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]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc(Cl)cc1 ZINC000020121853 171001313 /nfs/dbraw/zinc/00/13/13/171001313.db2.gz IOIPYGVOOUWAKK-CYBMUJFWSA-N 1 0 288.822 4.257 20 10 CICDRO Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000020126168 171009488 /nfs/dbraw/zinc/00/94/88/171009488.db2.gz IHGHBKINRDQWIQ-KGLIPLIRSA-N 1 0 255.361 4.112 20 10 CICDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2ccccc2C)c1 ZINC000020126247 171010405 /nfs/dbraw/zinc/01/04/05/171010405.db2.gz UYABPICDPPTNKV-KBPBESRZSA-N 1 0 285.387 4.121 20 10 CICDRO CN(C)c1ccc(C[NH2+][C@H]2CCSc3ccccc32)cc1 ZINC000020146085 171031676 /nfs/dbraw/zinc/03/16/76/171031676.db2.gz BSJBUNXCOQGTNK-KRWDZBQOSA-N 1 0 298.455 4.079 20 10 CICDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2ccccc2)c1 ZINC000035628461 172307290 /nfs/dbraw/zinc/30/72/90/172307290.db2.gz ZKZYKPRHAHIVTE-UONOGXRCSA-N 1 0 255.361 4.112 20 10 CICDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCCOC2CCCCC2)c1 ZINC000035628927 172307866 /nfs/dbraw/zinc/30/78/66/172307866.db2.gz GFMMQQSGWMYKFH-OAHLLOKOSA-N 1 0 291.435 4.091 20 10 CICDRO Oc1ccc(Cl)cc1C[NH2+]Cc1cccc2ccccc21 ZINC000036388002 172628474 /nfs/dbraw/zinc/62/84/74/172628474.db2.gz ZVTPVWVHPXBYDS-UHFFFAOYSA-N 1 0 297.785 4.489 20 10 CICDRO C[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC000037185771 260073151 /nfs/dbraw/zinc/07/31/51/260073151.db2.gz ZJZBCXYUXBLDGF-MRXNPFEDSA-N 1 0 280.415 4.138 20 10 CICDRO CCOCc1ccc(C[NH2+][C@H](CC)c2ccccc2O)cc1 ZINC000155086839 261097694 /nfs/dbraw/zinc/09/76/94/261097694.db2.gz HWJWSOGDXGXRMK-GOSISDBHSA-N 1 0 299.414 4.170 20 10 CICDRO CC[C@H]([NH2+]Cc1cccs1)c1ccc(N(C)C)cc1 ZINC000156513941 261124963 /nfs/dbraw/zinc/12/49/63/261124963.db2.gz TWJVTEKMZQFXMX-INIZCTEOSA-N 1 0 274.433 4.055 20 10 CICDRO CC[C@@H]([NH2+][C@H](C)c1cccc(F)c1F)c1ccccc1O ZINC000156996163 261137460 /nfs/dbraw/zinc/13/74/60/261137460.db2.gz MYJHDWYMKVZESH-IAQYHMDHSA-N 1 0 291.341 4.472 20 10 CICDRO CC[C@@H]([NH2+]C[C@H](C)c1nc(C)cs1)c1ccccc1O ZINC000158092536 261158351 /nfs/dbraw/zinc/15/83/51/261158351.db2.gz HWFBMWLBUHCFQT-SMDDNHRTSA-N 1 0 290.432 4.002 20 10 CICDRO CCc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCCC3)cc2)o1 ZINC000177976004 261722637 /nfs/dbraw/zinc/72/26/37/261722637.db2.gz LZCMJVREJUYHBN-OAHLLOKOSA-N 1 0 298.430 4.293 20 10 CICDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCc3cc(F)ccc32)c1 ZINC000185216200 262046155 /nfs/dbraw/zinc/04/61/55/262046155.db2.gz BYQCADSBPIHNGE-YVEFUNNKSA-N 1 0 285.362 4.178 20 10 CICDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCOc3ccccc32)c(O)c1 ZINC000185270991 262048567 /nfs/dbraw/zinc/04/85/67/262048567.db2.gz RWSDAMCGSXFNRF-YOEHRIQHSA-N 1 0 297.398 4.265 20 10 CICDRO Cc1ccc([C@H](C)[NH2+][C@@H](c2ncccc2C)C(C)C)c(O)c1 ZINC000185458120 262054988 /nfs/dbraw/zinc/05/49/88/262054988.db2.gz RHKMCSJRWXIMCH-MAUKXSAKSA-N 1 0 298.430 4.452 20 10 CICDRO Cc1ccc([C@@H](C)[NH2+][C@@H](c2ncccc2C)C(C)C)c(O)c1 ZINC000185458099 262055041 /nfs/dbraw/zinc/05/50/41/262055041.db2.gz RHKMCSJRWXIMCH-CRAIPNDOSA-N 1 0 298.430 4.452 20 10 CICDRO Cc1ccc([C@@H](C)[NH2+][C@H](c2ncccc2C)C(C)C)c(O)c1 ZINC000185458141 262055183 /nfs/dbraw/zinc/05/51/83/262055183.db2.gz RHKMCSJRWXIMCH-QAPCUYQASA-N 1 0 298.430 4.452 20 10 CICDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cccc(F)c2F)c(O)c1 ZINC000186208177 262084657 /nfs/dbraw/zinc/08/46/57/262084657.db2.gz ICMDZIDZDYHCDP-RYUDHWBXSA-N 1 0 291.341 4.391 20 10 CICDRO Cc1ccsc1C[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000293607272 263144096 /nfs/dbraw/zinc/14/40/96/263144096.db2.gz GJDLSSNBKZZOGF-ZDUSSCGKSA-N 1 0 275.417 4.230 20 10 CICDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCC[C@@H]1c1c(C)n[nH]c1C ZINC000367729460 267113698 /nfs/dbraw/zinc/11/36/98/267113698.db2.gz UIEZHNABXKCVOO-JKSUJKDBSA-N 1 0 299.418 4.020 20 10 CICDRO CC[C@H](c1ccccc1O)[N@@H+]1CCC[C@@H]1c1c(C)n[nH]c1C ZINC000367729459 267113859 /nfs/dbraw/zinc/11/38/59/267113859.db2.gz UIEZHNABXKCVOO-HZPDHXFCSA-N 1 0 299.418 4.020 20 10 CICDRO CC[C@H]([NH2+]Cc1sccc1C)c1ccccc1O ZINC000094875228 522676511 /nfs/dbraw/zinc/67/65/11/522676511.db2.gz XHLMFWSCVIREND-ZDUSSCGKSA-N 1 0 261.390 4.003 20 10 CICDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2ccc(C)cc2)c1 ZINC000037769988 326860851 /nfs/dbraw/zinc/86/08/51/326860851.db2.gz BZEINIMUZDIYCW-UONOGXRCSA-N 1 0 285.387 4.121 20 10 CICDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(OC)cc1)c1ccccc1O ZINC000090339842 327094342 /nfs/dbraw/zinc/09/43/42/327094342.db2.gz PJAXJRLOSRUEFS-SUMWQHHRSA-N 1 0 285.387 4.203 20 10 CICDRO CC[C@@H](c1ccccc1O)[N@H+](C)[C@@H]1CCCc2cccnc21 ZINC000377708778 329026469 /nfs/dbraw/zinc/02/64/69/329026469.db2.gz XYUIJAWYBODPKA-DLBZAZTESA-N 1 0 296.414 4.248 20 10 CICDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCOc3c(C)cccc32)c(O)c1 ZINC000189367607 329380382 /nfs/dbraw/zinc/38/03/82/329380382.db2.gz VJDNLXRJVKPIFZ-RHSMWYFYSA-N 1 0 297.398 4.183 20 10 CICDRO COc1ccc(C[NH2+][C@H](c2ccccn2)C2CCC2)cc1C ZINC000527771798 330282109 /nfs/dbraw/zinc/28/21/09/330282109.db2.gz JYERFUKPQBAFTG-IBGZPJMESA-N 1 0 296.414 4.030 20 10 CICDRO C[C@H]([NH2+][C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21)c1ccccc1O ZINC000527941855 330294020 /nfs/dbraw/zinc/29/40/20/330294020.db2.gz ITWIABQORIBYGA-ZGZIKQBOSA-N 1 0 299.801 4.035 20 10 CICDRO CCC(F)(F)C(C)(C)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000527977853 330302237 /nfs/dbraw/zinc/30/22/37/330302237.db2.gz BUTKQDMIXQLNKZ-LBPRGKRZSA-N 1 0 283.362 4.041 20 10 CICDRO CC[C@H]([NH2+]Cc1c(C)c2ccccc2n1C)c1ccncc1 ZINC000453233957 331104805 /nfs/dbraw/zinc/10/48/05/331104805.db2.gz XZKRFPUSMDCTBI-KRWDZBQOSA-N 1 0 293.414 4.123 20 10 CICDRO CCc1ccc([C@@H](C)[NH2+]Cc2c(C)c3ccccc3n2C)o1 ZINC000479447771 331730437 /nfs/dbraw/zinc/73/04/37/331730437.db2.gz COSIGDORBQLHNC-CQSZACIVSA-N 1 0 296.414 4.493 20 10 CICDRO CSc1ccc([C@H](C)[NH2+]Cc2cc(F)ccc2O)cc1 ZINC000226583943 333265423 /nfs/dbraw/zinc/26/54/23/333265423.db2.gz MPXQTIJVSNTTPE-NSHDSACASA-N 1 0 291.391 4.104 20 10 CICDRO CC(C)Oc1cccc([C@H](C)[NH2+]Cc2ccccc2O)c1 ZINC000036997361 519783662 /nfs/dbraw/zinc/78/36/62/519783662.db2.gz SIKPVPAPMRXPGW-AWEZNQCLSA-N 1 0 285.387 4.030 20 10 CICDRO CC[C@H]([NH2+][C@@H](C)c1cc(OC)ccc1O)c1ccccc1 ZINC000051626357 522695715 /nfs/dbraw/zinc/69/57/15/522695715.db2.gz ZVDSTNPSTKSZDE-GUYCJALGSA-N 1 0 285.387 4.203 20 10 CICDRO CC[C@H]([NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1)c1ccccc1O ZINC000274805861 522721210 /nfs/dbraw/zinc/72/12/10/522721210.db2.gz WPEJAVVHUKUMTO-UKPHBRMFSA-N 1 0 291.435 4.027 20 10 CICDRO CC[C@@H]([NH2+]Cc1ccc(C)s1)c1ccc(C)cc1O ZINC000279999603 522874433 /nfs/dbraw/zinc/87/44/33/522874433.db2.gz FVHNRXODYLQKFW-OAHLLOKOSA-N 1 0 275.417 4.311 20 10 CICDRO CN(c1ccc(C[NH2+]Cc2cc[nH]c2)cc1)C1CCCCC1 ZINC000086252196 523637202 /nfs/dbraw/zinc/63/72/02/523637202.db2.gz HKNPXVWUHFHUEY-UHFFFAOYSA-N 1 0 297.446 4.073 20 10 CICDRO Cc1cccc(C[NH2+]Cc2ccc(C3CC3)cc2F)c1O ZINC000292847046 524432108 /nfs/dbraw/zinc/43/21/08/524432108.db2.gz STSLICCRNWFUEC-UHFFFAOYSA-N 1 0 285.362 4.007 20 10 CICDRO Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000094616863 525362004 /nfs/dbraw/zinc/36/20/04/525362004.db2.gz BIZVWXKMICZJQS-OLZOCXBDSA-N 1 0 273.351 4.252 20 10 CICDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCc3sccc32)c1 ZINC000061360002 525363957 /nfs/dbraw/zinc/36/39/57/525363957.db2.gz DJOXINOMIUJALQ-SWLSCSKDSA-N 1 0 287.428 4.490 20 10 CICDRO C[C@@H]([NH2+]CC1CC(F)(F)C1)c1ccc2ccccc2c1O ZINC000293261951 525423324 /nfs/dbraw/zinc/42/33/24/525423324.db2.gz BZNPZVFSOVUPBA-LLVKDONJSA-N 1 0 291.341 4.241 20 10 CICDRO C[C@H]([NH2+]Cc1ccc(C2CC2)cc1F)c1ccccc1O ZINC000293369623 525441142 /nfs/dbraw/zinc/44/11/42/525441142.db2.gz HVDMNRKXAWLMDS-LBPRGKRZSA-N 1 0 285.362 4.260 20 10 CICDRO C[C@H]([NH2+][C@@H]1CCCc2sccc21)c1cc(F)ccc1O ZINC000094618123 525563330 /nfs/dbraw/zinc/56/33/30/525563330.db2.gz VAQORAAUOVHBDD-IINYFYTJSA-N 1 0 291.391 4.321 20 10 CICDRO C[C@@H]([NH2+][C@@H]1CCCc2occc21)c1ccc(N(C)C)cc1 ZINC000037241856 525640855 /nfs/dbraw/zinc/64/08/55/525640855.db2.gz GXGJYAQPLVYKHO-CXAGYDPISA-N 1 0 284.403 4.074 20 10 CICDRO C[C@@H]([NH2+][C@H]1CCCc2sccc21)c1ccccc1O ZINC000061359864 525681910 /nfs/dbraw/zinc/68/19/10/525681910.db2.gz SQGRMDYHTWHHAR-RISCZKNCSA-N 1 0 273.401 4.182 20 10 CICDRO CSc1ccc([C@H](C)[NH2+]Cc2cc(C)ccc2O)cc1 ZINC000071407539 526073824 /nfs/dbraw/zinc/07/38/24/526073824.db2.gz XTIABTBFHUJUFU-ZDUSSCGKSA-N 1 0 287.428 4.273 20 10 CICDRO CSc1ccc([C@H](C)[NH2+][C@H]2CCc3cccc(O)c32)cc1 ZINC000296461809 526075604 /nfs/dbraw/zinc/07/56/04/526075604.db2.gz NXALPRFYXIAEHC-LRDDRELGSA-N 1 0 299.439 4.452 20 10 CICDRO CCc1ccc(C[NH2+][C@H](C)c2cc(C)ccc2O)s1 ZINC000185026336 262301298 /nfs/dbraw/zinc/30/12/98/262301298.db2.gz UPAKMLLMVWXBKO-GFCCVEGCSA-N 1 0 275.417 4.175 20 10 CICDRO C[C@@H]([NH2+][C@H](c1ccco1)c1ccccc1)c1ccccc1O ZINC000192791571 533537903 /nfs/dbraw/zinc/53/79/03/533537903.db2.gz GBTWVPOWOZDJJH-KUHUBIRLSA-N 1 0 293.366 4.425 20 10 CICDRO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000020126169 171009970 /nfs/dbraw/zinc/00/99/70/171009970.db2.gz IHGHBKINRDQWIQ-KBPBESRZSA-N 1 0 255.361 4.112 20 10 CICDRO C[C@H]([NH2+][C@H]1CCCc2ccccc21)c1ccccc1O ZINC000020133567 171021120 /nfs/dbraw/zinc/02/11/20/171021120.db2.gz XCSJKTMVXOSLKM-GUYCJALGSA-N 1 0 267.372 4.120 20 10 CICDRO COc1ccccc1[C@H](C)[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000035628752 172307848 /nfs/dbraw/zinc/30/78/48/172307848.db2.gz WEVGYLZPEPYHMI-KBPBESRZSA-N 1 0 285.387 4.121 20 10 CICDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCc3ccccc32)c1 ZINC000035628830 172307863 /nfs/dbraw/zinc/30/78/63/172307863.db2.gz NXVHKDHUTSQQLX-SUMWQHHRSA-N 1 0 267.372 4.039 20 10 CICDRO COc1ccccc1[C@@H](C)[NH2+][C@H](C)c1cc(C)ccc1O ZINC000035628753 172308428 /nfs/dbraw/zinc/30/84/28/172308428.db2.gz WEVGYLZPEPYHMI-ZIAGYGMSSA-N 1 0 285.387 4.121 20 10 CICDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCc3occc32)c1 ZINC000035628961 172308486 /nfs/dbraw/zinc/30/84/86/172308486.db2.gz PTRLUOVXMQBQNC-IUODEOHRSA-N 1 0 271.360 4.022 20 10 CICDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc(Cl)cc1 ZINC000037362741 173151887 /nfs/dbraw/zinc/15/18/87/173151887.db2.gz ZQXIBVCCOQXVSN-LBPRGKRZSA-N 1 0 287.790 4.126 20 10 CICDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2cccs2)cc1 ZINC000156496595 261124681 /nfs/dbraw/zinc/12/46/81/261124681.db2.gz MFLBSXVONPELGC-CYBMUJFWSA-N 1 0 274.433 4.055 20 10 CICDRO CC[C@@H]([NH2+][C@@H](CC)c1ccc(N(C)C)cc1)c1ccncc1 ZINC000163713268 261326575 /nfs/dbraw/zinc/32/65/75/261326575.db2.gz YKTHBQXGAMNPJV-RBUKOAKNSA-N 1 0 297.446 4.340 20 10 CICDRO C[C@@H]([NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)c1ccccn1 ZINC000184845834 262030969 /nfs/dbraw/zinc/03/09/69/262030969.db2.gz OOUDDZBEMAAOMH-UONOGXRCSA-N 1 0 296.414 4.078 20 10 CICDRO C[C@H]([NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)c1ccccn1 ZINC000184845816 262030988 /nfs/dbraw/zinc/03/09/88/262030988.db2.gz OOUDDZBEMAAOMH-KBPBESRZSA-N 1 0 296.414 4.078 20 10 CICDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCc3cc(F)ccc32)c(O)c1 ZINC000185216609 262046093 /nfs/dbraw/zinc/04/60/93/262046093.db2.gz PDHFDKSXFYRESS-SJCJKPOMSA-N 1 0 285.362 4.178 20 10 CICDRO C[C@@H]([NH2+]Cc1ccc(C(F)F)cc1)c1cc(F)ccc1O ZINC000185354381 327838376 /nfs/dbraw/zinc/83/83/76/327838376.db2.gz VAVHYKKTYXRLNC-SNVBAGLBSA-N 1 0 295.304 4.320 20 10 CICDRO Cc1cc([C@@H](C)[NH2+]Cc2cccc(C)c2O)c(C)s1 ZINC000124685745 327988210 /nfs/dbraw/zinc/98/82/10/327988210.db2.gz SLRQVQHCJHCQCY-GFCCVEGCSA-N 1 0 275.417 4.230 20 10 CICDRO CC(C)Oc1ccc([C@@H](C)[NH2+]Cc2ccccc2O)cc1 ZINC000036921719 326831341 /nfs/dbraw/zinc/83/13/41/326831341.db2.gz SZNGTQMWFNRIJX-CQSZACIVSA-N 1 0 285.387 4.030 20 10 CICDRO COc1ccc([C@H](C)[NH2+][C@H](C)c2cc(C)ccc2O)cc1 ZINC000090339564 327094239 /nfs/dbraw/zinc/09/42/39/327094239.db2.gz FSBWCVPWQAQNBE-UONOGXRCSA-N 1 0 285.387 4.121 20 10 CICDRO CCCO[C@@H]1CCC[N@@H+]([C@H](CC)c2ccccc2O)CC1 ZINC000377654872 329023017 /nfs/dbraw/zinc/02/30/17/329023017.db2.gz UZLAMHMJAPOEAP-NVXWUHKLSA-N 1 0 291.435 4.124 20 10 CICDRO CC[C@H]([NH2+][C@H]1CCOc2c(C)cccc21)c1ccccc1O ZINC000189459945 329382708 /nfs/dbraw/zinc/38/27/08/329382708.db2.gz ALRVKMIHNKRKRM-IRXDYDNUSA-N 1 0 297.398 4.265 20 10 CICDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCc3cc(Cl)ccc32)c1 ZINC000527795246 330283985 /nfs/dbraw/zinc/28/39/85/330283985.db2.gz PMYIGGMAHZFUBA-MRXNPFEDSA-N 1 0 287.790 4.131 20 10 CICDRO C[C@H]([NH2+][C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12)c1ccccc1O ZINC000527941854 330294028 /nfs/dbraw/zinc/29/40/28/330294028.db2.gz