smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1cccc(Cl)c1O ZINC000159731164 1126752207 /nfs/dbraw/zinc/75/22/07/1126752207.db2.gz VKCBJVPCCLBIAJ-CYBMUJFWSA-N 2 2 298.858 3.646 20 10 CHCDLP CC[C@H]([NH3+])C[N@@H+](C)Cc1cc(Cl)c(C(C)(C)C)cc1O ZINC001236884139 1131027137 /nfs/dbraw/zinc/02/71/37/1131027137.db2.gz MQZQMZSMYWOPFI-LBPRGKRZSA-N 2 2 298.858 3.512 20 10 CHCDLP CC[C@H]([NH2+]CCCCCC[NH3+])c1cccc(Cl)c1O ZINC000843342696 1121323921 /nfs/dbraw/zinc/32/39/21/1121323921.db2.gz SGCOAXMFWIMOKL-AWEZNQCLSA-N 2 2 284.831 3.605 20 10 CHCDLP Cc1ccc([C@@H](C)[NH2+]CCCNc2cccc[nH+]2)c(O)c1C ZINC000273608513 1122240503 /nfs/dbraw/zinc/24/05/03/1122240503.db2.gz UYIIVZJSDXQION-OAHLLOKOSA-N 2 2 299.418 3.557 20 10 CHCDLP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cc(Cl)ccc1O ZINC000775508586 1122631132 /nfs/dbraw/zinc/63/11/32/1122631132.db2.gz CXXAVNUGYSNANV-LNSITVRQSA-N 2 2 296.842 3.569 20 10 CHCDLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cc(Cl)ccc1O ZINC000775508586 1122631135 /nfs/dbraw/zinc/63/11/35/1122631135.db2.gz CXXAVNUGYSNANV-LNSITVRQSA-N 2 2 296.842 3.569 20 10 CHCDLP CC[C@H]([NH3+])C[N@H+](C)Cc1cc(Cl)c(C(C)(C)C)cc1O ZINC001236884139 1131027131 /nfs/dbraw/zinc/02/71/31/1131027131.db2.gz MQZQMZSMYWOPFI-LBPRGKRZSA-N 2 2 298.858 3.512 20 10 CHCDLP COc1ccc([N@H+](CCCn2cc[nH+]c2C)CC2CC2)cc1 ZINC000831587504 1131491494 /nfs/dbraw/zinc/49/14/94/1131491494.db2.gz BWTUDJVINBRWHN-UHFFFAOYSA-N 2 2 299.418 3.507 20 10 CHCDLP COc1ccc([N@@H+](CCCn2cc[nH+]c2C)CC2CC2)cc1 ZINC000831587504 1131491496 /nfs/dbraw/zinc/49/14/96/1131491496.db2.gz BWTUDJVINBRWHN-UHFFFAOYSA-N 2 2 299.418 3.507 20 10 CHCDLP Cc1ccc(O)c(C[NH2+]C[C@H]([NH3+])c2ccc(C(C)C)cc2)c1 ZINC000841037391 1132322768 /nfs/dbraw/zinc/32/27/68/1132322768.db2.gz PFFWWIWWJWLQQV-SFHVURJKSA-N 2 2 298.430 3.614 20 10 CHCDLP CC[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccccc1O ZINC000155601175 261104816 /nfs/dbraw/zinc/10/48/16/261104816.db2.gz BAKGDJQYUMJCGT-MRXNPFEDSA-N 2 2 299.418 3.720 20 10 CHCDLP Cc1ccc(O)c([C@H](C)[NH2+]CCCCNc2cccc[nH+]2)c1 ZINC000185325398 262050817 /nfs/dbraw/zinc/05/08/17/262050817.db2.gz PRXFICFHYRKVGX-HNNXBMFYSA-N 2 2 299.418 3.639 20 10 CHCDLP CC[C@H]([NH2+]C1CC[NH+](CC)CC1)c1cccc(Cl)c1O ZINC000286973358 1127278004 /nfs/dbraw/zinc/27/80/04/1127278004.db2.gz NXECZOIRXGPBIC-HNNXBMFYSA-N 2 2 296.842 3.571 20 10 CHCDLP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CC)c1cc(Cl)ccc1O ZINC000775482814 1122615102 /nfs/dbraw/zinc/61/51/02/1122615102.db2.gz CCIOFTJAYDIHGF-UKRRQHHQSA-N 2 2 296.842 3.571 20 10 CHCDLP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CC)c1cc(Cl)ccc1O ZINC000775482814 1122615104 /nfs/dbraw/zinc/61/51/04/1122615104.db2.gz CCIOFTJAYDIHGF-UKRRQHHQSA-N 2 2 296.842 3.571 20 10 CHCDLP CC[C@@H]([NH2+]C1CC[NH+](CC)CC1)c1cc(Cl)ccc1O ZINC000775484700 1122616799 /nfs/dbraw/zinc/61/67/99/1122616799.db2.gz HNQAKHWIJAISKN-OAHLLOKOSA-N 2 2 296.842 3.571 20 10 CHCDLP CC[C@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)c1cc(Cl)ccc1O ZINC000775509464 1122633100 /nfs/dbraw/zinc/63/31/00/1122633100.db2.gz STDVXJOOFSFBTI-DOMZBBRYSA-N 2 2 296.842 3.571 20 10 CHCDLP CC[C@H]([NH2+]CC[N@H+]1CCC[C@H]1C)c1cc(Cl)ccc1O ZINC000775509464 1122633103 /nfs/dbraw/zinc/63/31/03/1122633103.db2.gz STDVXJOOFSFBTI-DOMZBBRYSA-N 2 2 296.842 3.571 