smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(Cl)cc([C@H]2C[C@@H](C)C[NH2+]2)c1[O-] ZINC000003705096 342736952 /nfs/dbraw/zinc/73/69/52/342736952.db2.gz WEVQTTOBNWSSCW-RDDDGLTNSA-N 0 3 225.719 3.025 10 10 BGCEHN Cc1cc(Cl)cc([C@@H]2C[C@@H](C)C[NH2+]2)c1[O-] ZINC000003705097 188101394 /nfs/dbraw/zinc/10/13/94/188101394.db2.gz WEVQTTOBNWSSCW-HQJQHLMTSA-N 0 3 225.719 3.025 10 10 BGCEHN Cc1cc(Cl)cc([C@H]2C[C@H](C)C[NH2+]2)c1[O-] ZINC000003705098 384023367 /nfs/dbraw/zinc/02/33/67/384023367.db2.gz WEVQTTOBNWSSCW-WRWORJQWSA-N 0 3 225.719 3.025 10 10 BGCEHN Cc1cc(Cl)cc([C@@H]2C[C@H](C)C[NH2+]2)c1[O-] ZINC000003705099 384023164 /nfs/dbraw/zinc/02/31/64/384023164.db2.gz WEVQTTOBNWSSCW-CPCISQLKSA-N 0 3 225.719 3.025 10 10 BGCEHN Cc1cccc([C@H](N)c2ccc(N(C)C)cc2)c1 ZINC000011737190 179199784 /nfs/dbraw/zinc/19/97/84/179199784.db2.gz BWULBQSIASRBFF-MRXNPFEDSA-N 0 3 240.350 3.109 10 10 BGCEHN Cc1cccc([C@@H](N)c2ccc(N(C)C)cc2)c1 ZINC000011737191 179186040 /nfs/dbraw/zinc/18/60/40/179186040.db2.gz BWULBQSIASRBFF-INIZCTEOSA-N 0 3 240.350 3.109 10 10 BGCEHN Cc1ccc([C@@H](N)c2ccc(N(C)C)cc2)cc1 ZINC000011737193 178861776 /nfs/dbraw/zinc/86/17/76/178861776.db2.gz VINPSDFLLRGVTP-MRXNPFEDSA-N 0 3 240.350 3.109 10 10 BGCEHN Cc1ccccc1[C@H](N)c1ccc(N(C)C)cc1 ZINC000011737244 179343053 /nfs/dbraw/zinc/34/30/53/179343053.db2.gz OXIFWTUVQNBWNB-MRXNPFEDSA-N 0 3 240.350 3.109 10 10 BGCEHN Cc1ccccc1[C@@H](N)c1ccc(N(C)C)cc1 ZINC000011737245 179324021 /nfs/dbraw/zinc/32/40/21/179324021.db2.gz OXIFWTUVQNBWNB-INIZCTEOSA-N 0 3 240.350 3.109 10 10 BGCEHN CN(C)Cc1ccc2n1-c1ccccc1SC2 ZINC000013651949 343099692 /nfs/dbraw/zinc/09/96/92/343099692.db2.gz WGRUUBKCTBBTLU-UHFFFAOYSA-N 0 3 244.363 3.145 10 10 BGCEHN CCC[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2C ZINC000019475520 169284310 /nfs/dbraw/zinc/28/43/10/169284310.db2.gz UMFANKNCZQRISX-GHMZBOCLSA-N 0 3 219.328 3.249 10 10 BGCEHN CCC[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2C ZINC000019475522 169292478 /nfs/dbraw/zinc/29/24/78/169292478.db2.gz UMFANKNCZQRISX-MNOVXSKESA-N 0 3 219.328 3.249 10 10 BGCEHN CCC[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2C ZINC000019475524 169284093 /nfs/dbraw/zinc/28/40/93/169284093.db2.gz UMFANKNCZQRISX-WDEREUQCSA-N 0 3 219.328 3.249 10 10 BGCEHN CCC[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2C ZINC000019475526 169293134 /nfs/dbraw/zinc/29/31/34/169293134.db2.gz UMFANKNCZQRISX-QWRGUYRKSA-N 0 3 219.328 3.249 10 10 BGCEHN Cc1ccc([O-])c2c1[C@@H](C)C[C@@H]2[NH2+]CC1CC1 ZINC000019885021 178805236 /nfs/dbraw/zinc/80/52/36/178805236.db2.gz NIAISLUFXGPLSS-JQWIXIFHSA-N 0 3 231.339 3.249 10 10 BGCEHN C[C@H]([NH2+]C1CCC(C)CC1)c1ccc(O)cc1[O-] ZINC000019917893 168164801 /nfs/dbraw/zinc/16/48/01/168164801.db2.gz CAPNSGBYBKNETG-CXQJBGSLSA-N 0 3 249.354 3.327 10 10 BGCEHN C[C@@H]([NH2+]C1CCC(C)CC1)c1ccc(O)cc1[O-] ZINC000019917895 168165946 /nfs/dbraw/zinc/16/59/46/168165946.db2.gz CAPNSGBYBKNETG-MOENNCHZSA-N 0 3 249.354 3.327 10 10 BGCEHN C[C@H]([NH2+]C1CCC(C)CC1)c1cc(O)ccc1[O-] ZINC000019917940 168164236 /nfs/dbraw/zinc/16/42/36/168164236.db2.gz HSVMZHDRWVHACE-CXQJBGSLSA-N 0 3 249.354 3.327 10 10 BGCEHN C[C@@H]([NH2+]C1CCC(C)CC1)c1cc(O)ccc1[O-] ZINC000019917942 168166074 /nfs/dbraw/zinc/16/60/74/168166074.db2.gz HSVMZHDRWVHACE-MOENNCHZSA-N 0 3 249.354 3.327 10 10 BGCEHN C[C@H]([NH2+][C@H]1CCCC[C@H]1C)c1ccc(O)cc1[O-] ZINC000019945403 176919409 /nfs/dbraw/zinc/91/94/09/176919409.db2.gz JIKLVRFUZUSGCR-SUNKGSAMSA-N 0 3 249.354 3.327 10 10 BGCEHN C[C@H]1[C@H]([NH2+]Cc2ccccc2[O-])CCC[C@@H]1C ZINC000019963218 177123123 /nfs/dbraw/zinc/12/31/23/177123123.db2.gz PRTRSDQLFTYWPX-OUCADQQQSA-N 0 3 233.355 3.307 10 10 BGCEHN C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]Cc1ccccc1[O-] ZINC000019963220 177137013 /nfs/dbraw/zinc/13/70/13/177137013.db2.gz PRTRSDQLFTYWPX-SCRDCRAPSA-N 0 3 233.355 3.307 10 10 BGCEHN C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(O)cc2[O-])[C@@H]1C ZINC000019963221 176123653 /nfs/dbraw/zinc/12/36/53/176123653.db2.gz FTBZPPUMPUBEBM-JTNHKYCSSA-N 0 3 249.354 3.012 10 10 BGCEHN C[C@H]1[C@H]([NH2+]Cc2ccc(O)cc2[O-])CCC[C@@H]1C ZINC000019963222 177123067 /nfs/dbraw/zinc/12/30/67/177123067.db2.gz FTBZPPUMPUBEBM-MISXGVKJSA-N 0 3 249.354 3.012 10 10 BGCEHN C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(O)cc2[O-])[C@@H]1C ZINC000019963223 176144260 /nfs/dbraw/zinc/14/42/60/176144260.db2.gz FTBZPPUMPUBEBM-GYSYKLTISA-N 0 3 249.354 3.012 10 10 BGCEHN