smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)C[NH+]1CCC(NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)CC1 ZINC000444046538 986244121 /nfs/dbraw/zinc/24/41/21/986244121.db2.gz QOWMYEBPFIRPBL-UHFFFAOYSA-N 2 1 410.606 3.644 20 10 HHCDMP CCCC[NH+]1CCC(NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)CC1 ZINC000444226214 986413334 /nfs/dbraw/zinc/41/33/34/986413334.db2.gz SKGSABIYFHQRPO-UHFFFAOYSA-N 2 1 410.606 3.789 20 10 HHCDMP CC[N@H+]1CC[C@@H](N(C)C(=O)Cn2c3ccccc3c3c2CC[NH+](C(C)C)C3)[C@H](C)C1 ZINC000435826295 981047843 /nfs/dbraw/zinc/04/78/43/981047843.db2.gz LGCLBJNUWYZGEF-DENIHFKCSA-N 2 1 410.606 3.597 20 10 HHCDMP CC[NH+]1CC[C@@H](N(C)C(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)[C@H](C)C1 ZINC000435826295 981047848 /nfs/dbraw/zinc/04/78/48/981047848.db2.gz LGCLBJNUWYZGEF-DENIHFKCSA-N 2 1 410.606 3.597 20 10 HHCDMP CC[NH+]1CC[C@@H](N(C)C(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)[C@H](C)C1 ZINC000435826295 981047853 /nfs/dbraw/zinc/04/78/53/981047853.db2.gz LGCLBJNUWYZGEF-DENIHFKCSA-N 2 1 410.606 3.597 20 10 HHCDMP CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000444032108 986227890 /nfs/dbraw/zinc/22/78/90/986227890.db2.gz OIOZWHJXGXIAOQ-UHFFFAOYSA-N 2 1 410.606 3.787 20 10 HHCDMP CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC[NH+](C3CCCC3)CC2)C1 ZINC000444240461 986432700 /nfs/dbraw/zinc/43/27/00/986432700.db2.gz RGBRWMLVMFCVIU-UHFFFAOYSA-N 2 1 422.617 3.885 20 10 HHCDMP CC(C)[NH+]1CCc2c(c3ccccc3n2CC(=O)N2CCC[N@@H+](C3CCCC3)CC2)C1 ZINC000444240461 986432703 /nfs/dbraw/zinc/43/27/03/986432703.db2.gz RGBRWMLVMFCVIU-UHFFFAOYSA-N 2 1 422.617 3.885 20 10 HHCDMP CC(C)[NH+]1CCc2c(c3ccccc3n2CC(=O)N2CCC[N@H+](C3CCCC3)CC2)C1 ZINC000444240461 986432706 /nfs/dbraw/zinc/43/27/06/986432706.db2.gz RGBRWMLVMFCVIU-UHFFFAOYSA-N 2 1 422.617 3.885 20 10 HHCDMP CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC000443953239 986160897 /nfs/dbraw/zinc/16/08/97/986160897.db2.gz RPSDFULGHPBSJW-QHCPKHFHSA-N 2 1 424.614 3.888 20 10 HHCDMP CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC[C@H](C[NH+](C)CC3CC3)C2)C1 ZINC000444239467 986430364 /nfs/dbraw/zinc/43/03/64/986430364.db2.gz BKPSLFVTLMKSDL-OAQYLSRUSA-N 2 1 422.617 3.598 20 10 HHCDMP CC(C)[NH+]1CCc2c(c3ccccc3n2CC(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)C1 ZINC000444239467 986430372 /nfs/dbraw/zinc/43/03/72/986430372.db2.gz BKPSLFVTLMKSDL-OAQYLSRUSA-N 2 1 422.617 3.598 20 10 HHCDMP CC(C)[NH+]1CCc2c(c3ccccc3n2CC(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)C1 ZINC000444239467 986430381 /nfs/dbraw/zinc/43/03/81/986430381.db2.gz BKPSLFVTLMKSDL-OAQYLSRUSA-N 2 1 422.617 3.598 20 10 HHCDMP CC(C)(C)c1cc(C[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000729684405 1071807715 /nfs/dbraw/zinc/80/77/15/1071807715.db2.gz OGTUDGRNCZYCEY-QGZVFWFLSA-N 2 1 403.611 3.664 20 10 HHCDMP CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)C1 ZINC000444250718 986445144 /nfs/dbraw/zinc/44/51/44/986445144.db2.gz SCEGDOJTTBPAHG-NRFANRHFSA-N 2 1 422.617 3.742 20 10 HHCDMP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CC[NH+](Cc1cc(F)c(F)cc1O)CC2 ZINC001142512603 1072408743 /nfs/dbraw/zinc/40/87/43/1072408743.db2.gz FTKJKUBVXMKUMI-IBGZPJMESA-N 2 1 417.500 3.569 20 10 HHCDMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](Cc1cc(F)c(F)cc1O)CC2 ZINC001142512603 1072408748 /nfs/dbraw/zinc/40/87/48/1072408748.db2.gz FTKJKUBVXMKUMI-IBGZPJMESA-N 2 1 417.500 3.569 20 10 HHCDMP CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000436042374 981175699 /nfs/dbraw/zinc/17/56/99/981175699.db2.gz XKYHFTFBECWNDD-IBGZPJMESA-N 2 1 410.606 3.597 20 10 HHCDMP CC[NH+](CC)C[C@@H]1CCN(C(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)C1 ZINC000444243804 986435795 /nfs/dbraw/zinc/43/57/95/986435795.db2.gz IFYPIGCNHQHUGT-FQEVSTJZSA-N 2 1 410.606 3.598 20 10 HHCDMP COc1cc(Cl)cc(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c1O ZINC000761202439 1075588437 /nfs/dbraw/zinc/58/84/37/1075588437.db2.gz DZYGVVKFQZTTIM-UHFFFAOYSA-N 2 1 410.002 3.682 20 10 HHCDMP CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@@H](c2cccs2)[NH+](C)C)C1 ZINC000443919049 986122326 /nfs/dbraw/zinc/12/23/26/986122326.db2.gz HMZOIXARJPUBDX-QFIPXVFZSA-N 2 1 424.614 3.888 20 10 HHCDMP CC(C)CN(C(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2)C1CC[NH+](C)CC1 ZINC000464571661 988747830 /nfs/dbraw/zinc/74/78/30/988747830.db2.gz FJTFHCKAPWBCBW-UHFFFAOYSA-N 2 1 424.633 3.987 20 10 HHCDMP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CC[NH+](Cc1cc(F)c(F)cc1O)CC2 ZINC001142512604 1072408686 /nfs/dbraw/zinc/40/86/86/1072408686.db2.gz FTKJKUBVXMKUMI-LJQANCHMSA-N 2 1 417.500 3.569 20 10 HHCDMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](Cc1cc(F)c(F)cc1O)CC2 ZINC001142512604 1072408694 /nfs/dbraw/zinc/40/86/94/1072408694.db2.gz FTKJKUBVXMKUMI-LJQANCHMSA-N 2 1 417.500 3.569 20 10 HHCDMP CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000435867010 981066609 /nfs/dbraw/zinc/06/66/09/981066609.db2.gz JTZZBWULJLJCNW-OAQYLSRUSA-N 2 1 422.617 3.885 20 10 HHCDMP CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000435914724 981089927 /nfs/dbraw/zinc/08/99/27/981089927.db2.gz ODAJWLQKLNEPLI-UHFFFAOYSA-N 2 1 410.606 3.644 20 10 HHCDMP CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000444188434 986366511 /nfs/dbraw/zinc/36/65/11/986366511.db2.gz UIWYJUGVUYKVOM-IBGZPJMESA-N 2 1 408.590 3.541 20 10 HHCDMP CC(C)[NH+]1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000444188434 986366517 /nfs/dbraw/zinc/36/65/17/986366517.db2.gz UIWYJUGVUYKVOM-IBGZPJMESA-N 2 1 408.590 3.541 20 10 HHCDMP CC(C)[NH+]1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000444188434 986366524 /nfs/dbraw/zinc/36/65/24/986366524.db2.gz UIWYJUGVUYKVOM-IBGZPJMESA-N 2 1 408.590 3.541 20 10 HHCDMP CC[N@H+]1CC[C@H](N(C)C(=O)Cn2c3ccccc3c3c2CC[NH+](C(C)C)C3)C[C@@H]1C ZINC000444254457 