smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](NCc1ccc(N(C)C)cc1)c1ccc(Cl)cc1 ZINC000020121853 171001316 /nfs/dbraw/zinc/00/13/16/171001316.db2.gz IOIPYGVOOUWAKK-CYBMUJFWSA-N 0 3 288.822 4.257 20 10 CICDHN Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000020126168 171009492 /nfs/dbraw/zinc/00/94/92/171009492.db2.gz IHGHBKINRDQWIQ-KGLIPLIRSA-N 0 3 255.361 4.112 20 10 CICDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H](C)c2ccccc2C)c1 ZINC000020126247 171010408 /nfs/dbraw/zinc/01/04/08/171010408.db2.gz UYABPICDPPTNKV-KBPBESRZSA-N 0 3 285.387 4.121 20 10 CICDHN CN(C)c1ccc(CN[C@H]2CCSc3ccccc32)cc1 ZINC000020146085 171031677 /nfs/dbraw/zinc/03/16/77/171031677.db2.gz BSJBUNXCOQGTNK-KRWDZBQOSA-N 0 3 298.455 4.079 20 10 CICDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)c2ccccc2)c1 ZINC000035628461 172307292 /nfs/dbraw/zinc/30/72/92/172307292.db2.gz ZKZYKPRHAHIVTE-UONOGXRCSA-N 0 3 255.361 4.112 20 10 CICDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCCOC2CCCCC2)c1 ZINC000035628927 172307868 /nfs/dbraw/zinc/30/78/68/172307868.db2.gz GFMMQQSGWMYKFH-OAHLLOKOSA-N 0 3 291.435 4.091 20 10 CICDHN C[C@@H](NCc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC000037185771 260073154 /nfs/dbraw/zinc/07/31/54/260073154.db2.gz ZJZBCXYUXBLDGF-MRXNPFEDSA-N 0 3 280.415 4.138 20 10 CICDHN CCOCc1ccc(C[NH2+][C@H](CC)c2ccccc2[O-])cc1 ZINC000155086839 261097696 /nfs/dbraw/zinc/09/76/96/261097696.db2.gz HWJWSOGDXGXRMK-GOSISDBHSA-N 0 3 299.414 4.170 20 10 CICDHN CC[C@H](NCc1cccs1)c1ccc(N(C)C)cc1 ZINC000156513941 261124965 /nfs/dbraw/zinc/12/49/65/261124965.db2.gz TWJVTEKMZQFXMX-INIZCTEOSA-N 0 3 274.433 4.055 20 10 CICDHN CC[C@@H]([NH2+][C@H](C)c1cccc(F)c1F)c1ccccc1[O-] ZINC000156996163 261137464 /nfs/dbraw/zinc/13/74/64/261137464.db2.gz MYJHDWYMKVZESH-IAQYHMDHSA-N 0 3 291.341 4.472 20 10 CICDHN CC[C@@H]([NH2+]C[C@H](C)c1nc(C)cs1)c1ccccc1[O-] ZINC000158092536 261158355 /nfs/dbraw/zinc/15/83/55/261158355.db2.gz HWFBMWLBUHCFQT-SMDDNHRTSA-N 0 3 290.432 4.002 20 10 CICDHN CC[C@H](N[C@H](C)c1ccc(N(C)CC)cc1)c1ccncc1 ZINC000163655669 261324865 /nfs/dbraw/zinc/32/48/65/261324865.db2.gz CSRQMYRUMSJIAJ-BEFAXECRSA-N 0 3 297.446 4.340 20 10 CICDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCc3cc(F)ccc32)c1 ZINC000185216200 262046160 /nfs/dbraw/zinc/04/61/60/262046160.db2.gz BYQCADSBPIHNGE-YVEFUNNKSA-N 0 3 285.362 4.178 20 10 CICDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCCOc3ccccc32)c([O-])c1 ZINC000185270991 262048568 /nfs/dbraw/zinc/04/85/68/262048568.db2.gz RWSDAMCGSXFNRF-YOEHRIQHSA-N 0 3 297.398 4.265 20 10 CICDHN Cc1ccc([C@H](C)[NH2+][C@@H](c2ncccc2C)C(C)C)c([O-])c1 ZINC000185458120 262054993 /nfs/dbraw/zinc/05/49/93/262054993.db2.gz RHKMCSJRWXIMCH-MAUKXSAKSA-N 0 3 298.430 4.452 20 10 CICDHN Cc1ccc([C@@H](C)[NH2+][C@@H](c2ncccc2C)C(C)C)c([O-])c1 ZINC000185458099 262055046 /nfs/dbraw/zinc/05/50/46/262055046.db2.gz RHKMCSJRWXIMCH-CRAIPNDOSA-N 0 3 298.430 4.452 20 10 CICDHN Cc1ccc([C@@H](C)[NH2+][C@H](c2ncccc2C)C(C)C)c([O-])c1 ZINC000185458141 262055185 /nfs/dbraw/zinc/05/51/85/262055185.db2.gz RHKMCSJRWXIMCH-QAPCUYQASA-N 0 3 298.430 4.452 20 10 CICDHN Cc1ccc([C@H](C)N[C@@H](C)c2cccc(F)c2F)c(O)c1 ZINC000186208177 262084659 /nfs/dbraw/zinc/08/46/59/262084659.db2.gz ICMDZIDZDYHCDP-RYUDHWBXSA-N 0 3 291.341 4.391 20 10 CICDHN Cc1ccsc1C[NH2+][C@@H](C)c1c(C)cc(C)cc1[O-] ZINC000293607272 263144097 /nfs/dbraw/zinc/14/40/97/263144097.db2.gz GJDLSSNBKZZOGF-ZDUSSCGKSA-N 0 3 275.417 4.230 20 10 CICDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CCC[C@@H]1c1c(C)n[nH]c1C ZINC000367729460 267113702 /nfs/dbraw/zinc/11/37/02/267113702.db2.gz UIEZHNABXKCVOO-JKSUJKDBSA-N 0 3 299.418 4.020 20 10 CICDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CCC[C@@H]1c1c(C)n[nH]c1C ZINC000367729460 267113704 /nfs/dbraw/zinc/11/37/04/267113704.db2.gz UIEZHNABXKCVOO-JKSUJKDBSA-N 0 3 299.418 4.020 20 10 CICDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCC[C@@H]1c1c(C)n[nH]c1C ZINC000367729459 267113866 /nfs/dbraw/zinc/11/38/66/267113866.db2.gz UIEZHNABXKCVOO-HZPDHXFCSA-N 0 3 299.418 4.020 20 10 CICDHN CC[C@H](c1ccccc1[O-])[N@H+]1CCC[C@@H]1c1c(C)n[nH]c1C ZINC000367729459 267113867 /nfs/dbraw/zinc/11/38/67/267113867.db2.gz UIEZHNABXKCVOO-HZPDHXFCSA-N 0 3 299.418 4.020 20 10 CICDHN CC[C@H]([NH2+]Cc1sccc1C)c1ccccc1[O-] ZINC000094875228 522676522 /nfs/dbraw/zinc/67/65/22/522676522.db2.gz XHLMFWSCVIREND-ZDUSSCGKSA-N 0 3 261.390 4.003 20 10 CICDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)c2ccc(C)cc2)c1 ZINC000037769988 326860852 /nfs/dbraw/zinc/86/08/52/326860852.db2.gz BZEINIMUZDIYCW-UONOGXRCSA-N 0 3 285.387 4.121 20 10 CICDHN CC[C@@H]([NH2+][C@@H](C)c1ccc(OC)cc1)c1ccccc1[O-] ZINC000090339842 327094343 /nfs/dbraw/zinc/09/43/43/327094343.db2.gz PJAXJRLOSRUEFS-SUMWQHHRSA-N 0 3 285.387 4.203 20 10 CICDHN CC[C@@H](c1ccccc1[O-])[N@H+](C)[C@@H]1CCCc2cccnc21 ZINC000377708778 329026471 /nfs/dbraw/zinc/02/64/71/329026471.db2.gz XYUIJAWYBODPKA-DLBZAZTESA-N 0 3 296.414 4.248 20 10 CICDHN CC[C@@H](c1ccccc1[O-])[N@@H+](C)[C@@H]1CCCc2cccnc21 ZINC000377708778 329026472 /nfs/dbraw/zinc/02/64/72/329026472.db2.gz XYUIJAWYBODPKA-DLBZAZTESA-N 0 3 296.414 4.248 20 10 CICDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCOc3c(C)cccc32)c([O-])c1 ZINC000189367607 329380383 /nfs/dbraw/zinc/38/03/83/329380383.db2.gz VJDNLXRJVKPIFZ-RHSMWYFYSA-N 0 3 297.398 4.183 20 10 CICDHN COc1ccc(CN[C@H](c2ccccn2)C2CCC2)cc1C ZINC000527771798 330282110 /nfs/dbraw/zinc/28/21/10/330282110.db2.gz JYERFUKPQBAFTG-IBGZPJMESA-N 0 3 296.414 4.030 20 10 CICDHN C[C@H]([NH2+][C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21)c1ccccc1[O-] ZINC000527941855 330294021 /nfs/dbraw/zinc/29/40/21/330294021.db2.gz ITWIABQORIBYGA-ZGZIKQBOSA-N 0 3 299.801 4.035 20 10 CICDHN CCC(F)(F)C(C)(C)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000527977853 330302238 /nfs/dbraw/zinc/30/22/38/330302238.db2.gz BUTKQDMIXQLNKZ-LBPRGKRZSA-N 0 3 283.362 4.041 20 10 CICDHN CC[C@H](NCc1c(C)c2ccccc2n1C)c1ccncc1 ZINC000453233957 331104806 /nfs/dbraw/zinc/10/48/06/331104806.db2.gz XZKRFPUSMDCTBI-KRWDZBQOSA-N 0 3 293.414 4.123 20 10 CICDHN CSc1ccc([C@H](C)[NH2+]Cc2cc(F)ccc2[O-])cc1 ZINC000226583943 333265424 /nfs/dbraw/zinc/26/54/24/333265424.db2.gz MPXQTIJVSNTTPE-NSHDSACASA-N 0 3 291.391 4.104 20 10 CICDHN CC(C)Oc1cccc([C@H](C)[NH2+]Cc2ccccc2[O-])c1 ZINC000036997361 519783663 /nfs/dbraw/zinc/78/36/63/519783663.db2.gz SIKPVPAPMRXPGW-AWEZNQCLSA-N 0 3 285.387 4.030 20 10 CICDHN CC[C@H]([NH2+][C@@H](C)c1cc(OC)ccc1[O-])c1ccccc1 ZINC000051626357 522695722 /nfs/dbraw/zinc/69/57/22/522695722.db2.gz ZVDSTNPSTKSZDE-GUYCJALGSA-N 0 3 285.387 4.203 20 10 CICDHN CC[C@H]([NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1)c1ccccc1[O-] ZINC000274805861 522721215 /nfs/dbraw/zinc/72/12/15/522721215.db2.gz WPEJAVVHUKUMTO-UKPHBRMFSA-N 0 3 291.435 4.027 20 10 CICDHN CC[C@@H]([NH2+]Cc1ccc(C)s1)c1ccc(C)cc1[O-] ZINC000279999603 522874441 /nfs/dbraw/zinc/87/44/41/522874441.db2.gz FVHNRXODYLQKFW-OAHLLOKOSA-N 0 3 275.417 4.311 20 10 CICDHN CN(c1ccc(CNCc2cc[nH]c2)cc1)C1CCCCC1 ZINC000086252196 523637224 /nfs/dbraw/zinc/63/72/24/523637224.db2.gz HKNPXVWUHFHUEY-UHFFFAOYSA-N 0 3 297.446 4.073 20 10 CICDHN Cc1cccc(CNCc2ccc(C3CC3)cc2F)c1O ZINC000292847046 524432127 /nfs/dbraw/zinc/43/21/27/524432127.db2.gz STSLICCRNWFUEC-UHFFFAOYSA-N 0 3 285.362 4.007 20 10 CICDHN Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000094616863 525362018 /nfs/dbraw/zinc/36/20/18/525362018.db2.gz BIZVWXKMICZJQS-OLZOCXBDSA-N 0 3 273.351 4.252 20 10 CICDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCCc3sccc32)c1 ZINC000061360002 525363966 /nfs/dbraw/zinc/36/39/66/525363966.db2.gz DJOXINOMIUJALQ-SWLSCSKDSA-N 0 3 287.428 4.490 20 10 CICDHN C[C@H]([NH2+]Cc1ccc(C2CC2)cc1F)c1ccccc1[O-] ZINC000293369623 525441159 /nfs/dbraw/zinc/44/11/59/525441159.db2.gz HVDMNRKXAWLMDS-LBPRGKRZSA-N 0 3 285.362 4.260 20 10 CICDHN C[C@H]([NH2+][C@@H]1CCCc2sccc21)c1cc(F)ccc1[O-] ZINC000094618123 525563345 /nfs/dbraw/zinc/56/33/45/525563345.db2.gz VAQORAAUOVHBDD-IINYFYTJSA-N 0 3 291.391 4.321 20 10 CICDHN C[C@@H](N[C@@H]1CCCc2occc21)c1ccc(N(C)C)cc1 ZINC000037241856 525640867 /nfs/dbraw/zinc/64/08/67/525640867.db2.gz GXGJYAQPLVYKHO-CXAGYDPISA-N 0 3 284.403 4.074 20 10 CICDHN C[C@@H]([NH2+][C@H]1CCCc2sccc21)c1ccccc1[O-] ZINC000061359864 525681917 /nfs/dbraw/zinc/68/19/17/525681917.db2.gz SQGRMDYHTWHHAR-RISCZKNCSA-N 0 3 273.401 4.182 20 10 CICDHN CSc1ccc([C@H](C)[NH2+]Cc2cc(C)ccc2[O-])cc1 ZINC000071407539 526073835 /nfs/dbraw/zinc/07/38/35/526073835.db2.gz XTIABTBFHUJUFU-ZDUSSCGKSA-N 0 3 287.428 4.273 20 10 CICDHN CSc1ccc([C@H](C)[NH2+][C@H]2CCc3cccc([O-])c32)cc1 ZINC000296461809 526075638 /nfs/dbraw/zinc/07/56/38/526075638.db2.gz NXALPRFYXIAEHC-LRDDRELGSA-N 0 3 299.439 4.452 20 10 CICDHN CCc1ccc(C[NH2+][C@H](C)c2cc(C)ccc2[O-])s1 ZINC000185026336 262301299 /nfs/dbraw/zinc/30/12/99/262301299.db2.gz UPAKMLLMVWXBKO-GFCCVEGCSA-N 0 3 275.417 4.175 20 10 CICDHN Cc1ccccc1[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000020126169 171009971 /nfs/dbraw/zinc/00/99/71/171009971.db2.gz IHGHBKINRDQWIQ-KBPBESRZSA-N 0 3 255.361 4.112 20 10 CICDHN C[C@H]([NH2+][C@H]1CCCc2ccccc21)c1ccccc1[O-] ZINC000020133567 171021121 /nfs/dbraw/zinc/02/11/21/171021121.db2.gz XCSJKTMVXOSLKM-GUYCJALGSA-N 0 3 267.372 4.120 20 10 CICDHN COc1ccccc1[C@H](C)N[C@@H](C)c1cc(C)ccc1O ZINC000035628752 172307850 /nfs/dbraw/zinc/30/78/50/172307850.db2.gz WEVGYLZPEPYHMI-KBPBESRZSA-N 0 3 285.387 4.121 20 10 CICDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCc3ccccc32)c1 ZINC000035628830 172307864 /nfs/dbraw/zinc/30/78/64/172307864.db2.gz NXVHKDHUTSQQLX-SUMWQHHRSA-N 0 3 267.372 4.039 20 10 CICDHN COc1ccccc1[C@@H](C)N[C@H](C)c1cc(C)ccc1O ZINC000035628753 172308431 /nfs/dbraw/zinc/30/84/31/172308431.db2.gz WEVGYLZPEPYHMI-ZIAGYGMSSA-N 0 3 285.387 4.121 20 10 CICDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCCc3occc32)c1 ZINC000035628961 172308488 /nfs/dbraw/zinc/30/84/88/172308488.db2.gz PTRLUOVXMQBQNC-IUODEOHRSA-N 0 3 271.360 4.022 20 10 CICDHN Cc1ccc(O)c([C@@H](C)N[C@@H]2CCCc3occc32)c1 ZINC000035628961 172308491 /nfs/dbraw/zinc/30/84/91/172308491.db2.gz PTRLUOVXMQBQNC-IUODEOHRSA-N 0 3 271.360 4.022 20 10 CICDHN C[C@H](NCc1ccc2c(c1)CCO2)c1ccc(Cl)cc1 ZINC000037362741 173151891 /nfs/dbraw/zinc/15/18/91/173151891.db2.gz ZQXIBVCCOQXVSN-LBPRGKRZSA-N 0 3 287.790 4.126 20 10 CICDHN CCN(C)c1ccc([C@@H](C)NCc2cccs2)cc1 ZINC000156496595 261124683 /nfs/dbraw/zinc/12/46/83/261124683.db2.gz MFLBSXVONPELGC-CYBMUJFWSA-N 0 3 274.433 4.055 20 10 CICDHN CC[C@@H](N[C@@H](CC)c1ccc(N(C)C)cc1)c1ccncc1 ZINC000163713268 261326578 /nfs/dbraw/zinc/32/65/78/261326578.db2.gz YKTHBQXGAMNPJV-RBUKOAKNSA-N 0 3 297.446 4.340 20 10 CICDHN C[C@@H](N[C@@H](C)c1cc2c(cc1O)CCCC2)c1ccccn1 ZINC000184845834 262030972 /nfs/dbraw/zinc/03/09/72/262030972.db2.gz OOUDDZBEMAAOMH-UONOGXRCSA-N 0 3 296.414 4.078 20 10 CICDHN C[C@H](N[C@@H](C)c1cc2c(cc1O)CCCC2)c1ccccn1 ZINC000184845816 262030990 /nfs/dbraw/zinc/03/09/90/262030990.db2.gz OOUDDZBEMAAOMH-KBPBESRZSA-N 0 3 296.414 4.078 20 10 CICDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCc3cc(F)ccc32)c([O-])c1 ZINC000185216609 262046096 /nfs/dbraw/zinc/04/60/96/262046096.db2.gz PDHFDKSXFYRESS-SJCJKPOMSA-N 0 3 285.362 4.178 20 10 CICDHN C[C@@H]([NH2+]Cc1ccc(C(F)F)cc1)c1cc(F)ccc1[O-] ZINC000185354381 327838378 /nfs/dbraw/zinc/83/83/78/327838378.db2.gz VAVHYKKTYXRLNC-SNVBAGLBSA-N 0 3 295.304 4.320 20 10 CICDHN Cc1cc([C@@H](C)[NH2+]Cc2cccc(C)c2[O-])c(C)s1 ZINC000124685745 327988212 /nfs/dbraw/zinc/98/82/12/327988212.db2.gz SLRQVQHCJHCQCY-GFCCVEGCSA-N 0 3 275.417 4.230 20 10 CICDHN CC(C)Oc1ccc([C@@H](C)[NH2+]Cc2ccccc2[O-])cc1 ZINC000036921719 326831343 /nfs/dbraw/zinc/83/13/43/326831343.db2.gz SZNGTQMWFNRIJX-CQSZACIVSA-N 0 3 285.387 4.030 20 10 CICDHN COc1ccc([C@H](C)[NH2+][C@H](C)c2cc(C)ccc2[O-])cc1 ZINC000090339564 327094240 /nfs/dbraw/zinc/09/42/40/327094240.db2.gz FSBWCVPWQAQNBE-UONOGXRCSA-N 0 3 285.387 4.121 20 10 CICDHN CC[C@H]([NH2+][C@H]1CCOc2c(C)cccc21)c1ccccc1[O-] ZINC000189459945 329382709 /nfs/dbraw/zinc/38/27/09/329382709.db2.gz ALRVKMIHNKRKRM-IRXDYDNUSA-N 0 3 297.398 4.265 20 10 CICDHN Cc1ccc([O-])c(C[NH2+][C@@H]2CCc3cc(Cl)ccc32)c1 ZINC000527795246 330283986 /nfs/dbraw/zinc/28/39/86/330283986.db2.gz PMYIGGMAHZFUBA-MRXNPFEDSA-N 0 3 287.790 4.131 20 10 CICDHN C[C@H]([NH2+][C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12)c1ccccc1[O-] ZINC000527941854 330294029 /nfs/dbraw/zinc/29/40/29/330294029.db2.gz ITWIABQORIBYGA-XNHCUKIZSA-N 0 3 299.801 4.035 20 10 CICDHN Cc1ccc([C@H](C)[NH2+][C@H](c2ccccn2)C2CCC2)c([O-])c1 ZINC000527968554 330301475 /nfs/dbraw/zinc/30/14/75/330301475.db2.gz RXZWEFKOYCJFHQ-LIRRHRJNSA-N 0 3 296.414 4.288 20 10 CICDHN Cc1c2ccccc2n(C)c1CNCc1cc(F)ccc1C ZINC000475189091 331617184 /nfs/dbraw/zinc/61/71/84/331617184.db2.gz DRMVUBLZNVYLSL-UHFFFAOYSA-N 0 3 296.389 4.224 20 10 CICDHN Cc1c2ccccc2n(C)c1CNCc1ccc(C)c(F)c1 ZINC000475200360 331617971 /nfs/dbraw/zinc/61/79/71/331617971.db2.gz ZDLHAJILAHEAQQ-UHFFFAOYSA-N 0 3 296.389 4.224 20 10 CICDHN COc1ccccc1[C@@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000268721863 334715074 /nfs/dbraw/zinc/71/50/74/334715074.db2.gz KSBKQJPIHIJHDT-LSDHHAIUSA-N 0 3 298.430 4.173 20 10 CICDHN CC(C)[C@H]([NH2+][C@H](C)c1ccccc1[O-])c1ccccc1 ZINC000036967782 519821648 /nfs/dbraw/zinc/82/16/48/519821648.db2.gz FDLKJSHSYAJUNE-KDOFPFPSSA-N 0 3 269.388 4.440 20 10 CICDHN CCC[C@@H]([NH2+]Cc1ccccc1[O-])c1ccccc1 ZINC000037062428 520783860 /nfs/dbraw/zinc/78/38/60/520783860.db2.gz LPNAQHBQLVNEBJ-MRXNPFEDSA-N 0 3 255.361 4.023 20 10 CICDHN CCOc1cccc(C[NH2+][C@H](CC)c2ccccc2)c1[O-] ZINC000051626380 521376071 /nfs/dbraw/zinc/37/60/71/521376071.db2.gz VHMKHYCCTWVLIV-MRXNPFEDSA-N 0 3 285.387 4.032 20 10 CICDHN CC[C@@H]([NH2+]Cc1cccs1)c1ccc(C)cc1[O-] ZINC000279968280 522887800 /nfs/dbraw/zinc/88/78/00/522887800.db2.gz CVFPDPDFJCCILS-CQSZACIVSA-N 0 3 261.390 4.003 20 10 CICDHN COCc1ccccc1C[NH2+][C@H](C)c1c(C)cc(C)cc1[O-] ZINC000293222735 523105679 /nfs/dbraw/zinc/10/56/79/523105679.db2.gz AKSFAFVSJVCSOE-OAHLLOKOSA-N 0 3 299.414 4.006 20 10 CICDHN Cc1ccc([O-])c([C@@H](C)[NH2+]Cc2cccc(Cl)c2)c1 ZINC000053147835 525362597 /nfs/dbraw/zinc/36/25/97/525362597.db2.gz OYIKSTDXTKAKDW-GFCCVEGCSA-N 0 3 275.779 4.205 20 10 CICDHN Cc1ccc(O)c([C@@H](C)N[C@@H](C)c2ccc(F)cc2F)c1 ZINC000036952892 525363174 /nfs/dbraw/zinc/36/31/74/525363174.db2.gz PMCDJWNQTBNIDT-NWDGAFQWSA-N 0 3 291.341 4.391 20 10 CICDHN C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)c1ccccc1[O-] ZINC000036953218 525606139 /nfs/dbraw/zinc/60/61/39/525606139.db2.gz CDSRBWLDLGGWBM-WDEREUQCSA-N 0 3 277.314 4.082 20 10 CICDHN C[C@H]([NH2+][C@H]1CCCc2sccc21)c1ccccc1[O-] ZINC000061359863 525615277 /nfs/dbraw/zinc/61/52/77/525615277.db2.gz SQGRMDYHTWHHAR-FZMZJTMJSA-N 0 3 273.401 4.182 20 10 CICDHN C[C@@H]([NH2+][C@H]1CCSc2ccccc21)c1ccccc1[O-] ZINC000037128141 525690636 /nfs/dbraw/zinc/69/06/36/525690636.db2.gz UHUJRJAAHLIXBL-DOMZBBRYSA-N 0 3 285.412 4.280 20 10 CICDHN C[C@@H]([NH2+][C@H]1CCCc2ccccc21)c1ccccc1[O-] ZINC000020133564 171021196 /nfs/dbraw/zinc/02/11/96/171021196.db2.gz XCSJKTMVXOSLKM-DYVFJYSZSA-N 0 3 267.372 4.120 20 10 CICDHN C[C@H](CCc1ccccc1)[NH2+][C@H](C)c1ccccc1[O-] ZINC000020138369 171026113 /nfs/dbraw/zinc/02/61/13/171026113.db2.gz MQLVVFOPOIDWSV-HUUCEWRRSA-N 0 3 269.388 4.064 20 10 CICDHN Cc1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(Cl)cc2)c1 ZINC000035628969 172309049 /nfs/dbraw/zinc/30/90/49/172309049.db2.gz ZYXVRJQMNVTKEX-GFCCVEGCSA-N 0 3 275.779 4.205 20 10 CICDHN Cc1ccc([C@H](C)N[C@H](C)c2ccc(F)cc2F)c(O)c1 ZINC000036952680 260056208 /nfs/dbraw/zinc/05/62/08/260056208.db2.gz SLHDVZDBESMQJU-NEPJUHHUSA-N 0 3 291.341 4.391 20 10 CICDHN CC[C@@H](N[C@H](C)c1c(F)cccc1F)c1ccccc1O ZINC000037771696 260116356 /nfs/dbraw/zinc/11/63/56/260116356.db2.gz AWDLZBXXJRBAQK-IAQYHMDHSA-N 0 3 291.341 4.472 20 10 CICDHN CC[C@H]([NH2+][C@@H]1CCc2cc(F)ccc21)c1ccccc1[O-] ZINC000155420665 261101632 /nfs/dbraw/zinc/10/16/32/261101632.db2.gz KMDJSAISCMQDDO-DLBZAZTESA-N 0 3 285.362 4.260 20 10 CICDHN CC[C@H]([NH2+][C@@H](C)c1cccc(F)c1F)c1ccccc1[O-] ZINC000156995728 261137152 /nfs/dbraw/zinc/13/71/52/261137152.db2.gz MYJHDWYMKVZESH-NHYWBVRUSA-N 0 3 291.341 4.472 20 10 CICDHN CC[C@H](NC1(c2ccccc2F)CC1)c1ccccc1O ZINC000157321967 261144511 /nfs/dbraw/zinc/14/45/11/261144511.db2.gz GXNKQVFZMKDIIL-INIZCTEOSA-N 0 3 285.362 4.261 20 10 CICDHN CC[C@H]([NH2+]C[C@H](C)c1ncc(C)s1)c1ccccc1[O-] ZINC000158101832 261158524 /nfs/dbraw/zinc/15/85/24/261158524.db2.gz WFYALGSNCAIKRC-FZMZJTMJSA-N 0 3 290.432 4.002 20 10 CICDHN CC[C@@H](NCc1ccsc1)c1ccc(N(C)C)cc1 ZINC000178024783 261722998 /nfs/dbraw/zinc/72/29/98/261722998.db2.gz IVEPLWNKVYTDCK-MRXNPFEDSA-N 0 3 274.433 4.055 20 10 CICDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCOc3ccccc32)c([O-])c1 ZINC000185270938 262048168 /nfs/dbraw/zinc/04/81/68/262048168.db2.gz RWSDAMCGSXFNRF-RHSMWYFYSA-N 0 3 297.398 4.265 20 10 CICDHN Cc1ccc([C@@H](C)NC2(c3ccccc3F)CC2)c(O)c1 ZINC000186322697 262088529 /nfs/dbraw/zinc/08/85/29/262088529.db2.gz JWGUXMRSYSDUOL-CYBMUJFWSA-N 0 3 285.362 4.180 20 10 CICDHN C[C@H]([NH2+]C1(c2cccc(F)c2)CC1)c1cc(F)ccc1[O-] ZINC000186321900 262088811 /nfs/dbraw/zinc/08/88/11/262088811.db2.gz CARDYAVNYXEJFX-NSHDSACASA-N 0 3 289.325 4.010 20 10 CICDHN Cc1cc([C@@H](C)[NH2+][C@@H]2CCc3cccc([O-])c32)ccc1F ZINC000296699047 263195532 /nfs/dbraw/zinc/19/55/32/263195532.db2.gz HPBVFSGFCDTAAY-MLGOLLRUSA-N 0 3 285.362 4.178 20 10 CICDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CCC[C@H]1c1c(C)n[nH]c1C ZINC000367729458 267113497 /nfs/dbraw/zinc/11/34/97/267113497.db2.gz UIEZHNABXKCVOO-HOTGVXAUSA-N 0 3 299.418 4.020 20 10 CICDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CCC[C@H]1c1c(C)n[nH]c1C ZINC000367729458 267113500 /nfs/dbraw/zinc/11/35/00/267113500.db2.gz UIEZHNABXKCVOO-HOTGVXAUSA-N 0 3 299.418 4.020 20 10 CICDHN C[C@H]([NH2+][C@@H]1CCc2c1cccc2Cl)c1ccccc1[O-] ZINC000179904264 327803740 /nfs/dbraw/zinc/80/37/40/327803740.db2.gz UGRADPCWYNKSJT-MEDUHNTESA-N 0 3 287.790 4.384 20 10 CICDHN C[C@@H]([NH2+][C@H]1CCc2c1cccc2Cl)c1ccccc1[O-] ZINC000179904316 327803854 /nfs/dbraw/zinc/80/38/54/327803854.db2.gz UGRADPCWYNKSJT-BZNIZROVSA-N 0 3 287.790 4.384 20 10 CICDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000377689260 329024983 /nfs/dbraw/zinc/02/49/83/329024983.db2.gz DGVTWGCRJOGTQD-SJORKVTESA-N 0 3 282.387 4.075 20 10 CICDHN CC[C@H](c1ccccc1[O-])[N@H+]1CCC[C@H]1c1ccncc1 ZINC000377689260 329024985 /nfs/dbraw/zinc/02/49/85/329024985.db2.gz DGVTWGCRJOGTQD-SJORKVTESA-N 0 3 282.387 4.075 20 10 CICDHN CC[C@@H]([NH2+][C@H]1CCOc2c(C)cccc21)c1ccccc1[O-] ZINC000189459966 329382642 /nfs/dbraw/zinc/38/26/42/329382642.db2.gz ALRVKMIHNKRKRM-SJORKVTESA-N 0 3 297.398 4.265 20 10 CICDHN C[C@@H]([NH2+][C@H]1CCc2cccc([O-])c21)c1ccc(Cl)cc1 ZINC000296026911 334904974 /nfs/dbraw/zinc/90/49/74/334904974.db2.gz PXLRBLFCNPHLJO-ABAIWWIYSA-N 0 3 287.790 4.384 20 10 CICDHN CC(C)([NH2+]Cc1ccccc1[O-])c1ccc(Cl)cc1 ZINC000067011153 519324841 /nfs/dbraw/zinc/32/48/41/519324841.db2.gz LMTBTRZGAQYDNM-UHFFFAOYSA-N 0 3 275.779 4.071 20 10 CICDHN CC(C)[C@@H]([NH2+][C@H](C)c1ccccc1[O-])c1ccccc1 ZINC000036967784 519799721 /nfs/dbraw/zinc/79/97/21/519799721.db2.gz FDLKJSHSYAJUNE-RDTXWAMCSA-N 0 3 269.388 4.440 20 10 CICDHN CCOc1cccc(C[NH2+][C@@H](CC)c2ccccc2)c1[O-] ZINC000051626378 521372079 /nfs/dbraw/zinc/37/20/79/521372079.db2.gz VHMKHYCCTWVLIV-INIZCTEOSA-N 0 3 285.387 4.032 20 10 CICDHN CC[C@H]([NH2+]Cc1ccc(C)s1)c1ccc(C)cc1[O-] ZINC000279999600 522645025 /nfs/dbraw/zinc/64/50/25/522645025.db2.gz FVHNRXODYLQKFW-HNNXBMFYSA-N 0 3 275.417 4.311 20 10 CICDHN CC[C@H]([NH2+][C@@H]1CCCc2occc21)c1ccc(C)cc1[O-] ZINC000280016711 522717930 /nfs/dbraw/zinc/71/79/30/522717930.db2.gz HCDBGONEWTYGBB-JKSUJKDBSA-N 0 3 285.387 4.412 20 10 CICDHN CC[C@@H]([NH2+][C@H](C)c1cc(OC)ccc1[O-])c1ccccc1 ZINC000051626362 522934540 /nfs/dbraw/zinc/93/45/40/522934540.db2.gz ZVDSTNPSTKSZDE-CXAGYDPISA-N 0 3 285.387 4.203 20 10 CICDHN C[C@@H]([NH2+]C1CCC(C(F)(F)F)CC1)c1ccccc1[O-] ZINC000037092642 525396521 /nfs/dbraw/zinc/39/65/21/525396521.db2.gz INJBWWAMDOBUJQ-VOMCLLRMSA-N 0 3 287.325 4.164 20 10 CICDHN C[C@@H]([NH2+][C@@H]1CCCc2ccccc21)c1ccccc1[O-] ZINC000020133556 525639881 /nfs/dbraw/zinc/63/98/81/525639881.db2.gz XCSJKTMVXOSLKM-CXAGYDPISA-N 0 3 267.372 4.120 20 10 CICDHN C[C@@H]([NH2+][C@@H]1CCCc2ccc(F)cc21)c1ccccc1[O-] ZINC000281155590 525641694 /nfs/dbraw/zinc/64/16/94/525641694.db2.gz OVJJDFNDKMEABI-SJKOYZFVSA-N 0 3 285.362 4.260 20 10 CICDHN C[C@@H]([NH2+][C@@H]1CCSc2ccccc21)c1ccccc1[O-] ZINC000037128139 525650957 /nfs/dbraw/zinc/65/09/57/525650957.db2.gz UHUJRJAAHLIXBL-IUODEOHRSA-N 0 3 285.412 4.280 20 10 CICDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC(F)(F)C2)c([O-])c1C ZINC000281082427 525728098 /nfs/dbraw/zinc/72/80/98/525728098.db2.gz JKMJJBUXLOUYLD-CHWSQXEVSA-N 0 3 283.362 4.095 20 10 CICDHN c1cc(CNCc2ccc(N3CCCCC3)cc2)cs1 ZINC000059639695 526428120 /nfs/dbraw/zinc/42/81/20/526428120.db2.gz ADRXVFZLNQAJRF-UHFFFAOYSA-N 0 3 286.444 4.028 20 10 CICDHN Cc1ccc(O)c([C@H](C)NCc2ccccc2Cl)c1 ZINC000035628576 260030766 /nfs/dbraw/zinc/03/07/66/260030766.db2.gz OLAIZMNFWHPOPJ-LBPRGKRZSA-N 0 3 275.779 4.205 20 10 CICDHN Cc1ccc([C@@H](C)N[C@@H](C)c2ccc(F)cc2F)c(O)c1 ZINC000036952677 260056634 /nfs/dbraw/zinc/05/66/34/260056634.db2.gz SLHDVZDBESMQJU-NWDGAFQWSA-N 0 3 291.341 4.391 20 10 CICDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)c2ccccc2C)c1 ZINC000020126246 171010514 /nfs/dbraw/zinc/01/05/14/171010514.db2.gz UYABPICDPPTNKV-UONOGXRCSA-N 0 3 285.387 4.121 20 10 CICDHN CC[C@H]([NH2+][C@H]1CCc2ccccc21)c1ccccc1[O-] ZINC000020129898 171018672 /nfs/dbraw/zinc/01/86/72/171018672.db2.gz RYHZMVLVKVDJIM-IRXDYDNUSA-N 0 3 267.372 4.120 20 10 CICDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCCc3occc32)c([O-])c1 ZINC000020205083 171070845 /nfs/dbraw/zinc/07/08/45/171070845.db2.gz OOIJQEDHEQRZNO-WFASDCNBSA-N 0 3 271.360 4.022 20 10 CICDHN Cc1ccc([C@H](C)[NH2+]Cc2ccc(Cl)cc2)c([O-])c1 ZINC000020209946 171074249 /nfs/dbraw/zinc/07/42/49/171074249.db2.gz MIMVUUJYIKNVRO-LBPRGKRZSA-N 0 3 275.779 4.205 20 10 CICDHN COc1ccccc1[C@@H](C)N[C@@H](C)c1cc(C)ccc1O ZINC000035628754 172307934 /nfs/dbraw/zinc/30/79/34/172307934.db2.gz WEVGYLZPEPYHMI-KGLIPLIRSA-N 0 3 285.387 4.121 20 10 CICDHN CC[C@@H]([NH2+][C@H]1CCCOc2ccccc21)c1ccccc1[O-] ZINC000155514858 261103132 /nfs/dbraw/zinc/10/31/32/261103132.db2.gz ZPSLQOPKRTYIFB-SJORKVTESA-N 0 3 297.398 4.347 20 10 CICDHN CC[C@H]([NH2+][C@H]1CCCOc2ccccc21)c1ccccc1[O-] ZINC000155514757 261103157 /nfs/dbraw/zinc/10/31/57/261103157.db2.gz ZPSLQOPKRTYIFB-IRXDYDNUSA-N 0 3 297.398 4.347 20 10 CICDHN CC[C@H]([NH2+][C@H](C)c1cccc(F)c1F)c1ccccc1[O-] ZINC000156996004 261137157 /nfs/dbraw/zinc/13/71/57/261137157.db2.gz MYJHDWYMKVZESH-ABAIWWIYSA-N 0 3 291.341 4.472 20 10 CICDHN C[C@@H]([NH2+]Cc1ccc(C(F)F)cc1)c1ccccc1[O-] ZINC000183988058 262003474 /nfs/dbraw/zinc/00/34/74/262003474.db2.gz YSCZAZIRQBFFIP-LLVKDONJSA-N 0 3 277.314 4.181 20 10 CICDHN C[C@@H]([NH2+][C@H]1CCc2cc(F)ccc21)c1cc(F)ccc1[O-] ZINC000185216796 262045872 /nfs/dbraw/zinc/04/58/72/262045872.db2.gz RDRAMCUCCKABEI-HWPZZCPQSA-N 0 3 289.325 4.009 20 10 CICDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H](c2ncccc2C)C(C)C)c1 ZINC000185457664 262055083 /nfs/dbraw/zinc/05/50/83/262055083.db2.gz WVHNDROKHSYFKS-MAUKXSAKSA-N 0 3 298.430 4.452 20 10 CICDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@H](c2ncccc2C)C(C)C)c1 ZINC000185457684 262055454 /nfs/dbraw/zinc/05/54/54/262055454.db2.gz WVHNDROKHSYFKS-QAPCUYQASA-N 0 3 298.430 4.452 20 10 CICDHN Cc1ccc(O)c([C@H](C)NC2(c3cccc(F)c3)CC2)c1 ZINC000186321544 262088665 /nfs/dbraw/zinc/08/86/65/262088665.db2.gz WOWWZADRFSALGO-ZDUSSCGKSA-N 0 3 285.362 4.180 20 10 CICDHN Cc1ccc(O)c([C@@H](C)NC2(c3cccc(F)c3)CC2)c1 ZINC000186321531 262088731 /nfs/dbraw/zinc/08/87/31/262088731.db2.gz WOWWZADRFSALGO-CYBMUJFWSA-N 0 3 285.362 4.180 20 10 CICDHN Cc1cc(C[NH2+][C@H](C)c2ccccc2[O-])ccc1Cl ZINC000186757946 262108699 /nfs/dbraw/zinc/10/86/99/262108699.db2.gz YPBDJXOHZQUIEJ-GFCCVEGCSA-N 0 3 275.779 4.205 20 10 CICDHN CCSc1cccc(C[NH2+]Cc2cccc(C)c2[O-])c1 ZINC000292767391 263134864 /nfs/dbraw/zinc/13/48/64/263134864.db2.gz KCBUERZLCPNRKK-UHFFFAOYSA-N 0 3 287.428 4.102 20 10 CICDHN Cc1cc([C@@H](C)[NH2+][C@@H](C)c2ccccc2[O-])ccc1F ZINC000272856679 328200974 /nfs/dbraw/zinc/20/09/74/328200974.db2.gz MBKKUJOBMZGGIX-OLZOCXBDSA-N 0 3 273.351 4.252 20 10 CICDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000377654346 329023089 /nfs/dbraw/zinc/02/30/89/329023089.db2.gz TYSKDNSNWDKBSS-QZTJIDSGSA-N 0 3 296.414 4.384 20 10 CICDHN CC[C@H](c1ccccc1[O-])[N@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000377654346 329023090 /nfs/dbraw/zinc/02/30/90/329023090.db2.gz TYSKDNSNWDKBSS-QZTJIDSGSA-N 0 3 296.414 4.384 20 10 CICDHN Cc1ccc(O)c([C@H](C)N[C@@H]2CCOc3c(C)cccc32)c1 ZINC000189374951 329380440 /nfs/dbraw/zinc/38/04/40/329380440.db2.gz FVWAKNNROARKIW-WMLDXEAASA-N 0 3 297.398 4.183 20 10 CICDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCOc3c(C)cccc32)c1 ZINC000189374951 329380441 /nfs/dbraw/zinc/38/04/41/329380441.db2.gz FVWAKNNROARKIW-WMLDXEAASA-N 0 3 297.398 4.183 20 10 CICDHN Cc1ccc(O)c([C@@H](C)N[C@H]2CCOc3c(C)cccc32)c1 ZINC000189465585 329380961 /nfs/dbraw/zinc/38/09/61/329380961.db2.gz FVWAKNNROARKIW-PBHICJAKSA-N 0 3 297.398 4.183 20 10 CICDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCOc3c(C)cccc32)c1 ZINC000189465585 329380963 /nfs/dbraw/zinc/38/09/63/329380963.db2.gz FVWAKNNROARKIW-PBHICJAKSA-N 0 3 297.398 4.183 20 10 CICDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H]1CCc3cc(Cl)ccc31)CC2 ZINC000527995164 330299455 /nfs/dbraw/zinc/29/94/55/330299455.db2.gz ULKHJXFUJQPTHB-HZPDHXFCSA-N 0 3 299.801 4.310 20 10 CICDHN Cc1c2ccccc2n(C)c1CNc1cc(C)cc(C)n1 ZINC000490068936 332079792 /nfs/dbraw/zinc/07/97/92/332079792.db2.gz UWMKDVHDYHSFCK-UHFFFAOYSA-N 0 3 279.387 4.111 20 10 CICDHN Cc1cccc(C[NH2+][C@H]2CCc3cc(Cl)ccc32)c1[O-] ZINC000529666075 333504457 /nfs/dbraw/zinc/50/44/57/333504457.db2.gz PSKVYWKWCFLTSL-INIZCTEOSA-N 0 3 287.790 4.131 20 10 CICDHN CC(C)[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])c1ccccc1 ZINC000036967780 519799659 /nfs/dbraw/zinc/79/96/59/519799659.db2.gz FDLKJSHSYAJUNE-KBXCAEBGSA-N 0 3 269.388 4.440 20 10 CICDHN CC(C)[C@H]([NH2+][C@@H](C)c1ccccc1[O-])c1ccccc1 ZINC000036967778 519821428 /nfs/dbraw/zinc/82/14/28/519821428.db2.gz FDLKJSHSYAJUNE-KSSFIOAISA-N 0 3 269.388 4.440 20 10 CICDHN CC[C@H]([NH2+]C[C@@H](C)c1nccs1)c1ccc(C)cc1[O-] ZINC000279977658 522609061 /nfs/dbraw/zinc/60/90/61/522609061.db2.gz DJBPRQSENTZEDU-OCCSQVGLSA-N 0 3 290.432 4.002 20 10 CICDHN CC[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])c1ccc(OC)cc1 ZINC000037067446 522914325 /nfs/dbraw/zinc/91/43/25/522914325.db2.gz NVDFVPODSFAUPP-SUMWQHHRSA-N 0 3 285.387 4.203 20 10 CICDHN C[C@H]([NH2+]C1CCC(C(F)(F)F)CC1)c1ccccc1[O-] ZINC000037092641 525290059 /nfs/dbraw/zinc/29/00/59/525290059.db2.gz INJBWWAMDOBUJQ-UNXYVOJBSA-N 0 3 287.325 4.164 20 10 CICDHN Cc1ccc([C@@H](C)[NH2+]Cc2cccc(Cl)c2)c([O-])c1 ZINC000053148099 525733025 /nfs/dbraw/zinc/73/30/25/525733025.db2.gz SRPLWBZYVJWVQS-GFCCVEGCSA-N 0 3 275.779 4.205 20 10 CICDHN Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccccc2[O-])s1 ZINC000049158067 525742263 /nfs/dbraw/zinc/74/22/63/525742263.db2.gz WTPKZSOCSJZRMW-NWDGAFQWSA-N 0 3 261.390 4.174 20 10 CICDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCc3sccc32)c([O-])c1 ZINC000061359907 525744822 /nfs/dbraw/zinc/74/48/22/525744822.db2.gz YBRMCQQWTUCBTA-IUODEOHRSA-N 0 3 287.428 4.490 20 10 CICDHN Cc1ccc([C@@H](C)[NH2+]CCCOC2CCCCC2)c([O-])c1 ZINC000020191604 171057439 /nfs/dbraw/zinc/05/74/39/171057439.db2.gz QTEVKEBPWIYVCR-OAHLLOKOSA-N 0 3 291.435 4.091 20 10 CICDHN Cc1ccc(C)c([C@@H](C)NCc2ccc(N(C)C)cc2)c1 ZINC000021520181 171315567 /nfs/dbraw/zinc/31/55/67/171315567.db2.gz NGQJQDWWFHZKKI-MRXNPFEDSA-N 0 3 282.431 4.220 20 10 CICDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H](C)c2ccccc2)c1 