C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]Cc1ccc(O)cc1[O-] ZINC000019963224 177136865 /nfs/dbraw/zinc/13/68/65/177136865.db2.gz FTBZPPUMPUBEBM-WDMOLILDSA-N 0 3 249.354 3.012 10 10 BGCEHN [O-]c1ccccc1C[NH2+][C@H]1CCc2ccccc21 ZINC000020129709 183303651 /nfs/dbraw/zinc/30/36/51/183303651.db2.gz FAISBBFWDXHDQK-HNNXBMFYSA-N 0 3 239.318 3.169 10 10 BGCEHN CCC(CC)[NH2+][C@@H](C)c1ccc(OC)cc1[O-] ZINC000020133064 168391613 /nfs/dbraw/zinc/39/16/13/168391613.db2.gz SYZLCWMACDCWMX-JTQLQIEISA-N 0 3 237.343 3.240 10 10 BGCEHN CCC(CC)[NH2+][C@H](C)c1ccc(OC)cc1[O-] ZINC000020133066 168392664 /nfs/dbraw/zinc/39/26/64/168392664.db2.gz SYZLCWMACDCWMX-SNVBAGLBSA-N 0 3 237.343 3.240 10 10 BGCEHN C[C@@H]([NH2+]Cc1ccccc1[O-])c1cccs1 ZINC000020148229 590078124 /nfs/dbraw/zinc/07/81/24/590078124.db2.gz WPSAPFARFPPUPT-SNVBAGLBSA-N 0 3 233.336 3.305 10 10 BGCEHN C[C@H]([NH2+]Cc1ccccc1[O-])c1cccs1 ZINC000020148230 590078354 /nfs/dbraw/zinc/07/83/54/590078354.db2.gz WPSAPFARFPPUPT-JTQLQIEISA-N 0 3 233.336 3.305 10 10 BGCEHN Cc1ccc([C@H](C)[NH2+][C@H](C)C(C)C)c([O-])c1 ZINC000020522626 384620302 /nfs/dbraw/zinc/62/03/02/384620302.db2.gz MJOQUTLWPSPIHE-NEPJUHHUSA-N 0 3 221.344 3.396 10 10 BGCEHN Cc1ccc([C@H](C)[NH2+][C@@H](C)C(C)C)c([O-])c1 ZINC000020522628 384619975 /nfs/dbraw/zinc/61/99/75/384619975.db2.gz MJOQUTLWPSPIHE-RYUDHWBXSA-N 0 3 221.344 3.396 10 10 BGCEHN Cc1ccc([C@@H](C)[NH2+][C@H](C)C(C)C)c([O-])c1 ZINC000020522630 384620710 /nfs/dbraw/zinc/62/07/10/384620710.db2.gz MJOQUTLWPSPIHE-VXGBXAGGSA-N 0 3 221.344 3.396 10 10 BGCEHN Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(C)C)c([O-])c1 ZINC000020522631 384620178 /nfs/dbraw/zinc/62/01/78/384620178.db2.gz MJOQUTLWPSPIHE-NWDGAFQWSA-N 0 3 221.344 3.396 10 10 BGCEHN Cc1ccc([O-])c2c1[C@@H](C)C[C@H]2[NH2+]C1CC1 ZINC000022148340 178805097 /nfs/dbraw/zinc/80/50/97/178805097.db2.gz URSXPCGIWXKVQY-GXSJLCMTSA-N 0 3 217.312 3.001 10 10 BGCEHN Cc1ccc([O-])c2c1[C@@H](C)C[C@@H]2[NH2+]C1CC1 ZINC000022148347 178804523 /nfs/dbraw/zinc/80/45/23/178804523.db2.gz URSXPCGIWXKVQY-ONGXEEELSA-N 0 3 217.312 3.001 10 10 BGCEHN C[C@@H]1CCC[C@@H](C)[NH+]1Cc1ccccc1[O-] ZINC000028221911 176115945 /nfs/dbraw/zinc/11/59/45/176115945.db2.gz JCCLCOXEFAQYNO-VXGBXAGGSA-N 0 3 219.328 3.155 10 10 BGCEHN C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1ccccc1[O-] ZINC000028221914 177117859 /nfs/dbraw/zinc/11/78/59/177117859.db2.gz JCCLCOXEFAQYNO-TXEJJXNPSA-N 0 3 219.328 3.155 10 10 BGCEHN C[C@@H]1CCC[C@H](C)[N@H+]1Cc1ccccc1[O-] ZINC000028221914 177117858 /nfs/dbraw/zinc/11/78/58/177117858.db2.gz JCCLCOXEFAQYNO-TXEJJXNPSA-N 0 3 219.328 3.155 10 10 BGCEHN C[C@H]1CCC[C@H](C)[NH+]1Cc1ccccc1[O-] ZINC000028221918 177132230 /nfs/dbraw/zinc/13/22/30/177132230.db2.gz JCCLCOXEFAQYNO-RYUDHWBXSA-N 0 3 219.328 3.155 10 10 BGCEHN C[C@@H](NCc1ccc(N)cc1)c1ccccc1 ZINC000028229508 384381439 /nfs/dbraw/zinc/38/14/39/384381439.db2.gz ZKGGVUIEIBPDMD-GFCCVEGCSA-N 0 3 226.323 3.120 10 10 BGCEHN C[C@H](NCc1ccc(N)cc1)c1ccccc1 ZINC000028229511 384381506 /nfs/dbraw/zinc/38/15/06/384381506.db2.gz ZKGGVUIEIBPDMD-LBPRGKRZSA-N 0 3 226.323 3.120 10 10 BGCEHN CC(C)(C)c1cc([O-])c(C[NH3+])c(C(C)(C)C)c1 ZINC000029221235 371735546 /nfs/dbraw/zinc/73/55/46/371735546.db2.gz ZUSLEOOZAITYGH-UHFFFAOYSA-N 0 3 235.371 3.446 10 10 BGCEHN Fc1cc(CNC2CC2)ccc1N1CCCCC1 ZINC000034824118 132337034 /nfs/dbraw/zinc/33/70/34/132337034.db2.gz HSNCXSADDHHPSA-UHFFFAOYSA-N 0 3 248.345 3.068 10 10 BGCEHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)C(C)C)c1 ZINC000035629007 383866660 /nfs/dbraw/zinc/86/66/60/383866660.db2.gz RZKQYIIELUDNTJ-NWDGAFQWSA-N 0 3 221.344 3.396 10 10 BGCEHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H](C)C(C)C)c1 ZINC000035629008 178805261 /nfs/dbraw/zinc/80/52/61/178805261.db2.gz RZKQYIIELUDNTJ-RYUDHWBXSA-N 0 3 221.344 3.396 10 10 BGCEHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@H](C)C(C)C)c1 ZINC000035629009 383866265 /nfs/dbraw/zinc/86/62/65/383866265.db2.gz RZKQYIIELUDNTJ-VXGBXAGGSA-N 0 3 221.344 3.396 10 10 BGCEHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H](C)C(C)C)c1 ZINC000035629010 383865840 /nfs/dbraw/zinc/86/58/40/383865840.db2.gz RZKQYIIELUDNTJ-NEPJUHHUSA-N 0 3 221.344 3.396 10 10 BGCEHN Cc1ccc([C@@H](C)NCc2ccccc2O)o1 ZINC000036960015 383919859 /nfs/dbraw/zinc/91/98/59/383919859.db2.gz HRDMJVRCRYLEKJ-LLVKDONJSA-N 0 3 231.295 3.144 10 10 BGCEHN Cc1ccc([C@H](C)NCc2ccccc2O)o1 ZINC000036960016 178893121 /nfs/dbraw/zinc/89/31/21/178893121.db2.gz