20 10 CHCDLP C[C@@H](CCC(C)(C)C)[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817943902 1131188522 /nfs/dbraw/zinc/18/85/22/1131188522.db2.gz WMASLHBETVJXLO-YOEHRIQHSA-N 2 2 291.483 3.557 20 10 CHCDLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc2ccccc2c1O ZINC000817981184 1131195120 /nfs/dbraw/zinc/19/51/20/1131195120.db2.gz HAIMYTFRIHNNFY-ACJLOTCBSA-N 2 2 298.430 3.714 20 10 CHCDLP Cc1cccc(C[NH2+]C[C@@H]([NH3+])c2ccc(C(C)C)cc2)c1O ZINC000841034258 1132321207 /nfs/dbraw/zinc/32/12/07/1132321207.db2.gz BXCCGOVJAVLVMK-GOSISDBHSA-N 2 2 298.430 3.614 20 10 CHCDLP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2ccc(Cl)cc2O)CC1 ZINC000841759064 1132394927 /nfs/dbraw/zinc/39/49/27/1132394927.db2.gz NGVSZKDSAUSVLI-LBPRGKRZSA-N 2 2 296.842 3.569 20 10 CHCDLP Cc1cc(C)c([C@H](C)[NH2+]CCCNc2cccc[nH+]2)c(O)c1 ZINC000788623392 1130198255 /nfs/dbraw/zinc/19/82/55/1130198255.db2.gz FGJZPZLDIGGDBL-HNNXBMFYSA-N 2 2 299.418 3.557 20 10 CHCDLP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000817957540 1131191316 /nfs/dbraw/zinc/19/13/16/1131191316.db2.gz CRVAWRICIIVTHS-HIFRSBDPSA-N 2 2 286.419 3.569 20 10 CHCDLP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000817957542 1131191456 /nfs/dbraw/zinc/19/14/56/1131191456.db2.gz CRVAWRICIIVTHS-ZFWWWQNUSA-N 2 2 286.419 3.569 20 10 CHCDLP CC[C@@H]([NH2+][C@H](C)CCCC[NH3+])c1cccc(Cl)c1O ZINC000817975785 1131193736 /nfs/dbraw/zinc/19/37/36/1131193736.db2.gz BNSRCXRDPLCGTO-BXUZGUMPSA-N 2 2 284.831 3.604 20 10 CHCDLP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc2ccccc2c1O ZINC000817981191 1131195486 /nfs/dbraw/zinc/19/54/86/1131195486.db2.gz HAIMYTFRIHNNFY-UGSOOPFHSA-N 2 2 298.430 3.714 20 10 CHCDLP CC[C@H](C[NH2+][C@H](CC)c1ccc(C)cc1O)[NH+]1CCCC1 ZINC000794797002 1123949795 /nfs/dbraw/zinc/94/97/95/1123949795.db2.gz LPKLNEDHEKQQBB-NVXWUHKLSA-N 2 2 290.451 3.616 20 10 CHCDLP CC[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(C)cc1O ZINC000794810184 1123955942 /nfs/dbraw/zinc/95/59/42/1123955942.db2.gz JSGCBKHVLYGQKX-MRXNPFEDSA-N 2 2 299.418 3.639 20 10 CHCDLP CC[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1cccc(Cl)c1O ZINC000817938603 1131188073 /nfs/dbraw/zinc/18/80/73/1131188073.db2.gz OFWGSEAZXOXIJD-CQSZACIVSA-N 2 2 296.842 3.748 20 10 CHCDLP CC[C@H]([NH2+]CC([NH3+])(CC)CC)c1cccc(Cl)c1O ZINC000817959696 1131191407 /nfs/dbraw/zinc/19/14/07/1131191407.db2.gz GRTYGHPMEMJUPL-ZDUSSCGKSA-N 2 2 284.831 3.604 20 10 CHCDLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CC)c1cc(Cl)ccc1O ZINC000775482812 1122615161 /nfs/dbraw/zinc/61/51/61/1122615161.db2.gz CCIOFTJAYDIHGF-DZGCQCFKSA-N 2 2 296.842 3.571 20 10 CHCDLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CC)c1cc(Cl)ccc1O ZINC000775482812 1122615163 /nfs/dbraw/zinc/61/51/63/1122615163.db2.gz CCIOFTJAYDIHGF-DZGCQCFKSA-N 2 2 296.842 3.571 20 10 CHCDLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CC)c1cc(Cl)ccc1O ZINC000775482813 1122615714 /nfs/dbraw/zinc/61/57/14/1122615714.db2.gz CCIOFTJAYDIHGF-HIFRSBDPSA-N 2 2 296.842 3.571 20 10 CHCDLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1CC)c1cc(Cl)ccc1O ZINC000775482813 1122615716 /nfs/dbraw/zinc/61/57/16/1122615716.db2.gz CCIOFTJAYDIHGF-HIFRSBDPSA-N 2 2 296.842 3.571 20 10 CHCDLP CC[C@H]([NH2+]C1CC[NH+](CC)CC1)c1cc(Cl)ccc1O ZINC000775484699 1122616960 /nfs/dbraw/zinc/61/69/60/1122616960.db2.gz HNQAKHWIJAISKN-HNNXBMFYSA-N 2 2 296.842 3.571 20 10 CHCDLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000021300938 1124911083 /nfs/dbraw/zinc/91/10/83/1124911083.db2.gz GXHQODOJEUVJCW-GOEBONIOSA-N 2 2 298.430 3.680 20 10 CHCDLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000021300938 1124911088 /nfs/dbraw/zinc/91/10/88/1124911088.db2.gz GXHQODOJEUVJCW-GOEBONIOSA-N 2 2 298.430 3.680 20 10 CHCDLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000248527202 1129420241 /nfs/dbraw/zinc/42/02/41/1129420241.db2.gz GXHQODOJEUVJCW-GDBMZVCRSA-N 2 2 298.430 3.680 20 10 CHCDLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000248527202 1129420244 /nfs/dbraw/zinc/42/02/44/1129420244.db2.gz GXHQODOJEUVJCW-GDBMZVCRSA-N 2 2 298.430 3.680 20 10 CHCDLP C[C@H](CCC(C)(C)C)[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817943900 1131187755 /nfs/dbraw/zinc/18/77/55/1131187755.db2.gz WMASLHBETVJXLO-RHSMWYFYSA-N 2 2 291.483 3.557 20 10 CHCDLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000817953403 1131190296 /nfs/dbraw/zinc/19/02/96/1131190296.db2.gz MXSDVMPWIABDOC-KDOFPFPSSA-N 2 2 298.430 3.866 20 10 CHCDLP CC[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])c1cccc(Cl)c1O ZINC000817960641 1131193046 /nfs/dbraw/zinc/19/30/46/1131193046.db2.gz ONGWKWJENMMPBO-CQDKDKBSSA-N 2 2 296.842 3.604 20 10 CHCDLP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccc2ccccc2c1O ZINC000817981189 1131195666 /nfs/dbraw/zinc/19/56/66/1131195666.db2.gz HAIMYTFRIHNNFY-SCLBCKFNSA-N 2 2 298.430 3.714 20 10 CHCDLP Cc1cccc(C[NH2+]C[C@H]([NH3+])c2ccc(C(C)C)cc2)c1O ZINC000841034260 1132322238 /nfs/dbraw/zinc/32/22/38/1132322238.db2.gz BXCCGOVJAVLVMK-SFHVURJKSA-N 2 2 298.430 3.614 20 10 CHCDLP CC[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1cccc(Cl)c1O ZINC000873239102 1124754044 /nfs/dbraw/zinc/75/40/44/1124754044.db2.gz NUNYSFPKJZAGND-LALPHHSUSA-N 2 2 296.842 3.604 20 10 CHCDLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000817953405 1131190692 /nfs/dbraw/zinc/19/06/92/1131190692.db2.gz MXSDVMPWIABDOC-RDTXWAMCSA-N 2 2 298.430 3.866 20 10 CHCDLP CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1cccc(Cl)c1O ZINC000817960640 1131192174 /nfs/dbraw/zinc/19/21/74/1131192174.db2.gz ONGWKWJENMMPBO-BYCMXARLSA-N 2 2 296.842 3.604 20 10 CHCDLP CC[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1cccc(Cl)c1O ZINC000817979770 1131194876 /nfs/dbraw/zinc/19/48/76/1131194876.db2.gz FCBOZYKVWGTIJU-IUODEOHRSA-N 2 2 296.842 3.619 20 10 CHCDLP Cc1ccc([C@@H](C)[NH2+]CCCCNc2cccc[nH+]2)c(O)c1 ZINC000185325731 262050868 /nfs/dbraw/zinc/05/08/68/262050868.db2.gz BDOSLJYMSDUQBW-OAHLLOKOSA-N 2 2 299.418 3.639 20 10 CHCDLP CC[C@@H]([NH2+]C1CC[NH+](CC)CC1)c1cccc(Cl)c1O ZINC000286973363 1127278246 /nfs/dbraw/zinc/27/82/46/1127278246.db2.gz NXECZOIRXGPBIC-OAHLLOKOSA-N 2 2 296.842 3.571 20 10 CHCDLP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(Cl)cc1O ZINC000841743483 1132387569 /nfs/dbraw/zinc/38/75/69/1132387569.db2.gz HPQCPFWSOWMJCS-CYBMUJFWSA-N 2 2 296.842 3.572 20 10 CHCDLP CC(C)[NH+]1CCC([NH2+][C@H](C)c2cc(Cl)ccc2O)CC1 ZINC000185881314 1126905426 /nfs/dbraw/zinc/90/54/26/1126905426.db2.gz BKSHQFHJJBRTGC-GFCCVEGCSA-N 2 2 296.842 3.569 20 10 CHCDLP CC[C@H]([NH2+][C@H](C)CCCC[NH3+])c1cccc(Cl)c1O ZINC000817975787 