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)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)C1 ZINC000436026427 981164972 /nfs/dbraw/zinc/16/49/72/981164972.db2.gz YGGOKSNCIDHYIO-NRFANRHFSA-N 2 0 422.617 3.598 20 10 HHCDRP CC(C)C[NH+]1CCC(NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)CC1 ZINC000444046538 986244107 /nfs/dbraw/zinc/24/41/07/986244107.db2.gz QOWMYEBPFIRPBL-UHFFFAOYSA-N 2 0 410.606 3.644 20 10 HHCDRP CCCC[NH+]1CCC(NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)CC1 ZINC000444226214 986413298 /nfs/dbraw/zinc/41/32/98/986413298.db2.gz SKGSABIYFHQRPO-UHFFFAOYSA-N 2 0 410.606 3.789 20 10 HHCDRP CC[N@@H+]1CC[C@@H](N(C)C(=O)Cn2c3ccccc3c3c2CC[NH+](C(C)C)C3)[C@H](C)C1 ZINC000435826295 981047840 /nfs/dbraw/zinc/04/78/40/981047840.db2.gz LGCLBJNUWYZGEF-DENIHFKCSA-N 2 0 410.606 3.597 20 10 HHCDRP CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000444032108 986227877 /nfs/dbraw/zinc/22/78/77/986227877.db2.gz OIOZWHJXGXIAOQ-UHFFFAOYSA-N 2 0 410.606 3.787 20 10 HHCDRP CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC[NH+](C3CCCC3)CC2)C1 ZINC000444240461 986432696 /nfs/dbraw/zinc/43/26/96/986432696.db2.gz RGBRWMLVMFCVIU-UHFFFAOYSA-N 2 0 422.617 3.885 20 10 HHCDRP CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC000443953239 986160892 /nfs/dbraw/zinc/16/08/92/986160892.db2.gz RPSDFULGHPBSJW-QHCPKHFHSA-N 2 0 424.614 3.888 20 10 HHCDRP CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC[C@H](C[NH+](C)CC3CC3)C2)C1 ZINC000444239467 986430342 /nfs/dbraw/zinc/43/03/42/986430342.db2.gz BKPSLFVTLMKSDL-OAQYLSRUSA-N 2 0 422.617 3.598 20 10 HHCDRP 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 1071807710 /nfs/dbraw/zinc/80/77/10/1071807710.db2.gz OGTUDGRNCZYCEY-QGZVFWFLSA-N 2 0 403.611 3.664 20 10 HHCDRP COc1cc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)c(O)c(C(C)(C)C)c1 ZINC000760286386 1072183615 /nfs/dbraw/zinc/18/36/15/1072183615.db2.gz KUSWYBCSMBJUSP-UHFFFAOYSA-N 2 0 403.611 3.689 20 10 HHCDRP C[NH+](C)C1CCC([NH2+]Cc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)CC1 ZINC001168294680 1072449269 /nfs/dbraw/zinc/44/92/69/1072449269.db2.gz BFAPWZVNBTVCAX-UHFFFAOYSA-N 2 0 416.610 3.706 20 10 HHCDRP CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)C1 ZINC000444250718 986445136 /nfs/dbraw/zinc/44/51/36/986445136.db2.gz SCEGDOJTTBPAHG-NRFANRHFSA-N 2 0 422.617 3.742 20 10 HHCDRP CCOc1ccc(O)c(C[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](CC)CC2)c1 ZINC000237085386 970219628 /nfs/dbraw/zinc/21/96/28/970219628.db2.gz DAXVWXRXINFUAS-KRWDZBQOSA-N 2 0 401.526 3.923 20 10 HHCDRP CC[NH+](CC)C[C@@H]1CCN(C(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)C1 ZINC000444243804 986435793 /nfs/dbraw/zinc/43/57/93/986435793.db2.gz IFYPIGCNHQHUGT-FQEVSTJZSA-N 2 0 410.606 3.598 20 10 HHCDRP COc1cc(Cl)cc(C[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c1O