HRDMJVRCRYLEKJ-NSHDSACASA-N 0 3 231.295 3.144 10 10 BGCEHN COc1cccc(C[NH2+]CCC2CCCC2)c1[O-] ZINC000037739439 175263459 /nfs/dbraw/zinc/26/34/59/175263459.db2.gz YCCKKPYQLUUSRS-UHFFFAOYSA-N 0 3 249.354 3.071 10 10 BGCEHN [O-]c1ccccc1C[NH2+]CCC1CCCCC1 ZINC000037739852 183302257 /nfs/dbraw/zinc/30/22/57/183302257.db2.gz FPXHAUDZSCBEPP-UHFFFAOYSA-N 0 3 233.355 3.452 10 10 BGCEHN C[C@@H]1CCCN1c1ccc(CNC2CC2)cc1F ZINC000037911788 176111963 /nfs/dbraw/zinc/11/19/63/176111963.db2.gz IUBFJAGLFIHANS-LLVKDONJSA-N 0 3 248.345 3.066 10 10 BGCEHN C[C@H]1CCCN1c1ccc(CNC2CC2)cc1F ZINC000037911789 177112015 /nfs/dbraw/zinc/11/20/15/177112015.db2.gz IUBFJAGLFIHANS-NSHDSACASA-N 0 3 248.345 3.066 10 10 BGCEHN COc1ccc(C[NH2+][C@H]2CCCC[C@H]2C)c([O-])c1 ZINC000040905782 175111878 /nfs/dbraw/zinc/11/18/78/175111878.db2.gz NAMSPBANWZRGNB-RISCZKNCSA-N 0 3 249.354 3.069 10 10 BGCEHN COc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C)c([O-])c1 ZINC000040905784 175112369 /nfs/dbraw/zinc/11/23/69/175112369.db2.gz NAMSPBANWZRGNB-FZMZJTMJSA-N 0 3 249.354 3.069 10 10 BGCEHN COc1ccc(C[NH2+]C2CCCCCC2)c([O-])c1 ZINC000040905881 175106178 /nfs/dbraw/zinc/10/61/78/175106178.db2.gz OJZMUZXZBWHMTI-UHFFFAOYSA-N 0 3 249.354 3.213 10 10 BGCEHN COc1ccc(C[NH2+][C@H]2CCC[C@@H](C)C2)c([O-])c1 ZINC000040906108 175112306 /nfs/dbraw/zinc/11/23/06/175112306.db2.gz FYPJSXJETISCPK-YPMHNXCESA-N 0 3 249.354 3.069 10 10 BGCEHN COc1ccc(C[NH2+][C@H]2CCC[C@H](C)C2)c([O-])c1 ZINC000040906110 175112158 /nfs/dbraw/zinc/11/21/58/175112158.db2.gz FYPJSXJETISCPK-AAEUAGOBSA-N 0 3 249.354 3.069 10 10 BGCEHN COc1ccc(C[NH2+][C@@H]2CCC[C@@H](C)C2)c([O-])c1 ZINC000040906112 175109787 /nfs/dbraw/zinc/10/97/87/175109787.db2.gz FYPJSXJETISCPK-DGCLKSJQSA-N 0 3 249.354 3.069 10 10 BGCEHN COc1ccc(C[NH2+][C@@H]2CCC[C@H](C)C2)c([O-])c1 ZINC000040906114 175110459 /nfs/dbraw/zinc/11/04/59/175110459.db2.gz FYPJSXJETISCPK-WCQYABFASA-N 0 3 249.354 3.069 10 10 BGCEHN COc1ccc(C[NH2+]CC2CCCCC2)c([O-])c1 ZINC000040906118 188292651 /nfs/dbraw/zinc/29/26/51/188292651.db2.gz NDITXVFDIRYMCP-UHFFFAOYSA-N 0 3 249.354 3.071 10 10 BGCEHN [O-]c1c(O)cccc1C[NH2+]CCC1=CCCCC1 ZINC000041116472 183290500 /nfs/dbraw/zinc/29/05/00/183290500.db2.gz XRXLDKNPBZQZHJ-UHFFFAOYSA-N 0 3 247.338 3.078 10 10 BGCEHN CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccc(O)cc1[O-] ZINC000042552019 171366524 /nfs/dbraw/zinc/36/65/24/171366524.db2.gz UBZYLTPDXSLHHR-AXFHLTTASA-N 0 3 237.343 3.183 10 10 BGCEHN CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1ccc(O)cc1[O-] ZINC000042552025 171390803 /nfs/dbraw/zinc/39/08/03/171390803.db2.gz UBZYLTPDXSLHHR-DCAQKATOSA-N 0 3 237.343 3.183 10 10 BGCEHN CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1cc(O)ccc1[O-] ZINC000042552078 171366286 /nfs/dbraw/zinc/36/62/86/171366286.db2.gz UYGYVUABWSSASY-AXFHLTTASA-N 0 3 237.343 3.183 10 10 BGCEHN CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1cc(O)ccc1[O-] ZINC000042552083 171390815 /nfs/dbraw/zinc/39/08/15/171390815.db2.gz UYGYVUABWSSASY-DCAQKATOSA-N 0 3 237.343 3.183 10 10 BGCEHN C[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(O)cc1[O-] ZINC000042857072 176077362 /nfs/dbraw/zinc/07/73/62/176077362.db2.gz GYQSKDGASNGQCM-VXGBXAGGSA-N 0 3 249.354 3.014 10 10 BGCEHN C[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(O)cc1[O-] ZINC000042857076 177079964 /nfs/dbraw/zinc/07/99/64/177079964.db2.gz GYQSKDGASNGQCM-NWDGAFQWSA-N 0 3 249.354 3.014 10 10 BGCEHN C[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccc(O)cc1[O-] ZINC000042857079 176085628 /nfs/dbraw/zinc/08/56/28/176085628.db2.gz GYQSKDGASNGQCM-NEPJUHHUSA-N 0 3 249.354 3.014 10 10 BGCEHN C[C@H]1CCCC[C@H]1C[NH2+]Cc1ccc(O)cc1[O-] ZINC000042857082 177085839 /nfs/dbraw/zinc/08/58/39/177085839.db2.gz GYQSKDGASNGQCM-RYUDHWBXSA-N 0 3 249.354 3.014 10 10 BGCEHN C[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cccc(O)c1[O-] ZINC000042859698 176077432 /nfs/dbraw/zinc/07/74/32/176077432.db2.gz HQHONPJWUMFHJV-VXGBXAGGSA-N 0 3 249.354 3.014 10 10 BGCEHN C[C@H]1CCCC[C@@H]1C[NH2+]Cc1cccc(O)c1[O-] ZINC000042859700 177079711 /nfs/dbraw/zinc/07/97/11/177079711.db2.gz HQHONPJWUMFHJV-NWDGAFQWSA-N 0 3 249.354 3.014 10 10 BGCEHN C[C@@H]1CCCC[C@H]1C[NH2+]Cc1cccc(O)c1[O-] ZINC000042859702 176085722 /nfs/dbraw/zinc/08/57/22/176085722.db2.gz HQHONPJWUMFHJV-NEPJUHHUSA-N 0 3 249.354 3.014 10 10 BGCEHN C[C@H]1CCCC[C@H]1C[NH2+]Cc1cccc(O)c1[O-] ZINC000042859704 177086473 /nfs/dbraw/zinc/08/64/73/177086473.db2.gz HQHONPJWUMFHJV-RYUDHWBXSA-N 