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)c(C)c([C@H]([NH3+])CO)c1O ZINC000072198280 178060922 /nfs/dbraw/zinc/06/09/22/178060922.db2.gz MWBLPJRTGZXREH-MRVPVSSYSA-N 1 0 215.680 1.655 10 10 BDCERO NC[C@@H]([NH3+])c1cccc(OC(F)(F)F)c1O ZINC000072201331 343069780 /nfs/dbraw/zinc/06/97/80/343069780.db2.gz AYBFDSJFQZSTCS-ZCFIWIBFSA-N 1 0 236.193 1.249 10 10 BDCERO CC(C)(CO)[NH2+]Cc1c(O)cccc1Cl ZINC000083662485 187285965 /nfs/dbraw/zinc/28/59/65/187285965.db2.gz CJORJINNMXASBF-UHFFFAOYSA-N 1 0 229.707 1.906 10 10 BDCERO [NH3+]CC[C@@H]([NH3+])c1cccc(Cl)c1[O-] ZINC000307173540 351563823 /nfs/dbraw/zinc/56/38/23/351563823.db2.gz RTSPWKIQLOVAIB-MRVPVSSYSA-N 1 0 200.669 1.394 10 10 BDCERO COC(=O)C(C=Cc1ccccc1OC)[N+]#N ZINC000584610222 358273306 /nfs/dbraw/zinc/27/33/06/358273306.db2.gz ONZWHCYCCPNSCV-BQYQJAHWSA-N 1 0 232.239 1.552 10 10 BDCERO CSc1cc([N+](=O)[O-])ccc1C(=O)C[N+]#N ZINC000584643547 358328740 /nfs/dbraw/zinc/32/87/40/358328740.db2.gz PDVLSIFCGDIRSO-UHFFFAOYSA-N 1 0 237.240 1.800 10 10 BDCERO Oc1ccc(C[NH2+]Cc2cn[nH]c2)cc1O ZINC000038005661 183270555 /nfs/dbraw/zinc/27/05/55/183270555.db2.gz IPNLLSMSIDIHGP-UHFFFAOYSA-N 1 0 219.244 1.111 10 10 BDCERO Oc1ccc(C[NH2+]C[C@@H]2CCCO2)c(O)c1 ZINC000019963468 183270784 /nfs/dbraw/zinc/27/07/84/183270784.db2.gz MKAXLQAQLKDGMB-NSHDSACASA-N 1 0 223.272 1.366 10 10 BDCERO Oc1ccc(C[NH2+]Cc2cccnc2)cc1O ZINC000004677040 183270892 /nfs/dbraw/zinc/27/08/92/183270892.db2.gz YLKDMXADEWXPIY-UHFFFAOYSA-N 1 0 230.267 1.783 10 10 BDCERO Oc1ccc(C[NH2+]CC[C@H]2CCCO2)c(O)c1 ZINC000038095369 183271034 /nfs/dbraw/zinc/27/10/34/183271034.db2.gz NYNXCBIJRRBLEJ-GFCCVEGCSA-N 1 0 237.299 1.757 10 10 BDCERO Oc1ccc([C@H](O)C[NH2+]C2CCC2)cc1O ZINC000000000551 183277753 /nfs/dbraw/zinc/27/77/53/183277753.db2.gz OVTZNVCECJYMDW-GFCCVEGCSA-N 1 0 223.272 1.273 10 10 in-man BDCERO Oc1ccc2c(c1O)CCC[C@H]2C1=[NH+]CCN1 ZINC000006091782 183282553 /nfs/dbraw/zinc/28/25/53/183282553.db2.gz LYRNYBCBYWDTIF-SNVBAGLBSA-N 1 0 232.283 1.519 10 10 BDCERO CCCNC(=O)[C@H](C)N(C)c1ccc(C[NH3+])cc1 ZINC000034653888 169245233 /nfs/dbraw/zinc/24/52/33/169245233.db2.gz DGTQHSSSYRQKEJ-NSHDSACASA-N 1 0 249.358 1.496 10 10 BDCERO CC(=O)[C@@H]([NH3+])c1ccc2[nH]ccc2c1O ZINC000089204411 383945943 /nfs/dbraw/zinc/94/59/43/383945943.db2.gz SNJUCRWMABLWGU-SNVBAGLBSA-N 1 0 204.229 1.462 10 10 BDCERO C[C@@H](O)[C@H]([NH3+])c1ccc2[nH]ccc2c1O ZINC000089204353 383946732 /nfs/dbraw/zinc/94/67/32/383946732.db2.gz MAICYBKZWPYRAX-LDWIPMOCSA-N 1 0 206.245 1.254 10 10 BDCERO C[NH+](C)[C@@H]1CCN(Cc2cc(F)ccc2O)C1 ZINC000234266447 386042315 /nfs/dbraw/zinc/04/23/15/386042315.db2.gz DKWPAWNPESHYFB-GFCCVEGCSA-N 1 0 238.306 1.667 10 10 BDCERO Cc1ccc(O)c([C@@H](C)N2CC[NH2+]CC2)c1 ZINC000038086759 386120730 /nfs/dbraw/zinc/12/07/30/386120730.db2.gz QSIUVHHZUKXBII-LLVKDONJSA-N 1 0 220.316 1.667 10 10 BDCERO [NH3+]Cc1ccc(N2CCCC[C@H]2CCO)cc1 ZINC000019865459 132327861 /nfs/dbraw/zinc/32/78/61/132327861.db2.gz DVPNPNFVBDSYIN-ZDUSSCGKSA-N 1 0 234.343 1.887 10 10 BDCERO C[NH2+]Cc1ccc(N2CCN(C(C)=O)CC2)cc1 ZINC000034823917 132337009 /nfs/dbraw/zinc/33/70/09/132337009.db2.gz COCTYHXQIRVMDC-UHFFFAOYSA-N 1 0 247.342 1.075 10 10 BDCERO C[C@H]([NH3+])c1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000035438921 132338123 /nfs/dbraw/zinc/33/81/23/132338123.db2.gz GBMSNGYZZBJNHI-JQWIXIFHSA-N 1 0 247.342 1.408 10 10 BDCERO CC1CCN(c2ccc3c(c2)NC(=O)[C@@H]3[NH3+])CC1 ZINC000036193500 132340824 /nfs/dbraw/zinc/34/08/24/132340824.db2.gz JWUZJDYKKAMIGP-CYBMUJFWSA-N 1 0 245.326 1.875 10 10 BDCERO FC(F)Oc1ccc(N2CC[NH2+]CC2)cc1 ZINC000037396334 132344207 /nfs/dbraw/zinc/34/42/07/132344207.db2.gz SNLZMYWJIRQHAC-UHFFFAOYSA-N 1 0 228.242 1.698 10 10 BDCERO [NH3+]Cc1ccc(N2CCN(C3CC3)CC2)c(F)c1 ZINC000042489537 132352591 /nfs/dbraw/zinc/35/25/91/132352591.db2.gz YGGVDWUPOPZKJA-UHFFFAOYSA-N 1 0 249.333 1.569 10 10 BDCERO C[NH2+]Cc1ccc(N2CCC[C@@H](O)C2)cc1 ZINC000042469573 132352602 /nfs/dbraw/zinc/35/26/02/132352602.db2.gz GYFMZQKCAXXMHW-CYBMUJFWSA-N 1 0 220.316 1.367 10 10 BDCERO C[C@H]1C[C@H]([NH3+])CCN1c1ccc2c(c1)OCO2 ZINC000049710006 132357499 /nfs/dbraw/zinc/35/74/99/132357499.db2.gz GGUOJANOBCZVTC-VHSXEESVSA-N 1 0 234.299 1.731 10 10 BDCERO [NH3+]Cc1ccc(N2CCC[C@@H](O)C2)c(Cl)c1 ZINC000062792915 132388558 /nfs/dbraw/zinc/38/85/58/132388558.db2.gz TWKSWGYJVOGPND-SNVBAGLBSA-N 1 0 240.734 1.760 10 10 BDCERO C[C@H]1CN(c2ccc3c(c2)OCO3)CC[NH2+]1 ZINC000071522357 132393287 /nfs/dbraw/zinc/39/32/87/132393287.db2.gz TYWKQAWMSGEMIW-VIFPVBQESA-N 1 0 220.272 1.213 10 10 BDCERO CC(C)C[NH2+]CCc1ccc(O)c(O)c1 ZINC000039096818 167004865 /nfs/dbraw/zinc/00/48/65/167004865.db2.gz FHHLWPFWXLHGBF-UHFFFAOYSA-N 1 0 209.289 1.886 10 10 BDCERO CCN(CC)c1ccc2c(c1)NC(=O)[C@H]2[NH3+] ZINC000102452208 169804812 /nfs/dbraw/zinc/80/48/12/169804812.db2.gz LRADXIAJYPSOKZ-NSHDSACASA-N 1 0 219.288 1.485 10 10 BDCERO CCN(c1ccc(OC)c(OC)c1)[C@@H](C)C[NH3+] ZINC000020261355 169941964 /nfs/dbraw/zinc/94/19/64/169941964.db2.gz IGLJANWLJCZNPI-JTQLQIEISA-N 1 0 238.331 1.877 10 10 BDCERO CCNC(=O)C[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000036780485 170064674 /nfs/dbraw/zinc/06/46/74/170064674.db2.gz GQDDWLURSMNWME-JTQLQIEISA-N 1 0 236.315 1.487 10 10 BDCERO CCO[C@H](c1ccc(O)c(O)c1)[C@H](C)[NH3+] ZINC000039097115 170504459 /nfs/dbraw/zinc/50/44/59/170504459.db2.gz LGHHPMLYUUFKNB-CPCISQLKSA-N 1 0 211.261 1.523 10 10 BDCERO CC[C@@H]1CCN(c2ccc3c(c2)OCO3)CC[NH2+]1 ZINC000049661787 171013889 /nfs/dbraw/zinc/01/38/89/171013889.db2.gz FQBLPNGYPMREEE-LLVKDONJSA-N 1 0 248.326 1.994 10 10 BDCERO CC[C@@H]1C[N@H+](CCc2ccc(N)cc2)CCO1 ZINC000036768902 171083075 /nfs/dbraw/zinc/08/30/75/171083075.db2.gz AGSGSBAASIFIIL-CQSZACIVSA-N 1 0 234.343 1.922 10 10 BDCERO CC[C@@H]1Cc2c(O)c(O)ccc2[C@H](C[NH3+])O1 ZINC000013823817 171143494 /nfs/dbraw/zinc/14/34/94/171143494.db2.gz YNUUJSAVGPCWBG-HQJQHLMTSA-N 1 0 223.272 1.449 10 10 BDCERO CN(CCO)c1ccc(C[NH3+])cc1Cl ZINC000062792953 172762235 /nfs/dbraw/zinc/76/22/35/172762235.db2.gz LLCXHPNZQKKAOP-UHFFFAOYSA-N 1 0 214.696 1.227 10 10 BDCERO C[N@@H+]1CCC[C@H](COc2ccc(N)cc2)C1 ZINC000015937403 173042981 /nfs/dbraw/zinc/04/29/81/173042981.db2.gz GHHQEFHFJVAIQD-NSHDSACASA-N 1 0 220.316 1.989 10 10 BDCERO CN1CCc2cc(C[NH2+][C@@H]3CCCOC3)ccc21 ZINC000076690957 173169928 /nfs/dbraw/zinc/16/99/28/173169928.db2.gz KKBHWQFCANNKCN-CQSZACIVSA-N 1 0 246.354 1.948 10 10 BDCERO C[N@@H+]1CCc2cc3c(c(O)c2C1)OCO3 ZINC000032204211 173171381 /nfs/dbraw/zinc/17/13/81/173171381.db2.gz FMOFBNZLIUAYPT-UHFFFAOYSA-N 1 0 207.229 1.109 10 10 BDCERO C[NH2+]C[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1 ZINC000011892381 173370386 /nfs/dbraw/zinc/37/03/86/173370386.db2.gz IOINGGSIBLEMNB-NSHDSACASA-N 1 0 248.326 1.504 10 10 BDCERO COc1ccc(N(C)C[C@H](C)C[NH3+])cc1OC ZINC000049829391 175136566 /nfs/dbraw/zinc/13/65/66/175136566.db2.gz UXFVXXFHFXELRM-SNVBAGLBSA-N 1 0 238.331 1.735 10 10 BDCERO C[C@H]([NH2+]C[C@H]1CCOC1)c1ccc(O)cc1O ZINC000037738199 176869143 /nfs/dbraw/zinc/86/91/43/176869143.db2.gz XHLPREPXXHDVNT-VHSXEESVSA-N 1 0 237.299 1.785 10 10 BDCERO C[C@H]([NH2+]Cc1cn[nH]c1)c1cc(O)ccc1O ZINC000038005737 176881324 /nfs/dbraw/zinc/88/13/24/176881324.db2.gz WIICTNXIUKCBLB-QMMMGPOBSA-N 1 0 233.271 1.672 10 10 BDCERO C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cc(N)ccc1O ZINC000035782545 177261270 /nfs/dbraw/zinc/26/12/70/177261270.db2.gz NQKBMSMKAQIKNQ-ZJUUUORDSA-N 1 0 236.315 1.584 10 10 BDCERO CC[NH2+]Cc1ccc(N2CCOCC2)cc1C ZINC000050580955 535478454 /nfs/dbraw/zinc/47/84/54/535478454.db2.gz WAAWASOPGVCZNW-UHFFFAOYSA-N 1 0 234.343 1.941 10 10 BDCERO COc1ccc(N2CCC([NH3+])CC2)cc1F ZINC000037290781 536670160 /nfs/dbraw/zinc/67/01/60/536670160.db2.gz SKZCHKOZIAXMJF-UHFFFAOYSA-N 1 0 224.279 1.762 10 10 BDCERO [NH3+][C@H](CF)c1ccc(N2CCOCC2)c(F)c1 ZINC000757131910 586426523 /nfs/dbraw/zinc/42/65/23/586426523.db2.gz ASQWYJRWNYBXMT-LLVKDONJSA-N 1 0 242.269 1.632 10 10 BDCERO C[C@@H](O)[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000309953946 634049955 /nfs/dbraw/zinc/04/99/55/634049955.db2.gz HKNMGMYMNZKRDP-XHNCKOQMSA-N 1 0 227.279 1.951 10 10 BDCERO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCNC2=O)c1 ZINC000050394923 643695031 /nfs/dbraw/zinc/69/50/31/643695031.db2.gz SMJBGLWKCLSXRA-CMPLNLGQSA-N 1 0 248.326 1.630 10 10 BDCERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCNC2=O)c(O)c1 ZINC000050394623 643695493 /nfs/dbraw/zinc/69/54/93/643695493.db2.gz LYGSUGXQOILARF-CMPLNLGQSA-N 1 0 248.326 1.630 10 10 BDCERO Cc1cc(O)c([C@H]([NH3+])CN)cc1Cl ZINC000072200587 178197600 /nfs/dbraw/zinc/19/76/00/178197600.db2.gz ZLFGTUPWPWHSIM-MRVPVSSYSA-N 1 0 200.669 1.313 10 10 BDCERO NC[C@H]([NH3+])c1cc(OC(F)(F)F)ccc1O ZINC000072201330 343069453 /nfs/dbraw/zinc/06/94/53/343069453.db2.gz KYMLBNMKNJWQTN-ZETCQYMHSA-N 1 0 236.193 1.249 10 10 BDCERO COc1ccc2c(c1)CC[C@H]1C[NH2+]CCN21 ZINC000084779662 343542757 /nfs/dbraw/zinc/54/27/57/343542757.db2.gz TYHGDKRDHDPVOC-NSHDSACASA-N 1 0 218.300 1.420 10 10 BDCERO Cc1cccc(C[NH2+][C@H]2CCC(=O)N[C@H]2C)c1O ZINC000281863233 179101762 /nfs/dbraw/zinc/10/17/62/179101762.db2.gz VPAYOEHNRBNOTP-JQWIXIFHSA-N 1 0 248.326 1.457 10 10 BDCERO CCOC(=O)CC(C)(C)CC(=O)C[N+]#N ZINC000584604397 358263285 /nfs/dbraw/zinc/26/32/85/358263285.db2.gz AOMRMOKDOMCYIF-UHFFFAOYSA-N 1 0 212.249 1.226 10 10 BDCERO N#[N+]CC(=O)[C@H]1CCc2cc(O)ccc2C1 ZINC000584657424 358309395 /nfs/dbraw/zinc/30/93/95/358309395.db2.gz AJAZPOUGWFDSBC-JTQLQIEISA-N 1 0 216.240 1.367 10 10 BDCERO [NH3+][C@H]1CCN(c2ccc(OC(F)F)cc2)C1 ZINC000037242378 181651406 /nfs/dbraw/zinc/65/14/06/181651406.db2.gz DEFFHFCIJKGVBR-QMMMGPOBSA-N 1 0 228.242 1.825 10 10 BDCERO CCCN(C)c1ccc2c(c1)NC(=O)[C@@H]2[NH3+] ZINC000102453850 169088013 /nfs/dbraw/zinc/08/80/13/169088013.db2.gz JVLOKEAZLLLMEX-LLVKDONJSA-N 1 0 219.288 1.485 10 10 BDCERO Oc1ccc(-c2noc([C@H]3CCC[NH2+]3)n2)cc1O ZINC000096880761 183265833 /nfs/dbraw/zinc/26/58/33/183265833.db2.gz BCCPLMOOPUYPMI-MRVPVSSYSA-N 1 0 247.254 1.572 10 10 BDCERO Oc1ccc(C[NH2+]Cc2nccs2)c(O)c1 ZINC000041011594 183270302 /nfs/dbraw/zinc/27/03/02/183270302.db2.gz IWAJVVYEPKJOLW-UHFFFAOYSA-N 1 0 236.296 1.844 10 10 BDCERO Oc1ccc(C[NH2+]C[C@@H]2CCCOC2)cc1O ZINC000038043794 183270912 /nfs/dbraw/zinc/27/09/12/183270912.db2.gz IBMBMJMVWIRUGD-NSHDSACASA-N 1 0 237.299 1.614 10 10 BDCERO Oc1ccc(C[NH2+]CCc2c[nH]cn2)c(O)c1 ZINC000083359660 183270960 /nfs/dbraw/zinc/27/09/60/183270960.db2.gz ADENONZRVSEDCN-UHFFFAOYSA-N 1 0 233.271 1.153 10 10 BDCERO c1cc(N2CCC[NH2+]CCC2)cc2c1OCO2 ZINC000049665605 183369798 /nfs/dbraw/zinc/36/97/98/183369798.db2.gz NCMCJYXABFHLSF-UHFFFAOYSA-N 1 0 234.299 1.605 10 10 BDCERO CCc1cccc(C[NH2+]CC2CC(O)C2)c1O ZINC000529675048 384800109 /nfs/dbraw/zinc/80/01/09/384800109.db2.gz OUHOAIMNBQVMOZ-UHFFFAOYSA-N 1 0 235.327 1.815 10 10 BDCERO C[NH+](C)C[C@@H]1OCc2c1ccc(O)c2O ZINC000029485513 385000427 /nfs/dbraw/zinc/00/04/27/385000427.db2.gz UIMQDIGDCIXDIY-JTQLQIEISA-N 1 0 209.245 1.231 10 10 BDCERO [NH3+][C@H](CC(F)F)c1cc(O)ccc1O ZINC000575437396 387106512 /nfs/dbraw/zinc/10/65/12/387106512.db2.gz DRSDZFAIRKHCRC-SSDOTTSWSA-N 1 0 203.188 1.753 10 10 BDCERO [NH3+][C@@H](CC(F)F)c1cc(O)ccc1O ZINC000575437981 387113010 /nfs/dbraw/zinc/11/30/10/387113010.db2.gz DRSDZFAIRKHCRC-ZETCQYMHSA-N 1 0 203.188 1.753 10 10 BDCERO [NH3+]CCC[C@H]([NH3+])c1cccc(Cl)c1[O-] ZINC000575440143 387127282 /nfs/dbraw/zinc/12/72/82/387127282.db2.gz KIMNSMOPDNVVDJ-VIFPVBQESA-N 1 0 214.696 1.784 10 10 BDCERO c1cc(N2CC[NH2+]CC2)ccc1OCC1CC1 ZINC000036765344 132342512 /nfs/dbraw/zinc/34/25/12/132342512.db2.gz XIHAVDSCJHTRFO-UHFFFAOYSA-N 1 0 232.327 1.885 10 10 BDCERO C[NH2+]C1CCN(c2ccc3c(c2)OCO3)CC1 ZINC000037242205 132343829 /nfs/dbraw/zinc/34/38/29/132343829.db2.gz CYFJUPJFRILQCB-UHFFFAOYSA-N 1 0 234.299 1.604 10 10 BDCERO CC(=O)N1CCN(c2ccc(C[NH3+])cc2C)CC1 ZINC000037733154 132345274 /nfs/dbraw/zinc/34/52/74/132345274.db2.gz QLKRDDGLMVPUFZ-UHFFFAOYSA-N 1 0 247.342 1.122 10 10 BDCERO Cc1cc(C[NH3+])ccc1N1CCC[C@@H](C(N)=O)C1 ZINC000037733146 132345306 /nfs/dbraw/zinc/34/53/06/132345306.db2.gz QQAOVDCFNOLONY-GFCCVEGCSA-N 1 0 247.342 1.155 10 10 BDCERO C[C@H]1CC[C@H](C(N)=O)CN1c1ccc(C[NH3+])cc1 ZINC000042427015 132351996 /nfs/dbraw/zinc/35/19/96/132351996.db2.gz FKBKRENTJUZILD-JQWIXIFHSA-N 1 0 247.342 1.236 10 10 BDCERO C[C@@H]1CN(c2ccc3c(c2)OCCO3)CC[NH2+]1 ZINC000054348298 132364096 /nfs/dbraw/zinc/36/40/96/132364096.db2.gz MDXZBXLPZOYLQU-SNVBAGLBSA-N 1 0 234.299 1.256 10 10 BDCERO C[C@@H]1CN(c2ccc3c(c2)OCO3)[C@H](C)C[NH2+]1 ZINC000071543990 132393569 /nfs/dbraw/zinc/39/35/69/132393569.db2.gz XGGMTFKQMCOZQU-NXEZZACHSA-N 1 0 234.299 1.602 10 10 BDCERO CC(C)C[NH2+]CCOc1ccc(N)cc1 ZINC000041217965 167005276 /nfs/dbraw/zinc/00/52/76/167005276.db2.gz YSRCSPJGDAGCGI-UHFFFAOYSA-N 1 0 208.305 1.893 10 10 BDCERO CC[NH2+][C@@H](C)c1ccc(N2CC[C@H](O)C2)cc1 ZINC000061710650 170142112 /nfs/dbraw/zinc/14/21/12/170142112.db2.gz CBKZFJAPOQJCCA-FZMZJTMJSA-N 1 0 234.343 1.928 10 10 BDCERO CN(C)C(=O)CCN(C)c1ccc(C[NH3+])cc1 ZINC000037897755 172357669 /nfs/dbraw/zinc/35/76/69/172357669.db2.gz OFKGAQDREMLKOM-UHFFFAOYSA-N 1 0 235.331 1.060 10 10 BDCERO C[NH+](C)[C@@H]1CCc2cc(O)c(O)cc2C1 ZINC000005965151 172530978 /nfs/dbraw/zinc/53/09/78/172530978.db2.gz JWLJBTDXCBIGBW-SNVBAGLBSA-N 1 0 207.273 1.517 10 10 BDCERO CN1CC[NH+](CCCNc2ccc(N)cc2)CC1 ZINC000090505097 173080237 /nfs/dbraw/zinc/08/02/37/173080237.db2.gz MEMCCQUMSXPDPE-UHFFFAOYSA-N 1 0 248.374 1.318 10 10 BDCERO CNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000042561815 173295747 /nfs/dbraw/zinc/29/57/47/173295747.db2.gz JHTVXEZBDCOCPM-GHMZBOCLSA-N 1 0 249.358 1.538 10 10 BDCERO COc1cc(OC)c(N(C)CC[NH3+])c(OC)c1 ZINC000107291594 175007353 /nfs/dbraw/zinc/00/73/53/175007353.db2.gz BYNNKYSLEHLQFY-UHFFFAOYSA-N 1 0 240.303 1.107 10 10 BDCERO COc1ccc(N(C)[C@@H](C)CC[NH3+])c(OC)c1 ZINC000049829387 175136663 /nfs/dbraw/zinc/13/66/63/175136663.db2.gz SQTJIDXMCAYBQY-JTQLQIEISA-N 1 0 238.331 1.877 10 10 BDCERO COc1ccc(N2CC[C@@H]([NH3+])C2)c(OC)c1 ZINC000033427028 175139785 /nfs/dbraw/zinc/13/97/85/175139785.db2.gz NDVRCKBVQBBCNV-SECBINFHSA-N 1 0 222.288 1.241 10 10 BDCERO COc1ccc(O)c(C[NH2+][C@@H]2C[C@H]2C)c1 ZINC000052272080 175159000 /nfs/dbraw/zinc/15/90/00/175159000.db2.gz CUMXAZUIDZPTNJ-LDYMZIIASA-N 1 0 207.273 1.899 10 10 BDCERO C[C@@H]([NH3+])c1ccc(N(C)C[C@@H](C)O)c(F)c1 ZINC000051821018 175968728 /nfs/dbraw/zinc/96/87/28/175968728.db2.gz JLCIEMUWSCBCPD-RKDXNWHRSA-N 1 0 226.295 1.662 10 10 BDCERO C[C@H](O)[C@@H]([NH3+])c1ccc2[nH]ccc2c1O ZINC000089204354 177006664 /nfs/dbraw/zinc/00/66/64/177006664.db2.gz MAICYBKZWPYRAX-QUBYGPBYSA-N 1 0 206.245 1.254 10 10 BDCERO C[C@H]1C[NH2+]CCCN(c2ccc3c(c2)OCO3)C1 ZINC000049665598 177281814 /nfs/dbraw/zinc/28/18/14/177281814.db2.gz DOTOQTPSYHRSBO-NSHDSACASA-N 1 0 248.326 1.851 10 10 BDCERO Cc1c2c(CC[NH3+])c[nH]c2cc(O)c1O ZINC000006069189 177621515 /nfs/dbraw/zinc/62/15/15/177621515.db2.gz DYUWKOKEHHGKGW-UHFFFAOYSA-N 1 0 206.245 1.389 10 10 BDCERO COc1ccc(N2CC[NH2+]C[C@@H]2C)c(OC)c1 ZINC000041271022 536705842 /nfs/dbraw/zinc/70/58/42/536705842.db2.gz PWXDVYWIGKQAQA-JTQLQIEISA-N 1 0 236.315 1.502 10 10 BDCERO [NH3+][C@H](CF)c1ccc(N2CCCC2)cc1O ZINC000757134234 586426768 /nfs/dbraw/zinc/42/67/68/586426768.db2.gz MMQCXMHTDQOXLV-LLVKDONJSA-N 1 0 224.279 1.962 10 10 BDCERO C[C@H](O)[C@H](C)[NH2+]Cc1cc(F)ccc1O ZINC000379923794 712627760 /nfs/dbraw/zinc/62/77/60/712627760.db2.gz JRJPVIGWEAVZLM-YUMQZZPRSA-N 1 0 213.252 1.390 10 10 BDCERO Cc1ccc(O)c([C@@H](C)[NH2+]C2CC(C(N)=O)C2)c1 ZINC000716733233 712571564 /nfs/dbraw/zinc/57/15/64/712571564.db2.gz YWMIUNFAFKGXAJ-KPPDAEKUSA-N 1 0 248.326 1.615 10 10 BDCERO Cc1cccc(C[NH2+][C@H](C)c2cn(C)nn2)c1O ZINC000720593776 712856392 /nfs/dbraw/zinc/85/63/92/712856392.db2.gz BQHRSSRNPDPJGG-SNVBAGLBSA-N 1 0 246.314 1.680 10 10 BDCERO Cc1cc(N(CC(N)=O)CC(C)C)ccc1C[NH3+] ZINC000050584498 178102872 /nfs/dbraw/zinc/10/28/72/178102872.db2.gz ALCXATMGWGIHGJ-UHFFFAOYSA-N 1 0 249.358 1.401 10 10 BDCERO CC1(C)C[C@H]([NH3+])c2ccc(O)c(O)c2O1 ZINC000011848989 187250457 /nfs/dbraw/zinc/25/04/57/187250457.db2.gz IXWFEVDAOJGEPO-ZETCQYMHSA-N 1 0 209.245 1.659 10 10 BDCERO C[C@H](O)[C@@H]1CCC[N@@H+]1Cc1ccc(N)cc1 ZINC000146681548 343305252 /nfs/dbraw/zinc/30/52/52/343305252.db2.gz IZPOHWUZLKPKQN-GWCFXTLKSA-N 1 0 220.316 1.614 10 10 BDCERO Cc1ccc(O)c(C[NH2+]CC[C@@H](C)O)c1 ZINC000078780374 187280460 /nfs/dbraw/zinc/28/04/60/187280460.db2.gz PAIFFKDBCXKHLW-SNVBAGLBSA-N 1 0 209.289 1.561 10 10 BDCERO [NH3+]CC[C@H]([NH3+])c1c([O-])c(Cl)ccc1F ZINC000306969503 351386656 /nfs/dbraw/zinc/38/66/56/351386656.db2.gz PTOVJSNDGPKBPN-ZETCQYMHSA-N 1 0 218.659 1.533 10 10 BDCERO C[C@H]1Cc2nc[nH]c2[C@H](c2ccccc2O)[NH2+]1 ZINC000584647975 358302765 /nfs/dbraw/zinc/30/27/65/358302765.db2.gz NCQYLJPYWGWZME-UFBFGSQYSA-N 1 0 229.283 1.739 10 10 BDCERO COc1ccc(C(=O)C[N+]#N)cc1OC ZINC000004536624 368942478 /nfs/dbraw/zinc/94/24/78/368942478.db2.gz JYGVTDIEXSEFPU-UHFFFAOYSA-N 1 0 206.201 1.187 10 10 BDCERO [NH3+]C[C@H]1CCCCc2c(O)c(O)ccc21 ZINC000029211118 181459509 /nfs/dbraw/zinc/45/95/09/181459509.db2.gz VAHWWHMNWYGJKU-MRVPVSSYSA-N 1 0 207.273 1.867 10 10 BDCERO [NH3+]Cc1cc(F)c(N2CCC[C@@H]2CO)c(F)c1 ZINC000062711702 181477341 /nfs/dbraw/zinc/47/73/41/181477341.db2.gz UTQQETUQBNHICT-SECBINFHSA-N 1 0 242.269 1.385 10 10 BDCERO Oc1ccc(C[NH2+]Cc2ccncc2)c(O)c1O ZINC000083374924 183269972 /nfs/dbraw/zinc/26/99/72/183269972.db2.gz ILYVLJVDAQBJCU-UHFFFAOYSA-N 1 0 246.266 1.488 10 10 BDCERO Oc1ccc(C[NH2+]C[C@@H]2CCCO2)cc1O ZINC000019963434 183270047 /nfs/dbraw/zinc/27/00/47/183270047.db2.gz DOUJLPZHNRRTFD-JTQLQIEISA-N 1 0 223.272 1.366 10 10 BDCERO Oc1ccc(C[NH2+]CCCn2ccnc2)cc1O ZINC000020305974 183270931 /nfs/dbraw/zinc/27/09/31/183270931.db2.gz CCUDLAMAIJZVAU-UHFFFAOYSA-N 1 0 247.298 1.474 10 10 BDCERO CCCN(CC)c1ccc2c(c1)NC(=O)[C@H]2[NH3+] ZINC000036194600 169133053 /nfs/dbraw/zinc/13/30/53/169133053.db2.gz PUTPNQJXINQXGP-LBPRGKRZSA-N 1 0 233.315 1.875 10 10 BDCERO Oc1cccc(C[NH2+]C[C@H]2CCCCO2)c1O ZINC000042817683 183291554 /nfs/dbraw/zinc/29/15/54/183291554.db2.gz LCTFPZMRVWBZRS-LLVKDONJSA-N 1 0 237.299 1.757 10 10 BDCERO Oc1ccccc1C[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000037165072 183303901 /nfs/dbraw/zinc/30/39/01/183303901.db2.gz CLVFNBRIOCWJEX-NWDGAFQWSA-N 1 0 221.300 1.785 10 10 BDCERO CCCNC(=O)CN(CC)c1ccc(C[NH3+])cc1 ZINC000034654368 169218884 /nfs/dbraw/zinc/21/88/84/169218884.db2.gz VSJKNTXQNGOUIC-UHFFFAOYSA-N 1 0 249.358 1.498 10 10 BDCERO C[NH2+][C@@H](CO)c1ccc2[nH]ccc2c1O ZINC000089204324 383946864 /nfs/dbraw/zinc/94/68/64/383946864.db2.gz OGVKBGIPWAUAFX-JTQLQIEISA-N 1 0 206.245 1.126 10 10 BDCERO Nc1ccc(OC[C@H]2CCC[NH2+]C2)cc1 ZINC000575434139 387058758 /nfs/dbraw/zinc/05/87/58/387058758.db2.gz HGTRLOHUSXAJRT-JTQLQIEISA-N 1 0 206.289 1.647 10 10 BDCERO [NH3+][C@@H](CC(F)F)c1c(O)cc(O)cc1O ZINC000575437524 387109897 /nfs/dbraw/zinc/10/98/97/387109897.db2.gz ICFDYRQGOCXQKL-YFKPBYRVSA-N 1 0 219.187 1.458 10 10 BDCERO [NH3+][C@H](CC(F)F)c1cccc(O)c1O ZINC000575437603 387109963 /nfs/dbraw/zinc/10/99/63/387109963.db2.gz JJAJIIZCNJMLRO-ZCFIWIBFSA-N 1 0 203.188 1.753 10 10 BDCERO [NH3+][C@@H](CCF)c1ccc(O)c(O)c1O ZINC000575440335 388631112 /nfs/dbraw/zinc/63/11/12/388631112.db2.gz OPKVFODCMNAVQP-LURJTMIESA-N 1 0 201.197 1.163 10 10 BDCERO C[NH2+]CCN1CCN(c2ccc(OC)cc2)CC1 ZINC000019685487 132326246 /nfs/dbraw/zinc/32/62/46/132326246.db2.gz GOGWLUMMTBJXCV-UHFFFAOYSA-N 1 0 249.358 1.037 10 10 BDCERO C[C@H]1CN(c2ccc(C[NH3+])cc2)CCO1 ZINC000019865387 132328001 /nfs/dbraw/zinc/32/80/01/132328001.db2.gz FBUJOCJCWHUXAX-JTQLQIEISA-N 1 0 206.289 1.370 10 10 BDCERO CC(=O)N1CCN(c2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000019872485 132328472 /nfs/dbraw/zinc/32/84/72/132328472.db2.gz BXFVVARSGJGBQF-LLVKDONJSA-N 1 0 247.342 1.375 10 10 BDCERO C[C@@H]([NH3+])c1ccc(N2CCO[C@H](C)C2)cc1 ZINC000019872135 132328531 /nfs/dbraw/zinc/32/85/31/132328531.db2.gz LGWMHFVMJKLXJB-GHMZBOCLSA-N 1 0 220.316 1.931 10 10 BDCERO [NH3+]Cc1ccc(N2CCC[C@H](CO)C2)cc1 ZINC000036205665 132340752 /nfs/dbraw/zinc/34/07/52/132340752.db2.gz RQDLLCKVATVOFF-LBPRGKRZSA-N 1 0 220.316 1.354 10 10 BDCERO [NH3+]Cc1ccc(N2CCC[C@@H](O)C2)c(F)c1 ZINC000036887015 132342985 /nfs/dbraw/zinc/34/29/85/132342985.db2.gz KEQUKYGCRSGCHE-SNVBAGLBSA-N 1 0 224.279 1.246 10 10 BDCERO C[NH2+]Cc1ccc(N2CCCC[C@H]2C(N)=O)cc1 ZINC000042405673 132351182 /nfs/dbraw/zinc/35/11/82/132351182.db2.gz ZYNGOHBUNIKOPO-ZDUSSCGKSA-N 1 0 247.342 1.250 10 10 BDCERO C[C@@H]([NH3+])c1ccc(N2CCn3ccnc3C2)cc1 ZINC000062252892 132387348 /nfs/dbraw/zinc/38/73/48/132387348.db2.gz GNOSWZAPWDAYCO-LLVKDONJSA-N 1 0 242.326 1.923 10 10 BDCERO c1cc(N2CC[NH2+]CC2)ccc1O[C@@H]1CCOC1 ZINC000070072067 132391524 /nfs/dbraw/zinc/39/15/24/132391524.db2.gz QBZQKQLBWXOACV-CQSZACIVSA-N 1 0 248.326 1.264 10 10 BDCERO CC(C)[NH2+][C@@H]1Cc2ccc(O)c(O)c2C1 ZINC000029227994 167136407 /nfs/dbraw/zinc/13/64/07/167136407.db2.gz NJQHTIVVFOQECO-SECBINFHSA-N 1 0 207.273 1.563 10 10 BDCERO CCNC(=O)C[NH2+][C@@H](CC)c1ccccc1O ZINC000036780344 170065924 /nfs/dbraw/zinc/06/59/24/170065924.db2.gz PUIVZJBNFGXVMA-NSHDSACASA-N 1 0 236.315 1.569 10 10 BDCERO CC[NH2+]C[C@H]1CCc2c1ccc(O)c2O ZINC000029209076 170123225 /nfs/dbraw/zinc/12/32/25/170123225.db2.gz GJWWFKLPFVPKEG-MRVPVSSYSA-N 1 0 207.273 1.737 10 10 BDCERO CC[NH2+]Cc1ccc(N(C)CC(=O)N(C)C)cc1 ZINC000037271418 170126955 /nfs/dbraw/zinc/12/69/55/170126955.db2.gz VLROHOAAOWLRBD-UHFFFAOYSA-N 1 0 249.358 1.321 10 10 BDCERO CC[NH2+][C@H]1c2ccc(N3CCCC3)cc2NC1=O ZINC000036193526 170149457 /nfs/dbraw/zinc/14/94/57/170149457.db2.gz VVRSXEHLOGCSPL-ZDUSSCGKSA-N 1 0 245.326 1.890 10 10 BDCERO CC[C@H](C)[NH2+][C@@H](C(N)=O)c1ccc(O)c(O)c1 ZINC000038064841 171345170 /nfs/dbraw/zinc/34/51/70/171345170.db2.gz YXMMOTHKHBSFLW-WRWORJQWSA-N 1 0 238.287 1.012 10 10 BDCERO CN(C)C(C)(C)C[NH2+]Cc1ccc(O)cc1O ZINC000020125737 172395266 /nfs/dbraw/zinc/39/52/66/172395266.db2.gz GBNPHCPEFJRQCB-UHFFFAOYSA-N 1 0 238.331 1.528 10 10 BDCERO C[N@@H+]1CCC[C@@H](c2ccc(O)c(O)c2)C1 ZINC000033829003 173023336 /nfs/dbraw/zinc/02/33/36/173023336.db2.gz UWXIEGJSOHTCPF-SNVBAGLBSA-N 1 0 207.273 1.907 10 10 BDCERO C[NH2+]CCCN(C)c1ccc2c(c1)OCCO2 ZINC000077372742 173347127 /nfs/dbraw/zinc/34/71/27/173347127.db2.gz JNGVTEHRDGLIBO-UHFFFAOYSA-N 1 0 236.315 1.504 10 10 BDCERO C[NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000011892307 173370265 /nfs/dbraw/zinc/37/02/65/173370265.db2.gz IZLOKSVQNANNGK-NSHDSACASA-N 1 0 220.316 1.741 10 10 BDCERO C[NH2+]C[C@@H]1CCN(c2ccc3c(c2)OCO3)C1 ZINC000011892375 173370514 /nfs/dbraw/zinc/37/05/14/173370514.db2.gz ZBZUQOAKXQSIDT-JTQLQIEISA-N 1 0 234.299 1.461 10 10 BDCERO C[NH2+]Cc1cc(F)c(N(C)C[C@@H](C)O)c(F)c1 ZINC000062719048 173387021 /nfs/dbraw/zinc/38/70/21/173387021.db2.gz JRNQBWQRIRHQBE-MRVPVSSYSA-N 1 0 244.285 1.501 10 10 BDCERO COc1ccc(N2CC[C@H](C[NH3+])C2)cc1F ZINC000037290786 175139410 /nfs/dbraw/zinc/13/94/10/175139410.db2.gz QFFGCKPNOVNCOP-SECBINFHSA-N 1 0 224.279 1.619 10 10 BDCERO COc1ccc(N2CC[C@@H](C[NH3+])C2)c(OC)c1 ZINC000011891703 175139546 /nfs/dbraw/zinc/13/95/46/175139546.db2.gz SEFWZXFOWXEPRI-JTQLQIEISA-N 1 0 236.315 1.489 10 10 BDCERO C[C@@H](c1ccc(N(C)C)cc1)N1CC[NH2+]CC1 ZINC000038086782 176016220 /nfs/dbraw/zinc/01/62/20/176016220.db2.gz SFXGXPVEBDYESC-LBPRGKRZSA-N 1 0 233.359 1.719 10 10 BDCERO C[C@@H](c1ccc(O)cc1O)N1CC[NH2+]CC1 ZINC000038086704 176016883 /nfs/dbraw/zinc/01/68/83/176016883.db2.gz RQTIMHCLTZYXDX-VIFPVBQESA-N 1 0 222.288 1.064 10 10 BDCERO C[C@@H](c1ccccc1O)N1CCC[C@H]([NH3+])C1 ZINC000041027888 176026948 /nfs/dbraw/zinc/02/69/48/176026948.db2.gz WYXIEKSLFIBGBN-QWRGUYRKSA-N 1 0 220.316 1.876 10 10 BDCERO C[C@@H]1CCN(c2ccc3c(c2)OCO3)CCC[NH2+]1 ZINC000049665580 176181871 /nfs/dbraw/zinc/18/18/71/176181871.db2.gz JWGDEJMOLFQQAV-LLVKDONJSA-N 1 0 248.326 1.994 10 10 BDCERO C[C@H]([NH3+])c1ccc(N2CCCOCC2)cc1 ZINC000061919153 176776775 /nfs/dbraw/zinc/77/67/75/176776775.db2.gz KCZZINNAYJFTHG-NSHDSACASA-N 1 0 220.316 1.933 10 10 BDCERO C[C@H]([NH3+])c1ccc(N2CC[C@H](O)C2)c(Cl)c1 ZINC000061710671 176776805 /nfs/dbraw/zinc/77/68/05/176776805.db2.gz MTELNVSXHGNKKO-WPRPVWTQSA-N 1 0 240.734 1.931 10 10 BDCERO C[C@H](c1ccc(O)cc1O)N(C)CC[NH3+] ZINC000054416764 177035319 /nfs/dbraw/zinc/03/53/19/177035319.db2.gz PHMGAWQFRRNBCA-MRVPVSSYSA-N 1 0 210.277 1.049 10 10 BDCERO C[C@H](c1ccccc1O)N(C)C(=O)CCC[NH3+] ZINC000037826532 177042384 /nfs/dbraw/zinc/04/23/84/177042384.db2.gz KKRHZAPMKAKXEH-SNVBAGLBSA-N 1 0 236.315 1.651 10 10 BDCERO C[C@H]1CCCN1c1ccc2c(c1)NC(=O)[C@@H]2[NH3+] ZINC000037911155 177111470 /nfs/dbraw/zinc/11/14/70/177111470.db2.gz QJXPOQTUQVCOEP-QPUJVOFHSA-N 1 0 231.299 1.627 10 10 BDCERO O=C(NCc1ccccc1O)[C@H]1CCC[NH2+]C1 ZINC000082280827 643294037 /nfs/dbraw/zinc/29/40/37/643294037.db2.gz VKBJUEFKQYYPRG-NSHDSACASA-N 1 0 234.299 1.008 10 10 BDCERO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCNC2=O)c(O)c1 ZINC000050394622 643694756 /nfs/dbraw/zinc/69/47/56/643694756.db2.gz LYGSUGXQOILARF-ZYHUDNBSSA-N 1 0 248.326 1.630 10 10 BDCERO CC[C@H]([NH3+])c1cc(CCOC)ccc1O ZINC000238311844 711889219 /nfs/dbraw/zinc/88/92/19/711889219.db2.gz UMXNOAJVFQHBTR-NSHDSACASA-N 1 0 209.289 1.991 10 10 BDCERO C[C@H]([NH2+][C@H]1CCOC[C@@H]1O)c1ccccc1O ZINC000706758074 712154010 /nfs/dbraw/zinc/15/40/10/712154010.db2.gz UCYPRVWXPPAQMV-GAFUQQFSSA-N 1 0 237.299 1.193 10 10 BDCERO Cc1ccc(O)c([C@H](C)[NH2+]C2CC(C(N)=O)C2)c1 ZINC000716733237 712571515 /nfs/dbraw/zinc/57/15/15/712571515.db2.gz YWMIUNFAFKGXAJ-WHXUTIOJSA-N 1 0 248.326 1.615 10 10 BDCERO Cc1ccc(O)c(C[NH2+]C2CC(C(N)=O)C2)c1 ZINC000716782697 712573408 /nfs/dbraw/zinc/57/34/08/712573408.db2.gz JLXWCKWBKLYMIE-UHFFFAOYSA-N 1 0 234.299 1.054 10 10 BDCERO Cc1cc(N2CCC[C@H]2CO)ccc1C[NH3+] ZINC000050582984 178116588 /nfs/dbraw/zinc/11/65/88/178116588.db2.gz HYTQXDSUIXEOIY-ZDUSSCGKSA-N 1 0 220.316 1.415 10 10 BDCERO Cc1cc(O)c([C@H]([NH3+])CO)cc1Cl ZINC000072197921 178196562 /nfs/dbraw/zinc/19/65/62/178196562.db2.gz MVHQDROAOKMHFH-MRVPVSSYSA-N 1 0 201.653 1.346 10 10 BDCERO CC(C)[C@@H]([NH2+]Cc1cc(F)ccc1O)C(N)=O ZINC000231040442 538952126 /nfs/dbraw/zinc/95/21/26/538952126.db2.gz YVIWFXSFWOIUBV-LLVKDONJSA-N 1 0 240.278 1.131 10 10 BDCERO Oc1cccc(Cl)c1CNC1COC1 ZINC000127349616 344236146 /nfs/dbraw/zinc/23/61/46/344236146.db2.gz JROWRTJWNUGYCO-UHFFFAOYSA-N 1 0 213.664 1.534 10 10 BDCERO [NH2+]=C(NO)c1ccc2cc(O)c(O)cc2c1 ZINC000039097946 181200026 /nfs/dbraw/zinc/20/00/26/181200026.db2.gz FEBNSQJKMXTLJU-UHFFFAOYSA-N 1 0 218.212 1.555 10 10 BDCERO [NH3+]C1CCN(Cc2ccc(O)c(O)c2)CC1 ZINC000020521625 181344312 /nfs/dbraw/zinc/34/43/12/181344312.db2.gz PXFJMFQESHPYBV-UHFFFAOYSA-N 1 0 222.288 1.021 10 10 BDCERO C[N@@H+]1CCC[C@@H](COc2ccc(N)cc2)C1 ZINC000002538745 368846331 /nfs/dbraw/zinc/84/63/31/368846331.db2.gz GHHQEFHFJVAIQD-LLVKDONJSA-N 1 0 220.316 1.989 10 10 BDCERO Oc1ccc(C[NH2+]Cc2cn[nH]c2)c(O)c1 ZINC000038005883 183270041 /nfs/dbraw/zinc/27/00/41/183270041.db2.gz RYTKWDCQAHICRG-UHFFFAOYSA-N 1 0 219.244 1.111 10 10 BDCERO Oc1ccc(C[NH2+]C[C@H]2CCCCO2)c(O)c1 ZINC000042811968 183270236 /nfs/dbraw/zinc/27/02/36/183270236.db2.gz VBPQDFPEJJKWEI-GFCCVEGCSA-N 1 0 237.299 1.757 10 10 BDCERO CCCN(CC)c1ccc2c(c1)NC(=O)[C@@H]2[NH3+] ZINC000102453760 169133687 /nfs/dbraw/zinc/13/36/87/169133687.db2.gz PUTPNQJXINQXGP-GFCCVEGCSA-N 1 0 233.315 1.875 10 10 BDCERO Oc1ccc(F)cc1C[NH2+]C[C@@H]1CCC[C@@H]1O ZINC000226612924 183274752 /nfs/dbraw/zinc/27/47/52/183274752.db2.gz JEZSBSUPELOPSQ-CABZTGNLSA-N 1 0 239.290 1.782 10 10 BDCERO CCC[N@H+](CCC(N)=O)Cc1ccc(N)cc1 ZINC000035364845 169140245 /nfs/dbraw/zinc/14/02/45/169140245.db2.gz ILRRQCWBRCNIJB-UHFFFAOYSA-N 1 0 235.331 1.356 10 10 BDCERO CCC[N@H+](Cc1ccc(N)cc1)[C@H](C)C(N)=O ZINC000035364855 169174826 /nfs/dbraw/zinc/17/48/26/169174826.db2.gz ZLXHFDXLJLQJHK-SNVBAGLBSA-N 1 0 235.331 1.355 10 10 BDCERO CCC[NH+]1CCN(CCc2ccc(N)cc2)CC1 ZINC000020073809 169203436 /nfs/dbraw/zinc/20/34/36/169203436.db2.gz MQECTWPGWJRBBA-UHFFFAOYSA-N 1 0 247.386 1.839 10 10 BDCERO CCCNC(=O)C[NH2+]Cc1cccc(C)c1O ZINC000124645972 169227271 /nfs/dbraw/zinc/22/72/71/169227271.db2.gz VHCUPDRMWJOQOV-UHFFFAOYSA-N 1 0 236.315 1.316 10 10 BDCERO c1cc2c(cc1N1CCC[NH2+]CC1)OCCO2 ZINC000039135175 183368879 /nfs/dbraw/zinc/36/88/79/183368879.db2.gz BYXPPRKHBXJCEW-UHFFFAOYSA-N 1 0 234.299 1.258 10 10 BDCERO CCC[NH2+][C@H](C(N)=O)c1ccc(N(C)C)cc1 ZINC000037946364 169285105 /nfs/dbraw/zinc/28/51/05/169285105.db2.gz UPNMYYPXEOBEOQ-LBPRGKRZSA-N 1 0 235.331 1.279 10 10 BDCERO C[C@@H]1C[C@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000052275388 384728854 /nfs/dbraw/zinc/72/88/54/384728854.db2.gz SQVHRDAAIGROMQ-VXNVDRBHSA-N 1 0 221.256 1.619 10 10 BDCERO [NH3+][C@@H](CO)c1c(O)ccc2ccccc21 ZINC000072197946 384810685 /nfs/dbraw/zinc/81/06/85/384810685.db2.gz SCCQMKSVLGCKOO-JTQLQIEISA-N 1 0 203.241 1.538 10 10 BDCERO C[C@@H]1OCC[C@H]1[NH2+]Cc1cc(F)ccc1O ZINC000226618024 386343678 /nfs/dbraw/zinc/34/36/78/386343678.db2.gz VPVKKDVLHPLKRL-GZMMTYOYSA-N 1 0 225.263 1.798 10 10 BDCERO [NH3+][C@@H](CC(F)F)c1ccc(O)c(O)c1 ZINC000575439357 387123785 /nfs/dbraw/zinc/12/37/85/387123785.db2.gz SLOUFIIIPTYTES-LURJTMIESA-N 1 0 203.188 1.753 10 10 BDCERO COc1cc(O)c([C@@H]([NH3+])CCF)c(OC)c1 ZINC000575438412 387129250 /nfs/dbraw/zinc/12/92/50/387129250.db2.gz IUGQWQVYVISVAA-QMMMGPOBSA-N 1 0 229.251 1.769 10 10 BDCERO C[C@H]([NH3+])c1ccc(N2CCC(O)CC2)c(F)c1 ZINC000019872567 132328548 /nfs/dbraw/zinc/32/85/48/132328548.db2.gz NNTWLWROBBDLHU-VIFPVBQESA-N 1 0 238.306 1.807 10 10 BDCERO C[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000034824575 132336979 /nfs/dbraw/zinc/33/69/79/132336979.db2.gz JJHPXCPPFFITTF-UHFFFAOYSA-N 1 0 234.343 1.615 10 10 BDCERO C[NH2+]Cc1ccc(N2CCOC[C@H]2C)c(F)c1 ZINC000035777759 132339324 /nfs/dbraw/zinc/33/93/24/132339324.db2.gz HHXPDTCOCSBJIM-SNVBAGLBSA-N 1 0 238.306 1.770 10 10 BDCERO [NH3+]Cc1ccc(N2CCC[C@@H](O)C2)cc1 ZINC000036796693 132342812 /nfs/dbraw/zinc/34/28/12/132342812.db2.gz ZHMNKGUAZWCDLP-GFCCVEGCSA-N 1 0 206.289 1.106 10 10 BDCERO Cc1cc(C[NH3+])ccc1N1CCC[C@H](C(N)=O)C1 ZINC000037733145 132345258 /nfs/dbraw/zinc/34/52/58/132345258.db2.gz QQAOVDCFNOLONY-LBPRGKRZSA-N 1 0 247.342 1.155 10 10 BDCERO Cc1cc(N2CCO[C@@H](C)C2)ccc1C[NH3+] ZINC000050581166 132359337 /nfs/dbraw/zinc/35/93/37/132359337.db2.gz PKXAGLVFDZLNRW-NSHDSACASA-N 1 0 220.316 1.679 10 10 BDCERO CC(C)Oc1ccc(N(C)C[C@H](O)C[NH3+])cc1 ZINC000077384007 167295740 /nfs/dbraw/zinc/29/57/40/167295740.db2.gz QVTZKAOFEYFDQB-GFCCVEGCSA-N 1 0 238.331 1.230 10 10 BDCERO CC(C)NC(=O)C[N@H+](C)CCc1ccc(N)cc1 ZINC000042601197 167048965 /nfs/dbraw/zinc/04/89/65/167048965.db2.gz OWOCVVNEIYNORB-UHFFFAOYSA-N 1 0 249.358 1.268 10 10 BDCERO CC[NH2+]Cc1ccc(OC)c(COC)c1 ZINC000016942049 170127834 /nfs/dbraw/zinc/12/78/34/170127834.db2.gz ZQTDXYZPARVFGB-UHFFFAOYSA-N 1 0 209.289 1.951 10 10 BDCERO CC[NH2+][C@@H]1c2ccc(N(C)CC)cc2NC1=O ZINC000102453613 170165610 /nfs/dbraw/zinc/16/56/10/170165610.db2.gz GMDOOQKLSABHFB-GFCCVEGCSA-N 1 0 233.315 1.745 10 10 BDCERO CC[C@H](C)[NH2+][C@H](C(N)=O)c1ccc(N(C)C)cc1 ZINC000038065173 171347813 /nfs/dbraw/zinc/34/78/13/171347813.db2.gz ASORQAOEWXZFBB-GWCFXTLKSA-N 1 0 249.358 1.667 10 10 BDCERO CN(C[C@@H]1CCCO1)c1ccc(C[NH3+])cc1 ZINC000034653762 172813385 /nfs/dbraw/zinc/81/33/85/172813385.db2.gz YNLHMYBQIJSSFO-ZDUSSCGKSA-N 1 0 220.316 1.761 10 10 BDCERO CNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000042560272 173295406 /nfs/dbraw/zinc/29/54/06/173295406.db2.gz OTWYEEWJIQQPFP-DTWKUNHWSA-N 1 0 222.288 1.177 10 10 BDCERO C[NH2+]CC(=O)N(C)[C@H](C)c1ccccc1O ZINC000037826538 173325414 /nfs/dbraw/zinc/32/54/14/173325414.db2.gz IMQGFCSRYDNKRJ-SECBINFHSA-N 1 0 222.288 1.131 10 10 BDCERO C[NH2+]Cc1ccc(N2CC[C@H](O)C2)c(F)c1 ZINC000061711248 173389037 /nfs/dbraw/zinc/38/90/37/173389037.db2.gz YXICRZNQZCTHMM-JTQLQIEISA-N 1 0 224.279 1.116 10 10 BDCERO COC(C[NH2+]Cc1ccccc1O)OC ZINC000034455556 173963273 /nfs/dbraw/zinc/96/32/73/173963273.db2.gz KYVNEUSDAJQXCG-UHFFFAOYSA-N 1 0 211.261 1.101 10 10 