ITWIABQORIBYGA-XNHCUKIZSA-N 1 0 299.801 4.035 20 10 CICDRO C[C@@H]([NH2+]CC1CC=CC1)c1ccc2ccccc2c1O ZINC000527951467 330294403 /nfs/dbraw/zinc/29/44/03/330294403.db2.gz PXVWMDRYXGBSFZ-CYBMUJFWSA-N 1 0 267.372 4.162 20 10 CICDRO C[C@H]([NH2+]CC[C@H]1CCCOC1)c1ccc2ccccc2c1O ZINC000527935181 330297948 /nfs/dbraw/zinc/29/79/48/330297948.db2.gz YAKSBAZQTDZVHV-LSDHHAIUSA-N 1 0 299.414 4.013 20 10 CICDRO Cc1ccc([C@H](C)[NH2+][C@H](c2ccccn2)C2CCC2)c(O)c1 ZINC000527968554 330301474 /nfs/dbraw/zinc/30/14/74/330301474.db2.gz RXZWEFKOYCJFHQ-LIRRHRJNSA-N 1 0 296.414 4.288 20 10 CICDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1cc(F)ccc1C ZINC000475189091 331617182 /nfs/dbraw/zinc/61/71/82/331617182.db2.gz DRMVUBLZNVYLSL-UHFFFAOYSA-N 1 0 296.389 4.224 20 10 CICDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1ccc(C)c(F)c1 ZINC000475200360 331617969 /nfs/dbraw/zinc/61/79/69/331617969.db2.gz ZDLHAJILAHEAQQ-UHFFFAOYSA-N 1 0 296.389 4.224 20 10 CICDRO COc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000268721863 334715073 /nfs/dbraw/zinc/71/50/73/334715073.db2.gz KSBKQJPIHIJHDT-LSDHHAIUSA-N 1 0 298.430 4.173 20 10 CICDRO CC(C)[C@H]([NH2+][C@H](C)c1ccccc1O)c1ccccc1 ZINC000036967782 519821647 /nfs/dbraw/zinc/82/16/47/519821647.db2.gz FDLKJSHSYAJUNE-KDOFPFPSSA-N 1 0 269.388 4.440 20 10 CICDRO CCC[C@@H]([NH2+]Cc1ccccc1O)c1ccccc1 ZINC000037062428 520783846 /nfs/dbraw/zinc/78/38/46/520783846.db2.gz LPNAQHBQLVNEBJ-MRXNPFEDSA-N 1 0 255.361 4.023 20 10 CICDRO CCOc1cccc(C[NH2+][C@H](CC)c2ccccc2)c1O ZINC000051626380 521376061 /nfs/dbraw/zinc/37/60/61/521376061.db2.gz VHMKHYCCTWVLIV-MRXNPFEDSA-N 1 0 285.387 4.032 20 10 CICDRO CC[C@@H]([NH2+]Cc1cccs1)c1ccc(C)cc1O ZINC000279968280 522887794 /nfs/dbraw/zinc/88/77/94/522887794.db2.gz CVFPDPDFJCCILS-CQSZACIVSA-N 1 0 261.390 4.003 20 10 CICDRO COCc1ccccc1C[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000293222735 523105669 /nfs/dbraw/zinc/10/56/69/523105669.db2.gz AKSFAFVSJVCSOE-OAHLLOKOSA-N 1 0 299.414 4.006 20 10 CICDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(Cl)c2)c1 ZINC000053147835 525362580 /nfs/dbraw/zinc/36/25/80/525362580.db2.gz OYIKSTDXTKAKDW-GFCCVEGCSA-N 1 0 275.779 4.205 20 10 CICDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2ccc(F)cc2F)c1 ZINC000036952892 525363162 /nfs/dbraw/zinc/36/31/62/525363162.db2.gz PMCDJWNQTBNIDT-NWDGAFQWSA-N 1 0 291.341 4.391 20 10 CICDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccccc1Cl ZINC000037362765 525531296 /nfs/dbraw/zinc/53/12/96/525531296.db2.gz WBSLKFNTMJNUDG-GFCCVEGCSA-N 1 0 287.790 4.126 20 10 CICDRO C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)c1ccccc1O ZINC000036953218 525606131 /nfs/dbraw/zinc/60/61/31/525606131.db2.gz CDSRBWLDLGGWBM-WDEREUQCSA-N 1 0 277.314 4.082 20 10 CICDRO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1F)c1cc(F)ccc1O ZINC000094617205 525609494 /nfs/dbraw/zinc/60/94/94/525609494.db2.gz CMDHUMJUPZQYIY-VHSXEESVSA-N 1 0 295.304 4.221 20 10 CICDRO C[C@H]([NH2+][C@H]1CCCc2sccc21)c1ccccc1O ZINC000061359863 525615273 /nfs/dbraw/zinc/61/52/73/525615273.db2.gz SQGRMDYHTWHHAR-FZMZJTMJSA-N 1 0 273.401 4.182 20 10 CICDRO C[C@@H]([NH2+][C@H]1CCSc2ccccc21)c1ccccc1O ZINC000037128141 525690630 /nfs/dbraw/zinc/69/06/30/525690630.db2.gz UHUJRJAAHLIXBL-DOMZBBRYSA-N 1 0 285.412 4.280 20 10 CICDRO C[C@@H]([NH2+][C@H]1CCCc2ccccc21)c1ccccc1O ZINC000020133564 171021194 /nfs/dbraw/zinc/02/11/94/171021194.db2.gz XCSJKTMVXOSLKM-DYVFJYSZSA-N 1 0 267.372 4.120 20 10 CICDRO C[C@H]([NH2+]Cc1cccs1)c1ccc2ccccc2c1O ZINC000020139027 171026073 /nfs/dbraw/zinc/02/60/73/171026073.db2.gz CRFPLMSGLQEASJ-LBPRGKRZSA-N 1 0 283.396 4.458 20 10 CICDRO C[C@H](CCc1ccccc1)[NH2+][C@H](C)c1ccccc1O ZINC000020138369 171026111 /nfs/dbraw/zinc/02/61/11/171026111.db2.gz MQLVVFOPOIDWSV-HUUCEWRRSA-N 1 0 269.388 4.064 20 10 CICDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(Cl)cc2)c1 ZINC000035628969 172309048 /nfs/dbraw/zinc/30/90/48/172309048.db2.gz ZYXVRJQMNVTKEX-GFCCVEGCSA-N 1 0 275.779 4.205 20 10 CICDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(F)cc2F)c(O)c1 ZINC000036952680 260056205 /nfs/dbraw/zinc/05/62/05/260056205.db2.gz SLHDVZDBESMQJU-NEPJUHHUSA-N 1 0 291.341 4.391 20 10 CICDRO CC[C@H]([NH2+][C@@H]1CCc2cc(F)ccc21)c1ccccc1O ZINC000155420665 261101630 /nfs/dbraw/zinc/10/16/30/261101630.db2.gz KMDJSAISCMQDDO-DLBZAZTESA-N 1 0 285.362 4.260 20 10 CICDRO CC[C@H]([NH2+][C@@H](C)c1cccc(F)c1F)c1ccccc1O ZINC000156995728 261137150 /nfs/dbraw/zinc/13/71/50/261137150.db2.gz MYJHDWYMKVZESH-NHYWBVRUSA-N 1 0 291.341 4.472 20 10 CICDRO CC[C@H]([NH2+]C1(c2ccccc2F)CC1)c1ccccc1O ZINC000157321967 261144510 /nfs/dbraw/zinc/14/45/10/261144510.db2.gz GXNKQVFZMKDIIL-INIZCTEOSA-N 1 0 285.362 4.261 20 10 CICDRO CC[C@H]([NH2+]C[C@H](C)c1ncc(C)s1)c1ccccc1O ZINC000158101832 261158520 /nfs/dbraw/zinc/15/85/20/261158520.db2.gz WFYALGSNCAIKRC-FZMZJTMJSA-N 1 0 290.432 4.002 20 10 CICDRO CC[C@@H]([NH2+]Cc1ccsc1)c1ccc(N(C)C)cc1 ZINC000178024783 261722996 /nfs/dbraw/zinc/72/29/96/261722996.db2.gz IVEPLWNKVYTDCK-MRXNPFEDSA-N 1 0 274.433 4.055 20 10 CICDRO C[C@@H]([NH2+][C@H]1CCCc2occc21)c1cc(Cl)ccc1O ZINC000184996704 262036607 /nfs/dbraw/zinc/03/66/07/262036607.db2.gz ZASBQNHWAPZHGZ-YGRLFVJLSA-N 1 0 291.778 4.367 20 10 CICDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCOc3ccccc32)c(O)c1 ZINC000185270938 262048165 /nfs/dbraw/zinc/04/81/65/262048165.db2.gz RWSDAMCGSXFNRF-RHSMWYFYSA-N 1 0 297.398 4.265 20 10 CICDRO C[C@@H]([NH2+][C@@H](C)c1cccc(F)c1F)c1cc(F)ccc1O ZINC000186208424 262084387 /nfs/dbraw/zinc/08/43/87/262084387.db2.gz YYUAHAUJCQYNNQ-VHSXEESVSA-N 1 0 295.304 4.221 20 10 CICDRO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1cccc(F)c1F ZINC000186208407 262084648 /nfs/dbraw/zinc/08/46/48/262084648.db2.gz YYUAHAUJCQYNNQ-ZJUUUORDSA-N 1 0 295.304 4.221 20 10 CICDRO Cc1ccc([C@@H](C)[NH2+]C2(c3ccccc3F)CC2)c(O)c1 ZINC000186322697 262088528 /nfs/dbraw/zinc/08/85/28/262088528.db2.gz JWGUXMRSYSDUOL-CYBMUJFWSA-N 1 0 285.362 4.180 20 10 CICDRO C[C@H]([NH2+]C1(c2cccc(F)c2)CC1)c1cc(F)ccc1O ZINC000186321900 262088809 /nfs/dbraw/zinc/08/88/09/262088809.db2.gz CARDYAVNYXEJFX-NSHDSACASA-N 1 0 289.325 4.010 20 10 CICDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCC[C@H]1c1c(C)n[nH]c1C ZINC000367729458 267113492 /nfs/dbraw/zinc/11/34/92/267113492.db2.gz UIEZHNABXKCVOO-HOTGVXAUSA-N 1 0 299.418 4.020 20 10 CICDRO C[C@H]([NH2+][C@@H]1CCc2c1cccc2Cl)c1ccccc1O