0 3 249.354 3.014 10 10 BGCEHN [O-]c1cccc2c1C[N@@H+](Cc1cccs1)CC2 ZINC000043082620 183297267 /nfs/dbraw/zinc/29/72/67/183297267.db2.gz RUFGWASEQYRJHR-UHFFFAOYSA-N 0 3 245.347 3.012 10 10 BGCEHN [O-]c1cccc2c1C[N@H+](Cc1cccs1)CC2 ZINC000043082620 183297266 /nfs/dbraw/zinc/29/72/66/183297266.db2.gz RUFGWASEQYRJHR-UHFFFAOYSA-N 0 3 245.347 3.012 10 10 BGCEHN CCC[C@@H](CC)[NH2+][C@@H](C)c1cc(O)ccc1[O-] ZINC000050400330 169379608 /nfs/dbraw/zinc/37/96/08/169379608.db2.gz QAYPAPYRNGCURO-WDEREUQCSA-N 0 3 237.343 3.327 10 10 BGCEHN CCC[C@@H](CC)[NH2+][C@H](C)c1cc(O)ccc1[O-] ZINC000050400336 169380234 /nfs/dbraw/zinc/38/02/34/169380234.db2.gz QAYPAPYRNGCURO-GHMZBOCLSA-N 0 3 237.343 3.327 10 10 BGCEHN Cc1cnccc1Nc1ccc2c(c1)CCCN2 ZINC000070489750 643029357 /nfs/dbraw/zinc/02/93/57/643029357.db2.gz DQAZNBMPPILMPM-UHFFFAOYSA-N 0 3 239.322 3.492 10 10 BGCEHN COc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H]2C)c([O-])c1 ZINC000071205866 175190323 /nfs/dbraw/zinc/19/03/23/175190323.db2.gz MRVPHSDCGDKQHA-SUNKGSAMSA-N 0 3 249.354 3.240 10 10 BGCEHN COc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H]2C)c([O-])c1 ZINC000071205867 175190227 /nfs/dbraw/zinc/19/02/27/175190227.db2.gz MRVPHSDCGDKQHA-MJVIPROJSA-N 0 3 249.354 3.240 10 10 BGCEHN COc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]2C)c([O-])c1 ZINC000071205868 175189840 /nfs/dbraw/zinc/18/98/40/175189840.db2.gz MRVPHSDCGDKQHA-UHIISALHSA-N 0 3 249.354 3.240 10 10 BGCEHN COc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2C)c([O-])c1 ZINC000071205869 175189894 /nfs/dbraw/zinc/18/98/94/175189894.db2.gz MRVPHSDCGDKQHA-COPLHBTASA-N 0 3 249.354 3.240 10 10 BGCEHN Cc1ccc([C@H](C)NCc2cc(C)ccc2O)o1 ZINC000071407387 384166565 /nfs/dbraw/zinc/16/65/65/384166565.db2.gz CQSMPGMJNOCSKJ-LBPRGKRZSA-N 0 3 245.322 3.453 10 10 BGCEHN Cc1ccc([C@@H](C)NCc2cc(C)ccc2O)o1 ZINC000071407388 384166003 /nfs/dbraw/zinc/16/60/03/384166003.db2.gz CQSMPGMJNOCSKJ-GFCCVEGCSA-N 0 3 245.322 3.453 10 10 BGCEHN CC[C@H]([NH3+])c1c(C)c(Cl)c(C)cc1[O-] ZINC000071455003 643147987 /nfs/dbraw/zinc/14/79/87/643147987.db2.gz IGKDPORREIEFFW-QMMMGPOBSA-N 0 3 213.708 3.072 10 10 BGCEHN CC[C@@H]([NH3+])c1c(C)c(Cl)c(C)cc1[O-] ZINC000071455004 643147931 /nfs/dbraw/zinc/14/79/31/643147931.db2.gz IGKDPORREIEFFW-MRVPVSSYSA-N 0 3 213.708 3.072 10 10 BGCEHN Cc1cc([C@H]([NH3+])C(C)C)c([O-])cc1Cl ZINC000075854090 178261147 /nfs/dbraw/zinc/26/11/47/178261147.db2.gz HPGYJKYYLSASMT-LLVKDONJSA-N 0 3 213.708 3.010 10 10 BGCEHN Cc1cc([C@@H]([NH3+])C(C)C)c([O-])cc1Cl ZINC000075854091 178235711 /nfs/dbraw/zinc/23/57/11/178235711.db2.gz HPGYJKYYLSASMT-NSHDSACASA-N 0 3 213.708 3.010 10 10 BGCEHN CCC[C@H]([NH3+])c1c(C)c(Cl)c(C)cc1[O-] ZINC000082722652 636409413 /nfs/dbraw/zinc/40/94/13/636409413.db2.gz MFPXYIWBQALBED-VIFPVBQESA-N 0 3 227.735 3.462 10 10 BGCEHN CCC[C@@H]([NH3+])c1c(C)c(Cl)c(C)cc1[O-] ZINC000082722653 636409651 /nfs/dbraw/zinc/40/96/51/636409651.db2.gz MFPXYIWBQALBED-SECBINFHSA-N 0 3 227.735 3.462 10 10 BGCEHN CCC[C@H]([NH3+])c1cc(Cl)cc(C)c1[O-] ZINC000095768708 635490519 /nfs/dbraw/zinc/49/05/19/635490519.db2.gz ZEWDANVXBQQTSK-JTQLQIEISA-N 0 3 213.708 3.154 10 10 BGCEHN Cc1cc(Cl)cc([C@@H]([NH3+])C(C)C)c1[O-] ZINC000095768715 635491483 /nfs/dbraw/zinc/49/14/83/635491483.db2.gz CJORTTRKKUQCJK-JTQLQIEISA-N 0 3 213.708 3.010 10 10 BGCEHN CCC[C@@H]([NH3+])c1cc(Cl)cc(C)c1[O-] ZINC000095780190 635489770 /nfs/dbraw/zinc/48/97/70/635489770.db2.gz ZEWDANVXBQQTSK-SNVBAGLBSA-N 0 3 213.708 3.154 10 10 BGCEHN Cc1cc(Cl)cc([C@H]([NH3+])C(C)C)c1[O-] ZINC000095780193 635488957 /nfs/dbraw/zinc/48/89/57/635488957.db2.gz CJORTTRKKUQCJK-SNVBAGLBSA-N 0 3 213.708 3.010 10 10 BGCEHN CC[n+]1ccccc1N=Nc1ccc([O-])cc1 ZINC000095931134 384411017 /nfs/dbraw/zinc/41/10/17/384411017.db2.gz MZOXFRGKNNCKGU-UHFFFAOYSA-O 0 3 228.275 3.115 10 10 BGCEHN CC[n+]1ccccc1[N-]N=C1C=CC(=O)C=C1 ZINC000095931134 384411014 /nfs/dbraw/zinc/41/10/14/384411014.db2.gz MZOXFRGKNNCKGU-UHFFFAOYSA-O 0 3 228.275 3.115 10 10 BGCEHN Cc1ccc([O-])c(C[NH2+]C[C@@H]2C[C@H]3CC[C@@H]2C3)c1 ZINC000104245514 187302563 /nfs/dbraw/zinc/30/25/63/187302563.db2.gz UCRVLSDVSHTRPF-MJBXVCDLSA-N 0 3 245.366 3.226 10 10 BGCEHN Cc1ccc([O-])c(C[NH2+]C[C@H]2C[C@H]3CC[C@@H]2C3)c1 ZINC000104245515 187302670 /nfs/dbraw/zinc/30/26/70/187302670.db2.gz UCRVLSDVSHTRPF-BFHYXJOUSA-N 0 3 245.366 3.226 10 10 BGCEHN CC[N@H+]1Cc2cccc([O-])c2[C@@H]1C(C)(C)C ZINC000115312301 368944897 /nfs/dbraw/zinc/94/48/97/368944897.db2.gz TWCHEAQVRDDGGP-CYBMUJFWSA-N 