986450906 /nfs/dbraw/zinc/45/09/06/986450906.db2.gz SWQMWLIYRNUYKH-PMACEKPBSA-N 2 1 410.606 3.739 20 10 HHCDMP CC[NH+]1CC[C@H](N(C)C(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)C[C@@H]1C ZINC000444254457 986450912 /nfs/dbraw/zinc/45/09/12/986450912.db2.gz SWQMWLIYRNUYKH-PMACEKPBSA-N 2 1 410.606 3.739 20 10 HHCDMP CC[NH+]1CC[C@H](N(C)C(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)C[C@@H]1C ZINC000444254457 986450916 /nfs/dbraw/zinc/45/09/16/986450916.db2.gz SWQMWLIYRNUYKH-PMACEKPBSA-N 2 1 410.606 3.739 20 10 HHCDMP CN(C)c1ccc(CN(C)C(=O)C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000097549401 969158422 /nfs/dbraw/zinc/15/84/22/969158422.db2.gz NTVDXKSKZWETOL-UHFFFAOYSA-N 2 1 422.617 3.555 20 10 HHCDMP CCC[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)Cc1ccccc1O ZINC000112518140 969813139 /nfs/dbraw/zinc/81/31/39/969813139.db2.gz OLGIRWPGLIALLK-UHFFFAOYSA-N 2 1 413.587 3.792 20 10 HHCDMP CC[N@H+]1CC[C@H](N(C)C(=O)Cn2c3ccccc3c3c2CC[NH+](C(C)C)C3)[C@H](C)C1 ZINC000435826297 981048148 /nfs/dbraw/zinc/04/81/48/981048148.db2.gz LGCLBJNUWYZGEF-KNQAVFIVSA-N 2 1 410.606 3.597 20 10 HHCDMP CC[NH+]1CC[C@H](N(C)C(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)[C@H](C)C1 ZINC000435826297 981048153 /nfs/dbraw/zinc/04/81/53/981048153.db2.gz LGCLBJNUWYZGEF-KNQAVFIVSA-N 2 1 410.606 3.597 20 10 HHCDMP CC[NH+]1CC[C@H](N(C)C(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)[C@H](C)C1 ZINC000435826297 981048160 /nfs/dbraw/zinc/04/81/60/981048160.db2.gz LGCLBJNUWYZGEF-KNQAVFIVSA-N 2 1 410.606 3.597 20 10 HHCDMP CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000444732177 986903705 /nfs/dbraw/zinc/90/37/05/986903705.db2.gz JQGPOJDJQPKQAP-UHFFFAOYSA-N 2 1 410.606 3.833 20 10 HHCDMP CC[NH+](CC)CC1CCN(C(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)CC1 ZINC000444145215 986331790 /nfs/dbraw/zinc/33/17/90/986331790.db2.gz ODXGVKXQRGXADA-UHFFFAOYSA-N 2 1 424.633 3.988 20 10 HHCDMP CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC[C@@H](C[NH+](C)CC3CC3)C2)C1 ZINC000444239466 986430072 /nfs/dbraw/zinc/43/00/72/986430072.db2.gz BKPSLFVTLMKSDL-NRFANRHFSA-N 2 1 422.617 3.598 20 10 HHCDMP CC(C)[NH+]1CCc2c(c3ccccc3n2CC(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)C1 ZINC000444239466 986430080 /nfs/dbraw/zinc/43/00/80/986430080.db2.gz BKPSLFVTLMKSDL-NRFANRHFSA-N 2 1 422.617 3.598 20 10 HHCDMP CC(C)[NH+]1CCc2c(c3ccccc3n2CC(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)C1 ZINC000444239466 986430087 /nfs/dbraw/zinc/43/00/87/986430087.db2.gz BKPSLFVTLMKSDL-NRFANRHFSA-N 2 1 422.617 3.598 20 10 HHCDMP CC[N@H+]1CC[C@H](N(C)C(=O)Cn2c3ccccc3c3c2CC[NH+](C(C)C)C3)[C@@H](C)C1 ZINC000435826451 981047901 /nfs/dbraw/zinc/04/79/01/981047901.db2.gz LGCLBJNUWYZGEF-UGKGYDQZSA-N 2 1 410.606 3.597 20 10 HHCDMP CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NCc2ccccc2C[NH+](C)C)C1 ZINC000443916367 986118008 /nfs/dbraw/zinc/11/80/08/986118008.db2.gz