BDCERO COCC[NH2+][C@@H](C)c1cc(O)ccc1O ZINC000019881528 174337747 /nfs/dbraw/zinc/33/77/47/174337747.db2.gz FVVKAMRNBAQSSQ-QMMMGPOBSA-N 1 0 211.261 1.395 10 10 BDCERO COc1cc(F)cc([C@@H]2CCC[NH2+]2)c1O ZINC000072202013 174993628 /nfs/dbraw/zinc/99/36/28/174993628.db2.gz BRQUTIGTAYRMCL-VIFPVBQESA-N 1 0 211.236 1.964 10 10 BDCERO COc1ccc(N2CC[C@@H]([NH3+])C2)cc1F ZINC000037290780 175139710 /nfs/dbraw/zinc/13/97/10/175139710.db2.gz KKZCFYBSKHLDSX-MRVPVSSYSA-N 1 0 210.252 1.372 10 10 BDCERO C[C@@H]1C[NH2+]CCCN(c2ccc3c(c2)OCO3)C1 ZINC000049665597 176324765 /nfs/dbraw/zinc/32/47/65/176324765.db2.gz DOTOQTPSYHRSBO-LLVKDONJSA-N 1 0 248.326 1.851 10 10 BDCERO Oc1cccc(Cl)c1C[NH2+]CC1CC(O)C1 ZINC000127343972 324762613 /nfs/dbraw/zinc/76/26/13/324762613.db2.gz NARDPSAOOKWXQY-UHFFFAOYSA-N 1 0 241.718 1.906 10 10 BDCERO CCOc1ccc(N2CC[NH2+][C@@H](C)C2)cc1 ZINC000016944732 535735368 /nfs/dbraw/zinc/73/53/68/535735368.db2.gz RYJUOFKIDMIREN-NSHDSACASA-N 1 0 220.316 1.883 10 10 BDCERO CC[C@@H]1C[NH2+]CCN1c1ccc(OC)cc1 ZINC000016945043 535825156 /nfs/dbraw/zinc/82/51/56/535825156.db2.gz IRKXKHHPFAOXIL-LLVKDONJSA-N 1 0 220.316 1.883 10 10 BDCERO Cc1ccc(O)c(C[N@H+]2CC[C@@H](N(C)C)C2)c1 ZINC000134165242 591898606 /nfs/dbraw/zinc/89/86/06/591898606.db2.gz XIRBOCTXSSEDML-CYBMUJFWSA-N 1 0 234.343 1.837 10 10 BDCERO [NH3+][C@@H]1CC[C@H](C(=O)NCc2ccccc2O)C1 ZINC000228421201 640874118 /nfs/dbraw/zinc/87/41/18/640874118.db2.gz BKDKCHDZSNYDHE-GXSJLCMTSA-N 1 0 234.299 1.136 10 10 BDCERO C[C@@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)c1ccccc1O ZINC000723570309 711518366 /nfs/dbraw/zinc/51/83/66/711518366.db2.gz FAOAYSMNDHDJHH-MNOVXSKESA-N 1 0 248.326 1.521 10 10 BDCERO C[C@H]([NH2+]C1CC(C(N)=O)C1)c1ccccc1O ZINC000716782966 712573206 /nfs/dbraw/zinc/57/32/06/712573206.db2.gz MAFRFUJZWHDJAO-IDKOKCKLSA-N 1 0 234.299 1.307 10 10 BDCERO Cc1cc(Cl)c(C)c([C@H]([NH3+])CN)c1O ZINC000072200885 178060793 /nfs/dbraw/zinc/06/07/93/178060793.db2.gz HIIQLVXFUHXFNY-MRVPVSSYSA-N 1 0 214.696 1.621 10 10 BDCERO Cc1cc(N2CCCOCC2)ccc1C[NH3+] ZINC000061920199 178114048 /nfs/dbraw/zinc/11/40/48/178114048.db2.gz XFCRIQLQWHQJIZ-UHFFFAOYSA-N 1 0 220.316 1.680 10 10 BDCERO C/C=C\[C@H]1[NH2+]CCc2cc(O)c(O)cc21 ZINC000039096499 187254674 /nfs/dbraw/zinc/25/46/74/187254674.db2.gz YPVNAXBRRYUCCS-MXQLGCADSA-N 1 0 205.257 1.861 10 10 BDCERO CC(C)[N@H+](C)CCC(=O)Nc1ccc(N)cc1 ZINC000022163371 187255000 /nfs/dbraw/zinc/25/50/00/187255000.db2.gz OGBJJRANFXSFQX-UHFFFAOYSA-N 1 0 235.331 1.938 10 10 BDCERO OCC[NH2+]Cc1c(O)ccc2ccccc21 ZINC000020597112 187253819 /nfs/dbraw/zinc/25/38/19/187253819.db2.gz WWNVEFWNEFDKBY-UHFFFAOYSA-N 1 0 217.268 1.627 10 10 BDCERO CC(C)[N@H+](Cc1ccc(N)cc1)[C@H](C)C(N)=O ZINC000035365437 187258375 /nfs/dbraw/zinc/25/83/75/187258375.db2.gz ACHDONRZYSXDJJ-SNVBAGLBSA-N 1 0 235.331 1.353 10 10 BDCERO C[NH2+]Cc1ccc(N(CC(N)=O)C(C)C)cc1 ZINC000042438424 187265355 /nfs/dbraw/zinc/26/53/55/187265355.db2.gz VGUBPSQZTZVAQK-UHFFFAOYSA-N 1 0 235.331 1.106 10 10 BDCERO C[NH2+]Cc1ccc(N(C)CC(=O)NC(C)C)cc1 ZINC000042609357 187266470 /nfs/dbraw/zinc/26/64/70/187266470.db2.gz PKMAQKJCHQJUKT-UHFFFAOYSA-N 1 0 249.358 1.367 10 10 BDCERO COC(=O)C([N+]#N)c1cc(OC)ccc1Cl ZINC000584606897 358266445 /nfs/dbraw/zinc/26/64/45/358266445.db2.gz NFKWBYSKBOQCEY-UHFFFAOYSA-N 1 0 240.646 1.541 10 10 BDCERO Nc1cc(O)c(O)cc1C1(C[NH3+])CCCC1 ZINC000169328768 181361701 /nfs/dbraw/zinc/36/17/01/181361701.db2.gz DWYXPZPTCCXWFV-UHFFFAOYSA-N 1 0 222.288 1.451 10 10 BDCERO [NH3+][C@H](CCO)c1ccc(N2CCCC2)cc1 ZINC000044236249 181616551 /nfs/dbraw/zinc/61/65/51/181616551.db2.gz AWPBEZOTPHPNID-CYBMUJFWSA-N 1 0 220.316 1.669 10 10 BDCERO CCC[N@H+](C)CCc1ccc(O)c(O)c1 ZINC000033826827 169079164 /nfs/dbraw/zinc/07/91/64/169079164.db2.gz XCQKYIGPZFSZER-UHFFFAOYSA-N 1 0 209.289 1.982 10 10 BDCERO Oc1cccc(C[NH2+]CCc2c[nH]cn2)c1O ZINC000083359662 183289471 /nfs/dbraw/zinc/28/94/71/183289471.db2.gz LZAVPNBNGUWUFG-UHFFFAOYSA-N 1 0 233.271 1.153 10 10 BDCERO Oc1cccc(O)c1C[NH2+]C[C@H]1CCCO1 ZINC000039098649 183292959 /nfs/dbraw/zinc/29/29/59/183292959.db2.gz RMRYTRGOZFTGKV-SECBINFHSA-N 1 0 223.272 1.366 10 10 BDCERO Oc1cccc(O)c1C[NH2+]C[C@@H]1CCCO1 ZINC000039098647 183293056 /nfs/dbraw/zinc/29/30/56/183293056.db2.gz RMRYTRGOZFTGKV-VIFPVBQESA-N 1 0 223.272 1.366 10 10 BDCERO C[C@H]1c2c(O)c(O)ccc2[C@H](O)C[N@H+]1C ZINC000032232968 385136885 /nfs/dbraw/zinc/13/68/85/385136885.db2.gz FFPOPDFIKAHFHN-IMTBSYHQSA-N 1 0 209.245 1.138 10 10 BDCERO Cc1ccc(O)c([C@@H](C)[NH2+]CCn2cncn2)c1 ZINC000273441336 385711847 /nfs/dbraw/zinc/71/18/47/385711847.db2.gz YOOGLFVPMDXWJT-LLVKDONJSA-N 1 0 246.314 1.643 10 10 BDCERO [NH3+]CCC[C@@H]([NH3+])c1cccc(Cl)c1[O-] ZINC000575439424 387124678 /nfs/dbraw/zinc/12/46/78/387124678.db2.gz KIMNSMOPDNVVDJ-SECBINFHSA-N 1 0 214.696 1.784 10 10 BDCERO COCCC[NH+]1CCN(c2ccc(N)cc2)CC1 ZINC000011756043 132320462 /nfs/dbraw/zinc/32/04/62/132320462.db2.gz MVUDFIXTGPUTTE-UHFFFAOYSA-N 1 0 249.358 1.427 10 10 BDCERO C[C@@H]1C[C@@H]([NH3+])CCN1c1ccc2c(c1)OCCO2 ZINC000049708407 132356978 /nfs/dbraw/zinc/35/69/78/132356978.db2.gz BCRGAYXTBPQZAN-MNOVXSKESA-N 1 0 248.326 1.774 10 10 BDCERO C[C@@H]1CN(c2ccc3c(c2)OCCO3)[C@@H](C)C[NH2+]1 ZINC000071563050 132394804 /nfs/dbraw/zinc/39/48/04/132394804.db2.gz LUOICCLNQZTTCS-MNOVXSKESA-N 1 0 248.326 1.644 10 10 BDCERO CCNC(=O)C[NH2+][C@H](C)c1ccc(C)cc1O ZINC000036780252 170065749 /nfs/dbraw/zinc/06/57/49/170065749.db2.gz QMQDBTMEVCZELJ-SNVBAGLBSA-N 1 0 236.315 1.487 10 10 BDCERO CC[NH2+]CCC(=O)NCc1ccc(N(C)C)cc1 ZINC000061298537 170111828 /nfs/dbraw/zinc/11/18/28/170111828.db2.gz YOTFYCSOEJFPLS-UHFFFAOYSA-N 1 0 249.358 1.368 10 10 BDCERO CC[NH2+]Cc1ccc(N(C)CC(N)=O)cc1C ZINC000050582063 170126851 /nfs/dbraw/zinc/12/68/51/170126851.db2.gz RLVSISAKWDZEDX-UHFFFAOYSA-N 1 0 235.331 1.026 10 10 BDCERO CCOC(=O)CC[NH2+]Cc1ccccc1O ZINC000045685603 170209397 /nfs/dbraw/zinc/20/93/97/170209397.db2.gz XDUPYVACNUKMIH-UHFFFAOYSA-N 1 0 223.272 1.435 10 10 BDCERO CN1CCc2cc(CN3CCC[NH2+]CC3)ccc21 ZINC000050287733 173170727 /nfs/dbraw/zinc/17/07/27/173170727.db2.gz PJCLYQNLWVFQHL-UHFFFAOYSA-N 1 0 245.370 1.474 10 10 BDCERO CNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000042561420 173294933 /nfs/dbraw/zinc/29/49/33/173294933.db2.gz UPCQXQGLOBJMJO-VHSXEESVSA-N 1 0 236.315 1.486 10 10 BDCERO CNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000042561813 173295011 /nfs/dbraw/zinc/29/50/11/173295011.db2.gz JHTVXEZBDCOCPM-WDEREUQCSA-N 1 0 249.358 1.538 10 10 BDCERO COc1ccc(N2CC[C@H]([NH3+])C2)cc1OC ZINC000033427031 175139151 /nfs/dbraw/zinc/13/91/51/175139151.db2.gz FYHWHTBAJLSSPU-VIFPVBQESA-N 1 0 222.288 1.241 10 10 BDCERO C[C@H](C[NH2+]Cc1ccc2c(c1)CCN2C)N(C)C ZINC000050286758 176680737 /nfs/dbraw/zinc/68/07/37/176680737.db2.gz PQGOPLLXEVKNFL-GFCCVEGCSA-N 1 0 247.386 1.719 10 10 BDCERO C[C@H](CO)[NH2+][C@H](C)c1ccc(O)cc1O ZINC000035603218 176706727 /nfs/dbraw/zinc/70/67/27/176706727.db2.gz VWFWHWOZYQMFNB-HTQZYQBOSA-N 1 0 211.261 1.129 10 10 BDCERO C[C@H](c1ccc(N(C)C)cc1)N1CC[NH2+]CC1 ZINC000038086783 177033927 /nfs/dbraw/zinc/03/39/27/177033927.db2.gz SFXGXPVEBDYESC-GFCCVEGCSA-N 1 0 233.359 1.719 10 10 BDCERO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccccc1O ZINC000282253719 177394224 /nfs/dbraw/zinc/39/42/24/177394224.db2.gz GTLMIVPEIBATNH-MWLCHTKSSA-N 1 0 234.299 1.149 10 10 BDCERO CC[NH2+]Cc1ccc(N2CCNC(=O)C2)c(C)c1 ZINC000050559969 535478556 /nfs/dbraw/zinc/47/85/56/535478556.db2.gz OLTMXUSSEHMYFS-UHFFFAOYSA-N 1 0 247.342 1.041 10 10 BDCERO CC[C@H]1CN(c2ccc(OC)cc2)CC[NH2+]1 ZINC000016944802 536160682 /nfs/dbraw/zinc/16/06/82/536160682.db2.gz MHROIRXPXHVULG-NSHDSACASA-N 1 0 220.316 1.883 10 10 BDCERO CN1CCCc2cc([C@@H](N)C[NH3+])ccc21 ZINC000044474118 536397681 /nfs/dbraw/zinc/39/76/81/536397681.db2.gz JLRADLKEGBGVDD-NSHDSACASA-N 1 0 205.305 1.028 10 10 BDCERO COc1ccc(N2CCC([NH3+])CC2)c(OC)c1 ZINC000019489087 536669424 /nfs/dbraw/zinc/66/94/24/536669424.db2.gz HHLVRKXHXRRQSZ-UHFFFAOYSA-N 1 0 236.315 1.631 10 10 BDCERO COc1ccc(N2CC[NH2+]CC2)c(F)c1 ZINC000059569792 536703629 /nfs/dbraw/zinc/70/36/29/536703629.db2.gz FHNCJGDXQAPLPO-UHFFFAOYSA-N 1 0 210.252 1.244 10 10 BDCERO Nc1ccc(CNc2ccnn2C2C[NH2+]C2)cc1 ZINC000725258022 538069905 /nfs/dbraw/zinc/06/99/05/538069905.db2.gz DDNIDBCEPDSBMU-UHFFFAOYSA-N 1 0 243.314 1.222 10 10 BDCERO [NH3+][C@@H](CF)c1ccc(N2CCCC2)cc1O ZINC000757134235 586427039 /nfs/dbraw/zinc/42/70/39/586427039.db2.gz MMQCXMHTDQOXLV-NSHDSACASA-N 1 0 224.279 1.962 10 10 BDCERO CCC[C@@H]([NH3+])C(=O)Nc1ccc(N)cc1 ZINC000309503317 633938393 /nfs/dbraw/zinc/93/83/93/633938393.db2.gz VGINBXHONZDKFQ-SNVBAGLBSA-N 1 0 207.277 1.335 10 10 BDCERO CC(C)[C@@H]([NH3+])CC(=O)NCc1ccccc1O ZINC000228422484 640874254 /nfs/dbraw/zinc/87/42/54/640874254.db2.gz IOTSMECTPRYEKF-NSHDSACASA-N 1 0 236.315 1.382 10 10 BDCERO Oc1cc2c(cc1C[NH2+][C@@H]1CC13CC3)OCO2 ZINC000715364783 712521913 /nfs/dbraw/zinc/52/19/13/712521913.db2.gz PPTLJRAVOAAPIY-GFCCVEGCSA-N 1 0 233.267 1.763 10 10 BDCERO C[N+](C)(C)[C@@H]1CCN(c2ccc(N)cc2)C1 ZINC000038844702 717126652 /nfs/dbraw/zinc/12/66/52/717126652.db2.gz UZIALGOKLCSTGJ-CYBMUJFWSA-N 1 0 220.340 1.554 10 10 BDCERO Cc1cc(O)c([C@@H]([NH3+])CO)cc1Cl ZINC000072197922 178196984 /nfs/dbraw/zinc/19/69/84/178196984.db2.gz MVHQDROAOKMHFH-QMMMGPOBSA-N 1 0 201.653 1.346 10 10 BDCERO CC(C)[C@H]([NH2+]Cc1cc(F)ccc1O)C(N)=O ZINC000231040446 538952122 /nfs/dbraw/zinc/95/21/22/538952122.db2.gz YVIWFXSFWOIUBV-NSHDSACASA-N 1 0 240.278 1.131 10 10 BDCERO Nc1cc(NCCc2ccc(O)c(O)c2)cc[nH+]1 ZINC000002040594 342715172 /nfs/dbraw/zinc/71/51/72/342715172.db2.gz KEQDYXZIMWLSER-UHFFFAOYSA-N 1 0 245.282 1.730 10 10 BDCERO [NH3+]C[C@H]1c2ccc(O)c(O)c2-c2ccc(O)cc21 ZINC000006093692 398281006 /nfs/dbraw/zinc/28/10/06/398281006.db2.gz KQVZVMZWAHAQGC-NSHDSACASA-N 1 0 243.262 1.874 10 10 in-vivo BDCERO [NH3+][C@@H](CO)c1cccc(OC(F)(F)F)c1O ZINC000072198809 343068539 /nfs/dbraw/zinc/06/85/39/343068539.db2.gz KMTSQQCJICCHPQ-LURJTMIESA-N 1 0 237.177 1.283 10 10 BDCERO CC(C)[N@H+](CC(=O)N(C)C)Cc1ccc(N)cc1 ZINC000035064777 187257457 /nfs/dbraw/zinc/25/74/57/187257457.db2.gz JLOYXXILFKZFCL-UHFFFAOYSA-N 1 0 249.358 1.567 10 10 BDCERO [NH3+][C@@H](Cc1ccc(O)c(O)c1)C(F)F ZINC000039096412 343382288 /nfs/dbraw/zinc/38/22/88/343382288.db2.gz FTKXOWOYHYYAJM-LURJTMIESA-N 1 0 203.188 1.233 10 10 BDCERO [NH3+]C1CN(Cc2cc(Cl)ccc2O)C1 ZINC000083634592 344180909 /nfs/dbraw/zinc/18/09/09/344180909.db2.gz YTJWSYKBCCNTNA-UHFFFAOYSA-N 1 0 212.680 1.189 10 10 BDCERO CN(C)c1ccc([C@@H](N)C[NH3+])c(Cl)c1 ZINC000044469486 345085090 /nfs/dbraw/zinc/08/50/90/345085090.db2.gz PHPMFNRJIHCCBI-JTQLQIEISA-N 1 0 213.712 1.365 10 10 BDCERO Cc1cccc(C[NH2+][C@@H]2CCO[C@H]2C)c1O ZINC000162873082 179097280 /nfs/dbraw/zinc/09/72/80/179097280.db2.gz GUUKFYUVYXIQMV-CMPLNLGQSA-N 1 0 221.300 1.968 10 10 BDCERO Cc1nccn1CCN(C)c1ccc(C[NH3+])cc1 ZINC000049329623 180249424 /nfs/dbraw/zinc/24/94/24/180249424.db2.gz LTWVPKTXBZZCKK-UHFFFAOYSA-N 1 0 244.342 1.787 10 10 BDCERO CC[C@H](c1ccccc1O)N1CC[NH2+]CC1 ZINC000038086660 350304526 /nfs/dbraw/zinc/30/45/26/350304526.db2.gz WSOZMLKZPHPUTI-GFCCVEGCSA-N 1 0 220.316 1.749 10 10 BDCERO [NH3+]CC[C@@H]([NH3+])c1ccc(F)c(F)c1[O-] ZINC000306821059 351127225 /nfs/dbraw/zinc/12/72/25/351127225.db2.gz NWVZNYKAIJPPQE-SSDOTTSWSA-N 1 0 202.204 1.019 10 10 BDCERO O[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000089162749 183195468 /nfs/dbraw/zinc/19/54/68/183195468.db2.gz RJLDIOUALLSFRB-ZIAGYGMSSA-N 1 0 247.338 1.872 10 10 BDCERO Oc1ccc(C[NH2+]C[C@H]2CCCCO2)cc1O ZINC000042811874 183270890 /nfs/dbraw/zinc/27/08/90/183270890.db2.gz AKGOFFYWJMUHFT-LLVKDONJSA-N 1 0 237.299 1.757 10 10 BDCERO Oc1cccc(C[NH2+]C[C@@H]2CCCCO2)c1O ZINC000042817679 183290655 /nfs/dbraw/zinc/29/06/55/183290655.db2.gz LCTFPZMRVWBZRS-NSHDSACASA-N 1 0 237.299 1.757 10 10 BDCERO Oc1cccc(C[NH2+]Cc2ccco2)c1O ZINC000041049365 183291763 /nfs/dbraw/zinc/29/17/63/183291763.db2.gz FBUABRABGKKCIJ-UHFFFAOYSA-N 1 0 219.240 1.981 10 10 BDCERO Oc1cccc2c1[C@H]([NH2+]CCn1cncn1)CC2 ZINC000294160358 183296665 /nfs/dbraw/zinc/29/66/65/183296665.db2.gz IJJVSVWTLYEEAE-LLVKDONJSA-N 1 0 244.298 1.261 10 10 BDCERO CCC[N@H+](CCc1ccc(N)cc1)CC(=O)NC ZINC000042403716 169170867 /nfs/dbraw/zinc/17/08/67/169170867.db2.gz RYPBLFZVDWIPMJ-UHFFFAOYSA-N 1 0 249.358 1.269 10 10 BDCERO Nc1ccc(N2C[C@H](CO)C3(CCC3)C2)cc1 ZINC000409434832 383840314 /nfs/dbraw/zinc/84/03/14/383840314.db2.gz QUJPRVLYODZQPN-LLVKDONJSA-N 1 0 232.327 1.868 10 10 BDCERO C[C@]([NH3+])(CO)c1ccc2[nH]ccc2c1O ZINC000089204367 383945968 /nfs/dbraw/zinc/94/59/68/383945968.db2.gz GJUFPUUUPNMXOS-NSHDSACASA-N 1 0 206.245 1.040 10 10 BDCERO C[NH+](C)[C@H]1CCc2cc(O)c(O)cc2C1 ZINC000005965207 384141368 /nfs/dbraw/zinc/14/13/68/384141368.db2.gz JWLJBTDXCBIGBW-JTQLQIEISA-N 1 0 207.273 1.517 10 10 BDCERO C[C@@H]([NH2+]CC1CC(O)C1)c1cc(F)ccc1O ZINC000094618461 384977629 /nfs/dbraw/zinc/97/76/29/384977629.db2.gz TVRWWJFQSJCONN-FKTRJACZSA-N 1 0 239.290 1.953 10 10 BDCERO Cc1ccc(O)c([C@H](C)N2CC[NH2+]CC2)c1 ZINC000038086760 386121877 /nfs/dbraw/zinc/12/18/77/386121877.db2.gz QSIUVHHZUKXBII-NSHDSACASA-N 1 0 220.316 1.667 10 10 BDCERO [NH3+]CCCC[C@@H]([NH3+])c1cccc(F)c1[O-] ZINC000575438732 387117734 /nfs/dbraw/zinc/11/77/34/387117734.db2.gz FKTZONNUQJUBPQ-SNVBAGLBSA-N 1 0 212.268 1.660 10 10 BDCERO [NH3+][C@@H](CCF)c1c(O)cc(O)cc1O ZINC000575439208 388627140 /nfs/dbraw/zinc/62/71/40/388627140.db2.gz PYNKOSXQLZJMAN-LURJTMIESA-N 1 0 201.197 1.163 10 10 BDCERO Cc1ccc([C@H](C)[NH2+]CCn2cncn2)c(O)c1 ZINC000273408903 389040371 /nfs/dbraw/zinc/04/03/71/389040371.db2.gz PCGBALCRMZSIIF-NSHDSACASA-N 1 0 246.314 1.643 10 10 BDCERO Cc1ccc([C@@H](C)[NH2+]CCn2cncn2)c(O)c1 ZINC000273408901 389040966 /nfs/dbraw/zinc/04/09/66/389040966.db2.gz PCGBALCRMZSIIF-LLVKDONJSA-N 1 0 246.314 1.643 10 10 BDCERO CC[C@H]1C[NH2+]CCN1c1ccc(OC)cc1 ZINC000016945046 132323567 /nfs/dbraw/zinc/32/35/67/132323567.db2.gz IRKXKHHPFAOXIL-NSHDSACASA-N 1 0 220.316 1.883 10 10 BDCERO [NH3+]C1CCN(c2ccc3c(c2)OCCCO3)CC1 ZINC000019428165 132324961 /nfs/dbraw/zinc/32/49/61/132324961.db2.gz PIBRUYSIPVDDRV-UHFFFAOYSA-N 1 0 248.326 1.775 10 10 BDCERO C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000034823057 132336827 /nfs/dbraw/zinc/33/68/27/132336827.db2.gz CHQUBKZNCKEFLG-UHFFFAOYSA-N 1 0 224.279 1.382 10 10 BDCERO C[C@@H]1CN(c2ccc(C[NH3+])cc2)[C@H](C)CO1 ZINC000035782467 132339318 /nfs/dbraw/zinc/33/93/18/132339318.db2.gz RFYOZFFBZRLKGE-GHMZBOCLSA-N 1 0 220.316 1.759 10 10 BDCERO [NH3+][C@H]1c2ccc(N3CCSCC3)cc2NC1=O ZINC000036194337 132340723 /nfs/dbraw/zinc/34/07/23/132340723.db2.gz KVVKPJPYORZANN-NSHDSACASA-N 1 0 249.339 1.192 10 10 BDCERO c1cc2c(cc1N1CC[NH2+]CC1)OCCCO2 ZINC000037635591 132344971 /nfs/dbraw/zinc/34/49/71/132344971.db2.gz CIZKQZPGTBNKLB-UHFFFAOYSA-N 1 0 234.299 1.258 10 10 BDCERO C[NH2+]Cc1ccc(N2CCCC[C@@H]2C(N)=O)cc1 ZINC000042405671 132351280 /nfs/dbraw/zinc/35/12/80/132351280.db2.gz ZYNGOHBUNIKOPO-CYBMUJFWSA-N 1 0 247.342 1.250 10 10 BDCERO C[C@H]([NH3+])c1ccc(N2CCS(=O)CC2)cc1 ZINC000049691899 132356208 /nfs/dbraw/zinc/35/62/08/132356208.db2.gz IHCLFJHXZJFGGO-JTQLQIEISA-N 1 0 238.356 1.275 10 10 BDCERO CC1(C)CN(c2ccc3c(c2)OCCO3)CC[NH2+]1 ZINC000058449504 132368438 /nfs/dbraw/zinc/36/84/38/132368438.db2.gz VXCIIGKBFMWVMQ-UHFFFAOYSA-N 1 0 248.326 1.646 10 10 BDCERO CC(C)[NH2+]C[C@@H]1NCCc2cc(O)c(O)cc21 ZINC000027560032 167113837 /nfs/dbraw/zinc/11/38/37/167113837.db2.gz MSFCPVGOFOWBQN-NSHDSACASA-N 1 0 236.315 1.283 10 10 BDCERO CC(C)[NH2+][C@H]1Cc2ccc(O)c(O)c2C1 ZINC000029228000 167142162 /nfs/dbraw/zinc/14/21/62/167142162.db2.gz NJQHTIVVFOQECO-VIFPVBQESA-N 1 0 207.273 1.563 10 10 BDCERO CC[NH2+][C@@H]1c2ccc(N(C)C)cc2NC1=O ZINC000102453208 170165580 /nfs/dbraw/zinc/16/55/80/170165580.db2.gz OXADYKRBQWCXLC-LLVKDONJSA-N 1 0 219.288 1.355 10 10 BDCERO CC[NH2+][C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000037240133 170167537 /nfs/dbraw/zinc/16/75/37/170167537.db2.gz OBHCKWWPAMLZHT-NSHDSACASA-N 1 0 220.316 1.883 10 10 BDCERO C[NH2+]CC(=O)N(C)[C@@H](C)c1ccccc1O ZINC000037826537 173324865 /nfs/dbraw/zinc/32/48/65/173324865.db2.gz IMQGFCSRYDNKRJ-VIFPVBQESA-N 1 0 222.288 1.131 10 10 BDCERO C[NH2+]CCN(C)c1ccc(OC)c(C)c1OC ZINC000107291299 173353986 /nfs/dbraw/zinc/35/39/86/173353986.db2.gz NQHZEYQJJTZGIP-UHFFFAOYSA-N 1 0 238.331 1.668 10 10 BDCERO C[NH2+][C@@H]1CCN(c2ccc(OC)c(C)c2)C1 ZINC000049530920 173437733 /nfs/dbraw/zinc/43/77/33/173437733.db2.gz JXXVFEWKGGSEHP-LLVKDONJSA-N 1 0 220.316 1.802 10 10 BDCERO COc1ccc(C[NH2+][C@H]2CCN(C)C2)c(O)c1 ZINC000042546155 175112182 /nfs/dbraw/zinc/11/21/82/175112182.db2.gz NDQAYGBMPHMRRX-NSHDSACASA-N 1 0 236.315 1.195 10 10 BDCERO COc1ccc(N(C)C[C@@H](C)C[NH3+])cc1OC ZINC000049829390 175136152 /nfs/dbraw/zinc/13/61/52/175136152.db2.gz UXFVXXFHFXELRM-JTQLQIEISA-N 1 0 238.331 1.735 10 10 BDCERO COc1ccc(N2CC[C@H]([NH3+])C2)cc1F ZINC000037290779 175139633 /nfs/dbraw/zinc/13/96/33/175139633.db2.gz KKZCFYBSKHLDSX-QMMMGPOBSA-N 1 0 210.252 1.372 10 10 BDCERO COc1ccc(O)c(C[NH2+][C@H]2C[C@H]2C)c1 ZINC000052272076 175158636 /nfs/dbraw/zinc/15/86/36/175158636.db2.gz CUMXAZUIDZPTNJ-KCJUWKMLSA-N 1 0 207.273 1.899 10 10 BDCERO COc1cccc(C[NH2+][C@H]2C[C@@H]2C)c1O ZINC000052270970 175267781 /nfs/dbraw/zinc/26/77/81/175267781.db2.gz VRSBVXPNEHHLTK-WPRPVWTQSA-N 1 0 207.273 1.899 10 10 BDCERO C[C@@H]([NH3+])C(C)(C)c1cc(O)c(O)cc1N ZINC000169331232 175801435 /nfs/dbraw/zinc/80/14/35/175801435.db2.gz NUUGAIRKWGVVKJ-ZCFIWIBFSA-N 1 0 210.277 1.305 10 10 BDCERO C[C@@H]([NH3+])CC(=O)N(C)[C@@H](C)c1ccccc1O ZINC000037826562 176024716 /nfs/dbraw/zinc/02/47/16/176024716.db2.gz JXLUESJEYXCHRK-ZJUUUORDSA-N 1 0 236.315 1.649 10 10 BDCERO C[C@H](c1cc(O)ccc1O)N(C)CC[NH3+] ZINC000054416681 177031919 /nfs/dbraw/zinc/03/19/19/177031919.db2.gz PQMIVHDXRKJFLM-MRVPVSSYSA-N 1 0 210.277 1.049 10 10 BDCERO COc1ccc(N2CCC[C@@H]([NH3+])C2)cc1F ZINC000055261695 536674207 /nfs/dbraw/zinc/67/42/07/536674207.db2.gz UYADYZHTOAFBOE-SECBINFHSA-N 1 0 224.279 1.762 10 10 BDCERO COc1ccc(N2CC[NH2+]C(C)(C)C2)cc1 ZINC000058442628 536703268 /nfs/dbraw/zinc/70/32/68/536703268.db2.gz YERYCSASRUOCBT-UHFFFAOYSA-N 1 0 220.316 1.883 10 10 BDCERO C[C@H]1CN(Cc2ccccc2O)C[C@H]1[NH3+] ZINC000300048200 582483813 /nfs/dbraw/zinc/48/38/13/582483813.db2.gz IEUNBKBFLVZPCK-GXSJLCMTSA-N 1 0 206.289 1.171 10 10 BDCERO Cc1cnn(CC[NH2+]Cc2ccccc2O)c1 ZINC000105908543 588229469 /nfs/dbraw/zinc/22/94/69/588229469.db2.gz CGQPUYJZXSEOFK-UHFFFAOYSA-N 1 0 231.299 1.687 10 10 BDCERO Oc1ccc(F)cc1C[NH2+][C@H]1CCC[C@H](O)C1 ZINC000226619392 635435977 /nfs/dbraw/zinc/43/59/77/635435977.db2.gz SGHLCBLQFSINNC-RYUDHWBXSA-N 1 0 239.290 1.924 10 10 BDCERO C[NH+](C)CCC[NH2+]Cc1cccc(F)c1[O-] ZINC000083354767 631424362 /nfs/dbraw/zinc/42/43/62/631424362.db2.gz VNLXMWHZXUQIHY-UHFFFAOYSA-N 1 0 226.295 1.573 10 10 BDCERO C[C@@H]1CN(Cc2ccc(N(C)C)cc2)C[C@@H]1[NH3+] ZINC000235363547 632677894 /nfs/dbraw/zinc/67/78/94/632677894.db2.gz LBKIXPNWTVAPAT-RISCZKNCSA-N 1 0 233.359 1.532 10 10 BDCERO CCN1CCC[C@H]([NH2+]Cc2ccccc2O)C1 ZINC000040502141 633816350 /nfs/dbraw/zinc/81/63/50/633816350.db2.gz UMBFZDZWCYACJC-ZDUSSCGKSA-N 1 0 234.343 1.966 10 10 BDCERO C[C@H](O)[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000309953943 633976232 /nfs/dbraw/zinc/97/62/32/633976232.db2.gz HKNMGMYMNZKRDP-CIUDSAMLSA-N 1 0 227.279 1.951 10 10 BDCERO Oc1ccc(F)cc1C[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000226619388 640780027 /nfs/dbraw/zinc/78/00/27/640780027.db2.gz SGHLCBLQFSINNC-NEPJUHHUSA-N 1 0 239.290 1.924 10 10 BDCERO Cc1cccc(C[NH2+]C2CC(CO)C2)c1O ZINC000705156314 712123100 /nfs/dbraw/zinc/12/31/00/712123100.db2.gz MVLNDKLCDFILMR-UHFFFAOYSA-N 1 0 221.300 1.561 10 10 BDCERO COC(=O)CC[NH2+]Cc1ccccc1O ZINC000036891794 343143502 /nfs/dbraw/zinc/14/35/02/343143502.db2.gz IJCLSHFMEORJEV-UHFFFAOYSA-N 1 0 209.245 1.045 10 10 BDCERO CC(=O)NCC[NH2+][C@H](C)c1cc(C)ccc1O ZINC000035628913 187257944 /nfs/dbraw/zinc/25/79/44/187257944.db2.gz YIXOPDJWMJQIGQ-SNVBAGLBSA-N 1 0 236.315 1.487 10 10 BDCERO O=C(C[NH2+]C1CC1)c1ccc(O)c(O)c1 ZINC000039096658 343382565 /nfs/dbraw/zinc/38/25/65/343382565.db2.gz WBYUCQCICGKAMM-UHFFFAOYSA-N 1 0 207.229 1.033 10 10 BDCERO C[C@@H](O)[C@H]1CCCN(c2ccc(N)cc2)C1 ZINC000409434018 343831049 /nfs/dbraw/zinc/83/10/49/343831049.db2.gz ZOWURHCKYJJOEL-MNOVXSKESA-N 1 0 220.316 1.866 10 10 BDCERO C[C@@H](O)[C@@H]1CCCN(c2ccc(N)cc2)C1 ZINC000409434015 343831058 /nfs/dbraw/zinc/83/10/58/343831058.db2.gz ZOWURHCKYJJOEL-GHMZBOCLSA-N 1 0 220.316 1.866 10 10 BDCERO COc1ccc2c(c1)[C@]1(C[C@H]1[NH3+])CN2C ZINC000725247329 538011628 /nfs/dbraw/zinc/01/16/28/538011628.db2.gz MJHCQYDMFBDXME-NEPJUHHUSA-N 1 0 204.273 1.114 10 10 BDCERO [NH3+]CC[C@H]([NH3+])c1cc(Cl)cc(F)c1[O-] ZINC000306959065 351381944 /nfs/dbraw/zinc/38/19/44/351381944.db2.gz WYBNQTHDRGIVJF-QMMMGPOBSA-N 1 0 218.659 1.533 10 10 BDCERO [NH3+][C@@H](CCO)c1c(O)ccc2ccccc21 ZINC000044232342 352222576 /nfs/dbraw/zinc/22/25/76/352222576.db2.gz OEHIZHGSHAXBCJ-NSHDSACASA-N 1 0 217.268 1.928 10 10 BDCERO NC(=O)[C@H]1CCC[N@H+](CCc2ccc(N)cc2)C1 ZINC000035677192 181281273 /nfs/dbraw/zinc/28/12/73/181281273.db2.gz YESHNVKKSZOCEG-LBPRGKRZSA-N 1 0 247.342 1.009 10 10 BDCERO CCOC(=O)C([N+]#N)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000584604415 358262924 /nfs/dbraw/zinc/26/29/24/358262924.db2.gz BAQNXYCDIYOZCC-BRPSZJMVSA-N 1 0 208.261 1.657 10 10 BDCERO COC(=O)C([N+]#N)c1ccc(C(F)(F)F)cc1 ZINC000584606956 358266687 /nfs/dbraw/zinc/26/66/87/358266687.db2.gz KATXUAGDCRZVPY-UHFFFAOYSA-N 1 0 244.172 1.897 10 10 BDCERO [NH3+]Cc1cnc(Sc2nccs2)cn1 ZINC000070581666 361568726 /nfs/dbraw/zinc/56/87/26/361568726.db2.gz AIUOIIRZYRSJRG-UHFFFAOYSA-N 1 0 224.314 1.543 10 10 BDCERO CCCN(CC(=O)NC)c1ccc(C[NH3+])cc1C ZINC000042403538 169096119 /nfs/dbraw/zinc/09/61/19/169096119.db2.gz FQOUWRKAZIDPJA-UHFFFAOYSA-N 1 0 249.358 1.416 10 10 BDCERO Oc1ccc(C[NH2+]CCc2ccccn2)c(O)c1 ZINC000019916525 183269981 /nfs/dbraw/zinc/26/99/81/183269981.db2.gz SDWCWYJQGVZOFT-UHFFFAOYSA-N 1 0 244.294 1.825 10 10 BDCERO Oc1ccc(C[NH2+]CC2CCOCC2)cc1O ZINC000104197175 183270885 /nfs/dbraw/zinc/27/08/85/183270885.db2.gz WZGYVZSGUDXBGR-UHFFFAOYSA-N 1 0 237.299 1.614 10 10 BDCERO Oc1ccc2c(c1O)CC[C@@H]1[NH2+]CCC[C@H]21 ZINC000038917635 183283268 /nfs/dbraw/zinc/28/32/68/183283268.db2.gz NMEWFOHCMGSVTR-KOLCDFICSA-N 1 0 219.284 1.880 10 10 BDCERO CCC[N@H+](Cc1ccc(N)cc1)[C@@H](CC)C(N)=O ZINC000061677742 169175302 /nfs/dbraw/zinc/17/53/02/169175302.db2.gz YSNVERPVFVGWHS-ZDUSSCGKSA-N 1 0 249.358 1.745 10 10 BDCERO Oc1cccc(C[NH2+]CC2CCC2)c1O ZINC000041049410 183288692 /nfs/dbraw/zinc/28/86/92/183288692.db2.gz SNIHZZBGRMDZDX-UHFFFAOYSA-N 1 0 207.273 1.988 10 10 BDCERO Oc1cccc(C[NH2+]CCn2cccn2)c1O ZINC000042539652 183290226 /nfs/dbraw/zinc/29/02/26/183290226.db2.gz IPTLHLURLQYELQ-UHFFFAOYSA-N 1 0 233.271 1.084 10 10 BDCERO Oc1ccccc1C[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000037165069 183303282 /nfs/dbraw/zinc/30/32/82/183303282.db2.gz CLVFNBRIOCWJEX-VXGBXAGGSA-N 1 0 221.300 1.785 10 10 BDCERO [NH3+][C@@H](CO)c1ccc(N2CCCC2)cc1 ZINC000072198025 384812473 /nfs/dbraw/zinc/81/24/73/384812473.db2.gz JBVRFPVUUUJYTP-LBPRGKRZSA-N 1 0 206.289 1.279 10 10 BDCERO [NH3+][C@H](CO)c1cc(C(F)(F)F)ccc1O ZINC000072198397 384814334 /nfs/dbraw/zinc/81/43/34/384814334.db2.gz SIBBISQLNPCWEK-SSDOTTSWSA-N 1 0 221.178 1.403 10 10 BDCERO Cc1cc(Cl)cc([C@H]([NH3+])CN)c1O ZINC000072200569 384815288 /nfs/dbraw/zinc/81/52/88/384815288.db2.gz ZWFHDNGXIMXMOP-MRVPVSSYSA-N 1 0 200.669 1.313 10 10 BDCERO C[C@H](NC(=O)OCc1ccccc1)C(=O)C[N+]#N ZINC000096328907 384929971 /nfs/dbraw/zinc/92/99/71/384929971.db2.gz DOUDVLKNDXOMIW-VIFPVBQESA-N 1 0 247.254 1.171 10 10 BDCERO COCc1cc(N2CC[NH2+]CC2)ccc1OC ZINC000167517023 385321151 /nfs/dbraw/zinc/32/11/51/385321151.db2.gz MOAORVWYQSYZAF-UHFFFAOYSA-N 1 0 236.315 1.251 10 10 BDCERO Cc1cnn(CC[NH2+]Cc2cc(F)ccc2O)c1 ZINC000226605954 386343859 /nfs/dbraw/zinc/34/38/59/386343859.db2.gz FEWJVOCBJGYHMV-UHFFFAOYSA-N 1 0 249.289 1.826 10 10 BDCERO [NH3+][C@H](CCF)c1ccc(O)c(O)c1O ZINC000575439919 387125415 /nfs/dbraw/zinc/12/54/15/387125415.db2.gz OPKVFODCMNAVQP-ZCFIWIBFSA-N 1 0 201.197 1.163 10 10 BDCERO C[C@H]([NH3+])c1ccc(N2CCC(O)CC2)cc1 ZINC000019872572 132328387 /nfs/dbraw/zinc/32/83/87/132328387.db2.gz RQSIQDAYAYAGJS-JTQLQIEISA-N 1 0 220.316 1.667 10 10 BDCERO C[C@@H]([NH3+])c1ccc(N2CCOC[C@H]2C)cc1 ZINC000035776799 132339441 /nfs/dbraw/zinc/33/94/41/132339441.db2.gz APIIFDHCBYBINA-GHMZBOCLSA-N 1 0 220.316 1.931 10 10 BDCERO C[C@@H]1CO[C@@H](C)CN1c1ccc(C[NH3+])cc1 ZINC000035782469 132339688 /nfs/dbraw/zinc/33/96/88/132339688.db2.gz RFYOZFFBZRLKGE-MNOVXSKESA-N 1 0 220.316 1.759 10 10 BDCERO C[C@H]1CN(c2ccc3c(c2)OCCO3)CC[C@@H]1[NH3+] ZINC000049708388 132356893 /nfs/dbraw/zinc/35/68/93/132356893.db2.gz GSLIUWBQUHHEJV-JQWIXIFHSA-N 1 0 248.326 1.631 10 10 BDCERO C[C@@H]1C[NH2+][C@@H](C)CN1c1ccc2c(c1)OCO2 ZINC000071543993 132393870 /nfs/dbraw/zinc/39/38/70/132393870.db2.gz XGGMTFKQMCOZQU-VHSXEESVSA-N 1 0 234.299 1.602 10 10 BDCERO [NH3+]C[C@@H]1CCCCc2cc(O)c(O)cc21 ZINC000029210842 397992557 /nfs/dbraw/zinc/99/25/57/397992557.db2.gz YPDLZHNGKVTJGE-VIFPVBQESA-N 1 0 207.273 1.867 10 10 BDCERO CCNC(=O)C[N@H+](Cc1ccc(N)cc1)C(C)C ZINC000035064780 170058713 /nfs/dbraw/zinc/05/87/13/170058713.db2.gz IZPVJVOUCDBQOR-UHFFFAOYSA-N 1 0 249.358 1.615 10 10 BDCERO CCOCCC[NH2+]Cc1ccc(O)cc1O ZINC000019962882 170381370 /nfs/dbraw/zinc/38/13/70/170381370.db2.gz SLVNLIMLSPEIHB-UHFFFAOYSA-N 1 0 225.288 1.614 10 10 BDCERO CN1CCC[C@H]([N@H+](C)CCc2ccc(N)cc2)C1 ZINC000053205316 173044053 /nfs/dbraw/zinc/04/40/53/173044053.db2.gz TXOPGVJYXJCCGE-HNNXBMFYSA-N 1 0 247.386 1.837 10 10 BDCERO CN1CCC[C@H]([N@H+](C)Cc2ccc(N)cc2)C1 ZINC000053205130 173044651 /nfs/dbraw/zinc/04/46/51/173044651.db2.gz QXJFCQVZJPTVRM-AWEZNQCLSA-N 1 0 233.359 1.795 10 10 BDCERO C[N@@H+](Cc1ccc(N)cc1)C[C@@H]1CC[NH+](C)C1 ZINC000109357280 173113235 /nfs/dbraw/zinc/11/32/35/173113235.db2.gz SUYYUPMORWIHTG-CYBMUJFWSA-N 1 0 233.359 1.652 10 10 BDCERO COC1CC[NH+](Cc2ccc(N)cc2)CC1 ZINC000037265689 174030687 /nfs/dbraw/zinc/03/06/87/174030687.db2.gz GQWQLBVBTIRPCU-UHFFFAOYSA-N 1 0 220.316 1.880 10 10 BDCERO COc1ccc(N2CC[C@@H]([NH3+])C2)cc1OC ZINC000033427030 175139852 /nfs/dbraw/zinc/13/98/52/175139852.db2.gz FYHWHTBAJLSSPU-SECBINFHSA-N 1 0 222.288 1.241 10 10 BDCERO COc1ccc(N2CCC[NH2+]CC2)cc1OC ZINC000042325571 175139875 /nfs/dbraw/zinc/13/98/75/175139875.db2.gz KCKIDILSGMLPBU-UHFFFAOYSA-N 1 0 236.315 1.504 10 10 BDCERO COc1ccc(O)c([C@H](C)N2CC[NH2+]CC2)c1 ZINC000038086622 175160466 /nfs/dbraw/zinc/16/04/66/175160466.db2.gz DHIWWZAQEVNTSJ-JTQLQIEISA-N 1 0 236.315 1.367 10 10 BDCERO COc1cccc(C[NH2+]CCN(C)C)c1O ZINC000022150892 175264403 /nfs/dbraw/zinc/26/44/03/175264403.db2.gz JFWFMYYZVLSWDT-UHFFFAOYSA-N 1 0 224.304 1.052 10 10 BDCERO C[C@H]([NH3+])c1ccc(N2CCC[C@@H]2CO)cc1 ZINC000042432956 176776930 /nfs/dbraw/zinc/77/69/30/176776930.db2.gz GZVSWOJLJSFIQM-GXFFZTMASA-N 1 0 220.316 1.667 10 10 BDCERO C[C@H](c1ccc(F)cc1O)N(C)[C@@H]1CC[NH2+]C1 ZINC000071309883 177033737 /nfs/dbraw/zinc/03/37/37/177033737.db2.gz PMPKBZHTWIAYKU-MWLCHTKSSA-N 1 0 238.306 1.886 10 10 BDCERO COc1ccc(N2CCC[C@H]([NH3+])C2)c(OC)c1 ZINC000055232340 536673492 /nfs/dbraw/zinc/67/34/92/536673492.db2.gz GBKCARSOVFTXDC-JTQLQIEISA-N 1 0 236.315 1.631 10 10 BDCERO COc1ccc(N2CC[NH2+][C@@H](C)C2)cc1OC ZINC000054348224 536705140 /nfs/dbraw/zinc/70/51/40/536705140.db2.gz CIRVNFPUGOAJDF-JTQLQIEISA-N 1 0 236.315 1.502 10 10 BDCERO Cc1ccc(O)c(CN2CC[C@H]([NH3+])[C@H]2C)c1 ZINC000309170836 632659232 /nfs/dbraw/zinc/65/92/32/632659232.db2.gz AJKIDMNFTRWXLI-PWSUYJOCSA-N 1 0 220.316 1.622 10 10 BDCERO C[C@H]1CN(Cc2cc(Cl)ccc2O)C[C@@H]1[NH3+] ZINC000235636707 635583354 /nfs/dbraw/zinc/58/33/54/635583354.db2.gz FJIKTTBFKNAXJO-KWQFWETISA-N 1 0 240.734 1.825 10 10 BDCERO C[C@@H](O)[C@H](C)[NH2+]Cc1c(O)cccc1Cl ZINC000379920818 711814577 /nfs/dbraw/zinc/81/45/77/711814577.db2.gz HNEHQNUIMCKHEZ-JGVFFNPUSA-N 1 0 229.707 1.905 10 10 BDCERO Cc1ccc(O)c(C[NH2+]C[C@H]2CC(=O)N(C)C2)c1 ZINC000723571724 711518392 /nfs/dbraw/zinc/51/83/92/711518392.db2.gz UWLIUBJFXQFMEM-LLVKDONJSA-N 1 0 248.326 1.269 10 10 BDCERO C[C@@H](O)[C@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000379957334 712636477 /nfs/dbraw/zinc/63/64/77/712636477.db2.gz VUILRLCLBRBOLM-LPEHRKFASA-N 1 0 209.289 1.812 10 10 BDCERO Cc1cc(C[NH3+])ccc1N1CCC[C@@H]1CO ZINC000042432669 177984457 /nfs/dbraw/zinc/98/44/57/177984457.db2.gz RIRSGXRWFDNBBH-GFCCVEGCSA-N 1 0 220.316 1.415 10 10 BDCERO Cc1cc(N2CCC[C@@H]2CO)ccc1C[NH3+] ZINC000050582982 178115242 /nfs/dbraw/zinc/11/52/42/178115242.db2.gz HYTQXDSUIXEOIY-CYBMUJFWSA-N 1 0 220.316 1.415 10 10 BDCERO Nc1c(F)ccc([C@H]2CCCC[NH2+]2)c1O ZINC000308773741 342870745 /nfs/dbraw/zinc/87/07/45/342870745.db2.gz HPADLGFDSOHJNY-SECBINFHSA-N 1 0 210.252 1.928 10 10 BDCERO C[NH2+]Cc1c(O)cccc1Br ZINC000221662731 346907521 /nfs/dbraw/zinc/90/75/21/346907521.db2.gz RSXHNWXRYGGKTB-UHFFFAOYSA-N 1 0 216.078 1.874 10 10 BDCERO NC[C@H]([NH3+])c1cccc(OC(F)(F)F)c1O ZINC000072201332 343069757 /nfs/dbraw/zinc/06/97/57/343069757.db2.gz AYBFDSJFQZSTCS-LURJTMIESA-N 1 0 236.193 1.249 10 10 BDCERO CCN(C)c1ccc(C[NH3+])c(F)c1F ZINC000233980199 343230119 /nfs/dbraw/zinc/23/01/19/343230119.db2.gz UVXRCVDKMNQFPJ-UHFFFAOYSA-N 1 0 200.232 1.880 10 10 BDCERO C[C@H]([NH3+])Cc1ccc(O)c(O)c1Cl ZINC000039096199 343382440 /nfs/dbraw/zinc/38/24/40/343382440.db2.gz BWORGDPGJKMRFF-YFKPBYRVSA-N 1 0 201.653 1.641 10 10 BDCERO Cc1cc(Br)c([O-])c([C@H]([NH3+])CO)c1 ZINC000072199010 187276831 /nfs/dbraw/zinc/27/68/31/187276831.db2.gz HUNVQHGWUHODEX-MRVPVSSYSA-N 1 0 246.104 1.455 10 10 BDCERO CCOc1cccc([C@H]([NH3+])CCO)c1O ZINC000044232106 344987392 /nfs/dbraw/zinc/98/73/92/344987392.db2.gz GJVQDIPSUPYYEZ-SECBINFHSA-N 1 0 211.261 1.173 10 10 BDCERO Cc1cc(Cl)cc([C@@H]([NH3+])CCO)c1O ZINC000044233346 344988800 /nfs/dbraw/zinc/98/88/00/344988800.db2.gz IVMXBZOPGPBXSI-VIFPVBQESA-N 1 0 215.680 1.736 10 10 BDCERO [NH3+][C@@H](Cn1cccn1)c1ccccc1O ZINC000011848819 345031442 /nfs/dbraw/zinc/03/14/42/345031442.db2.gz KOAXYXWJDXQNJX-JTQLQIEISA-N 1 0 203.245 1.289 10 10 BDCERO C[NH+](C)[C@H]1CCN(c2ccc(N)cc2)C1 ZINC000062965532 346755763 /nfs/dbraw/zinc/75/57/63/346755763.db2.gz PZJDWCYGPDQBKO-LBPRGKRZSA-N 1 0 205.305 1.409 10 10 BDCERO NC(=[NH2+])[C@@H]1CCCc2c(O)c(O)ccc21 ZINC000034143074 181192504 /nfs/dbraw/zinc/19/25/04/181192504.db2.gz CNPHJFBUFOBCJJ-MRVPVSSYSA-N 1 0 206.245 1.454 10 10 BDCERO CC(C)[C@H]([NH2+]Cc1ccc2c(c1)CCO2)C(N)=O ZINC000223956710 538594851 /nfs/dbraw/zinc/59/48/51/538594851.db2.gz NKNPTBUOQJEXCT-ZDUSSCGKSA-N 1 0 248.326 1.221 10 10 BDCERO C[C@H](c1ccccc1O)[NH+]1CCOCC1 ZINC000132448318 371825231 /nfs/dbraw/zinc/82/52/31/371825231.db2.gz DAZUOSXUZKPCFE-SNVBAGLBSA-N 1 0 207.273 1.785 10 10 BDCERO CC[NH2+]CCc1ccc(O)c(O)c1Cl ZINC000029347153 170116953 /nfs/dbraw/zinc/11/69/53/170116953.db2.gz JLIPDGUALDIARD-UHFFFAOYSA-N 1 0 215.680 1.903 10 10 BDCERO Oc1ccc(C[NH2+]C2CCCC2)c(O)c1O ZINC000083352603 183269503 /nfs/dbraw/zinc/26/95/03/183269503.db2.gz CKNVVCPWMDMXFC-UHFFFAOYSA-N 1 0 223.272 1.836 10 10 BDCERO Oc1ccc(C[NH2+]C[C@H]2CCCOC2)cc1O ZINC000038043795 183270009 /nfs/dbraw/zinc/27/00/09/183270009.db2.gz IBMBMJMVWIRUGD-LLVKDONJSA-N 1 0 237.299 1.614 10 10 BDCERO Oc1ccc(C[NH2+][C@@H]2CN3CCC2CC3)c(O)c1 ZINC000019946462 183270877 /nfs/dbraw/zinc/27/08/77/183270877.db2.gz KFYDFTQOWPSXKO-CYBMUJFWSA-N 1 0 248.326 1.282 10 10 BDCERO Oc1ccc(Cl)cc1[C@H]1COCC[NH2+]1 ZINC000082966761 183273461 /nfs/dbraw/zinc/27/34/61/183273461.db2.gz XUYIDURSYNSFJW-SECBINFHSA-N 1 0 213.664 1.707 10 10 BDCERO Oc1cccc(C[NH2+]CC2CCOCC2)c1O ZINC000104204455 183289580 /nfs/dbraw/zinc/28/95/80/183289580.db2.gz QNCJYKJKBZRQFM-UHFFFAOYSA-N 1 0 237.299 1.614 10 10 BDCERO Oc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1O ZINC000125265648 183303711 /nfs/dbraw/zinc/30/37/11/183303711.db2.gz PYBCVWXVNMKILQ-PWSUYJOCSA-N 1 0 207.273 1.395 10 10 BDCERO CCC[NH2+]Cc1ccc(N2CC[C@@H](O)C2)cc1 ZINC000061711234 