0 3 219.328 3.315 10 10 BGCEHN CC[N@@H+]1Cc2cccc([O-])c2[C@@H]1C(C)(C)C ZINC000115312301 368944895 /nfs/dbraw/zinc/94/48/95/368944895.db2.gz TWCHEAQVRDDGGP-CYBMUJFWSA-N 0 3 219.328 3.315 10 10 BGCEHN CC[N@H+]1Cc2cccc([O-])c2[C@H]1C(C)(C)C ZINC000115312303 368988663 /nfs/dbraw/zinc/98/86/63/368988663.db2.gz TWCHEAQVRDDGGP-ZDUSSCGKSA-N 0 3 219.328 3.315 10 10 BGCEHN CC[N@@H+]1Cc2cccc([O-])c2[C@H]1C(C)(C)C ZINC000115312303 368988660 /nfs/dbraw/zinc/98/86/60/368988660.db2.gz TWCHEAQVRDDGGP-ZDUSSCGKSA-N 0 3 219.328 3.315 10 10 BGCEHN Cc1ccc([C@H](C)NCc2cccc(C)c2O)o1 ZINC000124645122 384662644 /nfs/dbraw/zinc/66/26/44/384662644.db2.gz UXSPJEMELIWPBQ-LBPRGKRZSA-N 0 3 245.322 3.453 10 10 BGCEHN Cc1ccc([C@@H](C)NCc2cccc(C)c2O)o1 ZINC000124645307 384664407 /nfs/dbraw/zinc/66/44/07/384664407.db2.gz UXSPJEMELIWPBQ-GFCCVEGCSA-N 0 3 245.322 3.453 10 10 BGCEHN CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1ccccc1[O-] ZINC000134813118 384390990 /nfs/dbraw/zinc/39/09/90/384390990.db2.gz SJAKQDJOUFWRGI-LOWVWBTDSA-N 0 3 219.328 3.231 10 10 BGCEHN CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)c1ccccc1[O-] ZINC000134813157 384389838 /nfs/dbraw/zinc/38/98/38/384389838.db2.gz SJAKQDJOUFWRGI-DMDPSCGWSA-N 0 3 219.328 3.231 10 10 BGCEHN Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H]2C)c([O-])c1C ZINC000134918428 384399738 /nfs/dbraw/zinc/39/97/38/384399738.db2.gz VZNZDIPKTHDGPM-XHVZSJERSA-N 0 3 219.328 3.068 10 10 BGCEHN Cc1ccc([C@H](C)[NH2+][C@H]2C[C@@H]2C)c([O-])c1C ZINC000134918464 384399952 /nfs/dbraw/zinc/39/99/52/384399952.db2.gz VZNZDIPKTHDGPM-GAFUQQFSSA-N 0 3 219.328 3.068 10 10 BGCEHN CC[C@H]([NH2+]Cc1cccc(C)c1[O-])C(C)C ZINC000162831561 635142189 /nfs/dbraw/zinc/14/21/89/635142189.db2.gz NEXFMCVFYWNTRF-ZDUSSCGKSA-N 0 3 221.344 3.225 10 10 BGCEHN CC[C@@H]([NH2+]Cc1cccc(C)c1[O-])C(C)C ZINC000162831679 635140987 /nfs/dbraw/zinc/14/09/87/635140987.db2.gz NEXFMCVFYWNTRF-CYBMUJFWSA-N 0 3 221.344 3.225 10 10 BGCEHN Cc1cc(Nc2ccc3c(c2)CCCN3)ccn1 ZINC000162879645 178192553 /nfs/dbraw/zinc/19/25/53/178192553.db2.gz ILGKKKFOLKFGGD-UHFFFAOYSA-N 0 3 239.322 3.492 10 10 BGCEHN [O-]c1ccccc1C[N@H+]1CCC[C@@H]1c1ccco1 ZINC000179573626 134322244 /nfs/dbraw/zinc/32/22/44/134322244.db2.gz DBNXQKJIKUYCSC-CYBMUJFWSA-N 0 3 243.306 3.322 10 10 BGCEHN [O-]c1ccccc1C[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000179573626 134322243 /nfs/dbraw/zinc/32/22/43/134322243.db2.gz DBNXQKJIKUYCSC-CYBMUJFWSA-N 0 3 243.306 3.322 10 10 BGCEHN [O-]c1ccccc1C[N@H+]1CCC[C@H]1c1ccco1 ZINC000179573635 134321931 /nfs/dbraw/zinc/32/19/31/134321931.db2.gz DBNXQKJIKUYCSC-ZDUSSCGKSA-N 0 3 243.306 3.322 10 10 BGCEHN [O-]c1ccccc1C[N@@H+]1CCC[C@H]1c1ccco1 ZINC000179573635 134321930 /nfs/dbraw/zinc/32/19/30/134321930.db2.gz DBNXQKJIKUYCSC-ZDUSSCGKSA-N 0 3 243.306 3.322 10 10 BGCEHN [O-]c1ccccc1C[N@H+]1CC[C@H]2CCCC[C@H]21 ZINC000228185416 183301547 /nfs/dbraw/zinc/30/15/47/183301547.db2.gz GSOBDZCPXMUZFL-TZMCWYRMSA-N 0 3 231.339 3.157 10 10 BGCEHN [O-]c1ccccc1C[N@@H+]1CC[C@H]2CCCC[C@H]21 ZINC000228185416 183301545 /nfs/dbraw/zinc/30/15/45/183301545.db2.gz GSOBDZCPXMUZFL-TZMCWYRMSA-N 0 3 231.339 3.157 10 10 BGCEHN CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000230667821 385748380 /nfs/dbraw/zinc/74/83/80/385748380.db2.gz ORGQUTGOUMOONK-WDMOLILDSA-N 0 3 249.354 3.240 10 10 BGCEHN CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000230667827 385746662 /nfs/dbraw/zinc/74/66/62/385746662.db2.gz ORGQUTGOUMOONK-MISXGVKJSA-N 0 3 249.354 3.240 10 10 BGCEHN CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000230667900 641078708 /nfs/dbraw/zinc/07/87/08/641078708.db2.gz UHYVGGSDVVKZAI-CWSCBRNRSA-N 0 3 237.318 3.371 10 10 BGCEHN CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000230667907 641078786 /nfs/dbraw/zinc/07/87/86/641078786.db2.gz UHYVGGSDVVKZAI-OPQQBVKSSA-N 0 3 237.318 3.371 10 10 BGCEHN CCC[C@@H]1C[C@H]1[NH2+]Cc1cccc(OCC)c1[O-] ZINC000231675700 387278527 /nfs/dbraw/zinc/27/85/27/387278527.db2.gz ZIEMIMFDKAFCFR-DGCLKSJQSA-N 0 3 249.354 3.069 10 10 BGCEHN Cc1cc([O-])c([C@H]([NH3+])C(C)C)c(C)c1Cl ZINC000238165460 642792767 /nfs/dbraw/zinc/79/27/67/642792767.db2.gz CZKAFXSRRCBANL-GFCCVEGCSA-N 0 3 227.735 3.318 10 10 BGCEHN Cc1cc([O-])c([C@@H]([NH3+])C(C)C)c(C)c1Cl ZINC000238167345 642794297 /nfs/dbraw/zinc/79/42/97/642794297.db2.gz CZKAFXSRRCBANL-LBPRGKRZSA-N 0 3 227.735 3.318 10 10 BGCEHN Cc1cc([O-])c([C@@H]([NH3+])C2CC2)c(C)c1Cl ZINC000238488287 642815576 /nfs/dbraw/zinc/81/55/76/642815576.db2.gz XXVUVHFTUCPWLG-LBPRGKRZSA-N 0 3 225.719 3.072 10 10 BGCEHN Cc1cc([O-])c([C@H]([NH3+])C2CC2)c(C)c1Cl ZINC000238490060 642815554 /nfs/dbraw/zinc/81/55/54/642815554.db2.gz XXVUVHFTUCPWLG-GFCCVEGCSA-N 0 3 225.719 3.072 10 10 BGCEHN Cc1ccc([C@H](C)[NH2+][C@H]2C[C@H]2C)c([O-])c1C ZINC000252816029 385661933 /nfs/dbraw/zinc/66/19/33/385661933.db2.gz VZNZDIPKTHDGPM-CDMKHQONSA-N 0 3 219.328 3.068 10 10 BGCEHN Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]2C)c([O-])c1C ZINC000252816030 385662662 /nfs/dbraw/zinc/66/26/62/385662662.db2.gz VZNZDIPKTHDGPM-SUZMYJTESA-N 0 3 219.328 3.068 10 10 BGCEHN CCC[C@@H]1C[C@H]1[NH2+][C@H](C)c1ccccc1[O-] ZINC000252824341 385661262 /nfs/dbraw/zinc/66/12/62/385661262.db2.gz SJAKQDJOUFWRGI-NQBHXWOUSA-N 0 3 219.328 3.231 10 10 BGCEHN CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)c1ccccc1[O-] ZINC000252824342 385661185 /nfs/dbraw/zinc/66/11/85/385661185.db2.gz SJAKQDJOUFWRGI-WZRBSPASSA-N 0 3 219.328 3.231 10 10 BGCEHN CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000273493123 386007136 /nfs/dbraw/zinc/00/71/36/386007136.db2.gz ORGQUTGOUMOONK-GYSYKLTISA-N 0 3 249.354 3.240 10 10 BGCEHN CCC[C@@H]1C[C@H]1[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000273493127 386007793 /nfs/dbraw/zinc/00/77/93/386007793.db2.gz ORGQUTGOUMOONK-JTNHKYCSSA-N 0 3 249.354 3.240 10 10 BGCEHN CC[C@H]([NH2+][C@H]1C[C@@H]1C)c1ccc(C)cc1[O-] ZINC000279918607 385225911 /nfs/dbraw/zinc/22/59/11/385225911.db2.gz AAGMLAHQOPGRFL-DRZSPHRISA-N 0 3 219.328 3.150 10 10 BGCEHN CC[C@H]([NH2+][C@@H]1C[C@H]1C)c1ccc(C)cc1[O-] ZINC000279918614 385226378 /nfs/dbraw/zinc/22/63/78/385226378.db2.gz AAGMLAHQOPGRFL-KGYLQXTDSA-N 0 3 219.328 3.150 10 10 BGCEHN CC[C@H]([NH2+][C@@H]1C[C@@H]1C)c1ccc(C)cc1[O-] ZINC000279918616 385226027 /nfs/dbraw/zinc/22/60/27/385226027.db2.gz AAGMLAHQOPGRFL-WCFLWFBJSA-N 0 3 219.328 3.150 10 10 BGCEHN CC[C@H]([NH2+][C@H]1C[C@H]1C)c1ccc(C)cc1[O-] ZINC000279918621 385226805 /nfs/dbraw/zinc/22/68/05/385226805.db2.gz AAGMLAHQOPGRFL-WXHSDQCUSA-N 0 3 219.328 3.150 10 10 BGCEHN Cc1cc(C)c([C@H](C)[NH2+][C@@H]2C[C@H]2C)c([O-])c1 ZINC000293762636 388391768 /nfs/dbraw/zinc/39/17/68/388391768.db2.gz PBLDAXCHOKAYTN-ADEWGFFLSA-N 0 3 219.328 3.068 10 10 BGCEHN Cc1cc(C)c([C@H](C)[NH2+][C@H]2C[C@@H]2C)c([O-])c1 ZINC000293762639 388391641 /nfs/dbraw/zinc/39/16/41/388391641.db2.gz PBLDAXCHOKAYTN-DLOVCJGASA-N 0 3 219.328 3.068 10 10 BGCEHN Cc1cc(C)c([C@H](C)[NH2+][C@H]2C[C@H]2C)c([O-])c1 ZINC000293762644 388392342 /nfs/dbraw/zinc/39/23/42/388392342.db2.gz PBLDAXCHOKAYTN-USWWRNFRSA-N 0 3 219.328 3.068 10 10 BGCEHN Cc1cc(C)c([C@H](C)[NH2+][C@@H]2C[C@@H]2C)c([O-])c1 ZINC000293762648 388392000 /nfs/dbraw/zinc/39/20/00/388392000.db2.gz PBLDAXCHOKAYTN-ZMLRMANQSA-N 0 3 219.328 3.068 10 10 BGCEHN CC(C)[C@H](C)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000295901367 388416031 /nfs/dbraw/zinc/41/60/31/388416031.db2.gz ISUYPEPALOSQIN-CMPLNLGQSA-N 0 3 219.328 3.014 10 10 BGCEHN CC(C)[C@H](C)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000295901371 388415485 /nfs/dbraw/zinc/41/54/85/388415485.db2.gz ISUYPEPALOSQIN-JQWIXIFHSA-N 0 3 219.328 3.014 10 10 BGCEHN CC(C)[C@@H](C)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000295901374 167385040 /nfs/dbraw/zinc/38/50/40/167385040.db2.gz ISUYPEPALOSQIN-PWSUYJOCSA-N 0 3 219.328 3.014 10 10 BGCEHN CC(C)[C@@H](C)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000295901377 167383567 /nfs/dbraw/zinc/38/35/67/167383567.db2.gz ISUYPEPALOSQIN-ZYHUDNBSSA-N 0 3 219.328 3.014 10 10 BGCEHN CCC[C@@H]1C[C@H]1[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296286916 388420678 /nfs/dbraw/zinc/42/06/78/388420678.db2.gz CWSSNOKFWWBEPK-FRRDWIJNSA-N 0 3 231.339 3.158 10 10 BGCEHN CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296286918 388421101 /nfs/dbraw/zinc/42/11/01/388421101.db2.gz CWSSNOKFWWBEPK-JHJVBQTASA-N 0 3 231.339 3.158 10 10 BGCEHN CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296641856 343981354 /nfs/dbraw/zinc/98/13/54/343981354.db2.gz CWSSNOKFWWBEPK-AGIUHOORSA-N 0 3 231.339 3.158 10 10 BGCEHN CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296641864 343981457 /nfs/dbraw/zinc/98/14/57/343981457.db2.gz CWSSNOKFWWBEPK-UPJWGTAASA-N 0 3 231.339 3.158 10 10 BGCEHN CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000300419254 592512597 /nfs/dbraw/zinc/51/25/97/592512597.db2.gz UHYVGGSDVVKZAI-BREBYQMCSA-N 0 3 237.318 3.371 10 10 BGCEHN