COC(=O)C1CCC(NC(=O)NCC[NH+]2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000730123909 1076464875 /nfs/dbraw/zinc/46/48/75/1076464875.db2.gz YWDLXYSFSNKQCS-UHFFFAOYSA-N 1 1 418.538 1.848 20 10 HDCDMO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 ZINC000730593146 1076610827 /nfs/dbraw/zinc/61/08/27/1076610827.db2.gz LHSNKYZJKCAHPM-INIZCTEOSA-N 1 1 410.540 1.006 20 10 HDCDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CC1 ZINC000731762064 1075516364 /nfs/dbraw/zinc/51/63/64/1075516364.db2.gz ADAHKKLUBZTKBL-LJQANCHMSA-N 1 1 418.538 1.635 20 10 HDCDMO C[C@H](NC(=O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1)C(=O)N1CCCCC1 ZINC000731844391 1075529311 /nfs/dbraw/zinc/52/93/11/1075529311.db2.gz GEEPYCJQCLKZGM-PKOBYXMFSA-N 1 1 403.523 1.890 20 10 HDCDMO C[C@H](NC(=O)C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1)C(=O)N1CCCCC1 ZINC000731844391 1075529314 /nfs/dbraw/zinc/52/93/14/1075529314.db2.gz GEEPYCJQCLKZGM-PKOBYXMFSA-N 1 1 403.523 1.890 20 10 HDCDMO COc1ccc([C@]2(C)NC(=O)N(NC(=O)C[N@H+](C)Cc3ccccc3O)C2=O)cc1 ZINC000731842797 1075548479 /nfs/dbraw/zinc/54/84/79/1075548479.db2.gz GCWFTZMVYAYQMF-NRFANRHFSA-N 1 1 412.446 1.331 20 10 HDCDMO COc1ccc([C@]2(C)NC(=O)N(NC(=O)C[N@@H+](C)Cc3ccccc3O)C2=O)cc1 ZINC000731842797 1075548482 /nfs/dbraw/zinc/54/84/82/1075548482.db2.gz GCWFTZMVYAYQMF-NRFANRHFSA-N 1 1 412.446 1.331 20 10 HDCDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000732450102 1075740910 /nfs/dbraw/zinc/74/09/10/1075740910.db2.gz NUPGFQQPKDEVKT-AZUAARDMSA-N 1 1 417.554 1.298 20 10 HDCDMO COCC[N@H+]1CCC[C@H]1CNC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000732450105 1075740929 /nfs/dbraw/zinc/74/09/29/1075740929.db2.gz NUPGFQQPKDEVKT-ICSRJNTNSA-N 1 1 417.554 1.298 20 10 HDCDMO COCC[N@H+]1CCC[C@H]1CNC(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000732455440 1075742827 /nfs/dbraw/zinc/74/28/27/1075742827.db2.gz LSSMDLZQSMDSCG-FQEVSTJZSA-N 1 1 419.570 1.227 20 10 HDCDMO CCN1CCN(c2ccc(CNC(=O)C(=O)NCC[N@H+](CC)C3CC3)cc2F)CC1 ZINC000804224202 1075775201 /nfs/dbraw/zinc/77/52/01/1075775201.db2.gz NKDCNBXBMCFNOD-UHFFFAOYSA-N 1 1 419.545 1.184 20 10 HDCDMO CCN1CCN(c2ccc(CNC(=O)C(=O)NCC[N@@H+](CC)C3CC3)cc2F)CC1 ZINC000804224202 1075775206 /nfs/dbraw/zinc/77/52/06/1075775206.db2.gz NKDCNBXBMCFNOD-UHFFFAOYSA-N 1 1 419.545 1.184 20 10 HDCDMO COc1ccc(N2CC[NH+](CCNC(=O)CNC(=O)c3ccc(F)cc3)CC2)cc1 ZINC000732924141 1075915032 /nfs/dbraw/zinc/91/50/32/1075915032.db2.gz ONVRSJDDOATAAE-UHFFFAOYSA-N 1 1 414.481 1.503 20 10 HDCDMO COc1ccc(-n2nnnc2C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@H]2C)cc1 