ZINC000179904264 327803738 /nfs/dbraw/zinc/80/37/38/327803738.db2.gz UGRADPCWYNKSJT-MEDUHNTESA-N 1 0 287.790 4.384 20 10 CICDRO C[C@@H]([NH2+][C@H]1CCc2c1cccc2Cl)c1ccccc1O ZINC000179904316 327803852 /nfs/dbraw/zinc/80/38/52/327803852.db2.gz UGRADPCWYNKSJT-BZNIZROVSA-N 1 0 287.790 4.384 20 10 CICDRO CC[C@H](c1ccccc1O)[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000377689260 329024980 /nfs/dbraw/zinc/02/49/80/329024980.db2.gz DGVTWGCRJOGTQD-SJORKVTESA-N 1 0 282.387 4.075 20 10 CICDRO CC[C@@H]([NH2+][C@H]1CCOc2c(C)cccc21)c1ccccc1O ZINC000189459966 329382640 /nfs/dbraw/zinc/38/26/40/329382640.db2.gz ALRVKMIHNKRKRM-SJORKVTESA-N 1 0 297.398 4.265 20 10 CICDRO C[C@H]([NH2+]CC1CC=CC1)c1ccc2ccccc2c1O ZINC000527951470 330294417 /nfs/dbraw/zinc/29/44/17/330294417.db2.gz PXVWMDRYXGBSFZ-ZDUSSCGKSA-N 1 0 267.372 4.162 20 10 CICDRO CCc1ccc([C@H](C)[NH2+]Cc2c(C)c3ccccc3n2C)o1 ZINC000479447770 331730366 /nfs/dbraw/zinc/73/03/66/331730366.db2.gz COSIGDORBQLHNC-AWEZNQCLSA-N 1 0 296.414 4.493 20 10 CICDRO C[C@@H]([NH2+]C[C@H]1CCO[C@H](C)C1)c1ccc2ccccc2c1O ZINC000273519221 334766611 /nfs/dbraw/zinc/76/66/11/334766611.db2.gz TXHMENRQOHXOJG-KFWWJZLASA-N 1 0 299.414 4.011 20 10 CICDRO C[C@@H]([NH2+][C@H]1CCc2cccc(O)c21)c1ccc(Cl)cc1 ZINC000296026911 334904973 /nfs/dbraw/zinc/90/49/73/334904973.db2.gz PXLRBLFCNPHLJO-ABAIWWIYSA-N 1 0 287.790 4.384 20 10 CICDRO CC(C)([NH2+]Cc1ccccc1O)c1ccc(Cl)cc1 ZINC000067011153 519324834 /nfs/dbraw/zinc/32/48/34/519324834.db2.gz LMTBTRZGAQYDNM-UHFFFAOYSA-N 1 0 275.779 4.071 20 10 CICDRO CC(C)[C@@H]([NH2+][C@H](C)c1ccccc1O)c1ccccc1 ZINC000036967784 519799720 /nfs/dbraw/zinc/79/97/20/519799720.db2.gz FDLKJSHSYAJUNE-RDTXWAMCSA-N 1 0 269.388 4.440 20 10 CICDRO CCOc1cccc(C[NH2+][C@@H](CC)c2ccccc2)c1O ZINC000051626378 521372066 /nfs/dbraw/zinc/37/20/66/521372066.db2.gz VHMKHYCCTWVLIV-INIZCTEOSA-N 1 0 285.387 4.032 20 10 CICDRO CC[C@H]([NH2+]Cc1ccc(C)s1)c1ccc(C)cc1O ZINC000279999600 522645006 /nfs/dbraw/zinc/64/50/06/522645006.db2.gz FVHNRXODYLQKFW-HNNXBMFYSA-N 1 0 275.417 4.311 20 10 CICDRO CC[C@H]([NH2+][C@@H]1CCCc2occc21)c1ccc(C)cc1O ZINC000280016711 522717912 /nfs/dbraw/zinc/71/79/12/522717912.db2.gz HCDBGONEWTYGBB-JKSUJKDBSA-N 1 0 285.387 4.412 20 10 CICDRO CC[C@@H]([NH2+][C@H](C)c1cc(OC)ccc1O)c1ccccc1 ZINC000051626362 522934523 /nfs/dbraw/zinc/93/45/23/522934523.db2.gz ZVDSTNPSTKSZDE-CXAGYDPISA-N 1 0 285.387 4.203 20 10 CICDRO C[C@@H]([NH2+]C1CCC(C(F)(F)F)CC1)c1ccccc1O ZINC000037092642 525396513 /nfs/dbraw/zinc/39/65/13/525396513.db2.gz INJBWWAMDOBUJQ-VOMCLLRMSA-N 1 0 287.325 4.164 20 10 CICDRO C[C@@H]([NH2+][C@@H]1CCCc2ccccc21)c1ccccc1O ZINC000020133556 525639863 /nfs/dbraw/zinc/63/98/63/525639863.db2.gz XCSJKTMVXOSLKM-CXAGYDPISA-N 1 0 267.372 4.120 20 10 CICDRO C[C@@H]([NH2+][C@@H]1CCCc2ccc(F)cc21)c1ccccc1O ZINC000281155590 525641677 /nfs/dbraw/zinc/64/16/77/525641677.db2.gz OVJJDFNDKMEABI-SJKOYZFVSA-N 1 0 285.362 4.260 20 10 CICDRO C[C@@H]([NH2+][C@@H]1CCSc2ccccc21)c1ccccc1O ZINC000037128139 525650956 /nfs/dbraw/zinc/65/09/56/525650956.db2.gz UHUJRJAAHLIXBL-IUODEOHRSA-N 1 0 285.412 4.280 20 10 CICDRO C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1O)c1ccc(F)cc1F ZINC000094617206 525658662 /nfs/dbraw/zinc/65/86/62/525658662.db2.gz CMDHUMJUPZQYIY-NXEZZACHSA-N 1 0 295.304 4.221 20 10 CICDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC(F)(F)C2)c(O)c1C ZINC000281082427 525728082 /nfs/dbraw/zinc/72/80/82/525728082.db2.gz JKMJJBUXLOUYLD-CHWSQXEVSA-N 1 0 283.362 4.095 20 10 CICDRO c1cc(C[NH2+]Cc2ccc(N3CCCCC3)cc2)cs1 ZINC000059639695 526428117 /nfs/dbraw/zinc/42/81/17/526428117.db2.gz ADRXVFZLNQAJRF-UHFFFAOYSA-N 1 0 286.444 4.028 20 10 CICDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccccc2Cl)c1 ZINC000035628576 260030765 /nfs/dbraw/zinc/03/07/65/260030765.db2.gz OLAIZMNFWHPOPJ-LBPRGKRZSA-N 1 0 275.779 4.205 20 10 CICDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(F)cc2F)c(O)c1 ZINC000036952677 260056633 /nfs/dbraw/zinc/05/66/33/260056633.db2.gz SLHDVZDBESMQJU-NWDGAFQWSA-N 1 0 291.341 4.391 20 10 CICDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2ccccc2C)c1 ZINC000020126246 171010512 /nfs/dbraw/zinc/01/05/12/171010512.db2.gz UYABPICDPPTNKV-UONOGXRCSA-N 1 0 285.387 4.121 20 10 CICDRO CC[C@H]([NH2+][C@H]1CCc2ccccc21)c1ccccc1O ZINC000020129898 171018671 /nfs/dbraw/zinc/01/86/71/171018671.db2.gz RYHZMVLVKVDJIM-IRXDYDNUSA-N 1 0 267.372 4.120 20 10 CICDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCc3occc32)c(O)c1 ZINC000020205083 171070843 /nfs/dbraw/zinc/07/08/43/171070843.db2.gz OOIJQEDHEQRZNO-WFASDCNBSA-N 1 0 271.360 4.022 20 10 CICDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(Cl)cc2)c(O)c1 ZINC000020209946 171074246 /nfs/dbraw/zinc/07/42/46/171074246.db2.gz MIMVUUJYIKNVRO-LBPRGKRZSA-N 1 0 275.779 4.205 20 10 CICDRO COc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000035628754 172307931 /nfs/dbraw/zinc/30/79/31/172307931.db2.gz WEVGYLZPEPYHMI-KGLIPLIRSA-N 1 0 285.387 4.121 20 10 CICDRO CC[C@@H]([NH2+][C@H]1CCCOc2ccccc21)c1ccccc1O ZINC000155514858 261103130 /nfs/dbraw/zinc/10/31/30/261103130.db2.gz ZPSLQOPKRTYIFB-SJORKVTESA-N 1 0 297.398 4.347 20 10 CICDRO CC[C@H]([NH2+][C@H]1CCCOc2ccccc21)c1ccccc1O ZINC000155514757 261103156 /nfs/dbraw/zinc/10/31/56/261103156.db2.gz ZPSLQOPKRTYIFB-IRXDYDNUSA-N 1 0 297.398 4.347 20 10 CICDRO CC[C@H]([NH2+][C@H](C)c1cccc(F)c1F)c1ccccc1O ZINC000156996004 261137155 /nfs/dbraw/zinc/13/71/55/261137155.db2.gz MYJHDWYMKVZESH-ABAIWWIYSA-N 1 0 291.341 4.472 20 10 CICDRO C[C@@H]([NH2+]Cc1ccc(C(F)F)cc1)c1ccccc1O ZINC000183988058 262003470 /nfs/dbraw/zinc/00/34/70/262003470.db2.gz YSCZAZIRQBFFIP-LLVKDONJSA-N 1 0 277.314 4.181 20 10 CICDRO C[C@H]([NH2+][C@@H]1CCCc2occc21)c1cc(Cl)ccc1O ZINC000184996642 262036817 /nfs/dbraw/zinc/03/68/17/262036817.db2.gz ZASBQNHWAPZHGZ-IINYFYTJSA-N 1 0 291.778 4.367 20 10 CICDRO C[C@@H]([NH2+][C@H]1CCc2cc(F)ccc21)c1cc(F)ccc1O ZINC000185216796 262045871 /nfs/dbraw/zinc/04/58/71/262045871.db2.gz RDRAMCUCCKABEI-HWPZZCPQSA-N 1 0 289.325 4.009 20 10 CICDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](c2ncccc2C)C(C)C)c1 ZINC000185457664 262055080 /nfs/dbraw/zinc/05/50/80/262055080.db2.gz WVHNDROKHSYFKS-MAUKXSAKSA-N 1 0 298.430 4.452 20 10 CICDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](c2ncccc2C)C(C)C)c1 ZINC000185457684 262055452 /nfs/dbraw/zinc/05/54/52/262055452.db2.gz