CCC[C@@H]1C[C@H]1[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000300419255 592512699 /nfs/dbraw/zinc/51/26/99/592512699.db2.gz UHYVGGSDVVKZAI-GIPNMCIBSA-N 0 3 237.318 3.371 10 10 BGCEHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2C[C@H]2C)c1[O-] ZINC000309526943 632471164 /nfs/dbraw/zinc/47/11/64/632471164.db2.gz CSXAAGMLGUXQBI-FDOIEUKUSA-N 0 3 239.746 3.413 10 10 BGCEHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2C[C@H]2C)c1[O-] ZINC000309526948 632470038 /nfs/dbraw/zinc/47/00/38/632470038.db2.gz CSXAAGMLGUXQBI-VFWDIBGWSA-N 0 3 239.746 3.413 10 10 BGCEHN CC[C@@H]([NH2+][C@@H]1CCc2cccc([O-])c21)C(C)C ZINC000310372773 635759411 /nfs/dbraw/zinc/75/94/11/635759411.db2.gz YIYRCONRPSENKF-CHWSQXEVSA-N 0 3 233.355 3.404 10 10 BGCEHN CC[C@@H]([NH2+][C@H]1CCc2cccc([O-])c21)C(C)C ZINC000310372774 635759797 /nfs/dbraw/zinc/75/97/97/635759797.db2.gz YIYRCONRPSENKF-OLZOCXBDSA-N 0 3 233.355 3.404 10 10 BGCEHN CC[C@H]([NH2+][C@@H]1CCc2cccc([O-])c21)C(C)C ZINC000310372775 635758453 /nfs/dbraw/zinc/75/84/53/635758453.db2.gz YIYRCONRPSENKF-QWHCGFSZSA-N 0 3 233.355 3.404 10 10 BGCEHN CC[C@H]([NH2+][C@H]1CCc2cccc([O-])c21)C(C)C ZINC000310372776 632734033 /nfs/dbraw/zinc/73/40/33/632734033.db2.gz YIYRCONRPSENKF-STQMWFEESA-N 0 3 233.355 3.404 10 10 BGCEHN Cc1cc(Cl)cc([C@H]([NH3+])CC(F)F)c1[O-] ZINC000575436805 387104616 /nfs/dbraw/zinc/10/46/16/387104616.db2.gz IIYNCDGWRVCWAA-MRVPVSSYSA-N 0 3 235.661 3.009 10 10 BGCEHN Cc1cc(Cl)cc([C@@H]([NH3+])CC(F)F)c1[O-] ZINC000575437535 387109646 /nfs/dbraw/zinc/10/96/46/387109646.db2.gz IIYNCDGWRVCWAA-QMMMGPOBSA-N 0 3 235.661 3.009 10 10 BGCEHN CCCCC[C@H]([NH3+])c1cc(F)cc(C)c1[O-] ZINC000575438166 388622647 /nfs/dbraw/zinc/62/26/47/388622647.db2.gz DQNNNHTYGLHSAX-LBPRGKRZSA-N 0 3 225.307 3.420 10 10 BGCEHN CCCCC[C@@H]([NH3+])c1cc(F)cc(C)c1[O-] ZINC000575438871 387119741 /nfs/dbraw/zinc/11/97/41/387119741.db2.gz DQNNNHTYGLHSAX-GFCCVEGCSA-N 0 3 225.307 3.420 10 10 BGCEHN C[C@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)c1ccccc1[O-] ZINC000710606272 712264004 /nfs/dbraw/zinc/26/40/04/712264004.db2.gz FUHQVHQULGOANX-CDGCEXEKSA-N 0 3 231.339 3.231 10 10 BGCEHN COc1cc(Cl)cc([C@@H]([NH3+])CC(C)C)c1[O-] ZINC000757131664 582505388 /nfs/dbraw/zinc/50/53/88/582505388.db2.gz BVZRCCDMSSVWMQ-JTQLQIEISA-N 0 3 243.734 3.100 10 10 BGCEHN COc1cc(Cl)cc([C@H]([NH3+])CC(C)C)c1[O-] ZINC000757131677 582505309 /nfs/dbraw/zinc/50/53/09/582505309.db2.gz BVZRCCDMSSVWMQ-SNVBAGLBSA-N 0 3 243.734 3.100 10 10 BGCEHN Cc1cc(C(C)(C)C)cc([C@H]([NH3+])C2CC2)c1[O-] ZINC000757132112 582507446 /nfs/dbraw/zinc/50/74/46/582507446.db2.gz DRPKJASBMXLULR-CYBMUJFWSA-N 0 3 233.355 3.408 10 10 BGCEHN Cc1cc(C(C)(C)C)cc([C@@H]([NH3+])C2CC2)c1[O-] ZINC000757132160 582507104 /nfs/dbraw/zinc/50/71/04/582507104.db2.gz DRPKJASBMXLULR-ZDUSSCGKSA-N 0 3 233.355 3.408 10 10 BGCEHN CC[C@H](C)c1ccc([O-])c([C@H]([NH3+])C2CC2)c1 ZINC000757132887 582508225 /nfs/dbraw/zinc/50/82/25/582508225.db2.gz MUBMPELUWXNYLW-LKFCYVNXSA-N 0 3 219.328 3.316 10 10 BGCEHN CC[C@@H](C)c1ccc([O-])c([C@@H]([NH3+])C2CC2)c1 ZINC000757132901 582508153 /nfs/dbraw/zinc/50/81/53/582508153.db2.gz MUBMPELUWXNYLW-OTYXRUKQSA-N 0 3 219.328 3.316 10 10 BGCEHN CC[C@H](C)c1ccc([O-])c([C@@H]([NH3+])C2CC2)c1 ZINC000757132905 582508390 /nfs/dbraw/zinc/50/83/90/582508390.db2.gz MUBMPELUWXNYLW-XPTSAGLGSA-N 0 3 219.328 3.316 10 10 BGCEHN CC[C@@H](C)c1ccc([O-])c([C@H]([NH3+])C2CC2)c1 ZINC000757132908 582508668 /nfs/dbraw/zinc/50/86/68/582508668.db2.gz MUBMPELUWXNYLW-YMTOWFKASA-N 0 3 219.328 3.316 10 10 BGCEHN C[C@@H]([NH3+])c1cc(Cc2ccccc2)ccc1[O-] ZINC000757133388 582509958 /nfs/dbraw/zinc/50/99/58/582509958.db2.gz QUBWCLGGIBMDQY-LLVKDONJSA-N 0 3 227.307 3.003 10 10 BGCEHN C[C@H]([NH3+])c1cc(Cc2ccccc2)ccc1[O-] ZINC000757133402 582509652 /nfs/dbraw/zinc/50/96/52/582509652.db2.gz QUBWCLGGIBMDQY-NSHDSACASA-N 0 3 227.307 3.003 10 10 BGCEHN Cc1cc(C(C)(C)C)cc([C@@H](C)[NH3+])c1[O-] ZINC000757133413 582509834 /nfs/dbraw/zinc/50/98/34/582509834.db2.gz QVIONTKGQMOZQH-SECBINFHSA-N 0 3 207.317 3.018 10 10 BGCEHN Cc1cc(C(C)(C)C)cc([C@H](C)[NH3+])c1[O-] ZINC000757133416 582509929 /nfs/dbraw/zinc/50/99/29/582509929.db2.gz QVIONTKGQMOZQH-VIFPVBQESA-N 0 3 207.317 3.018 10 10 BGCEHN CCC(C)(C)c1ccc([O-])c([C@@H]([NH3+])C2CC2)c1 ZINC000757133655 582510326 /nfs/dbraw/zinc/51/03/26/582510326.db2.gz VDUNPMVTOAJOFF-AWEZNQCLSA-N 0 3 233.355 3.490 10 10 BGCEHN CCC(C)(C)c1ccc([O-])c([C@H]([NH3+])C2CC2)c1 ZINC000757133662 582510533 /nfs/dbraw/zinc/51/05/33/582510533.db2.gz