1131194358 /nfs/dbraw/zinc/19/43/58/1131194358.db2.gz BNSRCXRDPLCGTO-RISCZKNCSA-N 2 2 284.831 3.604 20 10 CHCDLP Cc1cc(C)c([C@@H](C)[NH2+]CCCNc2cccc[nH+]2)c(O)c1 ZINC000788623541 1130197788 /nfs/dbraw/zinc/19/77/88/1130197788.db2.gz FGJZPZLDIGGDBL-OAHLLOKOSA-N 2 2 299.418 3.557 20 10 CHCDLP CCCC[C@@H](C[NH3+])[NH2+][C@@H](CC)c1cccc(Cl)c1O ZINC000817963702 1131192863 /nfs/dbraw/zinc/19/28/63/1131192863.db2.gz XENVGSXPEBFCAN-FZMZJTMJSA-N 2 2 284.831 3.604 20 10 CHCDLP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000817962244 1131192888 /nfs/dbraw/zinc/19/28/88/1131192888.db2.gz JUWINJSGYVBXRE-UKRRQHHQSA-N 2 2 286.419 3.714 20 10 CHCDLP CC[C@@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)c1cc(Cl)ccc1O ZINC000775509610 1122633328 /nfs/dbraw/zinc/63/33/28/1122633328.db2.gz STDVXJOOFSFBTI-SWLSCSKDSA-N 2 2 296.842 3.571 20 10 CHCDLP CC[C@@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)c1cc(Cl)ccc1O ZINC000775509610 1122633330 /nfs/dbraw/zinc/63/33/30/1122633330.db2.gz STDVXJOOFSFBTI-SWLSCSKDSA-N 2 2 296.842 3.571 20 10 CHCDLP CC(C)[NH+]1CCC([NH2+][C@H](C)c2ccc(Cl)cc2O)CC1 ZINC000841759063 1132394860 /nfs/dbraw/zinc/39/48/60/1132394860.db2.gz NGVSZKDSAUSVLI-GFCCVEGCSA-N 2 2 296.842 3.569 20 10 CHCDLP CC(C)[N@H+](Cc1ccc2ccccc2c1O)[C@@H]1CCC[NH2+]C1 ZINC001236469361 1130949005 /nfs/dbraw/zinc/94/90/05/1130949005.db2.gz WRGIMWSNGKVFCR-QGZVFWFLSA-N 2 2 298.430 3.508 20 10 CHCDLP CC(C)[N@@H+](Cc1ccc2ccccc2c1O)[C@@H]1CCC[NH2+]C1 ZINC001236469361 1130949008 /nfs/dbraw/zinc/94/90/08/1130949008.db2.gz WRGIMWSNGKVFCR-QGZVFWFLSA-N 2 2 298.430 3.508 20 10 CHCDLP Cc1ccc(O)c([C@@H](C)[NH2+]CCCCNc2cccc[nH+]2)c1 ZINC000185325383 262050631 /nfs/dbraw/zinc/05/06/31/262050631.db2.gz PRXFICFHYRKVGX-OAHLLOKOSA-N 2 2 299.418 3.639 20 10 CHCDLP CCCC[C@@H](C[NH3+])[NH2+][C@H](CC)c1cccc(Cl)c1O ZINC000817963706 1131192164 /nfs/dbraw/zinc/19/21/64/1131192164.db2.gz XENVGSXPEBFCAN-SMDDNHRTSA-N 2 2 284.831 3.604 20 10 CHCDLP CC[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1cccc(Cl)c1O ZINC000817975788 1131193640 /nfs/dbraw/zinc/19/36/40/1131193640.db2.gz BNSRCXRDPLCGTO-SMDDNHRTSA-N 2 2 284.831 3.604 20 10 CHCDLP CC[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1cccc(Cl)c1O ZINC000817979772 1131194758 /nfs/dbraw/zinc/19/47/58/1131194758.db2.gz FCBOZYKVWGTIJU-SWLSCSKDSA-N 2 2 296.842 3.619 20 10 CHCDLP Cc1ccc(O)c(C[NH2+]C[C@@H]([NH3+])c2ccc(C(C)C)cc2)c1 ZINC000841037390 1132323292 /nfs/dbraw/zinc/32/32/92/1132323292.db2.gz PFFWWIWWJWLQQV-GOSISDBHSA-N 2 2 298.430 3.614 20 10 CHCDLP CC[C@@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)c1cc(Cl)ccc1O ZINC000775509466 1122633170 /nfs/dbraw/zinc/63/31/70/1122633170.db2.gz STDVXJOOFSFBTI-IUODEOHRSA-N 2 2 296.842 3.571 20 10 CHCDLP CC[C@@H]([NH2+]CC[N@H+]1CCC[C@H]1C)c1cc(Cl)ccc1O ZINC000775509466 1122633176 /nfs/dbraw/zinc/63/31/76/1122633176.db2.gz STDVXJOOFSFBTI-IUODEOHRSA-N 2 2 296.842 3.571 20 10 CHCDLP CC[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccccc1O ZINC000155601059 261104809 /nfs/dbraw/zinc/10/48/09/261104809.db2.gz BAKGDJQYUMJCGT-INIZCTEOSA-N 2 2 299.418 3.720 20 10 CHCDLP CC[C@@H](c1cccc(Cl)c1O)[NH+]1CCC([NH3+])(CC)CC1 ZINC000925759805 1128141213 /nfs/dbraw/zinc/14/12/13/1128141213.db2.gz MFKDWFFGQOAYIE-AWEZNQCLSA-N 2 2 296.842 3.700 20 10 CHCDLP