WVHNDROKHSYFKS-QAPCUYQASA-N 1 0 298.430 4.452 20 10 CICDRO C[C@@H]([NH2+]C1(c2ccccc2F)CC1)c1cc(F)ccc1O ZINC000186322888 262088445 /nfs/dbraw/zinc/08/84/45/262088445.db2.gz IBLDUOJMWJOMPW-LLVKDONJSA-N 1 0 289.325 4.010 20 10 CICDRO Cc1ccc(O)c([C@H](C)[NH2+]C2(c3cccc(F)c3)CC2)c1 ZINC000186321544 262088661 /nfs/dbraw/zinc/08/86/61/262088661.db2.gz WOWWZADRFSALGO-ZDUSSCGKSA-N 1 0 285.362 4.180 20 10 CICDRO Cc1ccc(O)c([C@@H](C)[NH2+]C2(c3cccc(F)c3)CC2)c1 ZINC000186321531 262088730 /nfs/dbraw/zinc/08/87/30/262088730.db2.gz WOWWZADRFSALGO-CYBMUJFWSA-N 1 0 285.362 4.180 20 10 CICDRO Cc1cc(C[NH2+][C@H](C)c2ccccc2O)ccc1Cl ZINC000186757946 262108695 /nfs/dbraw/zinc/10/86/95/262108695.db2.gz YPBDJXOHZQUIEJ-GFCCVEGCSA-N 1 0 275.779 4.205 20 10 CICDRO CCOCCCC[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000185071328 262300959 /nfs/dbraw/zinc/30/09/59/262300959.db2.gz URRACEFGZDLTSF-AWEZNQCLSA-N 1 0 287.403 4.013 20 10 CICDRO CCSc1cccc(C[NH2+]Cc2cccc(C)c2O)c1 ZINC000292767391 263134863 /nfs/dbraw/zinc/13/48/63/263134863.db2.gz KCBUERZLCPNRKK-UHFFFAOYSA-N 1 0 287.428 4.102 20 10 CICDRO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2ccccc2O)ccc1F ZINC000272856679 328200973 /nfs/dbraw/zinc/20/09/73/328200973.db2.gz MBKKUJOBMZGGIX-OLZOCXBDSA-N 1 0 273.351 4.252 20 10 CICDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H](C)c1cc(C)ccn1 ZINC000560536057 327320910 /nfs/dbraw/zinc/32/09/10/327320910.db2.gz HSHCNTDLLXDKMO-OAHLLOKOSA-N 1 0 293.414 4.041 20 10 CICDRO CC[C@H](c1ccccc1O)[N@@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000377654346 329023087 /nfs/dbraw/zinc/02/30/87/329023087.db2.gz TYSKDNSNWDKBSS-QZTJIDSGSA-N 1 0 296.414 4.384 20 10 CICDRO CCCO[C@H]1CCC[N@@H+]([C@H](CC)c2ccccc2O)CC1 ZINC000377654871 329023109 /nfs/dbraw/zinc/02/31/09/329023109.db2.gz UZLAMHMJAPOEAP-DOTOQJQBSA-N 1 0 291.435 4.124 20 10 CICDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCOc3c(C)cccc32)c1 ZINC000189374951 329380438 /nfs/dbraw/zinc/38/04/38/329380438.db2.gz FVWAKNNROARKIW-WMLDXEAASA-N 1 0 297.398 4.183 20 10 CICDRO Oc1cccc2c1[C@H]([NH2+][C@@H]1CCc3cc(Cl)ccc31)CC2 ZINC000527995164 330299454 /nfs/dbraw/zinc/29/94/54/330299454.db2.gz ULKHJXFUJQPTHB-HZPDHXFCSA-N 1 0 299.801 4.310 20 10 CICDRO C[C@H]([NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C)c1ccc2ccccc2c1O ZINC000528003512 330300288 /nfs/dbraw/zinc/30/02/88/330300288.db2.gz OSCBUGDNDDLNKK-MTVAPTMQSA-N 1 0 299.414 4.008 20 10 CICDRO Cc1c2ccccc2n(C)c1CNc1cc(C)cc(C)[nH+]1 ZINC000490068936 332079789 /nfs/dbraw/zinc/07/97/89/332079789.db2.gz UWMKDVHDYHSFCK-UHFFFAOYSA-N 1 0 279.387 4.111 20 10 CICDRO Cc1cccc(C[NH2+][C@H]2CCc3cc(Cl)ccc32)c1O ZINC000529666075 333504456 /nfs/dbraw/zinc/50/44/56/333504456.db2.gz PSKVYWKWCFLTSL-INIZCTEOSA-N 1 0 287.790 4.131 20 10 CICDRO CC(C)[C@@H]([NH2+][C@@H](C)c1ccccc1O)c1ccccc1 ZINC000036967780 519799658 /nfs/dbraw/zinc/79/96/58/519799658.db2.gz FDLKJSHSYAJUNE-KBXCAEBGSA-N 1 0 269.388 4.440 20 10 CICDRO CC(C)[C@H]([NH2+][C@@H](C)c1ccccc1O)c1ccccc1 ZINC000036967778 519821427 /nfs/dbraw/zinc/82/14/27/519821427.db2.gz FDLKJSHSYAJUNE-KSSFIOAISA-N 1 0 269.388 4.440 20 10 CICDRO CC[C@H]([NH2+]C[C@@H](C)c1nccs1)c1ccc(C)cc1O ZINC000279977658 522609057 /nfs/dbraw/zinc/60/90/57/522609057.db2.gz DJBPRQSENTZEDU-OCCSQVGLSA-N 1 0 290.432 4.002 20 10 CICDRO CC[C@@H]([NH2+][C@@H](C)c1ccccc1O)c1ccc(OC)cc1 ZINC000037067446 522914312 /nfs/dbraw/zinc/91/43/12/522914312.db2.gz NVDFVPODSFAUPP-SUMWQHHRSA-N 1 0 285.387 4.203 20 10 CICDRO C[C@H]([NH2+]C1CCC(C(F)(F)F)CC1)c1ccccc1O ZINC000037092641 525290030 /nfs/dbraw/zinc/29/00/30/525290030.db2.gz INJBWWAMDOBUJQ-UNXYVOJBSA-N 1 0 287.325 4.164 20 10 CICDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(Cl)c2)c(O)c1 ZINC000053148099 525733004 /nfs/dbraw/zinc/73/30/04/525733004.db2.gz SRPLWBZYVJWVQS-GFCCVEGCSA-N 1 0 275.779 4.205 20 10 CICDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccccc2O)s1 ZINC000049158067 525742249 /nfs/dbraw/zinc/74/22/49/525742249.db2.gz WTPKZSOCSJZRMW-NWDGAFQWSA-N 1 0 261.390 4.174 20 10 CICDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCc3sccc32)c(O)c1 ZINC000061359907 525744815 /nfs/dbraw/zinc/74/48/15/525744815.db2.gz YBRMCQQWTUCBTA-IUODEOHRSA-N 1 0 287.428 4.490 20 10 CICDRO c1cc(N2CCCCC2)ccc1C[NH2+]C1CCCCCC1 ZINC000019999042 136579738 /nfs/dbraw/zinc/57/97/38/136579738.db2.gz RYBKSNUVPGPWDX-UHFFFAOYSA-N 1 0 286.463 4.489 20 10 CICDRO C[C@H]([NH2+]C1CCCC1)c1ccc2ccccc2c1O ZINC000019883430 170908667 /nfs/dbraw/zinc/90/86/67/170908667.db2.gz WXKQASHJEPJUTC-LBPRGKRZSA-N 1 0 255.361 4.139 20 10 CICDRO Cc1ccc([C@@H](C)[NH2+]CCCOC2CCCCC2)c(O)c1 ZINC000020191604 171057437 /nfs/dbraw/zinc/05/74/37/171057437.db2.gz QTEVKEBPWIYVCR-OAHLLOKOSA-N 1 0 291.435 4.091 20 10 CICDRO CC(C)OCCC[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000020198008 171061607 /nfs/dbraw/zinc/06/16/07/171061607.db2.gz BTDWZSGOOHCPOB-CQSZACIVSA-N 1 0 287.403 4.011 20 10 CICDRO Cc1ccc(C)c([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2)c1 ZINC000021520181 171315566 /nfs/dbraw/zinc/31/55/66/171315566.db2.gz NGQJQDWWFHZKKI-MRXNPFEDSA-N 1 0 282.431 4.220 20 10 CICDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2ccccc2)c1 ZINC000035628464 172307455 /nfs/dbraw/zinc/30/74/55/172307455.db2.gz ZKZYKPRHAHIVTE-KGLIPLIRSA-N 1 0 255.361 4.112 20 10 CICDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc(Cl)cc1 ZINC000037362743 173152011 /nfs/dbraw/zinc/15/20/11/173152011.db2.gz ZQXIBVCCOQXVSN-GFCCVEGCSA-N 1 0 287.790 4.126 20 10 CICDRO COc1cccc([C@H](C)[NH2+][C@H](C)c2ccc(C)cc2O)c1 ZINC000037771617 260116305 /nfs/dbraw/zinc/11/63/05/260116305.db2.gz PVQVGIGFLOSUSQ-UONOGXRCSA-N 1 0 285.387 4.121 20 10 CICDRO CC[C@@H]([NH2+][C@H]1CCc2cc(F)ccc21)c1ccccc1O ZINC000155420985 261101442 /nfs/dbraw/zinc/10/14/42/261101442.db2.gz KMDJSAISCMQDDO-SJORKVTESA-N 1 0 285.362 4.260 20 10 CICDRO C[C@@H]([NH2+]Cc1ccccc1OCC1CC1)c1ccccc1O ZINC000183524091 261978845 /nfs/dbraw/zinc/97/88/45/261978845.db2.gz OKHVBWOWTDIXMC-CQSZACIVSA-N 1 0 297.398 4.032 20 10 CICDRO C[C@@H]([NH2+]C1(c2ccccc2)CCC1)c1ccccc1O ZINC000183653363 261984356 /nfs/dbraw/zinc/98/43/56/261984356.db2.gz ZDMYOVUWHRXNNV-CQSZACIVSA-N 1 0 267.372 4.122 20 10 CICDRO C[C@H]([NH2+]CCC[C@@H]1CCCCO1)c1cc(Cl)ccc1O ZINC000184000208 262004366 /nfs/dbraw/zinc/00/43/66/262004366.db2.gz GEHRBJVAKNZNPG-JSGCOSHPSA-N 1 0 297.826 4.046 20 10 CICDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCc3cc(F)ccc32)c(O)c1 ZINC000185216590 262046323 /nfs/dbraw/zinc/04/63/23/262046323.db2.gz PDHFDKSXFYRESS-PXAZEXFGSA-N 1 0 285.362 4.178 20 10 CICDRO COCCCCC[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000185233123 262302479 /nfs/dbraw/zinc/30/24/79/262302479.db2.gz YMIAVEOSDUYZRL-CQSZACIVSA-N 1 0 287.403 4.013 20 10 CICDRO Cc1ccsc1C[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000293607266 263144386 /nfs/dbraw/zinc/14/43/86/263144386.db2.gz GJDLSSNBKZZOGF-CYBMUJFWSA-N 1 0 275.417 4.230 20 10 CICDRO COCc1cccc(C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)c1 ZINC000293870241 263151323 /nfs/dbraw/zinc/15/13/23/263151323.db2.gz UVOJQEWPJLXFBE-HNNXBMFYSA-N 1 0 299.414 4.006 20 10 CICDRO CC[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)c1ccncc1 ZINC000185540807 327840433 /nfs/dbraw/zinc/84/04/33/327840433.db2.gz PBBKVQSNINTHEC-XHDPSFHLSA-N 1 0 290.794 4.243 20 10 CICDRO COc1ccc([C@H](C)[NH2+][C@@H](C)c2cc(C)ccc2O)cc1 ZINC000090339565 327094040 /nfs/dbraw/zinc/09/40/40/327094040.db2.gz FSBWCVPWQAQNBE-KBPBESRZSA-N 1 0 285.387 4.121 20 10 CICDRO CC[C@H]([NH2+][C@H](C)c1ccc(OC)cc1)c1ccccc1O ZINC000090339843 327094391 /nfs/dbraw/zinc/09/43/91/327094391.db2.gz PJAXJRLOSRUEFS-DYVFJYSZSA-N 1 0 285.387 4.203 20 10 CICDRO Cc1cc(C)c2c(c1)[C@H]([NH2+][C@@H](C)c1ccccc1O)CCO2 ZINC000378634309 329057228 /nfs/dbraw/zinc/05/72/28/329057228.db2.gz CBIGEDJJOWREQI-WMLDXEAASA-N 1 0 297.398 4.183 20 10 CICDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCOc3c(C)cccc32)c(O)c1 ZINC000189367630 329380443 /nfs/dbraw/zinc/38/04/43/329380443.db2.gz VJDNLXRJVKPIFZ-WMLDXEAASA-N 1 0 297.398 4.183 20 10 CICDRO Cc1cccc([C@@H]([NH2+]Cc2ccccc2O)C(C)C)c1 ZINC000527813541 330285043 /nfs/dbraw/zinc/28/50/43/330285043.db2.gz MIAGQVSUZIWYPC-SFHVURJKSA-N 1 0 269.388 4.188 20 10 CICDRO Clc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccc2c(c1)CCO2 ZINC000067501574 333638484 /nfs/dbraw/zinc/63/84/84/333638484.db2.gz SUFZYVPCIZEDAK-KRWDZBQOSA-N 1 0 299.801 4.052 20 10 CICDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1CC=C(C)CC1 ZINC000556241605 334502915 /nfs/dbraw/zinc/50/29/15/334502915.db2.gz NXBLTYDCVBIYHN-OAHLLOKOSA-N 1 0 268.404 4.075 20 10 CICDRO CC[C@H]([NH2+][C@@H](C)c1ccccc1O)c1ccc(OC)cc1 ZINC000037067444 522697919 /nfs/dbraw/zinc/69/79/19/522697919.db2.gz NVDFVPODSFAUPP-GUYCJALGSA-N 1 0 285.387 4.203 20 10 CICDRO CC[C@@H]([NH2+]Cc1ccccc1F)c1ccc(C)cc1O ZINC000280272524 522882918 /nfs/dbraw/zinc/88/29/18/522882918.db2.gz XZBHQJCSWZUKCO-MRXNPFEDSA-N 1 0 273.351 4.081 20 10 CICDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)c1ccccc1O ZINC000036953105 522912561 /nfs/dbraw/zinc/91/25/61/522912561.db2.gz YWFPEYXAIBYPRT-MEDUHNTESA-N 1 0 291.341 4.472 20 10 CICDRO CC[C@@H]([NH2+][C@H]1CCCc2occc21)c1ccc(C)cc1O ZINC000280016699 522948973 /nfs/dbraw/zinc/94/89/73/522948973.db2.gz HCDBGONEWTYGBB-CVEARBPZSA-N 1 0 285.387 4.412 20 10 CICDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2cc(F)ccc2F)c(O)c1 ZINC000293674187 524331693 /nfs/dbraw/zinc/33/16/93/524331693.db2.gz JYMXOKLTNOKEJJ-GFCCVEGCSA-N 1 0 291.341 4.138 20 10 CICDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCc3sccc32)c1 ZINC000061360001 525361361 /nfs/dbraw/zinc/36/13/61/525361361.db2.gz DJOXINOMIUJALQ-IUODEOHRSA-N 1 0 287.428 4.490 20 10 CICDRO C[C@H]([NH2+]Cc1ccccc1O)c1ccc(C(F)(F)F)cc1 ZINC000037086724 525462134 /nfs/dbraw/zinc/46/21/34/525462134.db2.gz GCRQUMXJGUZHLA-NSHDSACASA-N 1 0 295.304 4.262 20 10 CICDRO C[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1ccsc1 ZINC000061361506 525526237 /nfs/dbraw/zinc/52/62/37/525526237.db2.gz VOQPCOMPABWSHU-CQSZACIVSA-N 1 0 286.444 4.199 20 10 CICDRO C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1ccc(F)cc1F ZINC000094617203 525529755 /nfs/dbraw/zinc/52/97/55/525529755.db2.gz CMDHUMJUPZQYIY-UWVGGRQHSA-N 1 0 295.304 4.221 20 10 CICDRO C[C@@H]([NH2+]Cc1ccccc1O)c1cccc(C(F)(F)F)c1 ZINC000037074187 525537577 /nfs/dbraw/zinc/53/75/77/525537577.db2.gz LMRLWEBMFOGDQP-LLVKDONJSA-N 1 0 295.304 4.262 20 10 CICDRO C[C@H]([NH2+][C@H](c1ccccc1)C1CC1)c1cc(F)ccc1O ZINC000094617413 525598132 /nfs/dbraw/zinc/59/81/32/525598132.db2.gz MCKPTFUHOHEYJH-KPZWWZAWSA-N 1 0 285.362 4.333 20 10 CICDRO C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1F)c1cc(F)ccc1O ZINC000094617670 525604068 /nfs/dbraw/zinc/60/40/68/525604068.db2.gz FVBTUDUKBZMODC-ZJUUUORDSA-N 1 0 295.304 4.221 20 10 CICDRO C[C@@H]([NH2+][C@@H](c1ccccc1)C1CC1)c1ccccc1O ZINC000037075384 525629241 /nfs/dbraw/zinc/62/92/41/525629241.db2.gz IJEIHKTWFRKNSO-ACJLOTCBSA-N 1 0 267.372 4.194 20 10 CICDRO C[C@@H]([NH2+][C@@H]1CCCc2sccc21)c1ccccc1O ZINC000061359862 525641633 /nfs/dbraw/zinc/64/16/33/525641633.db2.gz SQGRMDYHTWHHAR-BXUZGUMPSA-N 1 0 273.401 4.182 20 10 CICDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H]2c2cccs2)cc1C ZINC000007143270 170268580 /nfs/dbraw/zinc/26/85/80/170268580.db2.gz WEQZHBQOYCDTJP-OAHLLOKOSA-N 1 0 287.428 4.408 20 10 CICDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cccc(Cl)c1 ZINC000020124149 171006082 /nfs/dbraw/zinc/00/60/82/171006082.db2.gz FWYSDXVRQMLYAX-ZDUSSCGKSA-N 1 0 288.822 4.257 20 10 CICDRO COc1ccccc1[C@H](C)[NH2+][C@H](C)c1cc(C)ccc1O ZINC000035628751 172308014 /nfs/dbraw/zinc/30/80/14/172308014.db2.gz WEVGYLZPEPYHMI-UONOGXRCSA-N 1 0 285.387 4.121 20 10 CICDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(Cl)cc2)c1 ZINC000035628970 172308919 /nfs/dbraw/zinc/30/89/19/172308919.db2.gz ZYXVRJQMNVTKEX-LBPRGKRZSA-N 1 0 275.779 4.205 20 10 CICDRO COc1cccc([C@@H](C)[NH2+][C@H](C)c2ccc(C)cc2O)c1 ZINC000037771619 260116401 /nfs/dbraw/zinc/11/64/01/260116401.db2.gz PVQVGIGFLOSUSQ-ZIAGYGMSSA-N 1 0 285.387 4.121 20 10 CICDRO CC[C@H]([NH2+][C@H]1CCc2cc(F)ccc21)c1ccccc1O ZINC000155420880 261101641 /nfs/dbraw/zinc/10/16/41/261101641.db2.gz KMDJSAISCMQDDO-IRXDYDNUSA-N 1 0 285.362 4.260 20 10 CICDRO CC[C@@H]([NH2+][C@@H]1CCCOc2ccccc21)c1ccccc1O ZINC000155514653 261103050 /nfs/dbraw/zinc/10/30/50/261103050.db2.gz ZPSLQOPKRTYIFB-IAGOWNOFSA-N 1 0 297.398 4.347 20 10 CICDRO CC[C@H]([NH2+]Cc1nc(C(C)C)cs1)c1ccccc1O ZINC000156396194 261122205 /nfs/dbraw/zinc/12/22/05/261122205.db2.gz NTOIHAOVVMSOFX-ZDUSSCGKSA-N 1 0 290.432 4.213 20 10 CICDRO CC[C@@H]([NH2+]Cc1nc(C(C)C)cs1)c1ccccc1O ZINC000156396318 261122274 /nfs/dbraw/zinc/12/22/74/261122274.db2.gz NTOIHAOVVMSOFX-CYBMUJFWSA-N 1 0 290.432 4.213 