169266663 /nfs/dbraw/zinc/26/66/63/169266663.db2.gz ZDIVRZSRGYBGKW-CQSZACIVSA-N 1 0 234.343 1.757 10 10 BDCERO CCC[NH2+][C@@H](C(N)=O)c1ccc(N(C)C)cc1 ZINC000037946365 169273559 /nfs/dbraw/zinc/27/35/59/169273559.db2.gz UPNMYYPXEOBEOQ-GFCCVEGCSA-N 1 0 235.331 1.279 10 10 BDCERO NC[C@H]([NH3+])c1ccc(Br)cc1O ZINC000072201262 384816011 /nfs/dbraw/zinc/81/60/11/384816011.db2.gz XTTPEMYGYHCJHP-ZETCQYMHSA-N 1 0 231.093 1.113 10 10 BDCERO CCCOc1ccc(N2CC[NH2+]CC2)cc1 ZINC000019688458 132326160 /nfs/dbraw/zinc/32/61/60/132326160.db2.gz KYXWZZDYCRFDQX-UHFFFAOYSA-N 1 0 220.316 1.885 10 10 BDCERO C[C@@H]1COCCN1c1ccc(C[NH3+])cc1 ZINC000035773379 132339004 /nfs/dbraw/zinc/33/90/04/132339004.db2.gz DCJLLVGAADYMAQ-SNVBAGLBSA-N 1 0 206.289 1.370 10 10 BDCERO C[C@@H]1CN(c2ccc(C[NH3+])cc2)CCO1 ZINC000019865385 132327887 /nfs/dbraw/zinc/32/78/87/132327887.db2.gz FBUJOCJCWHUXAX-SNVBAGLBSA-N 1 0 206.289 1.370 10 10 BDCERO C[C@H]1C[C@@H]([NH3+])CCN1c1ccc2c(c1)OCO2 ZINC000049710010 132357598 /nfs/dbraw/zinc/35/75/98/132357598.db2.gz GGUOJANOBCZVTC-UWVGGRQHSA-N 1 0 234.299 1.731 10 10 BDCERO COc1ccc(N2C[C@H](C)[NH2+]C[C@@H]2C)cc1 ZINC000071522608 132392540 /nfs/dbraw/zinc/39/25/40/132392540.db2.gz LWSNTKGYLRKNRD-QWRGUYRKSA-N 1 0 220.316 1.882 10 10 BDCERO [NH3+]CC[C@H]([NH3+])c1cccc(Br)c1[O-] ZINC000307174941 398005951 /nfs/dbraw/zinc/00/59/51/398005951.db2.gz RLBMBTSZIJWGBU-QMMMGPOBSA-N 1 0 245.120 1.503 10 10 BDCERO CC(C)[NH2+][C@](C)(C(N)=O)c1ccc(N(C)C)cc1 ZINC000037902570 167141860 /nfs/dbraw/zinc/14/18/60/167141860.db2.gz KDXLOIVTSGSDCD-AWEZNQCLSA-N 1 0 249.358 1.451 10 10 BDCERO CC[NH2+]Cc1ccc(N2CCC[C@H]2C(N)=O)cc1 ZINC000034824493 170127038 /nfs/dbraw/zinc/12/70/38/170127038.db2.gz GFYCBWPCIHBRDV-ZDUSSCGKSA-N 1 0 247.342 1.250 10 10 BDCERO CC[NH2+][C@@H]1CCc2c(O)c(O)ccc2C1=O ZINC000039098369 170153453 /nfs/dbraw/zinc/15/34/53/170153453.db2.gz AFKZERYXCCCZEY-SECBINFHSA-N 1 0 221.256 1.205 10 10 BDCERO CCOC(=O)CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000045688775 170209573 /nfs/dbraw/zinc/20/95/73/170209573.db2.gz QWJJFCSTCCKFMU-UHFFFAOYSA-N 1 0 249.310 1.664 10 10 BDCERO CCc1cc(C[NH2+]C[C@@H](C)O)ccc1OC ZINC000098124818 171759332 /nfs/dbraw/zinc/75/93/32/171759332.db2.gz LJLHQEANJJXIHW-SNVBAGLBSA-N 1 0 223.316 1.728 10 10 BDCERO CNC(=O)[C@@H]1CCC[N@@H+]1CCc1ccc(N)cc1 ZINC000042391355 173298806 /nfs/dbraw/zinc/29/88/06/173298806.db2.gz FZRPBCZAVLFCCZ-ZDUSSCGKSA-N 1 0 247.342 1.022 10 10 BDCERO C[NH2+]C[C@H]1CCCc2c(O)c(O)ccc21 ZINC000029204817 173380868 /nfs/dbraw/zinc/38/08/68/173380868.db2.gz HTXPKPRWZOGAPE-MRVPVSSYSA-N 1 0 207.273 1.737 10 10 BDCERO CNC(=O)[C@H]1CCCN1c1ccc(C[NH2+]C)cc1 ZINC000042395671 173388616 /nfs/dbraw/zinc/38/86/16/173388616.db2.gz VISMYPGTGLJYCY-CYBMUJFWSA-N 1 0 247.342 1.121 10 10 BDCERO C[NH2+]Cc1ccc(N2CCC[C@H]2CO)cc1C ZINC000050582989 173388671 /nfs/dbraw/zinc/38/86/71/173388671.db2.gz YWBRFEIBZHHRIC-AWEZNQCLSA-N 1 0 234.343 1.676 10 10 BDCERO C[NH2+]Cc1ccc(N2CC[C@@H](O)C2)cc1C ZINC000061711165 173389231 /nfs/dbraw/zinc/38/92/31/173389231.db2.gz GUAIBCYDKYLZAC-CYBMUJFWSA-N 1 0 220.316 1.285 10 10 BDCERO C[NH2+][C@H]1CCN(c2ccc(OC)c(C)c2)C1 ZINC000049530919 173467287 /nfs/dbraw/zinc/46/72/87/173467287.db2.gz JXXVFEWKGGSEHP-NSHDSACASA-N 1 0 220.316 1.802 10 10 BDCERO COc1ccc(C[NH2+][C@@H]2CCN(C)C2)c(O)c1 ZINC000042546158 175110238 /nfs/dbraw/zinc/11/02/38/175110238.db2.gz NDQAYGBMPHMRRX-LLVKDONJSA-N 1 0 236.315 1.195 10 10 BDCERO COc1ccc(N(C)C[C@@H](C)C[NH3+])c(OC)c1 ZINC000049829385 175135920 /nfs/dbraw/zinc/13/59/20/175135920.db2.gz MTZCCXQLBPZARG-JTQLQIEISA-N 1 0 238.331 1.735 10 10 BDCERO COc1ccc(N2CC[C@@H](C[NH3+])C2)c(C)c1 ZINC000061568044 175139570 /nfs/dbraw/zinc/13/95/70/175139570.db2.gz HZFODWCSRIRKRV-NSHDSACASA-N 1 0 220.316 1.789 10 10 BDCERO C[C@@H](c1ccc(O)cc1O)N(C)[C@@H]1CC[NH2+]C1 ZINC000071309257 176017276 /nfs/dbraw/zinc/01/72/76/176017276.db2.gz PGOILTCWAWBYNP-VHSXEESVSA-N 1 0 236.315 1.453 10 10 BDCERO C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(N)cc2)C1 ZINC000022153900 176096847 /nfs/dbraw/zinc/09/68/47/176096847.db2.gz IQSBCBPHNKXHQJ-LLVKDONJSA-N 1 0 247.342 1.939 10 10 BDCERO C[C@@H]1C[N@H+](Cc2ccccc2O)C[C@H]1N(C)C ZINC000251684010 176308010 /nfs/dbraw/zinc/30/80/10/176308010.db2.gz HZCUALLXAQWEGJ-DGCLKSJQSA-N 1 0 234.343 1.774 10 10 BDCERO C[C@H](c1cc(O)ccc1O)N1CC[NH2+]CC1 ZINC000038086612 177031505 /nfs/dbraw/zinc/03/15/05/177031505.db2.gz OAVIAEDIEKRJCJ-SECBINFHSA-N 1 0 222.288 1.064 10 10 BDCERO C[C@H](c1ccccc1O)N(C)C(=O)[C@@H]1CCC[NH2+]1 ZINC000037826476 177042996 /nfs/dbraw/zinc/04/29/96/177042996.db2.gz PQYIKIRTMOXUBY-PWSUYJOCSA-N 1 0 248.326 1.664 10 10 BDCERO CCOc1ccc(N2CC[NH2+]C[C@@H]2C)cc1 ZINC000016944950 535735576 /nfs/dbraw/zinc/73/55/76/535735576.db2.gz CVFOCHFDMHXINH-NSHDSACASA-N 1 0 220.316 1.883 10 10 BDCERO C[NH2+][C@H](C)c1ccc(N2CCNC(=O)[C@@H]2C)cc1 ZINC000104137892 536406560 /nfs/dbraw/zinc/40/65/60/536406560.db2.gz WVSZGBLOIGOSNW-MNOVXSKESA-N 1 0 247.342 1.292 10 10 BDCERO COc1ccc(N2CC[NH2+][C@H](C)C2)cc1OC ZINC000054348222 536705027 /nfs/dbraw/zinc/70/50/27/536705027.db2.gz CIRVNFPUGOAJDF-SNVBAGLBSA-N 1 0 236.315 1.502 10 10 BDCERO COc1cccc(CN2C[C@H](C)[C@H]([NH3+])C2)c1O ZINC000300048739 592501502 /nfs/dbraw/zinc/50/15/02/592501502.db2.gz MCQVBJZAHDRSDX-GXSJLCMTSA-N 1 0 236.315 1.180 10 10 BDCERO C[C@@H]([NH2+]Cc1cc(Cl)ccc1O)[C@H](C)O ZINC000309037806 632621745 /nfs/dbraw/zinc/62/17/45/632621745.db2.gz JFPFSMUEXFARNC-SFYZADRCSA-N 1 0 229.707 1.905 10 10 BDCERO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCc1ccccc1O ZINC000166201877 633108539 /nfs/dbraw/zinc/10/85/39/633108539.db2.gz BOTTZFHPZVBDQA-BXKDBHETSA-N 1 0 236.315 1.382 10 10 BDCERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1ccccc1O ZINC000166201985 633108908 /nfs/dbraw/zinc/10/89/08/633108908.db2.gz BOTTZFHPZVBDQA-JOYOIKCWSA-N 1 0 236.315 1.382 10 10 BDCERO Cc1ccc(O)c(CN2CCC[C@H]2C[NH3+])c1 ZINC000168810656 633150043 /nfs/dbraw/zinc/15/00/43/633150043.db2.gz CBYJBSXHZQWQGN-LBPRGKRZSA-N 1 0 220.316 1.624 10 10 BDCERO C[C@@]1(C(=O)NCc2ccccc2O)CCCC[NH2+]1 ZINC000228422589 640874250 /nfs/dbraw/zinc/87/42/50/640874250.db2.gz ZDLVMNUIWZIPAC-AWEZNQCLSA-N 1 0 248.326 1.541 10 10 BDCERO C[C@H](O)[C@H](C)[NH2+]Cc1c(O)cccc1Cl ZINC000379920820 712627141 /nfs/dbraw/zinc/62/71/41/712627141.db2.gz HNEHQNUIMCKHEZ-YUMQZZPRSA-N 1 0 229.707 1.905 10 10 BDCERO C[C@@H]([NH2+]Cc1c(O)cccc1Cl)[C@H](C)O ZINC000379920819 712627157 /nfs/dbraw/zinc/62/71/57/712627157.db2.gz HNEHQNUIMCKHEZ-SFYZADRCSA-N 1 0 229.707 1.905 10 10 BDCERO CC[C@@H]([NH2+]C1CC(C(N)=O)C1)c1ccccc1O ZINC000716732373 712571701 /nfs/dbraw/zinc/57/17/01/712571701.db2.gz RBUYHCYPMCUARF-RTYFJBAXSA-N 1 0 248.326 1.697 10 10 BDCERO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)[C@H](C)O ZINC000379957339 712636464 /nfs/dbraw/zinc/63/64/64/712636464.db2.gz VUILRLCLBRBOLM-UTLUCORTSA-N 1 0 209.289 1.812 10 10 BDCERO Cc1ccc(O)c(C[NH2+][C@H](C)c2cn(C)nn2)c1 ZINC000720597895 712856438 /nfs/dbraw/zinc/85/64/38/712856438.db2.gz XNGKQZUWUPEXAY-SNVBAGLBSA-N 1 0 246.314 1.680 10 10 BDCERO CC1(C)CN(c2ccc(N)cc2)C[C@H]1CO ZINC000409432765 343827397 /nfs/dbraw/zinc/82/73/97/343827397.db2.gz LUXUPSAYTKZSMS-JTQLQIEISA-N 1 0 220.316 1.724 10 10 BDCERO COc1cc(F)cc([C@H]([NH3+])CF)c1O ZINC000238352848 345027202 /nfs/dbraw/zinc/02/72/02/345027202.db2.gz HJCYOUCEEIWNLW-SSDOTTSWSA-N 1 0 203.188 1.509 10 10 BDCERO Nc1ccc(N2CC[N@@H+]3CCCC[C@H]3C2)cc1 ZINC000249977155 362660619 /nfs/dbraw/zinc/66/06/19/362660619.db2.gz CXQBYWWEFMGQBR-AWEZNQCLSA-N 1 0 231.343 1.943 10 10 BDCERO Cc1cccc(C[N@H+]2CC[C@@H](N(C)C)C2)c1O ZINC000160235615 179078298 /nfs/dbraw/zinc/07/82/98/179078298.db2.gz WLDCADRONSLBQZ-CYBMUJFWSA-N 1 0 234.343 1.837 10 10 BDCERO O=C1CCC[C@@H]([C@H]2CCCCC[NH2+]2)C1=O ZINC000164514727 346608155 /nfs/dbraw/zinc/60/81/55/346608155.db2.gz FFXRYYXWSUOTDV-VHSXEESVSA-N 1 0 209.289 1.457 10 10 BDCERO [NH3+]CC[C@H]([NH3+])c1ccc(F)c(F)c1[O-] ZINC000306777930 351013595 /nfs/dbraw/zinc/01/35/95/351013595.db2.gz NWVZNYKAIJPPQE-ZETCQYMHSA-N 1 0 202.204 1.019 10 10 BDCERO [NH3+]CC[C@@H]([NH3+])c1cccc(Br)c1[O-] ZINC000306896984 351309795 /nfs/dbraw/zinc/30/97/95/351309795.db2.gz RLBMBTSZIJWGBU-MRVPVSSYSA-N 1 0 245.120 1.503 10 10 BDCERO CN(C)c1ccc(OC2CC2)c(C[NH3+])c1 ZINC000095737923 188146279 /nfs/dbraw/zinc/14/62/79/188146279.db2.gz MZYHXRHEHBHPSR-UHFFFAOYSA-N 1 0 206.289 1.753 10 10 BDCERO Oc1ccc(C[NH2+][C@H]2CN3CCC2CC3)c(O)c1 ZINC000019946465 183270870 /nfs/dbraw/zinc/27/08/70/183270870.db2.gz KFYDFTQOWPSXKO-ZDUSSCGKSA-N 1 0 248.326 1.282 10 10 BDCERO Oc1ccc(C[NH2+]CC2CCC2)cc1O ZINC000037180213 183271051 /nfs/dbraw/zinc/27/10/51/183271051.db2.gz FTQZQAIYQZVLFI-UHFFFAOYSA-N 1 0 207.273 1.988 10 10 BDCERO CCCN(CCC(=O)NC)c1ccc(C[NH3+])cc1 ZINC000051757693 169138677 /nfs/dbraw/zinc/13/86/77/169138677.db2.gz NAAJQJVFZVZMBY-UHFFFAOYSA-N 1 0 249.358 1.498 10 10 BDCERO Oc1cccc(CC[NH+]2CCCC2)c1O ZINC000039096587 183287415 /nfs/dbraw/zinc/28/74/15/183287415.db2.gz VMGNMKIGYKIPEH-UHFFFAOYSA-N 1 0 207.273 1.736 10 10 BDCERO Oc1cccc(O)c1C[NH2+]Cc1ccco1 ZINC000039098167 183292748 /nfs/dbraw/zinc/29/27/48/183292748.db2.gz ROKIVUAAYVGJLK-UHFFFAOYSA-N 1 0 219.240 1.981 10 10 BDCERO Oc1ccccc1C[NH2+]C[C@@H]1CCC[C@@H]1O ZINC000084228019 183303083 /nfs/dbraw/zinc/30/30/83/183303083.db2.gz LOJOXOOXHQVLSA-AAEUAGOBSA-N 1 0 221.300 1.643 10 10 BDCERO Oc1ccccc1C[NH2+]CCc1c[nH]cn1 ZINC000083142086 183303252 /nfs/dbraw/zinc/30/32/52/183303252.db2.gz OWMCODAXNFNLCU-UHFFFAOYSA-N 1 0 217.272 1.448 10 10 BDCERO COC[C@@H]([NH3+])c1ccc2[nH]ccc2c1O ZINC000089204389 383946814 /nfs/dbraw/zinc/94/68/14/383946814.db2.gz AEVFPHJLLWQNFN-SECBINFHSA-N 1 0 206.245 1.520 10 10 BDCERO COc1c(C)cc(N2CC[NH2+]CC2)cc1C ZINC000083017490 384738734 /nfs/dbraw/zinc/73/87/34/384738734.db2.gz JSIIEYLFGCICKJ-UHFFFAOYSA-N 1 0 220.316 1.722 10 10 BDCERO [NH3+]CCCC[C@H]([NH3+])c1cc(F)ccc1O ZINC000575439749 388630401 /nfs/dbraw/zinc/63/04/01/388630401.db2.gz VQXJSVUHWWRDER-JTQLQIEISA-N 1 0 212.268 1.660 10 10 BDCERO C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000034824100 132336985 /nfs/dbraw/zinc/33/69/85/132336985.db2.gz IIOLYDQVOBFEKG-UHFFFAOYSA-N 1 0 220.316 1.367 10 10 BDCERO Cc1cc(C[NH3+])ccc1N1CCC(O)CC1 ZINC000037733144 132345315 /nfs/dbraw/zinc/34/53/15/132345315.db2.gz VAJOYJORZMIOJN-UHFFFAOYSA-N 1 0 220.316 1.415 10 10 BDCERO [NH3+]Cc1ccc(N2CCC(O)CC2)c(Cl)c1 ZINC000062792809 132388803 /nfs/dbraw/zinc/38/88/03/132388803.db2.gz GJDULARBDHXKCE-UHFFFAOYSA-N 1 0 240.734 1.760 10 10 BDCERO CC(C)[NH2+]C[C@@H]1OCCc2c(O)c(O)ccc21 ZINC000011422433 167112715 /nfs/dbraw/zinc/11/27/15/167112715.db2.gz MQBIFSRHBOTBBZ-LBPRGKRZSA-N 1 0 237.299 1.710 10 10 BDCERO CCNC(=O)CN(c1ccc(C[NH3+])cc1)C1CC1 ZINC000034655476 170058508 /nfs/dbraw/zinc/05/85/08/170058508.db2.gz XPXHXWJPZBAUNS-UHFFFAOYSA-N 1 0 247.342 1.250 10 10 BDCERO CC[C@H](C)[N@H+](CC(N)=O)Cc1ccc(N)cc1 ZINC000035366670 171312408 /nfs/dbraw/zinc/31/24/08/171312408.db2.gz WRCNYEPJDMBAGL-JTQLQIEISA-N 1 0 235.331 1.355 10 10 BDCERO CN1CC[NH+](CCCc2ccc(N)cc2)CC1 ZINC000020192411 173079303 /nfs/dbraw/zinc/07/93/03/173079303.db2.gz ODAUXPXRRGNFLE-UHFFFAOYSA-N 1 0 233.359 1.449 10 10 BDCERO C[NH+]1CCN(c2ccc3c(c2)CCN3)CC1 ZINC000032013210 173094359 /nfs/dbraw/zinc/09/43/59/173094359.db2.gz YGUAMVHSGHLQOQ-UHFFFAOYSA-N 1 0 217.316 1.406 10 10 BDCERO C[N@@H+]1CCc2c3c(c(O)c(O)c2C1)CCC3 ZINC000033826960 173169691 /nfs/dbraw/zinc/16/96/91/173169691.db2.gz LINRRADDWJYPHU-UHFFFAOYSA-N 1 0 219.284 1.574 10 10 BDCERO C[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000016942117 173389152 /nfs/dbraw/zinc/38/91/52/173389152.db2.gz DXODGLQVMBBAHW-UHFFFAOYSA-N 1 0 231.299 1.659 10 10 BDCERO COCCOCCNc1ccc(N)cc1 ZINC000033610831 174359235 /nfs/dbraw/zinc/35/92/35/174359235.db2.gz PTMJZCOPVRHVKJ-UHFFFAOYSA-N 1 0 210.277 1.344 10 10 BDCERO COc1ccc(C[NH2+]Cc2ncc[nH]2)c(O)c1 ZINC000080580172 175108261 /nfs/dbraw/zinc/10/82/61/175108261.db2.gz FUQFSVOPOCDWGJ-UHFFFAOYSA-N 1 0 233.271 1.414 10 10 BDCERO COc1ccc(N2CC[C@@H](C[NH3+])C2)cc1C ZINC000049530945 175139299 /nfs/dbraw/zinc/13/92/99/175139299.db2.gz XDFDOJIGFOUJRV-NSHDSACASA-N 1 0 220.316 1.789 10 10 BDCERO COc1ccc(N2CCC[NH2+]CC2)c(OC)c1 ZINC000049660566 175139469 /nfs/dbraw/zinc/13/94/69/175139469.db2.gz UOXWYYDVOMOKCG-UHFFFAOYSA-N 1 0 236.315 1.504 10 10 BDCERO COc1ccc([C@H](C)[NH2+]Cc2cn[nH]c2)c(O)c1 ZINC000038005982 175189667 /nfs/dbraw/zinc/18/96/67/175189667.db2.gz PDYSCCVIYCRHDA-VIFPVBQESA-N 1 0 247.298 1.975 10 10 BDCERO COc1cccc(C[NH2+][C@@H]2C[C@@H]2C)c1O ZINC000052270974 175266936 /nfs/dbraw/zinc/26/69/36/175266936.db2.gz VRSBVXPNEHHLTK-WCBMZHEXSA-N 1 0 207.273 1.899 10 10 BDCERO C[C@@H](CO)[NH2+]Cc1ccc2c(c1)CCN2C ZINC000050286481 175756924 /nfs/dbraw/zinc/75/69/24/175756924.db2.gz LXZVCHLKHLYMNC-JTQLQIEISA-N 1 0 220.316 1.149 10 10 BDCERO C[C@@H]([NH2+]C[C@H]1CCCO1)c1ccc(O)cc1O ZINC000019963602 175893728 /nfs/dbraw/zinc/89/37/28/175893728.db2.gz AEXIEWAHMGBJOF-MWLCHTKSSA-N 1 0 237.299 1.927 10 10 BDCERO C[C@@H](c1ccccc1O)N1CC[NH2+]CC1 ZINC000033426855 176025733 /nfs/dbraw/zinc/02/57/33/176025733.db2.gz MMZWIUVEPUBMMU-JTQLQIEISA-N 1 0 206.289 1.358 10 10 BDCERO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCc1ccc(N)cc1 ZINC000035782485 177253768 /nfs/dbraw/zinc/25/37/68/177253768.db2.gz DLSGHUXQEKEXIJ-NEPJUHHUSA-N 1 0 234.343 1.921 10 10 BDCERO C[C@H]1C[NH+](Cc2cc(N)ccc2O)C[C@H](C)O1 ZINC000037272117 177260162 /nfs/dbraw/zinc/26/01/62/177260162.db2.gz UEKDYCSYWMCJMV-UWVGGRQHSA-N 1 0 236.315 1.584 10 10 BDCERO C[C@H]1C[N@H+](Cc2ccccc2O)C[C@@H]1N(C)C ZINC000131463292 177266732 /nfs/dbraw/zinc/26/67/32/177266732.db2.gz HZCUALLXAQWEGJ-AAEUAGOBSA-N 1 0 234.343 1.774 10 10 BDCERO Oc1ccc(F)cc1C[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000226619377 640780329 /nfs/dbraw/zinc/78/03/29/640780329.db2.gz SGHLCBLQFSINNC-VXGBXAGGSA-N 1 0 239.290 1.924 10 10 BDCERO C[C@@H](C[N+](C)(C)C)Nc1ccc(N)cc1 ZINC000078217709 717135472 /nfs/dbraw/zinc/13/54/72/717135472.db2.gz MEMSTMJTWIABRI-JTQLQIEISA-N 1 0 208.329 1.775 10 10 BDCERO Cn1ccn(C)c1=[N+]=Nc1ccc(N)cc1 ZINC000021981730 343031499 /nfs/dbraw/zinc/03/14/99/343031499.db2.gz KMMIMBUARTWPBG-UHFFFAOYSA-O 1 0 216.268 1.847 10 10 BDCERO CC[NH+](CC)CCc1cccc(O)c1O ZINC000039096829 343382376 /nfs/dbraw/zinc/38/23/76/343382376.db2.gz VZRQKDRQXBPSTH-UHFFFAOYSA-N 1 0 209.289 1.982 10 10 BDCERO CCOC(=O)C(=C(O)C[N+]#N)c1ccccc1 ZINC000584657983 490178801 /nfs/dbraw/zinc/17/88/01/490178801.db2.gz HOWIAPDITWACRD-LLVKDONJSA-N 1 0 232.239 1.203 10 10 BDCERO CC(C)[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)C(N)=O ZINC000223956664 538593875 /nfs/dbraw/zinc/59/38/75/538593875.db2.gz NKNPTBUOQJEXCT-CYBMUJFWSA-N 1 0 248.326 1.221 10 10 BDCERO CCOP(=O)(C=C(O)C[N+]#N)OCC ZINC000114703225 368948088 /nfs/dbraw/zinc/94/80/88/368948088.db2.gz KOVISADJVWAZJC-UHFFFAOYSA-N 1 0 220.165 1.122 10 10 BDCERO Oc1ccc(CC[C@H]2CCC[NH2+]2)cc1O ZINC000039096600 183269711 /nfs/dbraw/zinc/26/97/11/183269711.db2.gz VKCKPCZQIRUOCJ-SNVBAGLBSA-N 1 0 207.273 1.782 10 10 BDCERO Oc1ccc(C[NH2+]CCn2cccn2)c(O)c1 ZINC000042538654 183270569 /nfs/dbraw/zinc/27/05/69/183270569.db2.gz VJRAYKVMWLGAIN-UHFFFAOYSA-N 1 0 233.271 1.084 10 10 BDCERO Oc1ccc(C[NH2+]C[C@H]2CCOC2)c(O)c1 ZINC000037738253 183270795 /nfs/dbraw/zinc/27/07/95/183270795.db2.gz SNWQNDGCMCLCCE-SECBINFHSA-N 1 0 223.272 1.224 10 10 BDCERO Oc1ccc(C[NH2+]Cc2cc[nH]n2)c(O)c1 ZINC000041014086 183271042 /nfs/dbraw/zinc/27/10/42/183271042.db2.gz XWIRLXIVEUHDJR-UHFFFAOYSA-N 1 0 219.244 1.111 10 10 BDCERO Oc1ccc(C[C@H]2CCCC[NH2+]2)cc1O ZINC000033826832 183272194 /nfs/dbraw/zinc/27/21/94/183272194.db2.gz AUYONLNUNWGRLG-SNVBAGLBSA-N 1 0 207.273 1.782 10 10 BDCERO Oc1cc2c(cc1O)CC1(CCC[NH2+]1)C2 ZINC000039096571 183263238 /nfs/dbraw/zinc/26/32/38/183263238.db2.gz AIBZJKVSQLOSII-UHFFFAOYSA-N 1 0 205.257 1.319 10 10 BDCERO Oc1ccc2c(c1O)CC[C@@H]1CC[NH2+]C[C@@H]21 ZINC000058582699 183282535 /nfs/dbraw/zinc/28/25/35/183282535.db2.gz UBYDLPXWPINXGY-LDYMZIIASA-N 1 0 219.284 1.737 10 10 BDCERO Oc1ccccc1C[NH2+][C@H]1CCC[C@H](O)C1 ZINC000037165067 183303556 /nfs/dbraw/zinc/30/35/56/183303556.db2.gz CLVFNBRIOCWJEX-RYUDHWBXSA-N 1 0 221.300 1.785 10 10 BDCERO c1cc(N2CCC[NH2+]CC2)cc2c1OCC2 ZINC000077327043 183369318 /nfs/dbraw/zinc/36/93/18/183369318.db2.gz NBHHAIOOQPXBEE-UHFFFAOYSA-N 1 0 218.300 1.421 10 10 BDCERO CCO[C@@H](c1ccc(O)c(O)c1)[C@H](C)[NH3+] ZINC000039100437 384104104 /nfs/dbraw/zinc/10/41/04/384104104.db2.gz LGHHPMLYUUFKNB-WRWORJQWSA-N 1 0 211.261 1.523 10 10 BDCERO Cc1ccc(O)c(C[NH2+]C(C)(C)CO)c1 ZINC000070955059 384144098 /nfs/dbraw/zinc/14/40/98/384144098.db2.gz GTPLJZZRJZBZOH-UHFFFAOYSA-N 1 0 209.289 1.561 10 10 BDCERO CC(C)(C)OC(=O)[C@@H](N)c1ccccc1O ZINC000095934930 384412505 /nfs/dbraw/zinc/41/25/05/384412505.db2.gz GPSKLEHIZRFCKB-JTQLQIEISA-N 1 0 223.272 1.734 10 10 BDCERO C[NH+](C)CC1=C(N)CC(C)(C)CC1=S ZINC000100084985 384616876 /nfs/dbraw/zinc/61/68/76/384616876.db2.gz LAMGFXGXQNPBLV-UHFFFAOYSA-N 1 0 212.362 1.951 10 10 BDCERO Cc1ccc([C@H]([NH3+])CCCC[NH3+])c(O)c1 ZINC000575438175 387104333 /nfs/dbraw/zinc/10/43/33/387104333.db2.gz GQOYSANRPHMRQY-LLVKDONJSA-N 1 0 208.305 1.829 10 10 BDCERO [NH3+][C@H](CC(F)F)c1ccc(O)c(O)c1O ZINC000575437798 387110551 /nfs/dbraw/zinc/11/05/51/387110551.db2.gz UWZJCMFXHOJQLI-RXMQYKEDSA-N 1 0 219.187 1.458 10 10 BDCERO C[C@@H]1COCCN1c1ccc(C[NH3+])cc1F ZINC000035777870 132339463 /nfs/dbraw/zinc/33/94/63/132339463.db2.gz XITWNRQGVOHSNV-SECBINFHSA-N 1 0 224.279 1.510 10 10 BDCERO Cc1cc(N2CCS(=O)CC2)ccc1C[NH3+] ZINC000050583946 132359285 /nfs/dbraw/zinc/35/92/85/132359285.db2.gz KHLDMLMMYIQQLL-UHFFFAOYSA-N 1 0 238.356 1.022 10 10 BDCERO C[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1C ZINC000050581681 132359345 /nfs/dbraw/zinc/35/93/45/132359345.db2.gz ZAHQSZNOSSMIKF-UHFFFAOYSA-N 1 0 248.370 1.923 10 10 BDCERO CCN(c1ccc(C[NH3+])cc1)[C@H](C)C(=O)NC ZINC000034654483 169942237 /nfs/dbraw/zinc/94/22/37/169942237.db2.gz OURDLUASNPEPBJ-SNVBAGLBSA-N 1 0 235.331 1.106 10 10 BDCERO CCNC(=O)CN(C)c1ccc(C[NH2+]C)c(C)c1 ZINC000050583989 170054908 /nfs/dbraw/zinc/05/49/08/170054908.db2.gz IMSKSTFEOCVWJU-UHFFFAOYSA-N 1 0 249.358 1.287 10 10 BDCERO CC[NH2+][C@@H](C)c1ccc(N(C)CCO)c(F)c1 ZINC000037899416 170141915 /nfs/dbraw/zinc/14/19/15/170141915.db2.gz LGTSKXZOLNJGFH-JTQLQIEISA-N 1 0 240.322 1.925 10 10 BDCERO CC[NH2+][C@H]1CCc2c(O)c(O)ccc2C1=O ZINC000039098371 170168820 /nfs/dbraw/zinc/16/88/20/170168820.db2.gz AFKZERYXCCCZEY-VIFPVBQESA-N 1 0 221.256 1.205 10 10 BDCERO CC[NH2+][C@](C)(C(N)=O)c1ccc(N(C)C)cc1 ZINC000037902576 170170445 /nfs/dbraw/zinc/17/04/45/170170445.db2.gz KARQXNMNECILKZ-ZDUSSCGKSA-N 1 0 235.331 1.063 10 10 BDCERO CC[C@H](C)N(C)c1ccc2c(c1)NC(=O)[C@@H]2[NH3+] ZINC000036194661 171310099 /nfs/dbraw/zinc/31/00/99/171310099.db2.gz ITDXTDSVVFFVFB-QPUJVOFHSA-N 1 0 233.315 1.873 10 10 BDCERO C[N@H+](Cc1cc(N)ccc1O)[C@H]1CCSC1 ZINC000037273583 172840599 /nfs/dbraw/zinc/84/05/99/172840599.db2.gz CORPMWQSIJQAAA-NSHDSACASA-N 1 0 238.356 1.912 10 10 BDCERO C[N@@H+]1CC[C@@H](NC(=O)CCc2ccc(N)cc2)C1 ZINC000042543642 173122439 /nfs/dbraw/zinc/12/24/39/173122439.db2.gz HENCZMSKNKXBFE-CYBMUJFWSA-N 1 0 247.342 1.022 10 10 BDCERO CNC(=O)CCN(c1ccc(C[NH3+])cc1)C1CC1 ZINC000051757700 173251603 /nfs/dbraw/zinc/25/16/03/173251603.db2.gz HGSLDJQMPKQDPT-UHFFFAOYSA-N 1 0 247.342 1.250 10 10 BDCERO CNC(=O)C[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000037224710 173277706 /nfs/dbraw/zinc/27/77/06/173277706.db2.gz SANVYRJLAVKRPE-VIFPVBQESA-N 1 0 222.288 1.097 10 10 BDCERO C[NH2+]Cc1ccc(N2CCC[C@@H]2CO)cc1C ZINC000050582987 173388843 /nfs/dbraw/zinc/38/88/43/173388843.db2.gz YWBRFEIBZHHRIC-CQSZACIVSA-N 1 0 234.343 1.676 10 10 BDCERO CNC(=O)[C@@H]1CCCN1c1ccc(C[NH2+]C)cc1 ZINC000042395673 173389067 /nfs/dbraw/zinc/38/90/67/173389067.db2.gz VISMYPGTGLJYCY-ZDUSSCGKSA-N 1 0 247.342 1.121 10 10 BDCERO COCCCN(C)c1ccc(C[NH3+])cc1C ZINC000062028980 174220570 /nfs/dbraw/zinc/22/05/70/174220570.db2.gz RPJAUHQDMGWMTR-UHFFFAOYSA-N 1 0 222.332 1.926 10 10 BDCERO COc1ccc(N(C)C[C@H](C)C[NH3+])cc1 ZINC000049814333 175136233 /nfs/dbraw/zinc/13/62/33/175136233.db2.gz IKBSBZCYSMVRQQ-SNVBAGLBSA-N 1 0 208.305 1.726 10 10 BDCERO COc1ccc(O)c(C[NH2+][C@H]2C[C@@H]2C)c1 ZINC000052272078 175159396 /nfs/dbraw/zinc/15/93/96/175159396.db2.gz CUMXAZUIDZPTNJ-KWQFWETISA-N 1 0 207.273 1.899 10 10 BDCERO C[C@@H]1COCC[N@@H+]1CCc1ccc(N)cc1 ZINC000035773391 176336638 /nfs/dbraw/zinc/33/66/38/176336638.db2.gz PWXPYAGSPRGNBL-LLVKDONJSA-N 1 0 220.316 1.532 10 10 BDCERO C[C@H]1COCC[N@@H+]1CCc1ccc(N)cc1 ZINC000035773392 177292693 /nfs/dbraw/zinc/29/26/93/177292693.db2.gz PWXPYAGSPRGNBL-NSHDSACASA-N 1 0 220.316 1.532 10 10 BDCERO CCOc1ccc(N2CC[NH2+]CC2)cc1C ZINC000063063270 535735099 /nfs/dbraw/zinc/73/50/99/535735099.db2.gz VRTCNDJTBCJJMD-UHFFFAOYSA-N 1 0 220.316 1.803 10 10 BDCERO COC1CC([NH2+]Cc2cccc(C)c2O)C1 ZINC000230690167 635492548 /nfs/dbraw/zinc/49/25/48/635492548.db2.gz ZQGUCGHKRDNBRG-UHFFFAOYSA-N 1 0 221.300 1.968 10 10 BDCERO Cc1ccc(O)c(CN2CC[C@@H]([NH3+])[C@@H]2C)c1 ZINC000309170834 632659508 /nfs/dbraw/zinc/65/95/08/632659508.db2.gz AJKIDMNFTRWXLI-CMPLNLGQSA-N 1 0 220.316 1.622 10 10 BDCERO O=C(CC[C@H]1CCC[NH2+]1)NCc1ccccc1O ZINC000310876088 633012261 /nfs/dbraw/zinc/01/22/61/633012261.db2.gz VHCHFBPNTYRYTE-GFCCVEGCSA-N 1 0 248.326 1.541 10 10 BDCERO C[NH2+][C@H](C)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000054074800 635344333 /nfs/dbraw/zinc/34/43/33/635344333.db2.gz IRNRFIHDIFMVBR-LLVKDONJSA-N 1 0 249.358 1.319 10 10 BDCERO Oc1cc2c(cc1C[NH2+]Cc1ccno1)OCO2 ZINC000231882849 641210447 /nfs/dbraw/zinc/21/04/47/641210447.db2.gz JNNDTVKZXLZNDB-UHFFFAOYSA-N 1 0 248.238 1.399 10 10 BDCERO C[C@@H]1[C@@H]([NH3+])CCN1Cc1ccc(N(C)C)cc1 ZINC000310341828 643634280 /nfs/dbraw/zinc/63/42/80/643634280.db2.gz CZJSLUYFAJLHPA-RISCZKNCSA-N 1 0 233.359 1.674 10 10 BDCERO C[C@@H](O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000379957327 712636425 /nfs/dbraw/zinc/63/64/25/712636425.db2.gz VUILRLCLBRBOLM-KXUCPTDWSA-N 1 0 209.289 1.812 10 10 BDCERO Cc1cccc(C[NH2+]C2CC(C(N)=O)C2)c1O ZINC000716782656 712573331 /nfs/dbraw/zinc/57/33/31/712573331.db2.gz HWXIPZXDOCPQND-UHFFFAOYSA-N 1 0 234.299 1.054 10 10 BDCERO Cc1ccc(O)c(C[NH2+][C@@H]2C[C@H]2CO)c1 ZINC000380291624 712862075 /nfs/dbraw/zinc/86/20/75/712862075.db2.gz BQMDGMUEDQOOFU-WDEREUQCSA-N 1 0 207.273 1.171 10 10 BDCERO Nc1ccc(C[N@@H+]2CCCC[C@@H]2CO)cc1 ZINC000048856920 343065071 /nfs/dbraw/zinc/06/50/71/343065071.db2.gz VJDUIUGTRLYBLV-CYBMUJFWSA-N 1 0 220.316 1.616 10 10 BDCERO C[C@H](O)C[NH2+]Cc1cc(Cl)ccc1O ZINC000035601823 343298997 /nfs/dbraw/zinc/29/89/97/343298997.db2.gz IXRWRDXAAPLSNP-ZETCQYMHSA-N 1 0 215.680 1.516 10 10 BDCERO [NH3+][C@H](Cc1ccc(O)c(O)c1)C(F)F ZINC000039096413 343382749 /nfs/dbraw/zinc/38/27/49/343382749.db2.gz FTKXOWOYHYYAJM-ZCFIWIBFSA-N 1 0 203.188 1.233 10 10 BDCERO c1csc(SC[C@@H]2CCC[NH2+]2)n1 ZINC000043497451 343475826 /nfs/dbraw/zinc/47/58/26/343475826.db2.gz XPPCJUFJQNSRQG-ZETCQYMHSA-N 1 0 200.332 1.987 10 10 BDCERO C[C@H](O)[C@@H]1CCCN(c2ccc(N)cc2)C1 ZINC000409434023 343831114 /nfs/dbraw/zinc/83/11/14/343831114.db2.gz ZOWURHCKYJJOEL-WDEREUQCSA-N 1 0 220.316 1.866 10 10 BDCERO Cn1ccnc1[C@H]([NH3+])c1ccccc1O ZINC000011848566 345030046 /nfs/dbraw/zinc/03/00/46/345030046.db2.gz YPIGIHDAVWKTJB-SNVBAGLBSA-N 1 0 203.245 1.174 10 10 BDCERO CC1(C)C[C@@H]([NH3+])c2ccc(O)c(O)c2O1 ZINC000011848988 345034276 /nfs/dbraw/zinc/03/42/76/345034276.db2.gz IXWFEVDAOJGEPO-SSDOTTSWSA-N 1 0 209.245 1.659 10 10 BDCERO Cc1cc(C[NH3+])ccc1N(C)C[C@@H](C)O ZINC000051816703 188156797 /nfs/dbraw/zinc/15/67/97/188156797.db2.gz WSKQCANYBUKXBJ-SNVBAGLBSA-N 1 0 208.305 1.271 10 10 BDCERO COc1ccc(N2CCC(C[NH3+])CC2)cc1 ZINC000038997594 358213245 /nfs/dbraw/zinc/21/32/45/358213245.db2.gz HQXFOJSTHYRNIN-UHFFFAOYSA-N 1 0 220.316 1.870 10 10 BDCERO Nc1cc(O)c(O)cc1[C@@H](C[NH3+])C1CCCC1 ZINC000584614322 358278894 /nfs/dbraw/zinc/27/88/94/358278894.db2.gz LBTHHEWASKFFIH-JTQLQIEISA-N 1 0 236.315 1.913 10 10 BDCERO CCOc1ccc(N2CCC[NH2+]CC2)cc1 ZINC000042325565 358346626 /nfs/dbraw/zinc/34/66/26/358346626.db2.gz ROJUAADFTVVSGD-UHFFFAOYSA-N 1 0 220.316 1.885 10 10 BDCERO Oc1ccc(C[NH2+]C[C@H]2CCCO2)cc1O ZINC000019963435 183271057 /nfs/dbraw/zinc/27/10/57/183271057.db2.gz DOUJLPZHNRRTFD-SNVBAGLBSA-N 1 0 223.272 1.366 10 10 BDCERO Oc1ccc2c(c1O)CCC[C@@H]2C1=[NH+]CCN1 ZINC000006091787 183283362 /nfs/dbraw/zinc/28/33/62/183283362.db2.gz LYRNYBCBYWDTIF-JTQLQIEISA-N 1 0 232.283 1.519 10 10 BDCERO Oc1cccc(C[NH2+]C[C@H]2CCOC2)c1O ZINC000041049439 183290775 /nfs/dbraw/zinc/29/07/75/183290775.db2.gz OUVBJXLKGIVMMJ-SECBINFHSA-N 1 0 223.272 1.224 10 10 BDCERO Oc1cccc(C[NH2+]C[C@@H]2CCCO2)c1O ZINC000041049392 183291797 /nfs/dbraw/zinc/29/17/97/183291797.db2.gz MVHYKRDWIXADKK-JTQLQIEISA-N 1 0 223.272 1.366 10 10 BDCERO [NH3+][C@H](CO)c1ccc(Br)cc1O ZINC000072198716 384813739 /nfs/dbraw/zinc/81/37/39/384813739.db2.gz OCMZLIPLJLNCOA-SSDOTTSWSA-N 1 0 232.077 1.147 10 10 BDCERO [NH3+][C@H](CC(F)F)c1c(O)cc(O)cc1O ZINC000575436790 387104709 /nfs/dbraw/zinc/10/47/09/387104709.db2.gz ICFDYRQGOCXQKL-RXMQYKEDSA-N 1 0 219.187 1.458 10 10 BDCERO CN1CCN(c2ccc(C[NH3+])cc2F)CC1 ZINC000011757280 132320500 /nfs/dbraw/zinc/32/05/00/132320500.db2.gz DXGFQQPLESHPTR-UHFFFAOYSA-N 1 0 223.295 1.036 10 10 BDCERO C[C@@H]1CN(c2ccc(C[NH3+])cc2)C[C@H](C)O1 ZINC000019865377 132327944 /nfs/dbraw/zinc/32/79/44/132327944.db2.gz WYSREDZTTQWKFG-PHIMTYICSA-N 1 0 220.316 1.759 10 10 BDCERO C[C@@H]([NH3+])c1ccc(N2CCO[C@@H](C)C2)cc1 ZINC000019872137 132328559 /nfs/dbraw/zinc/32/85/59/132328559.db2.gz LGWMHFVMJKLXJB-WDEREUQCSA-N 1 0 220.316 1.931 10 10 BDCERO C[C@@H]([NH3+])c1ccc(N2CCC[C@H](O)C2)cc1 ZINC000042468806 132352262 /nfs/dbraw/zinc/35/22/62/132352262.db2.gz SSLXAECQEXRLJX-MFKMUULPSA-N 1 0 220.316 1.667 10 10 BDCERO C[C@@H]1C[C@@H]([NH3+])CCN1c1ccc2c(c1)OCO2 ZINC000049710009 132357511 /nfs/dbraw/zinc/35/75/11/132357511.db2.gz GGUOJANOBCZVTC-ZJUUUORDSA-N 1 0 234.299 1.731 10 10 BDCERO CCOc1ccc(N2CC[C@@H](C[NH3+])C2)cc1 ZINC000011891672 170549351 /nfs/dbraw/zinc/54/93/51/170549351.db2.gz HIXANNROUBLRFE-NSHDSACASA-N 1 0 220.316 1.870 10 10 BDCERO CC[C@@](O)(c1ccc(O)c(O)c1)[C@@H](C)C[NH3+] ZINC000039096038 171194514 /nfs/dbraw/zinc/19/45/14/171194514.db2.gz OLJIGMREUGNRQH-UFBFGSQYSA-N 1 0 225.288 1.290 10 10 BDCERO CN(C)C[C@@H]1CCC[N@@H+]1Cc1ccc(N)cc1 ZINC000061641695 172486410 /nfs/dbraw/zinc/48/64/10/172486410.db2.gz BFBKMGQZURLAHG-AWEZNQCLSA-N 1 0 233.359 1.795 10 10 BDCERO CN1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCN3C)C1 ZINC000050286820 173124215 /nfs/dbraw/zinc/12/42/15/173124215.db2.gz XXCMAHBBOZJSGE-CQSZACIVSA-N 1 0 245.370 1.473 10 10 BDCERO CN1CCc2cc(C[NH2+][C@H]3CCOC3)ccc21 ZINC000076679388 173170450 /nfs/dbraw/zinc/17/04/50/173170450.db2.gz UNDATSWSONTFDL-ZDUSSCGKSA-N 1 0 232.327 1.557 10 10 BDCERO COc1ccc(N(C)CCCC[NH3+])cc1 ZINC000049814336 175135896 /nfs/dbraw/zinc/13/58/96/175135896.db2.gz XNRKKMXQJWYLKW-UHFFFAOYSA-N 1 0 208.305 1.870 10 10 BDCERO COc1ccc(O)c(C[NH2+][C@@H]2C[C@@H]2C)c1 ZINC000052272081 175158975 /nfs/dbraw/zinc/15/89/75/175158975.db2.gz CUMXAZUIDZPTNJ-GZMMTYOYSA-N 1 0 207.273 1.899 10 10 BDCERO C[C@@H]([NH3+])c1ccc(N2CC[C@H](O)C2)cc1 ZINC000061710633 175817780 /nfs/dbraw/zinc/81/77/80/175817780.db2.gz LREUUHZAMMHUDY-SKDRFNHKSA-N 1 0 206.289 1.277 10 10 BDCERO C[C@H]([NH3+])c1ccc(N(C)CCO)c(F)c1 ZINC000037899404 176776802 /nfs/dbraw/zinc/77/68/02/176776802.db2.gz NUGOZAMCXBTBLP-QMMMGPOBSA-N 1 0 212.268 1.274 10 10 BDCERO C[C@H](c1ccccc1O)N1CC[NH2+]CC1 ZINC000033426854 177042344 /nfs/dbraw/zinc/04/23/44/177042344.db2.gz MMZWIUVEPUBMMU-SNVBAGLBSA-N 1 0 206.289 1.358 10 10 BDCERO COc1ccc(N2CC[NH2+]C[C@@H]2C)cc1OC ZINC000041271027 536705236 /nfs/dbraw/zinc/70/52/36/536705236.db2.gz CKOPICMTRSLGDV-JTQLQIEISA-N 1 0 236.315 1.502 10 10 BDCERO [NH3+]C[C@H]1CCCCN1Cc1cc(F)ccc1O ZINC000219759847 592240027 /nfs/dbraw/zinc/24/00/27/592240027.db2.gz BOMVADLHBIPBEI-GFCCVEGCSA-N 1 0 238.306 1.845 10 10 BDCERO Oc1ccc(F)cc1C[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000226619381 640779873 /nfs/dbraw/zinc/77/98/73/640779873.db2.gz SGHLCBLQFSINNC-NWDGAFQWSA-N 1 0 239.290 1.924 10 10 BDCERO Cc1ccc([C@H](C)[NH2+]C2CC(C(N)=O)C2)c(O)c1 ZINC000716731361 712571478 /nfs/dbraw/zinc/57/14/78/712571478.db2.gz MBNFLZPEEPBSGG-WHXUTIOJSA-N 1 0 248.326 1.615 10 10 BDCERO Cc1cc(O)c([C@@H]([NH3+])CN)cc1Cl ZINC000072200588 178197242 /nfs/dbraw/zinc/19/72/42/178197242.db2.gz ZLFGTUPWPWHSIM-QMMMGPOBSA-N 1 0 200.669 1.313 10 10 BDCERO [NH3+]Cc1cc(F)c(Br)cc1O ZINC000216091105 342814324 /nfs/dbraw/zinc/81/43/24/342814324.db2.gz NNMKHMRJKWAIII-UHFFFAOYSA-N 1 0 220.041 1.753 10 10 BDCERO CN(C)c1ccc(CN2C[C@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000503713167 529780596 /nfs/dbraw/zinc/78/05/96/529780596.db2.gz SGOYOSDWFYUAGY-UKRRQHHQSA-N 1 0 245.370 1.546 10 10 BDCERO Cn1ccnc1[C@@H]([NH3+])c1ccccc1O ZINC000011848565 345030147 /nfs/dbraw/zinc/03/01/47/345030147.db2.gz YPIGIHDAVWKTJB-JTQLQIEISA-N 1 0 203.245 1.174 10 10 BDCERO Cc1cccc(C[NH2+][C@H]2CCO[C@@H]2C)c1O ZINC000162872988 179100932 /nfs/dbraw/zinc/10/09/32/179100932.db2.gz GUUKFYUVYXIQMV-PWSUYJOCSA-N 1 0 221.300 1.968 10 10 BDCERO CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)C=[N+]=N ZINC000095629996 188146627 /nfs/dbraw/zinc/14/66/27/188146627.db2.gz RYELWZGUASQTCN-MRVPVSSYSA-N 1 0 240.283 1.265 10 10 BDCERO N#[N+]CC(=O)[C@@H]1CCc2cc(O)ccc2C1 ZINC000584657425 358309453 /nfs/dbraw/zinc/30/94/53/358309453.db2.gz AJAZPOUGWFDSBC-SNVBAGLBSA-N 1 0 216.240 1.367 10 10 BDCERO N#[N+]CC(=O)OCC=C=Cc1ccccc1 ZINC000584636502 358320949 /nfs/dbraw/zinc/32/09/49/358320949.db2.gz WCIYVHCKAHSFQM-UHFFFAOYSA-N 1 0 214.224 1.699 10 10 BDCERO CN1CCc2cc(C[NH2+]C3COC3)ccc21 ZINC000075144134 359138479 /nfs/dbraw/zinc/13/84/79/359138479.db2.gz ROUCVYYYFQDROQ-UHFFFAOYSA-N 1 0 218.300 1.167 10 10 BDCERO CC(C)Oc1ccc(N2CC[NH+](C)CC2)cc1N ZINC000215977105 371669335 /nfs/dbraw/zinc/66/93/35/371669335.db2.gz HXDAATULUKRKKG-UHFFFAOYSA-N 1 0 249.358 1.808 10 10 BDCERO Oc1ccc(C[NH2+]C2CCC(O)CC2)c(O)c1 ZINC000019918607 183269761 /nfs/dbraw/zinc/26/97/61/183269761.db2.gz CKDRSTPCDGXQTE-UHFFFAOYSA-N 1 0 237.299 1.491 10 10 BDCERO Oc1ccc(C[NH2+]Cc2ccccn2)c(O)c1O ZINC000083374923 183270298 /nfs/dbraw/zinc/27/02/98/183270298.db2.gz SUXVWTASZRMCME-UHFFFAOYSA-N 1 0 246.266 1.488 10 10 BDCERO Oc1cc(Cl)ccc1[C@@H]1COCC[NH2+]1 ZINC000082966756 183258704 /nfs/dbraw/zinc/25/87/04/183258704.db2.gz IFTUAFBNBYCVGJ-VIFPVBQESA-N 1 0 213.664 1.707 10 10 BDCERO Oc1cccc(C[NH2+]Cc2ccccn2)c1O ZINC000041116428 183290627 /nfs/dbraw/zinc/29/06/27/183290627.db2.gz FIVVXYBJXUEVMP-UHFFFAOYSA-N 1 0 230.267 1.783 10 10 BDCERO Oc1ccccc1CNC1=[NH+]CCS1 ZINC000083345492 183301322 /nfs/dbraw/zinc/30/13/22/183301322.db2.gz CAKDMGCHZFAAEC-UHFFFAOYSA-N 1 0 208.286 1.585 10 10 BDCERO Oc1ccccc1C[NH2+][C@H]1CCC[C@H]1O ZINC000125266347 183303909 /nfs/dbraw/zinc/30/39/09/183303909.db2.gz PYBCVWXVNMKILQ-CMPLNLGQSA-N 1 0 207.273 1.395 10 10 BDCERO c1cc2c(cc1N1CCC[NH2+]CCC1)OCCO2 ZINC000049664249 183368873 /nfs/dbraw/zinc/36/88/73/183368873.db2.gz ZFXQGTFZVNCVLP-UHFFFAOYSA-N 1 0 248.326 1.648 10 10 BDCERO CCC[NH2+]Cc1ccc(N(C)CCO)c(C)c1 ZINC000050560689 169267176 /nfs/dbraw/zinc/26/71/76/169267176.db2.gz HWDUVHFLWXEYGD-UHFFFAOYSA-N 1 0 236.359 1.923 10 10 BDCERO CCCOc1ccc(N(C)CC[NH3+])cc1 ZINC000107284266 169319439 /nfs/dbraw/zinc/31/94/39/169319439.db2.gz CZAYVRQYVOFOIY-UHFFFAOYSA-N 1 0 208.305 1.870 10 10 BDCERO C[C@@H](O)[C@@H]([NH3+])c1ccc2[nH]ccc2c1O ZINC000089204358 383946545 /nfs/dbraw/zinc/94/65/45/383946545.db2.gz MAICYBKZWPYRAX-LHLIQPBNSA-N 1 0 206.245 1.254 10 10 BDCERO C[C@H]1c2c(O)c(O)ccc2[C@@H](O)C[N@H+]1C ZINC000039096920 384103992 /nfs/dbraw/zinc/10/39/92/384103992.db2.gz FFPOPDFIKAHFHN-RCOVLWMOSA-N 1 0 209.245 1.138 10 10 BDCERO C[C@H]1OCC[C@@H]1[NH2+]Cc1cc(F)ccc1O ZINC000226618015 386343361 /nfs/dbraw/zinc/34/33/61/386343361.db2.gz VPVKKDVLHPLKRL-KCJUWKMLSA-N 1 0 225.263 