ZINC000761215270 1075629463 /nfs/dbraw/zinc/62/94/63/1075629463.db2.gz ITHDNCYAADSPEH-UHFFFAOYSA-N 2 0 415.965 3.876 20 10 HHCDRP COc1cc(Cl)cc(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c1O ZINC000761202439 1075588428 /nfs/dbraw/zinc/58/84/28/1075588428.db2.gz DZYGVVKFQZTTIM-UHFFFAOYSA-N 2 0 410.002 3.682 20 10 HHCDRP CCOc1cccc(C[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](CC)CC2)c1O ZINC000236922209 970190142 /nfs/dbraw/zinc/19/01/42/970190142.db2.gz DRZHXHZODRRJTN-KRWDZBQOSA-N 2 0 401.526 3.923 20 10 HHCDRP CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@@H](c2cccs2)[NH+](C)C)C1 ZINC000443919049 986122318 /nfs/dbraw/zinc/12/23/18/986122318.db2.gz HMZOIXARJPUBDX-QFIPXVFZSA-N 2 0 424.614 3.888 20 10 HHCDRP CC(C)CN(C(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2)C1CC[NH+](C)CC1 ZINC000464571661 988747824 /nfs/dbraw/zinc/74/78/24/988747824.db2.gz FJTFHCKAPWBCBW-UHFFFAOYSA-N 2 0 424.633 3.987 20 10 HHCDRP CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000435867010 981066605 /nfs/dbraw/zinc/06/66/05/981066605.db2.gz JTZZBWULJLJCNW-OAQYLSRUSA-N 2 0 422.617 3.885 20 10 HHCDRP CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000435914724 981089921 /nfs/dbraw/zinc/08/99/21/981089921.db2.gz ODAJWLQKLNEPLI-UHFFFAOYSA-N 2 0 410.606 3.644 20 10 HHCDRP CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000444188434 986366504 /nfs/dbraw/zinc/36/65/04/986366504.db2.gz UIWYJUGVUYKVOM-IBGZPJMESA-N 2 0 408.590 3.541 20 10 HHCDRP CC[N@@H+]1CC[C@H](N(C)C(=O)Cn2c3ccccc3c3c2CC[NH+](C(C)C)C3)C[C@@H]1C ZINC000444254457 986450900 /nfs/dbraw/zinc/45/09/00/986450900.db2.gz SWQMWLIYRNUYKH-PMACEKPBSA-N 2 0 410.606 3.739 20 10 HHCDRP CN(C)c1ccc(CN(C)C(=O)C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)cc1 ZINC000097549401 969158414 /nfs/dbraw/zinc/15/84/14/969158414.db2.gz NTVDXKSKZWETOL-UHFFFAOYSA-N 2 0 422.617 3.555 20 10 HHCDRP CCC[N@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)Cc1ccccc1O ZINC000112518140 969813108 /nfs/dbraw/zinc/81/31/08/969813108.db2.gz OLGIRWPGLIALLK-UHFFFAOYSA-N 2 0 413.587 3.792 20 10 HHCDRP CC[N@@H+]1CC[C@H](N(C)C(=O)Cn2c3ccccc3c3c2CC[NH+](C(C)C)C3)[C@H](C)C1 ZINC000435826297 981048142 /nfs/dbraw/zinc/04/81/42/981048142.db2.gz LGCLBJNUWYZGEF-KNQAVFIVSA-N 2 0 410.606 3.597 20 10 HHCDRP c1ccc(C[NH+]2CCC(OCCC[NH2+]Cc3ccc(N4CCOCC4)cc3)CC2)cc1 ZINC000236719826 970162528 /nfs/dbraw/zinc/16/25/28/970162528.db2.gz UPOQLKQRCFFRDV-UHFFFAOYSA-N 2 0 423.601 3.684 20 10 HHCDRP COc1cc(Cl)cc(C[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)c1O ZINC000761199194 1075582351 /nfs/dbraw/zinc/58/23/51/1075582351.db2.gz XGRLQUZGRWTMPC-UHFFFAOYSA-N 2 0 417.981 3.742 20 10 HHCDRP CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000444732177 986903699 /nfs/dbraw/zinc/90/36/99/986903699.db2.gz JQGPOJDJQPKQAP-UHFFFAOYSA-N 2 