20 10 CICDRO CC[C@H]([NH2+]C[C@H](C)c1nc(C)cs1)c1ccccc1O ZINC000158092381 261158458 /nfs/dbraw/zinc/15/84/58/261158458.db2.gz HWFBMWLBUHCFQT-FZMZJTMJSA-N 1 0 290.432 4.002 20 10 CICDRO CC[C@@H]([NH2+]C[C@@H](C)c1ncc(C)s1)c1ccccc1O ZINC000158101678 261158468 /nfs/dbraw/zinc/15/84/68/261158468.db2.gz WFYALGSNCAIKRC-BXUZGUMPSA-N 1 0 290.432 4.002 20 10 CICDRO Cc1ccc(O)c(C[NH2+][C@@H](c2ccco2)c2ccccc2)c1 ZINC000103855462 261335969 /nfs/dbraw/zinc/33/59/69/261335969.db2.gz LPQRWBCYXRELOS-LJQANCHMSA-N 1 0 293.366 4.173 20 10 CICDRO Cc1cccnc1[C@@H]([NH2+][C@@H](C)c1ccccc1O)C(C)C ZINC000183514315 261978004 /nfs/dbraw/zinc/97/80/04/261978004.db2.gz ONLCJERRKVOFRI-YOEHRIQHSA-N 1 0 284.403 4.144 20 10 CICDRO C[C@@H]([NH2+][C@H](C)c1cc2c(cc1O)CCCC2)c1ccccn1 ZINC000184845876 262031029 /nfs/dbraw/zinc/03/10/29/262031029.db2.gz OOUDDZBEMAAOMH-ZIAGYGMSSA-N 1 0 296.414 4.078 20 10 CICDRO C[C@H]([NH2+][C@H]1CCCc2occc21)c1cc(Cl)ccc1O ZINC000184996684 262036782 /nfs/dbraw/zinc/03/67/82/262036782.db2.gz ZASBQNHWAPZHGZ-HZMBPMFUSA-N 1 0 291.778 4.367 20 10 CICDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCOc3ccccc32)c1 ZINC000185270404 262048261 /nfs/dbraw/zinc/04/82/61/262048261.db2.gz XXOMEMKQABBSFT-YOEHRIQHSA-N 1 0 297.398 4.265 20 10 CICDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](c2ncccc2C)C(C)C)c1 ZINC000185457703 262054998 /nfs/dbraw/zinc/05/49/98/262054998.db2.gz WVHNDROKHSYFKS-YJBOKZPZSA-N 1 0 298.430 4.452 20 10 CICDRO C[C@H]([NH2+][C@@H](C)c1cccc(F)c1F)c1cc(F)ccc1O ZINC000186208386 262084313 /nfs/dbraw/zinc/08/43/13/262084313.db2.gz YYUAHAUJCQYNNQ-UWVGGRQHSA-N 1 0 295.304 4.221 20 10 CICDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2cccc(F)c2F)c(O)c1 ZINC000186208215 262084683 /nfs/dbraw/zinc/08/46/83/262084683.db2.gz ICMDZIDZDYHCDP-NWDGAFQWSA-N 1 0 291.341 4.391 20 10 CICDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2cccc(F)c2F)c1 ZINC000186207750 262084820 /nfs/dbraw/zinc/08/48/20/262084820.db2.gz XVWSGVZLMSARCR-NWDGAFQWSA-N 1 0 291.341 4.391 20 10 CICDRO C[C@@H]([NH2+]C1(c2cccc(F)c2)CC1)c1cc(F)ccc1O ZINC000186321917 262089040 /nfs/dbraw/zinc/08/90/40/262089040.db2.gz CARDYAVNYXEJFX-LLVKDONJSA-N 1 0 289.325 4.010 20 10 CICDRO CCOCCCC[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000185071346 262300638 /nfs/dbraw/zinc/30/06/38/262300638.db2.gz URRACEFGZDLTSF-CQSZACIVSA-N 1 0 287.403 4.013 20 10 CICDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCc3occc32)c(O)c1C ZINC000273417069 263016697 /nfs/dbraw/zinc/01/66/97/263016697.db2.gz RAPIDZAQZCEWBQ-XJKSGUPXSA-N 1 0 285.387 4.330 20 10 CICDRO COCc1cccc(C[NH2+][C@H](C)c2c(C)cc(C)cc2O)c1 ZINC000293870247 263151181 /nfs/dbraw/zinc/15/11/81/263151181.db2.gz UVOJQEWPJLXFBE-OAHLLOKOSA-N 1 0 299.414 4.006 20 10 CICDRO CCCO[C@@H]1CCC[N@@H+]([C@@H](CC)c2ccccc2O)CC1 ZINC000377654874 329023057 /nfs/dbraw/zinc/02/30/57/329023057.db2.gz UZLAMHMJAPOEAP-WBVHZDCISA-N 1 0 291.435 4.124 20 10 CICDRO Cc1cc(C)c2c(c1)[C@@H]([NH2+][C@@H](C)c1ccccc1O)CCO2 ZINC000378634310 329057175 /nfs/dbraw/zinc/05/71/75/329057175.db2.gz CBIGEDJJOWREQI-YOEHRIQHSA-N 1 0 297.398 4.183 20 10 CICDRO Cc1cc(C)c2c(c1)[C@@H]([NH2+][C@H](C)c1ccccc1O)CCO2 ZINC000378634307 329057246 /nfs/dbraw/zinc/05/72/46/329057246.db2.gz CBIGEDJJOWREQI-PBHICJAKSA-N 1 0 297.398 4.183 20 10 CICDRO CCOCc1ccccc1C[NH2+][C@H](C)c1cc(C)ccc1O ZINC000193892184 329062579 /nfs/dbraw/zinc/06/25/79/329062579.db2.gz WPQLBZFJIJUUNC-OAHLLOKOSA-N 1 0 299.414 4.088 20 10 CICDRO CCOCc1ccccc1C[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000193892166 329062609 /nfs/dbraw/zinc/06/26/09/329062609.db2.gz WPQLBZFJIJUUNC-HNNXBMFYSA-N 1 0 299.414 4.088 20 10 CICDRO Cc1cc(O)c(C[NH2+][C@@H](c2ccccn2)C2CCC2)cc1C ZINC000527773768 330282260 /nfs/dbraw/zinc/28/22/60/330282260.db2.gz QRDKSUHZKNQTAU-LJQANCHMSA-N 1 0 296.414 4.035 20 10 CICDRO C[C@H]([NH2+]CC[C@@H]1CCCOC1)c1ccc2ccccc2c1O ZINC000527935169 330297954 /nfs/dbraw/zinc/29/79/54/330297954.db2.gz YAKSBAZQTDZVHV-GJZGRUSLSA-N 1 0 299.414 4.013 20 10 CICDRO Cc1ccc([C@@H](C)[NH2+][C@@H](c2ccccn2)C2CCC2)c(O)c1 ZINC000527968545 330301444 /nfs/dbraw/zinc/30/14/44/330301444.db2.gz RXZWEFKOYCJFHQ-AUUYWEPGSA-N 1 0 296.414 4.288 20 10 CICDRO CC[C@@H]([NH2+]Cc1c(C)c2ccccc2n1C)c1ccncc1 ZINC000453233958 331104858 /nfs/dbraw/zinc/10/48/58/331104858.db2.gz XZKRFPUSMDCTBI-QGZVFWFLSA-N 1 0 293.414 4.123 20 10 CICDRO CCOc1cccc(C[NH2+][C@H](CC)c2ccccc2O)c1 ZINC000037679407 521375475 /nfs/dbraw/zinc/37/54/75/521375475.db2.gz TVZPJUISZSIFCS-QGZVFWFLSA-N 1 0 285.387 4.032 20 10 CICDRO CC[C@H]([NH2+]Cc1cccs1)c1ccc(C)cc1O ZINC000279968278 522660157 /nfs/dbraw/zinc/66/01/57/522660157.db2.gz CVFPDPDFJCCILS-AWEZNQCLSA-N 1 0 261.390 4.003 20 10 CICDRO CC[C@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)c1ccccc1O ZINC000036953104 522694468 /nfs/dbraw/zinc/69/44/68/522694468.db2.gz YWFPEYXAIBYPRT-ZBEGNZNMSA-N 1 0 291.341 4.472 20 10 CICDRO CC[C@H]([NH2+][C@H](C)c1ccccc1O)c1ccc(OC)cc1 ZINC000037067448 522741612 /nfs/dbraw/zinc/74/16/12/522741612.db2.gz NVDFVPODSFAUPP-DYVFJYSZSA-N 1 0 285.387 4.203 20 10 CICDRO CC[C@@H]([NH2+]Cc1ccc(F)cc1)c1ccc(C)cc1O ZINC000280108493 522874490 /nfs/dbraw/zinc/87/44/90/522874490.db2.gz NMIXPPHLXASVGF-MRXNPFEDSA-N 1 0 273.351 4.081 20 10 CICDRO CC[C@@H]([NH2+]Cc1cccc(F)c1)c1ccc(C)cc1O ZINC000279985257 522882071 /nfs/dbraw/zinc/88/20/71/522882071.db2.gz DXZRLTGWGVYEMC-MRXNPFEDSA-N 1 0 273.351 4.081 20 10 CICDRO CC[C@@H]([NH2+]Cc1sc(C)nc1C)c1ccc(C)cc1O ZINC000279935405 522898875 /nfs/dbraw/zinc/89/88/75/522898875.db2.gz AYGNLNNZXUUMCI-CQSZACIVSA-N 1 0 290.432 4.015 20 10 CICDRO CC[C@@H]([NH2+][C@@H](C)c1cc(OC)ccc1O)c1ccccc1 ZINC000051626359 522911037 /nfs/dbraw/zinc/91/10/37/522911037.db2.gz ZVDSTNPSTKSZDE-SUMWQHHRSA-N 1 0 285.387 4.203 20 10 CICDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(C)c(C)c1O)c1ccncc1 ZINC000273608534 522912303 /nfs/dbraw/zinc/91/23/03/522912303.db2.gz UYPQTGVRFLIISF-WMLDXEAASA-N 1 0 284.403 4.206 20 10 CICDRO CC[C@@H]([NH2+][C@@H](CC)c1ccc(C)cc1O)c1ccncc1 ZINC000280097380 522919318 /nfs/dbraw/zinc/91/93/18/522919318.db2.gz MVJFUAOCONVKBX-SJORKVTESA-N 1 0 284.403 4.288 20 10 CICDRO CC[C@@H]([NH2+][C@H](COC)c1ccccc1)c1ccc(C)cc1O ZINC000279970054 522945593 /nfs/dbraw/zinc/94/55/93/522945593.db2.gz CWWPWHYXYONZOS-QZTJIDSGSA-N 1 0 299.414 4.129 20 10 CICDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCc3ccccc32)c1 ZINC000120512820 