ZINC000035628464 172307458 /nfs/dbraw/zinc/30/74/58/172307458.db2.gz ZKZYKPRHAHIVTE-KGLIPLIRSA-N 0 3 255.361 4.112 20 10 CICDHN C[C@@H](NCc1ccc2c(c1)CCO2)c1ccc(Cl)cc1 ZINC000037362743 173152014 /nfs/dbraw/zinc/15/20/14/173152014.db2.gz ZQXIBVCCOQXVSN-GFCCVEGCSA-N 0 3 287.790 4.126 20 10 CICDHN COc1cccc([C@H](C)[NH2+][C@H](C)c2ccc(C)cc2[O-])c1 ZINC000037771617 260116306 /nfs/dbraw/zinc/11/63/06/260116306.db2.gz PVQVGIGFLOSUSQ-UONOGXRCSA-N 0 3 285.387 4.121 20 10 CICDHN CC[C@@H]([NH2+][C@H]1CCc2cc(F)ccc21)c1ccccc1[O-] ZINC000155420985 261101444 /nfs/dbraw/zinc/10/14/44/261101444.db2.gz KMDJSAISCMQDDO-SJORKVTESA-N 0 3 285.362 4.260 20 10 CICDHN C[C@@H]([NH2+]Cc1ccccc1OCC1CC1)c1ccccc1[O-] ZINC000183524091 261978847 /nfs/dbraw/zinc/97/88/47/261978847.db2.gz OKHVBWOWTDIXMC-CQSZACIVSA-N 0 3 297.398 4.032 20 10 CICDHN C[C@@H]([NH2+]C1(c2ccccc2)CCC1)c1ccccc1[O-] ZINC000183653363 261984358 /nfs/dbraw/zinc/98/43/58/261984358.db2.gz ZDMYOVUWHRXNNV-CQSZACIVSA-N 0 3 267.372 4.122 20 10 CICDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCc3cc(F)ccc32)c([O-])c1 ZINC000185216590 262046326 /nfs/dbraw/zinc/04/63/26/262046326.db2.gz PDHFDKSXFYRESS-PXAZEXFGSA-N 0 3 285.362 4.178 20 10 CICDHN Cc1ccsc1C[NH2+][C@H](C)c1c(C)cc(C)cc1[O-] ZINC000293607266 263144387 /nfs/dbraw/zinc/14/43/87/263144387.db2.gz GJDLSSNBKZZOGF-CYBMUJFWSA-N 0 3 275.417 4.230 20 10 CICDHN COCc1cccc(C[NH2+][C@@H](C)c2c(C)cc(C)cc2[O-])c1 ZINC000293870241 263151325 /nfs/dbraw/zinc/15/13/25/263151325.db2.gz UVOJQEWPJLXFBE-HNNXBMFYSA-N 0 3 299.414 4.006 20 10 CICDHN COc1ccc([C@H](C)[NH2+][C@@H](C)c2cc(C)ccc2[O-])cc1 ZINC000090339565 327094041 /nfs/dbraw/zinc/09/40/41/327094041.db2.gz FSBWCVPWQAQNBE-KBPBESRZSA-N 0 3 285.387 4.121 20 10 CICDHN CC[C@H]([NH2+][C@H](C)c1ccc(OC)cc1)c1ccccc1[O-] ZINC000090339843 327094393 /nfs/dbraw/zinc/09/43/93/327094393.db2.gz PJAXJRLOSRUEFS-DYVFJYSZSA-N 0 3 285.387 4.203 20 10 CICDHN CC[C@@H](c1ccccc1[O-])[NH+]1CCC(c2ccncc2)CC1 ZINC000377689976 329025065 /nfs/dbraw/zinc/02/50/65/329025065.db2.gz FTARYKQUVQEBOS-SFHVURJKSA-N 0 3 296.414 4.118 20 10 CICDHN Cc1cc(C)c2c(c1)[C@H]([NH2+][C@@H](C)c1ccccc1[O-])CCO2 ZINC000378634309 329057230 /nfs/dbraw/zinc/05/72/30/329057230.db2.gz CBIGEDJJOWREQI-WMLDXEAASA-N 0 3 297.398 4.183 20 10 CICDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCOc3c(C)cccc32)c([O-])c1 ZINC000189367630 329380445 /nfs/dbraw/zinc/38/04/45/329380445.db2.gz VJDNLXRJVKPIFZ-WMLDXEAASA-N 0 3 297.398 4.183 20 10 CICDHN Cc1cccc([C@@H]([NH2+]Cc2ccccc2[O-])C(C)C)c1 ZINC000527813541 330285044 /nfs/dbraw/zinc/28/50/44/330285044.db2.gz MIAGQVSUZIWYPC-SFHVURJKSA-N 0 3 269.388 4.188 20 10 CICDHN [O-]c1cccc2c1[C@@H]([NH2+][C@H]1CCc3cc(Cl)ccc31)CC2 ZINC000527993434 330299349 /nfs/dbraw/zinc/29/93/49/330299349.db2.gz ULKHJXFUJQPTHB-HOTGVXAUSA-N 0 3 299.801 4.310 20 10 CICDHN Clc1ccc2c(c1)CC[C@@H]2NCc1ccc2c(c1)CCO2 ZINC000067501574 333638485 /nfs/dbraw/zinc/63/84/85/333638485.db2.gz SUFZYVPCIZEDAK-KRWDZBQOSA-N 0 3 299.801 4.052 20 10 CICDHN CC[C@H]([NH2+][C@@H](C)c1ccccc1[O-])c1ccc(OC)cc1 ZINC000037067444 522697939 /nfs/dbraw/zinc/69/79/39/522697939.db2.gz NVDFVPODSFAUPP-GUYCJALGSA-N 0 3 285.387 4.203 20 10 CICDHN CC[C@@H]([NH2+]Cc1ccccc1F)c1ccc(C)cc1[O-] ZINC000280272524 522882928 /nfs/dbraw/zinc/88/29/28/522882928.db2.gz XZBHQJCSWZUKCO-MRXNPFEDSA-N 0 3 273.351 4.081 20 10 CICDHN CC[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)c1ccccc1[O-] ZINC000036953105 522912565 /nfs/dbraw/zinc/91/25/65/522912565.db2.gz YWFPEYXAIBYPRT-MEDUHNTESA-N 0 3 291.341 4.472 20 10 CICDHN CC[C@@H]([NH2+][C@H]1CCCc2occc21)c1ccc(C)cc1[O-] ZINC000280016699 522948986 /nfs/dbraw/zinc/94/89/86/522948986.db2.gz HCDBGONEWTYGBB-CVEARBPZSA-N 0 3 285.387 4.412 20 10 CICDHN Cc1cc(C)c([C@@H](C)NCc2cc(F)ccc2F)c(O)c1 ZINC000293674187 524331710 /nfs/dbraw/zinc/33/17/10/524331710.db2.gz JYMXOKLTNOKEJJ-GFCCVEGCSA-N 0 3 291.341 4.138 20 10 CICDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCCc3sccc32)c1 ZINC000061360001 525361380 /nfs/dbraw/zinc/36/13/80/525361380.db2.gz DJOXINOMIUJALQ-IUODEOHRSA-N 0 3 287.428 4.490 20 10 CICDHN C[C@H]([NH2+]Cc1ccccc1[O-])c1ccc(C(F)(F)F)cc1 ZINC000037086724 525462143 /nfs/dbraw/zinc/46/21/43/525462143.db2.gz GCRQUMXJGUZHLA-NSHDSACASA-N 0 3 295.304 4.262 20 10 CICDHN C[C@@H](NCc1ccc(N2CCCC2)cc1)c1ccsc1 ZINC000061361506 525526245 /nfs/dbraw/zinc/52/62/45/525526245.db2.gz VOQPCOMPABWSHU-CQSZACIVSA-N 0 3 286.444 4.199 20 10 CICDHN C[C@@H]([NH2+]Cc1ccccc1[O-])c1cccc(C(F)(F)F)c1 ZINC000037074187 525537590 /nfs/dbraw/zinc/53/75/90/525537590.db2.gz LMRLWEBMFOGDQP-LLVKDONJSA-N 0 3 295.304 4.262 20 10 CICDHN C[C@H]([NH2+][C@H](c1ccccc1)C1CC1)c1cc(F)ccc1[O-] ZINC000094617413 525598143 /nfs/dbraw/zinc/59/81/43/525598143.db2.gz MCKPTFUHOHEYJH-KPZWWZAWSA-N 0 3 285.362 4.333 20 10 CICDHN C[C@@H]([NH2+][C@@H](c1ccccc1)C1CC1)c1ccccc1[O-] ZINC000037075384 525629252 /nfs/dbraw/zinc/62/92/52/525629252.db2.gz IJEIHKTWFRKNSO-ACJLOTCBSA-N 0 3 267.372 4.194 20 10 CICDHN C[C@@H]([NH2+][C@@H]1CCCc2sccc21)c1ccccc1[O-] ZINC000061359862 525641638 /nfs/dbraw/zinc/64/16/38/525641638.db2.gz SQGRMDYHTWHHAR-BXUZGUMPSA-N 0 3 273.401 4.182 20 10 CICDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H]2c2cccs2)cc1C ZINC000007143270 170268583 /nfs/dbraw/zinc/26/85/83/170268583.db2.gz WEQZHBQOYCDTJP-OAHLLOKOSA-N 0 3 287.428 4.408 20 10 CICDHN Cc1cc([O-])c(C[N@H+]2CCC[C@@H]2c2cccs2)cc1C ZINC000007143270 170268585 /nfs/dbraw/zinc/26/85/85/170268585.db2.gz WEQZHBQOYCDTJP-OAHLLOKOSA-N 0 3 287.428 4.408 20 10 CICDHN C[C@H](NCc1ccc(N(C)C)cc1)c1cccc(Cl)c1 ZINC000020124149 171006084 /nfs/dbraw/zinc/00/60/84/171006084.db2.gz FWYSDXVRQMLYAX-ZDUSSCGKSA-N 0 3 288.822 4.257 20 10 CICDHN COc1ccccc1[C@H](C)N[C@H](C)c1cc(C)ccc1O ZINC000035628751 172308015 /nfs/dbraw/zinc/30/80/15/172308015.db2.gz WEVGYLZPEPYHMI-UONOGXRCSA-N 0 3 285.387 4.121 20 10 CICDHN Cc1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(Cl)cc2)c1 ZINC000035628970 172308923 /nfs/dbraw/zinc/30/89/23/172308923.db2.gz ZYXVRJQMNVTKEX-LBPRGKRZSA-N 0 3 275.779 4.205 20 10 CICDHN COc1cccc([C@@H](C)[NH2+][C@H](C)c2ccc(C)cc2[O-])c1 ZINC000037771619 260116402 /nfs/dbraw/zinc/11/64/02/260116402.db2.gz PVQVGIGFLOSUSQ-ZIAGYGMSSA-N 0 3 285.387 4.121 20 10 CICDHN CC[C@H]([NH2+][C@H]1CCc2cc(F)ccc21)c1ccccc1[O-] ZINC000155420880 261101643 /nfs/dbraw/zinc/10/16/43/261101643.db2.gz KMDJSAISCMQDDO-IRXDYDNUSA-N 0 3 285.362 4.260 20 10 CICDHN CC[C@@H]([NH2+][C@@H]1CCCOc2ccccc21)c1ccccc1[O-] ZINC000155514653 261103052 /nfs/dbraw/zinc/10/30/52/261103052.db2.gz ZPSLQOPKRTYIFB-IAGOWNOFSA-N 0 3 297.398 4.347 20 10 CICDHN CC[C@H](NCc1nc(C(C)C)cs1)c1ccccc1O ZINC000156396194 261122207 /nfs/dbraw/zinc/12/22/07/261122207.db2.gz NTOIHAOVVMSOFX-ZDUSSCGKSA-N 0 3 290.432 4.213 20 10 CICDHN CC[C@@H](NCc1nc(C(C)C)cs1)c1ccccc1O ZINC000156396318 261122276 /nfs/dbraw/zinc/12/22/76/261122276.db2.gz NTOIHAOVVMSOFX-CYBMUJFWSA-N 0 3 290.432 4.213 20 10 CICDHN CCOc1cccc(CN(C)[C@@H](C)c2cccs2)c1O ZINC000157824719 261153151 /nfs/dbraw/zinc/15/31/51/261153151.db2.gz WDCAXFIOLSGLSI-LBPRGKRZSA-N 0 3 291.416 4.045 20 10 CICDHN CC[C@H]([NH2+]C[C@H](C)c1nc(C)cs1)c1ccccc1[O-] ZINC000158092381 261158462 /nfs/dbraw/zinc/15/84/62/261158462.db2.gz HWFBMWLBUHCFQT-FZMZJTMJSA-N 0 3 290.432 4.002 20 10 CICDHN CC[C@@H]([NH2+]C[C@@H](C)c1ncc(C)s1)c1ccccc1[O-] ZINC000158101678 261158470 /nfs/dbraw/zinc/15/84/70/261158470.db2.gz WFYALGSNCAIKRC-BXUZGUMPSA-N 0 3 290.432 4.002 20 10 CICDHN Cc1cccnc1[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])C(C)C ZINC000183514315 261978006 /nfs/dbraw/zinc/97/80/06/261978006.db2.gz ONLCJERRKVOFRI-YOEHRIQHSA-N 0 3 284.403 4.144 20 10 CICDHN C[C@@H](N[C@H](C)c1cc2c(cc1O)CCCC2)c1ccccn1 ZINC000184845876 262031032 /nfs/dbraw/zinc/03/10/32/262031032.db2.gz OOUDDZBEMAAOMH-ZIAGYGMSSA-N 0 3 296.414 4.078 20 10 CICDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCCOc3ccccc32)c1 ZINC000185270404 262048262 /nfs/dbraw/zinc/04/82/62/262048262.db2.gz XXOMEMKQABBSFT-YOEHRIQHSA-N 0 3 297.398 4.265 20 10 CICDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H](c2ncccc2C)C(C)C)c1 ZINC000185457703 262055001 /nfs/dbraw/zinc/05/50/01/262055001.db2.gz WVHNDROKHSYFKS-YJBOKZPZSA-N 0 3 298.430 4.452 20 10 CICDHN Cc1ccc([C@H](C)N[C@H](C)c2cccc(F)c2F)c(O)c1 ZINC000186208215 262084686 /nfs/dbraw/zinc/08/46/86/262084686.db2.gz ICMDZIDZDYHCDP-NWDGAFQWSA-N 0 3 291.341 4.391 20 10 CICDHN Cc1ccc(O)c([C@@H](C)N[C@@H](C)c2cccc(F)c2F)c1 ZINC000186207750 262084822 /nfs/dbraw/zinc/08/48/22/262084822.db2.gz XVWSGVZLMSARCR-NWDGAFQWSA-N 0 3 291.341 4.391 20 10 CICDHN C[C@@H]([NH2+]C1(c2cccc(F)c2)CC1)c1cc(F)ccc1[O-] ZINC000186321917 262089041 /nfs/dbraw/zinc/08/90/41/262089041.db2.gz CARDYAVNYXEJFX-LLVKDONJSA-N 0 3 289.325 4.010 20 10 CICDHN Cc1ccc([C@H](C)N[C@@H]2CCCc3occc32)c(O)c1C ZINC000273417069 263016698 /nfs/dbraw/zinc/01/66/98/263016698.db2.gz RAPIDZAQZCEWBQ-XJKSGUPXSA-N 0 3 285.387 4.330 20 10 CICDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCCc3occc32)c([O-])c1C ZINC000273417069 263016699 /nfs/dbraw/zinc/01/66/99/263016699.db2.gz RAPIDZAQZCEWBQ-XJKSGUPXSA-N 0 3 285.387 4.330 20 10 CICDHN COCc1cccc(C[NH2+][C@H](C)c2c(C)cc(C)cc2[O-])c1 ZINC000293870247 263151182 /nfs/dbraw/zinc/15/11/82/263151182.db2.gz UVOJQEWPJLXFBE-OAHLLOKOSA-N 0 3 299.414 4.006 20 10 CICDHN Cc1cc(C)c2c(c1)[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])CCO2 ZINC000378634310 329057177 /nfs/dbraw/zinc/05/71/77/329057177.db2.gz CBIGEDJJOWREQI-YOEHRIQHSA-N 0 3 297.398 4.183 20 10 CICDHN Cc1cc(C)c2c(c1)[C@@H]([NH2+][C@H](C)c1ccccc1[O-])CCO2 ZINC000378634307 329057247 /nfs/dbraw/zinc/05/72/47/329057247.db2.gz CBIGEDJJOWREQI-PBHICJAKSA-N 0 3 297.398 4.183 20 10 CICDHN CCOCc1ccccc1C[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000193892184 329062580 /nfs/dbraw/zinc/06/25/80/329062580.db2.gz WPQLBZFJIJUUNC-OAHLLOKOSA-N 0 3 299.414 4.088 20 10 CICDHN CCOCc1ccccc1C[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000193892166 329062610 /nfs/dbraw/zinc/06/26/10/329062610.db2.gz WPQLBZFJIJUUNC-HNNXBMFYSA-N 0 3 299.414 4.088 20 10 CICDHN Cc1cc(O)c(CN[C@@H](c2ccccn2)C2CCC2)cc1C ZINC000527773768 330282261 /nfs/dbraw/zinc/28/22/61/330282261.db2.gz QRDKSUHZKNQTAU-LJQANCHMSA-N 0 3 296.414 4.035 20 10 CICDHN Cc1ccc([C@@H](C)[NH2+][C@@H](c2ccccn2)C2CCC2)c([O-])c1 ZINC000527968545 330301445 /nfs/dbraw/zinc/30/14/45/330301445.db2.gz RXZWEFKOYCJFHQ-AUUYWEPGSA-N 0 3 296.414 4.288 20 10 CICDHN CC[C@@H](NCc1c(C)c2ccccc2n1C)c1ccncc1 ZINC000453233958 331104859 /nfs/dbraw/zinc/10/48/59/331104859.db2.gz XZKRFPUSMDCTBI-QGZVFWFLSA-N 0 3 293.414 4.123 20 10 CICDHN CCOc1cccc(C[NH2+][C@H](CC)c2ccccc2[O-])c1 ZINC000037679407 521375482 /nfs/dbraw/zinc/37/54/82/521375482.db2.gz TVZPJUISZSIFCS-QGZVFWFLSA-N 0 3 285.387 4.032 20 10 CICDHN CC[C@H]([NH2+]Cc1cccs1)c1ccc(C)cc1[O-] ZINC000279968278 522660163 /nfs/dbraw/zinc/66/01/63/522660163.db2.gz CVFPDPDFJCCILS-AWEZNQCLSA-N 0 3 261.390 4.003 20 10 CICDHN CC[C@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)c1ccccc1[O-] ZINC000036953104 522694501 /nfs/dbraw/zinc/69/45/01/522694501.db2.gz YWFPEYXAIBYPRT-ZBEGNZNMSA-N 0 3 291.341 4.472 20 10 CICDHN CC[C@H]([NH2+][C@H](C)c1ccccc1[O-])c1ccc(OC)cc1 ZINC000037067448 522741621 /nfs/dbraw/zinc/74/16/21/522741621.db2.gz NVDFVPODSFAUPP-DYVFJYSZSA-N 0 3 285.387 4.203 20 10 CICDHN CC[C@@H]([NH2+]Cc1ccc(F)cc1)c1ccc(C)cc1[O-] ZINC000280108493 522874499 /nfs/dbraw/zinc/87/44/99/522874499.db2.gz NMIXPPHLXASVGF-MRXNPFEDSA-N 0 3 273.351 4.081 20 10 CICDHN CC[C@@H]([NH2+]Cc1cccc(F)c1)c1ccc(C)cc1[O-] ZINC000279985257 522882103 /nfs/dbraw/zinc/88/21/03/522882103.db2.gz DXZRLTGWGVYEMC-MRXNPFEDSA-N 0 3 273.351 4.081 20 10 CICDHN CC[C@@H]([NH2+]Cc1sc(C)nc1C)c1ccc(C)cc1[O-] ZINC000279935405 522898891 /nfs/dbraw/zinc/89/88/91/522898891.db2.gz AYGNLNNZXUUMCI-CQSZACIVSA-N 0 3 290.432 4.015 20 10 CICDHN CC[C@@H]([NH2+][C@@H](C)c1cc(OC)ccc1[O-])c1ccccc1 ZINC000051626359 522911046 /nfs/dbraw/zinc/91/10/46/522911046.db2.gz ZVDSTNPSTKSZDE-SUMWQHHRSA-N 0 3 285.387 4.203 20 10 CICDHN CC[C@@H]([NH2+][C@@H](C)c1ccc(C)c(C)c1[O-])c1ccncc1 ZINC000273608534 522912334 /nfs/dbraw/zinc/91/23/34/522912334.db2.gz UYPQTGVRFLIISF-WMLDXEAASA-N 0 3 284.403 4.206 20 10 CICDHN CC[C@@H]([NH2+][C@@H](CC)c1ccc(C)cc1[O-])c1ccncc1 ZINC000280097380 522919332 /nfs/dbraw/zinc/91/93/32/522919332.db2.gz MVJFUAOCONVKBX-SJORKVTESA-N 0 3 284.403 4.288 20 10 CICDHN CC[C@@H]([NH2+][C@H](COC)c1ccccc1)c1ccc(C)cc1[O-] ZINC000279970054 522945603 /nfs/dbraw/zinc/94/56/03/522945603.db2.gz CWWPWHYXYONZOS-QZTJIDSGSA-N 0 3 299.414 4.129 20 10 CICDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCCc3ccccc32)c1 ZINC000120512820 524774378 /nfs/dbraw/zinc/77/43/78/524774378.db2.gz HATUPEMSPJXCRZ-SCLBCKFNSA-N 0 3 297.398 4.129 20 10 CICDHN C[C@H](NC1CC(F)(F)C1)c1ccc(N2CCCCC2)cc1 ZINC000277083246 525287958 /nfs/dbraw/zinc/28/79/58/525287958.db2.gz JVGJJAUDLWSZIA-ZDUSSCGKSA-N 0 3 294.389 4.125 20 10 CICDHN Cc1ccc([O-])c(C[NH2+]Cc2ccc(C(C)(F)F)cc2)c1 ZINC000293002964 525349765 /nfs/dbraw/zinc/34/97/65/525349765.db2.gz PBCBZXUSNJECRJ-UHFFFAOYSA-N 0 3 291.341 4.102 20 10 CICDHN Cc1cc([C@@H](C)[NH2+][C@@H](C)c2ccccc2[O-])c(C)s1 ZINC000037123057 525471842 /nfs/dbraw/zinc/47/18/42/525471842.db2.gz SOBRCQNLHITGNZ-NWDGAFQWSA-N 0 3 275.417 4.482 20 10 CICDHN Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCC(F)(F)C2)c([O-])c1C ZINC000281082430 525731221 /nfs/dbraw/zinc/73/12/21/525731221.db2.gz JKMJJBUXLOUYLD-OLZOCXBDSA-N 0 3 283.362 4.095 20 10 CICDHN Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccccc2[O-])s1 ZINC000049158075 525746303 /nfs/dbraw/zinc/74/63/03/525746303.db2.gz WTPKZSOCSJZRMW-VXGBXAGGSA-N 0 3 261.390 4.174 20 10 CICDHN Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccccc2[O-])s1 ZINC000049158070 525935748 /nfs/dbraw/zinc/93/57/48/525935748.db2.gz WTPKZSOCSJZRMW-RYUDHWBXSA-N 0 3 261.390 4.174 20 10 CICDHN Cc1ccccc1[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000020126170 171010002 /nfs/dbraw/zinc/01/00/02/171010002.db2.gz IHGHBKINRDQWIQ-ZIAGYGMSSA-N 0 3 255.361 4.112 20 10 CICDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCCc3occc32)c1 ZINC000035628963 172307823 /nfs/dbraw/zinc/30/78/23/172307823.db2.gz PTRLUOVXMQBQNC-DOMZBBRYSA-N 0 3 271.360 4.022 20 10 CICDHN Cc1ccc(O)c([C@@H](C)N[C@H]2CCCc3occc32)c1 ZINC000035628963 172307824 /nfs/dbraw/zinc/30/78/24/172307824.db2.gz PTRLUOVXMQBQNC-DOMZBBRYSA-N 0 3 271.360 4.022 20 10 CICDHN CC[C@@H]([NH2+][C@H](C)c1ccc(F)cc1F)c1ccccc1[O-] ZINC000036952765 260056015 /nfs/dbraw/zinc/05/60/15/260056015.db2.gz NYOATOPZPHOLSW-BDJLRTHQSA-N 0 3 291.341 4.472 20 10 CICDHN CC[C@H](N[C@H](C)c1c(F)cccc1F)c1ccccc1O ZINC000037771695 260116259 /nfs/dbraw/zinc/11/62/59/260116259.db2.gz AWDLZBXXJRBAQK-ABAIWWIYSA-N 0 3 291.341 4.472 20 10 CICDHN CC[C@@H](N[C@@H](C)c1c(F)cccc1F)c1ccccc1O ZINC000037771694 260116311 /nfs/dbraw/zinc/11/63/11/260116311.db2.gz AWDLZBXXJRBAQK-XHDPSFHLSA-N 0 3 291.341 4.472 20 10 CICDHN COc1cccc([C@H](C)[NH2+][C@@H](C)c2ccc(C)cc2[O-])c1 ZINC000037771618 260116407 /nfs/dbraw/zinc/11/64/07/260116407.db2.gz PVQVGIGFLOSUSQ-KBPBESRZSA-N 0 3 285.387 4.121 20 10 CICDHN CCN(C)c1ccc([C@H](C)NCc2cccs2)cc1 ZINC000156496717 261124512 /nfs/dbraw/zinc/12/45/12/261124512.db2.gz MFLBSXVONPELGC-ZDUSSCGKSA-N 0 3 274.433 4.055 20 10 CICDHN CC[C@@H]([NH2+]C[C@H](C)c1ncc(C)s1)c1ccccc1[O-] ZINC000158101963 261158443 /nfs/dbraw/zinc/15/84/43/261158443.db2.gz WFYALGSNCAIKRC-SMDDNHRTSA-N 0 3 290.432 4.002 20 10 CICDHN CC[C@@H](N[C@@H](CC)c1ccncc1)c1ccc(N(C)C)cc1 ZINC000163713131 261326355 /nfs/dbraw/zinc/32/63/55/261326355.db2.gz YKTHBQXGAMNPJV-MOPGFXCFSA-N 0 3 297.446 4.340 20 10 CICDHN C[C@H]([NH2+]CCCCOCc1ccccc1)c1ccccc1[O-] ZINC000183473219 261492430 /nfs/dbraw/zinc/49/24/30/261492430.db2.gz KYDSLJWOOZXCOS-INIZCTEOSA-N 0 3 299.414 4.040 20 10 CICDHN C[C@@H]([NH2+][C@H](C)c1cc2c(cc1[O-])CCCC2)c1cccnc1 ZINC000184883143 262032292 /nfs/dbraw/zinc/03/22/92/262032292.db2.gz ZXZVNCFGBVJJTL-ZIAGYGMSSA-N 0 3 296.414 4.078 20 10 CICDHN C[C@@H](N[C@H](C)c1cc2c(cc1O)CCCC2)c1cccnc1 ZINC000184883143 262032294 /nfs/dbraw/zinc/03/22/94/262032294.db2.gz ZXZVNCFGBVJJTL-ZIAGYGMSSA-N 0 3 296.414 4.078 20 10 CICDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCc3cc(F)ccc32)c1 ZINC000185216241 262045842 /nfs/dbraw/zinc/04/58/42/262045842.db2.gz BYQCADSBPIHNGE-SJCJKPOMSA-N 0 3 285.362 4.178 20 10 CICDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCCOc3ccccc32)c1 ZINC000185270388 262048524 /nfs/dbraw/zinc/04/85/24/262048524.db2.gz XXOMEMKQABBSFT-PBHICJAKSA-N 0 3 297.398 4.265 20 10 CICDHN C[C@@H]([NH2+][C@@H]1CCc2c1cccc2Cl)c1ccccc1[O-] ZINC000179904285 327803847 /nfs/dbraw/zinc/80/38/47/327803847.db2.gz UGRADPCWYNKSJT-BDJLRTHQSA-N 0 3 287.790 4.384 20 10 CICDHN CC(C)([NH2+]Cc1ccccc1[O-])c1cccc(Cl)c1 ZINC000119374390 327331860 /nfs/dbraw/zinc/33/18/60/327331860.db2.gz WCQJMFQKYDWGQJ-UHFFFAOYSA-N 0 3 275.779 4.071 20 10 CICDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000377689258 329024956 /nfs/dbraw/zinc/02/49/56/329024956.db2.gz DGVTWGCRJOGTQD-IRXDYDNUSA-N 0 3 282.387 4.075 20 10 CICDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CCC[C@H]1c1ccncc1 ZINC000377689258 329024957 /nfs/dbraw/zinc/02/49/57/329024957.db2.gz DGVTWGCRJOGTQD-IRXDYDNUSA-N 0 3 282.387 4.075 20 10 CICDHN Cc1cc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)ccn1 ZINC000527534032 330262801 /nfs/dbraw/zinc/26/28/01/330262801.db2.gz LAPUMFMJDNYBHU-UHFFFAOYSA-N 0 3 296.414 4.040 20 10 CICDHN Cc1cc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)ccn1 ZINC000527534032 330262802 /nfs/dbraw/zinc/26/28/02/330262802.db2.gz LAPUMFMJDNYBHU-UHFFFAOYSA-N 0 3 296.414 4.040 20 10 CICDHN CC[C@@H]([NH2+][C@H](c1ccccn1)C1CCC1)c1ccccc1[O-] ZINC000527962699 330300727 /nfs/dbraw/zinc/30/07/27/330300727.db2.gz HOXMQYORIZXXAP-APWZRJJASA-N 0 3 296.414 4.369 20 10 CICDHN CC[C@@H]([NH2+][C@@H](c1ccccn1)C1CCC1)c1ccccc1[O-] ZINC000527962705 330300757 /nfs/dbraw/zinc/30/07/57/330300757.db2.gz HOXMQYORIZXXAP-VQIMIIECSA-N 0 3 296.414 4.369 20 10 CICDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H](c2ccccn2)C2CCC2)c1 ZINC000527966068 330301087 /nfs/dbraw/zinc/30/10/87/330301087.db2.gz NOJBICUTMZBKFT-IFXJQAMLSA-N 0 3 296.414 4.288 20 10 CICDHN Cc1ccc(O)c([C@H](C)N[C@@H](c2ccccn2)C2CCC2)c1 ZINC000527966068 330301088 /nfs/dbraw/zinc/30/10/88/330301088.db2.gz NOJBICUTMZBKFT-IFXJQAMLSA-N 0 3 296.414 4.288 20 10 CICDHN Cc1c2ccccc2n(C)c1CN[C@H](C)c1cnccc1C ZINC000479447672 331730397 /nfs/dbraw/zinc/73/03/97/331730397.db2.gz CGVBITQFZPBEID-OAHLLOKOSA-N 0 3 293.414 4.041 20 10 CICDHN CC[C@H]([NH2+]Cc1ccccc1F)c1ccc(C)cc1[O-] ZINC000280272523 522655864 /nfs/dbraw/zinc/65/58/64/522655864.db2.gz XZBHQJCSWZUKCO-INIZCTEOSA-N 0 3 273.351 4.081 20 10 CICDHN CC[C@H]([NH2+][C@H]1CCO[C@H](C(C)(C)C)C1)c1ccccc1[O-] ZINC000274805857 522755765 /nfs/dbraw/zinc/75/57/65/522755765.db2.gz WPEJAVVHUKUMTO-QRTARXTBSA-N 0 3 291.435 4.027 20 10 CICDHN CC[C@@H]([NH2+][C@H]1CCc2c1cccc2O)c1ccc(C)cc1[O-] ZINC000280153956 522951780 /nfs/dbraw/zinc/95/17/80/522951780.db2.gz QHGSVXHHQDAXGF-SJORKVTESA-N 0 3 297.398 4.134 20 10 CICDHN COc1ccc(CNCc2ccc(C(F)F)cc2)cc1C ZINC000274218185 524072863 /nfs/dbraw/zinc/07/28/63/524072863.db2.gz YHMNOLVQGGAABD-UHFFFAOYSA-N 0 3 291.341 4.231 20 10 CICDHN Cc1cc(C)c([C@H](C)[NH2+]Cc2ccc(F)c(F)c2)c([O-])c1 ZINC000284123126 524333539 /nfs/dbraw/zinc/33/35/39/524333539.db2.gz NWUKREIVZJCQAG-LBPRGKRZSA-N 0 3 291.341 4.138 20 10 CICDHN Cc1ccc([O-])c(C[NH2+][C@@H]2CCSc3ccccc32)c1 ZINC000071407823 525351237 /nfs/dbraw/zinc/35/12/37/525351237.db2.gz CBLUTFDOEVKYHE-OAHLLOKOSA-N 0 3 285.412 4.027 20 10 CICDHN Cc1ccc([O-])c(C[NH2+][C@H](C)c2ccc(Cl)cc2)c1 ZINC000071406348 525353395 /nfs/dbraw/zinc/35/33/95/525353395.db2.gz PQBXXXITJVVOEK-GFCCVEGCSA-N 0 3 275.779 4.205 20 10 CICDHN C[C@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)c1ccccc1[O-] ZINC000061626366 525435665 /nfs/dbraw/zinc/43/56/65/525435665.db2.gz GKHKUBUTTPBRMS-NSHDSACASA-N 0 3 295.304 4.262 20 10 CICDHN Cc1cc([C@H](C)[NH2+][C@H](C)c2ccccc2[O-])c(C)s1 ZINC000037123060 525529826 /nfs/dbraw/zinc/52/98/26/525529826.db2.gz SOBRCQNLHITGNZ-NEPJUHHUSA-N 0 3 275.417 4.482 20 10 CICDHN C[C@@H]([NH2+]Cc1ccccc1[O-])c1ccc(C(F)(F)F)cc1 ZINC000037086725 525538886 /nfs/dbraw/zinc/53/88/86/525538886.db2.gz GCRQUMXJGUZHLA-LLVKDONJSA-N 0 3 295.304 4.262 20 10 CICDHN C[C@@H](N[C@@H](C)c1ccccc1O)c1ccc(F)cc1F ZINC000036952868 525613952 /nfs/dbraw/zinc/61/39/52/525613952.db2.gz ORVFBDNRJDALFO-MNOVXSKESA-N 0 3 277.314 4.082 20 10 CICDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])c1ccc(Cl)cc1 ZINC000020121925 171002136 /nfs/dbraw/zinc/00/21/36/171002136.db2.gz NAEZAQYWXRKBDS-VXGBXAGGSA-N 0 3 275.779 4.457 20 10 CICDHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])c1cccc(Cl)c1 ZINC000020124219 171006463 /nfs/dbraw/zinc/00/64/63/171006463.db2.gz AHYRRIUVGZSXTN-RYUDHWBXSA-N 0 3 275.779 4.457 20 10 CICDHN CC[C@@H]([NH2+][C@@H]1CCc2ccccc21)c1ccccc1[O-] ZINC000020129894 171018801 /nfs/dbraw/zinc/01/88/01/171018801.db2.gz RYHZMVLVKVDJIM-IAGOWNOFSA-N 0 3 267.372 4.120 20 10 CICDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCCc3ccccc32)c([O-])c1 ZINC000020133802 171021924 /nfs/dbraw/zinc/02/19/24/171021924.db2.gz VIVWPXZNFBMOHL-KDOFPFPSSA-N 0 3 281.399 4.429 20 10 CICDHN CC[C@H]([NH2+][C@H]1CCCc2occc21)c1ccccc1[O-] ZINC000020204643 171068985 /nfs/dbraw/zinc/06/89/85/171068985.db2.gz WMBRLJDXGTVIDS-GJZGRUSLSA-N 0 3 271.360 4.104 20 10 CICDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCCc3ccccc32)c1 ZINC000035628838 172307729 /nfs/dbraw/zinc/30/77/29/172307729.db2.gz MMAWQCVVAZZHGW-KBXCAEBGSA-N 0 3 281.399 4.429 20 10 CICDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCCc3ccccc32)c1 ZINC000035628839 172307957 /nfs/dbraw/zinc/30/79/57/172307957.db2.gz MMAWQCVVAZZHGW-KDOFPFPSSA-N 0 3 281.399 4.429 20 10 CICDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCCc3occc32)c1 ZINC000035628962 172308438 /nfs/dbraw/zinc/30/84/38/172308438.db2.gz PTRLUOVXMQBQNC-SWLSCSKDSA-N 0 3 271.360 4.022 20 10 CICDHN Cc1ccc(O)c([C@H](C)N[C@@H]2CCCc3occc32)c1 ZINC000035628962 172308440 /nfs/dbraw/zinc/30/84/40/172308440.db2.gz PTRLUOVXMQBQNC-SWLSCSKDSA-N 0 3 271.360 4.022 20 10 CICDHN COc1cccc([C@@H](C)[NH2+][C@H](C)c2cc(C)ccc2[O-])c1 ZINC000037771605 260116288 /nfs/dbraw/zinc/11/62/88/260116288.db2.gz TZYWIHFFAYUVCZ-ZIAGYGMSSA-N 0 3 285.387 4.121 20 10 CICDHN CC[C@@H](NCc1cccs1)c1ccc(N(C)C)cc1 ZINC000156514079 261124419 /nfs/dbraw/zinc/12/44/19/261124419.db2.gz TWJVTEKMZQFXMX-MRXNPFEDSA-N 0 3 274.433 4.055 20 10 CICDHN CC[C@@H](N[C@@H](C)c1ccc(N(C)CC)cc1)c1ccncc1 ZINC000163655550 261324905 /nfs/dbraw/zinc/32/49/05/261324905.db2.gz CSRQMYRUMSJIAJ-HNAYVOBHSA-N 0 3 297.446 4.340 20 10 CICDHN Cc1cccnc1[C@H]([NH2+][C@H](C)c1ccccc1[O-])C(C)C ZINC000183514332 261977618 /nfs/dbraw/zinc/97/76/18/261977618.db2.gz ONLCJERRKVOFRI-RHSMWYFYSA-N 0 3 284.403 4.144 20 10 CICDHN C[C@H]([NH2+]Cc1ccsc1)c1cc2c(cc1[O-])CCCC2 ZINC000185020164 262037511 /nfs/dbraw/zinc/03/75/11/262037511.db2.gz ZWUMAMDBLUTZSR-LBPRGKRZSA-N 0 3 287.428 4.183 20 10 CICDHN C[C@@H]([NH2+][C@@H]1CCc2cc(F)ccc21)c1cc(F)ccc1[O-] ZINC000185216759 262046549 /nfs/dbraw/zinc/04/65/49/262046549.db2.gz RDRAMCUCCKABEI-QLJPJBMISA-N 0 3 289.325 4.009 20 10 CICDHN CCc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])s1 ZINC000185026561 262301352 /nfs/dbraw/zinc/30/13/52/262301352.db2.gz ZANCTTZQHSDELN-JTQLQIEISA-N 0 3 279.380 4.006 20 10 CICDHN CC[C@H]([NH2+]Cc1cc(OC)ccc1[O-])c1cc(C)ccc1C ZINC000527869903 330286148 /nfs/dbraw/zinc/28/61/48/330286148.db2.gz OWWUOAVLNAZJKT-SFHVURJKSA-N 0 3 299.414 4.259 20 10 CICDHN CSc1ccc([C@@H](C)[NH2+]Cc2cc(F)ccc2[O-])cc1 ZINC000226583940 333265605 /nfs/dbraw/zinc/26/56/05/333265605.db2.gz MPXQTIJVSNTTPE-LLVKDONJSA-N 0 3 291.391 4.104 20 10 CICDHN CCOc1cccc(C[NH2+]C(C)(C)c2ccccc2C)c1[O-] ZINC000293070081 521359966 /nfs/dbraw/zinc/35/99/66/521359966.db2.gz SVMCRVQDQZJYOJ-UHFFFAOYSA-N 0 3 299.414 4.124 20 10 CICDHN CC[C@H]([NH2+]Cc1cccc(COC)c1)c1ccc(C)cc1[O-] ZINC000280233701 522652038 /nfs/dbraw/zinc/65/20/38/522652038.db2.gz VMJCQCBDRVRUDD-SFHVURJKSA-N 0 3 299.414 4.088 20 10 CICDHN CC[C@H]([NH2+]Cc1ccccc1COC)c1ccc(C)cc1[O-] ZINC000280115457 522657580 /nfs/dbraw/zinc/65/75/80/522657580.db2.gz NYEMWZARIOGAJA-SFHVURJKSA-N 0 3 299.414 4.088 20 10 CICDHN CC[C@H]([NH2+][C@@H](COC)c1ccccc1)c1ccc(C)cc1[O-] ZINC000279970056 522709451 /nfs/dbraw/zinc/70/94/51/522709451.db2.gz CWWPWHYXYONZOS-ROUUACIJSA-N 0 3 299.414 4.129 20 10 CICDHN CC[C@H]([NH2+][C@H](C)c1cc(OC)ccc1[O-])c1ccccc1 ZINC000051626360 522738680 /nfs/dbraw/zinc/73/86/80/522738680.db2.gz ZVDSTNPSTKSZDE-DYVFJYSZSA-N 0 3 285.387 4.203 20 10 CICDHN CC[C@@H]([NH2+]C[C@@H](C)c1nccs1)c1ccc(C)cc1[O-] ZINC000279977660 522848471 /nfs/dbraw/zinc/84/84/71/522848471.db2.gz DJBPRQSENTZEDU-TZMCWYRMSA-N 0 3 290.432 4.002 20 10 CICDHN CC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc(C)cc1[O-] ZINC000280020201 522877429 /nfs/dbraw/zinc/87/74/29/522877429.db2.gz HJFAYYCQMCUNDG-GOSISDBHSA-N 0 3 298.430 4.008 20 10 CICDHN CC[C@@H]([NH2+]Cc1cccc(COC)c1)c1ccc(C)cc1[O-] ZINC000280233697 522879981 /nfs/dbraw/zinc/87/99/81/522879981.db2.gz VMJCQCBDRVRUDD-GOSISDBHSA-N 0 3 299.414 4.088 20 10 CICDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCCc3ccccc32)c1 ZINC000120513128 524774532 /nfs/dbraw/zinc/77/45/32/524774532.db2.gz HATUPEMSPJXCRZ-UGSOOPFHSA-N 0 3 297.398 4.129 20 10 CICDHN Cc1ccc(O)c(CN[C@@H](C)c2ccccc2Cl)c1 ZINC000071406382 525352363 /nfs/dbraw/zinc/35/23/63/525352363.db2.gz QQHVLDDGNNMAGJ-LBPRGKRZSA-N 0 3 275.779 4.205 20 10 CICDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCCc3sccc32)c1 ZINC000061360003 525361658 /nfs/dbraw/zinc/36/16/58/525361658.db2.gz DJOXINOMIUJALQ-DOMZBBRYSA-N 0 3 287.428 4.490 20 10 CICDHN Cc1ccc(O)c([C@H](C)N[C@@H](C)c2ccc(F)cc2F)c1 ZINC000036952893 525364865 /nfs/dbraw/zinc/36/48/65/525364865.db2.gz PMCDJWNQTBNIDT-RYUDHWBXSA-N 0 3 291.341 4.391 20 10 CICDHN C[C@H]([NH2+]Cc1ccccc1[O-])c1cccc(C(F)(F)F)c1 ZINC000037074186 525463431 /nfs/dbraw/zinc/46/34/31/525463431.db2.gz LMRLWEBMFOGDQP-NSHDSACASA-N 0 3 295.304 4.262 20 10 CICDHN C[C@H]([NH2+]Cc1ccccc1C(F)(F)F)c1ccccc1[O-] ZINC000061626117 525463460 /nfs/dbraw/zinc/46/34/60/525463460.db2.gz ZPCJODUMOIQQPA-NSHDSACASA-N 0 3 295.304 4.262 20 10 CICDHN C[C@@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)c1ccccc1[O-] ZINC000061626367 525517794 /nfs/dbraw/zinc/51/77/94/525517794.db2.gz GKHKUBUTTPBRMS-LLVKDONJSA-N 0 3 295.304 4.262 20 10 CICDHN C[C@H](N[C@H]1CCCc2occc21)c1ccc(N(C)C)cc1 ZINC000037241858 525613609 /nfs/dbraw/zinc/61/36/09/525613609.db2.gz GXGJYAQPLVYKHO-GUYCJALGSA-N 0 3 284.403 4.074 20 10 CICDHN C[C@H]([NH2+][C@H]1CCCc2sccc21)c1cc(F)ccc1[O-] ZINC000094618125 525613825 /nfs/dbraw/zinc/61/38/25/525613825.db2.gz VAQORAAUOVHBDD-HZMBPMFUSA-N 0 3 291.391 4.321 20 10 CICDHN C[C@@H]([NH2+][C@H]1CCCc2sccc21)c1cc(F)ccc1[O-] ZINC000094618126 525681702 /nfs/dbraw/zinc/68/17/02/525681702.db2.gz VAQORAAUOVHBDD-YGRLFVJLSA-N 0 3 291.391 4.321 20 10 CICDHN Cc1ccoc1CN[C@H](C)c1cc2c(cc1O)CCCC2 ZINC000293238564 525807340 /nfs/dbraw/zinc/80/73/40/525807340.db2.gz BELROOOJVNNEDJ-CYBMUJFWSA-N 0 3 285.387 4.023 20 10 CICDHN Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccccc2[O-])s1 ZINC000049158079 525943037 /nfs/dbraw/zinc/94/30/37/525943037.db2.gz WTPKZSOCSJZRMW-NEPJUHHUSA-N 0 3 261.390 4.174 20 10 CICDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCCc3sccc32)c([O-])c1 ZINC000061359910 525945186 /nfs/dbraw/zinc/94/51/86/525945186.db2.gz YBRMCQQWTUCBTA-WFASDCNBSA-N 0 3 287.428 4.490 20 10 CICDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@H]2c2cccs2)cc1C ZINC000007143274 170268343 /nfs/dbraw/zinc/26/83/43/170268343.db2.gz WEQZHBQOYCDTJP-HNNXBMFYSA-N 0 3 287.428 4.408 20 10 CICDHN Cc1cc([O-])c(C[N@H+]2CCC[C@H]2c2cccs2)cc1C ZINC000007143274 170268344 /nfs/dbraw/zinc/26/83/44/170268344.db2.gz WEQZHBQOYCDTJP-HNNXBMFYSA-N 0 3 287.428 4.408 20 10 CICDHN C[C@H](NCc1ccc(N(C)C)cc1)c1ccc(Cl)cc1 ZINC000020121854 171001353 /nfs/dbraw/zinc/00/13/53/171001353.db2.gz IOIPYGVOOUWAKK-ZDUSSCGKSA-N 0 3 288.822 