AKLMNQCPMUZOEJ-UHFFFAOYSA-N 2 1 418.585 3.786 20 10 HHCDMP CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N(CC[NH+](C)C)Cc2ccco2)C1 ZINC000435817809 981043851 /nfs/dbraw/zinc/04/38/51/981043851.db2.gz MHAPFTBCTJFOKR-UHFFFAOYSA-N 2 1 422.573 3.591 20 10 HHCDMP CC(C)C[N@H+]1CC[C@H](CNC(=O)Cn2c3ccccc3c3c2CC[NH+](C(C)C)C3)C1 ZINC000444270266 986463339 /nfs/dbraw/zinc/46/33/39/986463339.db2.gz ODAGMLOJZHXOLI-HXUWFJFHSA-N 2 1 410.606 3.502 20 10 HHCDMP CC(C)C[NH+]1CC[C@H](CNC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)C1 ZINC000444270266 986463343 /nfs/dbraw/zinc/46/33/43/986463343.db2.gz ODAGMLOJZHXOLI-HXUWFJFHSA-N 2 1 410.606 3.502 20 10 HHCDMP CC(C)C[NH+]1CC[C@H](CNC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)C1 ZINC000444270266 986463349 /nfs/dbraw/zinc/46/33/49/986463349.db2.gz ODAGMLOJZHXOLI-HXUWFJFHSA-N 2 1 410.606 3.502 20 10 HHCDMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)Cn2c3ccccc3c3c2CC[NH+](C(C)C)C3)C1 ZINC000444270263 986463483 /nfs/dbraw/zinc/46/34/83/986463483.db2.gz ODAGMLOJZHXOLI-FQEVSTJZSA-N 2 1 410.606 3.502 20 10 HHCDMP CC(C)C[NH+]1CC[C@@H](CNC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)C1 ZINC000444270263 986463487 /nfs/dbraw/zinc/46/34/87/986463487.db2.gz ODAGMLOJZHXOLI-FQEVSTJZSA-N 2 1 410.606 3.502 20 10 HHCDMP CC(C)C[NH+]1CC[C@@H](CNC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)C1 ZINC000444270263 986463491 /nfs/dbraw/zinc/46/34/91/986463491.db2.gz ODAGMLOJZHXOLI-FQEVSTJZSA-N 2 1 410.606 3.502 20 10 HHCDMP CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC(CCC[NH+](C)C)CC2)C1 ZINC000444273689 986466332 /nfs/dbraw/zinc/46/63/32/986466332.db2.gz SJLCDXBJLGFOMZ-UHFFFAOYSA-N 2 1 424.633 3.988 20 10 HHCDMP Cc1c[nH+]cn1C1CCN(C(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)CC1 ZINC000505659739 1000960437 /nfs/dbraw/zinc/96/04/37/1000960437.db2.gz QKZTWIGUEPDQPL-UHFFFAOYSA-N 2 1 419.573 3.776 20 10 HHCDMP Cc1c[nH+]cn1C1CCN(C(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)CC1 ZINC000505659739 1000960445 /nfs/dbraw/zinc/96/04/45/1000960445.db2.gz QKZTWIGUEPDQPL-UHFFFAOYSA-N 2 1 419.573 3.776 20 10 HHCDMP CC[N@H+]1CC[C@@H](N(C)C(=O)Cn2c3ccccc3c3c2CC[NH+](C(C)C)C3)[C@@H](C)C1 ZINC000435826299 981048032 /nfs/dbraw/zinc/04/80/32/981048032.db2.gz LGCLBJNUWYZGEF-SIKLNZKXSA-N 2 1 410.606 3.597 20 10 HHCDMP CC[NH+]1CC[C@@H](N(C)C(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)[C@@H](C)C1 ZINC000435826299 981048035 /nfs/dbraw/zinc/04/80/35/981048035.db2.gz LGCLBJNUWYZGEF-SIKLNZKXSA-N 2 1 410.606 3.597 20 10 HHCDMP CC[NH+]1CC[C@@H](N(C)C(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)[C@@H](C)C1 ZINC000435826299 981048042 /nfs/dbraw/zinc/04/80/42/981048042.db2.gz LGCLBJNUWYZGEF-SIKLNZKXSA-N 2 1 410.606 3.597 20 10 HHCDMP CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000435861751 981064088 /nfs/dbraw/zinc/06/40/88/981064088.db2.gz WDUNEQDQLRGMRA-OAQYLSRUSA-N 2 1 422.617 3.885 20 10 HHCDMP