ZINC001082652421 1076061699 /nfs/dbraw/zinc/06/16/99/1076061699.db2.gz YFHGLUKOIKKSIM-IBMDXXAESA-N 1 1 424.505 1.031 20 10 HDCDMO CCCC(=O)N1CSC[C@@H]1C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000727376252 1076100642 /nfs/dbraw/zinc/10/06/42/1076100642.db2.gz VNEBIIJFTNEFKK-LJQANCHMSA-N 1 1 420.579 1.635 20 10 HDCDMO O=C(C[N@@H+](Cc1ccccc1O)C1CCCC1)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000733613559 1076129083 /nfs/dbraw/zinc/12/90/83/1076129083.db2.gz BVXSFCICVPDTCW-HNNXBMFYSA-N 1 1 409.508 1.150 20 10 HDCDMO O=C(C[N@H+](Cc1ccccc1O)C1CCCC1)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000733613559 1076129087 /nfs/dbraw/zinc/12/90/87/1076129087.db2.gz BVXSFCICVPDTCW-HNNXBMFYSA-N 1 1 409.508 1.150 20 10 HDCDMO COc1ccc(N2CC[NH+](CCNC(=O)Nc3cccnc3-n3cncn3)CC2)cc1 ZINC000731278836 1075302027 /nfs/dbraw/zinc/30/20/27/1075302027.db2.gz VUGSAXMFSFAZJF-UHFFFAOYSA-N 1 1 422.493 1.615 20 10 HDCDMO COCC[N@@H+](C)CCNC(=O)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000804083555 1075357969 /nfs/dbraw/zinc/35/79/69/1075357969.db2.gz BRGAQAVKMNVVFK-MRXNPFEDSA-N 1 1 424.973 1.887 20 10 HDCDMO C[C@H](NC(=O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)C(=O)N1CCCCC1 ZINC000731844385 1075528978 /nfs/dbraw/zinc/52/89/78/1075528978.db2.gz GEEPYCJQCLKZGM-HKUYNNGSSA-N 1 1 403.523 1.890 20 10 HDCDMO C[C@H](NC(=O)C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1)C(=O)N1CCCCC1 ZINC000731844385 1075528981 /nfs/dbraw/zinc/52/89/81/1075528981.db2.gz GEEPYCJQCLKZGM-HKUYNNGSSA-N 1 1 403.523 1.890 20 10 HDCDMO C[C@@H]1CN(c2ccc(CNC(=O)C[N@H+](C)CCn3cccn3)cc2F)C[C@@H](C)O1 ZINC000732209798 1075666299 /nfs/dbraw/zinc/66/62/99/1075666299.db2.gz SRIMTAMZEZQKBC-IAGOWNOFSA-N 1 1 403.502 1.884 20 10 HDCDMO C[C@@H]1CN(c2ccc(CNC(=O)C[N@@H+](C)CCn3cccn3)cc2F)C[C@@H](C)O1 ZINC000732209798 1075666300 /nfs/dbraw/zinc/66/63/00/1075666300.db2.gz SRIMTAMZEZQKBC-IAGOWNOFSA-N 1 1 403.502 1.884 20 10 HDCDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000732242979 1075677988 /nfs/dbraw/zinc/67/79/88/1075677988.db2.gz IZUZNCJZSDZCPK-HXUWFJFHSA-N 1 1 403.571 1.991 20 10 HDCDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000732449328 1075740592 /nfs/dbraw/zinc/74/05/92/1075740592.db2.gz MFUFYTVBMMEMNK-OAQYLSRUSA-N 1 1 404.555 1.805 20 10 HDCDMO COCC[N@H+]1CCC[C@H]1CNC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000732450107 1075740901 /nfs/dbraw/zinc/74/09/01/1075740901.db2.gz NUPGFQQPKDEVKT-QUCCMNQESA-N 1 1 417.554 1.298 20 10 HDCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](C)[C@H](CO)c1ccc(OC)cc1)cc2=O