1.798 10 10 BDCERO COc1cc(O)c([C@H]([NH3+])CCF)c(OC)c1 ZINC000575438413 387129973 /nfs/dbraw/zinc/12/99/73/387129973.db2.gz IUGQWQVYVISVAA-MRVPVSSYSA-N 1 0 229.251 1.769 10 10 BDCERO C[C@H]1CN(c2ccc(C[NH3+])cc2)C[C@H](C)O1 ZINC000019865381 132327766 /nfs/dbraw/zinc/32/77/66/132327766.db2.gz WYSREDZTTQWKFG-QWRGUYRKSA-N 1 0 220.316 1.759 10 10 BDCERO C[NH2+]Cc1ccc(N2CCOC[C@H]2C)cc1 ZINC000035777815 132339351 /nfs/dbraw/zinc/33/93/51/132339351.db2.gz JPQNMJXNMLHFSA-LLVKDONJSA-N 1 0 220.316 1.631 10 10 BDCERO FC1(F)Oc2ccc(N3CC[NH2+]CC3)cc2O1 ZINC000037635595 132344965 /nfs/dbraw/zinc/34/49/65/132344965.db2.gz JBZLZXRFWMKTFR-UHFFFAOYSA-N 1 0 242.225 1.418 10 10 BDCERO [NH3+]Cc1ccc(N2CCCC[C@@H]2CO)cc1 ZINC000044382436 132354025 /nfs/dbraw/zinc/35/40/25/132354025.db2.gz ZYUKVVIPBRUVJW-CYBMUJFWSA-N 1 0 220.316 1.497 10 10 BDCERO C[NH2+][C@H]1CCN(c2ccc3c(c2)OCO3)C[C@H]1C ZINC000049709986 132357553 /nfs/dbraw/zinc/35/75/53/132357553.db2.gz UPLLJMHFHPKONA-PWSUYJOCSA-N 1 0 248.326 1.850 10 10 BDCERO CN1CCCc2cc(CN3CC[NH2+]CC3)ccc21 ZINC000050287727 132358983 /nfs/dbraw/zinc/35/89/83/132358983.db2.gz ZINCKOPMTDDSQD-UHFFFAOYSA-N 1 0 245.370 1.474 10 10 BDCERO CC(C)[NH2+]C[C@H]1OCCc2c(O)c(O)ccc21 ZINC000011422432 167116950 /nfs/dbraw/zinc/11/69/50/167116950.db2.gz MQBIFSRHBOTBBZ-GFCCVEGCSA-N 1 0 237.299 1.710 10 10 BDCERO CC(C)[NH2+][C@H](C)C(=O)c1ccc(O)c(O)c1 ZINC000001999263 167138924 /nfs/dbraw/zinc/13/89/24/167138924.db2.gz GPHUDPVNXDFRCO-MRVPVSSYSA-N 1 0 223.272 1.667 10 10 in-man BDCERO CC[NH2+]Cc1ccc(N(C)C[C@H](C)O)c(C)c1 ZINC000051839101 170126487 /nfs/dbraw/zinc/12/64/87/170126487.db2.gz GYLGTWJXKMANMC-LBPRGKRZSA-N 1 0 236.359 1.922 10 10 BDCERO CC[NH2+]Cc1ccc(N(CC)CC(=O)NC)cc1 ZINC000042516492 170127225 /nfs/dbraw/zinc/12/72/25/170127225.db2.gz PLAPEYRBWOUDQY-UHFFFAOYSA-N 1 0 249.358 1.368 10 10 BDCERO CC[NH2+]Cc1ccc(N2CC[C@@H](O)C2)cc1 ZINC000061711232 170127341 /nfs/dbraw/zinc/12/73/41/170127341.db2.gz FGEIHNZARQGIEM-CYBMUJFWSA-N 1 0 220.316 1.367 10 10 BDCERO CC[C@H](C)[NH2+][C@H](C(N)=O)c1ccc(O)c(O)c1 ZINC000038064839 171347816 /nfs/dbraw/zinc/34/78/16/171347816.db2.gz YXMMOTHKHBSFLW-CPCISQLKSA-N 1 0 238.287 1.012 10 10 BDCERO CNC(=O)[C@H]1CCC[N@@H+]1CCc1ccc(N)cc1 ZINC000042391359 173306976 /nfs/dbraw/zinc/30/69/76/173306976.db2.gz FZRPBCZAVLFCCZ-CYBMUJFWSA-N 1 0 247.342 1.022 10 10 BDCERO C[NH2+]CCc1ccc(O)c(O)c1Cl ZINC000029393375 173359733 /nfs/dbraw/zinc/35/97/33/173359733.db2.gz HVWATAWSUNCTGP-UHFFFAOYSA-N 1 0 201.653 1.513 10 10 BDCERO C[NH2+]C[C@@H]1CCCc2cc(O)c(O)cc21 ZINC000027893961 173369487 /nfs/dbraw/zinc/36/94/87/173369487.db2.gz JWAFPWBWJHQMSH-VIFPVBQESA-N 1 0 207.273 1.737 10 10 BDCERO C[NH2+]Cc1ccc(N2CC[C@@H](O)C2)c(F)c1 ZINC000061711249 173388787 /nfs/dbraw/zinc/38/87/87/173388787.db2.gz YXICRZNQZCTHMM-SNVBAGLBSA-N 1 0 224.279 1.116 10 10 BDCERO COc1ccc(N(C)[C@H]2CCC[NH2+]C2)cc1 ZINC000049969883 175136372 /nfs/dbraw/zinc/13/63/72/175136372.db2.gz YZSXCNHOIXVIOP-LBPRGKRZSA-N 1 0 220.316 1.883 10 10 BDCERO COc1ccc(N(C)C2CC[NH2+]CC2)cc1 ZINC000049969903 175136723 /nfs/dbraw/zinc/13/67/23/175136723.db2.gz AVHXDHFIVGJCQZ-UHFFFAOYSA-N 1 0 220.316 1.883 10 10 BDCERO COc1ccc(N2CC[C@@H]([NH3+])C2)cc1C ZINC000049530915 175139226 /nfs/dbraw/zinc/13/92/26/175139226.db2.gz FFDUAEKCTUHNOJ-SNVBAGLBSA-N 1 0 206.289 1.541 10 10 BDCERO C[C@@H](c1ccccc1O)N(C)C(=O)C[NH2+]C1CC1 ZINC000037826555 176025527 /nfs/dbraw/zinc/02/55/27/176025527.db2.gz HKFMETMLPCCSRZ-JTQLQIEISA-N 1 0 248.326 1.664 10 10 BDCERO C[C@H](c1ccc(F)cc1O)N1CC[NH2+]CC1 ZINC000062749206 177034571 /nfs/dbraw/zinc/03/45/71/177034571.db2.gz RWWBJAQKGZYFQR-SECBINFHSA-N 1 0 224.279 1.498 10 10 BDCERO C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(N)cc2)C1 ZINC000022153905 177096650 /nfs/dbraw/zinc/09/66/50/177096650.db2.gz IQSBCBPHNKXHQJ-NSHDSACASA-N 1 0 247.342 1.939 10 10 BDCERO OC1CC(C[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000091415548 325686442 /nfs/dbraw/zinc/68/64/42/325686442.db2.gz JTBRYVFVJPUQTH-UHFFFAOYSA-N 1 0 233.311 1.482 10 10 BDCERO COC1CCN(c2ccc(C[NH3+])cc2)CC1 ZINC000020267319 536756180 /nfs/dbraw/zinc/75/61/80/536756180.db2.gz FSCLEOVXQAXUMR-UHFFFAOYSA-N 1 0 220.316 1.761 10 10 BDCERO C[NH+](C)[C@@H]1CCc2c(O)c(O)ccc2C1 ZINC000005689242 560202749 /nfs/dbraw/zinc/20/27/49/560202749.db2.gz LSHRDKPBUUXBAF-SECBINFHSA-N 1 0 207.273 1.517 10 10 in-vitro BDCERO COc1ccc(N2CCOCC2)cc1[C@H](C)[NH3+] ZINC000258225052 349501651 /nfs/dbraw/zinc/50/16/51/349501651.db2.gz KCZCQQGXIZOQLP-JTQLQIEISA-N 1 0 236.315 1.552 10 10 BDCERO Cc1cc(O)c([C@@H]([NH3+])CO)c(C)c1Cl ZINC000072198287 178197402 /nfs/dbraw/zinc/19/74/02/178197402.db2.gz DFLQOIGFTKMPCE-ZETCQYMHSA-N 1 0 215.680 1.655 10 10 BDCERO CCN(CC)c1ccc([C@@H]([NH3+])CO)cc1 ZINC000072198073 343069237 /nfs/dbraw/zinc/06/92/37/343069237.db2.gz IACKUZRDXAIBBW-LBPRGKRZSA-N 1 0 208.305 1.525 10 10 BDCERO NC[C@H]([NH3+])c1cc(C(F)(F)F)ccc1O ZINC000072200994 343069410 /nfs/dbraw/zinc/06/94/10/343069410.db2.gz QZERGLMIQNZNKG-ZETCQYMHSA-N 1 0 220.194 1.370 10 10 BDCERO CCN(CC)c1ccc([C@H](N)C[NH3+])cc1 ZINC000072200705 343069600 /nfs/dbraw/zinc/06/96/00/343069600.db2.gz VPHDGNGIKRYQGA-GFCCVEGCSA-N 1 0 207.321 1.491 10 10 BDCERO CC(=O)c1cc(F)cc(C[NH+](C)C)c1O ZINC000037322853 348319879 /nfs/dbraw/zinc/31/98/79/348319879.db2.gz QOPSMWLBFFWAPP-UHFFFAOYSA-N 1 0 211.236 1.796 10 10 BDCERO COc1ccc2c(c1)[C@]1(C[C@@H]1[NH3+])CN2C ZINC000725247332 538011094 /nfs/dbraw/zinc/01/10/94/538011094.db2.gz MJHCQYDMFBDXME-RYUDHWBXSA-N 1 0 204.273 1.114 10 10 BDCERO Cc1cc(C[NH3+])ccc1N(C)CC(=O)NC(C)C ZINC000042600259 187431862 /nfs/dbraw/zinc/43/18/62/187431862.db2.gz PBZRSRUVICWKSF-UHFFFAOYSA-N 1 0 249.358 1.415 10 10 BDCERO Cc1nccn1C[C@H]([NH3+])c1ccc(O)c(O)c1 ZINC000011848622 180267865 /nfs/dbraw/zinc/26/78/65/180267865.db2.gz SBPVQEKBLHPLJY-JTQLQIEISA-N 1 0 233.271 1.303 10 10 BDCERO [NH3+]CC[C@@H]([NH3+])c1c([O-])cc(F)cc1F ZINC000306870390 353042620 /nfs/dbraw/zinc/04/26/20/353042620.db2.gz VHXRVZCJLNXQFV-SSDOTTSWSA-N 1 0 202.204 1.019 10 10 BDCERO CC1(C)C[C@H]1[NH2+]Cc1cccc(O)c1O ZINC000045118031 188152157 /nfs/dbraw/zinc/15/21/57/188152157.db2.gz RSUNWIMWKBUMEK-SNVBAGLBSA-N 1 0 207.273 1.986 10 10 BDCERO NC(=[NH2+])[C@H]1CCCc2c(O)c(O)ccc21 ZINC000034143075 181192124 /nfs/dbraw/zinc/19/21/24/181192124.db2.gz CNPHJFBUFOBCJJ-QMMMGPOBSA-N 1 0 206.245 1.454 10 10 BDCERO Nc1cc(O)c(O)cc1[C@H](C[NH3+])C1CCCC1 ZINC000584614325 358278932 /nfs/dbraw/zinc/27/89/32/358278932.db2.gz LBTHHEWASKFFIH-SNVBAGLBSA-N 1 0 236.315 1.913 10 10 BDCERO CCCCN(CC(N)=O)c1ccc(C[NH2+]C)cc1 ZINC000042691741 168790400 /nfs/dbraw/zinc/79/04/00/168790400.db2.gz UFUVDAPHHAPAJO-UHFFFAOYSA-N 1 0 249.358 1.498 10 10 BDCERO c1cc(N2CCOCC2)cc2c1C[NH2+]C2 ZINC000113592060 370438730 /nfs/dbraw/zinc/43/87/30/370438730.db2.gz YDQNBBMAXWCRFN-UHFFFAOYSA-N 1 0 204.273 1.126 10 10 BDCERO OCC1([NH2+]Cc2ccc(O)cc2O)CCCC1 ZINC000053044664 183037991 /nfs/dbraw/zinc/03/79/91/183037991.db2.gz AMILCNKFNYUMJC-UHFFFAOYSA-N 1 0 237.299 1.493 10 10 BDCERO Oc1ccc(C[NH2+]Cc2ccco2)c(O)c1O ZINC000083361898 183270349 /nfs/dbraw/zinc/27/03/49/183270349.db2.gz BSWRLUNPVBFCEW-UHFFFAOYSA-N 1 0 235.239 1.686 10 10 BDCERO Oc1cc2c(cc1O)[C@]1(CC[NH2+]C1)CC2 ZINC000039096572 183262342 /nfs/dbraw/zinc/26/23/42/183262342.db2.gz PKVIUDRPVJREQG-LBPRGKRZSA-N 1 0 205.257 1.275 10 10 BDCERO CCC[NH2+][C@](C)(C(N)=O)c1ccc(N(C)C)cc1 ZINC000037902588 169293340 /nfs/dbraw/zinc/29/33/40/169293340.db2.gz KGYHKMJWMCFASA-AWEZNQCLSA-N 1 0 249.358 1.453 10 10 BDCERO COc1cc(F)c(N2CC[NH2+]CC2)c(F)c1 ZINC000087493443 383846966 /nfs/dbraw/zinc/84/69/66/383846966.db2.gz MASUSJBXXWCKAQ-UHFFFAOYSA-N 1 0 228.242 1.383 10 10 BDCERO [NH3+]Cc1ccc(OC(F)(F)F)cc1O ZINC000087493595 383848317 /nfs/dbraw/zinc/84/83/17/383848317.db2.gz RREGSBDURYNDCT-UHFFFAOYSA-N 1 0 207.151 1.750 10 10 BDCERO [NH3+][C@H](CO)c1c(O)ccc2ccccc21 ZINC000072197945 384812065 /nfs/dbraw/zinc/81/20/65/384812065.db2.gz SCCQMKSVLGCKOO-SNVBAGLBSA-N 1 0 203.241 1.538 10 10 BDCERO C[C@H]([NH2+]CC1CC(O)C1)c1ccccc1O ZINC000084445901 384870647 /nfs/dbraw/zinc/87/06/47/384870647.db2.gz DDHSKTPLTPNWFL-WHXUTIOJSA-N 1 0 221.300 1.814 10 10 BDCERO C[C@@H]1OCC[C@@H]1[NH2+]Cc1ccccc1O ZINC000120830444 385433006 /nfs/dbraw/zinc/43/30/06/385433006.db2.gz VEKKZVDOIXVHDV-ONGXEEELSA-N 1 0 207.273 1.659 10 10 BDCERO CC[C@H](NC(=O)OC(C)(C)C)C(=O)C=[N+]=N ZINC000575332519 386681931 /nfs/dbraw/zinc/68/19/31/386681931.db2.gz KJZUMTMJFLYEMF-ZETCQYMHSA-O 1 0 228.272 1.169 10 10 BDCERO [NH3+]CCC[C@@H]([NH3+])c1cc([N+](=O)[O-])ccc1[O-] ZINC000575438800 387119687 /nfs/dbraw/zinc/11/96/87/387119687.db2.gz MOUQGMSNGXDMLJ-SECBINFHSA-N 1 0 225.248 1.039 10 10 BDCERO CCOC(=O)C[C@H]([NH3+])c1ccc(O)cc1O ZINC000575440197 387127245 /nfs/dbraw/zinc/12/72/45/387127245.db2.gz NRVTUBUCTRYDHC-VIFPVBQESA-N 1 0 225.244 1.051 10 10 BDCERO c1cc2c(cc1N1CC[NH2+]CC1)CCCO2 ZINC000034569884 132336719 /nfs/dbraw/zinc/33/67/19/132336719.db2.gz WVLFSMOGFARRCQ-UHFFFAOYSA-N 1 0 218.300 1.421 10 10 BDCERO C[NH+]1CCN(c2ccc3c(c2)OCO3)CC1 ZINC000013470077 132243694 /nfs/dbraw/zinc/24/36/94/132243694.db2.gz CPPMRWSPQKRKKV-UHFFFAOYSA-N 1 0 220.272 1.167 10 10 BDCERO C[NH2+][C@H]1CCN(c2ccc3c(c2)OCO3)[C@H](C)C1 ZINC000049710017 132357472 /nfs/dbraw/zinc/35/74/72/132357472.db2.gz FAJQUWFEVQTQBS-MNOVXSKESA-N 1 0 248.326 1.992 10 10 BDCERO Cc1cc(N2CCO[C@H](C)C2)ccc1C[NH3+] ZINC000050581163 132359353 /nfs/dbraw/zinc/35/93/53/132359353.db2.gz PKXAGLVFDZLNRW-LLVKDONJSA-N 1 0 220.316 1.679 10 10 BDCERO C[C@@H]1CN(c2ccc3c(c2)OCO3)[C@@H](C)C[NH2+]1 ZINC000071543992 132393612 /nfs/dbraw/zinc/39/36/12/132393612.db2.gz XGGMTFKQMCOZQU-ZJUUUORDSA-N 1 0 234.299 1.602 10 10 BDCERO COC[C@H](C)[NH2+]Cc1ccc2c(c1)CCN2C ZINC000050285816 134655964 /nfs/dbraw/zinc/65/59/64/134655964.db2.gz PHFDNHHZUJIMPC-NSHDSACASA-N 1 0 234.343 1.803 10 10 BDCERO CCNC(=O)CN(C)c1ccc(C[NH2+]CC)cc1 ZINC000049727806 170126557 /nfs/dbraw/zinc/12/65/57/170126557.db2.gz DDCIFBPOIGDMLL-UHFFFAOYSA-N 1 0 249.358 1.368 10 10 BDCERO CC[NH2+][C@@H]1c2ccc(N(C)C3CC3)cc2NC1=O ZINC000102453671 170165871 /nfs/dbraw/zinc/16/58/71/170165871.db2.gz QGNAOWBUEHKCBL-CYBMUJFWSA-N 1 0 245.326 1.888 10 10 BDCERO CC[C@](O)(c1ccc(O)c(O)c1)[C@H](C)C[NH3+] ZINC000039096036 171710369 /nfs/dbraw/zinc/71/03/69/171710369.db2.gz OLJIGMREUGNRQH-PRHODGIISA-N 1 0 225.288 1.290 10 10 BDCERO C[N@@H+]1CC[C@@H](CNc2ccc(N)cc2)C1 ZINC000037484602 173116912 /nfs/dbraw/zinc/11/69/12/173116912.db2.gz HVENIFXVSXAARK-JTQLQIEISA-N 1 0 205.305 1.632 10 10 BDCERO CNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000042560948 173295444 /nfs/dbraw/zinc/29/54/44/173295444.db2.gz FYXAICNZIWGREL-VHSXEESVSA-N 1 0 236.315 1.486 10 10 BDCERO C[NH2+]CCN(C)c1cc(C)c(OC)cc1C ZINC000082599709 173353799 /nfs/dbraw/zinc/35/37/99/173353799.db2.gz CFDXBWCQNLWIOL-UHFFFAOYSA-N 1 0 222.332 1.968 10 10 BDCERO COCC[NH2+]Cc1ccc(OC)cc1O ZINC000040905601 174335643 /nfs/dbraw/zinc/33/56/43/174335643.db2.gz VSRDPJXPZCNEKJ-UHFFFAOYSA-N 1 0 211.261 1.137 10 10 BDCERO COc1ccc2c(c1)[C@@H](CC[NH3+])CN2C ZINC000020446655 175213914 /nfs/dbraw/zinc/21/39/14/175213914.db2.gz INWKJQGOFMYYSZ-VIFPVBQESA-N 1 0 206.289 1.577 10 10 BDCERO COc1ccc2c(c1)[C@H](CC[NH3+])CN2C ZINC000020446651 175216453 /nfs/dbraw/zinc/21/64/53/175216453.db2.gz INWKJQGOFMYYSZ-SECBINFHSA-N 1 0 206.289 1.577 10 10 BDCERO COc1ccc(N2CC[NH2+]C[C@H]2C)c(OC)c1 ZINC000041271019 536705292 /nfs/dbraw/zinc/70/52/92/536705292.db2.gz PWXDVYWIGKQAQA-SNVBAGLBSA-N 1 0 236.315 1.502 10 10 BDCERO Cc1ccc(O)c(C[NH2+][C@H](C)[C@H](C)O)c1 ZINC000309053611 632631479 /nfs/dbraw/zinc/63/14/79/632631479.db2.gz SIPZFNDPYJNXFG-ZJUUUORDSA-N 1 0 209.289 1.560 10 10 BDCERO c1cc2c(cc1C[NH2+]C[C@H]1CC[NH2+]C1)CCCO2 ZINC000258854381 635213360 /nfs/dbraw/zinc/21/33/60/635213360.db2.gz ICDMQWILDVFDPL-ZDUSSCGKSA-N 1 0 246.354 1.711 10 10 BDCERO [NH3+]C[C@@H]1CCCCN1Cc1ccccc1O ZINC000044540103 641606008 /nfs/dbraw/zinc/60/60/08/641606008.db2.gz ZUYDHJXXMPYPMP-LBPRGKRZSA-N 1 0 220.316 1.705 10 10 BDCERO COc1ccc(C[NH2+][C@@H]2CCCNC2=O)cc1C ZINC000050395298 643697406 /nfs/dbraw/zinc/69/74/06/643697406.db2.gz HUOOJYOIJNFDCQ-GFCCVEGCSA-N 1 0 248.326 1.372 10 10 BDCERO Cc1ccc(O)c(C[NH2+]C[C@@H]2CC(=O)N(C)C2)c1 ZINC000723571725 711518108 /nfs/dbraw/zinc/51/81/08/711518108.db2.gz UWLIUBJFXQFMEM-NSHDSACASA-N 1 0 248.326 1.269 10 10 BDCERO C[C@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)c1ccccc1O ZINC000723570310 711518172 /nfs/dbraw/zinc/51/81/72/711518172.db2.gz FAOAYSMNDHDJHH-QWRGUYRKSA-N 1 0 248.326 1.521 10 10 BDCERO Cc1cc(O)c([C@H]([NH3+])CO)cc1Br ZINC000072199014 178197027 /nfs/dbraw/zinc/19/70/27/178197027.db2.gz SONNOLYFBSGPGV-MRVPVSSYSA-N 1 0 246.104 1.455 10 10 BDCERO Cc1cc(O)c([C@H]([NH3+])CO)c(C)c1Cl ZINC000072198286 178197435 /nfs/dbraw/zinc/19/74/35/178197435.db2.gz DFLQOIGFTKMPCE-SSDOTTSWSA-N 1 0 215.680 1.655 10 10 BDCERO Cc1cc(O)c([C@H]([NH3+])CN)c(C)c1Cl ZINC000072200879 178197534 /nfs/dbraw/zinc/19/75/34/178197534.db2.gz OBIKJBBCDJUYQP-SSDOTTSWSA-N 1 0 214.696 1.621 10 10 BDCERO C[C@H](O)[C@H]1CCC[N@@H+]1Cc1ccc(N)cc1 ZINC000146681936 342771535 /nfs/dbraw/zinc/77/15/35/342771535.db2.gz IZPOHWUZLKPKQN-GXFFZTMASA-N 1 0 220.316 1.614 10 10 BDCERO COc1ccc(N2CC[NH2+][C@H](C)C2)c(OC)c1 ZINC000055232336 536705432 /nfs/dbraw/zinc/70/54/32/536705432.db2.gz KZDXFFBBPZJKOO-SNVBAGLBSA-N 1 0 236.315 1.502 10 10 BDCERO NC[C@@H]([NH3+])c1cc(OC(F)(F)F)ccc1O ZINC000072201329 343069814 /nfs/dbraw/zinc/06/98/14/343069814.db2.gz KYMLBNMKNJWQTN-SSDOTTSWSA-N 1 0 236.193 1.249 10 10 BDCERO [NH3+]CC[C@@H]([NH3+])c1c(F)ccc(F)c1[O-] ZINC000306669971 362032512 /nfs/dbraw/zinc/03/25/12/362032512.db2.gz BXRZVOCCCSBSEO-SSDOTTSWSA-N 1 0 202.204 1.019 10 10 BDCERO Nc1ccc(N2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000059996660 343715278 /nfs/dbraw/zinc/71/52/78/343715278.db2.gz CXQBYWWEFMGQBR-CQSZACIVSA-N 1 0 231.343 1.943 10 10 BDCERO [NH3+][C@@H](CCO)c1cc(Br)ccc1O ZINC000044232154 344988524 /nfs/dbraw/zinc/98/85/24/344988524.db2.gz YWXCAUMAAUBFGO-QMMMGPOBSA-N 1 0 246.104 1.537 10 10 BDCERO Oc1cccc2c1[C@@H]([NH2+]CC1CC(O)C1)CC2 ZINC000380213107 347145278 /nfs/dbraw/zinc/14/52/78/347145278.db2.gz IMZKOUDRTPHHKO-NHNAUAITSA-N 1 0 233.311 1.740 10 10 BDCERO CO[C@H]1CCOc2ccc(N3CC[NH2+]CC3)cc21 ZINC000167809790 347184299 /nfs/dbraw/zinc/18/42/99/347184299.db2.gz GTVPJNXQMCHYAB-ZDUSSCGKSA-N 1 0 248.326 1.566 10 10 BDCERO [NH3+]CC[C@H]([NH3+])c1c([O-])c(F)ccc1Cl ZINC000306716080 350875061 /nfs/dbraw/zinc/87/50/61/350875061.db2.gz FPZAJCSPJQLLSS-ZETCQYMHSA-N 1 0 218.659 1.533 10 10 BDCERO CCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(N)cc1 ZINC000037097826 169086530 /nfs/dbraw/zinc/08/65/30/169086530.db2.gz BOFAJESKIDPZPA-SNVBAGLBSA-N 1 0 235.331 1.938 10 10 BDCERO Oc1ccc(C[NH2+]Cc2cccnc2)c(O)c1 ZINC000020140712 183270174 /nfs/dbraw/zinc/27/01/74/183270174.db2.gz OUOHLBKZLNAZOP-UHFFFAOYSA-N 1 0 230.267 1.783 10 10 BDCERO Oc1ccc(F)cc1C[NH2+]C[C@H]1CCC[C@H]1O ZINC000226612943 183275626 /nfs/dbraw/zinc/27/56/26/183275626.db2.gz JEZSBSUPELOPSQ-BXKDBHETSA-N 1 0 239.290 1.782 10 10 BDCERO Oc1cc2c(cc1O)[C@@H]1C[NH2+]CC[C@H]1CC2 ZINC000027557127 183263312 /nfs/dbraw/zinc/26/33/12/183263312.db2.gz ZNJGHPNNTLGWNL-LDYMZIIASA-N 1 0 219.284 1.737 10 10 BDCERO c1csc(SC[C@H]2CC[NH2+]C2)n1 ZINC000051891075 384700143 /nfs/dbraw/zinc/70/01/43/384700143.db2.gz IAYFBRQVBQDPSI-ZETCQYMHSA-N 1 0 200.332 1.845 10 10 BDCERO [NH3+][C@@H](CO)c1cc(C(F)(F)F)ccc1O ZINC000072198398 384815523 /nfs/dbraw/zinc/81/55/23/384815523.db2.gz SIBBISQLNPCWEK-ZETCQYMHSA-N 1 0 221.178 1.403 10 10 BDCERO Cc1cc(Br)cc([C@H]([NH3+])CO)c1O ZINC000072199012 384815737 /nfs/dbraw/zinc/81/57/37/384815737.db2.gz LZOZXZTZZNGXBD-MRVPVSSYSA-N 1 0 246.104 1.455 10 10 BDCERO NC[C@H]([NH3+])c1cc(Br)ccc1O ZINC000072201254 385333868 /nfs/dbraw/zinc/33/38/68/385333868.db2.gz QINNUTRHTCDMQB-ZETCQYMHSA-N 1 0 231.093 1.113 10 10 BDCERO CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)C=[N+]=N ZINC000575409290 388473307 /nfs/dbraw/zinc/47/33/07/388473307.db2.gz WMTUFVUYCWSPNO-VIFPVBQESA-O 1 0 242.299 1.415 10 10 BDCERO C[NH2+]Cc1ccc(N2CCO[C@@H](C)C2)cc1 ZINC000034823455 132336965 /nfs/dbraw/zinc/33/69/65/132336965.db2.gz SWQNEJQESUEQBW-NSHDSACASA-N 1 0 220.316 1.631 10 10 BDCERO C[C@H]([NH3+])c1ccc(N2CCC[C@H](O)C2)cc1 ZINC000042468803 132352337 /nfs/dbraw/zinc/35/23/37/132352337.db2.gz SSLXAECQEXRLJX-GWCFXTLKSA-N 1 0 220.316 1.667 10 10 BDCERO C[C@@H]1C[C@H]([NH3+])CCN1c1ccc2c(c1)OCCO2 ZINC000049708403 132356884 /nfs/dbraw/zinc/35/68/84/132356884.db2.gz BCRGAYXTBPQZAN-GHMZBOCLSA-N 1 0 248.326 1.774 10 10 BDCERO Cc1cc(N2CCOCC2)ccc1C[NH3+] ZINC000050580949 132359230 /nfs/dbraw/zinc/35/92/30/132359230.db2.gz IQCOGKZPRHJTMI-UHFFFAOYSA-N 1 0 206.289 1.290 10 10 BDCERO C[C@H]1CN(c2ccc3c(c2)OCO3)[C@@H](C)C[NH2+]1 ZINC000071543995 132393591 /nfs/dbraw/zinc/39/35/91/132393591.db2.gz XGGMTFKQMCOZQU-UWVGGRQHSA-N 1 0 234.299 1.602 10 10 BDCERO C[C@H]1CN(c2ccc3c(c2)OCCO3)[C@@H](C)C[NH2+]1 ZINC000071563052 132394748 /nfs/dbraw/zinc/39/47/48/132394748.db2.gz LUOICCLNQZTTCS-QWRGUYRKSA-N 1 0 248.326 1.644 10 10 BDCERO CC(C)[NH2+]C[C@H]1OCc2c1ccc(O)c2O ZINC000039098605 167117661 /nfs/dbraw/zinc/11/76/61/167117661.db2.gz ZYUHGMPNKZHOSE-LLVKDONJSA-N 1 0 223.272 1.667 10 10 BDCERO CCNC(=O)C[NH2+][C@H](CC)c1ccccc1O ZINC000036780345 170065435 /nfs/dbraw/zinc/06/54/35/170065435.db2.gz PUIVZJBNFGXVMA-LLVKDONJSA-N 1 0 236.315 1.569 10 10 BDCERO CC[NH2+]Cc1ccc(N(C)C[C@@H](C)O)c(C)c1 ZINC000051839099 170126542 /nfs/dbraw/zinc/12/65/42/170126542.db2.gz GYLGTWJXKMANMC-GFCCVEGCSA-N 1 0 236.359 1.922 10 10 BDCERO CC[NH2+]Cc1ccc(N(CC(N)=O)C(C)C)cc1 ZINC000042438425 170127497 /nfs/dbraw/zinc/12/74/97/170127497.db2.gz NJKBVTDTRVPJDY-UHFFFAOYSA-N 1 0 249.358 1.496 10 10 BDCERO CCOCCC[NH2+]Cc1ccc(OC)cc1O ZINC000040905824 170381324 /nfs/dbraw/zinc/38/13/24/170381324.db2.gz FBTOREXSUPELHN-UHFFFAOYSA-N 1 0 239.315 1.917 10 10 BDCERO C[N@@H+]1CCC[C@H](c2ccc(O)c(O)c2)C1 ZINC000033829001 173048637 /nfs/dbraw/zinc/04/86/37/173048637.db2.gz UWXIEGJSOHTCPF-JTQLQIEISA-N 1 0 207.273 1.907 10 10 BDCERO CN(C)c1ccc(CNN2CC[NH+](C)CC2)cc1 ZINC000075423498 173092897 /nfs/dbraw/zinc/09/28/97/173092897.db2.gz QOOLFLZLFUGLIQ-UHFFFAOYSA-N 1 0 248.374 1.005 10 10 BDCERO CN1CCc2cc([C@H](C[NH3+])N3CCCC3)ccc21 ZINC000034936241 173172665 /nfs/dbraw/zinc/17/26/65/173172665.db2.gz JBQRHIFZTANXKI-HNNXBMFYSA-N 1 0 245.370 1.775 10 10 BDCERO C[NH2+]C(C)(C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000061318379 173318417 /nfs/dbraw/zinc/31/84/17/173318417.db2.gz XNYNWDSBABJZQS-UHFFFAOYSA-N 1 0 249.358 1.367 10 10 BDCERO COc1ccc(C[NH2+][C@H]2CCC(=O)NC2)cc1C ZINC000104351211 175111146 /nfs/dbraw/zinc/11/11/46/175111146.db2.gz BMIBMNPKNYTBKN-LBPRGKRZSA-N 1 0 248.326 1.372 10 10 BDCERO COc1cccc(C[NH2+][C@@H]2C[C@H]2C)c1O ZINC000052270971 175267026 /nfs/dbraw/zinc/26/70/26/175267026.db2.gz VRSBVXPNEHHLTK-PSASIEDQSA-N 1 0 207.273 1.899 10 10 BDCERO C[C@@H](c1cc(O)ccc1O)N1CCC[NH2+]CC1 ZINC000038086826 176013571 /nfs/dbraw/zinc/01/35/71/176013571.db2.gz IBZDYBVNBHBQPP-JTQLQIEISA-N 1 0 236.315 1.454 10 10 BDCERO C[C@@H]1CCC[N@@H+]1CC(=O)N(C)c1ccc(N)cc1 ZINC000037909981 176108735 /nfs/dbraw/zinc/10/87/35/176108735.db2.gz CNNIIYBQVBDNMD-LLVKDONJSA-N 1 0 247.342 1.716 10 10 BDCERO C[C@@H]1CCN(c2ccc3c(c2)OCO3)CC[NH2+]1 ZINC000049661794 176181738 /nfs/dbraw/zinc/18/17/38/176181738.db2.gz NPINOFLAHOFBIB-SNVBAGLBSA-N 1 0 234.299 1.604 10 10 BDCERO C[C@@H]1C[NH2+]C[C@H](c2ccc(O)c(O)c2)O1 ZINC000033639346 176329707 /nfs/dbraw/zinc/32/97/07/176329707.db2.gz HEISVMTVCWTFNN-RDDDGLTNSA-N 1 0 209.245 1.147 10 10 BDCERO C[C@H](c1ccc(O)cc1O)N1CC[NH2+]CC1 ZINC000038086705 177035440 /nfs/dbraw/zinc/03/54/40/177035440.db2.gz RQTIMHCLTZYXDX-SECBINFHSA-N 1 0 222.288 1.064 10 10 BDCERO C[C@H](c1ccc(O)cc1O)N(C)[C@@H]1CC[NH2+]C1 ZINC000071309259 177035643 /nfs/dbraw/zinc/03/56/43/177035643.db2.gz PGOILTCWAWBYNP-NXEZZACHSA-N 1 0 236.315 1.453 10 10 BDCERO C[C@H]1CCC[N@@H+]1Cc1cc(N)ccc1O ZINC000037909970 177110345 /nfs/dbraw/zinc/11/03/45/177110345.db2.gz ABPJJMDRTABGMJ-VIFPVBQESA-N 1 0 206.289 1.959 10 10 BDCERO C[C@H]1CCN(c2ccc3c(c2)OCO3)CCC[NH2+]1 ZINC000049665582 177170802 /nfs/dbraw/zinc/17/08/02/177170802.db2.gz JWGDEJMOLFQQAV-NSHDSACASA-N 1 0 248.326 1.994 10 10 BDCERO C[C@H]1C[NH2+]C[C@@H](c2ccc(O)c(O)c2)O1 ZINC000033639349 177286027 /nfs/dbraw/zinc/28/60/27/177286027.db2.gz HEISVMTVCWTFNN-CPCISQLKSA-N 1 0 209.245 1.147 10 10 BDCERO CN1CCCc2cc(C[NH2+]C(C)(C)CO)ccc21 ZINC000050286284 536396963 /nfs/dbraw/zinc/39/69/63/536396963.db2.gz MHJSLZDPTPFPIW-UHFFFAOYSA-N 1 0 248.370 1.930 10 10 BDCERO C[NH2+][C@H](C)c1ccc(N2CCNC(=O)[C@H]2C)cc1 ZINC000104137888 536406678 /nfs/dbraw/zinc/40/66/78/536406678.db2.gz WVSZGBLOIGOSNW-GHMZBOCLSA-N 1 0 247.342 1.292 10 10 BDCERO COc1cc(C)c(N2CC[NH2+]CC2)cc1C ZINC000071522638 536579805 /nfs/dbraw/zinc/57/98/05/536579805.db2.gz RIGTXUSPYOKGIB-UHFFFAOYSA-N 1 0 220.316 1.722 10 10 BDCERO COc1ccc(N2CCN(C(C)=[NH2+])CC2)cc1 ZINC000062987106 536693369 /nfs/dbraw/zinc/69/33/69/536693369.db2.gz OQBRZIPESUBLCP-UHFFFAOYSA-N 1 0 233.315 1.814 10 10 BDCERO COc1ccc(N2CC[NH2+]CC2)c2occc21 ZINC000013741473 536704098 /nfs/dbraw/zinc/70/40/98/536704098.db2.gz RXAVZKRLJGNHLV-UHFFFAOYSA-N 1 0 232.283 1.851 10 10 BDCERO Cc1ccc(O)c(C[NH2+][C@@H](C)[C@@H](C)O)c1 ZINC000309053608 632631392 /nfs/dbraw/zinc/63/13/92/632631392.db2.gz SIPZFNDPYJNXFG-VHSXEESVSA-N 1 0 209.289 1.560 10 10 BDCERO [NH3+][C@@H]1CC[C@@H](C(=O)NCc2ccccc2O)C1 ZINC000228421181 640874323 /nfs/dbraw/zinc/87/43/23/640874323.db2.gz BKDKCHDZSNYDHE-MWLCHTKSSA-N 1 0 234.299 1.136 10 10 BDCERO CC[C@@H]([NH3+])c1cc(CCOC)ccc1O ZINC000238272592 641199477 /nfs/dbraw/zinc/19/94/77/641199477.db2.gz UMXNOAJVFQHBTR-LLVKDONJSA-N 1 0 209.289 1.991 10 10 BDCERO CN(C)c1ccc(C[NH2+]CC2CC(O)C2)cc1 ZINC000091424975 644625179 /nfs/dbraw/zinc/62/51/79/644625179.db2.gz JZQBQFWSQSDCTH-UHFFFAOYSA-N 1 0 234.343 1.613 10 10 BDCERO C[C@@H](O)[C@@H](C)[NH2+]Cc1c(O)cccc1Cl ZINC000379920817 712627153 /nfs/dbraw/zinc/62/71/53/712627153.db2.gz HNEHQNUIMCKHEZ-HTQZYQBOSA-N 1 0 229.707 1.905 10 10 BDCERO Cc1cc(O)c([C@@H]([NH3+])CN)c(C)c1Cl ZINC000072200880 178197698 /nfs/dbraw/zinc/19/76/98/178197698.db2.gz OBIKJBBCDJUYQP-ZETCQYMHSA-N 1 0 214.696 1.621 10 10 BDCERO Cc1cccc(C[NH2+]CCN(C)C)c1O ZINC000083345523 179091718 /nfs/dbraw/zinc/09/17/18/179091718.db2.gz NGNVWGDLRQZFNR-UHFFFAOYSA-N 1 0 208.305 1.352 10 10 BDCERO CC(C)[N@H+](CCCO)CCc1ccc(N)cc1 ZINC000042483024 188121006 /nfs/dbraw/zinc/12/10/06/188121006.db2.gz AILRNOJEGHUJFP-UHFFFAOYSA-N 1 0 236.359 1.904 10 10 BDCERO Nc1ccc(N2CC[NH+](C3CCC3)CC2)cc1 ZINC000115107379 355983518 /nfs/dbraw/zinc/98/35/18/355983518.db2.gz KBFWMFUNFCMWND-UHFFFAOYSA-N 1 0 231.343 1.943 10 10 BDCERO NC(=O)[C@@H]1CCC[N@H+](CCc2ccc(N)cc2)C1 ZINC000035677193 181269575 /nfs/dbraw/zinc/26/95/75/181269575.db2.gz YESHNVKKSZOCEG-GFCCVEGCSA-N 1 0 247.342 1.009 10 10 BDCERO [NH3+]CC[C@H]([NH3+])c1cc(F)cc(Cl)c1[O-] ZINC000306608830 360568206 /nfs/dbraw/zinc/56/82/06/360568206.db2.gz JPCOHOQYQRHVSD-QMMMGPOBSA-N 1 0 218.659 1.533 10 10 BDCERO c1csc(SC[C@@H]2C[NH2+]CCO2)n1 ZINC000070649843 361696103 /nfs/dbraw/zinc/69/61/03/361696103.db2.gz LXNNXEHCULWMLV-ZETCQYMHSA-N 1 0 216.331 1.224 10 10 BDCERO Oc1ccc(C[NH2+]CCCn2ccnc2)c(O)c1 ZINC000020506310 183270822 /nfs/dbraw/zinc/27/08/22/183270822.db2.gz SJCTXVCQEXLFBB-UHFFFAOYSA-N 1 0 247.298 1.474 10 10 BDCERO Oc1ccc(C[C@@H]2CCCC[NH2+]2)cc1O ZINC000033826830 183271751 /nfs/dbraw/zinc/27/17/51/183271751.db2.gz AUYONLNUNWGRLG-JTQLQIEISA-N 1 0 207.273 1.782 10 10 BDCERO CCCNC(=O)C[NH2+]Cc1ccccc1O ZINC000036780852 169227402 /nfs/dbraw/zinc/22/74/02/169227402.db2.gz NRTCJNOEVJORKI-UHFFFAOYSA-N 1 0 222.288 1.008 10 10 BDCERO COc1c(F)cc(N2CC[NH2+]CC2)cc1F ZINC000087493659 383847521 /nfs/dbraw/zinc/84/75/21/383847521.db2.gz YELLYPZWVJIJFO-UHFFFAOYSA-N 1 0 228.242 1.383 10 10 BDCERO Cc1cc(Br)cc([C@@H]([NH3+])CO)c1O ZINC000072199013 384815624 /nfs/dbraw/zinc/81/56/24/384815624.db2.gz LZOZXZTZZNGXBD-QMMMGPOBSA-N 1 0 246.104 1.455 10 10 BDCERO COC(=O)[C@]1(C)CCC[N@@H+]1Cc1ccccc1O ZINC000189985790 385201753 /nfs/dbraw/zinc/20/17/53/385201753.db2.gz CIMLYHNSADRXGM-AWEZNQCLSA-N 1 0 249.310 1.920 10 10 BDCERO c1coc(-c2ccc(N3CC[NH2+]CC3)cc2)n1 ZINC000082541642 132310374 /nfs/dbraw/zinc/31/03/74/132310374.db2.gz SRVNVWFWJAOCKP-UHFFFAOYSA-N 1 0 229.283 1.751 10 10 BDCERO Cc1cc(C[NH3+])ccc1N1CCOCC1 ZINC000037733126 132345363 /nfs/dbraw/zinc/34/53/63/132345363.db2.gz PKMHGLFKZHOOBM-UHFFFAOYSA-N 1 0 206.289 1.290 10 10 BDCERO C[NH2+][C@H]1CCN(c2ccc3c(c2)OCO3)C[C@@H]1C ZINC000049709988 132357580 /nfs/dbraw/zinc/35/75/80/132357580.db2.gz UPLLJMHFHPKONA-JQWIXIFHSA-N 1 0 248.326 1.850 10 10 BDCERO C[NH2+]Cc1ccc(N2CCOCC2)cc1C ZINC000050580950 132359330 /nfs/dbraw/zinc/35/93/30/132359330.db2.gz SADSPBFRZKYXCA-UHFFFAOYSA-N 1 0 220.316 1.551 10 10 BDCERO C[C@@H]1C[NH2+][C@@H](C)CN1c1ccc2c(c1)OCCO2 ZINC000071563051 132394646 /nfs/dbraw/zinc/39/46/46/132394646.db2.gz LUOICCLNQZTTCS-WDEREUQCSA-N 1 0 248.326 1.644 10 10 BDCERO CC(C)[NH2+]C[C@H](O)COc1ccc(N)cc1 ZINC000005138348 167114559 /nfs/dbraw/zinc/11/45/59/167114559.db2.gz MBHQWSSJIBMVIA-NSHDSACASA-N 1 0 224.304 1.007 10 10 BDCERO CC(C)Oc1ccc(N(C)C[C@@H](O)C[NH3+])cc1 ZINC000077384008 167296015 /nfs/dbraw/zinc/29/60/15/167296015.db2.gz QVTZKAOFEYFDQB-LBPRGKRZSA-N 1 0 238.331 1.230 10 10 BDCERO CCNC(=O)CC[N@H+](CC)Cc1ccc(N)cc1 ZINC000051760115 170051007 /nfs/dbraw/zinc/05/10/07/170051007.db2.gz BCMYUDVHHMUYSI-UHFFFAOYSA-N 1 0 249.358 1.617 10 10 BDCERO CCNC(=O)CN(CC)c1ccc(C[NH3+])cc1 ZINC000034654427 170056905 /nfs/dbraw/zinc/05/69/05/170056905.db2.gz SWQGZFLAPPAQRI-UHFFFAOYSA-N 1 0 235.331 1.108 10 10 BDCERO CC[NH2+][C@H](C)c1ccc(N2CC[C@H](O)C2)cc1 ZINC000061710651 170159576 /nfs/dbraw/zinc/15/95/76/170159576.db2.gz CBKZFJAPOQJCCA-RISCZKNCSA-N 1 0 234.343 1.928 10 10 BDCERO COc1ccc(O)c(C[NH2+]CC2CC(O)C2)c1 ZINC000091425312 322929936 /nfs/dbraw/zinc/92/99/36/322929936.db2.gz KWTYWTUJEDYGGG-UHFFFAOYSA-N 1 0 237.299 1.261 10 10 BDCERO C[NH+](C)CCCC(=O)Nc1ccc(N)cc1 ZINC000022217541 172426463 /nfs/dbraw/zinc/42/64/63/172426463.db2.gz DHEVTZTZHHJPQW-UHFFFAOYSA-N 1 0 221.304 1.549 10 10 BDCERO CNC(=O)C[N@H+](Cc1ccc(N)cc1)C(C)C ZINC000035365358 173272935 /nfs/dbraw/zinc/27/29/35/173272935.db2.gz LCXCRWKIEMNFJA-UHFFFAOYSA-N 1 0 235.331 1.225 10 10 BDCERO C[NH2+]Cc1ccc(OC)c(Cn2ccnc2)c1 ZINC000016942125 173388974 /nfs/dbraw/zinc/38/89/74/173388974.db2.gz OFHFCABZHXXEEI-UHFFFAOYSA-N 1 0 231.299 1.659 10 10 BDCERO COc1ccc(CN2CC[NH2+][C@H](C)C2)c(O)c1 ZINC000083363730 175101359 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/nfs/dbraw/zinc/12/07/31/188120731.db2.gz HCRFKRUULSRBDT-UHFFFAOYSA-N 1 0 249.358 1.354 10 10 BDCERO CN(C)c1ccc(C[NH3+])cc1OC1CC1 ZINC000095737749 188146286 /nfs/dbraw/zinc/14/62/86/188146286.db2.gz RKEBFXCNRPTEHT-UHFFFAOYSA-N 1 0 206.289 1.753 10 10 BDCERO NC(=O)CC[NH2+]Cc1c(O)ccc2ccccc21 ZINC000036747024 181225685 /nfs/dbraw/zinc/22/56/85/181225685.db2.gz AZRSGKLXTXVWSV-UHFFFAOYSA-N 1 0 244.294 1.510 10 10 BDCERO COC(=O)C(CC=Cc1ccccc1)[N+]#N ZINC000584610016 358272505 /nfs/dbraw/zinc/27/25/05/358272505.db2.gz BHNSGGIEIPOJBU-VMPITWQZSA-N 1 0 216.240 1.934 10 10 BDCERO C[C@H]1Cc2nc[nH]c2[C@@H](c2ccccc2O)[NH2+]1 ZINC000584647974 358302814 /nfs/dbraw/zinc/30/28/14/358302814.db2.gz NCQYLJPYWGWZME-QPUJVOFHSA-N 1 0 229.283 1.739 10 10 BDCERO c1csc(SC[C@H]2C[NH2+]CCO2)n1 ZINC000070649844 361695853 /nfs/dbraw/zinc/69/58/53/361695853.db2.gz LXNNXEHCULWMLV-SSDOTTSWSA-N 1 0 216.331 1.224 10 10 BDCERO Nc1ccc(CC[NH2+]C[C@@H]2CCCCO2)cc1 ZINC000042825459 181704842 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/nfs/dbraw/zinc/32/84/35/132328435.db2.gz NNTWLWROBBDLHU-SECBINFHSA-N 1 0 238.306 1.807 10 10 BDCERO Cc1cc(C[NH3+])ccc1N1CCC[C@H](O)C1 ZINC000037733249 132345426 /nfs/dbraw/zinc/34/54/26/132345426.db2.gz YFBNOEGZKWJVRT-LBPRGKRZSA-N 1 0 220.316 1.415 10 10 BDCERO C[C@@H]1CC[C@@H](C(N)=O)CN1c1ccc(C[NH3+])cc1 ZINC000042427016 132352028 /nfs/dbraw/zinc/35/20/28/132352028.db2.gz FKBKRENTJUZILD-ZYHUDNBSSA-N 1 0 247.342 1.236 10 10 BDCERO C[C@H]([NH3+])c1ccc(N2CCn3ccnc3C2)cc1 ZINC000062252889 132387607 /nfs/dbraw/zinc/38/76/07/132387607.db2.gz GNOSWZAPWDAYCO-NSHDSACASA-N 1 0 242.326 1.923 10 10 BDCERO CCNC(=O)[C@H](C)[N@H+](C)Cc1ccc(N)cc1 ZINC000035360542 170092588 /nfs/dbraw/zinc/09/25/88/170092588.db2.gz ZDMHGROKJZFSSW-JTQLQIEISA-N 1 0 235.331 1.225 10 10 BDCERO CC[NH2+]C[C@@H]1CCc2c1ccc(O)c2O ZINC000029209072 170120815 /nfs/dbraw/zinc/12/08/15/170120815.db2.gz GJWWFKLPFVPKEG-QMMMGPOBSA-N 1 0 207.273 1.737 10 10 BDCERO CN(CCCn1ccnc1)c1ccc(C[NH3+])cc1 ZINC000049327494 172723399 /nfs/dbraw/zinc/72/33/99/172723399.db2.gz HSESVKSBMQPXIP-UHFFFAOYSA-N 1 0 244.342 1.868 10 10 BDCERO CN(CCO)c1ccc(C[NH3+])c(C(F)(F)F)c1 ZINC000037899043 172761038 /nfs/dbraw/zinc/76/10/38/172761038.db2.gz QWKORLZOLIKQMF-UHFFFAOYSA-N 1 0 248.248 1.593 10 10 BDCERO COCCC[N@H+](C)CCOc1ccc(N)cc1 ZINC000062029116 174216813 /nfs/dbraw/zinc/21/68/13/174216813.db2.gz YONQFSZWSUIBHG-UHFFFAOYSA-N 1 0 238.331 1.616 10 10 BDCERO COCCC[NH2+]Cc1ccc(O)cc1O ZINC000020142271 174248717 /nfs/dbraw/zinc/24/87/17/174248717.db2.gz VSBOXCSIUZTWEW-UHFFFAOYSA-N 1 0 211.261 1.224 10 10 BDCERO COc1ccc(N(C)CCC[NH3+])c(OC)c1C ZINC000107291311 175136094 /nfs/dbraw/zinc/13/60/94/175136094.db2.gz PCFQHHYEJSAODI-UHFFFAOYSA-N 1 0 238.331 1.797 10 10 BDCERO COc1ccc(N2CCC[NH2+]CC2)cc1F ZINC000049660611 175139624 /nfs/dbraw/zinc/13/96/24/175139624.db2.gz LYENFQKZYYGZOS-UHFFFAOYSA-N 1 0 224.279 1.634 10 10 BDCERO C[C@@H](c1ccc(F)cc1O)N(C)[C@@H]1CC[NH2+]C1 ZINC000071309881 176015561 /nfs/dbraw/zinc/01/55/61/176015561.db2.gz PMPKBZHTWIAYKU-GXSJLCMTSA-N 1 0 238.306 1.886 10 10 BDCERO C[C@H]1C[N@H+](Cc2cc(N)ccc2O)CCO1 ZINC000037272212 177260184 /nfs/dbraw/zinc/26/01/84/177260184.db2.gz WNMGDILQWAGVSR-VIFPVBQESA-N 1 0 222.288 1.195 10 10 BDCERO C[C@H]1C[N@H+](Cc2ccccc2O)C[C@H]1N(C)C ZINC000251684015 177266885 /nfs/dbraw/zinc/26/68/85/177266885.db2.gz HZCUALLXAQWEGJ-WCQYABFASA-N 1 0 234.343 1.774 10 10 BDCERO Oc1ccc(F)cc1C[NH2+]CC1CC(O)C1 ZINC000236477814 323171971 /nfs/dbraw/zinc/17/19/71/323171971.db2.gz YBLFTQAIQBTAMX-UHFFFAOYSA-N 1 0 225.263 1.392 10 10 BDCERO COc1ccc(N2CCC[C@@H]([NH3+])C2)c(OC)c1 ZINC000055232341 536674113 /nfs/dbraw/zinc/67/41/13/536674113.db2.gz GBKCARSOVFTXDC-SNVBAGLBSA-N 1 0 236.315 1.631 10 10 BDCERO COc1ccc(N2CC[NH2+][C@H](C)C2)cc1F ZINC000055261686 536705362 /nfs/dbraw/zinc/70/53/62/536705362.db2.gz WMOURDOCQRWVJU-SECBINFHSA-N 1 0 224.279 1.632 10 10 BDCERO COc1ccc(N2CC[NH2+]C[C@H]2C)cc1OC ZINC000041271025 536706025 /nfs/dbraw/zinc/70/60/25/536706025.db2.gz CKOPICMTRSLGDV-SNVBAGLBSA-N 1 0 236.315 1.502 10 10 BDCERO COc1ccc(N2C[C@@H](C)[NH2+]C[C@H]2C)cc1 ZINC000071522605 536708367 /nfs/dbraw/zinc/70/83/67/536708367.db2.gz LWSNTKGYLRKNRD-GHMZBOCLSA-N 1 0 220.316 1.882 10 10 BDCERO Cc1ccc(O)c(CN2C[C@H](C)[C@H]([NH3+])C2)c1 ZINC000300050387 592501677 /nfs/dbraw/zinc/50/16/77/592501677.db2.gz ZKHSCGZQBRARRE-CMPLNLGQSA-N 1 0 220.316 1.480 10 10 BDCERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCc1ccccc1O ZINC000166201490 633108970 /nfs/dbraw/zinc/10/89/70/633108970.db2.gz XXUFWINDTMJFRH-CMPLNLGQSA-N 1 0 248.326 1.383 10 10 BDCERO CN(C)c1ccc(C[NH2+][C@@H]2C[C@H]2CO)cc1 ZINC000309475719 633137108 /nfs/dbraw/zinc/13/71/08/633137108.db2.gz RRWFVXXWYYCRJM-WCQYABFASA-N 1 0 220.316 1.223 10 10 BDCERO C[C@]1(C(=O)NCc2ccccc2O)CCCC[NH2+]1 ZINC000228422604 640874170 /nfs/dbraw/zinc/87/41/70/640874170.db2.gz ZDLVMNUIWZIPAC-CQSZACIVSA-N 1 0 248.326 1.541 10 10 BDCERO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCNC2=O)c1 ZINC000050394922 643696457 /nfs/dbraw/zinc/69/64/57/643696457.db2.gz SMJBGLWKCLSXRA-ZYHUDNBSSA-N 1 0 248.326 1.630 10 10 BDCERO C[C@@H]([NH2+]Cc1cc(F)ccc1O)[C@H](C)O ZINC000379923792 712627756 /nfs/dbraw/zinc/62/77/56/712627756.db2.gz JRJPVIGWEAVZLM-SFYZADRCSA-N 1 0 213.252 1.390 10 10 BDCERO NC(=O)C1CC([NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000716724872 