CC[NH+](CC)C[C@H]1CCN(C(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)C1 ZINC000444243806 986435756 /nfs/dbraw/zinc/43/57/56/986435756.db2.gz IFYPIGCNHQHUGT-HXUWFJFHSA-N 2 1 410.606 3.598 20 10 HHCDMP CC(C)[NH+]1CCC(N(C)C(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)CC1 ZINC000435663227 980978148 /nfs/dbraw/zinc/97/81/48/980978148.db2.gz HWZPPXKEHUPCCL-UHFFFAOYSA-N 2 1 410.606 3.739 20 10 HHCDMP CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cc(C[NH+](C)C)ccn2)C1 ZINC000435818790 981044244 /nfs/dbraw/zinc/04/42/44/981044244.db2.gz NWMMRSRWBZGVLW-UHFFFAOYSA-N 2 1 405.546 3.503 20 10 HHCDMP CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000435861748 981064057 /nfs/dbraw/zinc/06/40/57/981064057.db2.gz WDUNEQDQLRGMRA-NRFANRHFSA-N 2 1 422.617 3.885 20 10 HHCDMP CC(C)[NH+]1CCc2c(c3ccccc3n2CC(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)C1 ZINC000444148343 986333419 /nfs/dbraw/zinc/33/34/19/986333419.db2.gz SZTIJQVSETVOEB-FQEVSTJZSA-N 2 1 410.606 3.644 20 10 HHCDMP CC(C)[NH+]1CCC[C@@H](CNC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)C1 ZINC000444148343 986333432 /nfs/dbraw/zinc/33/34/32/986333432.db2.gz SZTIJQVSETVOEB-FQEVSTJZSA-N 2 1 410.606 3.644 20 10 HHCDMP CC(C)[NH+]1CCC[C@@H](CNC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)C1 ZINC000444148343 986333445 /nfs/dbraw/zinc/33/34/45/986333445.db2.gz SZTIJQVSETVOEB-FQEVSTJZSA-N 2 1 410.606 3.644 20 10 HHCDMP CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC(CC[NH+](C)C)CC2)C1 ZINC000444239288 986430512 /nfs/dbraw/zinc/43/05/12/986430512.db2.gz MDDIGKBZGQHRJC-UHFFFAOYSA-N 2 1 410.606 3.598 20 10 HHCDMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Cn2c3ccccc3c3c2CC[NH+](C(C)C)C3)C1 ZINC000444251367 986446641 /nfs/dbraw/zinc/44/66/41/986446641.db2.gz SXYSUPKTKGFYPO-FQEVSTJZSA-N 2 1 410.606 3.598 20 10 HHCDMP CCC[NH+](C)C[C@@H]1CCN(C(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)C1 ZINC000444251367 986446645 /nfs/dbraw/zinc/44/66/45/986446645.db2.gz SXYSUPKTKGFYPO-FQEVSTJZSA-N 2 1 410.606 3.598 20 10 HHCDMP CCC[NH+](C)C[C@@H]1CCN(C(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)C1 ZINC000444251367 986446651 /nfs/dbraw/zinc/44/66/51/986446651.db2.gz SXYSUPKTKGFYPO-FQEVSTJZSA-N 2 1 410.606 3.598 20 10 HHCDMP CC[NH+]1CCC(CCNC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)CC1 ZINC000444252593 986447336 /nfs/dbraw/zinc/44/73/36/986447336.db2.gz WJWNCFDRQPULHT-UHFFFAOYSA-N 2 1 410.606 3.646 20 10 HHCDMP CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000435867009 981066629 /nfs/dbraw/zinc/06/66/29/981066629.db2.gz JTZZBWULJLJCNW-NRFANRHFSA-N 2 1 422.617 3.885 20 10 HHCDMP CC(C)[NH+]1CCc2c(c3ccccc3n2CC(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)C1 ZINC000444148344 986333310 /nfs/dbraw/zinc/33/33/10/986333310.db2.gz SZTIJQVSETVOEB-HXUWFJFHSA-N 2 1 410.606 3.644 20 10 HHCDMP CC(C)[NH+]1CCC[C@H](CNC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)C1 