ZINC000733195286 1076002029 /nfs/dbraw/zinc/00/20/29/1076002029.db2.gz IZHWPMFNRBQBKK-QGZVFWFLSA-N 1 1 400.435 1.786 20 10 HDCDMO COc1ccc(N2CC[NH+](CCNC(=O)NC[C@H](OC)C(F)(F)F)CC2)cc1 ZINC000733346627 1076043139 /nfs/dbraw/zinc/04/31/39/1076043139.db2.gz YBHIISIHAKNWOX-INIZCTEOSA-N 1 1 404.433 1.694 20 10 HDCDMO COc1ccc(O)c(CNC(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)c1 ZINC000734065093 1076300595 /nfs/dbraw/zinc/30/05/95/1076300595.db2.gz VKTQXZYMCMYBIJ-UHFFFAOYSA-N 1 1 412.490 1.788 20 10 HDCDMO COc1ccc(N2CCN(C(=O)CON=C(N)C[N@H+]3CCCC[C@H]3C)CC2)cc1 ZINC000730100090 1076453734 /nfs/dbraw/zinc/45/37/34/1076453734.db2.gz UHOSDJNHWLHSPI-QGZVFWFLSA-N 1 1 403.527 1.717 20 10 HDCDMO CCN1CCN(c2ccc(CNC(=O)N(CCOC)CC[NH+](C)C)cc2F)CC1 ZINC000730132235 1076460091 /nfs/dbraw/zinc/46/00/91/1076460091.db2.gz AFAQBSASIMLCAX-UHFFFAOYSA-N 1 1 409.550 1.687 20 10 HDCDMO COCC[N@@H+](C)CCNC(=O)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000804083554 1075357753 /nfs/dbraw/zinc/35/77/53/1075357753.db2.gz BRGAQAVKMNVVFK-INIZCTEOSA-N 1 1 424.973 1.887 20 10 HDCDMO CN(C)c1ccc(CN(C)C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 ZINC000732054497 1075595563 /nfs/dbraw/zinc/59/55/63/1075595563.db2.gz VQXRRDOADAWCFU-HXUWFJFHSA-N 1 1 402.539 1.424 20 10 HDCDMO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NCc1ccc(N2CCCC2)cc1 ZINC000732056700 1075595833 /nfs/dbraw/zinc/59/58/33/1075595833.db2.gz HCXAPLPIKVEIFH-OAQYLSRUSA-N 1 1 414.550 1.616 20 10 HDCDMO COc1ccc(N2CC[NH+](CCNC(=O)CN3C(=O)CCc4ccccc43)CC2)cc1 ZINC000732064338 1075599903 /nfs/dbraw/zinc/59/99/03/1075599903.db2.gz IDQAEBRJRIDYMU-UHFFFAOYSA-N 1 1 422.529 1.913 20 10 HDCDMO O=C(C[N@@H+]1CCC[C@H](N2CCCC2=O)C1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000732212171 1075668898 /nfs/dbraw/zinc/66/88/98/1075668898.db2.gz OPTNNTRIJJAZTG-SFHVURJKSA-N 1 1 418.513 1.365 20 10 HDCDMO O=C(C[N@H+]1CCC[C@H](N2CCCC2=O)C1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000732212171 1075668901 /nfs/dbraw/zinc/66/89/01/1075668901.db2.gz OPTNNTRIJJAZTG-SFHVURJKSA-N 1 1 418.513 1.365 20 10 HDCDMO CCOCC[NH+]1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC1 ZINC000732450216 1075740956 /nfs/dbraw/zinc/74/09/56/1075740956.db2.gz OZPLSVGOHSVFGN-UHFFFAOYSA-N 1 1 408.518 1.651 20 10 HDCDMO COc1ccc(N2CC[NH+](CCNC(=O)N3CCCC[C@H]3C3OCCO3)CC2)cc1 ZINC000732454835 1075742790 /nfs/dbraw/zinc/74/27/90/1075742790.db2.gz DMSSWWNIYMSQHX-FQEVSTJZSA-N 1 1 418.538 1.754 20 10 HDCDMO COc1ccc(N2CC[NH+](CCNC(=O)N3CCCC[C@@H]3C3OCCO3)CC2)cc1 ZINC000732454839 