0 410.606 3.833 20 10 HHCDRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+]Cc2ccc(N3CCCCC3)cc2)cc1 ZINC000238076062 970434127 /nfs/dbraw/zinc/43/41/27/970434127.db2.gz CREKFWBJVCDZGZ-UHFFFAOYSA-N 2 0 420.601 3.792 20 10 HHCDRP CC[NH+](CC)CC1CCN(C(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)CC1 ZINC000444145215 986331782 /nfs/dbraw/zinc/33/17/82/986331782.db2.gz ODXGVKXQRGXADA-UHFFFAOYSA-N 2 0 424.633 3.988 20 10 HHCDRP CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC[C@@H](C[NH+](C)CC3CC3)C2)C1 ZINC000444239466 986430063 /nfs/dbraw/zinc/43/00/63/986430063.db2.gz BKPSLFVTLMKSDL-NRFANRHFSA-N 2 0 422.617 3.598 20 10 HHCDRP CC[N@@H+]1CC[C@H](N(C)C(=O)Cn2c3ccccc3c3c2CC[NH+](C(C)C)C3)[C@@H](C)C1 ZINC000435826451 981047897 /nfs/dbraw/zinc/04/78/97/981047897.db2.gz LGCLBJNUWYZGEF-UGKGYDQZSA-N 2 0 410.606 3.597 20 10 HHCDRP CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCc2ccccc2C[NH+](C)C)C1 ZINC000443916367 986118001 /nfs/dbraw/zinc/11/80/01/986118001.db2.gz AKLMNQCPMUZOEJ-UHFFFAOYSA-N 2 0 418.585 3.786 20 10 HHCDRP CCOc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](CC)CC2)c(O)c1 ZINC000729682885 1071803347 /nfs/dbraw/zinc/80/33/47/1071803347.db2.gz GWHZDFXFGSSOFW-KRWDZBQOSA-N 2 0 401.526 3.923 20 10 HHCDRP CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(CC[NH+](C)C)Cc2ccco2)C1 ZINC000435817809 981043848 /nfs/dbraw/zinc/04/38/48/981043848.db2.gz MHAPFTBCTJFOKR-UHFFFAOYSA-N 2 0 422.573 3.591 20 10 HHCDRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)Cn2c3ccccc3c3c2CC[NH+](C(C)C)C3)C1 ZINC000444270266 986463330 /nfs/dbraw/zinc/46/33/30/986463330.db2.gz ODAGMLOJZHXOLI-HXUWFJFHSA-N 2 0 410.606 3.502 20 10 HHCDRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Cn2c3ccccc3c3c2CC[NH+](C(C)C)C3)C1 ZINC000444270263 986463476 /nfs/dbraw/zinc/46/34/76/986463476.db2.gz ODAGMLOJZHXOLI-FQEVSTJZSA-N 2 0 410.606 3.502 20 10 HHCDRP CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC(CCC[NH+](C)C)CC2)C1 ZINC000444273689 986466328 /nfs/dbraw/zinc/46/63/28/986466328.db2.gz SJLCDXBJLGFOMZ-UHFFFAOYSA-N 2 0 424.633 3.988 20 10 HHCDRP CC[N@@H+]1CC[C@@H](N(C)C(=O)Cn2c3ccccc3c3c2CC[NH+](C(C)C)C3)[C@@H](C)C1 ZINC000435826299 981048025 /nfs/dbraw/zinc/04/80/25/981048025.db2.gz LGCLBJNUWYZGEF-SIKLNZKXSA-N 2 0 410.606 3.597 20 10 HHCDRP CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000435861751 981064083 /nfs/dbraw/zinc/06/40/83/981064083.db2.gz WDUNEQDQLRGMRA-OAQYLSRUSA-N 2 0 422.617 3.885 20 10 HHCDRP CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)C1 ZINC000436026428 981165188 /nfs/dbraw/zinc/16/51/88/981165188.db2.gz YGGOKSNCIDHYIO-OAQYLSRUSA-N 2 0 422.617 3.598 20 10 HHCDRP CC[NH+](CC)C[C@H]1CCN(C(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)C1 ZINC000444243806 986435755 /nfs/dbraw/zinc/43/57/55/986435755.db2.gz IFYPIGCNHQHUGT-HXUWFJFHSA-N 2 0 410.606 