4.257 20 10 CICDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H](C)c2ccccc2C)c1 ZINC000020126249 171010166 /nfs/dbraw/zinc/01/01/66/171010166.db2.gz UYABPICDPPTNKV-KGLIPLIRSA-N 0 3 285.387 4.121 20 10 CICDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@H](C)c2ccccc2)c1 ZINC000035628463 172307492 /nfs/dbraw/zinc/30/74/92/172307492.db2.gz ZKZYKPRHAHIVTE-ZIAGYGMSSA-N 0 3 255.361 4.112 20 10 CICDHN Cc1ccc([O-])c(C[NH2+][C@H](C)c2cccc(Cl)c2)c1 ZINC000071406385 176155949 /nfs/dbraw/zinc/15/59/49/176155949.db2.gz HGGYMOOUFJEYJD-GFCCVEGCSA-N 0 3 275.779 4.205 20 10 CICDHN C[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)c1ccccc1 ZINC000037185764 260072809 /nfs/dbraw/zinc/07/28/09/260072809.db2.gz BVGRDHRWLBRNTG-HUUCEWRRSA-N 0 3 268.404 4.164 20 10 CICDHN C[C@H](NCc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC000037185769 260073141 /nfs/dbraw/zinc/07/31/41/260073141.db2.gz ZJZBCXYUXBLDGF-INIZCTEOSA-N 0 3 280.415 4.138 20 10 CICDHN CC[C@@H]([NH2+]Cc1ccc(F)c(C)c1)c1ccccc1[O-] ZINC000154974388 261096762 /nfs/dbraw/zinc/09/67/62/261096762.db2.gz ZTYMFCGIXZVNQJ-MRXNPFEDSA-N 0 3 273.351 4.081 20 10 CICDHN C[C@H]([NH2+]Cc1ccc(C(F)F)cc1)c1ccccc1[O-] ZINC000183988042 262003552 /nfs/dbraw/zinc/00/35/52/262003552.db2.gz YSCZAZIRQBFFIP-NSHDSACASA-N 0 3 277.314 4.181 20 10 CICDHN C[C@@H]([NH2+][C@@H](C)c1cc2c(cc1[O-])CCCC2)c1cccnc1 ZINC000184883106 262032245 /nfs/dbraw/zinc/03/22/45/262032245.db2.gz ZXZVNCFGBVJJTL-KGLIPLIRSA-N 0 3 296.414 4.078 20 10 CICDHN C[C@@H](N[C@@H](C)c1cc2c(cc1O)CCCC2)c1cccnc1 ZINC000184883106 262032246 /nfs/dbraw/zinc/03/22/46/262032246.db2.gz ZXZVNCFGBVJJTL-KGLIPLIRSA-N 0 3 296.414 4.078 20 10 CICDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCc3cc(F)ccc32)c1 ZINC000185216184 262046421 /nfs/dbraw/zinc/04/64/21/262046421.db2.gz BYQCADSBPIHNGE-SJKOYZFVSA-N 0 3 285.362 4.178 20 10 CICDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCCOc3ccccc32)c1 ZINC000185270372 262047974 /nfs/dbraw/zinc/04/79/74/262047974.db2.gz XXOMEMKQABBSFT-WMLDXEAASA-N 0 3 297.398 4.265 20 10 CICDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCCOc3ccccc32)c1 ZINC000185270347 262048451 /nfs/dbraw/zinc/04/84/51/262048451.db2.gz XXOMEMKQABBSFT-RHSMWYFYSA-N 0 3 297.398 4.265 20 10 CICDHN Cc1ccc(O)c([C@@H](C)NC2(c3ccccc3F)CC2)c1 ZINC000186322422 262089074 /nfs/dbraw/zinc/08/90/74/262089074.db2.gz WMKXJZCQKJSLRR-CYBMUJFWSA-N 0 3 285.362 4.180 20 10 CICDHN CCc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])s1 ZINC000185026578 262301209 /nfs/dbraw/zinc/30/12/09/262301209.db2.gz ZANCTTZQHSDELN-SNVBAGLBSA-N 0 3 279.380 4.006 20 10 CICDHN C[C@H]([NH2+][C@H]1CCc2c1cccc2Cl)c1ccccc1[O-] ZINC000179904299 327803683 /nfs/dbraw/zinc/80/36/83/327803683.db2.gz UGRADPCWYNKSJT-ZBEGNZNMSA-N 0 3 287.790 4.384 20 10 CICDHN Cc1cc([O-])c(C[NH2+]Cc2ccc(C(F)F)cc2)cc1C ZINC000185173657 327837017 /nfs/dbraw/zinc/83/70/17/327837017.db2.gz CDBRGUFRDDSJHJ-UHFFFAOYSA-N 0 3 291.341 4.236 20 10 CICDHN Cc1cc([C@@H](C)[NH2+][C@H](C)c2ccccc2[O-])ccc1F ZINC000272856677 328200834 /nfs/dbraw/zinc/20/08/34/328200834.db2.gz MBKKUJOBMZGGIX-CHWSQXEVSA-N 0 3 273.351 4.252 20 10 CICDHN COc1cccc(C[NH2+][C@@H](c2cccc(C)c2)C(C)C)c1[O-] ZINC000527814274 326870926 /nfs/dbraw/zinc/87/09/26/326870926.db2.gz PWOBCRZSWZCWLR-GOSISDBHSA-N 0 3 299.414 4.196 20 10 CICDHN Cc1ccc(O)c([C@@H](C)N[C@@H]2CCOc3c(C)cccc32)c1 ZINC000189374932 329380465 /nfs/dbraw/zinc/38/04/65/329380465.db2.gz FVWAKNNROARKIW-RHSMWYFYSA-N 0 3 297.398 4.183 20 10 CICDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCOc3c(C)cccc32)c1 ZINC000189374932 329380467 /nfs/dbraw/zinc/38/04/67/329380467.db2.gz FVWAKNNROARKIW-RHSMWYFYSA-N 0 3 297.398 4.183 20 10 CICDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCOc3c(C)cccc32)c([O-])c1 ZINC000189460611 329381071 /nfs/dbraw/zinc/38/10/71/329381071.db2.gz VJDNLXRJVKPIFZ-YOEHRIQHSA-N 0 3 297.398 4.183 20 10 CICDHN Cc1cc(O)c(CN[C@H](c2ccccn2)C2CCC2)cc1C ZINC000527773767 330282191 /nfs/dbraw/zinc/28/21/91/330282191.db2.gz QRDKSUHZKNQTAU-IBGZPJMESA-N 0 3 296.414 4.035 20 10 CICDHN CCOc1cccc(C[NH2+][C@H](c2ccccc2)C2CC2)c1[O-] ZINC000236924413 333376570 /nfs/dbraw/zinc/37/65/70/333376570.db2.gz VRWGUQSGCNRWOV-GOSISDBHSA-N 0 3 297.398 4.032 20 10 CICDHN CC[C@@H]([NH2+]Cc1sccc1C)c1ccccc1[O-] ZINC000094875229 522898088 /nfs/dbraw/zinc/89/80/88/522898088.db2.gz XHLMFWSCVIREND-CYBMUJFWSA-N 0 3 261.390 4.003 20 10 CICDHN Cc1cccc(C[NH2+][C@@H]2CCSc3ccccc32)c1[O-] ZINC000158067612 524437794 /nfs/dbraw/zinc/43/77/94/524437794.db2.gz DFUCQEQMWJAMCY-OAHLLOKOSA-N 0 3 285.412 4.027 20 10 CICDHN Cc1ccc([O-])c(C[NH2+][C@@H](C)c2ccc(Cl)cc2)c1 ZINC000071406347 525352582 /nfs/dbraw/zinc/35/25/82/525352582.db2.gz PQBXXXITJVVOEK-LBPRGKRZSA-N 0 3 275.779 4.205 20 10 CICDHN Cc1ccc(O)c(CN[C@H](C)c2ccccc2Cl)c1 ZINC000071406383 525355396 /nfs/dbraw/zinc/35/53/96/525355396.db2.gz QQHVLDDGNNMAGJ-GFCCVEGCSA-N 0 3 275.779 4.205 20 10 CICDHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])c1ccc(F)c(F)c1 ZINC000036953216 525535328 /nfs/dbraw/zinc/53/53/28/525535328.db2.gz CDSRBWLDLGGWBM-QWRGUYRKSA-N 0 3 277.314 4.082 20 10 CICDHN C[C@H](N[C@@H]1CCCc2occc21)c1ccc(N(C)C)cc1 ZINC000037241854 525563277 /nfs/dbraw/zinc/56/32/77/525563277.db2.gz GXGJYAQPLVYKHO-SUMWQHHRSA-N 0 3 284.403 4.074 20 10 CICDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCCc3sccc32)c([O-])c1 ZINC000061359909 525750576 /nfs/dbraw/zinc/75/05/76/525750576.db2.gz YBRMCQQWTUCBTA-DOMZBBRYSA-N 0 3 287.428 4.490 20 10 CICDHN C[C@H]([NH2+]Cc1cccc(C(F)(F)F)c1)c1ccccc1[O-] ZINC000019906713 170918812 /nfs/dbraw/zinc/91/88/12/170918812.db2.gz WXCBZEPRDSNCJG-NSHDSACASA-N 0 3 295.304 4.262 20 10 CICDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])c1ccccc1Cl ZINC000020124035 171005420 /nfs/dbraw/zinc/00/54/20/171005420.db2.gz MWUDCCSXPCIQOW-NEPJUHHUSA-N 0 3 275.779 4.457 20 10 CICDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])c1cccc(Cl)c1 ZINC000020124220 171006539 /nfs/dbraw/zinc/00/65/39/171006539.db2.gz AHYRRIUVGZSXTN-VXGBXAGGSA-N 0 3 275.779 4.457 20 10 CICDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCc3ccccc32)c1 ZINC000035628829 172308333 /nfs/dbraw/zinc/30/83/33/172308333.db2.gz NXVHKDHUTSQQLX-CXAGYDPISA-N 0 3 267.372 4.039 20 10 CICDHN Cc1ccc(O)c([C@@H](C)NCc2ccccc2Cl)c1 ZINC000035628575 260030559 /nfs/dbraw/zinc/03/05/59/260030559.db2.gz OLAIZMNFWHPOPJ-GFCCVEGCSA-N 0 3 275.779 4.205 20 10 CICDHN CC[C@H]([NH2+]C[C@@H](C)c1ncc(C)s1)c1ccccc1[O-] ZINC000158101553 261158715 /nfs/dbraw/zinc/15/87/15/261158715.db2.gz WFYALGSNCAIKRC-RISCZKNCSA-N 0 3 290.432 4.002 20 10 CICDHN CC[C@@H](N[C@H](C)c1ccc(N(C)CC)cc1)c1ccncc1 ZINC000163655784 261324229 /nfs/dbraw/zinc/32/42/29/261324229.db2.gz CSRQMYRUMSJIAJ-DNVCBOLYSA-N 0 3 297.446 4.340 20 10 CICDHN CC[C@H](N[C@@H](CC)c1ccc(N(C)C)cc1)c1ccncc1 ZINC000163713029 261325937 /nfs/dbraw/zinc/32/59/37/261325937.db2.gz YKTHBQXGAMNPJV-OALUTQOASA-N 0 3 297.446 4.340 20 10 CICDHN CCN(CC)c1ccc(CN[C@H](C)c2cncc(C)c2)cc1 ZINC000184286412 262014607 /nfs/dbraw/zinc/01/46/07/262014607.db2.gz YLMOLXSSTJFGBQ-MRXNPFEDSA-N 0 3 297.446 4.087 20 10 CICDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCCOc3ccccc32)c([O-])c1 ZINC000185270958 262048290 /nfs/dbraw/zinc/04/82/90/262048290.db2.gz RWSDAMCGSXFNRF-WMLDXEAASA-N 0 3 297.398 4.265 20 10 CICDHN Cc1ccc(O)c([C@H](C)N[C@H](C)c2cccc(F)c2F)c1 ZINC000186207808 262084754 /nfs/dbraw/zinc/08/47/54/262084754.db2.gz XVWSGVZLMSARCR-NEPJUHHUSA-N 0 3 291.341 4.391 20 10 CICDHN Cc1ccc([C@H](C)NC2(c3ccccc3F)CC2)c(O)c1 ZINC000186322715 262088704 /nfs/dbraw/zinc/08/87/04/262088704.db2.gz JWGUXMRSYSDUOL-ZDUSSCGKSA-N 0 3 285.362 4.180 20 10 CICDHN Cc1cccc(CNCc2cc(C3CC3)ccc2F)c1O ZINC000295071079 263171866 /nfs/dbraw/zinc/17/18/66/263171866.db2.gz HKDSFJRBXNGYLR-UHFFFAOYSA-N 0 3 285.362 4.007 20 10 CICDHN COc1ccc([C@@H](C)[NH2+][C@H](C)c2cc(C)ccc2[O-])cc1 ZINC000090339566 327094209 /nfs/dbraw/zinc/09/42/09/327094209.db2.gz FSBWCVPWQAQNBE-ZIAGYGMSSA-N 0 3 285.387 4.121 20 10 CICDHN CC[C@H](c1ccccc1[O-])[N@H+](C)[C@H]1CCCc2cccnc21 ZINC000377708781 329026290 /nfs/dbraw/zinc/02/62/90/329026290.db2.gz XYUIJAWYBODPKA-SJORKVTESA-N 0 3 296.414 4.248 20 10 CICDHN CC[C@H](c1ccccc1[O-])[N@@H+](C)[C@H]1CCCc2cccnc21 ZINC000377708781 329026292 /nfs/dbraw/zinc/02/62/92/329026292.db2.gz XYUIJAWYBODPKA-SJORKVTESA-N 0 3 296.414 4.248 20 10 CICDHN CC[C@@H]([NH2+]Cc1ccccc1[O-])c1cc(C)ccc1C ZINC000527824843 330286599 /nfs/dbraw/zinc/28/65/99/330286599.db2.gz YXXBZTMUOXOUMQ-QGZVFWFLSA-N 0 3 269.388 4.250 20 10 CICDHN Cc1cccc(C[NH2+][C@@H]2CCc3cc(Cl)ccc32)c1[O-] ZINC000529666078 333504446 /nfs/dbraw/zinc/50/44/46/333504446.db2.gz PSKVYWKWCFLTSL-MRXNPFEDSA-N 0 3 287.790 4.131 20 10 CICDHN CCC[C@H]([NH2+]Cc1ccccc1[O-])c1ccccc1 ZINC000037062427 521163547 /nfs/dbraw/zinc/16/35/47/521163547.db2.gz LPNAQHBQLVNEBJ-INIZCTEOSA-N 0 3 255.361 4.023 20 10 CICDHN CC[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc(C)cc1[O-] ZINC000280020203 522649363 /nfs/dbraw/zinc/64/93/63/522649363.db2.gz HJFAYYCQMCUNDG-SFHVURJKSA-N 0 3 298.430 4.008 20 10 CICDHN CC[C@H]([NH2+]Cc1ccsc1)c1ccc(C)cc1[O-] ZINC000280289950 522658553 /nfs/dbraw/zinc/65/85/53/522658553.db2.gz ZDXSDOYVNMULGY-AWEZNQCLSA-N 0 3 261.390 4.003 20 10 CICDHN CC[C@H]([NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1)c1ccccc1[O-] ZINC000274805851 522756580 /nfs/dbraw/zinc/75/65/80/522756580.db2.gz WPEJAVVHUKUMTO-JLJPHGGASA-N 0 3 291.435 4.027 20 10 CICDHN CC[C@H]([NH2+][C@H]1CCO[C@@H](CC(C)C)C1)c1ccccc1[O-] ZINC000274725230 522757434 /nfs/dbraw/zinc/75/74/34/522757434.db2.gz ANCQBOFDZARPQW-ZOBUZTSGSA-N 0 3 291.435 4.027 20 10 CICDHN COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000036961251 523852743 /nfs/dbraw/zinc/85/27/43/523852743.db2.gz IOTHRWAMFPOHQW-UONOGXRCSA-N 0 3 285.387 4.121 20 10 CICDHN COc1ccc(C)cc1[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000036961255 523854876 /nfs/dbraw/zinc/85/48/76/523854876.db2.gz IOTHRWAMFPOHQW-ZIAGYGMSSA-N 0 3 285.387 4.121 20 10 CICDHN COc1ccc(C)cc1[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000036961253 523858312 /nfs/dbraw/zinc/85/83/12/523858312.db2.gz IOTHRWAMFPOHQW-KBPBESRZSA-N 0 3 285.387 4.121 20 10 CICDHN C[C@H]([NH2+][C@@H]1CCCc2sccc21)c1ccccc1[O-] ZINC000061359861 525564918 /nfs/dbraw/zinc/56/49/18/525564918.db2.gz SQGRMDYHTWHHAR-SMDDNHRTSA-N 0 3 273.401 4.182 20 10 CICDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])c1ccc(F)c(F)c1 ZINC000036953219 525662951 /nfs/dbraw/zinc/66/29/51/525662951.db2.gz CDSRBWLDLGGWBM-GHMZBOCLSA-N 0 3 277.314 4.082 20 10 CICDHN C[C@@H]([NH2+][C@H](c1ccccc1)C1CC1)c1ccccc1[O-] ZINC000037075386 525669361 /nfs/dbraw/zinc/66/93/61/525669361.db2.gz IJEIHKTWFRKNSO-FZKQIMNGSA-N 0 3 267.372 4.194 20 10 CICDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC(F)(F)C2)c([O-])c1C ZINC000281082431 525922244 /nfs/dbraw/zinc/92/22/44/525922244.db2.gz JKMJJBUXLOUYLD-QWHCGFSZSA-N 0 3 283.362 4.095 20 10 CICDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCCc3sccc32)c([O-])c1 ZINC000061359908 525937556 /nfs/dbraw/zinc/93/75/56/525937556.db2.gz YBRMCQQWTUCBTA-SWLSCSKDSA-N 0 3 287.428 4.490 20 10 CICDHN CC[C@H]([NH2+][C@@H](C)c1ccc(F)cc1F)c1ccccc1[O-] ZINC000036952762 260056508 /nfs/dbraw/zinc/05/65/08/260056508.db2.gz NYOATOPZPHOLSW-ZBEGNZNMSA-N 0 3 291.341 4.472 20 10 CICDHN CC[C@H](NCc1ccc(N(C)C)cc1)c1ccc(F)cc1 ZINC000020146081 171031658 /nfs/dbraw/zinc/03/16/58/171031658.db2.gz OKZNAWKKQXWSTH-SFHVURJKSA-N 0 3 286.394 4.133 20 10 CICDHN CC[C@@H](NCc1ccc(N(C)C)cc1)c1ccc(F)cc1 ZINC000020146080 171032006 /nfs/dbraw/zinc/03/20/06/171032006.db2.gz OKZNAWKKQXWSTH-GOSISDBHSA-N 0 3 286.394 4.133 20 10 CICDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCCc3ccccc32)c1 ZINC000035628837 172307756 /nfs/dbraw/zinc/30/77/56/172307756.db2.gz MMAWQCVVAZZHGW-RDTXWAMCSA-N 0 3 281.399 4.429 20 10 CICDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCCc3occc32)c1 ZINC000035628964 172309063 /nfs/dbraw/zinc/30/90/63/172309063.db2.gz PTRLUOVXMQBQNC-WFASDCNBSA-N 0 3 271.360 4.022 20 10 CICDHN Cc1ccc(O)c([C@H](C)N[C@H]2CCCc3occc32)c1 ZINC000035628964 172309064 /nfs/dbraw/zinc/30/90/64/172309064.db2.gz PTRLUOVXMQBQNC-WFASDCNBSA-N 0 3 271.360 4.022 20 10 CICDHN CC[C@H]([NH2+][C@H](C)c1ccc(F)cc1F)c1ccccc1[O-] ZINC000036952764 260056526 /nfs/dbraw/zinc/05/65/26/260056526.db2.gz NYOATOPZPHOLSW-BZNIZROVSA-N 0 3 291.341 4.472 20 10 CICDHN CCOCCC1(C[NH2+][C@@H](CC)c2ccccc2[O-])CCC1 ZINC000156739177 261130238 /nfs/dbraw/zinc/13/02/38/261130238.db2.gz IQWGULUGRFGMTG-INIZCTEOSA-N 0 3 291.435 4.030 20 10 CICDHN CC[C@@H](NC1(c2ccccc2F)CC1)c1ccccc1O ZINC000157322108 261144162 /nfs/dbraw/zinc/14/41/62/261144162.db2.gz GXNKQVFZMKDIIL-MRXNPFEDSA-N 0 3 285.362 4.261 20 10 CICDHN CCCOc1ccc(C[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000179886342 261821906 /nfs/dbraw/zinc/82/19/06/261821906.db2.gz JUAKGGFBPDFXCR-AWEZNQCLSA-N 0 3 285.387 4.032 20 10 CICDHN C[C@@H](N[C@@H](C)c1ccccc1O)c1cccc(F)c1F ZINC000183634542 261983099 /nfs/dbraw/zinc/98/30/99/261983099.db2.gz HBOLAHKFIKGXNK-WDEREUQCSA-N 0 3 277.314 4.082 20 10 CICDHN CCC(CC)[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2[O-])CCO1 ZINC000183715648 261986425 /nfs/dbraw/zinc/98/64/25/261986425.db2.gz DWFLSOMISJBTRQ-YEWWUXTCSA-N 0 3 291.435 4.027 20 10 CICDHN C[C@@H](N[C@@H](C)c1ccccn1)c1cc2c(cc1O)CCCC2 ZINC000184845854 262030237 /nfs/dbraw/zinc/03/02/37/262030237.db2.gz OOUDDZBEMAAOMH-KGLIPLIRSA-N 0 3 296.414 4.078 20 10 CICDHN C[C@@H]([NH2+]Cc1ccsc1)c1cc2c(cc1[O-])CCCC2 ZINC000185020186 262038274 /nfs/dbraw/zinc/03/82/74/262038274.db2.gz ZWUMAMDBLUTZSR-GFCCVEGCSA-N 0 3 287.428 4.183 20 10 CICDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCc3cc(F)ccc32)c1 ZINC000185216222 262045766 /nfs/dbraw/zinc/04/57/66/262045766.db2.gz BYQCADSBPIHNGE-PXAZEXFGSA-N 0 3 285.362 4.178 20 10 CICDHN Cc1ccc(O)c([C@H](C)NC2(c3ccccc3F)CC2)c1 ZINC000186322440 262089010 /nfs/dbraw/zinc/08/90/10/262089010.db2.gz WMKXJZCQKJSLRR-ZDUSSCGKSA-N 0 3 285.362 4.180 20 10 CICDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCC[C@H]1c1c(C)n[nH]c1C ZINC000367729450 267113741 /nfs/dbraw/zinc/11/37/41/267113741.db2.gz UIEZHNABXKCVOO-CVEARBPZSA-N 0 3 299.418 4.020 20 10 CICDHN CC[C@H](c1ccccc1[O-])[N@H+]1CCC[C@H]1c1c(C)n[nH]c1C ZINC000367729450 267113745 /nfs/dbraw/zinc/11/37/45/267113745.db2.gz UIEZHNABXKCVOO-CVEARBPZSA-N 0 3 299.418 4.020 20 10 CICDHN CC[C@H]([NH2+]Cc1ccccc1[O-])c1cc(C)ccc1C ZINC000527824840 330286556 /nfs/dbraw/zinc/28/65/56/330286556.db2.gz YXXBZTMUOXOUMQ-KRWDZBQOSA-N 0 3 269.388 4.250 20 10 CICDHN CC[C@H]([NH2+][C@@H](c1ccccn1)C1CCC1)c1ccccc1[O-] ZINC000527962703 330300850 /nfs/dbraw/zinc/30/08/50/330300850.db2.gz HOXMQYORIZXXAP-QFBILLFUSA-N 0 3 296.414 4.369 20 10 CICDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@H](c2ccccn2)C2CCC2)c1 ZINC000527966072 330301048 /nfs/dbraw/zinc/30/10/48/330301048.db2.gz NOJBICUTMZBKFT-KUHUBIRLSA-N 0 3 296.414 4.288 20 10 CICDHN Cc1ccc(O)c([C@@H](C)N[C@H](c2ccccn2)C2CCC2)c1 ZINC000527966072 330301049 /nfs/dbraw/zinc/30/10/49/330301049.db2.gz NOJBICUTMZBKFT-KUHUBIRLSA-N 0 3 296.414 4.288 20 10 CICDHN CC[C@H]([NH2+]Cc1cccc(N(C)C)c1)c1ccc(C)cc1[O-] ZINC000280134157 522652891 /nfs/dbraw/zinc/65/28/91/522652891.db2.gz PGODKCUVKPGSDI-SFHVURJKSA-N 0 3 298.430 4.008 20 10 CICDHN CC[C@H]([NH2+][C@@H](CC)c1ccc(C)cc1[O-])c1ccncc1 ZINC000280097375 522704681 /nfs/dbraw/zinc/70/46/81/522704681.db2.gz MVJFUAOCONVKBX-IRXDYDNUSA-N 0 3 284.403 4.288 20 10 CICDHN COc1ccc(C)cc1[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000036961257 523859263 /nfs/dbraw/zinc/85/92/63/523859263.db2.gz IOTHRWAMFPOHQW-KGLIPLIRSA-N 0 3 285.387 4.121 20 10 CICDHN Cc1cc(C)c([C@@H](C)[NH2+]CCCC(C)(F)F)c([O-])c1 ZINC000297399610 524330017 /nfs/dbraw/zinc/33/00/17/524330017.db2.gz SJRVYWVLXFXEEG-GFCCVEGCSA-N 0 3 271.351 4.095 20 10 CICDHN Cc1cc(O)c(CN[C@@H](C)c2ccc(F)cc2F)cc1C ZINC000237564215 525322821 /nfs/dbraw/zinc/32/28/21/525322821.db2.gz XMLMINYAODLANX-LBPRGKRZSA-N 0 3 291.341 4.138 20 10 CICDHN Cc1cc([C@@H](C)[NH2+][C@H](C)c2ccccc2[O-])c(C)s1 ZINC000037123059 525474567 /nfs/dbraw/zinc/47/45/67/525474567.db2.gz SOBRCQNLHITGNZ-VXGBXAGGSA-N 0 3 275.417 4.482 20 10 CICDHN Cc1cc([C@H](C)[NH2+][C@@H](C)c2ccccc2[O-])c(C)s1 ZINC000037123058 525525321 /nfs/dbraw/zinc/52/53/21/525525321.db2.gz SOBRCQNLHITGNZ-RYUDHWBXSA-N 0 3 275.417 4.482 20 10 CICDHN C[C@H]([NH2+][C@@H]1CCSc2ccccc21)c1ccccc1[O-] ZINC000037128138 525580514 /nfs/dbraw/zinc/58/05/14/525580514.db2.gz UHUJRJAAHLIXBL-SWLSCSKDSA-N 0 3 285.412 4.280 20 10 CICDHN c1csc(CNCc2ccc(N3CCCCC3)cc2)c1 ZINC000020139532 526580505 /nfs/dbraw/zinc/58/05/05/526580505.db2.gz DTNCRWZBROMWBL-UHFFFAOYSA-N 0 3 286.444 4.028 20 10 CICDHN C[C@@H]([NH2+][C@@H]1CCc2cccc([O-])c21)c1cccc(Cl)c1 ZINC000296072433 533528487 /nfs/dbraw/zinc/52/84/87/533528487.db2.gz SEECMSIXLYXGMR-IAQYHMDHSA-N 0 3 287.790 4.384 20 10 CICDHN COc1ccccc1[C@H](C)[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000020097064 170996523 /nfs/dbraw/zinc/99/65/23/170996523.db2.gz WHZOUPIEPGUPRN-KGLIPLIRSA-N 0 3 285.387 4.121 20 10 CICDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])c1ccc(Cl)cc1 ZINC000020121923 171002285 /nfs/dbraw/zinc/00/22/85/171002285.db2.gz NAEZAQYWXRKBDS-NEPJUHHUSA-N 0 3 275.779 4.457 20 10 CICDHN C[C@@H](NCc1ccc(N(C)C)cc1)c1cccc(Cl)c1 ZINC000020124148 171006339 /nfs/dbraw/zinc/00/63/39/171006339.db2.gz FWYSDXVRQMLYAX-CYBMUJFWSA-N 0 3 288.822 4.257 20 10 CICDHN Cc1ccccc1[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000020126171 171009699 /nfs/dbraw/zinc/00/96/99/171009699.db2.gz IHGHBKINRDQWIQ-UONOGXRCSA-N 0 3 255.361 4.112 20 10 CICDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCc3ccccc32)c([O-])c1 ZINC000020130130 171018947 /nfs/dbraw/zinc/01/89/47/171018947.db2.gz IWGGBDIKLMWJEF-SUMWQHHRSA-N 0 3 267.372 4.039 20 10 CICDHN C[C@H](CCc1ccccc1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000020138362 171026143 /nfs/dbraw/zinc/02/61/43/171026143.db2.gz MQLVVFOPOIDWSV-CABCVRRESA-N 0 3 269.388 4.064 20 10 CICDHN CC[C@H]([NH2+][C@@H]1CCCc2occc21)c1ccccc1[O-] ZINC000020204638 171069242 /nfs/dbraw/zinc/06/92/42/171069242.db2.gz WMBRLJDXGTVIDS-LSDHHAIUSA-N 0 3 271.360 4.104 20 10 CICDHN CC[C@H]([NH2+]Cc1ccc(Cl)cc1)c1ccccc1[O-] ZINC000020209819 171073101 /nfs/dbraw/zinc/07/31/01/171073101.db2.gz JCQYDABBKKKWJG-HNNXBMFYSA-N 0 3 275.779 4.287 20 10 CICDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCCOC2CCCCC2)c1 ZINC000035628928 172307842 /nfs/dbraw/zinc/30/78/42/172307842.db2.gz GFMMQQSGWMYKFH-HNNXBMFYSA-N 0 3 291.435 4.091 20 10 CICDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCCc3ccccc32)c1 ZINC000035628840 172307907 /nfs/dbraw/zinc/30/79/07/172307907.db2.gz MMAWQCVVAZZHGW-KSSFIOAISA-N 0 3 281.399 4.429 20 10 CICDHN Cc1ccc([C@@H](C)N[C@H](C)c2ccc(F)cc2F)c(O)c1 ZINC000036952679 260056462 /nfs/dbraw/zinc/05/64/62/260056462.db2.gz SLHDVZDBESMQJU-VXGBXAGGSA-N 0 3 291.341 4.391 20 10 CICDHN C[C@@H](N[C@@H](C)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000037185762 260072831 /nfs/dbraw/zinc/07/28/31/260072831.db2.gz BVGRDHRWLBRNTG-LSDHHAIUSA-N 0 3 268.404 4.164 20 10 CICDHN CC[C@@H]([NH2+]C1(c2cccc(F)c2)CC1)c1ccccc1[O-] ZINC000157320307 261144149 /nfs/dbraw/zinc/14/41/49/261144149.db2.gz UGLJLDVXUBMYBY-MRXNPFEDSA-N 0 3 285.362 4.261 20 10 CICDHN CC[C@@H]([NH2+]C[C@@H](C)c1nc(C)cs1)c1ccccc1[O-] ZINC000158092241 261158422 /nfs/dbraw/zinc/15/84/22/261158422.db2.gz HWFBMWLBUHCFQT-BXUZGUMPSA-N 0 3 290.432 4.002 20 10 CICDHN CC[C@@H](N[C@H](CC)c1ccc(N(C)C)cc1)c1ccncc1 ZINC000163713395 261326071 /nfs/dbraw/zinc/32/60/71/261326071.db2.gz YKTHBQXGAMNPJV-RTBURBONSA-N 0 3 297.446 4.340 20 10 CICDHN CC(C)Oc1ccccc1C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000179874937 261821166 /nfs/dbraw/zinc/82/11/66/261821166.db2.gz IFQWTWSJATYHGD-AWEZNQCLSA-N 0 3 285.387 4.030 20 10 CICDHN C[C@@H]([NH2+][C@@H](C)c1cccnc1)c1cc2c(cc1[O-])CCCC2 ZINC000184883126 262032488 /nfs/dbraw/zinc/03/24/88/262032488.db2.gz ZXZVNCFGBVJJTL-UONOGXRCSA-N 0 3 296.414 4.078 20 10 CICDHN C[C@@H](N[C@@H](C)c1cccnc1)c1cc2c(cc1O)CCCC2 ZINC000184883126 262032490 /nfs/dbraw/zinc/03/24/90/262032490.db2.gz ZXZVNCFGBVJJTL-UONOGXRCSA-N 0 3 296.414 4.078 20 10 CICDHN C[C@H]([NH2+][C@H]1CCc2cc(F)ccc21)c1cc(F)ccc1[O-] ZINC000185216776 262045745 /nfs/dbraw/zinc/04/57/45/262045745.db2.gz RDRAMCUCCKABEI-QFYYESIMSA-N 0 3 289.325 4.009 20 10 CICDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCc3cc(F)ccc32)c([O-])c1 ZINC000185216569 262046313 /nfs/dbraw/zinc/04/63/13/262046313.db2.gz PDHFDKSXFYRESS-YVEFUNNKSA-N 0 3 285.362 4.178 20 10 CICDHN CCCC[N@H+](Cc1ccccc1[O-])[C@H](C)c1cccnc1 ZINC000282477705 263077056 /nfs/dbraw/zinc/07/70/56/263077056.db2.gz OKBBBPUSAHLGOC-OAHLLOKOSA-N 0 3 284.403 4.151 20 10 CICDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@H](C)c1cccnc1 ZINC000282477705 263077057 /nfs/dbraw/zinc/07/70/57/263077057.db2.gz OKBBBPUSAHLGOC-OAHLLOKOSA-N 0 3 284.403 4.151 20 10 CICDHN Cc1cc([C@@H](C)[NH2+][C@H]2CCc3cccc([O-])c32)ccc1F ZINC000296699051 263195613 /nfs/dbraw/zinc/19/56/13/263195613.db2.gz HPBVFSGFCDTAAY-WBMJQRKESA-N 0 3 285.362 4.178 20 10 CICDHN C[C@H]([NH2+]Cc1ccc(C(F)F)cc1)c1cc(F)ccc1[O-] ZINC000185354361 327838479 /nfs/dbraw/zinc/83/84/79/327838479.db2.gz VAVHYKKTYXRLNC-JTQLQIEISA-N 0 3 295.304 4.320 20 10 CICDHN CC[C@H]([NH2+][C@@H]1CCOc2c(C)cccc21)c1ccccc1[O-] ZINC000189366625 329380035 /nfs/dbraw/zinc/38/00/35/329380035.db2.gz ALRVKMIHNKRKRM-DLBZAZTESA-N 0 3 297.398 4.265 20 10 CICDHN COc1ccc([O-])c(C[NH2+][C@H](c2cccc(C)c2)C(C)C)c1 ZINC000527867546 330285723 /nfs/dbraw/zinc/28/57/23/330285723.db2.gz JMGLMQZKNIHFAH-IBGZPJMESA-N 0 3 299.414 4.196 20 10 CICDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H](c2ccccn2)C2CCC2)c1 ZINC000527966076 330301126 /nfs/dbraw/zinc/30/11/26/330301126.db2.gz NOJBICUTMZBKFT-LIRRHRJNSA-N 0 3 296.414 4.288 20 10 CICDHN Cc1ccc(O)c([C@H](C)N[C@H](c2ccccn2)C2CCC2)c1 ZINC000527966076 330301127 /nfs/dbraw/zinc/30/11/27/330301127.db2.gz NOJBICUTMZBKFT-LIRRHRJNSA-N 0 3 296.414 4.288 20 10 CICDHN Cc1sccc1CNCc1c(C)c2ccccc2n1C ZINC000555583692 334482885 /nfs/dbraw/zinc/48/28/85/334482885.db2.gz UKUSVMGVQQBYFR-UHFFFAOYSA-N 0 3 284.428 4.146 20 10 CICDHN COc1ccc(C)cc1[C@H](C)[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000273302332 334763967 /nfs/dbraw/zinc/76/39/67/334763967.db2.gz BRRBWXBCXOUPRQ-GJZGRUSLSA-N 0 3 299.414 4.429 20 10 CICDHN CCC[C@H]([NH2+]Cc1cccc(OC)c1[O-])c1ccccc1 ZINC000037062499 521163090 /nfs/dbraw/zinc/16/30/90/521163090.db2.gz IMHJZTBOQOCHRN-INIZCTEOSA-N 0 3 285.387 4.032 20 10 CICDHN CC[C@H]([NH2+]C[C@H](C)c1nccs1)c1ccc(C)cc1[O-] ZINC000279977656 522625911 /nfs/dbraw/zinc/62/59/11/522625911.db2.gz DJBPRQSENTZEDU-JSGCOSHPSA-N 0 3 290.432 4.002 20 10 CICDHN CC[C@H]([NH2+]Cc1ccc(C)s1)c1ccccc1[O-] ZINC000050225133 522645665 /nfs/dbraw/zinc/64/56/65/522645665.db2.gz BUUUMZIFYSGLCU-AWEZNQCLSA-N 0 3 261.390 4.003 20 10 CICDHN CC[C@H]([NH2+]Cc1cccc(F)c1)c1ccc(C)cc1[O-] ZINC000279985255 522652440 /nfs/dbraw/zinc/65/24/40/522652440.db2.gz DXZRLTGWGVYEMC-INIZCTEOSA-N 0 3 273.351 4.081 20 10 CICDHN CC[C@H]([NH2+]Cc1sc(C)nc1C)c1ccc(C)cc1[O-] ZINC000279935403 522673961 /nfs/dbraw/zinc/67/39/61/522673961.db2.gz AYGNLNNZXUUMCI-AWEZNQCLSA-N 0 3 290.432 4.015 20 10 CICDHN CC[C@H]([NH2+][C@H](C)c1ccc(F)c(F)c1)c1ccccc1[O-] ZINC000036953106 522739121 /nfs/dbraw/zinc/73/91/21/522739121.db2.gz YWFPEYXAIBYPRT-BZNIZROVSA-N 0 3 291.341 4.472 20 10 CICDHN CC[C@@H]([NH2+][C@@H]1CCCc2occc21)c1ccc(C)cc1[O-] ZINC000280016707 522924085 /nfs/dbraw/zinc/92/40/85/522924085.db2.gz HCDBGONEWTYGBB-HZPDHXFCSA-N 0 3 285.387 4.412 20 10 CICDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCCc3ccccc32)c1 ZINC000120513296 524766257 /nfs/dbraw/zinc/76/62/57/524766257.db2.gz HATUPEMSPJXCRZ-ACJLOTCBSA-N 0 3 297.398 4.129 20 10 CICDHN Cc1ccc([O-])c(C[NH2+][C@H]2CCSc3ccccc32)c1 ZINC000071407825 525354259 /nfs/dbraw/zinc/35/42/59/525354259.db2.gz CBLUTFDOEVKYHE-HNNXBMFYSA-N 0 3 285.412 4.027 20 10 CICDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCCc3sccc32)c1 ZINC000061360004 525365552 /nfs/dbraw/zinc/36/55/52/525365552.db2.gz DJOXINOMIUJALQ-WFASDCNBSA-N 0 3 287.428 4.490 20 10 CICDHN Cc1cc([C@@H](C)[NH2+]Cc2cc(C)ccc2[O-])c(C)s1 ZINC000071407795 525466723 /nfs/dbraw/zinc/46/67/23/525466723.db2.gz MBVPURRLOGHVFE-GFCCVEGCSA-N 0 3 275.417 4.230 20 10 CICDHN C[C@H](N[C@@H](C)c1ccc(F)cc1F)c1ccccc1O ZINC000036952866 525531282 /nfs/dbraw/zinc/53/12/82/525531282.db2.gz ORVFBDNRJDALFO-QWRGUYRKSA-N 0 3 277.314 4.082 20 10 CICDHN C[C@@H](N[C@@H](C)c1ccc(F)cc1F)c1ccccc1O ZINC000036952867 525608349 /nfs/dbraw/zinc/60/83/49/525608349.db2.gz ORVFBDNRJDALFO-WDEREUQCSA-N 0 3 277.314 4.082 20 10 CICDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])c1ccc(F)c(F)c1 ZINC000036953217 525613551 /nfs/dbraw/zinc/61/35/51/525613551.db2.gz CDSRBWLDLGGWBM-MNOVXSKESA-N 0 3 277.314 4.082 20 10 CICDHN C[C@@H]([NH2+][C@@H]1CCCc2sccc21)c1cc(F)ccc1[O-] ZINC000094618124 525640488 /nfs/dbraw/zinc/64/04/88/525640488.db2.gz VAQORAAUOVHBDD-QMTHXVAHSA-N 0 3 291.391 4.321 20 10 CICDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC(F)(F)C2)c([O-])c1C ZINC000281082432 525926337 /nfs/dbraw/zinc/92/63/37/525926337.db2.gz JKMJJBUXLOUYLD-STQMWFEESA-N 0 3 283.362 4.095 20 10 CICDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCCc3occc32)c([O-])c1 ZINC000020205080 171070791 /nfs/dbraw/zinc/07/07/91/171070791.db2.gz OOIJQEDHEQRZNO-DOMZBBRYSA-N 0 3 271.360 4.022 20 10 CICDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCc3occc32)c([O-])c1 ZINC000020205075 171070824 /nfs/dbraw/zinc/07/08/24/171070824.db2.gz OOIJQEDHEQRZNO-IUODEOHRSA-N 0 3 271.360 4.022 20 10 CICDHN CC[C@@H](NCc1ccc(N(C)C)cc1)c1ccc(C)cc1 ZINC000021009236 171285790 /nfs/dbraw/zinc/28/57/90/171285790.db2.gz TWMKLPOOPPJUND-LJQANCHMSA-N 0 3 282.431 4.302 20 10 CICDHN CC[C@H](NCc1ccc(N(C)C)cc1)c1ccc(C)cc1 ZINC000021009237 171286101 /nfs/dbraw/zinc/28/61/01/171286101.db2.gz TWMKLPOOPPJUND-IBGZPJMESA-N 0 3 282.431 4.302 20 10 CICDHN COc1cccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)cc2[O-])c1 ZINC000037771620 260116348 /nfs/dbraw/zinc/11/63/48/260116348.db2.gz PVQVGIGFLOSUSQ-KGLIPLIRSA-N 0 3 285.387 4.121 20 10 CICDHN CCOCc1ccc(C[NH2+][C@@H](CC)c2ccccc2[O-])cc1 ZINC000155086743 261097521 /nfs/dbraw/zinc/09/75/21/261097521.db2.gz HWJWSOGDXGXRMK-SFHVURJKSA-N 0 3 299.414 4.170 20 10 CICDHN CC[C@H]([NH2+][C@@H]1CCCOc2ccccc21)c1ccccc1[O-] ZINC000155514549 261102932 /nfs/dbraw/zinc/10/29/32/261102932.db2.gz ZPSLQOPKRTYIFB-DLBZAZTESA-N 0 3 297.398 4.347 20 10 CICDHN CC[C@@H]([NH2+][C@@H](C)c1cccc(F)c1F)c1ccccc1[O-] ZINC000156995863 261137167 /nfs/dbraw/zinc/13/71/67/261137167.db2.gz MYJHDWYMKVZESH-XHDPSFHLSA-N 0 3 291.341 4.472 20 10 CICDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCc3cc(F)ccc32)c([O-])c1 ZINC000185216547 262045850 /nfs/dbraw/zinc/04/58/50/262045850.db2.gz PDHFDKSXFYRESS-SJKOYZFVSA-N 0 3 285.362 4.178 20 10 CICDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCCOc3ccccc32)c([O-])c1 ZINC000185270975 262048052 /nfs/dbraw/zinc/04/80/52/262048052.db2.gz RWSDAMCGSXFNRF-PBHICJAKSA-N 0 3 297.398 4.265 20 10 CICDHN Cc1ccc([C@H](C)[NH2+][C@H](c2ncccc2C)C(C)C)c([O-])c1 ZINC000185458157 262054820 /nfs/dbraw/zinc/05/48/20/262054820.db2.gz RHKMCSJRWXIMCH-YJBOKZPZSA-N 0 3 298.430 4.452 20 10 CICDHN Cc1ccc([C@@H](C)N[C@H](C)c2cccc(F)c2F)c(O)c1 ZINC000186208197 262084337 /nfs/dbraw/zinc/08/43/37/262084337.db2.gz ICMDZIDZDYHCDP-VXGBXAGGSA-N 0 3 291.341 4.391 20 10 CICDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C(F)F)cc2)c([O-])c1 ZINC000185352731 327838477 /nfs/dbraw/zinc/83/84/77/327838477.db2.gz KOWLFHNESYTOLX-GFCCVEGCSA-N 0 3 291.341 4.489 20 10 CICDHN CC[C@H]([NH2+][C@@H](C)c1ccc(OC)cc1)c1ccccc1[O-] ZINC000090339841 327094370 /nfs/dbraw/zinc/09/43/70/327094370.db2.gz PJAXJRLOSRUEFS-GUYCJALGSA-N 0 3 285.387 4.203 20 10 CICDHN CC[C@@H]([NH2+][C@H](C)c1ccc(OC)cc1)c1ccccc1[O-] ZINC000090339844 327094375 /nfs/dbraw/zinc/09/43/75/327094375.db2.gz PJAXJRLOSRUEFS-CXAGYDPISA-N 0 3 285.387 4.203 20 10 CICDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000377689256 329024856 /nfs/dbraw/zinc/02/48/56/329024856.db2.gz DGVTWGCRJOGTQD-IAGOWNOFSA-N 0 3 282.387 4.075 20 10 CICDHN CC[C@H](c1ccccc1[O-])[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000377689256 329024857 /nfs/dbraw/zinc/02/48/57/329024857.db2.gz DGVTWGCRJOGTQD-IAGOWNOFSA-N 0 3 282.387 4.075 20 10 CICDHN COc1ccc([O-])c(C[NH2+][C@@H](c2cccc(C)c2)C(C)C)c1 ZINC000527867547 330285734 /nfs/dbraw/zinc/28/57/34/330285734.db2.gz JMGLMQZKNIHFAH-LJQANCHMSA-N 0 3 299.414 4.196 20 10 CICDHN CC[C@@H]([NH2+]Cc1cc(OC)ccc1[O-])c1cc(C)ccc1C ZINC000527869899 330286145 /nfs/dbraw/zinc/28/61/45/330286145.db2.gz OWWUOAVLNAZJKT-GOSISDBHSA-N 0 3 299.414 4.259 20 10 CICDHN [O-]c1cccc2c1[C@H]([NH2+][C@H]1CCc3cc(Cl)ccc31)CC2 ZINC000527993435 330299325 /nfs/dbraw/zinc/29/93/25/330299325.db2.gz ULKHJXFUJQPTHB-JKSUJKDBSA-N 0 3 299.801 4.310 20 10 CICDHN [O-]c1cccc2c1[C@@H]([NH2+][C@@H]1CCc3cc(Cl)ccc31)CC2 ZINC000527995163 330299483 /nfs/dbraw/zinc/29/94/83/330299483.db2.gz ULKHJXFUJQPTHB-CVEARBPZSA-N 0 3 299.801 4.310 20 10 CICDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H](c2ccccn2)C2CCC2)c1 ZINC000527966060 330301092 /nfs/dbraw/zinc/30/10/92/330301092.db2.gz NOJBICUTMZBKFT-AUUYWEPGSA-N 0 3 296.414 4.288 20 10 CICDHN Cc1ccc(O)c([C@@H](C)N[C@@H](c2ccccn2)C2CCC2)c1 ZINC000527966060 330301093 /nfs/dbraw/zinc/30/10/93/330301093.db2.gz NOJBICUTMZBKFT-AUUYWEPGSA-N 0 3 296.414 4.288 20 10 CICDHN Cc1cc([C@@H](C)[NH2+]Cc2cc(F)ccc2[O-])c(C)s1 ZINC000226583844 333265538 /nfs/dbraw/zinc/26/55/38/333265538.db2.gz NYPMKKVUSPKKOQ-SNVBAGLBSA-N 0 3 279.380 4.060 20 10 CICDHN CC(C)Oc1cccc([C@@H](C)[NH2+]Cc2ccccc2[O-])c1 ZINC000036997360 519783449 /nfs/dbraw/zinc/78/34/49/519783449.db2.gz SIKPVPAPMRXPGW-CQSZACIVSA-N 0 3 285.387 4.030 20 10 CICDHN CCC[C@@H]([NH2+]Cc1cccc(OC)c1[O-])c1ccccc1 ZINC000037062500 520783441 /nfs/dbraw/zinc/78/34/41/520783441.db2.gz IMHJZTBOQOCHRN-MRXNPFEDSA-N 0 3 285.387 4.032 20 10 CICDHN CCSc1cccc(C[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000293777805 521760173 /nfs/dbraw/zinc/76/01/73/521760173.db2.gz SZUQBJQCOARACS-ZDUSSCGKSA-N 0 3 287.428 4.355 20 10 CICDHN CCSc1cccc(C[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000293777796 521761017 /nfs/dbraw/zinc/76/10/17/521761017.db2.gz SZUQBJQCOARACS-CYBMUJFWSA-N 0 3 287.428 4.355 20 10 CICDHN CC[C@H]([NH2+]Cc1ccc(F)cc1)c1ccc(C)cc1[O-] ZINC000280108487 522644990 /nfs/dbraw/zinc/64/49/90/522644990.db2.gz NMIXPPHLXASVGF-INIZCTEOSA-N 0 3 273.351 4.081 20 10 CICDHN CC[C@H]([NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1)c1ccccc1[O-] ZINC000274805854 522720921 /nfs/dbraw/zinc/72/09/21/522720921.db2.gz WPEJAVVHUKUMTO-KMFMINBZSA-N 0 3 291.435 4.027 20 10 CICDHN CC[C@H]([NH2+][C@H](COC)c1ccccc1)c1ccc(C)cc1[O-] ZINC000279970059 522748793 /nfs/dbraw/zinc/74/87/93/522748793.db2.gz CWWPWHYXYONZOS-ZWKOTPCHSA-N 0 3 299.414 4.129 20 10 CICDHN CC[C@H]([NH2+][C@H]1CCCc2occc21)c1ccc(C)cc1[O-] ZINC000280016703 522754664 /nfs/dbraw/zinc/75/46/64/522754664.db2.gz HCDBGONEWTYGBB-HOTGVXAUSA-N 0 3 285.387 4.412 20 10 CICDHN CC[C@H]([NH2+][C@H]1CCc2c1cccc2O)c1ccc(C)cc1[O-] ZINC000280153952 522759128 /nfs/dbraw/zinc/75/91/28/522759128.db2.gz QHGSVXHHQDAXGF-IRXDYDNUSA-N 0 3 297.398 4.134 20 10 CICDHN CC[C@@H]([NH2+]C[C@H](C)c1nccs1)c1ccc(C)cc1[O-] ZINC000279977654 522862568 /nfs/dbraw/zinc/86/25/68/522862568.db2.gz DJBPRQSENTZEDU-GXTWGEPZSA-N 0 3 290.432 4.002 20 10 CICDHN CC[C@@H]([NH2+][C@H](CC)c1ccc(C)cc1[O-])c1ccncc1 ZINC000280097370 522942762 /nfs/dbraw/zinc/94/27/62/522942762.db2.gz MVJFUAOCONVKBX-IAGOWNOFSA-N 0 3 284.403 4.288 20 10 CICDHN Cc1cc([C@H](C)[NH2+]Cc2cc(C)ccc2[O-])c(C)s1 ZINC000071407793 525521442 /nfs/dbraw/zinc/52/14/42/525521442.db2.gz MBVPURRLOGHVFE-LBPRGKRZSA-N 0 3 275.417 4.230 20 10 CICDHN C[C@@H]([NH2+]Cc1ccccc1C(F)(F)F)c1ccccc1[O-] ZINC000061626119 525537187 /nfs/dbraw/zinc/53/71/87/525537187.db2.gz ZPCJODUMOIQQPA-LLVKDONJSA-N 0 3 295.304 4.262 20 10 CICDHN C[C@H]([NH2+][C@@H](c1ccccc1)C1CC1)c1ccccc1[O-] ZINC000037075383 525545568 /nfs/dbraw/zinc/54/55/68/525545568.db2.gz IJEIHKTWFRKNSO-UGSOOPFHSA-N 0 3 267.372 4.194 20 10 CICDHN C[C@H]([NH2+][C@@H](c1ccccc1)C1CC1)c1cc(F)ccc1[O-] ZINC000094617411 525547040 /nfs/dbraw/zinc/54/70/40/525547040.db2.gz MCKPTFUHOHEYJH-SGTLLEGYSA-N 0 3 285.362 4.333 20 10 CICDHN C[C@@H]([NH2+][C@@H](c1ccccc1)C1CC1)c1cc(F)ccc1[O-] ZINC000094617412 525629201 /nfs/dbraw/zinc/62/92/01/525629201.db2.gz MCKPTFUHOHEYJH-XIKOKIGWSA-N 0 3 285.362 4.333 20 10 CICDHN C[C@@H](N[C@H]1CCCc2occc21)c1ccc(N(C)C)cc1 ZINC000037241860 525681886 /nfs/dbraw/zinc/68/18/86/525681886.db2.gz GXGJYAQPLVYKHO-DYVFJYSZSA-N 0 3 284.403 4.074 20 10 CICDHN Cc1ccoc1CN[C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000293238567 525804738 /nfs/dbraw/zinc/80/47/38/525804738.db2.gz BELROOOJVNNEDJ-ZDUSSCGKSA-N 0 3 285.387 4.023 20 10 CICDHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])c1ccc(Cl)cc1 ZINC000020121924 171001802 /nfs/dbraw/zinc/00/18/02/171001802.db2.gz NAEZAQYWXRKBDS-RYUDHWBXSA-N 0 3 275.779 4.457 20 10 CICDHN C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1)c1ccccc1[O-] ZINC000020121926 171002067 /nfs/dbraw/zinc/00/20/67/171002067.db2.gz NAEZAQYWXRKBDS-NWDGAFQWSA-N 0 3 275.779 4.457 20 10 CICDHN C[C@H]([NH2+][C@@H](C)c1ccccc1Cl)c1ccccc1[O-] ZINC000020124033 171005807 /nfs/dbraw/zinc/00/58/07/171005807.db2.gz MWUDCCSXPCIQOW-RYUDHWBXSA-N 0 3 275.779 4.457 20 10 CICDHN C[C@@H]([NH2+][C@@H](C)c1cccc(Cl)c1)c1ccccc1[O-] ZINC000020124221 171006089 /nfs/dbraw/zinc/00/60/89/171006089.db2.gz AHYRRIUVGZSXTN-NWDGAFQWSA-N 0 3 275.779 4.457 20 10 CICDHN Cc1ccc([C@H](C)[NH2+]CCCOC2CCCCC2)c([O-])c1 ZINC000020191606 171057474 /nfs/dbraw/zinc/05/74/74/171057474.db2.gz QTEVKEBPWIYVCR-HNNXBMFYSA-N 0 3 291.435 4.091 20 10 CICDHN CC[C@@H]([NH2+]Cc1ccc(Cl)cc1)c1ccccc1[O-] ZINC000020209816 171072877 /nfs/dbraw/zinc/07/28/77/171072877.db2.gz JCQYDABBKKKWJG-OAHLLOKOSA-N 0 3 275.779 4.287 20 10 CICDHN CC[C@H](N[C@@H](C)c1c(F)cccc1F)c1ccccc1O ZINC000037771693 260116264 /nfs/dbraw/zinc/11/62/64/260116264.db2.gz AWDLZBXXJRBAQK-NHYWBVRUSA-N 0 3 291.341 4.472 20 10 CICDHN COc1cccc([C@H](C)[NH2+][C@H](C)c2cc(C)ccc2[O-])c1 ZINC000037771603 260116302 /nfs/dbraw/zinc/11/63/02/260116302.db2.gz TZYWIHFFAYUVCZ-UONOGXRCSA-N 0 3 285.387 4.121 20 10 CICDHN CC[C@H]([NH2+]Cc1ccc(F)c(C)c1)c1ccccc1[O-] ZINC000154974286 261096592 /nfs/dbraw/zinc/09/65/92/261096592.db2.gz ZTYMFCGIXZVNQJ-INIZCTEOSA-N 0 3 273.351 4.081 20 10 CICDHN CC[C@H]([NH2+]C1(c2cccc(F)c2)CC1)c1ccccc1[O-] ZINC000157320161 261144497 /nfs/dbraw/zinc/14/44/97/261144497.db2.gz UGLJLDVXUBMYBY-INIZCTEOSA-N 0 3 285.362 4.261 20 10 CICDHN Cc1cccc([C@H](C)[NH2+][C@H](C)c2ccccc2[O-])c1C ZINC000183515201 261978185 /nfs/dbraw/zinc/97/81/85/261978185.db2.gz ZLJUPHQMMJFDTB-LSDHHAIUSA-N 0 3 269.388 4.421 20 10 CICDHN C[C@H]([NH2+][C@@H](C)c1cc2c(cc1[O-])CCCC2)c1cccnc1 ZINC000184883088 262032204 /nfs/dbraw/zinc/03/22/04/262032204.db2.gz ZXZVNCFGBVJJTL-KBPBESRZSA-N 0 3 296.414 4.078 20 10 CICDHN C[C@H](N[C@@H](C)c1cc2c(cc1O)CCCC2)c1cccnc1 ZINC000184883088 262032206 /nfs/dbraw/zinc/03/22/06/262032206.db2.gz ZXZVNCFGBVJJTL-KBPBESRZSA-N 0 3 296.414 4.078 20 10 CICDHN COc1ccc([O-])c([C@H](C)[NH2+]C2(c3ccccc3)CCC2)c1 ZINC000186292665 262088215 /nfs/dbraw/zinc/08/82/15/262088215.db2.gz UCAMVFKPWQICNS-AWEZNQCLSA-N 0 3 297.398 4.131 20 10 CICDHN CCCC[N@H+](Cc1ccccc1[O-])[C@@H](C)c1cccnc1 ZINC000282477704 263076901 /nfs/dbraw/zinc/07/69/01/263076901.db2.gz OKBBBPUSAHLGOC-HNNXBMFYSA-N 0 3 284.403 4.151 20 10 CICDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)c1cccnc1 ZINC000282477704 263076902 /nfs/dbraw/zinc/07/69/02/263076902.db2.gz OKBBBPUSAHLGOC-HNNXBMFYSA-N 0 3 284.403 4.151 20 10 CICDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000377654345 329023101 /nfs/dbraw/zinc/02/31/01/329023101.db2.gz TYSKDNSNWDKBSS-MSOLQXFVSA-N 0 3 296.414 4.384 20 10 CICDHN CC[C@H](c1ccccc1[O-])[N@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000377654345 329023102 /nfs/dbraw/zinc/02/31/02/329023102.db2.gz TYSKDNSNWDKBSS-MSOLQXFVSA-N 0 3 296.414 4.384 20 10 CICDHN CC[C@@H](c1ccccc1[O-])[N@H+](C)[C@H]1CCCc2cccnc21 ZINC000377708780 329026224 /nfs/dbraw/zinc/02/62/24/329026224.db2.gz XYUIJAWYBODPKA-IRXDYDNUSA-N 0 3 296.414 4.248 20 10 CICDHN CC[C@@H](c1ccccc1[O-])[N@@H+](C)[C@H]1CCCc2cccnc21 ZINC000377708780 329026226 /nfs/dbraw/zinc/02/62/26/329026226.db2.gz XYUIJAWYBODPKA-IRXDYDNUSA-N 0 3 296.414 4.248 20 10 CICDHN Cc1cc(C)c2c(c1)[C@H]([NH2+][C@H](C)c1ccccc1[O-])CCO2 ZINC000378634308 329057086 /nfs/dbraw/zinc/05/70/86/329057086.db2.gz CBIGEDJJOWREQI-RHSMWYFYSA-N 0 3 297.398 4.183 20 10 CICDHN Cc1ccc([O-])c(C[NH2+][C@H]2CCc3cc(Cl)ccc32)c1 ZINC000527795551 330283972 /nfs/dbraw/zinc/28/39/72/330283972.db2.gz PMYIGGMAHZFUBA-INIZCTEOSA-N 0 3 287.790 4.131 20 10 CICDHN Cc1cccc([C@H]([NH2+]Cc2ccccc2[O-])C(C)C)c1 ZINC000527813539 330284922 /nfs/dbraw/zinc/28/49/22/330284922.db2.gz MIAGQVSUZIWYPC-GOSISDBHSA-N 0 3 269.388 4.188 20 10 CICDHN Cc1ccc([C@H](C)[NH2+][C@@H](c2ccccn2)C2CCC2)c([O-])c1 ZINC000527968548 330301374 /nfs/dbraw/zinc/30/13/74/330301374.db2.gz RXZWEFKOYCJFHQ-IFXJQAMLSA-N 0 3 296.414 4.288 20 10 CICDHN Cc1ccc([C@@H](C)[NH2+][C@H](c2ccccn2)C2CCC2)c([O-])c1 ZINC000527968551 330301441 /nfs/dbraw/zinc/30/14/41/330301441.db2.gz RXZWEFKOYCJFHQ-KUHUBIRLSA-N 0 3 296.414 4.288 20 10 CICDHN CCOc1cccc(C[NH2+][C@@H](c2ccccc2)C2CC2)c1[O-] ZINC000236931945 333376628 /nfs/dbraw/zinc/37/66/28/333376628.db2.gz VRWGUQSGCNRWOV-SFHVURJKSA-N 0 3 297.398 4.032 20 10 CICDHN Cc1cc(CNCc2c(C)c3ccccc3n2C)cs1 ZINC000381283991 336057933 /nfs/dbraw/zinc/05/79/33/336057933.db2.gz LXJWFAINXVJXLM-UHFFFAOYSA-N 0 3 284.428 4.146 20 10 CICDHN CC[C@H]([NH2+]C1(c2ccccc2)CC1)c1ccccc1[O-] ZINC000274763109 522560367 /nfs/dbraw/zinc/56/03/67/522560367.db2.gz KQYIETPSSCBTAW-INIZCTEOSA-N 0 3 267.372 4.122 20 10 CICDHN CC[C@H]([NH2+][C@@H]1CCc2c1cccc2O)c1ccc(C)cc1[O-] ZINC000280153946 522725072 /nfs/dbraw/zinc/72/50/72/522725072.db2.gz QHGSVXHHQDAXGF-DLBZAZTESA-N 0 3 297.398 4.134 20 10 CICDHN CC[C@H]([NH2+][C@H]1CCO[C@H](CC(C)C)C1)c1ccccc1[O-] ZINC000274725224 522758371 /nfs/dbraw/zinc/75/83/71/522758371.db2.gz ANCQBOFDZARPQW-UXLLHSPISA-N 0 3 291.435 4.027 20 10 CICDHN CC[C@@H]([NH2+]Cc1ccc(C)s1)c1ccccc1[O-] ZINC000050225134 522874952 /nfs/dbraw/zinc/87/49/52/522874952.db2.gz BUUUMZIFYSGLCU-CQSZACIVSA-N 0 3 261.390 4.003 20 10 CICDHN CC[C@@H]([NH2+]Cc1ccccc1COC)c1ccc(C)cc1[O-] ZINC000280115452 522885404 /nfs/dbraw/zinc/88/54/04/522885404.db2.gz NYEMWZARIOGAJA-GOSISDBHSA-N 0 3 299.414 4.088 20 10 CICDHN CC[C@@H]([NH2+][C@@H]1CCc2c1cccc2O)c1ccc(C)cc1[O-] ZINC000280153949 522926978 /nfs/dbraw/zinc/92/69/78/522926978.db2.gz QHGSVXHHQDAXGF-IAGOWNOFSA-N 0 3 297.398 4.134 20 10 CICDHN COCc1ccccc1C[NH2+][C@@H](C)c1c(C)cc(C)cc1[O-] ZINC000293222733 523106682 /nfs/dbraw/zinc/10/66/82/523106682.db2.gz AKSFAFVSJVCSOE-HNNXBMFYSA-N 0 3 299.414 4.006 20 10 CICDHN Cc1ccc([O-])c(C[NH2+]Cc2cccc(C(F)(F)F)c2)c1 ZINC000071403815 525351923 /nfs/dbraw/zinc/35/19/23/525351923.db2.gz SJQJVTJZCRXVBW-UHFFFAOYSA-N 0 3 295.304 4.009 20 10 CICDHN C[C@H]([NH2+][C@H](c1ccccc1)C1CC1)c1ccccc1[O-] ZINC000037075385 525598375 /nfs/dbraw/zinc/59/83/75/525598375.db2.gz IJEIHKTWFRKNSO-SCLBCKFNSA-N 0 3 267.372 4.194 20 10 CICDHN C[C@H]([NH2+][C@H]1CCSc2ccccc21)c1ccccc1[O-] ZINC000037128140 525629171 /nfs/dbraw/zinc/62/91/71/525629171.db2.gz UHUJRJAAHLIXBL-WFASDCNBSA-N 0 3 285.412 4.280 20 10 CICDHN C[C@@H](N[C@H](C)c1ccc(F)cc1F)c1ccccc1O ZINC000036952869 525659767 /nfs/dbraw/zinc/65/97/67/525659767.db2.gz ORVFBDNRJDALFO-GHMZBOCLSA-N 0 3 277.314 4.082 20 10 CICDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1Cl)c1ccccc1[O-] ZINC000020124032 171005572 /nfs/dbraw/zinc/00/55/72/171005572.db2.gz MWUDCCSXPCIQOW-NWDGAFQWSA-N 0 3 275.779 4.457 20 10 CICDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])c1cccc(Cl)c1 ZINC000020124218 171006285 /nfs/dbraw/zinc/00/62/85/171006285.db2.gz AHYRRIUVGZSXTN-NEPJUHHUSA-N 0 3 275.779 4.457 20 10 CICDHN C[C@H]([NH2+][C@@H]1CCCc2ccccc21)c1ccccc1[O-] ZINC000020133560 171021083 /nfs/dbraw/zinc/02/10/83/171021083.db2.gz XCSJKTMVXOSLKM-SUMWQHHRSA-N 0 3 267.372 4.120 20 10 CICDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCCc3ccccc32)c([O-])c1 ZINC000020133805 171021678 /nfs/dbraw/zinc/02/16/78/171021678.db2.gz VIVWPXZNFBMOHL-KSSFIOAISA-N 0 3 281.399 4.429 20 10 CICDHN C[C@@H]([NH2+][C@@H](C)CCc1ccccc1)c1ccccc1[O-] ZINC000020138366 171025873 /nfs/dbraw/zinc/02/58/73/171025873.db2.gz MQLVVFOPOIDWSV-LSDHHAIUSA-N 0 3 269.388 4.064 20 10 CICDHN C[C@@H](CCc1ccccc1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000020138358 171026181 /nfs/dbraw/zinc/02/61/81/171026181.db2.gz MQLVVFOPOIDWSV-GJZGRUSLSA-N 0 3 269.388 4.064 20 10 CICDHN CN(C)c1ccc(CN[C@@H]2CCSc3ccccc32)cc1 ZINC000020146084 171032077 /nfs/dbraw/zinc/03/20/77/171032077.db2.gz BSJBUNXCOQGTNK-QGZVFWFLSA-N 0 3 298.455 4.079 20 10 CICDHN CC[C@@H]([NH2+][C@@H]1CCCc2occc21)c1ccccc1[O-] ZINC000020204636 171069592 /nfs/dbraw/zinc/06/95/92/171069592.db2.gz WMBRLJDXGTVIDS-HUUCEWRRSA-N 0 3 271.360 4.104 20 10 CICDHN Cc1ccc(C)c([C@H](C)NCc2ccc(N(C)C)cc2)c1 ZINC000021520182 171315777 /nfs/dbraw/zinc/31/57/77/171315777.db2.gz NGQJQDWWFHZKKI-INIZCTEOSA-N 0 3 282.431 4.220 20 10 CICDHN C[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)c1ccccc1 ZINC000037185761 260072746 /nfs/dbraw/zinc/07/27/46/260072746.db2.gz BVGRDHRWLBRNTG-CABCVRRESA-N 0 3 268.404 4.164 20 10 CICDHN Cc1ccc([C@H](C)N[C@@H](C)c2ccc(F)cc2F)c(O)c1 ZINC000036952678 260056280 /nfs/dbraw/zinc/05/62/80/260056280.db2.gz SLHDVZDBESMQJU-RYUDHWBXSA-N 0 3 291.341 4.391 20 10 CICDHN C[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)c1ccccc1 ZINC000037185759 260072603 /nfs/dbraw/zinc/07/26/03/260072603.db2.gz BVGRDHRWLBRNTG-GJZGRUSLSA-N 0 3 268.404 4.164 20 10 CICDHN COc1cccc([C@H](C)[NH2+][C@@H](C)c2cc(C)ccc2[O-])c1 ZINC000037771604 260116272 /nfs/dbraw/zinc/11/62/72/260116272.db2.gz TZYWIHFFAYUVCZ-KBPBESRZSA-N 0 3 285.387 4.121 20 10 