CC[C@@H](C[NH2+][C@@H](CC)c1ccc(C)cc1O)[NH+]1CCCC1 ZINC000794797030 1123949781 /nfs/dbraw/zinc/94/97/81/1123949781.db2.gz LPKLNEDHEKQQBB-RDJZCZTQSA-N 2 2 290.451 3.616 20 10 CHCDLP CC[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1cccc(Cl)c1O ZINC000817960643 1131192331 /nfs/dbraw/zinc/19/23/31/1131192331.db2.gz ONGWKWJENMMPBO-UGFHNGPFSA-N 2 2 296.842 3.604 20 10 CHCDLP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1cc(Cl)ccc1O ZINC000775508589 1122630731 /nfs/dbraw/zinc/63/07/31/1122630731.db2.gz CXXAVNUGYSNANV-WHOFXGATSA-N 2 2 296.842 3.569 20 10 CHCDLP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cc(Cl)ccc1O ZINC000775508589 1122630734 /nfs/dbraw/zinc/63/07/34/1122630734.db2.gz CXXAVNUGYSNANV-WHOFXGATSA-N 2 2 296.842 3.569 20 10 CHCDLP CC(C)[NH2+]c1ccc(Nc2cc[nH+]c(N(C)C)c2)cc1 ZINC001201491079 1123109426 /nfs/dbraw/zinc/10/94/26/1123109426.db2.gz LOKIRYZKTKJLQF-UHFFFAOYSA-N 2 2 270.380 3.712 20 10 CHCDLP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000817957541 1131191509 /nfs/dbraw/zinc/19/15/09/1131191509.db2.gz CRVAWRICIIVTHS-UKRRQHHQSA-N 2 2 286.419 3.569 20 10 CHCDLP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000817962243 1131192188 /nfs/dbraw/zinc/19/21/88/1131192188.db2.gz JUWINJSGYVBXRE-HIFRSBDPSA-N 2 2 286.419 3.714 20 10 CHCDLP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000817962245 1131193053 /nfs/dbraw/zinc/19/30/53/1131193053.db2.gz JUWINJSGYVBXRE-ZFWWWQNUSA-N 2 2 286.419 3.714 20 10 CHCDLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC000817953402 1131190626 /nfs/dbraw/zinc/19/06/26/1131190626.db2.gz MXSDVMPWIABDOC-KBXCAEBGSA-N 2 2 298.430 3.866 20 10 CHCDLP C[C@@H]([NH2+][C@@H](C)[C@@H](c1ccccc1)[NH+](C)C)c1ccccc1O ZINC000186319901 262089014 /nfs/dbraw/zinc/08/90/14/262089014.db2.gz AKYNZHLOOOEVAO-VCBZYWHSSA-N 2 2 298.430 3.734 20 10 CHCDLP CC[C@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)c1cc(Cl)ccc1O ZINC000775509611 1122633340 /nfs/dbraw/zinc/63/33/40/1122633340.db2.gz STDVXJOOFSFBTI-WFASDCNBSA-N 2 2 296.842 3.571 20 10 CHCDLP CC[C@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)c1cc(Cl)ccc1O ZINC000775509611 1122633344 /nfs/dbraw/zinc/63/33/44/1122633344.db2.gz STDVXJOOFSFBTI-WFASDCNBSA-N 2 2 296.842 3.571 20 10 CHCDLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC000817953404 1131190663 /nfs/dbraw/zinc/19/06/63/1131190663.db2.gz MXSDVMPWIABDOC-KSSFIOAISA-N 2 2 298.430 3.866 20 10 CHCDLP CC(C)[NH2+]c1ccc(Nc2ccc3c(c2)CC[NH2+]CC3)cc1 ZINC001159679165 1132890795 /nfs/dbraw/zinc/89/07/95/1132890795.db2.gz OJJOUIHVPJRINR-UHFFFAOYSA-N 2 2 295.430 3.939 20 10 CHCDLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CC)c1cc(Cl)ccc1O ZINC000775482815 1122615346 /nfs/dbraw/zinc/61/53/46/1122615346.db2.gz CCIOFTJAYDIHGF-ZFWWWQNUSA-N 2 2 296.842 3.571 20 10 CHCDLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CC)c1cc(Cl)ccc1O ZINC000775482815 1122615349 /nfs/dbraw/zinc/61/53/49/1122615349.db2.gz CCIOFTJAYDIHGF-ZFWWWQNUSA-N 2 2 296.842 3.571 20 10 CHCDLP CC[C@H]([NH2+]CC1([NH3+])CCCCC1)c1cccc(Cl)c1O ZINC000817938602 1131188183 /nfs/dbraw/zinc/18/81/83/1131188183.db2.gz OFWGSEAZXOXIJD-AWEZNQCLSA-N 2 2 296.842 3.748 20 10 CHCDLP C[C@H](CCC(C)(C)C)[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817943899 1131188272 /nfs/dbraw/zinc/18/82/72/1131188272.db2.gz WMASLHBETVJXLO-PBHICJAKSA-N 