1075742874 /nfs/dbraw/zinc/74/28/74/1075742874.db2.gz DMSSWWNIYMSQHX-HXUWFJFHSA-N 1 1 418.538 1.754 20 10 HDCDMO CCN1CCN(c2ccc(CNC(=O)NC[C@H]3CCC[N@@H+]3CCOC)cc2F)CC1 ZINC000732464016 1075751885 /nfs/dbraw/zinc/75/18/85/1075751885.db2.gz YKOCXXQRWVDDKM-LJQANCHMSA-N 1 1 421.561 1.878 20 10 HDCDMO CCN1CCN(c2ccc(CNC(=O)NC[C@H]3CCC[N@H+]3CCOC)cc2F)CC1 ZINC000732464016 1075751888 /nfs/dbraw/zinc/75/18/88/1075751888.db2.gz YKOCXXQRWVDDKM-LJQANCHMSA-N 1 1 421.561 1.878 20 10 HDCDMO COc1ccc(N2CC[NH+](CCNC(=O)NCCC(=O)NC(C)(C)C)CC2)cc1 ZINC000728132949 1076339229 /nfs/dbraw/zinc/33/92/29/1076339229.db2.gz ZNVZZUATOWBMNH-UHFFFAOYSA-N 1 1 405.543 1.421 20 10 HDCDMO CCN1CCN(c2ccc(CNC(=O)NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)cc2F)CC1 ZINC000730126941 1076458621 /nfs/dbraw/zinc/45/86/21/1076458621.db2.gz VXMHDNYTMXDPIH-RTBURBONSA-N 1 1 419.545 1.630 20 10 HDCDMO CCN1CCN(c2ccc(CNC(=O)NC[C@@H]3C[N@H+]4CCC[C@@H]4CO3)cc2F)CC1 ZINC000730126941 1076458626 /nfs/dbraw/zinc/45/86/26/1076458626.db2.gz VXMHDNYTMXDPIH-RTBURBONSA-N 1 1 419.545 1.630 20 10 HDCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1)cc2=O ZINC000730263423 1076505120 /nfs/dbraw/zinc/50/51/20/1076505120.db2.gz FZHNTOHDDAUUGZ-GFCCVEGCSA-N 1 1 405.455 1.711 20 10 HDCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1)cc2=O ZINC000730263423 1076505127 /nfs/dbraw/zinc/50/51/27/1076505127.db2.gz FZHNTOHDDAUUGZ-GFCCVEGCSA-N 1 1 405.455 1.711 20 10 HDCDMO COc1ccc(N2CC[NH+](CCNC(=O)NCCc3c(C)noc3C)CC2)cc1 ZINC000730581459 1076603063 /nfs/dbraw/zinc/60/30/63/1076603063.db2.gz WVLDKQGMEFPLOJ-UHFFFAOYSA-N 1 1 401.511 1.964 20 10 HDCDMO COc1cccc([C@]2(C)NC(=O)N(NC(=O)C[N@H+](C)Cc3ccccc3O)C2=O)c1 ZINC000731843028 1075548094 /nfs/dbraw/zinc/54/80/94/1075548094.db2.gz NZHNQPNBYHTBPH-NRFANRHFSA-N 1 1 412.446 1.331 20 10 HDCDMO COc1cccc([C@]2(C)NC(=O)N(NC(=O)C[N@@H+](C)Cc3ccccc3O)C2=O)c1 ZINC000731843028 1075548099 /nfs/dbraw/zinc/54/80/99/1075548099.db2.gz NZHNQPNBYHTBPH-NRFANRHFSA-N 1 1 412.446 1.331 20 10 HDCDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000732254108 1075687978 /nfs/dbraw/zinc/68/79/78/1075687978.db2.gz SYUYISPDAKFJIW-QGZVFWFLSA-N 1 1 411.497 1.802 20 10 HDCDMO CCCC(=O)N1CSC[C@H]1C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000727376251 1076100556 /nfs/dbraw/zinc/10/05/56/1076100556.db2.gz VNEBIIJFTNEFKK-IBGZPJMESA-N 1 1 420.579 1.635 20 10 HDCDMO O=C(NCCN1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1)c1ccccc1F ZINC000731206623 1076755091 /nfs/dbraw/zinc/75/50/91/1076755091.db2.gz FAMSSNCIUYOKTN-UHFFFAOYSA-N 1 1 401.438 1.808 20 10 HDCDMO