ZINC000444148344 986333326 /nfs/dbraw/zinc/33/33/26/986333326.db2.gz SZTIJQVSETVOEB-HXUWFJFHSA-N 2 1 410.606 3.644 20 10 HHCDMP CC(C)[NH+]1CCC[C@H](CNC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)C1 ZINC000444148344 986333333 /nfs/dbraw/zinc/33/33/33/986333333.db2.gz SZTIJQVSETVOEB-HXUWFJFHSA-N 2 1 410.606 3.644 20 10 HHCDMP CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@H]2CCCC[NH+]2C2CC2)C1 ZINC000444284898 986473261 /nfs/dbraw/zinc/47/32/61/986473261.db2.gz VHUJDBHPWWZAMT-HXUWFJFHSA-N 2 1 408.590 3.541 20 10 HHCDMP CC(C)[NH+]1CCc2c(c3ccccc3n2CC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000444284898 986473269 /nfs/dbraw/zinc/47/32/69/986473269.db2.gz VHUJDBHPWWZAMT-HXUWFJFHSA-N 2 1 408.590 3.541 20 10 HHCDMP CC(C)[NH+]1CCc2c(c3ccccc3n2CC(=O)NC[C@H]2CCCC[N@H+]2C2CC2)C1 ZINC000444284898 986473274 /nfs/dbraw/zinc/47/32/74/986473274.db2.gz VHUJDBHPWWZAMT-HXUWFJFHSA-N 2 1 408.590 3.541 20 10 HHCDMP CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NCc2ccc(C[NH+](C)C)cc2)C1 ZINC000443917130 986119046 /nfs/dbraw/zinc/11/90/46/986119046.db2.gz QIZGGCZQMLXFKJ-UHFFFAOYSA-N 2 1 418.585 3.786 20 10 HHCDMP CCC[NH+]1CCC(CNC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)CC1 ZINC000444142203 986329298 /nfs/dbraw/zinc/32/92/98/986329298.db2.gz KHMRCSGEICUHGS-UHFFFAOYSA-N 2 1 410.606 3.646 20 10 HHCDMP CC[N@H+]1CC[C@@H](N(C)C(=O)Cn2c3ccccc3c3c2CC[NH+](C(C)C)C3)C[C@@H]1C ZINC000444254459 986451011 /nfs/dbraw/zinc/45/10/11/986451011.db2.gz SWQMWLIYRNUYKH-VQTJNVASSA-N 2 1 410.606 3.739 20 10 HHCDMP CC[NH+]1CC[C@@H](N(C)C(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)C[C@@H]1C ZINC000444254459 986451015 /nfs/dbraw/zinc/45/10/15/986451015.db2.gz SWQMWLIYRNUYKH-VQTJNVASSA-N 2 1 410.606 3.739 20 10 HHCDMP CC[NH+]1CC[C@@H](N(C)C(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)C[C@@H]1C ZINC000444254459 986451020 /nfs/dbraw/zinc/45/10/20/986451020.db2.gz SWQMWLIYRNUYKH-VQTJNVASSA-N 2 1 410.606 3.739 20 10 HHCDMP CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NCCCCC[NH+]2CCCC2)C1 ZINC000508214491 1002746096 /nfs/dbraw/zinc/74/60/96/1002746096.db2.gz FBCZMIYXPSHKSI-UHFFFAOYSA-N 2 1 410.606 3.790 20 10 HHCDMP CC(C)(C)c1cc(C[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000729684404 1071806439 /nfs/dbraw/zinc/80/64/39/1071806439.db2.gz OGTUDGRNCZYCEY-KRWDZBQOSA-N 2 1 403.611 3.664 20 10 HHCDMP CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NCc2cccc(C[NH+](C)C)c2)C1 ZINC000443911933 986111674 /nfs/dbraw/zinc/11/16/74/986111674.db2.gz ZJCWLABJPHUQGE-UHFFFAOYSA-N 2 1 418.585 3.786 20 10 HHCDMP CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000444238580 986429240 /nfs/dbraw/zinc/42/92/40/986429240.db2.gz ADURYOHIGKXBMZ-UHFFFAOYSA-N 2 1 422.617 3.931 20 10 HHCDMP CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC000444250013 986444322 /nfs/dbraw/zinc/44/43/22/986444322.db2.gz JNMISSSJFVIULT-IHWFROFDSA-N 2 1 408.590 3.539 20 10 HHCDMP