2 2 291.483 3.557 20 10 CHCDLP Cc1ccc([C@H](C)[NH2+]CCCNc2cccc[nH+]2)c(O)c1C ZINC000273608512 1122240301 /nfs/dbraw/zinc/24/03/01/1122240301.db2.gz UYIIVZJSDXQION-HNNXBMFYSA-N 2 2 299.418 3.557 20 10 CHCDLP Cc1ccc(C)n1-c1ccc([NH2+]CCCC[NH+](C)C)cc1 ZINC001161730704 1133022953 /nfs/dbraw/zinc/02/29/53/1133022953.db2.gz AVSRRSHYPJSFSJ-UHFFFAOYSA-N 2 2 285.435 3.848 20 10 CHCDLP C[C@@H]([NH2+][C@H](C)[C@@H](c1ccccc1)[NH+](C)C)c1ccccc1O ZINC000186319941 262088767 /nfs/dbraw/zinc/08/87/67/262088767.db2.gz AKYNZHLOOOEVAO-CLCXKQKWSA-N 2 2 298.430 3.734 20 10 CHCDLP CC(C)c1ccc(O)c(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC001179850593 1121916307 /nfs/dbraw/zinc/91/63/07/1121916307.db2.gz YQTWEIQTMFWVNM-OAHLLOKOSA-N 2 2 299.418 3.618 20 10 CHCDLP CC(C)c1ccc(O)c(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC001179850593 1121916312 /nfs/dbraw/zinc/91/63/12/1121916312.db2.gz YQTWEIQTMFWVNM-OAHLLOKOSA-N 2 2 299.418 3.618 20 10 CHCDLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](CC)c1ccc(C)cc1O ZINC000797115430 1130963327 /nfs/dbraw/zinc/96/33/27/1130963327.db2.gz SXEKUJPZISCAEE-RDJZCZTQSA-N 2 2 290.451 3.616 20 10 CHCDLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](CC)c1ccc(C)cc1O ZINC000797115430 1130963329 /nfs/dbraw/zinc/96/33/29/1130963329.db2.gz SXEKUJPZISCAEE-RDJZCZTQSA-N 2 2 290.451 3.616 20 10 CHCDLP CC(C)c1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c(O)c1 ZINC001237049675 1131039892 /nfs/dbraw/zinc/03/98/92/1131039892.db2.gz RHYGEDFNWIOSOI-UHFFFAOYSA-N 2 2 299.418 3.549 20 10 CHCDLP CC[C@@H]([NH2+]C[C@H](CC)[NH+]1CCCC1)c1ccc(C)cc1O ZINC000794796999 1123949861 /nfs/dbraw/zinc/94/98/61/1123949861.db2.gz LPKLNEDHEKQQBB-DOTOQJQBSA-N 2 2 290.451 3.616 20 10 CHCDLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000248527207 1129420465 /nfs/dbraw/zinc/42/04/65/1129420465.db2.gz GXHQODOJEUVJCW-ZBFHGGJFSA-N 2 2 298.430 3.680 20 10 CHCDLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000248527207 1129420466 /nfs/dbraw/zinc/42/04/66/1129420466.db2.gz GXHQODOJEUVJCW-ZBFHGGJFSA-N 2 2 298.430 3.680 20 10 CHCDLP CC(C)[NH2+]c1ccc(Nc2ccc3c(c2)CC[NH2+]C3)cc1 ZINC001159600281 1132871054 /nfs/dbraw/zinc/87/10/54/1132871054.db2.gz GRFSWIVNRGDHIV-UHFFFAOYSA-N 2 2 281.403 3.896 20 10 CHCDLP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2cc(Cl)ccc2O)CC1 ZINC000185881297 1126905315 /nfs/dbraw/zinc/90/53/15/1126905315.db2.gz BKSHQFHJJBRTGC-LBPRGKRZSA-N 2 2 296.842 3.569 20 10 CHCDLP CC(C)c1ccc(O)c(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC001179850589 1121917084 /nfs/dbraw/zinc/91/70/84/1121917084.db2.gz YQTWEIQTMFWVNM-HNNXBMFYSA-N 2 2 299.418 3.618 20 10 CHCDLP CC(C)c1ccc(O)c(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC001179850589 1121917089 /nfs/dbraw/zinc/91/70/89/1121917089.db2.gz YQTWEIQTMFWVNM-HNNXBMFYSA-N 2 2 299.418 3.618 20 10 CHCDLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](CC)c1ccc(C)cc1O ZINC000797115428 1130962912 /nfs/dbraw/zinc/96/29/12/1130962912.db2.gz SXEKUJPZISCAEE-DOTOQJQBSA-N 2 2 290.451 3.616 20 10 CHCDLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](CC)c1ccc(C)cc1O ZINC000797115428 1130962915 /nfs/dbraw/zinc/96/29/15/1130962915.db2.gz SXEKUJPZISCAEE-DOTOQJQBSA-N 2 2 290.451 3.616 20 10 CHCDLP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(Cl)cc1O