712571126 /nfs/dbraw/zinc/57/11/26/712571126.db2.gz ZZJOHHPFGSZTEA-ILDUYXDCSA-N 1 0 246.310 1.233 10 10 BDCERO Cc1ccc([C@@H](C)[NH2+]C2CC(C(N)=O)C2)c(O)c1 ZINC000716731359 712571562 /nfs/dbraw/zinc/57/15/62/712571562.db2.gz MBNFLZPEEPBSGG-KPPDAEKUSA-N 1 0 248.326 1.615 10 10 BDCERO CC(C)(C)Oc1ccc(O)c([C@H]([NH3+])CN)c1 ZINC000072201131 343069658 /nfs/dbraw/zinc/06/96/58/343069658.db2.gz UTGZOBNFOFYNGD-SNVBAGLBSA-N 1 0 224.304 1.528 10 10 BDCERO CN(C(=O)C[NH+]1CCCCC1)c1ccc(N)cc1 ZINC000037272272 343143977 /nfs/dbraw/zinc/14/39/77/343143977.db2.gz BTHUVPGZNFZKAQ-UHFFFAOYSA-N 1 0 247.342 1.718 10 10 BDCERO CCOC(=O)C[C@H]([NH3+])c1ccc(O)c(O)c1 ZINC000044195761 344929701 /nfs/dbraw/zinc/92/97/01/344929701.db2.gz YQSYDPZGORYUJZ-QMMMGPOBSA-N 1 0 225.244 1.051 10 10 BDCERO CCN(CC)c1ccc([C@H]([NH3+])CCO)cc1 ZINC000044232290 344988389 /nfs/dbraw/zinc/98/83/89/344988389.db2.gz MYLNSLKCWVNCFC-CYBMUJFWSA-N 1 0 222.332 1.915 10 10 BDCERO Nc1c[nH+]ccc1NCCc1ccc(O)c(O)c1 ZINC000033648243 345807025 /nfs/dbraw/zinc/80/70/25/345807025.db2.gz LYLTXNUZBJHMEI-UHFFFAOYSA-N 1 0 245.282 1.730 10 10 BDCERO CC[C@@H](c1ccccc1O)N1CC[NH2+]CC1 ZINC000038086659 350304375 /nfs/dbraw/zinc/30/43/75/350304375.db2.gz WSOZMLKZPHPUTI-LBPRGKRZSA-N 1 0 220.316 1.749 10 10 BDCERO [NH3+]Cc1cc(Sc2nccs2)ncn1 ZINC000307057968 351457966 /nfs/dbraw/zinc/45/79/66/351457966.db2.gz ASEFTMRRFJVRTD-UHFFFAOYSA-N 1 0 224.314 1.543 10 10 BDCERO COCC[N@H+](CCc1ccc(N)cc1)C1CC1 ZINC000042517316 188293686 /nfs/dbraw/zinc/29/36/86/188293686.db2.gz RCTBSEBLFCFDEI-UHFFFAOYSA-N 1 0 234.343 1.922 10 10 BDCERO CC1(C)C[C@H]1[NH2+]Cc1ccc(O)c(O)c1 ZINC000044371238 188325955 /nfs/dbraw/zinc/32/59/55/188325955.db2.gz GQTJACWQKNBFJD-LLVKDONJSA-N 1 0 207.273 1.986 10 10 BDCERO CC1(C)C[C@@H]1[NH2+]Cc1cccc(O)c1O ZINC000045118029 188326418 /nfs/dbraw/zinc/32/64/18/188326418.db2.gz RSUNWIMWKBUMEK-JTQLQIEISA-N 1 0 207.273 1.986 10 10 BDCERO CC(=O)Nc1cc(C)c2c(c1O)[C@H]([NH3+])CC2 ZINC000026170119 188357327 /nfs/dbraw/zinc/35/73/27/188357327.db2.gz AIXAKHNNFNDOCG-SECBINFHSA-N 1 0 220.272 1.605 10 10 BDCERO Oc1ccc(-c2noc([C@@H]3CCC[NH2+]3)n2)cc1O ZINC000096880760 183266219 /nfs/dbraw/zinc/26/62/19/183266219.db2.gz BCCPLMOOPUYPMI-QMMMGPOBSA-N 1 0 247.254 1.572 10 10 BDCERO Oc1ccc(C[NH2+]C[C@@H]2CCOC2)cc1O ZINC000037737985 183270274 /nfs/dbraw/zinc/27/02/74/183270274.db2.gz CKDDUUDIYVGQMP-JTQLQIEISA-N 1 0 223.272 1.224 10 10 BDCERO Oc1ccc(C[NH2+]C[C@@H]2CCCCO2)c(O)c1 ZINC000042811965 183270658 /nfs/dbraw/zinc/27/06/58/183270658.db2.gz VBPQDFPEJJKWEI-LBPRGKRZSA-N 1 0 237.299 1.757 10 10 BDCERO Oc1cc2c(cc1O)[C@H]1C[NH2+]CC[C@@H]1CC2 ZINC000027557125 183262574 /nfs/dbraw/zinc/26/25/74/183262574.db2.gz ZNJGHPNNTLGWNL-KWQFWETISA-N 1 0 219.284 1.737 10 10 BDCERO CCCN(Cc1ccc(N(C)C)cc1)C(=O)C[NH3+] ZINC000076635880 169176257 /nfs/dbraw/zinc/17/62/57/169176257.db2.gz KIFPIPZPTWYJDK-UHFFFAOYSA-N 1 0 249.358 1.450 10 10 BDCERO Oc1cccc(C[NH2+]Cc2ccncc2)c1O ZINC000041116629 183292113 /nfs/dbraw/zinc/29/21/13/183292113.db2.gz MRKHEXHGQMCWSH-UHFFFAOYSA-N 1 0 230.267 1.783 10 10 BDCERO CCCNC(=O)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000035134109 169227999 /nfs/dbraw/zinc/22/79/99/169227999.db2.gz ZBCWZPJZYMIQSW-UHFFFAOYSA-N 1 0 249.358 1.368 10 10 BDCERO CCC[NH2+][C@@H](CN)c1ccc2c(c1)CCN2C ZINC000050287365 169279851 /nfs/dbraw/zinc/27/98/51/169279851.db2.gz VTEKMQNSVJBEMS-ZDUSSCGKSA-N 1 0 233.359 1.678 10 10 BDCERO C[C@@H]1OCC[C@H]1[NH2+]Cc1ccccc1O ZINC000120830126 385433984 /nfs/dbraw/zinc/43/39/84/385433984.db2.gz VEKKZVDOIXVHDV-GXSJLCMTSA-N 1 0 207.273 1.659 10 10 BDCERO C[C@H]1CN(c2ccc(C[NH3+])cc2F)CCO1 ZINC000020469609 132331690 /nfs/dbraw/zinc/33/16/90/132331690.db2.gz JTONQNLUIPAYRS-VIFPVBQESA-N 1 0 224.279 1.510 10 10 BDCERO NC(=O)CC1CCN(c2ccc(C[NH3+])cc2)CC1 ZINC000042427031 132352040 /nfs/dbraw/zinc/35/20/40/132352040.db2.gz CWTMJKHJAGZXBN-UHFFFAOYSA-N 1 0 247.342 1.237 10 10 BDCERO CC1(C)COCCN1c1ccc(C[NH3+])cc1 ZINC000042461137 132352290 /nfs/dbraw/zinc/35/22/90/132352290.db2.gz AMOBBPISFNSMJX-UHFFFAOYSA-N 1 0 220.316 1.761 10 10 BDCERO [NH3+]C[C@H]1CCCCc2cc(O)c(O)cc21 ZINC000029210847 397992298 /nfs/dbraw/zinc/99/22/98/397992298.db2.gz YPDLZHNGKVTJGE-SECBINFHSA-N 1 0 207.273 1.867 10 10 BDCERO CC(C)[NH2+][C@@H](C(N)=O)c1ccc(N(C)C)cc1 ZINC000037943552 167131104 /nfs/dbraw/zinc/13/11/04/167131104.db2.gz HQGRHMUZQRHLNO-GFCCVEGCSA-N 1 0 235.331 1.277 10 10 BDCERO CCN(CCn1cccn1)c1ccc(C[NH3+])cc1 ZINC000049313920 169878049 /nfs/dbraw/zinc/87/80/49/169878049.db2.gz ZKVKHWFOVQWGRF-UHFFFAOYSA-N 1 0 244.342 1.868 10 10 BDCERO CC[C@@H]1C[N@H+](Cc2cc(N)ccc2O)CCO1 ZINC000036768930 171088851 /nfs/dbraw/zinc/08/88/51/171088851.db2.gz QSGMDGUDFWNDCK-GFCCVEGCSA-N 1 0 236.315 1.585 10 10 BDCERO CN1CCC[N@H+](Cc2ccc(N)cc2)CC1 ZINC000020217473 173018282 /nfs/dbraw/zinc/01/82/82/173018282.db2.gz UPWDVFKIHUNUFG-UHFFFAOYSA-N 1 0 219.332 1.406 10 10 BDCERO C[N@@H+]1CC[C@H](NC(=O)CCc2ccc(N)cc2)C1 ZINC000042543641 173149919 /nfs/dbraw/zinc/14/99/19/173149919.db2.gz HENCZMSKNKXBFE-ZDUSSCGKSA-N 1 0 247.342 1.022 10 10 BDCERO CN1CCc2cc(CN3CC[NH2+]CC3)ccc21 ZINC000050287730 173169364 /nfs/dbraw/zinc/16/93/64/173169364.db2.gz UJHSBKVNRLDXKR-UHFFFAOYSA-N 1 0 231.343 1.084 10 10 BDCERO C[NH2+]CCN(C)c1cc(OC)c(OC)cc1C ZINC000107291301 173354010 /nfs/dbraw/zinc/35/40/10/173354010.db2.gz NUQDUGWBUKHCAY-UHFFFAOYSA-N 1 0 238.331 1.668 10 10 BDCERO C[NH2+]Cc1ccc(N2CC[C@H](O)C2)c(C)c1 ZINC000061711138 173388761 /nfs/dbraw/zinc/38/87/61/173388761.db2.gz PGAKSAJTDYLUQQ-LBPRGKRZSA-N 1 0 220.316 1.285 10 10 BDCERO CO[C@@H]1CCC[C@H]1[NH2+]CCc1ccc(N)cc1 ZINC000050375596 174753711 /nfs/dbraw/zinc/75/37/11/174753711.db2.gz BULBGQZZEJLCIC-ZIAGYGMSSA-N 1 0 234.343 1.968 10 10 BDCERO COc1cc2c(c(O)c1OC)[C@H](C)[NH2+]CC2 ZINC000003642676 175019450 /nfs/dbraw/zinc/01/94/50/175019450.db2.gz PRNZAMQMBOFSJY-ZETCQYMHSA-N 1 0 223.272 1.616 10 10 in-vitro BDCERO COc1cccc(C[NH2+]CCc2c[nH]cn2)c1O ZINC000083376913 175264169 /nfs/dbraw/zinc/26/41/69/175264169.db2.gz UMBHCYTUQMUOFW-UHFFFAOYSA-N 1 0 247.298 1.456 10 10 BDCERO C[C@@H](c1cc(O)ccc1O)N1CC[NH2+]CC1 ZINC000038086611 176012799 /nfs/dbraw/zinc/01/27/99/176012799.db2.gz OAVIAEDIEKRJCJ-VIFPVBQESA-N 1 0 222.288 1.064 10 10 BDCERO C[C@@H](c1ccc(F)cc1O)N(C)CC[NH3+] ZINC000062749324 176015142 /nfs/dbraw/zinc/01/51/42/176015142.db2.gz WQJUXESGJPZASU-QMMMGPOBSA-N 1 0 212.268 1.483 10 10 BDCERO C[C@@H](c1ccc(F)cc1O)N1CC[NH2+]CC1 ZINC000062749205 176016200 /nfs/dbraw/zinc/01/62/00/176016200.db2.gz RWWBJAQKGZYFQR-VIFPVBQESA-N 1 0 224.279 1.498 10 10 BDCERO C[C@@H]1CCC[N@@H+]1Cc1cc(N)ccc1O ZINC000037909969 176107986 /nfs/dbraw/zinc/10/79/86/176107986.db2.gz ABPJJMDRTABGMJ-SECBINFHSA-N 1 0 206.289 1.959 10 10 BDCERO C[C@@H]1C[N@H+](CCc2ccc(N)cc2)CCO1 ZINC000020072081 176293720 /nfs/dbraw/zinc/29/37/20/176293720.db2.gz AMZMWUCLBQAXSV-LLVKDONJSA-N 1 0 220.316 1.532 10 10 BDCERO CN1CCCc2cc(Cn3cc[nH+]c3N)ccc21 ZINC000050286172 536397023 /nfs/dbraw/zinc/39/70/23/536397023.db2.gz ISKSQGPHZDEVBV-UHFFFAOYSA-N 1 0 242.326 1.896 10 10 BDCERO C[C@@H]1CN(Cc2c(O)cccc2Cl)C[C@@H]1[NH3+] ZINC000235340566 632674244 /nfs/dbraw/zinc/67/42/44/632674244.db2.gz ROEUHOPQVGYQPW-KCJUWKMLSA-N 1 0 240.734 1.825 10 10 BDCERO C[C@@H]1CN(Cc2cc(Cl)ccc2O)C[C@@H]1[NH3+] ZINC000235345481 632674844 /nfs/dbraw/zinc/67/48/44/632674844.db2.gz FJIKTTBFKNAXJO-KCJUWKMLSA-N 1 0 240.734 1.825 10 10 BDCERO C[C@H]1CN(Cc2cc(F)ccc2O)C[C@@H]1[NH3+] ZINC000235639593 632806755 /nfs/dbraw/zinc/80/67/55/632806755.db2.gz ZDRICQJKBPTZCJ-KWQFWETISA-N 1 0 224.279 1.310 10 10 BDCERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCc1ccccc1O ZINC000166201611 633108511 /nfs/dbraw/zinc/10/85/11/633108511.db2.gz XXUFWINDTMJFRH-JQWIXIFHSA-N 1 0 248.326 1.383 10 10 BDCERO C[C@@H](O)[C@@H](C)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000309953944 633976316 /nfs/dbraw/zinc/97/63/16/633976316.db2.gz HKNMGMYMNZKRDP-HRDYMLBCSA-N 1 0 227.279 1.951 10 10 BDCERO C[C@H]1CN(Cc2ccc(N(C)C)cc2)C[C@@H]1[NH3+] ZINC000235658853 635584026 /nfs/dbraw/zinc/58/40/26/635584026.db2.gz LBKIXPNWTVAPAT-FZMZJTMJSA-N 1 0 233.359 1.532 10 10 BDCERO [NH3+][C@H]1CC[C@H](C(=O)NCc2ccccc2O)C1 ZINC000228421210 640873764 /nfs/dbraw/zinc/87/37/64/640873764.db2.gz BKDKCHDZSNYDHE-ONGXEEELSA-N 1 0 234.299 1.136 10 10 BDCERO C[C@H]([NH2+][C@@H](C)c1ccccc1O)c1cn(C)nn1 ZINC000720596185 712856387 /nfs/dbraw/zinc/85/63/87/712856387.db2.gz PUXWYMGWLDRHMJ-UWVGGRQHSA-N 1 0 246.314 1.933 10 10 BDCERO [NH3+][C@H](CO)c1cc(OC(F)(F)F)ccc1O ZINC000072198804 343068567 /nfs/dbraw/zinc/06/85/67/343068567.db2.gz JJTSXUIZRMJRJY-SSDOTTSWSA-N 1 0 237.177 1.283 10 10 BDCERO CC[NH+](CC)C[C@@H](O)COc1ccc(N)cc1 ZINC000036669828 343143072 /nfs/dbraw/zinc/14/30/72/343143072.db2.gz XTYITLXEIZAUEY-GFCCVEGCSA-N 1 0 238.331 1.350 10 10 BDCERO CCO[C@H](c1ccc(O)c(O)c1)[C@@H](C)[NH3+] ZINC000039100436 343383501 /nfs/dbraw/zinc/38/35/01/343383501.db2.gz LGHHPMLYUUFKNB-HQJQHLMTSA-N 1 0 211.261 1.523 10 10 BDCERO CCOC(=O)C(=[N+]=N)c1nc2ccccc2s1 ZINC000096833164 343906104 /nfs/dbraw/zinc/90/61/04/343906104.db2.gz JHSOMHGWRJWDRT-UHFFFAOYSA-N 1 0 248.287 1.888 10 10 BDCERO CN(C)c1ccc([C@H](N)C[NH3+])c(Cl)c1 ZINC000044469483 345084843 /nfs/dbraw/zinc/08/48/43/345084843.db2.gz PHPMFNRJIHCCBI-SNVBAGLBSA-N 1 0 213.712 1.365 10 10 BDCERO Cc1cc(Cl)cc([C@@H]([NH3+])CO)c1O ZINC000072197904 191004273 /nfs/dbraw/zinc/00/42/73/191004273.db2.gz OWYHDJVYSFANOO-QMMMGPOBSA-N 1 0 201.653 1.346 10 10 BDCERO Nc1ccc(Br)c([C@H]2CC[NH2+]2)c1O ZINC000306872912 351267725 /nfs/dbraw/zinc/26/77/25/351267725.db2.gz WGVQKOJARODVFJ-SSDOTTSWSA-N 1 0 243.104 1.771 10 10 BDCERO Cc1ccc(O)c(C[NH2+]CCN(C)C)c1 ZINC000070954461 188287566 /nfs/dbraw/zinc/28/75/66/188287566.db2.gz ICRLMUQJLHZYKY-UHFFFAOYSA-N 1 0 208.305 1.352 10 10 BDCERO C[C@H]1CC[C@@](O)(c2ccc(O)c(O)c2)C[NH2+]1 ZINC000039098577 188291238 /nfs/dbraw/zinc/29/12/38/188291238.db2.gz VPBMQQBMXMSLNK-UFBFGSQYSA-N 1 0 223.272 1.057 10 10 BDCERO COc1ccc(C[NH2+]CC2CC2)c(O)c1 ZINC000040905612 188292518 /nfs/dbraw/zinc/29/25/18/188292518.db2.gz OGPUILKGECLPDZ-UHFFFAOYSA-N 1 0 207.273 1.900 10 10 BDCERO CC(=O)[C@H]([NH3+])c1ccc2[nH]ccc2c1O ZINC000089204409 188317708 /nfs/dbraw/zinc/31/77/08/188317708.db2.gz SNJUCRWMABLWGU-JTQLQIEISA-N 1 0 204.229 1.462 10 10 BDCERO C[NH+]1CC2=C(CN(c3ccc(N)cc3)C2)C1 ZINC000096308280 188364722 /nfs/dbraw/zinc/36/47/22/188364722.db2.gz XOFBUKVCBQJDKI-UHFFFAOYSA-N 1 0 215.300 1.331 10 10 BDCERO CC(C)[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)C(N)=O ZINC000223958548 538594197 /nfs/dbraw/zinc/59/41/97/538594197.db2.gz HEUUDRZXPAUZJN-CYBMUJFWSA-N 1 0 249.358 1.352 10 10 BDCERO CN(OCC=Cc1ccccc1)C(=O)C[N+]#N ZINC000584610142 358272653 /nfs/dbraw/zinc/27/26/53/358272653.db2.gz LXZGFCVRHBJOQD-VMPITWQZSA-N 1 0 231.255 1.390 10 10 BDCERO COC[C@@H](C)[NH2+]Cc1ccc2c(c1)CCN2C ZINC000050285817 358722054 /nfs/dbraw/zinc/72/20/54/358722054.db2.gz PHFDNHHZUJIMPC-LLVKDONJSA-N 1 0 234.343 1.803 10 10 BDCERO [NH3+]CC[C@H]([NH3+])c1ccc(F)c(Cl)c1[O-] ZINC000306611079 360793313 /nfs/dbraw/zinc/79/33/13/360793313.db2.gz LMHLLRCRDLHTGJ-ZETCQYMHSA-N 1 0 218.659 1.533 10 10 BDCERO Oc1ccc(C[NH2+]C[C@@H]2CCCOC2)c(O)c1 ZINC000038044204 183270039 /nfs/dbraw/zinc/27/00/39/183270039.db2.gz YOXNAVUWKMKBGC-JTQLQIEISA-N 1 0 237.299 1.614 10 10 BDCERO Oc1ccc(C[NH2+][C@@H]2CN3CCC2CC3)cc1O ZINC000019946327 183270045 /nfs/dbraw/zinc/27/00/45/183270045.db2.gz UDDWMDAHENZELZ-GFCCVEGCSA-N 1 0 248.326 1.282 10 10 BDCERO Oc1ccc(C[NH2+]C[C@@H]2CCCCO2)cc1O ZINC000042811870 183270846 /nfs/dbraw/zinc/27/08/46/183270846.db2.gz AKGOFFYWJMUHFT-NSHDSACASA-N 1 0 237.299 1.757 10 10 BDCERO CCC[NH2+]Cc1ccc(N2CC[C@H](O)C2)cc1 ZINC000061711233 169267187 /nfs/dbraw/zinc/26/71/87/169267187.db2.gz ZDIVRZSRGYBGKW-AWEZNQCLSA-N 1 0 234.343 1.757 10 10 BDCERO C[C@@]([NH3+])(CO)c1ccc2[nH]ccc2c1O ZINC000089204364 383945719 /nfs/dbraw/zinc/94/57/19/383945719.db2.gz GJUFPUUUPNMXOS-LLVKDONJSA-N 1 0 206.245 1.040 10 10 BDCERO C[N@H+]1CC=C(c2ccc(O)c(O)c2)CC1 ZINC000005966264 384140143 /nfs/dbraw/zinc/14/01/43/384140143.db2.gz STKXSZGYJMADCX-UHFFFAOYSA-N 1 0 205.257 1.817 10 10 BDCERO [NH3+][C@H](CO)c1cc(Br)ccc1O ZINC000072198710 384814907 /nfs/dbraw/zinc/81/49/07/384814907.db2.gz PVTGUMYIFWPGRK-SSDOTTSWSA-N 1 0 232.077 1.147 10 10 BDCERO C[NH+](C)C[C@H]1OCc2c1ccc(O)c2O ZINC000029485516 385000152 /nfs/dbraw/zinc/00/01/52/385000152.db2.gz UIMQDIGDCIXDIY-SNVBAGLBSA-N 1 0 209.245 1.231 10 10 BDCERO [NH3+]C1CCN(c2ccc3c(c2)OCO3)CC1 ZINC000019966557 132329086 /nfs/dbraw/zinc/32/90/86/132329086.db2.gz KZRPWVKBSWCQSA-UHFFFAOYSA-N 1 0 220.272 1.343 10 10 BDCERO C[C@@H]([NH3+])c1ccc(N2CCOC[C@@H]2C)cc1 ZINC000035776802 132339421 /nfs/dbraw/zinc/33/94/21/132339421.db2.gz APIIFDHCBYBINA-WDEREUQCSA-N 1 0 220.316 1.931 10 10 BDCERO NC(=O)C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000020083224 132329939 /nfs/dbraw/zinc/32/99/39/132329939.db2.gz VFGQRTZBBIVPOY-UHFFFAOYSA-N 1 0 247.342 1.252 10 10 BDCERO C[C@H]1CN(c2ccc3c(c2)OCO3)CC[C@@H]1[NH3+] ZINC000049709984 132357536 /nfs/dbraw/zinc/35/75/36/132357536.db2.gz SNNWUTOQQXZGIP-ONGXEEELSA-N 1 0 234.299 1.589 10 10 BDCERO [NH3+]Cc1ccc(N2CCn3ccnc3C2)c(F)c1 ZINC000062245223 132387375 /nfs/dbraw/zinc/38/73/75/132387375.db2.gz QAXJYTHIIOMFOF-UHFFFAOYSA-N 1 0 246.289 1.501 10 10 BDCERO C[C@@H]1CN(c2ccc3c(c2)OCCO3)[C@H](C)C[NH2+]1 ZINC000071563049 132394569 /nfs/dbraw/zinc/39/45/69/132394569.db2.gz LUOICCLNQZTTCS-GHMZBOCLSA-N 1 0 248.326 1.644 10 10 BDCERO CC(C)[NH2+]C[C@@H]1OCc2c1ccc(O)c2O ZINC000039098607 167113390 /nfs/dbraw/zinc/11/33/90/167113390.db2.gz ZYUHGMPNKZHOSE-NSHDSACASA-N 1 0 223.272 1.667 10 10 BDCERO CC[NH2+][C@H]1c2ccc(N(C)C)cc2NC1=O ZINC000036194232 170150010 /nfs/dbraw/zinc/15/00/10/170150010.db2.gz OXADYKRBQWCXLC-NSHDSACASA-N 1 0 219.288 1.355 10 10 BDCERO CC[NH2+][C@@H]1c2ccc(N3CCCC3)cc2NC1=O ZINC000102452159 170165689 /nfs/dbraw/zinc/16/56/89/170165689.db2.gz VVRSXEHLOGCSPL-CYBMUJFWSA-N 1 0 245.326 1.890 10 10 BDCERO CCOC(=O)CC[NH2+]Cc1ccc(O)cc1O ZINC000045686370 170209127 /nfs/dbraw/zinc/20/91/27/170209127.db2.gz JGQRYIGVPGCEHB-UHFFFAOYSA-N 1 0 239.271 1.141 10 10 BDCERO C[N@@H+]1CCC[C@H]1Cc1ccc(O)c(O)c1 ZINC000045803106 173059216 /nfs/dbraw/zinc/05/92/16/173059216.db2.gz KBAHPTQLJDXGFC-JTQLQIEISA-N 1 0 207.273 1.735 10 10 BDCERO C[NH2+]Cc1cc(F)c(N(C)C[C@H](C)O)c(F)c1 ZINC000062719045 173386960 /nfs/dbraw/zinc/38/69/60/173386960.db2.gz JRNQBWQRIRHQBE-QMMMGPOBSA-N 1 0 244.285 1.501 10 10 BDCERO C[NH2+]Cc1ccc(N2CCCOCC2)cc1 ZINC000061920259 173389080 /nfs/dbraw/zinc/38/90/80/173389080.db2.gz PGIGQNSXFSOCOT-UHFFFAOYSA-N 1 0 220.316 1.633 10 10 BDCERO COC(=O)CC[NH2+]Cc1cc(OC)ccc1O ZINC000034961180 173562933 /nfs/dbraw/zinc/56/29/33/173562933.db2.gz GDECRGNLXXTTGN-UHFFFAOYSA-N 1 0 239.271 1.054 10 10 BDCERO COc1cc2c(c(O)c1OC)[C@H](C)[N@H+](C)CC2 ZINC000005752362 175019515 /nfs/dbraw/zinc/01/95/15/175019515.db2.gz NKHMWHLJHODBEP-QMMMGPOBSA-N 1 0 237.299 1.958 10 10 BDCERO COc1ccc(N2CC[C@@H](C[NH3+])C2)cc1F ZINC000037290787 175139506 /nfs/dbraw/zinc/13/95/06/175139506.db2.gz QFFGCKPNOVNCOP-VIFPVBQESA-N 1 0 224.279 1.619 10 10 BDCERO COc1ccc(O)c(C[NH2+]CCN(C)C)c1 ZINC000020083768 175158632 /nfs/dbraw/zinc/15/86/32/175158632.db2.gz CEXKJONMANECMR-UHFFFAOYSA-N 1 0 224.304 1.052 10 10 BDCERO C[C@@H](c1cc(O)ccc1O)N(C)CC[NH3+] ZINC000054416680 176013383 /nfs/dbraw/zinc/01/33/83/176013383.db2.gz PQMIVHDXRKJFLM-QMMMGPOBSA-N 1 0 210.277 1.049 10 10 BDCERO C[C@@H](c1ccccc1O)N(C)C(=O)CC[NH3+] ZINC000037826507 176024507 /nfs/dbraw/zinc/02/45/07/176024507.db2.gz AEWCAIRTSBRTCL-VIFPVBQESA-N 1 0 222.288 1.260 10 10 BDCERO C[C@@H](c1ccccc1O)N(C)C(=O)[C@@H]1CCC[NH2+]1 ZINC000037826475 176024554 /nfs/dbraw/zinc/02/45/54/176024554.db2.gz PQYIKIRTMOXUBY-JQWIXIFHSA-N 1 0 248.326 1.664 10 10 BDCERO C[C@@H]1CCC[C@@H]([C@H](O)c2ccc(O)c(O)c2)[NH2+]1 ZINC000005763591 176124989 /nfs/dbraw/zinc/12/49/89/176124989.db2.gz LNDIFIOMHLZIGF-DFAYQTQMSA-N 1 0 237.299 1.662 10 10 BDCERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)Cc1ccccc1O ZINC000104207938 176329655 /nfs/dbraw/zinc/32/96/55/176329655.db2.gz NTGLCUVTNDRKRK-ZYHUDNBSSA-N 1 0 248.326 1.206 10 10 BDCERO C[C@H](c1ccccc1O)N(C)C(=O)C[NH2+]C1CC1 ZINC000037826556 177043116 /nfs/dbraw/zinc/04/31/16/177043116.db2.gz HKFMETMLPCCSRZ-SNVBAGLBSA-N 1 0 248.326 1.664 10 10 BDCERO CCOc1ccc(N2CC[NH2+]CC2)c(C)c1 ZINC000039098830 535735326 /nfs/dbraw/zinc/73/53/26/535735326.db2.gz DRWAHAXPWKKZEO-UHFFFAOYSA-N 1 0 220.316 1.803 10 10 BDCERO CC(C)[C@H]([NH3+])CC(=O)NCc1ccccc1O ZINC000228422496 640873956 /nfs/dbraw/zinc/87/39/56/640873956.db2.gz IOTSMECTPRYEKF-LLVKDONJSA-N 1 0 236.315 1.382 10 10 BDCERO C[C@@H](O)[C@H](C)[NH2+]Cc1cc(F)ccc1O ZINC000379923790 712627731 /nfs/dbraw/zinc/62/77/31/712627731.db2.gz JRJPVIGWEAVZLM-JGVFFNPUSA-N 1 0 213.252 1.390 10 10 BDCERO Oc1cc2c(cc1C[NH2+][C@H]1CC13CC3)OCO2 ZINC000715364785 712521835 /nfs/dbraw/zinc/52/18/35/712521835.db2.gz PPTLJRAVOAAPIY-LBPRGKRZSA-N 1 0 233.267 1.763 10 10 BDCERO C[C@@H]([NH2+]Cc1ccccc1O)c1cn(C)nn1 ZINC000715857412 712537010 /nfs/dbraw/zinc/53/70/10/712537010.db2.gz IVNWXDPRTUOIMR-SECBINFHSA-N 1 0 232.287 1.372 10 10 BDCERO Cc1cc(Cl)c(C)c([C@@H]([NH3+])CN)c1O ZINC000072200886 178060300 /nfs/dbraw/zinc/06/03/00/178060300.db2.gz HIIQLVXFUHXFNY-QMMMGPOBSA-N 1 0 214.696 1.621 10 10 BDCERO Cc1cc(O)c([C@@H]([NH3+])CO)cc1Br ZINC000072199015 178196589 /nfs/dbraw/zinc/19/65/89/178196589.db2.gz SONNOLYFBSGPGV-QMMMGPOBSA-N 1 0 246.104 1.455 10 10 BDCERO C[C@@H](O)[C@@H]1CCC[N@@H+]1Cc1ccc(N)cc1 ZINC000146681359 342771530 /nfs/dbraw/zinc/77/15/30/342771530.db2.gz IZPOHWUZLKPKQN-MFKMUULPSA-N 1 0 220.316 1.614 10 10 BDCERO CC(C)(C)Oc1ccc(O)c([C@@H]([NH3+])CO)c1 ZINC000072198564 343069197 /nfs/dbraw/zinc/06/91/97/343069197.db2.gz RDUSZPGNBMMGMG-JTQLQIEISA-N 1 0 225.288 1.562 10 10 BDCERO C[NH+]1CCC(NC(=O)Nc2ccc(N)cc2)CC1 ZINC000035408210 343296008 /nfs/dbraw/zinc/29/60/08/343296008.db2.gz RNHHPMHQVDPOQX-UHFFFAOYSA-N 1 0 248.330 1.485 10 10 BDCERO CCOc1cccc([C@@H]([NH3+])CCO)c1O ZINC000044232110 344987754 /nfs/dbraw/zinc/98/77/54/344987754.db2.gz GJVQDIPSUPYYEZ-VIFPVBQESA-N 1 0 211.261 1.173 10 10 BDCERO CCN(CC)c1ccc([C@@H]([NH3+])CCO)cc1 ZINC000044232294 344988141 /nfs/dbraw/zinc/98/81/41/344988141.db2.gz MYLNSLKCWVNCFC-ZDUSSCGKSA-N 1 0 222.332 1.915 10 10 BDCERO Oc1cccc2c1[C@H]([NH2+]CC1CC(O)C1)CC2 ZINC000380213112 347145321 /nfs/dbraw/zinc/14/53/21/347145321.db2.gz IMZKOUDRTPHHKO-QEWOUOOISA-N 1 0 233.311 1.740 10 10 BDCERO CC1=CNC=[NH+][C@H]1c1ccc(O)c(O)c1 ZINC000100250289 191062803 /nfs/dbraw/zinc/06/28/03/191062803.db2.gz LHQWWISEKZLDNE-LLVKDONJSA-N 1 0 204.229 1.674 10 10 BDCERO Cc1nc2c(ccc(O)c2C[NH+](C)C)n1C ZINC000230463981 350602855 /nfs/dbraw/zinc/60/28/55/350602855.db2.gz GLNGEWZHEVFJIO-UHFFFAOYSA-N 1 0 219.288 1.649 10 10 BDCERO CC(C)[C@H]([NH2+]Cc1ccc(N(C)C)cc1)C(N)=O ZINC000223958599 538594865 /nfs/dbraw/zinc/59/48/65/538594865.db2.gz HEUUDRZXPAUZJN-ZDUSSCGKSA-N 1 0 249.358 1.352 10 10 BDCERO COC(=O)C(Cc1ccc(Cl)cc1)[N+]#N ZINC000584606804 358266554 /nfs/dbraw/zinc/26/65/54/358266554.db2.gz VQFHKDQECHBWQC-UHFFFAOYSA-N 1 0 224.647 1.726 10 10 BDCERO [NH3+]CCCc1nc(-c2ccc(O)c(O)c2)no1 ZINC000083107701 181387304 /nfs/dbraw/zinc/38/73/04/181387304.db2.gz RQEGPJQFLQAVAA-UHFFFAOYSA-N 1 0 235.243 1.039 10 10 BDCERO [NH3+]CCNCc1cc(Cl)ccc1O ZINC000037712464 181397675 /nfs/dbraw/zinc/39/76/75/181397675.db2.gz JUYCWIJWFDUTJR-UHFFFAOYSA-N 1 0 200.669 1.094 10 10 BDCERO [NH3+]CCc1ccc(O)c(O)c1-c1ccc(O)cc1 ZINC000029557762 181411984 /nfs/dbraw/zinc/41/19/84/181411984.db2.gz AHHHSPLFRASFOU-UHFFFAOYSA-N 1 0 245.278 1.972 10 10 in-vivo BDCERO [NH3+]Cc1ccc(N2CCC(O)CC2)cc1Cl ZINC000061845518 181483568 /nfs/dbraw/zinc/48/35/68/181483568.db2.gz YDIFTWXPCQVWBS-UHFFFAOYSA-N 1 0 240.734 1.760 10 10 BDCERO [NH3+][C@H](CO)c1ccc(N2CCCC2)cc1 ZINC000072198024 181621065 /nfs/dbraw/zinc/62/10/65/181621065.db2.gz JBVRFPVUUUJYTP-GFCCVEGCSA-N 1 0 206.289 1.279 10 10 BDCERO CCC[NH2+]Cc1ccc(N(C)CCO)c(F)c1 ZINC000037899523 169266577 /nfs/dbraw/zinc/26/65/77/169266577.db2.gz FDMPIWZAZMYGCK-UHFFFAOYSA-N 1 0 240.322 1.754 10 10 BDCERO CCC[NH2+][C@H]1c2ccc(N(C)C)cc2NC1=O ZINC000036194241 169280630 /nfs/dbraw/zinc/28/06/30/169280630.db2.gz RAMDOGNXYWXAAY-LBPRGKRZSA-N 1 0 233.315 1.745 10 10 BDCERO C[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C)c1ccccc1O ZINC000282436662 384276441 /nfs/dbraw/zinc/27/64/41/384276441.db2.gz UGZZXMFPXGMMNM-UMNHJUIQSA-N 1 0 248.326 1.710 10 10 BDCERO [NH3+][C@@H](CO)c1cc(Br)ccc1O ZINC000072198711 384814069 /nfs/dbraw/zinc/81/40/69/384814069.db2.gz PVTGUMYIFWPGRK-ZETCQYMHSA-N 1 0 232.077 1.147 10 10 BDCERO COc1ccc2c(c1)C1(CN2C)CC[NH2+]CC1 ZINC000084784733 384898577 /nfs/dbraw/zinc/89/85/77/384898577.db2.gz LIYQDLHEIUVQAB-UHFFFAOYSA-N 1 0 232.327 1.766 10 10 BDCERO C[C@H]1OCC[C@H]1[NH2+]Cc1ccccc1O ZINC000120829984 385435493 /nfs/dbraw/zinc/43/54/93/385435493.db2.gz VEKKZVDOIXVHDV-MWLCHTKSSA-N 1 0 207.273 1.659 10 10 BDCERO [NH3+][C@@H](CC(F)F)c1ccc(O)cc1O ZINC000575439909 387125255 /nfs/dbraw/zinc/12/52/55/387125255.db2.gz XVOBQCJCQCRBDP-ZETCQYMHSA-N 1 0 203.188 1.753 10 10 BDCERO CC[C@@H]1CN(c2ccc(OC)cc2)CC[NH2+]1 ZINC000016944798 132323664 /nfs/dbraw/zinc/32/36/64/132323664.db2.gz MHROIRXPXHVULG-LLVKDONJSA-N 1 0 220.316 1.883 10 10 BDCERO [NH3+]Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC000062792792 132388857 /nfs/dbraw/zinc/38/88/57/132388857.db2.gz AWQKBRSDAJPJFY-UHFFFAOYSA-N 1 0 226.707 1.635 10 10 BDCERO Nc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000011756065 132320505 /nfs/dbraw/zinc/32/05/05/132320505.db2.gz XKRBQRAKPNGUGG-UHFFFAOYSA-N 1 0 231.343 1.801 10 10 BDCERO [NH3+]Cc1ccc(N2CCCC[C@@H]2CCO)cc1 ZINC000019865456 132327877 /nfs/dbraw/zinc/32/78/77/132327877.db2.gz DVPNPNFVBDSYIN-CYBMUJFWSA-N 1 0 234.343 1.887 10 10 BDCERO C[C@@H]([NH3+])c1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000019871922 132328262 /nfs/dbraw/zinc/32/82/62/132328262.db2.gz GBMSNGYZZBJNHI-ZYHUDNBSSA-N 1 0 247.342 1.408 10 10 BDCERO CC(=O)N1CCN(c2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000019872486 132328464 /nfs/dbraw/zinc/32/84/64/132328464.db2.gz BXFVVARSGJGBQF-NSHDSACASA-N 1 0 247.342 1.375 10 10 BDCERO C[C@@H]1CC[C@H](C(N)=O)CN1c1ccc(C[NH3+])cc1 ZINC000042427014 132352043 /nfs/dbraw/zinc/35/20/43/132352043.db2.gz FKBKRENTJUZILD-PWSUYJOCSA-N 1 0 247.342 1.236 10 10 BDCERO C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1C ZINC000050581458 132359321 /nfs/dbraw/zinc/35/93/21/132359321.db2.gz SBNIMRIECJZMCJ-UHFFFAOYSA-N 1 0 234.343 1.676 10 10 BDCERO COc1ccc(N2C[C@H](C)[NH2+]C[C@H]2C)cc1 ZINC000071522607 132392686 /nfs/dbraw/zinc/39/26/86/132392686.db2.gz LWSNTKGYLRKNRD-WDEREUQCSA-N 1 0 220.316 1.882 10 10 BDCERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCCc1ccc(N)cc1 ZINC000262577730 135306132 /nfs/dbraw/zinc/30/61/32/135306132.db2.gz LOKCQGZNNVAHCR-GXFFZTMASA-N 1 0 249.358 1.301 10 10 BDCERO CCOC(=O)CC[NH2+]Cc1cc(F)ccc1O ZINC000083369139 170209303 /nfs/dbraw/zinc/20/93/03/170209303.db2.gz HGOUTWRXOUJVFV-UHFFFAOYSA-N 1 0 241.262 1.574 10 10 BDCERO CN(CC1CC1)c1ccc2c(c1)NC(=O)[C@@H]2[NH3+] ZINC000037925697 172652114 /nfs/dbraw/zinc/65/21/14/172652114.db2.gz HHMYUICGBAGRJO-GFCCVEGCSA-N 1 0 231.299 1.485 10 10 BDCERO CN(C[C@H]1CCOC1)c1ccc(C[NH3+])cc1 ZINC000041045977 172835269 /nfs/dbraw/zinc/83/52/69/172835269.db2.gz WKOKDZSMBFAOEA-GFCCVEGCSA-N 1 0 220.316 1.618 10 10 BDCERO C[N@@H+]1CCC[C@@H]1Cc1ccc(O)c(O)c1 ZINC000045803104 173033769 /nfs/dbraw/zinc/03/37/69/173033769.db2.gz KBAHPTQLJDXGFC-SNVBAGLBSA-N 1 0 207.273 1.735 10 10 BDCERO CNC(=O)[C@@H](C)[NH2+][C@H](C)c1cc(C)ccc1O ZINC000042561418 173295849 /nfs/dbraw/zinc/29/58/49/173295849.db2.gz UPCQXQGLOBJMJO-NXEZZACHSA-N 1 0 236.315 1.486 10 10 BDCERO COCC[N@H+](Cc1ccc(N)cc1)C1CC1 ZINC000035366056 174298582 /nfs/dbraw/zinc/29/85/82/174298582.db2.gz QVXCKURJOUUZKW-UHFFFAOYSA-N 1 0 220.316 1.880 10 10 BDCERO COc1ccc(N2CC[C@H](C[NH3+])C2)c(C)c1 ZINC000061568040 175139064 /nfs/dbraw/zinc/13/90/64/175139064.db2.gz HZFODWCSRIRKRV-LLVKDONJSA-N 1 0 220.316 1.789 10 10 BDCERO C[C@@H]([NH3+])c1ccc(N(C)C[C@@H](C)O)cc1 ZINC000051821028 175968426 /nfs/dbraw/zinc/96/84/26/175968426.db2.gz RCQNCTDIWJHNTL-NXEZZACHSA-N 1 0 208.305 1.523 10 10 BDCERO C[C@@H]1CCCN1c1ccc2c(c1)NC(=O)[C@@H]2[NH3+] ZINC000037911154 176112019 /nfs/dbraw/zinc/11/20/19/176112019.db2.gz QJXPOQTUQVCOEP-PRHODGIISA-N 1 0 231.299 1.627 10 10 BDCERO C[C@H](c1ccccc1O)N(C)C(=O)C[C@H](C)[NH3+] ZINC000037826563 176755417 /nfs/dbraw/zinc/75/54/17/176755417.db2.gz JXLUESJEYXCHRK-VHSXEESVSA-N 1 0 236.315 1.649 10 10 BDCERO C[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(N)cc1 ZINC000037909808 177109359 /nfs/dbraw/zinc/10/93/59/177109359.db2.gz KKZAGDZBUOXMAS-JTQLQIEISA-N 1 0 233.315 1.692 10 10 BDCERO C[C@H]1C[NH+](CCc2ccc(N)cc2)C[C@H](C)O1 ZINC000020071834 177254309 /nfs/dbraw/zinc/25/43/09/177254309.db2.gz MVOJGFBTRPXOFC-RYUDHWBXSA-N 1 0 234.343 1.921 10 10 BDCERO C[C@H]1C[N@H+](CCc2ccc(N)cc2)CCN1C ZINC000104129525 177255054 /nfs/dbraw/zinc/25/50/54/177255054.db2.gz YBWFYPJKBRYWSN-LBPRGKRZSA-N 1 0 233.359 1.447 10 10 BDCERO C[C@@H]([NH2+]CC1CC(O)C1)c1ccccc1O ZINC000084445904 325582925 /nfs/dbraw/zinc/58/29/25/325582925.db2.gz DDHSKTPLTPNWFL-KPPDAEKUSA-N 1 0 221.300 1.814 10 10 BDCERO CN1CCCc2cc([C@H](N)C[NH3+])ccc21 ZINC000044474115 536398397 /nfs/dbraw/zinc/39/83/97/536398397.db2.gz JLRADLKEGBGVDD-LLVKDONJSA-N 1 0 205.305 1.028 10 10 BDCERO COc1ccc(N2CC[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000049693919 536707164 /nfs/dbraw/zinc/70/71/64/536707164.db2.gz BLKXYWIKIQXDKQ-GWCFXTLKSA-N 1 0 220.316 1.869 10 10 BDCERO C[C@@H]1CC[NH2+][C@H]([C@H]2CCCC(=O)C2=O)C1 ZINC000253174099 582675034 /nfs/dbraw/zinc/67/50/34/582675034.db2.gz MKIWVDMMNRFFHU-BBBLOLIVSA-N 1 0 209.289 1.313 10 10 BDCERO COC(=O)C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000019784022 589979446 /nfs/dbraw/zinc/97/94/46/589979446.db2.gz ZDZPKDIOYSXSFS-NSHDSACASA-N 1 0 222.288 1.316 10 10 BDCERO Oc1cc2c(cc1C[NH2+]C1CC=CC1)OCO2 ZINC000125262011 590159410 /nfs/dbraw/zinc/15/94/10/590159410.db2.gz HBPPPKRLXYXZJJ-UHFFFAOYSA-N 1 0 233.267 1.929 10 10 BDCERO COc1ccc(O)c(CN2C[C@H](C)[C@H]([NH3+])C2)c1 ZINC000300050363 592501557 /nfs/dbraw/zinc/50/15/57/592501557.db2.gz ZEHABPDOEIDVAI-JOYOIKCWSA-N 1 0 236.315 1.180 10 10 BDCERO C[C@@H](O)[C@H](C)[NH2+]Cc1cc(Cl)ccc1O ZINC000309037805 632621295 /nfs/dbraw/zinc/62/12/95/632621295.db2.gz JFPFSMUEXFARNC-JGVFFNPUSA-N 1 0 229.707 1.905 10 10 BDCERO C[C@@H](O)[C@@H](C)[NH2+]Cc1cc(F)ccc1O ZINC000379923788 712627758 /nfs/dbraw/zinc/62/77/58/712627758.db2.gz JRJPVIGWEAVZLM-HTQZYQBOSA-N 1 0 213.252 1.390 10 10 BDCERO OCC1CC([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000705164562 712124838 /nfs/dbraw/zinc/12/48/38/712124838.db2.gz HASTWMPDKWMTNL-UHFFFAOYSA-N 1 0 233.311 1.482 10 10 BDCERO [NH3+]C1CN(Cc2c(O)cccc2Cl)C1 ZINC000128336596 346899286 /nfs/dbraw/zinc/89/92/86/346899286.db2.gz RCHBMKIKFQYCEJ-UHFFFAOYSA-N 1 0 212.680 1.189 10 10 BDCERO CCN(CC)c1ccc([C@@H]([NH3+])CN)c(O)c1 ZINC000072201086 343069416 /nfs/dbraw/zinc/06/94/16/343069416.db2.gz SSZCECVFRVMQQR-NSHDSACASA-N 1 0 223.320 1.197 10 10 BDCERO Cc1cccc(C[NH2+]CCc2c[nH]cn2)c1O ZINC000083358182 179092846 /nfs/dbraw/zinc/09/28/46/179092846.db2.gz SJVWWJAFCCQHKR-UHFFFAOYSA-N 1 0 231.299 1.756 10 10 BDCERO C[NH+](C)[C@@H]1CCN(c2ccc(N)cc2)C1 ZINC000062965531 346755892 /nfs/dbraw/zinc/75/58/92/346755892.db2.gz PZJDWCYGPDQBKO-GFCCVEGCSA-N 1 0 205.305 1.409 10 10 BDCERO [NH3+]CC[C@@H]([NH3+])c1c([O-])c(Cl)ccc1F ZINC000307064139 351460741 /nfs/dbraw/zinc/46/07/41/351460741.db2.gz PTOVJSNDGPKBPN-SSDOTTSWSA-N 1 0 218.659 1.533 10 10 BDCERO c1csc(S[C@@H]2CCC[NH2+]C2)n1 ZINC000043501715 188295393 /nfs/dbraw/zinc/29/53/93/188295393.db2.gz PNRHPXGAPYNUKO-SSDOTTSWSA-N 1 0 200.332 1.987 10 10 BDCERO NC(=O)C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000022143450 181236152 /nfs/dbraw/zinc/23/61/52/181236152.db2.gz PCHZSVPAGYECEH-UHFFFAOYSA-N 1 0 249.097 1.274 10 10 BDCERO N#[N+]CC(=O)OCC=CCOCc1ccccc1 ZINC000584591515 358249497 /nfs/dbraw/zinc/24/94/97/358249497.db2.gz RKHKQPZGGURGPQ-PLNGDYQASA-N 1 0 246.266 1.603 10 10 BDCERO COc1ccc(Cl)c(CC(=O)C[N+]#N)c1 ZINC000584627868 358297463 /nfs/dbraw/zinc/29/74/63/358297463.db2.gz NEAZCCPUVVWBKP-UHFFFAOYSA-N 1 0 224.647 1.761 10 10 BDCERO N#[N+]CC(=O)OCC=C=C1CCCCC1 ZINC000584632185 358314753 /nfs/dbraw/zinc/31/47/53/358314753.db2.gz MAFPRHLHQPZIKU-UHFFFAOYSA-N 1 0 206.245 1.876 10 10 BDCERO Oc1ccc(C[NH2+]CCc2ccncc2)c(O)c1 ZINC000048261279 183270725 /nfs/dbraw/zinc/27/07/25/183270725.db2.gz NHZXOOYCYMAXOU-UHFFFAOYSA-N 1 0 244.294 1.825 10 10 BDCERO Oc1ccc2c(c1O)CC[C@@H]1CC[NH2+]C[C@H]21 ZINC000058575938 183283550 /nfs/dbraw/zinc/28/35/50/183283550.db2.gz UBYDLPXWPINXGY-KCJUWKMLSA-N 1 0 219.284 1.737 10 10 BDCERO Oc1cccc(C[NH2+]C[C@H]2CCCO2)c1O ZINC000041049393 183291694 /nfs/dbraw/zinc/29/16/94/183291694.db2.gz MVHYKRDWIXADKK-SNVBAGLBSA-N 1 0 223.272 1.366 10 10 BDCERO CCCN(CC[NH3+])c1ccc(OC)cc1 ZINC000076584580 169158538 /nfs/dbraw/zinc/15/85/38/169158538.db2.gz HHUDMJGZIGVMPZ-UHFFFAOYSA-N 1 0 208.305 1.870 10 10 BDCERO Oc1cccc2c1[C@@H]([NH2+]CCn1cncn1)CC2 ZINC000294160362 183296612 /nfs/dbraw/zinc/29/66/12/183296612.db2.gz IJJVSVWTLYEEAE-NSHDSACASA-N 1 0 244.298 1.261 10 10 BDCERO Oc1ccccc1C[NH2+][C@@H]1CCCC[C@@H]1O ZINC000051991272 183303160 /nfs/dbraw/zinc/30/31/60/183303160.db2.gz OXIYYLGPQMPKBV-YPMHNXCESA-N 1 0 221.300 1.785 10 10 BDCERO CCCNC(=O)CN(C)c1ccc(C[NH2+]C)cc1 ZINC000042519088 169219422 /nfs/dbraw/zinc/21/94/22/169219422.db2.gz JXLXTJLTVZWQLI-UHFFFAOYSA-N 1 0 249.358 1.368 10 10 BDCERO CCCNC(=O)C[N@H+](C)Cc1ccc(N)cc1 ZINC000035360478 169219659 /nfs/dbraw/zinc/21/96/59/169219659.db2.gz AVPYSNQZIUUHMG-UHFFFAOYSA-N 1 0 235.331 1.227 10 10 BDCERO CCC[NH2+][C@H](CN)c1ccc2c(c1)CCN2C ZINC000050287367 169289028 /nfs/dbraw/zinc/28/90/28/169289028.db2.gz VTEKMQNSVJBEMS-CYBMUJFWSA-N 1 0 233.359 1.678 10 10 BDCERO c1csc(SC[C@@H]2CC[NH2+]C2)n1 ZINC000051891072 384699853 /nfs/dbraw/zinc/69/98/53/384699853.db2.gz IAYFBRQVBQDPSI-SSDOTTSWSA-N 1 0 200.332 1.845 10 10 BDCERO COc1cc(O)c([C@H]2CCC[NH2+]2)c(OC)c1 ZINC000072202346 384819404 /nfs/dbraw/zinc/81/94/04/384819404.db2.gz SFYWFQKIWBNQJD-SECBINFHSA-N 1 0 223.272 1.834 10 10 BDCERO C[C@@H]1OCC[C@@H]1[NH2+]Cc1cc(F)ccc1O ZINC000226618008 386344185 /nfs/dbraw/zinc/34/41/85/386344185.db2.gz VPVKKDVLHPLKRL-KWQFWETISA-N 1 0 225.263 1.798 10 10 BDCERO CCOC(=O)C[C@@H]([NH3+])c1ccc(O)cc1O ZINC000575438921 387121571 /nfs/dbraw/zinc/12/15/71/387121571.db2.gz NRVTUBUCTRYDHC-SECBINFHSA-N 1 0 225.244 1.051 10 10 BDCERO C[C@@H]1CN(c2ccc(C[NH3+])cc2F)CCO1 ZINC000020469608 132331792 /nfs/dbraw/zinc/33/17/92/132331792.db2.gz JTONQNLUIPAYRS-SECBINFHSA-N 1 0 224.279 1.510 10 10 BDCERO C[NH2+]Cc1ccc(N2CCOC[C@@H]2C)c(F)c1 ZINC000035777762 132339372 /nfs/dbraw/zinc/33/93/72/132339372.db2.gz HHXPDTCOCSBJIM-JTQLQIEISA-N 1 0 238.306 1.770 10 10 BDCERO [NH3+]Cc1ccc(N2CCC[C@H](O)C2)c(F)c1 ZINC000036887014 132343012 /nfs/dbraw/zinc/34/30/12/132343012.db2.gz KEQUKYGCRSGCHE-JTQLQIEISA-N 1 0 224.279 1.246 10 10 BDCERO Cc1cc(C[NH3+])ccc1N1CCO[C@@H](C)C1 ZINC000037733139 132345271 /nfs/dbraw/zinc/34/52/71/132345271.db2.gz DTSJMBIFPXOAPE-NSHDSACASA-N 1 0 220.316 1.679 10 10 BDCERO Cc1cc(C[NH3+])ccc1N1CCC[C@H](CO)C1 ZINC000037733274 132345429 /nfs/dbraw/zinc/34/54/29/132345429.db2.gz YIOYTZJYLVVSMY-ZDUSSCGKSA-N 1 0 234.343 1.662 10 10 BDCERO C[C@@H]1CN(c2ccc3c(c2)OCO3)CC[NH2+]1 ZINC000038247087 132346033 /nfs/dbraw/zinc/34/60/33/132346033.db2.gz TYWKQAWMSGEMIW-SECBINFHSA-N 1 0 220.272 1.213 10 10 BDCERO C[C@H]1CC[C@@H](C(N)=O)CN1c1ccc(C[NH3+])cc1 ZINC000042427017 132351883 /nfs/dbraw/zinc/35/18/83/132351883.db2.gz FKBKRENTJUZILD-CMPLNLGQSA-N 1 0 247.342 1.236 10 10 BDCERO C[C@H]([NH3+])c1ccc(N2CCC[C@H](O)C2)c(F)c1 ZINC000042468791 132352330 /nfs/dbraw/zinc/35/23/30/132352330.db2.gz UWYZIMBQVUQYSP-ONGXEEELSA-N 1 0 238.306 1.807 10 10 BDCERO [NH3+][C@@H]1CCCN(c2ccc3c(c2)OCCO3)C1 ZINC000043470577 132353444 /nfs/dbraw/zinc/35/34/44/132353444.db2.gz INVWWGSAKZHJIV-SNVBAGLBSA-N 1 0 234.299 1.385 10 10 BDCERO C[C@H]1C[C@H]([NH3+])CCN1c1ccc2c(c1)OCCO2 ZINC000049708405 132357002 /nfs/dbraw/zinc/35/70/02/132357002.db2.gz BCRGAYXTBPQZAN-WDEREUQCSA-N 1 0 248.326 1.774 10 10 BDCERO Cc1cc(N2CCOC[C@@H]2C)ccc1C[NH3+] ZINC000050582157 132359219 /nfs/dbraw/zinc/35/92/19/132359219.db2.gz JSOFFLGNUSSCBM-NSHDSACASA-N 1 0 220.316 1.679 10 10 BDCERO Cc1cc(N2CCOC[C@H]2C)ccc1C[NH3+] ZINC000050582158 132359304 /nfs/dbraw/zinc/35/93/04/132359304.db2.gz JSOFFLGNUSSCBM-LLVKDONJSA-N 1 0 220.316 1.679 10 10 BDCERO Cc1cc(N2CCC[C@H](CO)C2)ccc1C[NH3+] ZINC000050582440 132359324 /nfs/dbraw/zinc/35/93/24/132359324.db2.gz VSRKCMPYPNFGTD-LBPRGKRZSA-N 1 0 234.343 1.662 10 10 BDCERO CC(C)[NH2+]C[C@@H](O)c1cccc(O)c1O ZINC000169331182 167110336 /nfs/dbraw/zinc/11/03/36/167110336.db2.gz OXKUBEGCUWJYFV-SNVBAGLBSA-N 1 0 211.261 1.129 10 10 BDCERO CC[NH2+]Cc1ccc(N(C)CC(N)=O)c(C)c1 ZINC000050560259 170126437 /nfs/dbraw/zinc/12/64/37/170126437.db2.gz HKXYGMLNSQUTTB-UHFFFAOYSA-N 1 0 235.331 1.026 10 10 BDCERO CC[NH2+][C@H]1c2ccc(N(C)CC)cc2NC1=O ZINC000036194517 170149633 /nfs/dbraw/zinc/14/96/33/170149633.db2.gz GMDOOQKLSABHFB-LBPRGKRZSA-N 1 0 233.315 1.745 10 10 BDCERO C[N@@H+]1CCC[C@@H](Nc2ccccc2N)C1 ZINC000040715823 173022945 /nfs/dbraw/zinc/02/29/45/173022945.db2.gz OCKPUUFDVJJXFS-SNVBAGLBSA-N 1 0 205.305 1.775 10 10 BDCERO CNC(=O)C[NH2+][C@H](C)c1cc(C)ccc1O ZINC000035629041 173278272 /nfs/dbraw/zinc/27/82/72/173278272.db2.gz YVBGUHWYOAMFQA-SECBINFHSA-N 1 0 222.288 1.097 10 10 BDCERO CNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(C)cc1O ZINC000042560945 173295612 /nfs/dbraw/zinc/29/56/12/173295612.db2.gz FYXAICNZIWGREL-NXEZZACHSA-N 1 0 236.315 1.486 10 10 BDCERO C[NH2+]Cc1ccc(N2CCC[C@H]2CO)cc1 ZINC000042433173 173388915 /nfs/dbraw/zinc/38/89/15/173388915.db2.gz YLKYIYLMSQUJGD-ZDUSSCGKSA-N 1 0 220.316 1.367 10 10 BDCERO C[NH2+][C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000037240137 173467084 /nfs/dbraw/zinc/46/70/84/173467084.db2.gz BAPSKLIVSHWTAD-JTQLQIEISA-N 1 0 206.289 1.493 10 10 BDCERO COc1ccc(N2CC[NH2+]C[C@H](C)C2)cc1 ZINC000049660721 175139547 /nfs/dbraw/zinc/13/95/47/175139547.db2.gz GPAURPAKHWVRAW-NSHDSACASA-N 1 0 220.316 1.741 10 10 BDCERO C[C@@H](O)CN(C)c1ccc(C[NH3+])cc1F ZINC000051816700 175968694 /nfs/dbraw/zinc/96/86/94/175968694.db2.gz BPICPCPWLZHVSY-MRVPVSSYSA-N 1 0 212.268 1.101 10 10 BDCERO C[C@@H](c1ccc(O)cc1O)N(C)CC[NH3+] ZINC000054416763 176016941 /nfs/dbraw/zinc/01/69/41/176016941.db2.gz PHMGAWQFRRNBCA-QMMMGPOBSA-N 1 0 210.277 1.049 10 10 BDCERO C[C@@H](c1ccc(O)cc1O)N1CCC[NH2+]CC1 ZINC000038086974 176017375 /nfs/dbraw/zinc/01/73/75/176017375.db2.gz GBGWFZQZZJFWCY-JTQLQIEISA-N 1 0 236.315 1.454 10 10 BDCERO C[NH2+][C@@H]1CCN(c2ccc3c(c2)OCO3)[C@H](C)C1 ZINC000049710011 536378678 /nfs/dbraw/zinc/37/86/78/536378678.db2.gz FAJQUWFEVQTQBS-GHMZBOCLSA-N 1 0 248.326 1.992 10 10 BDCERO C[NH+](C)[C@H]1CCc2c(O)c(O)ccc2C1 ZINC000005689279 560202733 /nfs/dbraw/zinc/20/27/33/560202733.db2.gz LSHRDKPBUUXBAF-VIFPVBQESA-N 1 0 207.273 1.517 10 10 in-vitro BDCERO Cc1cccc(C[NH2+][C@@H]2CCCNC2=O)c1O ZINC000124753977 590080928 /nfs/dbraw/zinc/08/09/28/590080928.db2.gz ITVCXSZOYDKXII-LLVKDONJSA-N 1 0 234.299 1.069 10 10 BDCERO C[C@H]1CN(Cc2cc(F)ccc2O)C[C@H]1[NH3+] ZINC000300334491 592507642 /nfs/dbraw/zinc/50/76/42/592507642.db2.gz ZDRICQJKBPTZCJ-GZMMTYOYSA-N 1 0 224.279 1.310 10 10 BDCERO Cc1ccc(O)c(CN2C[C@@H](C)[C@@H]([NH3+])C2)c1 ZINC000235344136 635573927 /nfs/dbraw/zinc/57/39/27/635573927.db2.gz ZKHSCGZQBRARRE-PWSUYJOCSA-N 1 0 220.316 1.480 10 10 BDCERO COc1ccc(C[NH2+]C2CC(C(N)=O)C2)cc1C ZINC000716732357 712571568 /nfs/dbraw/zinc/57/15/68/712571568.db2.gz QOZWZAGFNFIGGQ-UHFFFAOYSA-N 1 0 248.326 1.357 10 10 BDCERO c1csc(S[C@H]2CCC[NH2+]C2)n1 ZINC000043501716 343475814 /nfs/dbraw/zinc/47/58/14/343475814.db2.gz PNRHPXGAPYNUKO-ZETCQYMHSA-N 1 0 200.332 1.987 10 10 BDCERO Cc1nccn1C[C@H]([NH3+])c1ccccc1O ZINC000011848618 180270106 /nfs/dbraw/zinc/27/01/06/180270106.db2.gz YSXGTNRFUMGTNO-NSHDSACASA-N 1 0 217.272 1.597 10 10 BDCERO CC=CC([N+]#N)C(=O)OCc1ccccc1 ZINC000584610175 358272477 /nfs/dbraw/zinc/27/24/77/358272477.db2.gz VEFZMFKQGKCRIM-QHHAFSJGSA-N 1 0 216.240 1.977 10 10 BDCERO N#[N+]CC(=O)Oc1ccc(Br)cc1 ZINC000584635544 358319286 /nfs/dbraw/zinc/31/92/86/358319286.db2.gz ADCLHILALSHZEB-UHFFFAOYSA-N 1 0 241.044 1.655 10 10 BDCERO NCC[NH2+]Cc1c(O)ccc2ccccc21 ZINC000037712337 181397108 /nfs/dbraw/zinc/39/71/08/181397108.db2.gz UFMJGGVTYDXBMY-UHFFFAOYSA-N 1 0 216.284 1.594 10 10 BDCERO [NH3+][C@@H]1CCCN(Cc2ccc(O)c(O)c2)C1 ZINC000041027614 181578878 /nfs/dbraw/zinc/57/88/78/181578878.db2.gz CLORYBUPOSGCGI-SNVBAGLBSA-N 1 0 222.288 1.021 10 10 BDCERO CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(N)cc1 ZINC000037097825 169086989 /nfs/dbraw/zinc/08/69/89/169086989.db2.gz BOFAJESKIDPZPA-JTQLQIEISA-N 1 0 235.331 1.938 10 10 BDCERO CCCN(C)c1ccc2c(c1)NC(=O)[C@H]2[NH3+] ZINC000036194637 169088292 /nfs/dbraw/zinc/08/82/92/169088292.db2.gz JVLOKEAZLLLMEX-NSHDSACASA-N 1 0 219.288 1.485 10 10 BDCERO Oc1ccc(CC[NH+]2CCCC2)cc1O ZINC000039096588 183269098 /nfs/dbraw/zinc/26/90/98/183269098.db2.gz IDIGSZSLZIBUAZ-UHFFFAOYSA-N 1 0 207.273 1.736 10 10 BDCERO Oc1ccc(C[NH2+]CCc2ccncc2)cc1O ZINC000048261249 183270316 /nfs/dbraw/zinc/27/03/16/183270316.db2.gz YAICXJCAEREMKE-UHFFFAOYSA-N 1 0 244.294 1.825 10 10 BDCERO Oc1ccc(C[NH2+]C[C@H]2CCOC2)cc1O ZINC000037737986 183270883 /nfs/dbraw/zinc/27/08/83/183270883.db2.gz CKDDUUDIYVGQMP-SNVBAGLBSA-N 1 0 223.272 1.224 10 10 BDCERO Oc1ccc(C[NH2+]C[C@@H]2CCCO2)c(O)c1O ZINC000083366874 183270976 /nfs/dbraw/zinc/27/09/76/183270976.db2.gz BJKWZTGPINFBFO-VIFPVBQESA-N 1 0 239.271 1.072 10 10 BDCERO Oc1ccc(F)cc1C[NH2+][C@@H]1CCCC[C@@H]1O ZINC000226608280 183274698 /nfs/dbraw/zinc/27/46/98/183274698.db2.gz YPARGYYZSKQJEB-YPMHNXCESA-N 1 0 239.290 1.924 10 10 BDCERO Oc1ccc(F)cc1C[NH2+]CCc1c[nH]cn1 ZINC000083362119 183275366 /nfs/dbraw/zinc/27/53/66/183275366.db2.gz RHDAYXBFFIKSFQ-UHFFFAOYSA-N 1 0 235.262 1.587 10 10 BDCERO Oc1cc(Cl)ccc1[C@H]1COCC[NH2+]1 ZINC000082983676 183258587 /nfs/dbraw/zinc/25/85/87/183258587.db2.gz IFTUAFBNBYCVGJ-SECBINFHSA-N 1 0 213.664 1.707 10 10 BDCERO Oc1cccc(C[NH2+]Cc2cccnc2)c1O ZINC000041116631 183291007 /nfs/dbraw/zinc/29/10/07/183291007.db2.gz ZKMYFFKDBKDXAG-UHFFFAOYSA-N 1 0 230.267 1.783 10 10 BDCERO CCCNC(=O)C[NH2+]Cc1cc(C)ccc1O ZINC000071407072 169227306 /nfs/dbraw/zinc/22/73/06/169227306.db2.gz XPWMFYJFBHMHOK-UHFFFAOYSA-N 1 0 236.315 1.316 10 10 BDCERO CCCNC(=O)C[NH2+]Cc1cc(F)ccc1O ZINC000226582128 169228032 /nfs/dbraw/zinc/22/80/32/169228032.db2.gz AJFSDZKULRXNTP-UHFFFAOYSA-N 1 0 240.278 1.147 10 10 BDCERO CCC[NH2+][C@@H]1Cc2ccc(O)c(O)c2C1 ZINC000029229843 169284490 /nfs/dbraw/zinc/28/44/90/169284490.db2.gz IISBDWDWBQBLBK-SECBINFHSA-N 1 0 207.273 1.565 10 10 BDCERO C[C@@H]1Cc2nc[nH]c2[C@@H](c2ccccc2O)[NH2+]1 ZINC000027405889 383951345 /nfs/dbraw/zinc/95/13/45/383951345.db2.gz NCQYLJPYWGWZME-PRHODGIISA-N 1 0 229.283 1.739 10 10 BDCERO NC[C@@H]([NH3+])c1ccc(Br)cc1O ZINC000072201261 384814757 /nfs/dbraw/zinc/81/47/57/384814757.db2.gz XTTPEMYGYHCJHP-SSDOTTSWSA-N 1 0 231.093 1.113 10 10 BDCERO C[C@H]1OCC[C@H]1[NH2+]Cc1cc(F)ccc1O ZINC000226618029 386344467 /nfs/dbraw/zinc/34/44/67/386344467.db2.gz VPVKKDVLHPLKRL-LDYMZIIASA-N 1 0 225.263 1.798 10 10 BDCERO [NH3+]CCC[C@H]([NH3+])c1cc([N+](=O)[O-])ccc1[O-] ZINC000575438642 387131051 /nfs/dbraw/zinc/13/10/51/387131051.db2.gz MOUQGMSNGXDMLJ-VIFPVBQESA-N 1 0 225.248 1.039 10 10 BDCERO [NH3+]C1CCN(c2ccc3c(c2)OCCO3)CC1 ZINC000019429551 132324960 /nfs/dbraw/zinc/32/49/60/132324960.db2.gz FHGRVNLUJFYYTO-UHFFFAOYSA-N 1 0 234.299 1.385 10 10 BDCERO C[NH+]1CCN(c2ccc3c(c2)CCCN3)CC1 ZINC000032016112 132335174 /nfs/dbraw/zinc/33/51/74/132335174.db2.gz WDOKFZCTKJRFCT-UHFFFAOYSA-N 1 0 231.343 1.797 10 10 BDCERO [NH3+]Cc1ccc(N2CCC[C@@H](CO)C2)cc1 ZINC000036205668 132340716 /nfs/dbraw/zinc/34/07/16/132340716.db2.gz RQDLLCKVATVOFF-GFCCVEGCSA-N 1 0 220.316 1.354 10 10 BDCERO [NH3+][C@H]1c2ccc(N3CCCCC3)cc2NC1=O ZINC000036194122 132340744 /nfs/dbraw/zinc/34/07/44/132340744.db2.gz XGFRNDMYWPTSKH-LBPRGKRZSA-N 1 0 231.299 1.629 10 10 BDCERO [NH3+]Cc1ccc(N2CCC[C@H](O)C2)cc1 ZINC000036796692 132342821 /nfs/dbraw/zinc/34/28/21/132342821.db2.gz ZHMNKGUAZWCDLP-LBPRGKRZSA-N 1 0 206.289 1.106 10 10 BDCERO Cc1cc(C[NH3+])ccc1N1CCS(=O)CC1 ZINC000049691179 132356240 /nfs/dbraw/zinc/35/62/40/132356240.db2.gz FOXZJRFRTSZDGK-UHFFFAOYSA-N 1 0 238.356 1.022 10 10 BDCERO C[C@H]1C[C@@H]([NH3+])CCN1c1ccc2c(c1)OCCO2 ZINC000049708408 132356989 /nfs/dbraw/zinc/35/69/89/132356989.db2.gz BCRGAYXTBPQZAN-QWRGUYRKSA-N 1 0 248.326 1.774 10 10 BDCERO C[NH2+]Cc1ccc(N2CCC[C@@H](CO)C2)c(C)c1 ZINC000050560517 132359116 /nfs/dbraw/zinc/35/91/16/132359116.db2.gz XGLLAHPNYPOBJQ-CQSZACIVSA-N 1 0 248.370 1.923 10 10 BDCERO CC[NH2+][C@H](C)c1ccc(N(C)CCO)c(F)c1 ZINC000037899417 170158811 /nfs/dbraw/zinc/15/88/11/170158811.db2.gz LGTSKXZOLNJGFH-SNVBAGLBSA-N 1 0 240.322 1.925 10 10 BDCERO CC[C@@](O)(c1ccc(O)c(O)c1)[C@H](C)C[NH3+] ZINC000039096041 171195084 /nfs/dbraw/zinc/19/50/84/171195084.db2.gz OLJIGMREUGNRQH-PELKAZGASA-N 1 0 225.288 1.290 10 10 BDCERO CC[C@H](C(N)=O)N(CC)c1ccc(C[NH3+])cc1 ZINC000061676153 171243371 /nfs/dbraw/zinc/24/33/71/171243371.db2.gz KRJFPVOKBCBOKD-GFCCVEGCSA-N 1 0 235.331 1.236 10 10 BDCERO CC[C@H](C)[NH2+][C@@H](C(N)=O)c1ccc(N(C)C)cc1 ZINC000038065175 171345444 /nfs/dbraw/zinc/34/54/44/171345444.db2.gz ASORQAOEWXZFBB-GXFFZTMASA-N 1 0 249.358 1.667 10 10 BDCERO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(N)cc2)C1 ZINC000042549556 173122409 /nfs/dbraw/zinc/12/24/09/173122409.db2.gz ZGIRKMMLELJAAC-LLVKDONJSA-N 1 0 234.303 1.094 10 10 BDCERO C[N@@H+]1CCc2c(O)c(O)c3c(c2C1)CCC3 ZINC000033824233 173168038 /nfs/dbraw/zinc/16/80/38/173168038.db2.gz KZNJARARCAJVIN-UHFFFAOYSA-N 1 0 219.284 1.574 10 10 BDCERO C[NH2+]Cc1ccc(N2CC[C@@H](O)C2)c(C)c1 ZINC000061711139 173388728 /nfs/dbraw/zinc/38/87/28/173388728.db2.gz PGAKSAJTDYLUQQ-GFCCVEGCSA-N 1 0 220.316 1.285 10 10 BDCERO C[NH2+]Cc1ccc(N2CCC[C@H]2C(N)=O)c(C)c1 ZINC000050560039 173389233 /nfs/dbraw/zinc/38/92/33/173389233.db2.gz ZNXQVJVYSWQHJU-ZDUSSCGKSA-N 1 0 247.342 1.169 10 10 BDCERO COc1ccc(C[NH2+]CCN(C)C)cc1C ZINC000035052496 175106606 /nfs/dbraw/zinc/10/66/06/175106606.db2.gz FQPQRZDAUUYCDB-UHFFFAOYSA-N 1 0 222.332 1.655 10 10 BDCERO COc1ccc(N(C)C[C@H](C)C[NH3+])c(OC)c1 ZINC000049829386 175136040 /nfs/dbraw/zinc/13/60/40/175136040.db2.gz MTZCCXQLBPZARG-SNVBAGLBSA-N 1 0 238.331 1.735 10 10 BDCERO C[C@@H](c1ccccc1O)N(C)C(=O)CCC[NH3+] ZINC000037826531 176024492 /nfs/dbraw/zinc/02/44/92/176024492.db2.gz KKRHZAPMKAKXEH-JTQLQIEISA-N 1 0 236.315 1.651 10 10 BDCERO C[C@@H]1CC[N@H+](Cc2cc(N)ccc2O)C1 ZINC000040716956 176174440 /nfs/dbraw/zinc/17/44/40/176174440.db2.gz YHLKZRWUDDBBDK-SECBINFHSA-N 1 0 206.289 1.816 10 10 BDCERO C[C@H]1C[C@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000052275390 177385454 /nfs/dbraw/zinc/38/54/54/177385454.db2.gz SQVHRDAAIGROMQ-IONNQARKSA-N 1 0 221.256 1.619 10 10 BDCERO COc1ccc(N2C[C@@H](C)[NH2+]C[C@@H]2C)cc1 ZINC000071522606 536708606 /nfs/dbraw/zinc/70/86/06/536708606.db2.gz LWSNTKGYLRKNRD-MNOVXSKESA-N 1 0 220.316 1.882 10 10 BDCERO C[C@@H]1CC[NH2+][C@@H]([C@H]2CCCC(=O)C2=O)C1 ZINC000253174100 582674922 /nfs/dbraw/zinc/67/49/22/582674922.db2.gz MKIWVDMMNRFFHU-OPRDCNLKSA-N 1 0 209.289 1.313 10 10 BDCERO [NH3+][C@@H](CF)c1ccc(N2CCOCC2)c(F)c1 ZINC000757131913 586426011 /nfs/dbraw/zinc/42/60/11/586426011.db2.gz ASQWYJRWNYBXMT-NSHDSACASA-N 1 0 242.269 1.632 10 10 BDCERO C[C@H]1CN(Cc2c(O)cccc2Cl)C[C@H]1[NH3+] ZINC000300049415 592501257 /nfs/dbraw/zinc/50/12/57/592501257.db2.gz ROEUHOPQVGYQPW-GZMMTYOYSA-N 1 0 240.734 1.825 10 10 BDCERO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)[C@H](C)O ZINC000309953945 633975154 /nfs/dbraw/zinc/97/51/54/633975154.db2.gz HKNMGMYMNZKRDP-VGMNWLOBSA-N 1 0 227.279 1.951 10 10 BDCERO C[C@H]([NH2+][C@H]1CCOC[C@H]1O)c1ccccc1O ZINC000706758077 712153808 /nfs/dbraw/zinc/15/38/08/712153808.db2.gz UCYPRVWXPPAQMV-XHVZSJERSA-N 1 0 237.299 1.193 10 10 BDCERO C[C@@H]1[C@@H]([NH3+])CCN1Cc1ccccc1O ZINC000379983173 712643825 /nfs/dbraw/zinc/64/38/25/712643825.db2.gz SXSXFFWBQGVLQT-KOLCDFICSA-N 1 0 206.289 1.314 10 10 BDCERO OC[C@@H]1C[C@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000380196159 712714177 /nfs/dbraw/zinc/71/41/77/712714177.db2.gz QZJCTPLVCBYDEW-WCBMZHEXSA-N 1 0 227.691 1.516 10 10 BDCERO c1csc(SC2CC[NH2+]CC2)n1 ZINC000043501290 343475914 /nfs/dbraw/zinc/47/59/14/343475914.db2.gz SGUIMQPBKFOUME-UHFFFAOYSA-N 1 0 200.332 1.987 10 10 BDCERO COc1ccc2c(c1)[C@@]1(C[C@@H]1[NH3+])CN2C ZINC000725247331 538012108 /nfs/dbraw/zinc/01/21/08/538012108.db2.gz MJHCQYDMFBDXME-NWDGAFQWSA-N 1 0 204.273 1.114 10 10 BDCERO Cc1nccn1CC[N@@H+](C)Cc1ccc(N)cc1 ZINC000049330756 180250257 /nfs/dbraw/zinc/25/02/57/180250257.db2.gz SEOFKDKYICAHFR-UHFFFAOYSA-N 1 0 244.342 1.906 10 10 BDCERO [NH3+]CC[C@@H]([NH3+])c1cc(Cl)cc(F)c1[O-] ZINC000306959064 351381860 /nfs/dbraw/zinc/38/18/60/351381860.db2.gz WYBNQTHDRGIVJF-MRVPVSSYSA-N 1 0 218.659 1.533 10 10 BDCERO C[NH+]1CCC(c2ccc(O)c(O)c2)CC1 ZINC000026943585 187592642 /nfs/dbraw/zinc/59/26/42/187592642.db2.gz JKYGPAJMFOJYKA-UHFFFAOYSA-N 1 0 207.273 1.907 10 10 BDCERO CCN(C)c1ccc2c(c1)NC(=O)[C@@H]2[NH2+]C ZINC000102453601 188322923 /nfs/dbraw/zinc/32/29/23/188322923.db2.gz VEMCRVHOBYLUPS-LLVKDONJSA-N 1 0 219.288 1.355 10 10 BDCERO CC(C)(C)[C@@H]([NH3+])C(=O)NCc1ccccc1O ZINC000083363602 188316028 /nfs/dbraw/zinc/31/60/28/188316028.db2.gz QMHGMWNZFBYIOX-NSHDSACASA-N 1 0 236.315 1.382 10 10 BDCERO N#CN[N+](=O)c1no[n+]([O-])c1-c1ccccc1 ZINC000105406468 181026038 /nfs/dbraw/zinc/02/60/38/181026038.db2.gz WWHIPTNOIATQKA-QBFSEMIESA-N 1 0 231.171 1.050 10 10 BDCERO CCOC(=O)C(C=Cc1ccccc1)[N+]#N ZINC000584609977 358271811 /nfs/dbraw/zinc/27/18/11/358271811.db2.gz DZSZMIRMGOGNPX-CMDGGOBGSA-N 1 0 216.240 1.934 10 10 BDCERO COC(=O)C(C=Cc1ccc(OC)cc1)[N+]#N ZINC000584610127 358272357 /nfs/dbraw/zinc/27/23/57/358272357.db2.gz JYZXJMALXTZLGQ-VMPITWQZSA-N 1 0 232.239 1.552 10 10 BDCERO CN(C)c1ccc(C[NH3+])cc1Br ZINC000169171508 359623926 /nfs/dbraw/zinc/62/39/26/359623926.db2.gz ACFNFJWCIIRIKU-UHFFFAOYSA-N 1 0 229.121 1.974 10 10 BDCERO Oc1ccc2c(c1O)CC[C@H]1[NH2+]CCC[C@H]21 ZINC000038917632 183283388 /nfs/dbraw/zinc/28/33/88/183283388.db2.gz NMEWFOHCMGSVTR-MWLCHTKSSA-N 1 0 219.284 1.880 10 10 BDCERO CCCNC(=O)[C@@H](C)N(C)c1ccc(C[NH3+])cc1 ZINC000034653886 169240846 /nfs/dbraw/zinc/24/08/46/169240846.db2.gz DGTQHSSSYRQKEJ-LLVKDONJSA-N 1 0 249.358 1.496 10 10 BDCERO C[C@@H]1C[C@@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000052275382 384727404 /nfs/dbraw/zinc/72/74/04/384727404.db2.gz SQVHRDAAIGROMQ-APPZFPTMSA-N 1 0 221.256 1.619 10 10 BDCERO Cc1ccc(O)c([C@H](C)[NH2+]CCn2cncn2)c1 ZINC000273441338 385713904 /nfs/dbraw/zinc/71/39/04/385713904.db2.gz YOOGLFVPMDXWJT-NSHDSACASA-N 1 0 246.314 1.643 10 10 BDCERO [NH3+]CCCC[C@H]([NH3+])c1cccc(F)c1[O-] ZINC000575438136 387115055 /nfs/dbraw/zinc/11/50/55/387115055.db2.gz FKTZONNUQJUBPQ-JTQLQIEISA-N 1 0 212.268 1.660 10 10 BDCERO [NH3+][C@H]1CCCN(c2ccc3c(c2)OCO3)C1 ZINC000033426957 132335782 /nfs/dbraw/zinc/33/57/82/132335782.db2.gz ILNUSTALTMQZCN-VIFPVBQESA-N 1 0 220.272 1.343 10 10 BDCERO CC[C@H]1COCCN1c1ccc(C[NH3+])cc1 ZINC000036322235 132342015 /nfs/dbraw/zinc/34/20/15/132342015.db2.gz XBHIYBFJGWDBME-LBPRGKRZSA-N 1 0 220.316 1.761 10 10 BDCERO CC[NH2+][C@@H](C(N)=O)c1ccc2c(c1)CCCN2C ZINC000050287571 132358801 /nfs/dbraw/zinc/35/88/01/132358801.db2.gz ZJPLGLXGVRNLPD-CYBMUJFWSA-N 1 0 247.342 1.205 10 10 BDCERO CN1CCN(c2ccc(C[NH3+])cc2Cl)CC1 ZINC000062792796 132388719 /nfs/dbraw/zinc/38/87/19/132388719.db2.gz KEYCMMQJGGTLTM-UHFFFAOYSA-N 1 0 239.750 1.551 10 10 BDCERO CC(C)C[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC000002029714 167006174 /nfs/dbraw/zinc/00/61/74/167006174.db2.gz TXLFMUAEFKUGBZ-LBPRGKRZSA-N 1 0 225.288 1.377 10 10 BDCERO CC(C)[NH2+]Cc1ccc(N(C)CCO)c(F)c1 ZINC000037899524 167119829 /nfs/dbraw/zinc/11/98/29/167119829.db2.gz IDHVZSSMLGEDJJ-UHFFFAOYSA-N 1 0 240.322 1.752 10 10 BDCERO CCN1CC[NH+](CCc2ccc(N)cc2)CC1 ZINC000019623917 169990377 /nfs/dbraw/zinc/99/03/77/169990377.db2.gz PDTDDIKOCMLTTA-UHFFFAOYSA-N 1 0 233.359 1.449 10 10 BDCERO CCNC(=O)C[N@H+](CC)CCc1ccc(N)cc1 ZINC000042367475 170056882 /nfs/dbraw/zinc/05/68/82/170056882.db2.gz HLSVUIYVGUIUJO-UHFFFAOYSA-N 1 0 249.358 1.269 10 10 BDCERO CN(c1ccc(N)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000053205870 173045208 /nfs/dbraw/zinc/04/52/08/173045208.db2.gz YVHPZVYMFDUTAH-ZDUSSCGKSA-N 1 0 219.332 1.799 10 10 BDCERO C[N@@H+](Cc1ccccc1O)C[C@@H]1CC[NH+](C)C1 ZINC000156018114 173113589 /nfs/dbraw/zinc/11/35/89/173113589.db2.gz IODGFIRXTDBSBO-GFCCVEGCSA-N 1 0 234.343 1.776 10 10 BDCERO C[N@@H+]1CC[C@H](CNc2ccc(N)cc2)C1 ZINC000037484601 173147731 /nfs/dbraw/zinc/14/77/31/173147731.db2.gz HVENIFXVSXAARK-SNVBAGLBSA-N 1 0 205.305 1.632 10 10 BDCERO C[N@@H+]1Cc2cc(O)c(O)cc2C(C)(C)C1 ZINC000039096593 173200277 /nfs/dbraw/zinc/20/02/77/173200277.db2.gz IUNWFAJFAHSPJJ-UHFFFAOYSA-N 1 0 207.273 1.821 10 10 BDCERO COC1CC[NH+](Cc2cc(N)ccc2O)CC1 ZINC000037273612 174028514 /nfs/dbraw/zinc/02/85/14/174028514.db2.gz QRYDDCIWOQWXNZ-UHFFFAOYSA-N 1 0 236.315 1.585 10 10 BDCERO COCCCN(C)c1ccc2c(c1)NC(=O)[C@H]2[NH3+] ZINC000103772177 174221272 /nfs/dbraw/zinc/22/12/72/174221272.db2.gz YJDSVUXJLVFJBB-LBPRGKRZSA-N 1 0 249.314 1.111 10 10 BDCERO COc1ccc(C[NH2+]C[C@@H]2CCCO2)c(O)c1 ZINC000040905833 175107207 /nfs/dbraw/zinc/10/72/07/175107207.db2.gz AVUDWNNBXRHGIX-LBPRGKRZSA-N 1 0 237.299 1.669 10 10 BDCERO COc1ccc(N(C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000049969881 175136637 /nfs/dbraw/zinc/13/66/37/175136637.db2.gz YZSXCNHOIXVIOP-GFCCVEGCSA-N 1 0 220.316 1.883 10 10 BDCERO COc1ccc(N2CC[NH2+][C@@H](C)CC2)cc1 ZINC000049660724 175139590 /nfs/dbraw/zinc/13/95/90/175139590.db2.gz QEMUEHCUMHSXAL-NSHDSACASA-N 1 0 220.316 1.883 10 10 BDCERO COc1ccc(O)c(C[NH2+]CCc2c[nH]cn2)c1 ZINC000083376918 175158764 /nfs/dbraw/zinc/15/87/64/175158764.db2.gz XWXDGVMWDBUXAJ-UHFFFAOYSA-N 1 0 247.298 1.456 10 10 BDCERO COc1ccc(O)c(C[NH2+]CC(OC)OC)c1 ZINC000037566675 175158955 /nfs/dbraw/zinc/15/89/55/175158955.db2.gz RCBUYPNXPMUYCO-UHFFFAOYSA-N 1 0 241.287 1.109 10 10 BDCERO COc1cccc(C[NH2+]CC(OC)OC)c1O ZINC000037566481 175263356 /nfs/dbraw/zinc/26/33/56/175263356.db2.gz VGUFYVWRZHCKHQ-UHFFFAOYSA-N 1 0 241.287 1.109 10 10 BDCERO C[C@@H]1C[N@H+](CCc2ccc(N)cc2)[C@H](C)CO1 ZINC000035782483 176294835 /nfs/dbraw/zinc/29/48/35/176294835.db2.gz DLSGHUXQEKEXIJ-VXGBXAGGSA-N 1 0 234.343 1.921 10 10 BDCERO C[C@H](c1ccc(F)cc1O)N(C)CC[NH3+] ZINC000062749325 177033913 /nfs/dbraw/zinc/03/39/13/177033913.db2.gz WQJUXESGJPZASU-MRVPVSSYSA-N 1 0 212.268 1.483 10 10 BDCERO C[C@H]1COCC[N@@H+]1Cc1cc(N)ccc1O ZINC000035773424 177291813 /nfs/dbraw/zinc/29/18/13/177291813.db2.gz LVUGHOBOAQOANU-VIFPVBQESA-N 1 0 222.288 1.195 10 10 BDCERO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCCc1ccc(N)cc1 ZINC000262577733 535654907 /nfs/dbraw/zinc/65/49/07/535654907.db2.gz LOKCQGZNNVAHCR-ZWNOBZJWSA-N 1 0 249.358 1.301 10 10 BDCERO CCOc1ccc(N2CC[NH2+][C@H](C)C2)cc1 ZINC000016944737 535735197 /nfs/dbraw/zinc/73/51/97/535735197.db2.gz RYJUOFKIDMIREN-LLVKDONJSA-N 1 0 220.316 1.883 10 10 BDCERO COc1cc2c(c(O)c1OC)[C@@H](C)[N@H+](C)CC2 ZINC000002019946 560185792 /nfs/dbraw/zinc/18/57/92/560185792.db2.gz NKHMWHLJHODBEP-MRVPVSSYSA-N 1 0 237.299 1.958 10 10 in-vitro BDCERO CN1CCCc2cc(C[NH2+]CC(C)(C)O)ccc21 ZINC000087009578 631474812 /nfs/dbraw/zinc/47/48/12/631474812.db2.gz JHTPPBYFJNQCLA-UHFFFAOYSA-N 1 0 248.370 1.930 10 10 BDCERO [NH3+]C[C@H]1CCCCN1Cc1ccccc1O ZINC000044540101 641604413 /nfs/dbraw/zinc/60/44/13/641604413.db2.gz ZUYDHJXXMPYPMP-GFCCVEGCSA-N 1 0 220.316 1.705 10 10 BDCERO CN(C)c1ccc(C[NH2+][C@@H]2CCCNC2=O)cc1 ZINC000050393835 643696437 /nfs/dbraw/zinc/69/64/37/643696437.db2.gz PFUCPARDXNQIIU-CYBMUJFWSA-N 1 0 247.342 1.121 10 10 BDCERO C[NH+](C)[C@H]1CCN(Cc2ccc(N)cc2)C1 ZINC000062963756 349502960 /nfs/dbraw/zinc/50/29/60/349502960.db2.gz FPWLHUAFLNFANI-ZDUSSCGKSA-N 1 0 219.332 1.405 10 10 BDCERO Cc1cc(N2CC[C@H](O)C2)ccc1C[NH3+] ZINC000061711159 178118966 /nfs/dbraw/zinc/11/89/66/178118966.db2.gz GCHYABYDKBYUAW-LBPRGKRZSA-N 1 0 206.289 1.025 10 10 BDCERO Nc1ccc(C[N@@H+]2CCCC[C@H]2CO)cc1 ZINC000048856924 343065088 /nfs/dbraw/zinc/06/50/88/343065088.db2.gz VJDUIUGTRLYBLV-ZDUSSCGKSA-N 1 0 220.316 1.616 10 10 BDCERO CCN(CC)c1ccc([C@@H](N)C[NH3+])cc1 ZINC000072200706 343069533 /nfs/dbraw/zinc/06/95/33/343069533.db2.gz VPHDGNGIKRYQGA-LBPRGKRZSA-N 1 0 207.321 1.491 10 10 BDCERO CC[NH+](CC)C[C@H](O)COc1ccc(N)cc1 ZINC000036669826 343142973 /nfs/dbraw/zinc/14/29/73/343142973.db2.gz XTYITLXEIZAUEY-LBPRGKRZSA-N 1 0 238.331 1.350 10 10 BDCERO C[C@@H](O)C[NH2+]Cc1cc(Cl)ccc1O ZINC000035601824 343298971 /nfs/dbraw/zinc/29/89/71/343298971.db2.gz IXRWRDXAAPLSNP-SSDOTTSWSA-N 1 0 215.680 1.516 10 10 BDCERO [NH3+][C@H](CCO)c1cc(Cl)ccc1O ZINC000044232158 344988535 /nfs/dbraw/zinc/98/85/35/344988535.db2.gz YHGOSUFANCIXGV-MRVPVSSYSA-N 1 0 201.653 1.428 10 10 BDCERO COc1cc(F)cc([C@@H]([NH3+])CF)c1O ZINC000238352556 345027376 /nfs/dbraw/zinc/02/73/76/345027376.db2.gz HJCYOUCEEIWNLW-ZETCQYMHSA-N 1 0 203.188 1.509 10 10 BDCERO Cc1cccc(C[NH2+][C@H]2CCC(=O)N[C@@H]2C)c1O ZINC000281863238 179101413 /nfs/dbraw/zinc/10/14/13/179101413.db2.gz VPAYOEHNRBNOTP-PWSUYJOCSA-N 1 0 248.326 1.457 10 10 BDCERO CC1=CNC=[NH+][C@@H]1c1ccc(O)c(O)c1 ZINC000100250285 191062717 /nfs/dbraw/zinc/06/27/17/191062717.db2.gz LHQWWISEKZLDNE-NSHDSACASA-N 1 0 204.229 1.674 10 10 BDCERO CC(C)C[C@H]([NH3+])[C@@H](O)c1ccc(O)c(O)c1 ZINC000054929457 187611220 /nfs/dbraw/zinc/61/12/20/187611220.db2.gz CWPCQHMGXONLMC-CABZTGNLSA-N 1 0 225.288 1.505 10 10 BDCERO COc1ccc(C[NH2+]C2COC2)cc1C ZINC000076641221 188290327 /nfs/dbraw/zinc/29/03/27/188290327.db2.gz QSXFEOCHVHRBRQ-UHFFFAOYSA-N 1 0 207.273 1.492 10 10 BDCERO CN(c1ccc(N)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000053205871 188300095 /nfs/dbraw/zinc/30/00/95/188300095.db2.gz YVHPZVYMFDUTAH-CYBMUJFWSA-N 1 0 219.332 1.799 10 10 BDCERO CC1(C)C[C@@H]1[NH2+]Cc1ccc(O)c(O)c1 ZINC000044371233 188325871 /nfs/dbraw/zinc/32/58/71/188325871.db2.gz GQTJACWQKNBFJD-NSHDSACASA-N 1 0 207.273 1.986 10 10 BDCERO [NH3+]Cc1cccc(OC(F)(F)F)c1O ZINC000238684997 361179261 /nfs/dbraw/zinc/17/92/61/361179261.db2.gz PBSVUWUTUPVACN-UHFFFAOYSA-N 1 0 207.151 1.750 10 10 BDCERO [NH3+]Cc1ccc(N2CCC[C@@H]2CO)cc1 ZINC000042432667 181483414 /nfs/dbraw/zinc/48/34/14/181483414.db2.gz WOLQUOKQTKGLFB-GFCCVEGCSA-N 1 0 206.289 1.106 10 10 BDCERO Oc1ccc(CC[C@@H]2CCC[NH2+]2)cc1O ZINC000039096599 183269109 /nfs/dbraw/zinc/26/91/09/183269109.db2.gz VKCKPCZQIRUOCJ-JTQLQIEISA-N 1 0 207.273 1.782 10 10 BDCERO Oc1ccc(C[NH2+]Cc2ccco2)c(O)c1 ZINC000021956059 183269998 /nfs/dbraw/zinc/26/99/98/183269998.db2.gz KFPARJJSLKESQG-UHFFFAOYSA-N 1 0 219.240 1.981 10 10 BDCERO Oc1ccc(C[NH2+]CCN2CCCC2)c(O)c1 ZINC000020126798 183270489 /nfs/dbraw/zinc/27/04/89/183270489.db2.gz HZJJSDCIVXPNFK-UHFFFAOYSA-N 1 0 236.315 1.283 10 10 BDCERO Oc1ccc(C[NH2+]CC[C@@H]2CCCO2)c(O)c1 ZINC000038095368 183270855 /nfs/dbraw/zinc/27/08/55/183270855.db2.gz NYNXCBIJRRBLEJ-LBPRGKRZSA-N 1 0 237.299 1.757 10 10 BDCERO Oc1ccc(C[NH2+]C[C@H]2CCCOC2)c(O)c1 ZINC000038044205 183271030 /nfs/dbraw/zinc/27/10/30/183271030.db2.gz YOXNAVUWKMKBGC-SNVBAGLBSA-N 1 0 237.299 1.614 10 10 BDCERO COC[C@H]([NH3+])c1ccc2[nH]ccc2c1O ZINC000089204386 383946497 /nfs/dbraw/zinc/94/64/97/383946497.db2.gz AEVFPHJLLWQNFN-VIFPVBQESA-N 1 0 206.245 1.520 10 10 BDCERO C[NH+](C)CCCC[NH2+]Cc1cccc(F)c1[O-] ZINC000158750030 384266447 /nfs/dbraw/zinc/26/64/47/384266447.db2.gz MZLLSYFBEBPCAH-UHFFFAOYSA-N 1 0 240.322 1.963 10 10 BDCERO N[C@H](C[NH3+])c1ccc(N2CCCC2)cc1 ZINC000044469338 384733266 /nfs/dbraw/zinc/73/32/66/384733266.db2.gz FFRGKQMGQILGED-GFCCVEGCSA-N 1 0 205.305 1.245 10 10 BDCERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1ccccc1O ZINC000282253724 385547453 /nfs/dbraw/zinc/54/74/53/385547453.db2.gz GTLMIVPEIBATNH-ONGXEEELSA-N 1 0 234.299 1.149 10 10 BDCERO N#[N+]C(C(=O)OCc1ccccc1)C1CC1 ZINC000584599376 387501406 /nfs/dbraw/zinc/50/14/06/387501406.db2.gz FVAXNQFNSFLCRJ-UHFFFAOYSA-N 1 0 216.240 1.811 10 10 BDCERO C[C@@H]1C[NH2+]CCN1c1ccc2c(c1)OCO2 ZINC000041233951 132349749 /nfs/dbraw/zinc/34/97/49/132349749.db2.gz RGSMDXXMJIMHCB-SECBINFHSA-N 1 0 220.272 1.213 10 10 BDCERO C[C@@H]1C[C@H]([NH3+])CCN1c1ccc2c(c1)OCO2 ZINC000049710003 132357592 /nfs/dbraw/zinc/35/75/92/132357592.db2.gz GGUOJANOBCZVTC-NXEZZACHSA-N 1 0 234.299 1.731 10 10 BDCERO Cc1cc(N2CCC[C@H](O)C2)ccc1C[NH3+] ZINC000050583572 132359365 /nfs/dbraw/zinc/35/93/65/132359365.db2.gz RPDKTJYZXIMWDA-ZDUSSCGKSA-N 1 0 220.316 1.415 10 10 BDCERO CC(C)C[NH2+]Cc1ccc(N(C)CC(N)=O)cc1 ZINC000062735628 167008744 /nfs/dbraw/zinc/00/87/44/167008744.db2.gz CUESSRINTZREKY-UHFFFAOYSA-N 1 0 249.358 1.354 10 10 BDCERO CC(C)[NH2+]CCc1cc(O)c(O)cc1N ZINC000169344019 167109380 /nfs/dbraw/zinc/10/93/80/167109380.db2.gz UIZSZOHBBVYCQP-UHFFFAOYSA-N 1 0 210.277 1.221 10 10 BDCERO CC(C)[NH2+]C[C@H]1OCCc2cc(O)c(O)cc21 ZINC000011422430 167117504 /nfs/dbraw/zinc/11/75/04/167117504.db2.gz CFNFHYLQNWHIIW-CYBMUJFWSA-N 1 0 237.299 1.710 10 10 BDCERO CCOCCC[NH2+]Cc1ccc(O)c(O)c1 ZINC000019962861 170381629 /nfs/dbraw/zinc/38/16/29/170381629.db2.gz QBNPFMJCRVVZJE-UHFFFAOYSA-N 1 0 225.288 1.614 10 10 BDCERO C[N@@H+]1CCCN(C(=O)Nc2ccc(N)cc2)CC1 ZINC000035407978 173011875 /nfs/dbraw/zinc/01/18/75/173011875.db2.gz DGCKRJWQQIDHLC-UHFFFAOYSA-N 1 0 248.330 1.438 10 10 BDCERO CN1CCc2cc(C[NH2+][C@H]3CCCOC3)ccc21 ZINC000076690959 173170626 /nfs/dbraw/zinc/17/06/26/173170626.db2.gz KKBHWQFCANNKCN-AWEZNQCLSA-N 1 0 246.354 1.948 10 10 BDCERO CNC(=O)C[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000035629042 173277374 /nfs/dbraw/zinc/27/73/74/173277374.db2.gz YVBGUHWYOAMFQA-VIFPVBQESA-N 1 0 222.288 1.097 10 10 BDCERO CNC(=O)[C@H](C)N(c1ccc(C[NH3+])cc1)C1CC1 ZINC000034655502 173301820 /nfs/dbraw/zinc/30/18/20/173301820.db2.gz GHUKAPRJBULRRK-JTQLQIEISA-N 1 0 247.342 1.249 10 10 BDCERO COc1ccc(N2CCC[NH2+]CC2)cc1C ZINC000049660641 175139738 /nfs/dbraw/zinc/13/97/38/175139738.db2.gz OVPKNMFLDBYUQC-UHFFFAOYSA-N 1 0 220.316 1.803 10 10 BDCERO C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(N)cc1 ZINC000037909807 176108017 /nfs/dbraw/zinc/10/80/17/176108017.db2.gz KKZAGDZBUOXMAS-SNVBAGLBSA-N 1 0 233.315 1.692 10 10 BDCERO C[C@@H]1C[N@H+](Cc2cc(N)ccc2O)CCO1 ZINC000037272210 176301461 /nfs/dbraw/zinc/30/14/61/176301461.db2.gz WNMGDILQWAGVSR-SECBINFHSA-N 1 0 222.288 1.195 10 10 BDCERO C[C@@H]1C[NH2+]CCN1c1ccc2c(c1)OCCO2 ZINC000041263087 176327922 /nfs/dbraw/zinc/32/79/22/176327922.db2.gz RVIQDNARGAHLCX-SNVBAGLBSA-N 1 0 234.299 1.256 10 10 BDCERO C[C@@H]1COC[C@@H](C)[NH+]1Cc1ccc(N)cc1 ZINC000091301841 176346663 /nfs/dbraw/zinc/34/66/63/176346663.db2.gz HENXFLISWTXENK-GHMZBOCLSA-N 1 0 220.316 1.878 10 10 BDCERO C[C@H]1CCC[N@@H+]1CC(=O)N(C)c1ccc(N)cc1 ZINC000037909982 177108674 /nfs/dbraw/zinc/10/86/74/177108674.db2.gz CNNIIYBQVBDNMD-NSHDSACASA-N 1 0 247.342 1.716 10 10 BDCERO COc1ccc(N2CCC[C@@H]([NH3+])C2)cc1OC ZINC000043470512 536674076 /nfs/dbraw/zinc/67/40/76/536674076.db2.gz SNCHLEQAPCMCBN-SNVBAGLBSA-N 1 0 236.315 1.631 10 10 BDCERO C[C@H](O)[C@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000379957325 712636401 /nfs/dbraw/zinc/63/64/01/712636401.db2.gz VUILRLCLBRBOLM-GUBZILKMSA-N 1 0 209.289 1.812 10 10 BDCERO C[C@@H]([NH2+]C[C@H]1CC(=O)N(C)C1)c1ccccc1O ZINC000723570308 711518487 /nfs/dbraw/zinc/51/84/87/711518487.db2.gz FAOAYSMNDHDJHH-GHMZBOCLSA-N 1 0 248.326 1.521 10 10 BDCERO [O-]c1c(F)cccc1C[NH2+]C[C@H]1C[C@H](O)C1 ZINC000720891843 712874440 /nfs/dbraw/zinc/87/44/40/712874440.db2.gz APKKSHNUMYGVLS-CZMCAQCFSA-N 1 0 225.263 1.392 10 10 BDCERO C[N+](C)(C)[C@H]1CCN(c2ccc(N)cc2)C1 ZINC000038844703 717126771 /nfs/dbraw/zinc/12/67/71/717126771.db2.gz UZIALGOKLCSTGJ-ZDUSSCGKSA-N 1 0 220.340 1.554 10 10 BDCERO C[N+](C)(C)CCCNc1ccc(N)cc1 ZINC000082123940 717135361 /nfs/dbraw/zinc/13/53/61/717135361.db2.gz MXNKHIBQDLCQLG-UHFFFAOYSA-N 1 0 208.329 1.777 10 10 BDCERO C[C@H](C[N+](C)(C)C)Nc1ccc(N)cc1 ZINC000078217710 717135461 /nfs/dbraw/zinc/13/54/61/717135461.db2.gz MEMSTMJTWIABRI-SNVBAGLBSA-N 1 0 208.329 1.775 10 10 BDCERO C[NH+](C)[C@@H]1CCN(Cc2ccc(N)cc2)C1 ZINC000062963755 349503518 /nfs/dbraw/zinc/50/35/18/349503518.db2.gz FPWLHUAFLNFANI-CYBMUJFWSA-N 1 0 219.332 1.405 10 10 BDCERO Cc1cc([C@@H]([NH3+])CN)c(O)cc1Cl ZINC000072200584 178236242 /nfs/dbraw/zinc/23/62/42/178236242.db2.gz FLDZYCFUUIPOQL-QMMMGPOBSA-N 1 0 200.669 1.313 10 10 BDCERO CC(C)[NH2+]C[C@@H](O)COc1ccc(N)cc1 ZINC000005138353 342758684 /nfs/dbraw/zinc/75/86/84/342758684.db2.gz MBHQWSSJIBMVIA-LLVKDONJSA-N 1 0 224.304 1.007 10 10 BDCERO CN(C)[C@@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000132723897 398341238 /nfs/dbraw/zinc/34/12/38/398341238.db2.gz VDHQAEIAGURHGF-GFCCVEGCSA-N 1 0 220.316 1.528 10 10 BDCERO CC(=O)Nc1ccc(C[NH+]2CCCC2)c(O)c1 ZINC000117783829 343016160 /nfs/dbraw/zinc/01/61/60/343016160.db2.gz HYXOIQHNIKRNRD-UHFFFAOYSA-N 1 0 234.299 1.946 10 10 BDCERO NC[C@@H]([NH3+])c1c(O)ccc2ccccc21 ZINC000072200599 343069298 /nfs/dbraw/zinc/06/92/98/343069298.db2.gz MKZQJRQOTMJVNJ-SNVBAGLBSA-N 1 0 202.257 1.504 10 10 BDCERO C[C@@H]1c2c(O)c(O)ccc2[C@@H](O)C[N@H+]1C ZINC000039096819 343382461 /nfs/dbraw/zinc/38/24/61/343382461.db2.gz FFPOPDFIKAHFHN-MUWHJKNJSA-N 1 0 209.245 1.138 10 10 BDCERO c1csc(SC[C@H]2CCC[NH2+]2)n1 ZINC000043497454 343475830 /nfs/dbraw/zinc/47/58/30/343475830.db2.gz XPPCJUFJQNSRQG-SSDOTTSWSA-N 1 0 200.332 1.987 10 10 BDCERO Cc1cccc(C[NH2+][C@@H]2CCC(=O)N[C@@H]2C)c1O ZINC000281863241 179098009 /nfs/dbraw/zinc/09/80/09/179098009.db2.gz VPAYOEHNRBNOTP-ZYHUDNBSSA-N 1 0 248.326 1.457 10 10 BDCERO Cc1cccc(C[NH2+][C@@H]2CCO[C@@H]2C)c1O ZINC000162872888 179098501 /nfs/dbraw/zinc/09/85/01/179098501.db2.gz GUUKFYUVYXIQMV-ZYHUDNBSSA-N 1 0 221.300 1.968 10 10 BDCERO C=C=C(COC(=O)C[N+]#N)c1ccccc1 ZINC000584627524 358297167 /nfs/dbraw/zinc/29/71/67/358297167.db2.gz VEJAURXBHXPFOF-UHFFFAOYSA-N 1 0 214.224 1.699 10 10 BDCERO C[C@@H]1Cc2nc[nH]c2[C@H](c2ccccc2O)[NH2+]1 ZINC000027405893 383952586 /nfs/dbraw/zinc/95/25/86/383952586.db2.gz NCQYLJPYWGWZME-PELKAZGASA-N 1 0 229.283 1.739 10 10 BDCERO COc1cccc(C[NH2+]CC2CC(O)C2)c1O ZINC000091524621 384131437 /nfs/dbraw/zinc/13/14/37/384131437.db2.gz NVLJHVVCVVCAMS-UHFFFAOYSA-N 1 0 237.299 1.261 10 10 BDCERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C)c1ccccc1O ZINC000282436657 384276930 /nfs/dbraw/zinc/27/69/30/384276930.db2.gz UGZZXMFPXGMMNM-HOSYDEDBSA-N 1 0 248.326 1.710 10 10 BDCERO Cc1ccc(O)c(C[NH2+][C@@H]2CCC(=O)N[C@@H]2C)c1 ZINC000282434979 384274801 /nfs/dbraw/zinc/27/48/01/384274801.db2.gz RPKOIDUOHXJEPS-ZYHUDNBSSA-N 1 0 248.326 1.457 10 10 BDCERO [NH3+][C@@H](CO)c1ccc(Br)cc1O ZINC000072198717 384816589 /nfs/dbraw/zinc/81/65/89/384816589.db2.gz OCMZLIPLJLNCOA-ZETCQYMHSA-N 1 0 232.077 1.147 10 10 BDCERO C[C@@H]1c2c(O)c(O)ccc2[C@H](O)C[N@H+]1C ZINC000032232970 385137859 /nfs/dbraw/zinc/13/78/59/385137859.db2.gz FFPOPDFIKAHFHN-HZGVNTEJSA-N 1 0 209.245 1.138 10 10 BDCERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccccc1O ZINC000282253710 385546596 /nfs/dbraw/zinc/54/65/96/385546596.db2.gz GTLMIVPEIBATNH-GXSJLCMTSA-N 1 0 234.299 1.149 10 10 BDCERO C[C@@H]1CCCN(c2ccc3c(c2)NC(=O)[C@@H]3[NH3+])C1 ZINC000036193638 132340821 /nfs/dbraw/zinc/34/08/21/132340821.db2.gz HLFQGLHDOWCTSC-NOZJJQNGSA-N 1 0 245.326 1.875 10 10 BDCERO CC[NH2+][C@H](C(N)=O)c1ccc2c(c1)CCCN2C ZINC000050287569 132358828 /nfs/dbraw/zinc/35/88/28/132358828.db2.gz ZJPLGLXGVRNLPD-ZDUSSCGKSA-N 1 0 247.342 1.205 10 10 BDCERO CC(C)[NH2+]C[C@@H]1OCCc2cc(O)c(O)cc21 ZINC000011422431 167113341 /nfs/dbraw/zinc/11/33/41/167113341.db2.gz CFNFHYLQNWHIIW-ZDUSSCGKSA-N 