3.598 20 10 HHCDRP CC(C)[NH+]1CCC(N(C)C(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)CC1 ZINC000435663227 980978145 /nfs/dbraw/zinc/97/81/45/980978145.db2.gz HWZPPXKEHUPCCL-UHFFFAOYSA-N 2 0 410.606 3.739 20 10 HHCDRP CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cc(C[NH+](C)C)ccn2)C1 ZINC000435818790 981044240 /nfs/dbraw/zinc/04/42/40/981044240.db2.gz NWMMRSRWBZGVLW-UHFFFAOYSA-N 2 0 405.546 3.503 20 10 HHCDRP CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000435861748 981064050 /nfs/dbraw/zinc/06/40/50/981064050.db2.gz WDUNEQDQLRGMRA-NRFANRHFSA-N 2 0 422.617 3.885 20 10 HHCDRP CC(C)[NH+]1CCc2c(c3ccccc3n2CC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC000444148343 986333411 /nfs/dbraw/zinc/33/34/11/986333411.db2.gz SZTIJQVSETVOEB-FQEVSTJZSA-N 2 0 410.606 3.644 20 10 HHCDRP CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC(CC[NH+](C)C)CC2)C1 ZINC000444239288 986430502 /nfs/dbraw/zinc/43/05/02/986430502.db2.gz MDDIGKBZGQHRJC-UHFFFAOYSA-N 2 0 410.606 3.598 20 10 HHCDRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)Cn2c3ccccc3c3c2CC[NH+](C(C)C)C3)C1 ZINC000444251367 986446637 /nfs/dbraw/zinc/44/66/37/986446637.db2.gz SXYSUPKTKGFYPO-FQEVSTJZSA-N 2 0 410.606 3.598 20 10 HHCDRP CC[NH+]1CCC(CCNC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)CC1 ZINC000444252593 986447319 /nfs/dbraw/zinc/44/73/19/986447319.db2.gz WJWNCFDRQPULHT-UHFFFAOYSA-N 2 0 410.606 3.646 20 10 HHCDRP CCOc1ccc(O)c(C[NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)c1 ZINC000237077468 970218936 /nfs/dbraw/zinc/21/89/36/970218936.db2.gz MBHKIFZGKMHJHJ-UHFFFAOYSA-N 2 0 423.479 3.851 20 10 HHCDRP CN(C)c1ccc(C[NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)cc1 ZINC000237233553 970245508 /nfs/dbraw/zinc/24/55/08/970245508.db2.gz PIKHMRPHYNLZHT-UHFFFAOYSA-N 2 0 406.496 3.813 20 10 HHCDRP CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000435867009 981066626 /nfs/dbraw/zinc/06/66/26/981066626.db2.gz JTZZBWULJLJCNW-NRFANRHFSA-N 2 0 422.617 3.885 20 10 HHCDRP CC(C)[NH+]1CCc2c(c3ccccc3n2CC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC000444148344 986333301 /nfs/dbraw/zinc/33/33/01/986333301.db2.gz SZTIJQVSETVOEB-HXUWFJFHSA-N 2 0 410.606 3.644 20 10 HHCDRP CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@H]2CCCC[NH+]2C2CC2)C1 ZINC000444284898 986473256 /nfs/dbraw/zinc/47/32/56/986473256.db2.gz VHUJDBHPWWZAMT-HXUWFJFHSA-N 2 0 408.590 3.541 20 10 HHCDRP CCOc1cccc(C[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](CC)CC2)c1O ZINC000236930432 970189863 /nfs/dbraw/zinc/18/98/63/970189863.db2.gz DRZHXHZODRRJTN-QGZVFWFLSA-N 2 0 401.526 3.923 20 10 HHCDRP CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCc2ccc(C[NH+](C)C)cc2)C1 ZINC000443917130 986119034 /nfs/dbraw/zinc/11/90/34/986119034.db2.gz QIZGGCZQMLXFKJ-UHFFFAOYSA-N 2 0 418.585 3.786 20 10 HHCDRP