ZINC000841743484 1132387067 /nfs/dbraw/zinc/38/70/67/1132387067.db2.gz HPQCPFWSOWMJCS-ZDUSSCGKSA-N 2 2 296.842 3.572 20 10 CHCDLP Cc1ccc([C@H](C)[NH2+]CCCCNc2cccc[nH+]2)c(O)c1 ZINC000185325750 262050725 /nfs/dbraw/zinc/05/07/25/262050725.db2.gz BDOSLJYMSDUQBW-HNNXBMFYSA-N 2 2 299.418 3.639 20 10 CHCDLP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1cccc(Cl)c1O ZINC000159731299 330850777 /nfs/dbraw/zinc/85/07/77/330850777.db2.gz VKCBJVPCCLBIAJ-ZDUSSCGKSA-N 2 2 298.858 3.646 20 10 CHCDLP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000817962242 1131192808 /nfs/dbraw/zinc/19/28/08/1131192808.db2.gz JUWINJSGYVBXRE-DZGCQCFKSA-N 2 2 286.419 3.714 20 10 CHCDLP CC[C@H]([NH2+]CCc1cc[nH+]cc1C)c1ccc(C)cc1O ZINC000280016672 522602497 /nfs/dbraw/zinc/60/24/97/522602497.db2.gz HCAYVSZMZNIPBO-KRWDZBQOSA-N 2 2 284.403 3.687 20 10 CHCDLP CC[C@H](c1cccc(Cl)c1O)[NH+]1CCC([NH3+])(CC)CC1 ZINC000925759806 1128141020 /nfs/dbraw/zinc/14/10/20/1128141020.db2.gz MFKDWFFGQOAYIE-CQSZACIVSA-N 2 2 296.842 3.700 20 10 CHCDLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000021300942 1124911213 /nfs/dbraw/zinc/91/12/13/1124911213.db2.gz GXHQODOJEUVJCW-HOCLYGCPSA-N 2 2 298.430 3.680 20 10 CHCDLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000021300942 1124911217 /nfs/dbraw/zinc/91/12/17/1124911217.db2.gz GXHQODOJEUVJCW-HOCLYGCPSA-N 2 2 298.430 3.680 20 10 CHCDLP C[C@@H](CCC(C)(C)C)[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817943901 1131187888 /nfs/dbraw/zinc/18/78/88/1131187888.db2.gz WMASLHBETVJXLO-WMLDXEAASA-N 2 2 291.483 3.557 20 10 CHCDLP CCCC[C@H](C[NH3+])[NH2+][C@H](CC)c1cccc(Cl)c1O ZINC000817963700 1131192374 /nfs/dbraw/zinc/19/23/74/1131192374.db2.gz XENVGSXPEBFCAN-BXUZGUMPSA-N 2 2 284.831 3.604 20 10 CHCDLP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccc2ccccc2c1O ZINC000817981186 1131195335 /nfs/dbraw/zinc/19/53/35/1131195335.db2.gz HAIMYTFRIHNNFY-FZKQIMNGSA-N 2 2 298.430 3.714 20 10 CHCDLP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1cc(Cl)ccc1O ZINC000775508583 1122629771 /nfs/dbraw/zinc/62/97/71/1122629771.db2.gz CXXAVNUGYSNANV-KYOSRNDESA-N 2 2 296.842 3.569 20 10 CHCDLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cc(Cl)ccc1O ZINC000775508583 1122629772 /nfs/dbraw/zinc/62/97/72/1122629772.db2.gz CXXAVNUGYSNANV-KYOSRNDESA-N 2 2 296.842 3.569 20 10 CHCDLP CC[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1cccc(Cl)c1O ZINC000817960642 1131192416 /nfs/dbraw/zinc/19/24/16/1131192416.db2.gz ONGWKWJENMMPBO-TUKIKUTGSA-N 2 2 296.842 3.604 20 10 CHCDLP CCCC[C@H](C[NH3+])[NH2+][C@@H](CC)c1cccc(Cl)c1O ZINC000817963704 1131192429 /nfs/dbraw/zinc/19/24/29/1131192429.db2.gz XENVGSXPEBFCAN-RISCZKNCSA-N 2 2 284.831 3.604 20 10 CHCDLP CCC[NH+]1CCC([NH2+][C@H](C)c2ccc(Cl)cc2O)CC1 ZINC000841743497 1132387526 /nfs/dbraw/zinc/38/75/26/1132387526.db2.gz HXPJUXIPQJKZFU-GFCCVEGCSA-N 2 2 296.842 3.571 20 10 CHCDLP CC(C)[NH2+]c1ccc(Nc2cccc3c2CC[NH2+]C3)cc1 ZINC001159548016 1132860258 /nfs/dbraw/zinc/86/02/58/1132860258.db2.gz QMZDBYZIENVPKF-UHFFFAOYSA-N 2 2 281.403 3.896 20 10 CHCDLP CC(C)[NH2+]c1ccc(Nc2ccc3c(c2)C[NH2+]CCO3)cc1 ZINC001159791931 1132910115 /nfs/dbraw/zinc/91/01/15/1132910115.db2.gz YTVJPQJGQBGMEQ-UHFFFAOYSA-N 2 2 297.402 3.733 20 10 CHCDLP CC[C@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(C)cc1O