1 0 237.299 1.710 10 10 BDCERO CCN(c1ccc(OC)cc1OC)[C@H](C)C[NH3+] ZINC000020261352 169942142 /nfs/dbraw/zinc/94/21/42/169942142.db2.gz GWPWOIMHKAMPES-SNVBAGLBSA-N 1 0 238.331 1.877 10 10 BDCERO CCN(c1ccc2c(c1)NC(=O)[C@H]2[NH3+])C(C)C ZINC000102453693 169943149 /nfs/dbraw/zinc/94/31/49/169943149.db2.gz FZFJFPYJGVSLFV-LBPRGKRZSA-N 1 0 233.315 1.873 10 10 BDCERO CCNC(=O)CN(c1ccc(C[NH3+])cc1)C(C)C ZINC000034655262 170058205 /nfs/dbraw/zinc/05/82/05/170058205.db2.gz PXJMGLHWJHQSIK-UHFFFAOYSA-N 1 0 249.358 1.496 10 10 BDCERO CC[C@H](C)NC(=O)CN(C)c1ccc(C[NH3+])cc1 ZINC000034653756 171323717 /nfs/dbraw/zinc/32/37/17/171323717.db2.gz KFPSZNOUNCCLOU-NSHDSACASA-N 1 0 249.358 1.496 10 10 BDCERO CN(C)c1ccc([C@H]([NH3+])c2nccn2C)cc1 ZINC000011735308 172560427 /nfs/dbraw/zinc/56/04/27/172560427.db2.gz NUZGVXCKXZJLQB-LBPRGKRZSA-N 1 0 230.315 1.534 10 10 BDCERO C[NH2+]Cc1ccc(OC)c(Cn2ccnc2C)c1 ZINC000016942128 173389104 /nfs/dbraw/zinc/38/91/04/173389104.db2.gz OMLSHXAEIOSRNL-UHFFFAOYSA-N 1 0 245.326 1.968 10 10 BDCERO COCC[NH2+][C@H](C)c1ccc(O)cc1O ZINC000019881422 174339747 /nfs/dbraw/zinc/33/97/47/174339747.db2.gz HKRCGUMGGOUPPX-MRVPVSSYSA-N 1 0 211.261 1.395 10 10 BDCERO CO[C@H]1CCC[C@H]1[NH2+]CCc1ccc(N)cc1 ZINC000050375597 174884067 /nfs/dbraw/zinc/88/40/67/174884067.db2.gz BULBGQZZEJLCIC-KGLIPLIRSA-N 1 0 234.343 1.968 10 10 BDCERO COc1cc(C[NH3+])ccc1N1CCCC1 ZINC000082932964 174979329 /nfs/dbraw/zinc/97/93/29/174979329.db2.gz UBFCXNACSLIVFB-UHFFFAOYSA-N 1 0 206.289 1.754 10 10 BDCERO COc1ccc(N2CC[C@H]([NH3+])C2)c(OC)c1 ZINC000033427029 175139420 /nfs/dbraw/zinc/13/94/20/175139420.db2.gz NDVRCKBVQBBCNV-VIFPVBQESA-N 1 0 222.288 1.241 10 10 BDCERO C[C@@H]1C[N@H+](Cc2ccccc2O)C[C@@H]1N(C)C ZINC000131463097 176307524 /nfs/dbraw/zinc/30/75/24/176307524.db2.gz HZCUALLXAQWEGJ-YPMHNXCESA-N 1 0 234.343 1.774 10 10 BDCERO C[C@@H]1CN(c2ccc(C[NH3+])cc2)CCCO1 ZINC000061912701 176319167 /nfs/dbraw/zinc/31/91/67/176319167.db2.gz VJHOUZPHWGRBOH-LLVKDONJSA-N 1 0 220.316 1.761 10 10 BDCERO C[C@H](O)C[NH2+][C@@H](C)c1ccc(O)cc1O ZINC000035601941 176989135 /nfs/dbraw/zinc/98/91/35/176989135.db2.gz IWBLCLJEQUAVLJ-YUMQZZPRSA-N 1 0 211.261 1.129 10 10 BDCERO C[C@H]1C[N@H+](CCc2ccc(N)cc2)CCO1 ZINC000020072083 177254277 /nfs/dbraw/zinc/25/42/77/177254277.db2.gz AMZMWUCLBQAXSV-NSHDSACASA-N 1 0 220.316 1.532 10 10 BDCERO COc1ccc(N2CCC([NH3+])CC2)cc1C ZINC000049530913 536670396 /nfs/dbraw/zinc/67/03/96/536670396.db2.gz ZLEKPNZUWGMZDX-UHFFFAOYSA-N 1 0 220.316 1.931 10 10 BDCERO [NH3+]C[C@@H]1CCCN1Cc1cc(Cl)ccc1O ZINC000168816468 633151153 /nfs/dbraw/zinc/15/11/53/633151153.db2.gz RZAGRWQDBQHXKU-NSHDSACASA-N 1 0 240.734 1.969 10 10 BDCERO C[C@H]1[C@H]([NH3+])CCN1Cc1ccc(N(C)C)cc1 ZINC000310341830 634126931 /nfs/dbraw/zinc/12/69/31/634126931.db2.gz CZJSLUYFAJLHPA-SMDDNHRTSA-N 1 0 233.359 1.674 10 10 BDCERO [NH3+][C@H]1CC[C@@H](C(=O)NCc2ccccc2O)C1 ZINC000228421189 640873409 /nfs/dbraw/zinc/87/34/09/640873409.db2.gz BKDKCHDZSNYDHE-KOLCDFICSA-N 1 0 234.299 1.136 10 10 BDCERO Oc1cccc2c1[C@H]([NH2+][C@H]1CCOC[C@@H]1O)CC2 ZINC000706726491 712153176 /nfs/dbraw/zinc/15/31/76/712153176.db2.gz BSQITMFZXUSZIA-LOWVWBTDSA-N 1 0 249.310 1.119 10 10 BDCERO Cc1cc(N(C)CCO)ccc1C[NH2+]C(C)C ZINC000050582700 178098578 /nfs/dbraw/zinc/09/85/78/178098578.db2.gz JLFGMXXQEMDJRQ-UHFFFAOYSA-N 1 0 236.359 1.922 10 10 BDCERO Cc1cc(N2CC[C@@H](O)C2)ccc1C[NH3+] ZINC000061711162 178117120 /nfs/dbraw/zinc/11/71/20/178117120.db2.gz GCHYABYDKBYUAW-GFCCVEGCSA-N 1 0 206.289 1.025 10 10 BDCERO Nc1c(F)ccc([C@@H]2CCCC[NH2+]2)c1O ZINC000308773742 342870722 /nfs/dbraw/zinc/87/07/22/342870722.db2.gz HPADLGFDSOHJNY-VIFPVBQESA-N 1 0 210.252 1.928 10 10 BDCERO C[C@@H](O)[C@H]1CCC[N@@H+]1Cc1ccc(N)cc1 ZINC000146681750 343305161 /nfs/dbraw/zinc/30/51/61/343305161.db2.gz IZPOHWUZLKPKQN-ZWNOBZJWSA-N 1 0 220.316 1.614 10 10 BDCERO Cc1cccc(C[NH2+][C@H]2CCO[C@H]2C)c1O ZINC000162873193 179101073 /nfs/dbraw/zinc/10/10/73/179101073.db2.gz GUUKFYUVYXIQMV-JQWIXIFHSA-N 1 0 221.300 1.968 10 10 BDCERO COc1ccc2c(c1)[C@@]1(C[C@H]1[NH3+])CN2C ZINC000725247333 538012328 /nfs/dbraw/zinc/01/23/28/538012328.db2.gz MJHCQYDMFBDXME-VXGBXAGGSA-N 1 0 204.273 1.114 10 10 BDCERO NC(=O)[C@H]1CCCC[N@@H+]1CCc1ccc(N)cc1 ZINC000042403975 181279750 /nfs/dbraw/zinc/27/97/50/181279750.db2.gz QIFASYCZUXTBCX-CYBMUJFWSA-N 1 0 247.342 1.151 10 10 BDCERO Cc1cccc(C[NH2+]C[C@@H]2CCC[C@@H]2O)c1O ZINC000124848054 358528682 /nfs/dbraw/zinc/52/86/82/358528682.db2.gz RMVHUHXZIBJQJR-AAEUAGOBSA-N 1 0 235.327 1.951 10 10 BDCERO [NH3+]C[C@@H]1c2ccc(O)c(O)c2-c2ccc(O)cc21 ZINC000006093691 181469287 /nfs/dbraw/zinc/46/92/87/181469287.db2.gz KQVZVMZWAHAQGC-LLVKDONJSA-N 1 0 243.262 1.874 10 10 in-vivo BDCERO NNc1cc(Sc2nccs2)cc[nH+]1 ZINC000227685228 371921720 /nfs/dbraw/zinc/92/17/20/371921720.db2.gz FDIUKKNRACIIAK-UHFFFAOYSA-N 1 0 224.314 1.975 10 10 BDCERO CCCN(C)c1ccc2c(c1)NC(=O)[C@@H]2[NH2+]C ZINC000102453857 169088959 /nfs/dbraw/zinc/08/89/59/169088959.db2.gz DYTIJPWOTSDMPW-GFCCVEGCSA-N 1 0 233.315 1.745 10 10 BDCERO Oc1ccc(C[NH2+]C[C@@H]2CCOC2)c(O)c1 ZINC000037738252 183271028 /nfs/dbraw/zinc/27/10/28/183271028.db2.gz SNWQNDGCMCLCCE-VIFPVBQESA-N 1 0 223.272 1.224 10 10 BDCERO Oc1cccc(O)c1C[NH+]1CCC(O)CC1 ZINC000039098659 183292526 /nfs/dbraw/zinc/29/25/26/183292526.db2.gz BHEVLHUYLAICLI-UHFFFAOYSA-N 1 0 223.272 1.055 10 10 BDCERO Cc1ccc(O)c(C[NH2+][C@H]2CCC(=O)N[C@H]2C)c1 ZINC000282434977 384275797 /nfs/dbraw/zinc/27/57/97/384275797.db2.gz RPKOIDUOHXJEPS-JQWIXIFHSA-N 1 0 248.326 1.457 10 10 BDCERO [NH3+][C@H](CC(F)F)c1ccc(O)cc1O ZINC000575437905 387112991 /nfs/dbraw/zinc/11/29/91/387112991.db2.gz XVOBQCJCQCRBDP-SSDOTTSWSA-N 1 0 203.188 1.753 10 10 BDCERO C[NH2+]Cc1ccc(N2CCO[C@H](C)C2)cc1 ZINC000034823454 132337042 /nfs/dbraw/zinc/33/70/42/132337042.db2.gz SWQNEJQESUEQBW-LLVKDONJSA-N 1 0 220.316 1.631 10 10 BDCERO Oc1ccc(Cl)cc1C[NH2+]CC1CC(O)C1 ZINC000084446974 322835830 /nfs/dbraw/zinc/83/58/30/322835830.db2.gz RTDUKLTTZOBGFX-UHFFFAOYSA-N 1 0 241.718 1.906 10 10 BDCERO CC(C)[NH2+]Cc1ccc(N2CCNC(=O)C2)cc1 ZINC000034824155 132337107 /nfs/dbraw/zinc/33/71/07/132337107.db2.gz UZGSURGQYHYJHO-UHFFFAOYSA-N 1 0 247.342 1.121 10 10 BDCERO CC[C@@H]1CN(c2ccc(C[NH3+])cc2)CCO1 ZINC000037504497 132344659 /nfs/dbraw/zinc/34/46/59/132344659.db2.gz IYPABGNQBINSFN-CYBMUJFWSA-N 1 0 220.316 1.761 10 10 BDCERO FC(F)COc1ccc(N2CC[NH2+]CC2)cc1 ZINC000037755660 132345302 /nfs/dbraw/zinc/34/53/02/132345302.db2.gz MJSUNLJNKDLLJU-UHFFFAOYSA-N 1 0 242.269 1.740 10 10 BDCERO C[NH2+]Cc1ccc(N2CCC[C@H](O)C2)cc1 ZINC000042469570 132352654 /nfs/dbraw/zinc/35/26/54/132352654.db2.gz GYFMZQKCAXXMHW-ZDUSSCGKSA-N 1 0 220.316 1.367 10 10 BDCERO Cc1cc(N2CCC[C@@H](CO)C2)ccc1C[NH3+] ZINC000050582443 132359279 /nfs/dbraw/zinc/35/92/79/132359279.db2.gz VSRKCMPYPNFGTD-GFCCVEGCSA-N 1 0 234.343 1.662 10 10 BDCERO C[C@H]1C[NH2+]C(C)(C)CN1c1ccc2c(c1)OCO2 ZINC000058449502 132368334 /nfs/dbraw/zinc/36/83/34/132368334.db2.gz TZKINWQOQCIDAN-JTQLQIEISA-N 1 0 248.326 1.992 10 10 BDCERO CC[C@H]1C(=O)NCCN1c1ccc(C[NH3+])c(C)c1 ZINC000104135649 132434577 /nfs/dbraw/zinc/43/45/77/132434577.db2.gz WZTOCEMZRCMEHE-ZDUSSCGKSA-N 1 0 247.342 1.169 10 10 BDCERO CCOCCC[NH2+]Cc1ccc(O)c(O)c1O ZINC000083369262 170381789 /nfs/dbraw/zinc/38/17/89/170381789.db2.gz GDORBEFGLAMNAF-UHFFFAOYSA-N 1 0 241.287 1.320 10 10 BDCERO CCc1cc(N2CC[C@@H]([NH3+])C2)ccc1N ZINC000039101041 171762809 /nfs/dbraw/zinc/76/28/09/171762809.db2.gz GLGDKXXCMIIGHH-SNVBAGLBSA-N 1 0 205.305 1.369 10 10 BDCERO CCn1cc(CN(C)c2ccc(C[NH3+])cc2)cn1 ZINC000050539210 172162545 /nfs/dbraw/zinc/16/25/45/172162545.db2.gz QKQHVGSGDIPKHF-UHFFFAOYSA-N 1 0 244.342 1.998 10 10 BDCERO CN(C)C(C)(C)C[NH2+]Cc1ccc(O)c(O)c1 ZINC000020125717 172395642 /nfs/dbraw/zinc/39/56/42/172395642.db2.gz KFEXOTNNYXBCFC-UHFFFAOYSA-N 1 0 238.331 1.528 10 10 BDCERO C[N@@H+]1CCC[C@@H](Nc2ccc(N)cc2)C1 ZINC000040715743 173021390 /nfs/dbraw/zinc/02/13/90/173021390.db2.gz RHZVVDLPNCXGNI-GFCCVEGCSA-N 1 0 205.305 1.775 10 10 BDCERO C[N@@H+]1CCC[C@H](Nc2ccc(N)cc2)C1 ZINC000040715742 173046852 /nfs/dbraw/zinc/04/68/52/173046852.db2.gz RHZVVDLPNCXGNI-LBPRGKRZSA-N 1 0 205.305 1.775 10 10 BDCERO CNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000042560275 173295597 /nfs/dbraw/zinc/29/55/97/173295597.db2.gz OTWYEEWJIQQPFP-RKDXNWHRSA-N 1 0 222.288 1.177 10 10 BDCERO C[NH2+]Cc1cc(F)c(N(C)C)c(F)c1 ZINC000062709727 173386871 /nfs/dbraw/zinc/38/68/71/173386871.db2.gz RZPKUZHQPRPTRU-UHFFFAOYSA-N 1 0 200.232 1.750 10 10 BDCERO COc1ccc(N2CCC[NH2+]CCC2)cc1 ZINC000049662811 175139387 /nfs/dbraw/zinc/13/93/87/175139387.db2.gz BNVODCMFAHUOEG-UHFFFAOYSA-N 1 0 220.316 1.885 10 10 BDCERO COc1ccc(N2CC[C@@H]([NH3+])C2)cc1Cl ZINC000033426916 175139816 /nfs/dbraw/zinc/13/98/16/175139816.db2.gz ZEKDTNHZELVGIB-MRVPVSSYSA-N 1 0 226.707 1.886 10 10 BDCERO C[C@@H]([NH3+])c1ccc(N2CC[C@H](O)C2)c(Cl)c1 ZINC000061710672 175817950 /nfs/dbraw/zinc/81/79/50/175817950.db2.gz MTELNVSXHGNKKO-SCZZXKLOSA-N 1 0 240.734 1.931 10 10 BDCERO C[C@@H]1C[N@H+](CCc2ccc(N)cc2)CCN1C ZINC000104129522 176294632 /nfs/dbraw/zinc/29/46/32/176294632.db2.gz YBWFYPJKBRYWSN-GFCCVEGCSA-N 1 0 233.359 1.447 10 10 BDCERO C[C@@H]1COCC[N@@H+]1Cc1cc(N)ccc1O ZINC000035773423 176337799 /nfs/dbraw/zinc/33/77/99/176337799.db2.gz LVUGHOBOAQOANU-SECBINFHSA-N 1 0 222.288 1.195 10 10 BDCERO C[C@H](O)[C@H]([NH3+])c1ccc2[nH]ccc2c1O ZINC000089204350 177013343 /nfs/dbraw/zinc/01/33/43/177013343.db2.gz MAICYBKZWPYRAX-WKEGUHRASA-N 1 0 206.245 1.254 10 10 BDCERO C[C@H]1CCN(c2ccc3c(c2)OCO3)CC[NH2+]1 ZINC000049661796 177171264 /nfs/dbraw/zinc/17/12/64/177171264.db2.gz NPINOFLAHOFBIB-JTQLQIEISA-N 1 0 234.299 1.604 10 10 BDCERO CC[C@@H]1COCCN1c1ccc(C[NH3+])cc1 ZINC000036322233 535837652 /nfs/dbraw/zinc/83/76/52/535837652.db2.gz XBHIYBFJGWDBME-GFCCVEGCSA-N 1 0 220.316 1.761 10 10 BDCERO C[NH2+][C@@H](CN)c1ccc2c(c1)CCCN2C ZINC000050287354 536354854 /nfs/dbraw/zinc/35/48/54/536354854.db2.gz SHKULACKCZCQNI-LBPRGKRZSA-N 1 0 219.332 1.288 10 10 BDCERO COc1ccc(N2CCC[C@H]([NH3+])C2)cc1 ZINC000033426949 536673816 /nfs/dbraw/zinc/67/38/16/536673816.db2.gz ZPZGQGHLBJGRMI-JTQLQIEISA-N 1 0 206.289 1.623 10 10 BDCERO COc1ccc(N2CC[NH2+]CC2)cc1C ZINC000049530925 536705370 /nfs/dbraw/zinc/70/53/70/536705370.db2.gz PMZXESGFAZJQBR-UHFFFAOYSA-N 1 0 206.289 1.413 10 10 BDCERO OC[C@@H]1C[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000309558888 632495452 /nfs/dbraw/zinc/49/54/52/632495452.db2.gz IRBOMBVBJXQSSS-NWDGAFQWSA-N 1 0 219.284 1.092 10 10 BDCERO CCN1CCC[C@@H]([NH2+]Cc2ccccc2O)C1 ZINC000040502142 633816620 /nfs/dbraw/zinc/81/66/20/633816620.db2.gz UMBFZDZWCYACJC-CYBMUJFWSA-N 1 0 234.343 1.966 10 10 BDCERO Cc1cccc(C[NH2+]C[C@H]2CC(=O)N(C)C2)c1O ZINC000723570177 710728680 /nfs/dbraw/zinc/72/86/80/710728680.db2.gz CPWWGLGQVRSNOD-LLVKDONJSA-N 1 0 248.326 1.269 10 10 BDCERO C[C@@H]([NH2+]C1CC(C(N)=O)C1)c1ccccc1O ZINC000716782967 712573284 /nfs/dbraw/zinc/57/32/84/712573284.db2.gz MAFRFUJZWHDJAO-XNWIYYODSA-N 1 0 234.299 1.307 10 10 BDCERO C[C@@H]([NH2+][C@@H](C)c1cn(C)nn1)c1ccccc1O ZINC000720596190 712856572 /nfs/dbraw/zinc/85/65/72/712856572.db2.gz PUXWYMGWLDRHMJ-ZJUUUORDSA-N 1 0 246.314 1.933 10 10 BDCERO Cc1cc(N(C)C[C@@H](C)O)ccc1C[NH3+] ZINC000051839116 178099323 /nfs/dbraw/zinc/09/93/23/178099323.db2.gz FKLDQFNDKACBCZ-SNVBAGLBSA-N 1 0 208.305 1.271 10 10 BDCERO CCN(CC)c1ccc([C@H]([NH3+])CO)c(O)c1 ZINC000072198499 343069222 /nfs/dbraw/zinc/06/92/22/343069222.db2.gz ACOCNCFXRPTYOC-LLVKDONJSA-N 1 0 224.304 1.231 10 10 BDCERO Nc1ccc(CCCC[NH+]2CCOCC2)cc1 ZINC000049826918 343121354 /nfs/dbraw/zinc/12/13/54/343121354.db2.gz SALAKQGKZTZEDY-UHFFFAOYSA-N 1 0 234.343 1.924 10 10 BDCERO CC[C@](O)(c1ccc(O)c(O)c1)[C@@H](C)C[NH3+] ZINC000039096039 343382365 /nfs/dbraw/zinc/38/23/65/343382365.db2.gz OLJIGMREUGNRQH-QPUJVOFHSA-N 1 0 225.288 1.290 10 10 BDCERO CC(C)(C)Oc1ccc(O)c([C@H]([NH3+])CO)c1 ZINC000072198563 343772255 /nfs/dbraw/zinc/77/22/55/343772255.db2.gz RDUSZPGNBMMGMG-SNVBAGLBSA-N 1 0 225.288 1.562 10 10 BDCERO N#[N+]CC(=O)OCC=Cc1ccccc1 ZINC000117601466 344747984 /nfs/dbraw/zinc/74/79/84/344747984.db2.gz KPBQYAAPHDZGDR-QPJJXVBHSA-N 1 0 202.213 1.544 10 10 BDCERO O=C1CCC[C@@H]([C@@H]2CCCCC[NH2+]2)C1=O ZINC000164514823 346608327 /nfs/dbraw/zinc/60/83/27/346608327.db2.gz FFXRYYXWSUOTDV-UWVGGRQHSA-N 1 0 209.289 1.457 10 10 BDCERO [NH3+]CC[C@H]([NH3+])c1c(F)ccc(F)c1[O-] ZINC000306858076 351184522 /nfs/dbraw/zinc/18/45/22/351184522.db2.gz BXRZVOCCCSBSEO-ZETCQYMHSA-N 1 0 202.204 1.019 10 10 BDCERO COc1ccc(COC(=O)C[N+]#N)cc1 ZINC000685945662 538886954 /nfs/dbraw/zinc/88/69/54/538886954.db2.gz FSHMISVPPQWHOP-UHFFFAOYSA-N 1 0 206.201 1.039 10 10 BDCERO [NH3+]C[C@@H]1CCCCc2c(O)c(O)ccc21 ZINC000029211113 181428081 /nfs/dbraw/zinc/42/80/81/181428081.db2.gz VAHWWHMNWYGJKU-QMMMGPOBSA-N 1 0 207.273 1.867 10 10 BDCERO Oc1ccc(C[NH2+]Cc2ccncc2)c(O)c1 ZINC000020139794 183270567 /nfs/dbraw/zinc/27/05/67/183270567.db2.gz HLXLEDRHLWZARU-UHFFFAOYSA-N 1 0 230.267 1.783 10 10 BDCERO Oc1cc2c(cc1O)[C@@]1(CC[NH2+]C1)CC2 ZINC000039096574 183263181 /nfs/dbraw/zinc/26/31/81/183263181.db2.gz PKVIUDRPVJREQG-GFCCVEGCSA-N 1 0 205.257 1.275 10 10 BDCERO C[C@@H]([NH3+])Cc1ccc(O)c(O)c1Cl ZINC000039096201 384102989 /nfs/dbraw/zinc/10/29/89/384102989.db2.gz BWORGDPGJKMRFF-RXMQYKEDSA-N 1 0 201.653 1.641 10 10 BDCERO C[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C)c1ccccc1O ZINC000282436660 384275278 /nfs/dbraw/zinc/27/52/78/384275278.db2.gz UGZZXMFPXGMMNM-NHCYSSNCSA-N 1 0 248.326 1.710 10 10 BDCERO [NH3+][C@@H](CC(F)F)c1cccc(O)c1O ZINC000575438361 387128808 /nfs/dbraw/zinc/12/88/08/387128808.db2.gz JJAJIIZCNJMLRO-LURJTMIESA-N 1 0 203.188 1.753 10 10 BDCERO C[C@@H]([NH3+])c1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000019872370 132328439 /nfs/dbraw/zinc/32/84/39/132328439.db2.gz PXGBQDHXFLMADZ-SNVBAGLBSA-N 1 0 247.342 1.408 10 10 BDCERO C[C@@H]1CN(c2ccc3c(c2)OCCO3)CC[C@@H]1[NH3+] ZINC000049708386 132356991 /nfs/dbraw/zinc/35/69/91/132356991.db2.gz GSLIUWBQUHHEJV-PWSUYJOCSA-N 1 0 248.326 1.631 10 10 BDCERO C[NH2+]Cc1ccc(N2CCOCC2)c(C)c1 ZINC000050559699 132359064 /nfs/dbraw/zinc/35/90/64/132359064.db2.gz WLPOLHAXICYMBP-UHFFFAOYSA-N 1 0 220.316 1.551 10 10 BDCERO Cc1cc(N2CCC[C@@H](O)C2)ccc1C[NH3+] ZINC000050583574 132359228 /nfs/dbraw/zinc/35/92/28/132359228.db2.gz RPDKTJYZXIMWDA-CYBMUJFWSA-N 1 0 220.316 1.415 10 10 BDCERO CC1(C)CN(c2ccc3c(c2)OCO3)CC[NH2+]1 ZINC000058445760 132368164 /nfs/dbraw/zinc/36/81/64/132368164.db2.gz MRPYEYSFCADZPC-UHFFFAOYSA-N 1 0 234.299 1.604 10 10 BDCERO C[C@@H]1C[NH2+]C(C)(C)CN1c1ccc2c(c1)OCO2 ZINC000058449500 132368219 /nfs/dbraw/zinc/36/82/19/132368219.db2.gz TZKINWQOQCIDAN-SNVBAGLBSA-N 1 0 248.326 1.992 10 10 BDCERO C[C@@H]([NH3+])c1ccc(N2CCNC(=O)[C@@H]2C)cc1 ZINC000104136624 132434876 /nfs/dbraw/zinc/43/48/76/132434876.db2.gz VROJILTUDKDASJ-ZJUUUORDSA-N 1 0 233.315 1.031 10 10 BDCERO CC(C)C[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC000002029716 167006516 /nfs/dbraw/zinc/00/65/16/167006516.db2.gz TXLFMUAEFKUGBZ-GFCCVEGCSA-N 1 0 225.288 1.377 10 10 BDCERO CC(C)[NH2+]C1Cc2cc(O)c(O)cc2C1 ZINC000029230769 167094804 /nfs/dbraw/zinc/09/48/04/167094804.db2.gz PNEKADXHCGQXCD-UHFFFAOYSA-N 1 0 207.273 1.563 10 10 BDCERO CCNC(=O)CN(CC)c1ccc(C[NH2+]C)cc1 ZINC000042370521 170057464 /nfs/dbraw/zinc/05/74/64/170057464.db2.gz DYRVMPLPXRFYIM-UHFFFAOYSA-N 1 0 249.358 1.368 10 10 BDCERO CC[NH2+]Cc1ccc(N2CCC[C@@H]2C(N)=O)cc1 ZINC000034824492 170127199 /nfs/dbraw/zinc/12/71/99/170127199.db2.gz GFYCBWPCIHBRDV-CYBMUJFWSA-N 1 0 247.342 1.250 10 10 BDCERO CC[NH2+]Cc1ccc(N2CC[C@H](O)C2)cc1 ZINC000061711231 170127324 /nfs/dbraw/zinc/12/73/24/170127324.db2.gz FGEIHNZARQGIEM-ZDUSSCGKSA-N 1 0 220.316 1.367 10 10 BDCERO CN(C(=O)C[NH+]1CCCC1)c1ccc(N)cc1 ZINC000037271969 172307298 /nfs/dbraw/zinc/30/72/98/172307298.db2.gz WZFCLDKJJMFMPI-UHFFFAOYSA-N 1 0 233.315 1.327 10 10 BDCERO CN(Cc1ncccn1)c1ccc(C[NH3+])cc1 ZINC000054458646 172928662 /nfs/dbraw/zinc/92/86/62/172928662.db2.gz AKKDLVMHAWLGHV-UHFFFAOYSA-N 1 0 228.299 1.572 10 10 BDCERO CN1CCC[N@H+](Cc2cc(N)ccc2O)CC1 ZINC000037272955 173016332 /nfs/dbraw/zinc/01/63/32/173016332.db2.gz SXFDWPSUFMHWKA-UHFFFAOYSA-N 1 0 235.331 1.112 10 10 BDCERO C[N@@H+]1CCC[C@H](Nc2ccccc2N)C1 ZINC000040715822 173046994 /nfs/dbraw/zinc/04/69/94/173046994.db2.gz OCKPUUFDVJJXFS-JTQLQIEISA-N 1 0 205.305 1.775 10 10 BDCERO C[NH2+]CCN(C)c1ccc2c(c1)CCO2 ZINC000083256795 173353543 /nfs/dbraw/zinc/35/35/43/173353543.db2.gz FKPZXPOZTDJFNG-UHFFFAOYSA-N 1 0 206.289 1.277 10 10 BDCERO C[NH2+]C[C@H]1CCCc2cc(O)c(O)cc21 ZINC000027893967 173380694 /nfs/dbraw/zinc/38/06/94/173380694.db2.gz JWAFPWBWJHQMSH-SECBINFHSA-N 1 0 207.273 1.737 10 10 BDCERO C[NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000011892311 173381546 /nfs/dbraw/zinc/38/15/46/173381546.db2.gz IZLOKSVQNANNGK-LLVKDONJSA-N 1 0 220.316 1.741 10 10 BDCERO COCCC[NH2+]Cc1ccc(OC)cc1O ZINC000040905963 174248527 /nfs/dbraw/zinc/24/85/27/174248527.db2.gz RPENLZQPVNMGGH-UHFFFAOYSA-N 1 0 225.288 1.527 10 10 BDCERO COCC[NH2+][C@@H](C)c1ccc(O)cc1O ZINC000019881421 174338135 /nfs/dbraw/zinc/33/81/35/174338135.db2.gz HKRCGUMGGOUPPX-QMMMGPOBSA-N 1 0 211.261 1.395 10 10 BDCERO COc1cc2c(c(O)c1OC)[C@@H](C)[NH2+]CC2 ZINC000003642677 175019586 /nfs/dbraw/zinc/01/95/86/175019586.db2.gz PRNZAMQMBOFSJY-SSDOTTSWSA-N 1 0 223.272 1.616 10 10 in-vitro BDCERO COc1ccc([C@@H](C)[NH2+]Cc2cn[nH]c2)c(O)c1 ZINC000038005983 175176984 /nfs/dbraw/zinc/17/69/84/175176984.db2.gz PDYSCCVIYCRHDA-SECBINFHSA-N 1 0 247.298 1.975 10 10 BDCERO C[C@@H]1C[NH+](Cc2cc(N)ccc2O)C[C@@H](C)O1 ZINC000037272119 176301062 /nfs/dbraw/zinc/30/10/62/176301062.db2.gz UEKDYCSYWMCJMV-NXEZZACHSA-N 1 0 236.315 1.584 10 10 BDCERO C[NH2+][C@@H]1CCN(c2ccc3c(c2)OCO3)[C@@H](C)C1 ZINC000049710014 536378619 /nfs/dbraw/zinc/37/86/19/536378619.db2.gz FAJQUWFEVQTQBS-WDEREUQCSA-N 1 0 248.326 1.992 10 10 BDCERO COc1ccc(N2CCC[C@H]([NH3+])C2)cc1OC ZINC000043470510 536674565 /nfs/dbraw/zinc/67/45/65/536674565.db2.gz SNCHLEQAPCMCBN-JTQLQIEISA-N 1 0 236.315 1.631 10 10 BDCERO COc1ccc(N2CC[C@H]([NH3+])[C@H](C)C2)cc1 ZINC000049693918 536706770 /nfs/dbraw/zinc/70/67/70/536706770.db2.gz BLKXYWIKIQXDKQ-MFKMUULPSA-N 1 0 220.316 1.869 10 10 BDCERO C[C@H]1CN(Cc2cc(Cl)ccc2O)C[C@H]1[NH3+] ZINC000300047732 592501008 /nfs/dbraw/zinc/50/10/08/592501008.db2.gz FJIKTTBFKNAXJO-GZMMTYOYSA-N 1 0 240.734 1.825 10 10 BDCERO [NH3+]C[C@H]1CCC[C@H]1C(=O)NCc1ccccc1O ZINC000166201260 633108602 /nfs/dbraw/zinc/10/86/02/633108602.db2.gz XXUFWINDTMJFRH-ZYHUDNBSSA-N 1 0 248.326 1.383 10 10 BDCERO c1cc2c(cc1C[NH2+]C[C@@H]1CC[NH2+]C1)CCCO2 ZINC000258854378 635213634 /nfs/dbraw/zinc/21/36/34/635213634.db2.gz ICDMQWILDVFDPL-CYBMUJFWSA-N 1 0 246.354 1.711 10 10 BDCERO [NH3+][C@H]1CCC[C@@H](C(=O)NCc2ccccc2O)C1 ZINC000168403448 640803520 /nfs/dbraw/zinc/80/35/20/640803520.db2.gz XELJMMZJNPWMJB-PWSUYJOCSA-N 1 0 248.326 1.526 10 10 BDCERO C[C@H]1[C@H]([NH3+])CCN1Cc1ccccc1O ZINC000379983169 712643904 /nfs/dbraw/zinc/64/39/04/712643904.db2.gz SXSXFFWBQGVLQT-GXSJLCMTSA-N 1 0 206.289 1.314 10 10 BDCERO C[C@@H]([NH2+][C@H](C)c1ccccc1O)c1cn(C)nn1 ZINC000720596182 712856543 /nfs/dbraw/zinc/85/65/43/712856543.db2.gz PUXWYMGWLDRHMJ-NXEZZACHSA-N 1 0 246.314 1.933 10 10 BDCERO Cc1cc([C@@H]([NH3+])CO)c(O)cc1Cl ZINC000072197916 178235762 /nfs/dbraw/zinc/23/57/62/178235762.db2.gz OEXCGUBVASKBAM-QMMMGPOBSA-N 1 0 201.653 1.346 10 10 BDCERO NC[C@@H]([NH3+])c1cc(C(F)(F)F)ccc1O ZINC000072200993 343069497 /nfs/dbraw/zinc/06/94/97/343069497.db2.gz QZERGLMIQNZNKG-SSDOTTSWSA-N 1 0 220.194 1.370 10 10 BDCERO O=C(c1ccc(O)c(O)c1)C1CC[NH2+]CC1 ZINC000039098400 343382529 /nfs/dbraw/zinc/38/25/29/343382529.db2.gz NSSOZJXODJFTRK-UHFFFAOYSA-N 1 0 221.256 1.280 10 10 BDCERO CN(C)c1ccc(CN2C[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000503713172 529780811 /nfs/dbraw/zinc/78/08/11/529780811.db2.gz SGOYOSDWFYUAGY-ZFWWWQNUSA-N 1 0 245.370 1.546 10 10 BDCERO O=C1CCC[C@H]([C@@H]2CCCCC[NH2+]2)C1=O ZINC000164515028 346608341 /nfs/dbraw/zinc/60/83/41/346608341.db2.gz FFXRYYXWSUOTDV-ZJUUUORDSA-N 1 0 209.289 1.457 10 10 BDCERO C[C@@H](c1ccccc1O)[NH+]1CCOCC1 ZINC000132448075 371824333 /nfs/dbraw/zinc/82/43/33/371824333.db2.gz DAZUOSXUZKPCFE-JTQLQIEISA-N 1 0 207.273 1.785 10 10 BDCERO CCC[N@H+](CC)CC(=O)N(C)c1ccc(N)cc1 ZINC000037273274 169120732 /nfs/dbraw/zinc/12/07/32/169120732.db2.gz ZMLKCCUOMZPKHR-UHFFFAOYSA-N 1 0 249.358 1.964 10 10 BDCERO Oc1ccc(C[NH2+]Cc2ccncc2)cc1O ZINC000020139739 183269988 /nfs/dbraw/zinc/26/99/88/183269988.db2.gz YOMGSNDTZNVRCY-UHFFFAOYSA-N 1 0 230.267 1.783 10 10 BDCERO Oc1ccc(Cl)cc1[C@@H]1COCC[NH2+]1 ZINC000082966759 183273974 /nfs/dbraw/zinc/27/39/74/183273974.db2.gz XUYIDURSYNSFJW-VIFPVBQESA-N 1 0 213.664 1.707 10 10 BDCERO Oc1ccc2c(c1O)CC[C@@]21CC[NH2+]C1 ZINC000039096575 183282452 /nfs/dbraw/zinc/28/24/52/183282452.db2.gz MUIJRCOJLZWZPX-LBPRGKRZSA-N 1 0 205.257 1.275 10 10 BDCERO Oc1ccccc1C[NH2+][C@@H]1CN2CCC1CC2 ZINC000019946450 183303460 /nfs/dbraw/zinc/30/34/60/183303460.db2.gz QLWXALHLFAMGBV-CYBMUJFWSA-N 1 0 232.327 1.576 10 10 BDCERO CCC[NH2+][C@@H]1c2ccc(N(C)C)cc2NC1=O ZINC000102453218 169290847 /nfs/dbraw/zinc/29/08/47/169290847.db2.gz RAMDOGNXYWXAAY-GFCCVEGCSA-N 1 0 233.315 1.745 10 10 BDCERO Cc1cnn(CC[NH2+]Cc2cc(C)ccc2O)c1 ZINC000113338679 383976977 /nfs/dbraw/zinc/97/69/77/383976977.db2.gz HLRMKIVORUBQMF-UHFFFAOYSA-N 1 0 245.326 1.995 10 10 BDCERO Cc1ccc(O)c(C[NH2+]CC2CC(O)C2)c1 ZINC000084446256 384621730 /nfs/dbraw/zinc/62/17/30/384621730.db2.gz WLKHEBILGAZMLB-UHFFFAOYSA-N 1 0 221.300 1.561 10 10 BDCERO N[C@@H](C[NH3+])c1ccc(N2CCCC2)cc1 ZINC000044469341 384734959 /nfs/dbraw/zinc/73/49/59/384734959.db2.gz FFRGKQMGQILGED-LBPRGKRZSA-N 1 0 205.305 1.245 10 10 BDCERO Cc1cc(Cl)cc([C@H]([NH3+])CO)c1O ZINC000072197903 384810384 /nfs/dbraw/zinc/81/03/84/384810384.db2.gz OWYHDJVYSFANOO-MRVPVSSYSA-N 1 0 201.653 1.346 10 10 BDCERO COc1cc(F)cc([C@H]2CCC[NH2+]2)c1O ZINC000072202014 384811860 /nfs/dbraw/zinc/81/18/60/384811860.db2.gz BRQUTIGTAYRMCL-SECBINFHSA-N 1 0 211.236 1.964 10 10 BDCERO C[C@H]1OCC[C@@H]1[NH2+]Cc1ccccc1O ZINC000120830285 385433212 /nfs/dbraw/zinc/43/32/12/385433212.db2.gz VEKKZVDOIXVHDV-KOLCDFICSA-N 1 0 207.273 1.659 10 10 BDCERO C[C@H]([NH3+])c1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000019872372 132328608 /nfs/dbraw/zinc/32/86/08/132328608.db2.gz PXGBQDHXFLMADZ-JTQLQIEISA-N 1 0 247.342 1.408 10 10 BDCERO C[N@@H+]1CCN(c2ccc(N)cc2)CC1(C)C ZINC000035064840 132337557 /nfs/dbraw/zinc/33/75/57/132337557.db2.gz PUXMXWUZKNBENK-UHFFFAOYSA-N 1 0 219.332 1.799 10 10 BDCERO C[NH2+][C@H]1CCN(c2ccc3c(c2)OCO3)[C@@H](C)C1 ZINC000049710018 132357485 /nfs/dbraw/zinc/35/74/85/132357485.db2.gz FAJQUWFEVQTQBS-QWRGUYRKSA-N 1 0 248.326 1.992 10 10 BDCERO CC[NH2+]Cc1ccc(N(C)C[C@@H](C)O)c(F)c1 ZINC000051839222 170126288 /nfs/dbraw/zinc/12/62/88/170126288.db2.gz LXZDQFJLLPLXCM-SNVBAGLBSA-N 1 0 240.322 1.752 10 10 BDCERO CC[NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000037240131 170152531 /nfs/dbraw/zinc/15/25/31/170152531.db2.gz OBHCKWWPAMLZHT-LLVKDONJSA-N 1 0 220.316 1.883 10 10 BDCERO CC[NH2+][C@H](C)C(=O)c1ccc(O)c(O)c1 ZINC000033610782 170157175 /nfs/dbraw/zinc/15/71/75/170157175.db2.gz MMTPCMCJFNWHLO-SSDOTTSWSA-N 1 0 209.245 1.279 10 10 BDCERO CCOC(=O)C1=Nc2ccccc2C1=[N+]=N ZINC000096288844 170191929 /nfs/dbraw/zinc/19/19/29/170191929.db2.gz SFOZKABNUXAKSE-UHFFFAOYSA-N 1 0 216.220 1.364 10 10 BDCERO CCOCCC[NH2+]Cc1cccc(O)c1O ZINC000041049391 170381933 /nfs/dbraw/zinc/38/19/33/170381933.db2.gz KCWKJTKYSKEGHK-UHFFFAOYSA-N 1 0 225.288 1.614 10 10 BDCERO CN1CCc2cc(C[NH2+][C@@H]3CCOC3)ccc21 ZINC000076679380 173169300 /nfs/dbraw/zinc/16/93/00/173169300.db2.gz UNDATSWSONTFDL-CYBMUJFWSA-N 1 0 232.327 1.557 10 10 BDCERO CN1CCc2cc([C@H](C[NH3+])NC3CC3)ccc21 ZINC000050287382 173172756 /nfs/dbraw/zinc/17/27/56/173172756.db2.gz JUVAURIGCDKZJD-ZDUSSCGKSA-N 1 0 231.343 1.431 10 10 BDCERO CNC(=O)[C@H](C)[NH2+]Cc1cc(Cl)ccc1O ZINC000042560523 173302946 /nfs/dbraw/zinc/30/29/46/173302946.db2.gz FUHCBHCNHGRRKC-ZETCQYMHSA-N 1 0 242.706 1.270 10 10 BDCERO C[NH2+]C[C@@H]1CCCc2c(O)c(O)ccc21 ZINC000029204812 173370065 /nfs/dbraw/zinc/37/00/65/173370065.db2.gz HTXPKPRWZOGAPE-QMMMGPOBSA-N 1 0 207.273 1.737 10 10 BDCERO C[NH2+]C[C@H]1CCN(c2ccc3c(c2)OCO3)C1 ZINC000011892378 173381502 /nfs/dbraw/zinc/38/15/02/173381502.db2.gz ZBZUQOAKXQSIDT-SNVBAGLBSA-N 1 0 234.299 1.461 10 10 BDCERO C[NH2+]C[C@H]1CCN(c2ccc3c(c2)OCCO3)C1 ZINC000011892385 173382297 /nfs/dbraw/zinc/38/22/97/173382297.db2.gz IOINGGSIBLEMNB-LLVKDONJSA-N 1 0 248.326 1.504 10 10 BDCERO C[NH2+]Cc1ccc(N2CC[C@H](O)C2)cc1C ZINC000061711163 173389002 /nfs/dbraw/zinc/38/90/02/173389002.db2.gz GUAIBCYDKYLZAC-ZDUSSCGKSA-N 1 0 220.316 1.285 10 10 BDCERO C[NH2+]Cc1ccc(N2CCC[C@@H]2CO)cc1 ZINC000042433172 173389166 /nfs/dbraw/zinc/38/91/66/173389166.db2.gz YLKYIYLMSQUJGD-CYBMUJFWSA-N 1 0 220.316 1.367 10 10 BDCERO COC(=O)CC[NH2+]Cc1cc(F)ccc1O ZINC000083355196 173561809 /nfs/dbraw/zinc/56/18/09/173561809.db2.gz RJAXHKFTQXIVAH-UHFFFAOYSA-N 1 0 227.235 1.184 10 10 BDCERO COCC[N@H+](Cc1cc(N)ccc1O)C1CC1 ZINC000042517312 174299443 /nfs/dbraw/zinc/29/94/43/174299443.db2.gz ISHJWAHMWCPGJQ-UHFFFAOYSA-N 1 0 236.315 1.585 10 10 BDCERO COc1ccc(N2CC[C@H](C[NH3+])C2)c(OC)c1 ZINC000011891706 175139335 /nfs/dbraw/zinc/13/93/35/175139335.db2.gz SEFWZXFOWXEPRI-SNVBAGLBSA-N 1 0 236.315 1.489 10 10 BDCERO COc1cccc(C[NH2+][C@H]2C[C@H]2C)c1O ZINC000052270966 175268172 /nfs/dbraw/zinc/26/81/72/175268172.db2.gz VRSBVXPNEHHLTK-SCZZXKLOSA-N 1 0 207.273 1.899 10 10 BDCERO C[C@@H]1CC[C@@](O)(c2ccc(O)c(O)c2)C[NH2+]1 ZINC000039098600 176219181 /nfs/dbraw/zinc/21/91/81/176219181.db2.gz VPBMQQBMXMSLNK-PELKAZGASA-N 1 0 223.272 1.057 10 10 BDCERO C[C@H](c1ccccc1O)N(C)C(=O)[C@H]1CCC[NH2+]1 ZINC000037826478 177042383 /nfs/dbraw/zinc/04/23/83/177042383.db2.gz PQYIKIRTMOXUBY-ZYHUDNBSSA-N 1 0 248.326 1.664 10 10 BDCERO C[C@H]1CC[N@H+](Cc2cc(N)ccc2O)C1 ZINC000040716957 177163807 /nfs/dbraw/zinc/16/38/07/177163807.db2.gz YHLKZRWUDDBBDK-VIFPVBQESA-N 1 0 206.289 1.816 10 10 BDCERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1ccccc1O ZINC000282253714 177393092 /nfs/dbraw/zinc/39/30/92/177393092.db2.gz GTLMIVPEIBATNH-KOLCDFICSA-N 1 0 234.299 1.149 10 10 BDCERO Oc1ccccc1C[NH2+]CC1CC(O)C1 ZINC000084446167 322835514 /nfs/dbraw/zinc/83/55/14/322835514.db2.gz IZZMTCXTFOXUJU-UHFFFAOYSA-N 1 0 207.273 1.253 10 10 BDCERO COc1ccc(N2CC[NH2+][C@@H](C)C2)cc1F ZINC000055261688 536705748 /nfs/dbraw/zinc/70/57/48/536705748.db2.gz WMOURDOCQRWVJU-VIFPVBQESA-N 1 0 224.279 1.632 10 10 BDCERO C[C@H](O)[C@H](C)[NH2+]Cc1cc(Cl)ccc1O ZINC000309037807 631807198 /nfs/dbraw/zinc/80/71/98/631807198.db2.gz JFPFSMUEXFARNC-YUMQZZPRSA-N 1 0 229.707 1.905 10 10 BDCERO OC[C@@H]1C[C@H]1[NH2+]Cc1cc(F)ccc1O ZINC000308898239 632107978 /nfs/dbraw/zinc/10/79/78/632107978.db2.gz AXGNESFEFCXVSK-WCBMZHEXSA-N 1 0 211.236 1.002 10 10 BDCERO [NH3+][C@H]1CCC[C@H](C(=O)NCc2ccccc2O)C1 ZINC000168403544 633142894 /nfs/dbraw/zinc/14/28/94/633142894.db2.gz XELJMMZJNPWMJB-JQWIXIFHSA-N 1 0 248.326 1.526 10 10 BDCERO CCC[C@H]([NH3+])C(=O)Nc1ccc(N)cc1 ZINC000309503315 633178704 /nfs/dbraw/zinc/17/87/04/633178704.db2.gz VGINBXHONZDKFQ-JTQLQIEISA-N 1 0 207.277 1.335 10 10 BDCERO Cc1cccc(C[NH2+][C@@H]2C[C@H]2CO)c1O ZINC000309051146 633844485 /nfs/dbraw/zinc/84/44/85/633844485.db2.gz REIXYBPXEJSMSF-WDEREUQCSA-N 1 0 207.273 1.171 10 10 BDCERO NC(=O)C1CC([NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000716724873 712571061 /nfs/dbraw/zinc/57/10/61/712571061.db2.gz ZZJOHHPFGSZTEA-VQXHTEKXSA-N 1 0 246.310 1.233 10 10 BDCERO CC[C@H]([NH2+]C1CC(C(N)=O)C1)c1ccccc1O ZINC000716732372 712571592 /nfs/dbraw/zinc/57/15/92/712571592.db2.gz RBUYHCYPMCUARF-CBINBANVSA-N 1 0 248.326 1.697 10 10 BDCERO Cc1ccc(O)c(C[NH2+][C@@H](C)c2cn(C)nn2)c1 ZINC000720597890 712856740 /nfs/dbraw/zinc/85/67/40/712856740.db2.gz XNGKQZUWUPEXAY-JTQLQIEISA-N 1 0 246.314 1.680 10 10 BDCERO Cc1cc(Cl)c(C)c([C@@H]([NH3+])CO)c1O ZINC000072198281 178061029 /nfs/dbraw/zinc/06/10/29/178061029.db2.gz MWBLPJRTGZXREH-QMMMGPOBSA-N 1 0 215.680 1.655 10 10 BDCERO Cc1cc([C@H]([NH3+])CO)c(O)cc1Cl ZINC000072197915 178263292 /nfs/dbraw/zinc/26/32/92/178263292.db2.gz OEXCGUBVASKBAM-MRVPVSSYSA-N 1 0 201.653 1.346 10 10 BDCERO CCOC(=O)C(=C(O)C[N+]#N)c1ccccc1 ZINC000584657988 490178781 /nfs/dbraw/zinc/17/87/81/490178781.db2.gz HOWIAPDITWACRD-NSHDSACASA-N 1 0 232.239 1.203 10 10 BDCERO C[C@H]1CN(c2ccc(N)cc2)C[C@H]1CO ZINC000409433731 350472395 /nfs/dbraw/zinc/47/23/95/350472395.db2.gz ZBTSKTOTORIABK-UWVGGRQHSA-N 1 0 206.289 1.333 10 10 BDCERO Nc1ccc(Br)c([C@@H]2CC[NH2+]2)c1O ZINC000306872913 351267693 /nfs/dbraw/zinc/26/76/93/351267693.db2.gz WGVQKOJARODVFJ-ZETCQYMHSA-N 1 0 243.104 1.771 10 10 BDCERO [NH3+][C@@H](CCO)c1ccc(N2CCCC2)cc1 ZINC000044236253 352223476 /nfs/dbraw/zinc/22/34/76/352223476.db2.gz AWPBEZOTPHPNID-ZDUSSCGKSA-N 1 0 220.316 1.669 10 10 BDCERO C[C@@H]1CC[NH2+][C@H]([C@@H]2CCCC(=O)C2=O)C1 ZINC000130377941 538589905 /nfs/dbraw/zinc/58/99/05/538589905.db2.gz MKIWVDMMNRFFHU-UTLUCORTSA-N 1 0 209.289 1.313 10 10 BDCERO Oc1ccc(C[NH2+][C@H]2CN3CCC2CC3)cc1O ZINC000019946330 183270067 /nfs/dbraw/zinc/27/00/67/183270067.db2.gz UDDWMDAHENZELZ-LBPRGKRZSA-N 1 0 248.326 1.282 10 10 BDCERO Oc1ccc(C[NH2+]Cc2ccccn2)c(O)c1 ZINC000019957177 183271008 /nfs/dbraw/zinc/27/10/08/183271008.db2.gz WZMXRERAPYGDJU-UHFFFAOYSA-N 1 0 230.267 1.783 10 10 BDCERO Oc1cc2c(cc1O)[C@@H]1C[NH2+]CC[C@@H]1CC2 ZINC000027557129 183263418 /nfs/dbraw/zinc/26/34/18/183263418.db2.gz ZNJGHPNNTLGWNL-GZMMTYOYSA-N 1 0 219.284 1.737 10 10 BDCERO CCC[N@H+](Cc1ccc(N)cc1)[C@@H](C)C(N)=O ZINC000035364854 169176189 /nfs/dbraw/zinc/17/61/89/169176189.db2.gz ZLXHFDXLJLQJHK-JTQLQIEISA-N 1 0 235.331 1.355 10 10 BDCERO CCC[N@H+](Cc1ccc(N)cc1)[C@H](CC)C(N)=O ZINC000061677743 169176321 /nfs/dbraw/zinc/17/63/21/169176321.db2.gz YSNVERPVFVGWHS-CYBMUJFWSA-N 1 0 249.358 1.745 10 10 BDCERO Oc1ccccc1C[NH2+][C@H]1CN2CCC1CC2 ZINC000019946453 183302989 /nfs/dbraw/zinc/30/29/89/183302989.db2.gz QLWXALHLFAMGBV-ZDUSSCGKSA-N 1 0 232.327 1.576 10 10 BDCERO CCC[NH2+][C@H]1Cc2ccc(O)c(O)c2C1 ZINC000029229849 169292180 /nfs/dbraw/zinc/29/21/80/169292180.db2.gz IISBDWDWBQBLBK-VIFPVBQESA-N 1 0 207.273 1.565 10 10 BDCERO C[NH2+][C@H](CO)c1ccc2[nH]ccc2c1O ZINC000089204327 383947536 /nfs/dbraw/zinc/94/75/36/383947536.db2.gz OGVKBGIPWAUAFX-SNVBAGLBSA-N 1 0 206.245 1.126 10 10 BDCERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C)c1ccccc1O ZINC000282436658 384274843 /nfs/dbraw/zinc/27/48/43/384274843.db2.gz UGZZXMFPXGMMNM-JBLDHEPKSA-N 1 0 248.326 1.710 10 10 BDCERO NC[C@@H]([NH3+])c1cc(Br)ccc1O ZINC000072201253 384816073 /nfs/dbraw/zinc/81/60/73/384816073.db2.gz QINNUTRHTCDMQB-SSDOTTSWSA-N 1 0 231.093 1.113 10 10 BDCERO COc1cc(O)c([C@@H]2CCC[NH2+]2)c(OC)c1 ZINC000072202345 384820118 /nfs/dbraw/zinc/82/01/18/384820118.db2.gz SFYWFQKIWBNQJD-VIFPVBQESA-N 1 0 223.272 1.834 10 10 BDCERO CC[C@H]1CN(c2ccc(C[NH3+])cc2)CCO1 ZINC000037504498 132344718 /nfs/dbraw/zinc/34/47/18/132344718.db2.gz IYPABGNQBINSFN-ZDUSSCGKSA-N 1 0 220.316 1.761 10 10 BDCERO NC(=[NH2+])NCc1ccc(N2CCCCC2)cc1 ZINC000073640674 132303567 /nfs/dbraw/zinc/30/35/67/132303567.db2.gz HCVDUJLLBLAKNO-UHFFFAOYSA-N 1 0 232.331 1.660 10 10 BDCERO [NH3+][C@H]1CCCN(c2ccc3c(c2)OCCO3)C1 ZINC000033426965 132335845 /nfs/dbraw/zinc/33/58/45/132335845.db2.gz INVWWGSAKZHJIV-JTQLQIEISA-N 1 0 234.299 1.385 10 10 BDCERO C[C@H]1COCCN1c1ccc(C[NH3+])cc1 ZINC000035773380 132339028 /nfs/dbraw/zinc/33/90/28/132339028.db2.gz DCJLLVGAADYMAQ-JTQLQIEISA-N 1 0 206.289 1.370 10 10 BDCERO Cc1cc(C[NH3+])ccc1N1CCO[C@H](C)C1 ZINC000037733138 132345370 /nfs/dbraw/zinc/34/53/70/132345370.db2.gz DTSJMBIFPXOAPE-LLVKDONJSA-N 1 0 220.316 1.679 10 10 BDCERO C[NH2+]Cc1ccc(N2CCC[C@H](CO)C2)c(C)c1 ZINC000050560516 132359119 /nfs/dbraw/zinc/35/91/19/132359119.db2.gz XGLLAHPNYPOBJQ-AWEZNQCLSA-N 1 0 248.370 1.923 10 10 BDCERO Cc1cc(N2CCC(O)CC2)ccc1C[NH3+] ZINC000050581455 132359359 /nfs/dbraw/zinc/35/93/59/132359359.db2.gz