CC[N@@H+]1CC[C@@H](N(C)C(=O)Cn2c3ccccc3c3c2CC[NH+](C(C)C)C3)C[C@@H]1C ZINC000444254459 986451005 /nfs/dbraw/zinc/45/10/05/986451005.db2.gz SWQMWLIYRNUYKH-VQTJNVASSA-N 2 0 410.606 3.739 20 10 HHCDRP CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCCCCC[NH+]2CCCC2)C1 ZINC000508214491 1002746091 /nfs/dbraw/zinc/74/60/91/1002746091.db2.gz FBCZMIYXPSHKSI-UHFFFAOYSA-N 2 0 410.606 3.790 20 10 HHCDRP COc1ccc(N2CCC([NH2+]Cc3ccccc3N(C)C3CC[NH+](C)CC3)CC2)cc1 ZINC000237572550 970314986 /nfs/dbraw/zinc/31/49/86/970314986.db2.gz WIQDZDQEDBXTSM-UHFFFAOYSA-N 2 0 422.617 3.984 20 10 HHCDRP 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 1071806432 /nfs/dbraw/zinc/80/64/32/1071806432.db2.gz OGTUDGRNCZYCEY-KRWDZBQOSA-N 2 0 403.611 3.664 20 10 HHCDRP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C[NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000237100653 970222360 /nfs/dbraw/zinc/22/23/60/970222360.db2.gz UPTDJFLPLHDMKE-UHFFFAOYSA-N 2 0 405.464 3.682 20 10 HHCDRP CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCc2cccc(C[NH+](C)C)c2)C1 ZINC000443911933 986111662 /nfs/dbraw/zinc/11/16/62/986111662.db2.gz ZJCWLABJPHUQGE-UHFFFAOYSA-N 2 0 418.585 3.786 20 10 HHCDRP CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000444238580 986429230 /nfs/dbraw/zinc/42/92/30/986429230.db2.gz ADURYOHIGKXBMZ-UHFFFAOYSA-N 2 0 422.617 3.931 20 10 HHCDRP CCOc1ccc(O)c(C[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](CC)CC2)c1 ZINC000237090391 970220418 /nfs/dbraw/zinc/22/04/18/970220418.db2.gz DAXVWXRXINFUAS-QGZVFWFLSA-N 2 0 401.526 3.923 20 10 HHCDRP CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC000444250013 986444317 /nfs/dbraw/zinc/44/43/17/986444317.db2.gz JNMISSSJFVIULT-IHWFROFDSA-N 2 0 408.590 3.539 20 10 HHCDRP CC[N@@H+]1CC[C@@H](N(C)C(=O)Cn2c3ccccc3c3c2CC[NH+](C(C)C)C3)C[C@H]1C ZINC000444254460 986451257 /nfs/dbraw/zinc/45/12/57/986451257.db2.gz SWQMWLIYRNUYKH-WOJBJXKFSA-N 2 0 410.606 3.739 20 10 HHCDRP CCOc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](CC)CC2)c(O)c1 ZINC000729682886 1071803406 /nfs/dbraw/zinc/80/34/06/1071803406.db2.gz GWHZDFXFGSSOFW-QGZVFWFLSA-N 2 0 401.526 3.923 20 10 HHCDRP CCOc1cccc(C[NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)c1O ZINC000236907720 970188200 /nfs/dbraw/zinc/18/82/00/970188200.db2.gz NTXRJLXRNSNMLB-UHFFFAOYSA-N 2 0 423.479 3.851 20 10 HHCDRP CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@H](c2ccsc2)[NH+](C)C)C1 ZINC000443953238 986160746 /nfs/dbraw/zinc/16/07/46/986160746.db2.gz RPSDFULGHPBSJW-HSZRJFAPSA-N 2 0 424.614 3.888 20 10 HHCDRP CCC[N@H+](C)C[C@H]1CCN(C(=O)Cn2c3ccccc3c3c2CC[NH+](C(C)C)C3)C1 ZINC000444251369 986446467 /nfs/dbraw/zinc/44/64/67/986446467.db2.gz SXYSUPKTKGFYPO-HXUWFJFHSA-N 2 0 410.606 3.598 20 10 HHCDRP CC[N@@H+]1CC[C@H](N(C)C(=O)Cn2c3ccccc3c3c2CC[NH+](C(C)C)C3)C[C@H]1C ZINC000444254458 986451295 /nfs/dbraw/zinc/45/12/95/986451295.db2.gz SWQMWLIYRNUYKH-UXHICEINSA-N 2 0 410.606 3.739 20 10 HHCDRP Oc1ccc(-c2ccccc2)cc1C[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000729679115 1071797874 /nfs/dbraw/zinc/79/78/74/1071797874.db2.gz DENYJNYOBAZTNS-UHFFFAOYSA-N 2 0 417.557 3.541 20 10 HHCDRP CN(Cc1ccccc1N(C)C1CC[NH+](C)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000761222838 1075656300 /nfs/dbraw/zinc/65/63/00/1075656300.db2.gz NFSPQCCDASWDTL-UHFFFAOYSA-N 2 0 410.606 3.794 20 10 HHCDRP CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@H](c2cccs2)[NH+](C)C)C1 ZINC000443919048 986122724 /nfs/dbraw/zinc/12/27/24/986122724.db2.gz HMZOIXARJPUBDX-JOCHJYFZSA-N 2 0 424.614 3.888 20 10 HHCDRP CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000477947982 998675403 /nfs/dbraw/zinc/67/54/03/998675403.db2.gz TWHFCFQBNNKPCY-UHFFFAOYSA-N 2 0 408.590 3.541 20 10 HHCDRP CCC[NH+]1CCC(N(C)C(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)CC1 ZINC000444024058 986217910 /nfs/dbraw/zinc/21/79/10/986217910.db2.gz WHLPDRXIFQWXPK-UHFFFAOYSA-N 2 0 410.606 3.741 20 10 HHCDRP CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000444188435 986366216 /nfs/dbraw/zinc/36/62/16/986366216.db2.gz UIWYJUGVUYKVOM-LJQANCHMSA-N 2 0 408.590 3.541 20 10 HHCDRP CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)C1 ZINC000444250721 986445433 /nfs/dbraw/zinc/44/54/33/986445433.db2.gz SCEGDOJTTBPAHG-OAQYLSRUSA-N 2 0 422.617 3.742 20 10 HHCDRP CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@@H]2CCCC[NH+]2C2CC2)C1 ZINC000444284897 986472950 /nfs/dbraw/zinc/47/29/50/986472950.db2.gz VHUJDBHPWWZAMT-FQEVSTJZSA-N 2 0 408.590 3.541 20 10 HHCDRP Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3ccc(N4CCOCC4)cc3)CC2)c1 ZINC000237856300 970382426 /nfs/dbraw/zinc/38/24/26/970382426.db2.gz ULMGUMIRNUFVIB-UHFFFAOYSA-N 2 0 422.617 3.524 20 10 HHCDRP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)Cn1c3ccccc3c3c1CC[NH+](C(C)C)C3)CC2 ZINC000435813728 981041660 /nfs/dbraw/zinc/04/16/60/981041660.db2.gz LZPLQSUIXRUGRA-RTWAWAEBSA-N 2 0 422.617 3.882 20 10 HHCDRP CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000444236457 986425815 /nfs/dbraw/zinc/42/58/15/986425815.db2.gz KEKLMYVFKVPHBN-UHFFFAOYSA-N 2 0 422.617 3.742 20 10 HHCDRP CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCC(C)(C)C[NH+]2CCCC2)C1 ZINC000435975051 981125463 /nfs/dbraw/zinc/12/54/63/981125463.db2.gz RZYQAGKYOYWHIF-UHFFFAOYSA-N 2 0 410.606 3.646 20 10 HHCDRP COc1ccc(N2CCC([NH2+]Cc3ccc(OCC[NH+]4CCCC4)cc3)CC2)cc1 ZINC000237574417 970315853 /nfs/dbraw/zinc/31/58/53/970315853.db2.gz BBDVTVRMYGODJB-UHFFFAOYSA-N 2 0 409.574 3.928 20 10 HHCDRP CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC([NH+]3CCCCC3)CC2)C1 ZINC000444025287 986220021 /nfs/dbraw/zinc/22/00/21/986220021.db2.gz OYQMPBIGNAWPMQ-UHFFFAOYSA-N 2 0 422.617 3.885 20 10 HHCDRP