CICDHN COc1cccc([C@@H](C)[NH2+][C@@H](C)c2cc(C)ccc2[O-])c1 ZINC000037771606 260116400 /nfs/dbraw/zinc/11/64/00/260116400.db2.gz TZYWIHFFAYUVCZ-KGLIPLIRSA-N 0 3 285.387 4.121 20 10 CICDHN CC[C@@H]([NH2+]CC1(CCOC)CCCC1)c1ccccc1[O-] ZINC000156354793 261120788 /nfs/dbraw/zinc/12/07/88/261120788.db2.gz JHWRMWJBEIJOQY-MRXNPFEDSA-N 0 3 291.435 4.030 20 10 CICDHN CCOc1cccc(CN(C)[C@H](C)c2cccs2)c1O ZINC000157824853 261152769 /nfs/dbraw/zinc/15/27/69/261152769.db2.gz WDCAXFIOLSGLSI-GFCCVEGCSA-N 0 3 291.416 4.045 20 10 CICDHN CC[C@H]([NH2+]C[C@@H](C)c1nc(C)cs1)c1ccccc1[O-] ZINC000158092087 261158729 /nfs/dbraw/zinc/15/87/29/261158729.db2.gz HWFBMWLBUHCFQT-RISCZKNCSA-N 0 3 290.432 4.002 20 10 CICDHN CC[C@H](N[C@@H](C)c1ccc(N(C)CC)cc1)c1ccncc1 ZINC000163655445 261324219 /nfs/dbraw/zinc/32/42/19/261324219.db2.gz CSRQMYRUMSJIAJ-KXBFYZLASA-N 0 3 297.446 4.340 20 10 CICDHN C[C@H]([NH2+][C@@H]1CCc2cc(F)ccc21)c1cc(F)ccc1[O-] ZINC000185216736 262046038 /nfs/dbraw/zinc/04/60/38/262046038.db2.gz RDRAMCUCCKABEI-MGPLVRAMSA-N 0 3 289.325 4.009 20 10 CICDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H](c2ncccc2C)C(C)C)c1 ZINC000185457641 262055430 /nfs/dbraw/zinc/05/54/30/262055430.db2.gz WVHNDROKHSYFKS-CRAIPNDOSA-N 0 3 298.430 4.452 20 10 CICDHN Cc1ccc([C@@H](C)N[C@@H](C)c2cccc(F)c2F)c(O)c1 ZINC000186208158 262084465 /nfs/dbraw/zinc/08/44/65/262084465.db2.gz ICMDZIDZDYHCDP-NEPJUHHUSA-N 0 3 291.341 4.391 20 10 CICDHN Cc1ccc(O)c([C@H](C)N[C@@H](C)c2cccc(F)c2F)c1 ZINC000186207771 262084779 /nfs/dbraw/zinc/08/47/79/262084779.db2.gz XVWSGVZLMSARCR-RYUDHWBXSA-N 0 3 291.341 4.391 20 10 CICDHN COc1ccc([O-])c([C@@H](C)[NH2+]C2(c3ccccc3)CCC2)c1 ZINC000186292684 262088085 /nfs/dbraw/zinc/08/80/85/262088085.db2.gz UCAMVFKPWQICNS-CQSZACIVSA-N 0 3 297.398 4.131 20 10 CICDHN Cc1cc(C[NH2+][C@@H](C)c2ccccc2[O-])ccc1Cl ZINC000186757927 262109049 /nfs/dbraw/zinc/10/90/49/262109049.db2.gz YPBDJXOHZQUIEJ-LBPRGKRZSA-N 0 3 275.779 4.205 20 10 CICDHN CCc1ccc(C[NH2+][C@@H](C)c2cc(C)ccc2[O-])s1 ZINC000185026319 262301284 /nfs/dbraw/zinc/30/12/84/262301284.db2.gz UPAKMLLMVWXBKO-LBPRGKRZSA-N 0 3 275.417 4.175 20 10 CICDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000377654347 329022995 /nfs/dbraw/zinc/02/29/95/329022995.db2.gz TYSKDNSNWDKBSS-ROUUACIJSA-N 0 3 296.414 4.384 20 10 CICDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000377654347 329022997 /nfs/dbraw/zinc/02/29/97/329022997.db2.gz TYSKDNSNWDKBSS-ROUUACIJSA-N 0 3 296.414 4.384 20 10 CICDHN CC[C@H](c1ccccc1[O-])[NH+]1CCC(c2ccncc2)CC1 ZINC000377689974 329025029 /nfs/dbraw/zinc/02/50/29/329025029.db2.gz FTARYKQUVQEBOS-GOSISDBHSA-N 0 3 296.414 4.118 20 10 CICDHN CC[C@@H]([NH2+][C@@H]1CCOc2c(C)cccc21)c1ccccc1[O-] ZINC000189366645 329380152 /nfs/dbraw/zinc/38/01/52/329380152.db2.gz ALRVKMIHNKRKRM-IAGOWNOFSA-N 0 3 297.398 4.265 20 10 CICDHN Cc1ccc(O)c([C@H](C)N[C@H]2CCOc3c(C)cccc32)c1 ZINC000189465603 329381139 /nfs/dbraw/zinc/38/11/39/329381139.db2.gz FVWAKNNROARKIW-YOEHRIQHSA-N 0 3 297.398 4.183 20 10 CICDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCOc3c(C)cccc32)c1 ZINC000189465603 329381140 /nfs/dbraw/zinc/38/11/40/329381140.db2.gz FVWAKNNROARKIW-YOEHRIQHSA-N 0 3 297.398 4.183 20 10 CICDHN Cc1c2ccccc2n(C)c1CN[C@@H](C)c1cnccc1C ZINC000479447668 331730379 /nfs/dbraw/zinc/73/03/79/331730379.db2.gz CGVBITQFZPBEID-HNNXBMFYSA-N 0 3 293.414 4.041 20 10 CICDHN Cc1cc([C@H](C)[NH2+]Cc2cc(F)ccc2[O-])c(C)s1 ZINC000226583848 333265614 /nfs/dbraw/zinc/26/56/14/333265614.db2.gz NYPMKKVUSPKKOQ-JTQLQIEISA-N 0 3 279.380 4.060 20 10 CICDHN CC(C)(C)c1ccc(C[NH2+]Cc2ccccc2[O-])s1 ZINC000157356128 519032069 /nfs/dbraw/zinc/03/20/69/519032069.db2.gz DLVBSSQJGIZVJC-UHFFFAOYSA-N 0 3 275.417 4.041 20 10 CICDHN CCOc1cccc(C[NH2+][C@@H](CC)c2ccccc2[O-])c1 ZINC000037679405 521370337 /nfs/dbraw/zinc/37/03/37/521370337.db2.gz TVZPJUISZSIFCS-KRWDZBQOSA-N 0 3 285.387 4.032 20 10 CICDHN CC[C@H]([NH2+][C@@H]1CCO[C@@H](CC(C)C)C1)c1ccccc1[O-] ZINC000274725226 522721315 /nfs/dbraw/zinc/72/13/15/522721315.db2.gz ANCQBOFDZARPQW-VYDXJSESSA-N 0 3 291.435 4.027 20 10 CICDHN CC[C@@H]([NH2+]Cc1ccccc1N(C)C)c1ccc(C)cc1[O-] ZINC000280184367 522885446 /nfs/dbraw/zinc/88/54/46/522885446.db2.gz RVUJGOCWDNXBPR-QGZVFWFLSA-N 0 3 298.430 4.008 20 10 CICDHN CC[C@@H]([NH2+]Cc1ccsc1)c1ccc(C)cc1[O-] ZINC000280289953 522886114 /nfs/dbraw/zinc/88/61/14/522886114.db2.gz ZDXSDOYVNMULGY-CQSZACIVSA-N 0 3 261.390 4.003 20 10 CICDHN CC[C@@H]([NH2+][C@H](C)c1ccccc1[O-])c1ccc(OC)cc1 ZINC000037067450 522938688 /nfs/dbraw/zinc/93/86/88/522938688.db2.gz NVDFVPODSFAUPP-CXAGYDPISA-N 0 3 285.387 4.203 20 10 CICDHN COc1ccc(CN[C@H](C)c2ccc(C)cc2)cc1C ZINC000037770468 524089656 /nfs/dbraw/zinc/08/96/56/524089656.db2.gz JYSCYZISFKGWEE-OAHLLOKOSA-N 0 3 269.388 4.163 20 10 CICDHN Cc1ccc([O-])c(C[NH2+]Cc2ccc(C(F)(F)F)cc2)c1 ZINC000071409316 525350192 /nfs/dbraw/zinc/35/01/92/525350192.db2.gz VHCCGBMDVXMJCE-UHFFFAOYSA-N 0 3 295.304 4.009 20 10 CICDHN C[C@@H](NC1CC(F)(F)C1)c1ccc(N2CCCCC2)cc1 ZINC000277083241 525394744 /nfs/dbraw/zinc/39/47/44/525394744.db2.gz JVGJJAUDLWSZIA-CYBMUJFWSA-N 0 3 294.389 4.125 20 10 CICDHN C[C@H](NCc1ccc(N2CCCC2)cc1)c1ccsc1 ZINC000061361505 525445340 /nfs/dbraw/zinc/44/53/40/525445340.db2.gz VOQPCOMPABWSHU-AWEZNQCLSA-N 0 3 286.444 4.199 20 10 CICDHN C[C@@H]([NH2+]Cc1ccccc1[O-])c1cccc(C2CC2)c1 ZINC000293932994 525537110 /nfs/dbraw/zinc/53/71/10/525537110.db2.gz YCAVUALZAAXWMD-CYBMUJFWSA-N 0 3 267.372 4.120 20 10 CICDHN C[C@@H]([NH2+][C@H](C)c1ccccc1Cl)c1ccccc1[O-] ZINC000020124034 171005778 /nfs/dbraw/zinc/00/57/78/171005778.db2.gz MWUDCCSXPCIQOW-VXGBXAGGSA-N 0 3 275.779 4.457 20 10 CICDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H](C)c2ccccc2C)c1 ZINC000020126248 171010713 /nfs/dbraw/zinc/01/07/13/171010713.db2.gz UYABPICDPPTNKV-ZIAGYGMSSA-N 0 3 285.387 4.121 20 10 CICDHN CC[C@H]([NH2+][C@@H]1CCc2ccccc21)c1ccccc1[O-] ZINC000020129896 171018620 /nfs/dbraw/zinc/01/86/20/171018620.db2.gz RYHZMVLVKVDJIM-DLBZAZTESA-N 0 3 267.372 4.120 20 10 CICDHN CC[C@@H]([NH2+][C@H]1CCc2ccccc21)c1ccccc1[O-] ZINC000020129897 171018647 /nfs/dbraw/zinc/01/86/47/171018647.db2.gz RYHZMVLVKVDJIM-SJORKVTESA-N 0 3 267.372 4.120 20 10 CICDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCc3ccccc32)c([O-])c1 ZINC000020130128 171019145 /nfs/dbraw/zinc/01/91/45/171019145.db2.gz IWGGBDIKLMWJEF-CXAGYDPISA-N 0 3 267.372 4.039 20 10 CICDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCCc3ccccc32)c([O-])c1 ZINC000020133798 171021876 /nfs/dbraw/zinc/02/18/76/171021876.db2.gz VIVWPXZNFBMOHL-KBXCAEBGSA-N 0 3 281.399 4.429 20 10 CICDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCc3ccccc32)c([O-])c1 ZINC000020133795 171022303 /nfs/dbraw/zinc/02/23/03/171022303.db2.gz VIVWPXZNFBMOHL-RDTXWAMCSA-N 0 3 281.399 4.429 20 10 CICDHN CC[C@@H]([NH2+][C@H]1CCCc2occc21)c1ccccc1[O-] ZINC000020204640 171069397 /nfs/dbraw/zinc/06/93/97/171069397.db2.gz WMBRLJDXGTVIDS-CABCVRRESA-N 0 3 271.360 4.104 20 10 CICDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCCc3occc32)c([O-])c1 ZINC000020205078 171070278 /nfs/dbraw/zinc/07/02/78/171070278.db2.gz OOIJQEDHEQRZNO-SWLSCSKDSA-N 0 3 271.360 4.022 20 10 CICDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(Cl)cc2)c([O-])c1 ZINC000020209943 171074332 /nfs/dbraw/zinc/07/43/32/171074332.db2.gz MIMVUUJYIKNVRO-GFCCVEGCSA-N 0 3 275.779 4.205 20 10 CICDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H](C)c2ccccc2)c1 ZINC000035628462 172307286 /nfs/dbraw/zinc/30/72/86/172307286.db2.gz ZKZYKPRHAHIVTE-KBPBESRZSA-N 0 3 255.361 4.112 20 10 CICDHN CC[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1F)c1ccccc1[O-] ZINC000036952763 260056271 /nfs/dbraw/zinc/05/62/71/260056271.db2.gz NYOATOPZPHOLSW-MEDUHNTESA-N 0 3 291.341 4.472 20 10 CICDHN CC[C@@H]([NH2+][C@@H]1CCc2cc(F)ccc21)c1ccccc1[O-] ZINC000155420781 261101679 /nfs/dbraw/zinc/10/16/79/261101679.db2.gz KMDJSAISCMQDDO-IAGOWNOFSA-N 0 3 285.362 4.260 20 10 CICDHN CC[C@H]([NH2+]CC1(CCOC)CCCC1)c1ccccc1[O-] ZINC000156354675 261120642 /nfs/dbraw/zinc/12/06/42/261120642.db2.gz JHWRMWJBEIJOQY-INIZCTEOSA-N 0 3 291.435 4.030 20 10 CICDHN CCOCCC1(C[NH2+][C@H](CC)c2ccccc2[O-])CCC1 ZINC000156739304 261130923 /nfs/dbraw/zinc/13/09/23/261130923.db2.gz IQWGULUGRFGMTG-MRXNPFEDSA-N 0 3 291.435 4.030 20 10 CICDHN C[C@@H](N[C@H](C)c1cccc(F)c1F)c1ccccc1O ZINC000183634559 261983351 /nfs/dbraw/zinc/98/33/51/261983351.db2.gz HBOLAHKFIKGXNK-GHMZBOCLSA-N 0 3 277.314 4.082 20 10 CICDHN CCN(CC)c1ccc(CN[C@@H](C)c2cncc(C)c2)cc1 ZINC000184286397 262014690 /nfs/dbraw/zinc/01/46/90/262014690.db2.gz YLMOLXSSTJFGBQ-INIZCTEOSA-N 0 3 297.446 4.087 20 10 CICDHN Cc1ccc(O)c([C@@H](C)N[C@H](C)c2cccc(F)c2F)c1 ZINC000186207789 262084705 /nfs/dbraw/zinc/08/47/05/262084705.db2.gz XVWSGVZLMSARCR-VXGBXAGGSA-N 0 3 291.341 4.391 20 10 CICDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H](C)c2ccc(C)cc2)c1 ZINC000037769987 326860761 /nfs/dbraw/zinc/86/07/61/326860761.db2.gz BZEINIMUZDIYCW-ZIAGYGMSSA-N 0 3 285.387 4.121 20 10 CICDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H](C)c2ccc(C)cc2)c1 ZINC000037769986 326860906 /nfs/dbraw/zinc/86/09/06/326860906.db2.gz BZEINIMUZDIYCW-KBPBESRZSA-N 0 3 285.387 4.121 20 10 CICDHN COc1ccc([C@@H](C)[NH2+][C@@H](C)c2cc(C)ccc2[O-])cc1 ZINC000090339567 327094147 /nfs/dbraw/zinc/09/41/47/327094147.db2.gz FSBWCVPWQAQNBE-KGLIPLIRSA-N 0 3 285.387 4.121 20 10 CICDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000377654348 329022968 /nfs/dbraw/zinc/02/29/68/329022968.db2.gz TYSKDNSNWDKBSS-ZWKOTPCHSA-N 0 3 296.414 4.384 20 10 CICDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000377654348 329022969 /nfs/dbraw/zinc/02/29/69/329022969.db2.gz TYSKDNSNWDKBSS-ZWKOTPCHSA-N 0 3 296.414 4.384 20 10 CICDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000377689255 329024933 /nfs/dbraw/zinc/02/49/33/329024933.db2.gz DGVTWGCRJOGTQD-DLBZAZTESA-N 0 3 282.387 4.075 20 10 CICDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000377689255 329024936 /nfs/dbraw/zinc/02/49/36/329024936.db2.gz DGVTWGCRJOGTQD-DLBZAZTESA-N 0 3 282.387 4.075 20 10 CICDHN CC[C@H](c1ccccc1[O-])[N@H+](C)[C@@H]1CCCc2cccnc21 ZINC000377708779 329026480 /nfs/dbraw/zinc/02/64/80/329026480.db2.gz XYUIJAWYBODPKA-IAGOWNOFSA-N 0 3 296.414 4.248 20 10 CICDHN CC[C@H](c1ccccc1[O-])[N@@H+](C)[C@@H]1CCCc2cccnc21 ZINC000377708779 329026481 /nfs/dbraw/zinc/02/64/81/329026481.db2.gz XYUIJAWYBODPKA-IAGOWNOFSA-N 0 3 296.414 4.248 20 10 CICDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCOc3c(C)cccc32)c([O-])c1 ZINC000189460588 329381058 /nfs/dbraw/zinc/38/10/58/329381058.db2.gz VJDNLXRJVKPIFZ-PBHICJAKSA-N 0 3 297.398 4.183 20 10 CICDHN Cc1cc(CNCc2c(C)c3ccccc3n2C)c(C)s1 ZINC000527528451 330260167 /nfs/dbraw/zinc/26/01/67/330260167.db2.gz ZVJVXNSNUZGNKS-UHFFFAOYSA-N 0 3 298.455 4.455 20 10 CICDHN COc1ccc(CN[C@@H](c2ccccn2)C2CCC2)cc1C ZINC000527771807 330282151 /nfs/dbraw/zinc/28/21/51/330282151.db2.gz JYERFUKPQBAFTG-LJQANCHMSA-N 0 3 296.414 4.030 20 10 CICDHN CC[C@H]([NH2+][C@H](c1ccccn1)C1CCC1)c1ccccc1[O-] ZINC000527962701 330300781 /nfs/dbraw/zinc/30/07/81/330300781.db2.gz HOXMQYORIZXXAP-LPHOPBHVSA-N 0 3 296.414 4.369 20 10 CICDHN CCC(F)(F)C(C)(C)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000527977850 330302260 /nfs/dbraw/zinc/30/22/60/330302260.db2.gz BUTKQDMIXQLNKZ-GFCCVEGCSA-N 0 3 283.362 4.041 20 10 CICDHN CC[C@H]([NH2+]Cc1ccccc1N(C)C)c1ccc(C)cc1[O-] ZINC000280184364 522655587 /nfs/dbraw/zinc/65/55/87/522655587.db2.gz RVUJGOCWDNXBPR-KRWDZBQOSA-N 0 3 298.430 4.008 20 10 CICDHN CC[C@H]([NH2+][C@@H]1CCO[C@H](CC(C)C)C1)c1ccccc1[O-] ZINC000274725220 522720004 /nfs/dbraw/zinc/72/00/04/522720004.db2.gz ANCQBOFDZARPQW-INMHGKMJSA-N 0 3 291.435 4.027 20 10 CICDHN CC[C@@H]([NH2+]C1(c2ccccc2)CC1)c1ccccc1[O-] ZINC000274763113 522810179 /nfs/dbraw/zinc/81/01/79/522810179.db2.gz KQYIETPSSCBTAW-MRXNPFEDSA-N 0 3 267.372 4.122 20 10 CICDHN CC[C@@H]([NH2+]Cc1cccc(N(C)C)c1)c1ccc(C)cc1[O-] ZINC000280134156 522881387 /nfs/dbraw/zinc/88/13/87/522881387.db2.gz PGODKCUVKPGSDI-GOSISDBHSA-N 0 3 298.430 4.008 20 10 CICDHN CC[C@@H]([NH2+][C@@H](CC)c1ccncc1)c1ccc(C)cc1[O-] ZINC000280097366 522920239 /nfs/dbraw/zinc/92/02/39/522920239.db2.gz MVJFUAOCONVKBX-DLBZAZTESA-N 0 3 284.403 4.288 20 10 CICDHN CC[C@@H]([NH2+][C@@H](COC)c1ccccc1)c1ccc(C)cc1[O-] ZINC000279970053 522921802 /nfs/dbraw/zinc/92/18/02/522921802.db2.gz CWWPWHYXYONZOS-MSOLQXFVSA-N 0 3 299.414 4.129 20 10 CICDHN CC[C@@H]([NH2+][C@H](C)c1ccc(F)c(F)c1)c1ccccc1[O-] ZINC000036953107 522935119 /nfs/dbraw/zinc/93/51/19/522935119.db2.gz YWFPEYXAIBYPRT-BDJLRTHQSA-N 0 3 291.341 4.472 20 10 CICDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCCc3ccccc32)c1 ZINC000120512970 524765335 /nfs/dbraw/zinc/76/53/35/524765335.db2.gz HATUPEMSPJXCRZ-FZKQIMNGSA-N 0 3 297.398 4.129 20 10 CICDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCc3cc(C)ccc32)c1 ZINC000273464197 524766004 /nfs/dbraw/zinc/76/60/04/524766004.db2.gz DGVCOCQJZQWRIU-ACJLOTCBSA-N 0 3 297.398 4.047 20 10 CICDHN Cc1ccccc1[C@@H](C)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000094616865 525361756 /nfs/dbraw/zinc/36/17/56/525361756.db2.gz BIZVWXKMICZJQS-CHWSQXEVSA-N 0 3 273.351 4.252 20 10 CICDHN Cc1ccc([O-])c([C@H](C)[NH2+]Cc2cccc(Cl)c2)c1 ZINC000053147838 525364485 /nfs/dbraw/zinc/36/44/85/525364485.db2.gz OYIKSTDXTKAKDW-LBPRGKRZSA-N 0 3 275.779 4.205 20 10 CICDHN Cc1[nH]c2c(cc(C)cc2C[NH2+]Cc2ccccc2[O-])c1C ZINC000264234096 525414691 /nfs/dbraw/zinc/41/46/91/525414691.db2.gz CNYAYSZQHVXVEI-UHFFFAOYSA-N 0 3 294.398 4.089 20 10 CICDHN C[C@@H]([NH2+]Cc1ccc(C2CC2)cc1F)c1ccccc1[O-] ZINC000293369610 525519952 /nfs/dbraw/zinc/51/99/52/525519952.db2.gz HVDMNRKXAWLMDS-GFCCVEGCSA-N 0 3 285.362 4.260 20 10 CICDHN C[C@@H]([NH2+][C@H](c1ccccc1)C1CC1)c1cc(F)ccc1[O-] ZINC000094617414 525669377 /nfs/dbraw/zinc/66/93/77/525669377.db2.gz MCKPTFUHOHEYJH-KZULUSFZSA-N 0 3 285.362 4.333 20 10 CICDHN CSc1ccc([C@@H](C)[NH2+]Cc2cc(C)ccc2[O-])cc1 ZINC000071407540 526061121 /nfs/dbraw/zinc/06/11/21/526061121.db2.gz XTIABTBFHUJUFU-CYBMUJFWSA-N 0 3 287.428 4.273 20 10 CICDHN