C[N@H+]1CCC[C@@H]2CN(CC(=O)NCc3ccc(N4CCOCC4)c(F)c3)CC[C@H]21 ZINC000766122614 1075127130 /nfs/dbraw/zinc/12/71/30/1075127130.db2.gz KYCVWWZQGOPMCY-UYAOXDASSA-N 1 1 404.530 1.695 20 10 HDCDMO COCCn1c(N)c(C(=O)C[N@@H+](Cc2ccccc2O)C2CCCC2)c(=O)[nH]c1=O ZINC000731848341 1075531302 /nfs/dbraw/zinc/53/13/02/1075531302.db2.gz WTBRRMKOHVCRTP-UHFFFAOYSA-N 1 1 416.478 1.511 20 10 HDCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCCC[C@@H]1CN1CCOCC1)cc2=O ZINC000731849016 1075532101 /nfs/dbraw/zinc/53/21/01/1075532101.db2.gz ZXCUFEIXJFBOKM-MRXNPFEDSA-N 1 1 403.483 1.298 20 10 HDCDMO C[N@H+](CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)Cc1ccccc1O ZINC000731843135 1075548178 /nfs/dbraw/zinc/54/81/78/1075548178.db2.gz ZJOHASLXMMOBTC-UHFFFAOYSA-N 1 1 419.503 1.484 20 10 HDCDMO C[N@@H+](CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)Cc1ccccc1O ZINC000731843135 1075548183 /nfs/dbraw/zinc/54/81/83/1075548183.db2.gz ZJOHASLXMMOBTC-UHFFFAOYSA-N 1 1 419.503 1.484 20 10 HDCDMO C[N@H+](CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)Cc1ccccc1O ZINC000731842801 1075548448 /nfs/dbraw/zinc/54/84/48/1075548448.db2.gz GJRYKPQCSFKJAH-UHFFFAOYSA-N 1 1 419.503 1.484 20 10 HDCDMO C[N@@H+](CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)Cc1ccccc1O ZINC000731842801 1075548455 /nfs/dbraw/zinc/54/84/55/1075548455.db2.gz GJRYKPQCSFKJAH-UHFFFAOYSA-N 1 1 419.503 1.484 20 10 HDCDMO C[N@@H+](CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)Cc1ccccc1O ZINC000731842807 1075548620 /nfs/dbraw/zinc/54/86/20/1075548620.db2.gz GSALTCLLIHOBJR-UHFFFAOYSA-N 1 1 417.531 1.498 20 10 HDCDMO CN(C)c1ccc(CNC(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000732233452 1075685500 /nfs/dbraw/zinc/68/55/00/1075685500.db2.gz SQTYPXXQKPWWNE-UHFFFAOYSA-N 1 1 401.555 1.838 20 10 HDCDMO C[C@@H]1CN(c2ccc(CNC(=O)C[N@H+](C)CCN3CCOCC3)cc2F)C[C@@H](C)O1 ZINC000732871743 1075902217 /nfs/dbraw/zinc/90/22/17/1075902217.db2.gz MMMYSNVEIWELKV-QZTJIDSGSA-N 1 1 422.545 1.320 20 10 HDCDMO C[C@@H]1CN(c2ccc(CNC(=O)C[N@@H+](C)CCN3CCOCC3)cc2F)C[C@@H](C)O1 ZINC000732871743 1075902218 /nfs/dbraw/zinc/90/22/18/1075902218.db2.gz MMMYSNVEIWELKV-QZTJIDSGSA-N 1 1 422.545 1.320 20 10 HDCDMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCc2ccc(N3CCOCC3)cc2)CC1=O ZINC000733139572 1075973485 /nfs/dbraw/zinc/97/34/85/1075973485.db2.gz UMVZGNPCDTVWOI-TZIWHRDSSA-N 1 1 414.550 1.472 20 10 HDCDMO CCN1CCN(c2ccc(CNC(=O)NCCNc3cc[nH+]cc3)cc2F)CC1 ZINC000730133498 1076460075 /nfs/dbraw/zinc/46/00/75/1076460075.db2.gz WCMZHBZZPUSPLL-UHFFFAOYSA-N 1 1 400.502 1.696 20 10 HDCDMO