VDUNPMVTOAJOFF-CQSZACIVSA-N 0 3 233.355 3.490 10 10 BGCEHN Cc1cc(Cl)cc([C@H]([NH3+])c2ccccc2)c1[O-] ZINC000757133741 582509625 /nfs/dbraw/zinc/50/96/25/582509625.db2.gz VYGBFWATGXDACT-CYBMUJFWSA-N 0 3 247.725 3.402 10 10 BGCEHN Cc1cc(Cl)cc([C@@H]([NH3+])c2ccccc2)c1[O-] ZINC000757133749 582510207 /nfs/dbraw/zinc/51/02/07/582510207.db2.gz VYGBFWATGXDACT-ZDUSSCGKSA-N 0 3 247.725 3.402 10 10 BGCEHN CCc1ccc([O-])c([C@@H]([NH3+])C(C)(C)C)c1 ZINC000757133840 582510731 /nfs/dbraw/zinc/51/07/31/582510731.db2.gz YPMZXQLBLDPIQM-GFCCVEGCSA-N 0 3 207.317 3.001 10 10 BGCEHN CCc1ccc([O-])c([C@H]([NH3+])C(C)(C)C)c1 ZINC000757133841 582510131 /nfs/dbraw/zinc/51/01/31/582510131.db2.gz YPMZXQLBLDPIQM-LBPRGKRZSA-N 0 3 207.317 3.001 10 10 BGCEHN CC[C@@H](C)c1ccc([O-])c([C@@H]([NH3+])CC)c1 ZINC000757142217 582522400 /nfs/dbraw/zinc/52/24/00/582522400.db2.gz BZFFGLAFYOCWPV-SKDRFNHKSA-N 0 3 207.317 3.316 10 10 BGCEHN CC[C@H]([NH3+])c1cc(-c2ccccc2)ccc1[O-] ZINC000757142740 582523150 /nfs/dbraw/zinc/52/31/50/582523150.db2.gz DAJHOQWDTJRJHV-AWEZNQCLSA-N 0 3 227.307 3.469 10 10 BGCEHN CC[C@@H]([NH3+])c1cc(-c2ccccc2)ccc1[O-] ZINC000757142753 582522799 /nfs/dbraw/zinc/52/27/99/582522799.db2.gz DAJHOQWDTJRJHV-CQSZACIVSA-N 0 3 227.307 3.469 10 10 BGCEHN COc1cc(Cl)cc([C@@H]([NH3+])C(C)(C)C)c1[O-] ZINC000757142968 582522970 /nfs/dbraw/zinc/52/29/70/582522970.db2.gz DNISJLKJJWMSRV-LLVKDONJSA-N 0 3 243.734 3.100 10 10 BGCEHN COc1cc(Cl)cc([C@H]([NH3+])C(C)(C)C)c1[O-] ZINC000757142983 582523525 /nfs/dbraw/zinc/52/35/25/582523525.db2.gz DNISJLKJJWMSRV-NSHDSACASA-N 0 3 243.734 3.100 10 10 BGCEHN CC[C@H]([NH3+])c1cc(C(C)(C)C)cc(C)c1[O-] ZINC000757143985 586428469 /nfs/dbraw/zinc/42/84/69/586428469.db2.gz GUMDWGGYVNFRBF-LBPRGKRZSA-N 0 3 221.344 3.408 10 10 BGCEHN CCCc1ccc([O-])c([C@@H]([NH3+])C(C)(C)C)c1 ZINC000757144308 582525050 /nfs/dbraw/zinc/52/50/50/582525050.db2.gz IJDHYGPHOSBTEX-CYBMUJFWSA-N 0 3 221.344 3.391 10 10 BGCEHN CCCc1ccc([O-])c([C@H]([NH3+])C(C)(C)C)c1 ZINC000757144318 582525408 /nfs/dbraw/zinc/52/54/08/582525408.db2.gz IJDHYGPHOSBTEX-ZDUSSCGKSA-N 0 3 221.344 3.391 10 10 BGCEHN CCCCc1ccc([O-])c([C@H]([NH3+])CC)c1 ZINC000757145264 582527063 /nfs/dbraw/zinc/52/70/63/582527063.db2.gz LIXCZMOXISLXIM-GFCCVEGCSA-N 0 3 207.317 3.145 10 10 BGCEHN CCCCc1ccc([O-])c([C@@H]([NH3+])CC)c1 ZINC000757145273 582527626 /nfs/dbraw/zinc/52/76/26/582527626.db2.gz LIXCZMOXISLXIM-LBPRGKRZSA-N 0 3 207.317 3.145 10 10 BGCEHN CCCCc1ccc([O-])c([C@@H]([NH3+])C(C)C)c1 ZINC000757145577 582528394 /nfs/dbraw/zinc/52/83/94/582528394.db2.gz PHULJDBPHRYPAV-AWEZNQCLSA-N 0 3 221.344 3.391 10 10 BGCEHN CCCCc1ccc([O-])c([C@H]([NH3+])C(C)C)c1 ZINC000757145759 582528170 /nfs/dbraw/zinc/52/81/70/582528170.db2.gz PHULJDBPHRYPAV-CQSZACIVSA-N 0 3 221.344 3.391 10 10 BGCEHN [NH3+][C@H](c1cc(-c2ccccc2)ccc1[O-])C1CC1 ZINC000757146003 582528990 /nfs/dbraw/zinc/52/89/90/582528990.db2.gz QYCRJOQLAYIFLC-INIZCTEOSA-N 0 3 239.318 3.469 10 10 BGCEHN [NH3+][C@@H](c1cc(-c2ccccc2)ccc1[O-])C1CC1 ZINC000757146005 582529319 /nfs/dbraw/zinc/52/93/19/582529319.db2.gz QYCRJOQLAYIFLC-MRXNPFEDSA-N 0 3 239.318 3.469 10 10 BGCEHN CCc1ccc([O-])c([C@@H]([NH3+])c2ccccc2)c1 ZINC000757146947 582530201 /nfs/dbraw/zinc/53/02/01/582530201.db2.gz WEGLRVBJWHQILH-HNNXBMFYSA-N 0 3 227.307 3.003 10 10 BGCEHN CCc1ccc([O-])c([C@H]([NH3+])c2ccccc2)c1 ZINC000757146951 582530588 /nfs/dbraw/zinc/53/05/88/582530588.db2.gz WEGLRVBJWHQILH-OAHLLOKOSA-N 0 3 227.307 3.003 10 10 BGCEHN CC[C@H]([NH3+])c1cc(Cc2ccccc2)ccc1[O-] ZINC000757147013 582530861 /nfs/dbraw/zinc/53/08/61/582530861.db2.gz WJFZPHGMODBTKC-HNNXBMFYSA-N 0 3 241.334 3.393 10 10 BGCEHN CC[C@@H]([NH3+])c1cc(Cc2ccccc2)ccc1[O-] ZINC000757147015 582530840 /nfs/dbraw/zinc/53/08/40/582530840.db2.gz WJFZPHGMODBTKC-OAHLLOKOSA-N 0 3 241.334 3.393 10 10 BGCEHN CCCc1ccc([O-])c([C@H]([NH3+])CC(C)C)c1 ZINC000757147410 582531325 /nfs/dbraw/zinc/53/13/25/582531325.db2.gz XKKPICYYCRFOAS-CYBMUJFWSA-N 0 3 221.344 3.391 10 10 BGCEHN CCCc1ccc([O-])c([C@@H]([NH3+])CC(C)C)c1 ZINC000757147435 586428872 /nfs/dbraw/zinc/42/88/72/586428872.db2.gz XKKPICYYCRFOAS-ZDUSSCGKSA-N 0 3 221.344 3.391 10 10 BGCEHN CCc1ccc([O-])c([C@H]([NH3+])CC(C)C)c1 ZINC000757147843 582532223 /nfs/dbraw/zinc/53/22/23/582532223.db2.gz ZNZFXKOJLJNWBS-GFCCVEGCSA-N 0 3 207.317 3.001 10 10 BGCEHN CCc1ccc([O-])c([C@@H]([NH3+])CC(C)C)c1 ZINC000757147846 582531880 /nfs/dbraw/zinc/53/18/80/582531880.db2.gz ZNZFXKOJLJNWBS-LBPRGKRZSA-N 0 3 207.317 3.001 10 10 BGCEHN