CC(C)[NH+]1CCc2c(c3ccccc3n2CC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000444250013 986444327 /nfs/dbraw/zinc/44/43/27/986444327.db2.gz JNMISSSJFVIULT-IHWFROFDSA-N 2 1 408.590 3.539 20 10 HHCDMP CC(C)[NH+]1CCc2c(c3ccccc3n2CC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000444250013 986444332 /nfs/dbraw/zinc/44/43/32/986444332.db2.gz JNMISSSJFVIULT-IHWFROFDSA-N 2 1 408.590 3.539 20 10 HHCDMP CC[N@H+]1CC[C@@H](N(C)C(=O)Cn2c3ccccc3c3c2CC[NH+](C(C)C)C3)C[C@H]1C ZINC000444254460 986451263 /nfs/dbraw/zinc/45/12/63/986451263.db2.gz SWQMWLIYRNUYKH-WOJBJXKFSA-N 2 1 410.606 3.739 20 10 HHCDMP CC[NH+]1CC[C@@H](N(C)C(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)C[C@H]1C ZINC000444254460 986451267 /nfs/dbraw/zinc/45/12/67/986451267.db2.gz SWQMWLIYRNUYKH-WOJBJXKFSA-N 2 1 410.606 3.739 20 10 HHCDMP CC[NH+]1CC[C@@H](N(C)C(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)C[C@H]1C ZINC000444254460 986451272 /nfs/dbraw/zinc/45/12/72/986451272.db2.gz SWQMWLIYRNUYKH-WOJBJXKFSA-N 2 1 410.606 3.739 20 10 HHCDMP CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@H](c2ccsc2)[NH+](C)C)C1 ZINC000443953238 986160756 /nfs/dbraw/zinc/16/07/56/986160756.db2.gz RPSDFULGHPBSJW-HSZRJFAPSA-N 2 1 424.614 3.888 20 10 HHCDMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)Cn2c3ccccc3c3c2CC[NH+](C(C)C)C3)C1 ZINC000444251369 986446471 /nfs/dbraw/zinc/44/64/71/986446471.db2.gz SXYSUPKTKGFYPO-HXUWFJFHSA-N 2 1 410.606 3.598 20 10 HHCDMP CCC[NH+](C)C[C@H]1CCN(C(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)C1 ZINC000444251369 986446478 /nfs/dbraw/zinc/44/64/78/986446478.db2.gz SXYSUPKTKGFYPO-HXUWFJFHSA-N 2 1 410.606 3.598 20 10 HHCDMP CCC[NH+](C)C[C@H]1CCN(C(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)C1 ZINC000444251369 986446488 /nfs/dbraw/zinc/44/64/88/986446488.db2.gz SXYSUPKTKGFYPO-HXUWFJFHSA-N 2 1 410.606 3.598 20 10 HHCDMP CC[N@H+]1CC[C@H](N(C)C(=O)Cn2c3ccccc3c3c2CC[NH+](C(C)C)C3)C[C@H]1C ZINC000444254458 986451298 /nfs/dbraw/zinc/45/12/98/986451298.db2.gz SWQMWLIYRNUYKH-UXHICEINSA-N 2 1 410.606 3.739 20 10 HHCDMP CC[NH+]1CC[C@H](N(C)C(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)C[C@H]1C ZINC000444254458 986451303 /nfs/dbraw/zinc/45/13/03/986451303.db2.gz SWQMWLIYRNUYKH-UXHICEINSA-N 2 1 410.606 3.739 20 10 HHCDMP CC[NH+]1CC[C@H](N(C)C(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)C[C@H]1C ZINC000444254458 986451306 /nfs/dbraw/zinc/45/13/06/986451306.db2.gz SWQMWLIYRNUYKH-UXHICEINSA-N 2 1 410.606 3.739 20 10 HHCDMP CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)C1 ZINC000436042379 981175736 /nfs/dbraw/zinc/17/57/36/981175736.db2.gz XKYHFTFBECWNDD-LJQANCHMSA-N 2 1 410.606 3.597 20 10 HHCDMP CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@H](c2cccs2)[NH+](C)C)C1 ZINC000443919048 986122733 /nfs/dbraw/zinc/12/27/33/986122733.db2.gz HMZOIXARJPUBDX-JOCHJYFZSA-N 2 1 424.614 3.888 20 10 HHCDMP CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000477947982 