ZINC000794810182 1123955797 /nfs/dbraw/zinc/95/57/97/1123955797.db2.gz JSGCBKHVLYGQKX-INIZCTEOSA-N 2 2 299.418 3.639 20 10 CHCDLP CC[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1cccc(Cl)c1O ZINC000873239101 1124754940 /nfs/dbraw/zinc/75/49/40/1124754940.db2.gz NUNYSFPKJZAGND-HUBLWGQQSA-N 2 2 296.842 3.604 20 10 CHCDLP CC(C)[NH2+]c1ccc(Nc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC001159616112 1131144746 /nfs/dbraw/zinc/14/47/46/1131144746.db2.gz PPTPBQJGXSAHIU-UHFFFAOYSA-N 2 2 281.403 3.896 20 10 CHCDLP CC[C@H]([NH2+][C@@H](C)CCCC[NH3+])c1cccc(Cl)c1O ZINC000817975786 1131193479 /nfs/dbraw/zinc/19/34/79/1131193479.db2.gz BNSRCXRDPLCGTO-FZMZJTMJSA-N 2 2 284.831 3.604 20 10 CHCDLP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(Cl)cc2O)CC1 ZINC000841743498 1132387656 /nfs/dbraw/zinc/38/76/56/1132387656.db2.gz HXPJUXIPQJKZFU-LBPRGKRZSA-N 2 2 296.842 3.571 20 10 CHCDLP CC[C@@H]([NH2+]CCCCCC[NH3+])c1cccc(Cl)c1O ZINC000843342697 1121323640 /nfs/dbraw/zinc/32/36/40/1121323640.db2.gz SGCOAXMFWIMOKL-CQSZACIVSA-N 2 2 284.831 3.605 20 10 CHCDLP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1cc(Cl)ccc1O ZINC000775508592 1122630203 /nfs/dbraw/zinc/63/02/03/1122630203.db2.gz CXXAVNUGYSNANV-ZLDLUXBVSA-N 2 2 296.842 3.569 20 10 CHCDLP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1cc(Cl)ccc1O ZINC000775508592 1122630207 /nfs/dbraw/zinc/63/02/07/1122630207.db2.gz CXXAVNUGYSNANV-ZLDLUXBVSA-N 2 2 296.842 3.569 20 10 CHCDLP CC(C)[N@H+](CC[NH3+])Cc1cc(Cl)c(C(C)(C)C)cc1O ZINC001235947139 1130811969 /nfs/dbraw/zinc/81/19/69/1130811969.db2.gz IKCOSXSSSMSJEH-UHFFFAOYSA-N 2 2 298.858 3.512 20 10 CHCDLP CC(C)[N@@H+](CC[NH3+])Cc1cc(Cl)c(C(C)(C)C)cc1O ZINC001235947139 1130811974 /nfs/dbraw/zinc/81/19/74/1130811974.db2.gz IKCOSXSSSMSJEH-UHFFFAOYSA-N 2 2 298.858 3.512 20 10 CHCDLP CC[C@@H]([NH2+]CC([NH3+])(CC)CC)c1cccc(Cl)c1O ZINC000817959695 1131191582 /nfs/dbraw/zinc/19/15/82/1131191582.db2.gz GRTYGHPMEMJUPL-CYBMUJFWSA-N 2 2 284.831 3.604 20 10 CHCDLP CC[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1cccc(Cl)c1O ZINC000817979773 1131195010 /nfs/dbraw/zinc/19/50/10/1131195010.db2.gz FCBOZYKVWGTIJU-WFASDCNBSA-N 2 2 296.842 3.619 20 10 CHCDLP CC[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1cccc(Cl)c1O ZINC000817979769 1131195498 /nfs/dbraw/zinc/19/54/98/1131195498.db2.gz FCBOZYKVWGTIJU-DOMZBBRYSA-N 2 2 296.842 3.619 20 10 CHCDLP CC[C@@H]([NH2+]CCc1cc[nH+]cc1C)c1ccc(C)cc1O ZINC000280016676 522841922 /nfs/dbraw/zinc/84/19/22/522841922.db2.gz HCAYVSZMZNIPBO-QGZVFWFLSA-N 2 2 284.403 3.687 20 10 CHCDLP CC[C@H](C[NH2+][C@@H](CC)c1ccc(C)cc1O)[NH+]1CCCC1 ZINC000794797032 1123949516 /nfs/dbraw/zinc/94/95/16/1123949516.db2.gz LPKLNEDHEKQQBB-WBVHZDCISA-N 2 2 290.451 3.616 20 10 CHCDLP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000817957539 1131191629 /nfs/dbraw/zinc/19/16/29/1131191629.db2.gz CRVAWRICIIVTHS-DZGCQCFKSA-N 2 2 286.419 3.569 20 10 CHCDLP C[C@H]([NH2+][C@@H](C)[C@@H](c1ccccc1)[NH+](C)C)c1ccccc1O ZINC000186319881 262088537 /nfs/dbraw/zinc/08/85/37/262088537.db2.gz AKYNZHLOOOEVAO-DOXZYTNZSA-N 2 2 298.430 3.734 20 10 CHCDLP C[C@@H]([NH2+][C@@H](C)c1ccccc1O)[C@@H](c1ccccc1)[NH+](C)C ZINC000186319922 262088958 /nfs/dbraw/zinc/08/89/58/262088958.db2.gz AKYNZHLOOOEVAO-KHYOSLBOSA-N 2 2 298.430 3.734 20 10 CHCDLP