LRMFTUWMNITDOE-UHFFFAOYSA-N 1 0 220.316 1.415 10 10 BDCERO CC(C)C[NH2+][C@H](C(N)=O)c1ccc(N(C)C)cc1 ZINC000037946153 167013182 /nfs/dbraw/zinc/01/31/82/167013182.db2.gz DWHIBFXQURZQIR-ZDUSSCGKSA-N 1 0 249.358 1.525 10 10 BDCERO CC(C)[NH2+]C[C@](C)(O)c1ccc(O)c(O)c1 ZINC000039096026 167117576 /nfs/dbraw/zinc/11/75/76/167117576.db2.gz ISMURLINKPBPNT-LBPRGKRZSA-N 1 0 225.288 1.303 10 10 BDCERO CCNC(=O)CCN(C)c1ccc(C[NH3+])cc1 ZINC000051757685 170050611 /nfs/dbraw/zinc/05/06/11/170050611.db2.gz BKBNOCUERYGMRD-UHFFFAOYSA-N 1 0 235.331 1.108 10 10 BDCERO CNC(=O)[C@@H](C)[NH2+]Cc1cc(Cl)ccc1O ZINC000042560526 173295331 /nfs/dbraw/zinc/29/53/31/173295331.db2.gz FUHCBHCNHGRRKC-SSDOTTSWSA-N 1 0 242.706 1.270 10 10 BDCERO COCC[NH2+][C@H](C)c1cc(O)ccc1O ZINC000019881530 174339699 /nfs/dbraw/zinc/33/96/99/174339699.db2.gz FVVKAMRNBAQSSQ-MRVPVSSYSA-N 1 0 211.261 1.395 10 10 BDCERO COc1ccc(CN2CC[NH2+][C@@H](C)C2)c(O)c1 ZINC000083363731 175101524 /nfs/dbraw/zinc/10/15/24/175101524.db2.gz PHFGLYIOKFTUBX-JTQLQIEISA-N 1 0 236.315 1.195 10 10 BDCERO COc1ccc(N(C)[C@H](C)CC[NH3+])c(OC)c1 ZINC000049829388 175135936 /nfs/dbraw/zinc/13/59/36/175135936.db2.gz SQTJIDXMCAYBQY-SNVBAGLBSA-N 1 0 238.331 1.877 10 10 BDCERO COc1ccc(N2CC[C@H](C[NH3+])C2)cc1C ZINC000049530944 175139095 /nfs/dbraw/zinc/13/90/95/175139095.db2.gz XDFDOJIGFOUJRV-LLVKDONJSA-N 1 0 220.316 1.789 10 10 BDCERO C[C@H]([NH3+])C(C)(C)c1cc(O)c(O)cc1N ZINC000169331233 176754951 /nfs/dbraw/zinc/75/49/51/176754951.db2.gz NUUGAIRKWGVVKJ-LURJTMIESA-N 1 0 210.277 1.305 10 10 BDCERO C[C@H](c1cc(O)ccc1O)N1CCC[NH2+]CC1 ZINC000038086827 177031462 /nfs/dbraw/zinc/03/14/62/177031462.db2.gz IBZDYBVNBHBQPP-SNVBAGLBSA-N 1 0 236.315 1.454 10 10 BDCERO C[C@H]1CN(Cc2c(O)cccc2Cl)C[C@@H]1[NH3+] ZINC000235678790 632813062 /nfs/dbraw/zinc/81/30/62/632813062.db2.gz ROEUHOPQVGYQPW-KWQFWETISA-N 1 0 240.734 1.825 10 10 BDCERO C[C@@H]1[C@@H]([NH3+])CCN1Cc1cc(F)ccc1O ZINC000309298640 632907504 /nfs/dbraw/zinc/90/75/04/632907504.db2.gz LLFXGINCFXYSRX-KCJUWKMLSA-N 1 0 224.279 1.453 10 10 BDCERO C[C@H]1[C@H]([NH3+])CCN1Cc1cc(F)ccc1O ZINC000309298637 632907530 /nfs/dbraw/zinc/90/75/30/632907530.db2.gz LLFXGINCFXYSRX-GZMMTYOYSA-N 1 0 224.279 1.453 10 10 BDCERO [NH3+]C1CCC(C(=O)NCc2ccccc2O)CC1 ZINC000228422105 640874142 /nfs/dbraw/zinc/87/41/42/640874142.db2.gz VGTXFGYIJJJKDM-UHFFFAOYSA-N 1 0 248.326 1.526 10 10 BDCERO CN(C)c1ccc(C[NH2+]C2CC(CO)C2)cc1 ZINC000705188172 712125725 /nfs/dbraw/zinc/12/57/25/712125725.db2.gz ROPONDRHRBJZHK-UHFFFAOYSA-N 1 0 234.343 1.613 10 10 BDCERO N[C@H](c1ccccc1O)[C@@H]([NH3+])c1ccccc1O ZINC000022457414 343049474 /nfs/dbraw/zinc/04/94/74/343049474.db2.gz MRNPLGLZBUDMRE-OKILXGFUSA-N 1 0 244.294 1.798 10 10 BDCERO [NH3+][C@H](CO)c1cccc(OC(F)(F)F)c1O ZINC000072198808 343068584 /nfs/dbraw/zinc/06/85/84/343068584.db2.gz KMTSQQCJICCHPQ-ZCFIWIBFSA-N 1 0 237.177 1.283 10 10 BDCERO NC[C@H]([NH3+])c1c(O)ccc2ccccc21 ZINC000072200600 343069032 /nfs/dbraw/zinc/06/90/32/343069032.db2.gz MKZQJRQOTMJVNJ-JTQLQIEISA-N 1 0 202.257 1.504 10 10 BDCERO CN(C)c1ccc([C@H]([NH3+])CCO)c(Cl)c1 ZINC000044234553 344987709 /nfs/dbraw/zinc/98/77/09/344987709.db2.gz CYXJANYDEHDAGY-LLVKDONJSA-N 1 0 228.723 1.788 10 10 BDCERO CN(C)c1ccc([C@@H]([NH3+])CCO)c(Cl)c1 ZINC000044234557 344987926 /nfs/dbraw/zinc/98/79/26/344987926.db2.gz CYXJANYDEHDAGY-NSHDSACASA-N 1 0 228.723 1.788 10 10 BDCERO [NH3+][C@H](Cn1cccn1)c1ccccc1O ZINC000011848820 345031522 /nfs/dbraw/zinc/03/15/22/345031522.db2.gz KOAXYXWJDXQNJX-SNVBAGLBSA-N 1 0 203.245 1.289 10 10 BDCERO Nc1ccc(Br)c([C@H]([NH3+])CF)c1O ZINC000307017273 351423214 /nfs/dbraw/zinc/42/32/14/351423214.db2.gz VXLXDLMFVDMRSJ-ZCFIWIBFSA-N 1 0 249.083 1.706 10 10 BDCERO N=[N+]=CC(=O)CCNC(=S)Nc1ccccc1 ZINC000096291066 181207670 /nfs/dbraw/zinc/20/76/70/181207670.db2.gz VDCPYZBGBKSRPP-UHFFFAOYSA-O 1 0 249.319 1.242 10 10 BDCERO C[C@@H]1CC[NH2+][C@@H]([C@@H]2CCCC(=O)C2=O)C1 ZINC000130378373 538588419 /nfs/dbraw/zinc/58/84/19/538588419.db2.gz MKIWVDMMNRFFHU-KXUCPTDWSA-N 1 0 209.289 1.313 10 10 BDCERO C[C@@H]1CCC[C@@H]([C@@H]2CCCC(=O)C2=O)[NH2+]1 ZINC000130379265 538588823 /nfs/dbraw/zinc/58/88/23/538588823.db2.gz AKLOMWPYVUZNHM-UTLUCORTSA-N 1 0 209.289 1.455 10 10 BDCERO Cc1ccc(C)n1-c1cc(C[NH3+])n(C)n1 ZINC000584619534 358286186 /nfs/dbraw/zinc/28/61/86/358286186.db2.gz UAUHCMSFOFVINR-UHFFFAOYSA-N 1 0 204.277 1.286 10 10 BDCERO CC[NH2+]Cc1cc(O)c(O)c(Cl)c1 ZINC000306304733 359587750 /nfs/dbraw/zinc/58/77/50/359587750.db2.gz IOYQSPAHHQODLT-UHFFFAOYSA-N 1 0 201.653 1.861 10 10 BDCERO [NH3+]Cc1cc(OC(F)(F)F)ccc1O ZINC000038258764 364291030 /nfs/dbraw/zinc/29/10/30/364291030.db2.gz NIJPYMIFXMKSQQ-UHFFFAOYSA-N 1 0 207.151 1.750 10 10 BDCERO [NH3+]C[C@@H]1CCN(c2ccc3c(c2)OCCCO3)C1 ZINC000019432667 181434342 /nfs/dbraw/zinc/43/43/42/181434342.db2.gz WIEFTTSHGATSDH-NSHDSACASA-N 1 0 248.326 1.633 10 10 BDCERO O[C@H]1CCC[C@H]1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000089162746 183238642 /nfs/dbraw/zinc/23/86/42/183238642.db2.gz RJLDIOUALLSFRB-KBPBESRZSA-N 1 0 247.338 1.872 10 10 BDCERO Oc1ccc(C[NH2+]C2CCC(O)CC2)cc1O ZINC000019918563 183269199 /nfs/dbraw/zinc/26/91/99/183269199.db2.gz VQWZVMHTWIQPFZ-UHFFFAOYSA-N 1 0 237.299 1.491 10 10 BDCERO Oc1ccc(C[NH2+]CC2CCC2)c(O)c1 ZINC000037180160 183270388 /nfs/dbraw/zinc/27/03/88/183270388.db2.gz WCKPIPWGRIVBJG-UHFFFAOYSA-N 1 0 207.273 1.988 10 10 BDCERO Oc1ccc(C[NH2+]C[C@H]2CCCO2)c(O)c1O ZINC000083366875 183271047 /nfs/dbraw/zinc/27/10/47/183271047.db2.gz BJKWZTGPINFBFO-SECBINFHSA-N 1 0 239.271 1.072 10 10 BDCERO Oc1ccc2ccccc2c1CN1CC[NH2+]CC1 ZINC000038086703 183285105 /nfs/dbraw/zinc/28/51/05/183285105.db2.gz FESLTMZRXVQHLG-UHFFFAOYSA-N 1 0 242.322 1.951 10 10 BDCERO Oc1cccc(C[NH2+]CCCn2ccnc2)c1O ZINC000041116767 183289873 /nfs/dbraw/zinc/28/98/73/183289873.db2.gz BSAPTKYNVIFPOE-UHFFFAOYSA-N 1 0 247.298 1.474 10 10 BDCERO c1cc2c(cc1N1CCC[NH2+]CC1)OCCCO2 ZINC000042325568 183369467 /nfs/dbraw/zinc/36/94/67/183369467.db2.gz AGJRWQNPECOGHT-UHFFFAOYSA-N 1 0 248.326 1.648 10 10 BDCERO Cc1ccc(O)c(C[NH2+][C@@H]2CCC(=O)N[C@H]2C)c1 ZINC000282434976 384276687 /nfs/dbraw/zinc/27/66/87/384276687.db2.gz RPKOIDUOHXJEPS-CMPLNLGQSA-N 1 0 248.326 1.457 10 10 BDCERO C[C@H](NC(=O)OCc1ccccc1)C(=O)C=[N+]=N ZINC000575408911 387011294 /nfs/dbraw/zinc/01/12/94/387011294.db2.gz RZEABXDLVCUFJF-VIFPVBQESA-O 1 0 248.262 1.180 10 10 BDCERO Cc1cnn(CC[NH2+]Cc2cccc(C)c2O)c1 ZINC000224792101 387938799 /nfs/dbraw/zinc/93/87/99/387938799.db2.gz BSZFHHWKWZLRLN-UHFFFAOYSA-N 1 0 245.326 1.995 10 10 BDCERO C[C@@H]([NH3+])c1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000035438923 132338151 /nfs/dbraw/zinc/33/81/51/132338151.db2.gz GBMSNGYZZBJNHI-PWSUYJOCSA-N 1 0 247.342 1.408 10 10 BDCERO CC(C)[NH2+]C[C@@](C)(O)c1ccc(O)c(O)c1 ZINC000039096028 167114093 /nfs/dbraw/zinc/11/40/93/167114093.db2.gz ISMURLINKPBPNT-GFCCVEGCSA-N 1 0 225.288 1.303 10 10 BDCERO CC(C)[NH2+]C[C@H](O)c1cccc(O)c1O ZINC000169331183 167115472 /nfs/dbraw/zinc/11/54/72/167115472.db2.gz OXKUBEGCUWJYFV-JTQLQIEISA-N 1 0 211.261 1.129 10 10 BDCERO CC(C)[NH2+]C[C@H]1NCCc2cc(O)c(O)cc21 ZINC000027560034 167117705 /nfs/dbraw/zinc/11/77/05/167117705.db2.gz MSFCPVGOFOWBQN-LLVKDONJSA-N 1 0 236.315 1.283 10 10 BDCERO CC[NH2+]Cc1ccc(N(CC)CCO)c(F)c1 ZINC000037900380 170127194 /nfs/dbraw/zinc/12/71/94/170127194.db2.gz BXLLLBTWXGYLID-UHFFFAOYSA-N 1 0 240.322 1.754 10 10 BDCERO CC[NH2+][C@@H](C)C(=O)c1ccc(O)c(O)c1 ZINC000033610781 170138179 /nfs/dbraw/zinc/13/81/79/170138179.db2.gz MMTPCMCJFNWHLO-ZETCQYMHSA-N 1 0 209.245 1.279 10 10 BDCERO CCOC(=O)CC[NH2+]Cc1ccc(O)c(O)c1 ZINC000045685541 170209070 /nfs/dbraw/zinc/20/90/70/170209070.db2.gz CSIVTOFRZRSUKL-UHFFFAOYSA-N 1 0 239.271 1.141 10 10 BDCERO CCOC(=O)CC[NH2+]Cc1cccc(C)c1O ZINC000083364802 170209287 /nfs/dbraw/zinc/20/92/87/170209287.db2.gz YCSAKEYCNUFMMN-UHFFFAOYSA-N 1 0 237.299 1.743 10 10 BDCERO CN(C)c1ccc([C@@H]2NC(=O)CC[C@H]2[NH3+])cc1 ZINC000057522427 172560557 /nfs/dbraw/zinc/56/05/57/172560557.db2.gz NEVCFBVKCOWICR-YPMHNXCESA-N 1 0 233.315 1.031 10 10 BDCERO CNC(=O)[C@@H](C)N(c1ccc(C[NH3+])cc1)C1CC1 ZINC000034655504 173294059 /nfs/dbraw/zinc/29/40/59/173294059.db2.gz GHUKAPRJBULRRK-SNVBAGLBSA-N 1 0 247.342 1.249 10 10 BDCERO C[NH2+]CCN(C)c1c(C)cc(OC)cc1OC ZINC000077384017 173353625 /nfs/dbraw/zinc/35/36/25/173353625.db2.gz IGBSQCYNVYRJBZ-UHFFFAOYSA-N 1 0 238.331 1.668 10 10 BDCERO COc1cc(OC)c(N(C)CC[NH3+])cc1OC ZINC000096890348 175007201 /nfs/dbraw/zinc/00/72/01/175007201.db2.gz FVUHLPWNTNMZRS-UHFFFAOYSA-N 1 0 240.303 1.107 10 10 BDCERO COc1ccc(N(C)[C@H](C)CC[NH3+])cc1OC ZINC000049829393 175136588 /nfs/dbraw/zinc/13/65/88/175136588.db2.gz DDHOXIZHWAKJBE-SNVBAGLBSA-N 1 0 238.331 1.877 10 10 BDCERO COc1ccc(N2CC[NH2+][C@H](C)CC2)cc1 ZINC000049660723 175139657 /nfs/dbraw/zinc/13/96/57/175139657.db2.gz QEMUEHCUMHSXAL-LLVKDONJSA-N 1 0 220.316 1.883 10 10 BDCERO COc1ccc(N2CC[NH2+]C[C@@H](C)C2)cc1 ZINC000049660719 175139665 /nfs/dbraw/zinc/13/96/65/175139665.db2.gz GPAURPAKHWVRAW-LLVKDONJSA-N 1 0 220.316 1.741 10 10 BDCERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)N(C)Cc1ccccc1O ZINC000104207929 176328710 /nfs/dbraw/zinc/32/87/10/176328710.db2.gz NTGLCUVTNDRKRK-PWSUYJOCSA-N 1 0 248.326 1.206 10 10 BDCERO C[C@H](C[N@H+](Cc1ccc(N)cc1)C1CC1)C(N)=O ZINC000035081128 176655006 /nfs/dbraw/zinc/65/50/06/176655006.db2.gz CMDJGRRXXOLHRP-SNVBAGLBSA-N 1 0 247.342 1.355 10 10 BDCERO C[C@H]([NH2+]Cc1cn[nH]c1)c1ccc(O)cc1O ZINC000038005828 176881652 /nfs/dbraw/zinc/88/16/52/176881652.db2.gz VGQIIFWTLWODFH-QMMMGPOBSA-N 1 0 233.271 1.672 10 10 BDCERO C[C@H](c1ccc(O)cc1O)N1CCC[NH2+]CC1 ZINC000038086975 177035669 /nfs/dbraw/zinc/03/56/69/177035669.db2.gz GBGWFZQZZJFWCY-SNVBAGLBSA-N 1 0 236.315 1.454 10 10 BDCERO C[C@H](c1ccccc1O)N1CCC[C@H]([NH3+])C1 ZINC000041027889 177043211 /nfs/dbraw/zinc/04/32/11/177043211.db2.gz WYXIEKSLFIBGBN-MNOVXSKESA-N 1 0 220.316 1.876 10 10 BDCERO C[C@H]1C[NH2+]CCN1c1ccc2c(c1)OCCO2 ZINC000041263090 177284835 /nfs/dbraw/zinc/28/48/35/177284835.db2.gz RVIQDNARGAHLCX-JTQLQIEISA-N 1 0 234.299 1.256 10 10 BDCERO Cc1ccc(O)c(CN2C[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000235684669 632813840 /nfs/dbraw/zinc/81/38/40/632813840.db2.gz ZKHSCGZQBRARRE-JQWIXIFHSA-N 1 0 220.316 1.480 10 10 BDCERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)NCc1ccccc1O ZINC000166201371 633108774 /nfs/dbraw/zinc/10/87/74/633108774.db2.gz XXUFWINDTMJFRH-PWSUYJOCSA-N 1 0 248.326 1.383 10 10 BDCERO CCc1cccc(C[NH2+]C2CC(C(N)=O)C2)c1O ZINC000716717135 712570881 /nfs/dbraw/zinc/57/08/81/712570881.db2.gz OTLULYHSWDKIPL-UHFFFAOYSA-N 1 0 248.326 1.308 10 10 BDCERO Cc1cccc(C[NH2+][C@@H](C)c2cn(C)nn2)c1O ZINC000720593773 712856691 /nfs/dbraw/zinc/85/66/91/712856691.db2.gz BQHRSSRNPDPJGG-JTQLQIEISA-N 1 0 246.314 1.680 10 10 BDCERO [NH3+][C@@H](CO)c1cc(OC(F)(F)F)ccc1O ZINC000072198805 343068420 /nfs/dbraw/zinc/06/84/20/343068420.db2.gz JJTSXUIZRMJRJY-ZETCQYMHSA-N 1 0 237.177 1.283 10 10 BDCERO CCN(CC)c1ccc([C@H]([NH3+])CN)c(O)c1 ZINC000072201085 343069716 /nfs/dbraw/zinc/06/97/16/343069716.db2.gz SSZCECVFRVMQQR-LLVKDONJSA-N 1 0 223.320 1.197 10 10 BDCERO [NH3+][C@H](CCO)c1cc(Br)ccc1O ZINC000044232150 344988252 /nfs/dbraw/zinc/98/82/52/344988252.db2.gz YWXCAUMAAUBFGO-MRVPVSSYSA-N 1 0 246.104 1.537 10 10 BDCERO Cc1cccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C)c1O ZINC000281863230 179097842 /nfs/dbraw/zinc/09/78/42/179097842.db2.gz VPAYOEHNRBNOTP-CMPLNLGQSA-N 1 0 248.326 1.457 10 10 BDCERO Oc1ccc([C@@H]2C[C@H]3CC[C@@H]2[NH2+]C3)cc1O ZINC000199486625 349227015 /nfs/dbraw/zinc/22/70/15/349227015.db2.gz ZVZVYRRINSMMFC-MIMYLULJSA-N 1 0 219.284 1.953 10 10 BDCERO [NH3+][C@H](CCO)c1c(O)ccc2ccccc21 ZINC000044232338 352222074 /nfs/dbraw/zinc/22/20/74/352222074.db2.gz OEHIZHGSHAXBCJ-LLVKDONJSA-N 1 0 217.268 1.928 10 10 BDCERO Oc1ccc([C@@H](O)C[NH2+]C2CCC2)cc1O ZINC000006092147 355858104 /nfs/dbraw/zinc/85/81/04/355858104.db2.gz OVTZNVCECJYMDW-LBPRGKRZSA-N 1 0 223.272 1.273 10 10 in-man BDCERO C[C@@H]1CCC[C@H]([C@@H]2CCCC(=O)C2=O)[NH2+]1 ZINC000130378832 538587906 /nfs/dbraw/zinc/58/79/06/538587906.db2.gz AKLOMWPYVUZNHM-KXUCPTDWSA-N 1 0 209.289 1.455 10 10 BDCERO CCCN(CC(=O)NC)c1ccc(C[NH2+]C)cc1 ZINC000042405564 169096486 /nfs/dbraw/zinc/09/64/86/169096486.db2.gz CNWHEPGDIHUOBI-UHFFFAOYSA-N 1 0 249.358 1.368 10 10 BDCERO Oc1cccc(C[NH2+]Cc2cn[nH]c2)c1O ZINC000041049442 183290867 /nfs/dbraw/zinc/29/08/67/183290867.db2.gz IHRHKSKFMZLGMI-UHFFFAOYSA-N 1 0 219.244 1.111 10 10 BDCERO Oc1ccccc1C[NH2+]CCN1CCCCC1 ZINC000049574477 183303697 /nfs/dbraw/zinc/30/36/97/183303697.db2.gz PNHUAUOEQCYIMZ-UHFFFAOYSA-N 1 0 234.343 1.968 10 10 BDCERO Oc1ccccc1C[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000037165064 183303837 /nfs/dbraw/zinc/30/38/37/183303837.db2.gz CLVFNBRIOCWJEX-NEPJUHHUSA-N 1 0 221.300 1.785 10 10 BDCERO Oc1ccccc1C[NH2+]C[C@H]1CCC[C@H]1O ZINC000084228024 183304146 /nfs/dbraw/zinc/30/41/46/183304146.db2.gz LOJOXOOXHQVLSA-DGCLKSJQSA-N 1 0 221.300 1.643 10 10 BDCERO Nc1ccc(N2C[C@@H](CO)C3(CCC3)C2)cc1 ZINC000409434833 383838936 /nfs/dbraw/zinc/83/89/36/383838936.db2.gz QUJPRVLYODZQPN-NSHDSACASA-N 1 0 232.327 1.868 10 10 BDCERO Cc1cccc(C[NH2+]CC2CC(O)C2)c1O ZINC000165169521 384022860 /nfs/dbraw/zinc/02/28/60/384022860.db2.gz CYAUKCIUWAERDP-UHFFFAOYSA-N 1 0 221.300 1.561 10 10 BDCERO CCO[C@@H](c1ccc(O)c(O)c1)[C@@H](C)[NH3+] ZINC000039100435 384104131 /nfs/dbraw/zinc/10/41/31/384104131.db2.gz LGHHPMLYUUFKNB-RDDDGLTNSA-N 1 0 211.261 1.523 10 10 BDCERO Cc1ccc(O)c(C[NH2+][C@H]2CCC(=O)N[C@@H]2C)c1 ZINC000282434978 384275223 /nfs/dbraw/zinc/27/52/23/384275223.db2.gz RPKOIDUOHXJEPS-PWSUYJOCSA-N 1 0 248.326 1.457 10 10 BDCERO CC(C)(C)OC(=O)[C@H](N)c1ccccc1O ZINC000095934929 384412177 /nfs/dbraw/zinc/41/21/77/384412177.db2.gz GPSKLEHIZRFCKB-SNVBAGLBSA-N 1 0 223.272 1.734 10 10 BDCERO CCN(C)c1c(F)cc(C[NH3+])cc1F ZINC000062710088 384991099 /nfs/dbraw/zinc/99/10/99/384991099.db2.gz CZNBVXROPJHCAE-UHFFFAOYSA-N 1 0 200.232 1.880 10 10 BDCERO [NH3+][C@H](CC(F)F)c1ccc(O)c(O)c1 ZINC000575437756 387111006 /nfs/dbraw/zinc/11/10/06/387111006.db2.gz SLOUFIIIPTYTES-ZCFIWIBFSA-N 1 0 203.188 1.753 10 10 BDCERO C[NH2+]Cc1ccc(N2CCOC[C@@H]2C)cc1 ZINC000035777818 132339433 /nfs/dbraw/zinc/33/94/33/132339433.db2.gz JPQNMJXNMLHFSA-NSHDSACASA-N 1 0 220.316 1.631 10 10 BDCERO C[C@H]1COCCN1c1ccc(C[NH3+])cc1F ZINC000035777873 132339473 /nfs/dbraw/zinc/33/94/73/132339473.db2.gz XITWNRQGVOHSNV-VIFPVBQESA-N 1 0 224.279 1.510 10 10 BDCERO Cc1cc(C[NH3+])ccc1N1CCC[C@@H](CO)C1 ZINC000037733275 132345251 /nfs/dbraw/zinc/34/52/51/132345251.db2.gz YIOYTZJYLVVSMY-CYBMUJFWSA-N 1 0 234.343 1.662 10 10 BDCERO Cc1cc(C[NH3+])ccc1N1CCOC[C@H]1C ZINC000037733223 132345433 /nfs/dbraw/zinc/34/54/33/132345433.db2.gz NMVBKIWZOMVOAX-LLVKDONJSA-N 1 0 220.316 1.679 10 10 BDCERO C[C@H]1C[NH2+]CCN1c1ccc2c(c1)OCO2 ZINC000041233952 132349834 /nfs/dbraw/zinc/34/98/34/132349834.db2.gz RGSMDXXMJIMHCB-VIFPVBQESA-N 1 0 220.272 1.213 10 10 BDCERO C[C@@H]([NH3+])c1ccc(N2CCS(=O)CC2)cc1 ZINC000049691900 132356294 /nfs/dbraw/zinc/35/62/94/132356294.db2.gz IHCLFJHXZJFGGO-SNVBAGLBSA-N 1 0 238.356 1.275 10 10 BDCERO C[C@H]1CN(c2ccc3c(c2)OCCO3)CC[NH2+]1 ZINC000054348301 132364075 /nfs/dbraw/zinc/36/40/75/132364075.db2.gz MDXZBXLPZOYLQU-JTQLQIEISA-N 1 0 234.299 1.256 10 10 BDCERO [NH3+]Cc1ccc(N2CCC3(CC2)OCCO3)cc1 ZINC000062153002 132387526 /nfs/dbraw/zinc/38/75/26/132387526.db2.gz OKEDUNDSSGCHQA-UHFFFAOYSA-N 1 0 248.326 1.489 10 10 BDCERO [NH3+]Cc1ccc(N2CCC[C@H](O)C2)c(Cl)c1 ZINC000062792914 132388568 /nfs/dbraw/zinc/38/85/68/132388568.db2.gz TWKSWGYJVOGPND-JTQLQIEISA-N 1 0 240.734 1.760 10 10 BDCERO CC[NH2+][C@H]1c2ccc(N(C)C3CC3)cc2NC1=O ZINC000036194551 170149728 /nfs/dbraw/zinc/14/97/28/170149728.db2.gz QGNAOWBUEHKCBL-ZDUSSCGKSA-N 1 0 245.326 1.888 10 10 BDCERO CCOC(=O)CC[NH2+]Cc1cccc(O)c1O ZINC000045689038 170209431 /nfs/dbraw/zinc/20/94/31/170209431.db2.gz XAUALOWFHXBINS-UHFFFAOYSA-N 1 0 239.271 1.141 10 10 BDCERO CN1CC[C@H]([NH2+]Cc2ccc3c(c2)CCN3C)C1 ZINC000050286819 173152991 /nfs/dbraw/zinc/15/29/91/173152991.db2.gz XXCMAHBBOZJSGE-AWEZNQCLSA-N 1 0 245.370 1.473 10 10 BDCERO CN1CCc2cc([C@@H](C[NH3+])N3CCCC3)ccc21 ZINC000034936240 173171518 /nfs/dbraw/zinc/17/15/18/173171518.db2.gz JBQRHIFZTANXKI-OAHLLOKOSA-N 1 0 245.370 1.775 10 10 BDCERO CNC(=O)C[NH2+][C@H](C)c1ccc(C)cc1O ZINC000037224709 173278052 /nfs/dbraw/zinc/27/80/52/173278052.db2.gz SANVYRJLAVKRPE-SECBINFHSA-N 1 0 222.288 1.097 10 10 BDCERO CNC(=O)[C@@H]1CCCN1c1ccc(C[NH3+])cc1C ZINC000042390775 173299027 /nfs/dbraw/zinc/29/90/27/173299027.db2.gz KKCRMNMSYJNGDK-ZDUSSCGKSA-N 1 0 247.342 1.169 10 10 BDCERO CNC(=O)[C@H]1CCCN1c1ccc(C[NH3+])cc1C ZINC000042390772 173307552 /nfs/dbraw/zinc/30/75/52/173307552.db2.gz KKCRMNMSYJNGDK-CYBMUJFWSA-N 1 0 247.342 1.169 10 10 BDCERO C[NH2+]Cc1ccc(N2[C@@H]3CC[C@H]2CC(O)C3)cc1 ZINC000104276613 173388716 /nfs/dbraw/zinc/38/87/16/173388716.db2.gz FGEZXMRGYMXKKC-YIONKMFJSA-N 1 0 246.354 1.898 10 10 BDCERO C[NH2+]Cc1ccc(N2CCC[C@@H]2C(N)=O)c(C)c1 ZINC000050560038 173388747 /nfs/dbraw/zinc/38/87/47/173388747.db2.gz ZNXQVJVYSWQHJU-CYBMUJFWSA-N 1 0 247.342 1.169 10 10 BDCERO COCCCN(C)c1ccc2c(c1)NC(=O)[C@@H]2[NH3+] ZINC000062032102 174220773 /nfs/dbraw/zinc/22/07/73/174220773.db2.gz YJDSVUXJLVFJBB-GFCCVEGCSA-N 1 0 249.314 1.111 10 10 BDCERO COCCC[NH2+]Cc1cccc(O)c1O ZINC000041049395 174248709 /nfs/dbraw/zinc/24/87/09/174248709.db2.gz GBZCJYAJFOAVBU-UHFFFAOYSA-N 1 0 211.261 1.224 10 10 BDCERO COCC[NH2+]Cc1cc(F)c(N(C)C)c(F)c1 ZINC000062734871 174335047 /nfs/dbraw/zinc/33/50/47/174335047.db2.gz LMEVSZUETDIESZ-UHFFFAOYSA-N 1 0 244.285 1.767 10 10 BDCERO COc1ccc(N(C)C[C@@H](C)C[NH3+])cc1 ZINC000049814332 175136584 /nfs/dbraw/zinc/13/65/84/175136584.db2.gz IKBSBZCYSMVRQQ-JTQLQIEISA-N 1 0 208.305 1.726 10 10 BDCERO COc1ccc(N(C)[C@@H](C)CC[NH3+])cc1OC ZINC000049829392 175136730 /nfs/dbraw/zinc/13/67/30/175136730.db2.gz DDHOXIZHWAKJBE-JTQLQIEISA-N 1 0 238.331 1.877 10 10 BDCERO C[C@H](C[NH3+])C(=O)N(C)[C@@H](C)c1ccccc1O ZINC000054342227 176024494 /nfs/dbraw/zinc/02/44/94/176024494.db2.gz GJPOZLPCBGIDOP-ZJUUUORDSA-N 1 0 236.315 1.506 10 10 BDCERO C[C@@H]([NH3+])C(=O)N(C)[C@@H](C)c1ccccc1O ZINC000037826517 176025136 /nfs/dbraw/zinc/02/51/36/176025136.db2.gz KHVVSTKHICIVNV-BDAKNGLRSA-N 1 0 222.288 1.259 10 10 BDCERO C[C@@H]1C[NH2+]C[C@@H](c2ccc(O)c(O)c2)O1 ZINC000033639348 176328837 /nfs/dbraw/zinc/32/88/37/176328837.db2.gz HEISVMTVCWTFNN-HQJQHLMTSA-N 1 0 209.245 1.147 10 10 BDCERO C[C@H]([NH3+])c1ccc(N(CCO)C2CC2)c(F)c1 ZINC000042479828 176776702 /nfs/dbraw/zinc/77/67/02/176776702.db2.gz JUZAASGAVGZEMZ-VIFPVBQESA-N 1 0 238.306 1.807 10 10 BDCERO C[C@@H]1C[N@@H+](Cc2cc(N)ccc2O)C[C@H](C)O1 ZINC000037272115 177260752 /nfs/dbraw/zinc/26/07/52/177260752.db2.gz UEKDYCSYWMCJMV-AOOOYVTPSA-N 1 0 236.315 1.584 10 10 BDCERO CC[NH2+]Cc1ccc(N2CCOCC2)c(C)c1 ZINC000050559700 535478477 /nfs/dbraw/zinc/47/84/77/535478477.db2.gz UFWROJSMIFHXPO-UHFFFAOYSA-N 1 0 234.343 1.941 10 10 BDCERO CC[C@@H]1C[NH2+]CCN1c1ccc2c(c1)OCCO2 ZINC000083378813 535825243 /nfs/dbraw/zinc/82/52/43/535825243.db2.gz OXKUPJYCHGXLFZ-LLVKDONJSA-N 1 0 248.326 1.646 10 10 BDCERO COc1ccc(N2CCN([C@@H](C)C[NH3+])CC2)cc1 ZINC000019401028 536700545 /nfs/dbraw/zinc/70/05/45/536700545.db2.gz NTTSYTCKZDFXNZ-LBPRGKRZSA-N 1 0 249.358 1.164 10 10 BDCERO CN(C)c1ccc(CN2CCC[C@H]2C[NH3+])cc1 ZINC000131377674 591605324 /nfs/dbraw/zinc/60/53/24/591605324.db2.gz NNMLTIGJXBQIBN-AWEZNQCLSA-N 1 0 233.359 1.676 10 10 BDCERO C[C@H]1CN(Cc2ccc(N(C)C)cc2)C[C@H]1[NH3+] ZINC000300048539 592501017 /nfs/dbraw/zinc/50/10/17/592501017.db2.gz LBKIXPNWTVAPAT-SMDDNHRTSA-N 1 0 233.359 1.532 10 10 BDCERO C[C@@H]1CN(Cc2cc(F)ccc2O)C[C@@H]1[NH3+] ZINC000235348403 635573518 /nfs/dbraw/zinc/57/35/18/635573518.db2.gz ZDRICQJKBPTZCJ-KCJUWKMLSA-N 1 0 224.279 1.310 10 10 BDCERO COC1CC([NH2+]Cc2cc(F)ccc2O)C1 ZINC000230689903 641087754 /nfs/dbraw/zinc/08/77/54/641087754.db2.gz JTLMXRHDDTWNHC-UHFFFAOYSA-N 1 0 225.263 1.798 10 10 BDCERO COCC1CC([NH2+]Cc2ccccc2O)C1 ZINC000713917327 712472756 /nfs/dbraw/zinc/47/27/56/712472756.db2.gz NWCCLQIAIYPTPB-UHFFFAOYSA-N 1 0 221.300 1.907 10 10 BDCERO Cc1cccc(C[NH2+]C[C@@H]2CC(=O)N(C)C2)c1O ZINC000723570182 710728797 /nfs/dbraw/zinc/72/87/97/710728797.db2.gz CPWWGLGQVRSNOD-NSHDSACASA-N 1 0 248.326 1.269 10 10 BDCERO Oc1cccc2c1[C@H]([NH2+][C@H]1CCOC[C@H]1O)CC2 ZINC000706726488 712153506 /nfs/dbraw/zinc/15/35/06/712153506.db2.gz BSQITMFZXUSZIA-DMDPSCGWSA-N 1 0 249.310 1.119 10 10 BDCERO CN(C)c1ccc(C[NH2+]C2CC(C(N)=O)C2)cc1 ZINC000716724280 712571040 /nfs/dbraw/zinc/57/10/40/712571040.db2.gz UVBCMJILQRBJPB-UHFFFAOYSA-N 1 0 247.342 1.106 10 10 BDCERO OC[C@@H]1C[C@H]1[NH2+]Cc1c(O)cccc1Cl ZINC000380007425 712669787 /nfs/dbraw/zinc/66/97/87/712669787.db2.gz PTWYWAHRJZTKAH-OIBJUYFYSA-N 1 0 227.691 1.516 10 10 BDCERO C[N+](C)(C)CCNCc1ccc(N)cc1 ZINC000141148683 717152274 /nfs/dbraw/zinc/15/22/74/717152274.db2.gz PUOHCKVURKRHBN-UHFFFAOYSA-N 1 0 208.329 1.065 10 10 BDCERO CCN(CC)c1ccc([C@@H]([NH3+])CO)c(O)c1 ZINC000072198500 343069026 /nfs/dbraw/zinc/06/90/26/343069026.db2.gz ACOCNCFXRPTYOC-NSHDSACASA-N 1 0 224.304 1.231 10 10 BDCERO C[NH+](C)Cc1cc2c(cc1O)CCC(=O)N2 ZINC000039098237 343382258 /nfs/dbraw/zinc/38/22/58/343382258.db2.gz AIYJEVVEFPRIMM-UHFFFAOYSA-N 1 0 220.272 1.339 10 10 BDCERO Cc1cc(Cl)cc([C@H]([NH3+])CCO)c1O ZINC000044233343 344989148 /nfs/dbraw/zinc/98/91/48/344989148.db2.gz IVMXBZOPGPBXSI-SECBINFHSA-N 1 0 215.680 1.736 10 10 BDCERO Cc1nccn1C[C@@H]([NH3+])c1ccccc1O ZINC000011848617 180265000 /nfs/dbraw/zinc/26/50/00/180265000.db2.gz YSXGTNRFUMGTNO-LLVKDONJSA-N 1 0 217.272 1.597 10 10 BDCERO Cc1nccn1C[C@@H]([NH3+])c1ccc(O)c(O)c1 ZINC000011848621 180265301 /nfs/dbraw/zinc/26/53/01/180265301.db2.gz SBPVQEKBLHPLJY-SNVBAGLBSA-N 1 0 233.271 1.303 10 10 BDCERO c1c[nH]c([C@@H]2CNc3ccccc3N2)n1 ZINC000616689402 369112723 /nfs/dbraw/zinc/11/27/23/369112723.db2.gz FRGCKZIZWGLDBS-JTQLQIEISA-N 1 0 200.245 1.988 10 10 BDCERO Oc1ccc(C[NH2+]C[C@H]2CCCO2)c(O)c1 ZINC000019963469 183270755 /nfs/dbraw/zinc/27/07/55/183270755.db2.gz MKAXLQAQLKDGMB-LLVKDONJSA-N 1 0 223.272 1.366 10 10 BDCERO Oc1cc2c(cc1C[NH2+]Cc1cn[nH]c1)OCO2 ZINC000042880265 183261896 /nfs/dbraw/zinc/26/18/96/183261896.db2.gz CYOUYWOWRCPKHP-UHFFFAOYSA-N 1 0 247.254 1.134 10 10 BDCERO Oc1ccc2c(c1O)CC[C@]21CC[NH2+]C1 ZINC000039096576 183283254 /nfs/dbraw/zinc/28/32/54/183283254.db2.gz MUIJRCOJLZWZPX-GFCCVEGCSA-N 1 0 205.257 1.275 10 10 BDCERO CCCNC(=O)CN(C)c1ccc(C[NH3+])cc1 ZINC000034653730 169219408 /nfs/dbraw/zinc/21/94/08/169219408.db2.gz WTGXYWTVFPPCOT-UHFFFAOYSA-N 1 0 235.331 1.108 10 10 BDCERO CCC[NH2+]Cc1ccc(N(C)CC(N)=O)cc1 ZINC000037268932 169266681 /nfs/dbraw/zinc/26/66/81/169266681.db2.gz QEZXQQKHEOVMQD-UHFFFAOYSA-N 1 0 235.331 1.108 10 10 BDCERO Cc1cc(Br)cc(C[NH3+])c1O ZINC000156818093 385108931 /nfs/dbraw/zinc/10/89/31/385108931.db2.gz GRZGBGFSIKBFAL-UHFFFAOYSA-N 1 0 216.078 1.922 10 10 BDCERO Nc1ccc(OC[C@@H]2CCC[NH2+]C2)cc1 ZINC000575434140 387057573 /nfs/dbraw/zinc/05/75/73/387057573.db2.gz HGTRLOHUSXAJRT-SNVBAGLBSA-N 1 0 206.289 1.647 10 10 BDCERO C[N@H+](Cc1ccc(N)cc1)C1CCOCC1 ZINC000036320285 387483764 /nfs/dbraw/zinc/48/37/64/387483764.db2.gz NRTYCYYXNCUNDT-UHFFFAOYSA-N 1 0 220.316 1.880 10 10 BDCERO COc1ccc(N2CCN([C@H](C)C[NH3+])CC2)cc1 ZINC000019401031 132324587 /nfs/dbraw/zinc/32/45/87/132324587.db2.gz NTTSYTCKZDFXNZ-GFCCVEGCSA-N 1 0 249.358 1.164 10 10 BDCERO C[C@@H]1CN(c2ccc(C[NH3+])cc2)C[C@@H](C)O1 ZINC000019865375 132327848 /nfs/dbraw/zinc/32/78/48/132327848.db2.gz WYSREDZTTQWKFG-GHMZBOCLSA-N 1 0 220.316 1.759 10 10 BDCERO C[C@H]1CCCN(c2ccc3c(c2)NC(=O)[C@@H]3[NH3+])C1 ZINC000036193641 132340469 /nfs/dbraw/zinc/34/04/69/132340469.db2.gz HLFQGLHDOWCTSC-TVQRCGJNSA-N 1 0 245.326 1.875 10 10 BDCERO Cc1cc(C[NH3+])ccc1N1CCOC[C@@H]1C ZINC000037733222 132345332 /nfs/dbraw/zinc/34/53/32/132345332.db2.gz NMVBKIWZOMVOAX-NSHDSACASA-N 1 0 220.316 1.679 10 10 BDCERO C[C@@H]1CN(c2ccc3c(c2)OCO3)CC[C@@H]1[NH3+] ZINC000049709983 132357484 /nfs/dbraw/zinc/35/74/84/132357484.db2.gz SNNWUTOQQXZGIP-KOLCDFICSA-N 1 0 234.299 1.589 10 10 BDCERO c1cc(N2CC[NH2+]CC2)ccc1O[C@H]1CCOC1 ZINC000070072068 132391047 /nfs/dbraw/zinc/39/10/47/132391047.db2.gz QBZQKQLBWXOACV-AWEZNQCLSA-N 1 0 248.326 1.264 10 10 BDCERO CC(C)[NH2+][C@@H](C)C(=O)c1ccc(O)c(O)c1 ZINC000000000608 167130323 /nfs/dbraw/zinc/13/03/23/167130323.db2.gz GPHUDPVNXDFRCO-QMMMGPOBSA-N 1 0 223.272 1.667 10 10 in-man BDCERO CCOC(=O)CC[NH2+]Cc1cc(C)ccc1O ZINC000071408801 170208724 /nfs/dbraw/zinc/20/87/24/170208724.db2.gz ZDIXWBRZDNSMKD-UHFFFAOYSA-N 1 0 237.299 1.743 10 10 BDCERO CN1CCc2cc([C@@H](C[NH3+])NC3CC3)ccc21 ZINC000050287380 173171868 /nfs/dbraw/zinc/17/18/68/173171868.db2.gz JUVAURIGCDKZJD-CYBMUJFWSA-N 1 0 231.343 1.431 10 10 BDCERO COCCC[NH2+]Cc1ccc(O)c(O)c1 ZINC000020142220 174248219 /nfs/dbraw/zinc/24/82/19/174248219.db2.gz NMAMZTZSUXTVCX-UHFFFAOYSA-N 1 0 211.261 1.224 10 10 BDCERO COc1ccc(N2CC[C@H]([NH3+])C2)cc1Cl ZINC000033426917 175139049 /nfs/dbraw/zinc/13/90/49/175139049.db2.gz ZEKDTNHZELVGIB-QMMMGPOBSA-N 1 0 226.707 1.886 10 10 BDCERO COc1ccc(O)c([C@@H](C)N2CC[NH2+]CC2)c1 ZINC000038086623 175160320 /nfs/dbraw/zinc/16/03/20/175160320.db2.gz DHIWWZAQEVNTSJ-SNVBAGLBSA-N 1 0 236.315 1.367 10 10 BDCERO C[C@@H](c1ccccc1O)N(C)C(=O)[C@H]1CCC[NH2+]1 ZINC000037826477 176024707 /nfs/dbraw/zinc/02/47/07/176024707.db2.gz PQYIKIRTMOXUBY-CMPLNLGQSA-N 1 0 248.326 1.664 10 10 BDCERO C[C@@H]1C[NH+](CCc2ccc(N)cc2)C[C@@H](C)O1 ZINC000020071827 176294364 /nfs/dbraw/zinc/29/43/64/176294364.db2.gz MVOJGFBTRPXOFC-VXGBXAGGSA-N 1 0 234.343 1.921 10 10 BDCERO C[C@@H]1COC[C@H](C)[N@H+]1Cc1ccc(N)cc1 ZINC000091301838 177298722 /nfs/dbraw/zinc/29/87/22/177298722.db2.gz HENXFLISWTXENK-PHIMTYICSA-N 1 0 220.316 1.878 10 10 BDCERO COc1ccc(N2CCC([NH3+])CC2)cc1OC ZINC000019427559 536670578 /nfs/dbraw/zinc/67/05/78/536670578.db2.gz ZKLZXDBMDGCTBR-UHFFFAOYSA-N 1 0 236.315 1.631 10 10 BDCERO [NH3+]CCn1ccn2nc(-c3cccnc3)cc12 ZINC000409440058 343854115 /nfs/dbraw/zinc/85/41/15/343854115.db2.gz VMGOZHZDTHGRKS-UHFFFAOYSA-N 1 0 227.271 1.157 10 10 BDCERO O=C1CCC[C@H]([C@H]2CCCCC[NH2+]2)C1=O ZINC000164514926 346608133 /nfs/dbraw/zinc/60/81/33/346608133.db2.gz FFXRYYXWSUOTDV-NXEZZACHSA-N 1 0 209.289 1.457 10 10 BDCERO COc1ccc(C[NH2+]CC2CC(O)C2)cc1C ZINC000091524664 490192929 /nfs/dbraw/zinc/19/29/29/490192929.db2.gz DLBMJNPUUCTAPF-UHFFFAOYSA-N 1 0 235.327 1.864 10 10 BDCERO CC(C)[C@@H]1C[NH2+]CCN1c1ccc2c(c1)OCO2 ZINC000083378819 535264816 /nfs/dbraw/zinc/26/48/16/535264816.db2.gz YPMZHTRILHBABH-LBPRGKRZSA-N 1 0 248.326 1.850 10 10 BDCERO Cc1cccc(C[NH2+]C[C@H]2CCC[C@H]2O)c1O ZINC000124848794 358528271 /nfs/dbraw/zinc/52/82/71/358528271.db2.gz RMVHUHXZIBJQJR-DGCLKSJQSA-N 1 0 235.327 1.951 10 10 BDCERO CCCN(C)c1ccc2c(c1)NC(=O)[C@H]2[NH2+]C ZINC000036194640 169089041 /nfs/dbraw/zinc/08/90/41/169089041.db2.gz DYTIJPWOTSDMPW-LBPRGKRZSA-N 1 0 233.315 1.745 10 10 BDCERO Oc1cc2c(cc1O)[C@H]1C[NH2+]CC[C@H]1CC2 ZINC000027557123 183263131 /nfs/dbraw/zinc/26/31/31/183263131.db2.gz ZNJGHPNNTLGWNL-KCJUWKMLSA-N 1 0 219.284 1.737 10 10 BDCERO C[C@@H](CC[NH+](C)C)[NH2+]Cc1cccc(F)c1[O-] ZINC000158739454 384287766 /nfs/dbraw/zinc/28/77/66/384287766.db2.gz ZZVKZIVAMOXOKI-JTQLQIEISA-N 1 0 240.322 1.961 10 10 BDCERO C[C@H](CC[NH+](C)C)[NH2+]Cc1cccc(F)c1[O-] ZINC000158739597 384288435 /nfs/dbraw/zinc/28/84/35/384288435.db2.gz ZZVKZIVAMOXOKI-SNVBAGLBSA-N 1 0 240.322 1.961 10 10 BDCERO [NH3+][C@@H](CC(F)F)c1ccc(O)c(O)c1O ZINC000575437799 387111207 /nfs/dbraw/zinc/11/12/07/387111207.db2.gz UWZJCMFXHOJQLI-YFKPBYRVSA-N 1 0 219.187 1.458 10 10 BDCERO CC1(C)CN(c2ccc(C[NH3+])cc2)CCO1 ZINC000036231774 132341015 /nfs/dbraw/zinc/34/10/15/132341015.db2.gz UCETXOWMLVXSAC-UHFFFAOYSA-N 1 0 220.316 1.761 10 10 BDCERO [NH3+]Cc1ccc(N2CCCC[C@H]2CO)cc1 ZINC000044382441 132354013 /nfs/dbraw/zinc/35/40/13/132354013.db2.gz ZYUKVVIPBRUVJW-ZDUSSCGKSA-N 1 0 220.316 1.497 10 10 BDCERO C[NH2+][C@H](CN)c1ccc2c(c1)CCCN2C ZINC000050287356 132358940 /nfs/dbraw/zinc/35/89/40/132358940.db2.gz SHKULACKCZCQNI-GFCCVEGCSA-N 1 0 219.332 1.288 10 10 BDCERO CC[N@@H+]1CC[C@@H](Oc2ccc(N)cc2)C1 ZINC000039101090 170014483 /nfs/dbraw/zinc/01/44/83/170014483.db2.gz XWRKRSUTFXAMKT-GFCCVEGCSA-N 1 0 206.289 1.742 10 10 BDCERO CCNC(=O)C[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000036780251 170065161 /nfs/dbraw/zinc/06/51/61/170065161.db2.gz QMQDBTMEVCZELJ-JTQLQIEISA-N 1 0 236.315 1.487 10 10 BDCERO CCNC(=O)C[NH2+][C@H](C)c1cc(C)ccc1O ZINC000036780486 170065723 /nfs/dbraw/zinc/06/57/23/170065723.db2.gz GQDDWLURSMNWME-SNVBAGLBSA-N 1 0 236.315 1.487 10 10 BDCERO CCNC(=O)[C@@H](C)[N@H+](C)Cc1ccc(N)cc1 ZINC000035360541 170086417 /nfs/dbraw/zinc/08/64/17/170086417.db2.gz ZDMHGROKJZFSSW-SNVBAGLBSA-N 1 0 235.331 1.225 10 10 BDCERO CC[NH2+]Cc1ccc(N(C)C[C@H](C)O)c(F)c1 ZINC000051839224 170126179 /nfs/dbraw/zinc/12/61/79/170126179.db2.gz LXZDQFJLLPLXCM-JTQLQIEISA-N 1 0 240.322 1.752 10 10 BDCERO CN(C)C(=O)[C@@H]1CCCN1c1ccc(C[NH3+])cc1 ZINC000036796717 172385016 /nfs/dbraw/zinc/38/50/16/172385016.db2.gz QHMRWBZREYNWBX-ZDUSSCGKSA-N 1 0 247.342 1.202 10 10 BDCERO CN1CC[N@H+](CCc2ccc(N)cc2)CC1(C)C ZINC000104135818 173081858 /nfs/dbraw/zinc/08/18/58/173081858.db2.gz STIVTUGCJNLYPC-UHFFFAOYSA-N 1 0 247.386 1.837 10 10 BDCERO COc1ccc(C[NH2+]C(C)(C)CO)c(O)c1 ZINC000040906019 175106006 /nfs/dbraw/zinc/10/60/06/175106006.db2.gz JDKBZCOGHWKWDW-UHFFFAOYSA-N 1 0 225.288 1.261 10 10 BDCERO COc1ccc(N2CCC[NH2+]CC2)c(C)c1 ZINC000061568954 175139866 /nfs/dbraw/zinc/13/98/66/175139866.db2.gz BRBOYSOQPNKQJI-UHFFFAOYSA-N 1 0 220.316 1.803 10 10 BDCERO C[C@@H]1CCC[C@H]([C@H](O)c2ccc(O)c(O)c2)[NH2+]1 ZINC000005763571 176145913 /nfs/dbraw/zinc/14/59/13/176145913.db2.gz LNDIFIOMHLZIGF-ZDSQKVDBSA-N 1 0 237.299 1.662 10 10 BDCERO C[C@@H]1C[N@H+](Cc2cc(N)ccc2O)[C@H](C)CO1 ZINC000035782543 176301014 /nfs/dbraw/zinc/30/10/14/176301014.db2.gz NQKBMSMKAQIKNQ-NXEZZACHSA-N 1 0 236.315 1.584 10 10 BDCERO C[C@H]([NH2+]Cc1c(O)ccc2ccccc21)C(N)=O ZINC000035793771 176873172 /nfs/dbraw/zinc/87/31/72/176873172.db2.gz MDEFIHBJOQQZIL-VIFPVBQESA-N 1 0 244.294 1.509 10 10 BDCERO C[C@@H]([NH2+]C[C@H](C)O)c1cc(O)ccc1O ZINC000035601861 176991458 /nfs/dbraw/zinc/99/14/58/176991458.db2.gz AQAZSIDAGHBNHT-JGVFFNPUSA-N 1 0 211.261 1.129 10 10 BDCERO C[C@H](c1ccccc1O)N(C)C(=O)CC[NH3+] ZINC000037826508 177042577 /nfs/dbraw/zinc/04/25/77/177042577.db2.gz AEWCAIRTSBRTCL-SECBINFHSA-N 1 0 222.288 1.260 10 10 BDCERO C[C@H]1CN(c2ccc(C[NH3+])cc2)CCCO1 ZINC000061912703 177277117 /nfs/dbraw/zinc/27/71/17/177277117.db2.gz VJHOUZPHWGRBOH-NSHDSACASA-N 1 0 220.316 1.761 10 10 BDCERO C[C@H]1C[C@@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000052275385 177349873 /nfs/dbraw/zinc/34/98/73/177349873.db2.gz SQVHRDAAIGROMQ-CBAPKCEASA-N 1 0 221.256 1.619 10 10 BDCERO CCOc1ccc(N2CC[NH2+]C[C@H]2C)cc1 ZINC000016944954 535735499 /nfs/dbraw/zinc/73/54/99/535735499.db2.gz CVFOCHFDMHXINH-LLVKDONJSA-N 1 0 220.316 1.883 10 10 BDCERO COc1ccc(N2CC[NH2+][C@@H](C)C2)c(OC)c1 ZINC000055232338 536705345 /nfs/dbraw/zinc/70/53/45/536705345.db2.gz KZDXFFBBPZJKOO-JTQLQIEISA-N 1 0 236.315 1.502 10 10 BDCERO Nc1ccc(NC(=O)[C@H]2CCC[NH2+]C2)cc1 ZINC000131533467 591617654 /nfs/dbraw/zinc/61/76/54/591617654.db2.gz IIFMUYAWEHWMMS-VIFPVBQESA-N 1 0 219.288 1.207 10 10 BDCERO C[C@@H](O)[C@@H](C)[NH2+]Cc1cc(Cl)ccc1O ZINC000309037804 631807466 /nfs/dbraw/zinc/80/74/66/631807466.db2.gz JFPFSMUEXFARNC-HTQZYQBOSA-N 1 0 229.707 1.905 10 10 BDCERO C[C@H]([NH2+]C[C@H]1CC(=O)N(C)C1)c1ccccc1O ZINC000723570311 711518549 /nfs/dbraw/zinc/51/85/49/711518549.db2.gz FAOAYSMNDHDJHH-WDEREUQCSA-N 1 0 248.326 1.521 10 10 BDCERO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1O)c1ccccc1O ZINC000706758075 712154093 /nfs/dbraw/zinc/15/40/93/712154093.db2.gz UCYPRVWXPPAQMV-NDMJEZRESA-N 1 0 237.299 1.193 10 10 BDCERO C[C@H]([NH2+]Cc1ccccc1O)c1cn(C)nn1 ZINC000715857417 712537217 /nfs/dbraw/zinc/53/72/17/712537217.db2.gz IVNWXDPRTUOIMR-VIFPVBQESA-N 1 0 232.287 1.372 10 10 BDCERO