998675410 /nfs/dbraw/zinc/67/54/10/998675410.db2.gz TWHFCFQBNNKPCY-UHFFFAOYSA-N 2 1 408.590 3.541 20 10 HHCDMP CCC[NH+]1CCC(N(C)C(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)CC1 ZINC000444024058 986217923 /nfs/dbraw/zinc/21/79/23/986217923.db2.gz WHLPDRXIFQWXPK-UHFFFAOYSA-N 2 1 410.606 3.741 20 10 HHCDMP CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000444188435 986366226 /nfs/dbraw/zinc/36/62/26/986366226.db2.gz UIWYJUGVUYKVOM-LJQANCHMSA-N 2 1 408.590 3.541 20 10 HHCDMP CC(C)[NH+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000444188435 986366233 /nfs/dbraw/zinc/36/62/33/986366233.db2.gz UIWYJUGVUYKVOM-LJQANCHMSA-N 2 1 408.590 3.541 20 10 HHCDMP CC(C)[NH+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000444188435 986366240 /nfs/dbraw/zinc/36/62/40/986366240.db2.gz UIWYJUGVUYKVOM-LJQANCHMSA-N 2 1 408.590 3.541 20 10 HHCDMP CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)C1 ZINC000444250721 986445438 /nfs/dbraw/zinc/44/54/38/986445438.db2.gz SCEGDOJTTBPAHG-OAQYLSRUSA-N 2 1 422.617 3.742 20 10 HHCDMP CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@@H]2CCCC[NH+]2C2CC2)C1 ZINC000444284897 986472957 /nfs/dbraw/zinc/47/29/57/986472957.db2.gz VHUJDBHPWWZAMT-FQEVSTJZSA-N 2 1 408.590 3.541 20 10 HHCDMP CC(C)[NH+]1CCc2c(c3ccccc3n2CC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000444284897 986472960 /nfs/dbraw/zinc/47/29/60/986472960.db2.gz VHUJDBHPWWZAMT-FQEVSTJZSA-N 2 1 408.590 3.541 20 10 HHCDMP CC(C)[NH+]1CCc2c(c3ccccc3n2CC(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)C1 ZINC000444284897 986472964 /nfs/dbraw/zinc/47/29/64/986472964.db2.gz VHUJDBHPWWZAMT-FQEVSTJZSA-N 2 1 408.590 3.541 20 10 HHCDMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)Cn1c3ccccc3c3c1CC[NH+](C(C)C)C3)CC2 ZINC000435813728 981041665 /nfs/dbraw/zinc/04/16/65/981041665.db2.gz LZPLQSUIXRUGRA-RTWAWAEBSA-N 2 1 422.617 3.882 20 10 HHCDMP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(C(=O)Cn1c3ccccc3c3c1CC[N@H+](C(C)C)C3)CC2 ZINC000435813728 981041669 /nfs/dbraw/zinc/04/16/69/981041669.db2.gz LZPLQSUIXRUGRA-RTWAWAEBSA-N 2 1 422.617 3.882 20 10 HHCDMP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(C(=O)Cn1c3ccccc3c3c1CC[N@@H+](C(C)C)C3)CC2 ZINC000435813728 981041673 /nfs/dbraw/zinc/04/16/73/981041673.db2.gz LZPLQSUIXRUGRA-RTWAWAEBSA-N 2 1 422.617 3.882 20 10 HHCDMP CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000444236457 986425820 /nfs/dbraw/zinc/42/58/20/986425820.db2.gz KEKLMYVFKVPHBN-UHFFFAOYSA-N 2 1 422.617 3.742 20 10 HHCDMP CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NCC(C)(C)C[NH+]2CCCC2)C1 ZINC000435975051 981125467 /nfs/dbraw/zinc/12/54/67/981125467.db2.gz RZYQAGKYOYWHIF-UHFFFAOYSA-N 2 1 410.606 3.646 20 10 HHCDMP CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC([NH+]3CCCCC3)CC2)C1 ZINC000444025287 986220042 /nfs/dbraw/zinc/22/00/42/986220042.db2.gz OYQMPBIGNAWPMQ-UHFFFAOYSA-N 2 1 422.617 3.885 20 10 HHCDMP