524774368 /nfs/dbraw/zinc/77/43/68/524774368.db2.gz HATUPEMSPJXCRZ-SCLBCKFNSA-N 1 0 297.398 4.129 20 10 CICDRO C[C@H]([NH2+]C1CC(F)(F)C1)c1ccc(N2CCCCC2)cc1 ZINC000277083246 525287942 /nfs/dbraw/zinc/28/79/42/525287942.db2.gz JVGJJAUDLWSZIA-ZDUSSCGKSA-N 1 0 294.389 4.125 20 10 CICDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(C(C)(F)F)cc2)c1 ZINC000293002964 525349739 /nfs/dbraw/zinc/34/97/39/525349739.db2.gz PBCBZXUSNJECRJ-UHFFFAOYSA-N 1 0 291.341 4.102 20 10 CICDRO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2ccccc2O)c(C)s1 ZINC000037123057 525471837 /nfs/dbraw/zinc/47/18/37/525471837.db2.gz SOBRCQNLHITGNZ-NWDGAFQWSA-N 1 0 275.417 4.482 20 10 CICDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCC(F)(F)C2)c(O)c1C ZINC000281082430 525731207 /nfs/dbraw/zinc/73/12/07/525731207.db2.gz JKMJJBUXLOUYLD-OLZOCXBDSA-N 1 0 283.362 4.095 20 10 CICDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccccc2O)s1 ZINC000049158075 525746291 /nfs/dbraw/zinc/74/62/91/525746291.db2.gz WTPKZSOCSJZRMW-VXGBXAGGSA-N 1 0 261.390 4.174 20 10 CICDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccccc2O)s1 ZINC000049158070 525935744 /nfs/dbraw/zinc/93/57/44/525935744.db2.gz WTPKZSOCSJZRMW-RYUDHWBXSA-N 1 0 261.390 4.174 20 10 CICDRO Cc1ccccc1[C@@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000020126170 171010000 /nfs/dbraw/zinc/01/00/00/171010000.db2.gz IHGHBKINRDQWIQ-ZIAGYGMSSA-N 1 0 255.361 4.112 20 10 CICDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCCc3occc32)c1 ZINC000035628963 172307819 /nfs/dbraw/zinc/30/78/19/172307819.db2.gz PTRLUOVXMQBQNC-DOMZBBRYSA-N 1 0 271.360 4.022 20 10 CICDRO CC[C@@H]([NH2+][C@H](C)c1ccc(F)cc1F)c1ccccc1O ZINC000036952765 260056014 /nfs/dbraw/zinc/05/60/14/260056014.db2.gz NYOATOPZPHOLSW-BDJLRTHQSA-N 1 0 291.341 4.472 20 10 CICDRO COc1cccc([C@H](C)[NH2+][C@@H](C)c2ccc(C)cc2O)c1 ZINC000037771618 260116406 /nfs/dbraw/zinc/11/64/06/260116406.db2.gz PVQVGIGFLOSUSQ-KBPBESRZSA-N 1 0 285.387 4.121 20 10 CICDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2cccs2)cc1 ZINC000156496717 261124510 /nfs/dbraw/zinc/12/45/10/261124510.db2.gz MFLBSXVONPELGC-ZDUSSCGKSA-N 1 0 274.433 4.055 20 10 CICDRO CC[C@@H]([NH2+]C[C@H](C)c1ncc(C)s1)c1ccccc1O ZINC000158101963 261158438 /nfs/dbraw/zinc/15/84/38/261158438.db2.gz WFYALGSNCAIKRC-SMDDNHRTSA-N 1 0 290.432 4.002 20 10 CICDRO CC[C@@H]([NH2+][C@@H](CC)c1ccncc1)c1ccc(N(C)C)cc1 ZINC000163713131 261326352 /nfs/dbraw/zinc/32/63/52/261326352.db2.gz YKTHBQXGAMNPJV-MOPGFXCFSA-N 1 0 297.446 4.340 20 10 CICDRO C[C@H]([NH2+]CCCCOCc1ccccc1)c1ccccc1O ZINC000183473219 261492427 /nfs/dbraw/zinc/49/24/27/261492427.db2.gz KYDSLJWOOZXCOS-INIZCTEOSA-N 1 0 299.414 4.040 20 10 CICDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCc3cc(F)ccc32)c1 ZINC000185216241 262045840 /nfs/dbraw/zinc/04/58/40/262045840.db2.gz BYQCADSBPIHNGE-SJCJKPOMSA-N 1 0 285.362 4.178 20 10 CICDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCCOc3ccccc32)c1 ZINC000185270388 262048522 /nfs/dbraw/zinc/04/85/22/262048522.db2.gz XXOMEMKQABBSFT-PBHICJAKSA-N 1 0 297.398 4.265 20 10 CICDRO C[C@@H]([NH2+][C@@H](C)C1CCOCC1)c1ccc2ccccc2c1O ZINC000185782791 262308581 /nfs/dbraw/zinc/30/85/81/262308581.db2.gz QAYCDYNMEZBPLU-UONOGXRCSA-N 1 0 299.414 4.011 20 10 CICDRO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2Cl)c1ccccc1O ZINC000179904285 327803846 /nfs/dbraw/zinc/80/38/46/327803846.db2.gz UGRADPCWYNKSJT-BDJLRTHQSA-N 1 0 287.790 4.384 20 10 CICDRO CC(C)([NH2+]Cc1ccccc1O)c1cccc(Cl)c1 ZINC000119374390 327331859 /nfs/dbraw/zinc/33/18/59/327331859.db2.gz WCQJMFQKYDWGQJ-UHFFFAOYSA-N 1 0 275.779 4.071 20 10 CICDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000377689258 329024953 /nfs/dbraw/zinc/02/49/53/329024953.db2.gz DGVTWGCRJOGTQD-IRXDYDNUSA-N 1 0 282.387 4.075 20 10 CICDRO Cc1cc(C[N@H+](Cc2ccccc2O)C2CCCC2)ccn1 ZINC000527534032 330262797 /nfs/dbraw/zinc/26/27/97/330262797.db2.gz LAPUMFMJDNYBHU-UHFFFAOYSA-N 1 0 296.414 4.040 20 10 CICDRO CC[C@@H]([NH2+][C@H](c1ccccn1)C1CCC1)c1ccccc1O ZINC000527962699 330300726 /nfs/dbraw/zinc/30/07/26/330300726.db2.gz HOXMQYORIZXXAP-APWZRJJASA-N 1 0 296.414 4.369 20 10 CICDRO CC[C@@H]([NH2+][C@@H](c1ccccn1)C1CCC1)c1ccccc1O ZINC000527962705 330300756 /nfs/dbraw/zinc/30/07/56/330300756.db2.gz HOXMQYORIZXXAP-VQIMIIECSA-N 1 0 296.414 4.369 20 10 CICDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H](C)c1cnccc1C ZINC000479447672 331730396 /nfs/dbraw/zinc/73/03/96/331730396.db2.gz CGVBITQFZPBEID-OAHLLOKOSA-N 1 0 293.414 4.041 20 10 CICDRO CC[C@H]([NH2+]Cc1ccccc1F)c1ccc(C)cc1O ZINC000280272523 522655855 /nfs/dbraw/zinc/65/58/55/522655855.db2.gz XZBHQJCSWZUKCO-INIZCTEOSA-N 1 0 273.351 4.081 20 10 CICDRO CC[C@H]([NH2+][C@H]1CCO[C@H](C(C)(C)C)C1)c1ccccc1O ZINC000274805857 522755757 /nfs/dbraw/zinc/75/57/57/522755757.db2.gz WPEJAVVHUKUMTO-QRTARXTBSA-N 1 0 291.435 4.027 20 10 CICDRO CC[C@@H]([NH2+][C@H]1CCc2c1cccc2O)c1ccc(C)cc1O ZINC000280153956 522951768 /nfs/dbraw/zinc/95/17/68/522951768.db2.gz QHGSVXHHQDAXGF-SJORKVTESA-N 1 0 297.398 4.134 20 10 CICDRO COc1ccc(C[NH2+]Cc2ccc(C(F)F)cc2)cc1C ZINC000274218185 524072858 /nfs/dbraw/zinc/07/28/58/524072858.db2.gz YHMNOLVQGGAABD-UHFFFAOYSA-N 1 0 291.341 4.231 20 10 CICDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2ccc(F)c(F)c2)c(O)c1 ZINC000284123126 524333525 /nfs/dbraw/zinc/33/35/25/524333525.db2.gz NWUKREIVZJCQAG-LBPRGKRZSA-N 1 0 291.341 4.138 20 10 CICDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCSc3ccccc32)c1 ZINC000071407823 525351226 /nfs/dbraw/zinc/35/12/26/525351226.db2.gz CBLUTFDOEVKYHE-OAHLLOKOSA-N 1 0 285.412 4.027 20 10 CICDRO Cc1ccc(O)c(C[NH2+][C@H](C)c2ccc(Cl)cc2)c1 ZINC000071406348 525353391 /nfs/dbraw/zinc/35/33/91/525353391.db2.gz PQBXXXITJVVOEK-GFCCVEGCSA-N 1 0 275.779 4.205 20 10 CICDRO C[C@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)c1ccccc1O ZINC000061626366 525435648 /nfs/dbraw/zinc/43/56/48/525435648.db2.gz GKHKUBUTTPBRMS-NSHDSACASA-N 1 0 295.304 4.262 20 10 CICDRO Cc1cc([C@H](C)[NH2+][C@H](C)c2ccccc2O)c(C)s1 ZINC000037123060 525529820 /nfs/dbraw/zinc/52/98/20/525529820.db2.gz SOBRCQNLHITGNZ-NEPJUHHUSA-N 1 0 275.417 4.482 20 10 CICDRO C[C@@H]([NH2+]Cc1ccccc1O)c1ccc(C(F)(F)F)cc1 ZINC000037086725 525538880 /nfs/dbraw/zinc/53/88/80/525538880.db2.gz GCRQUMXJGUZHLA-LLVKDONJSA-N 1 0 295.304 4.262 20 10 CICDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)c1ccc(F)cc1F ZINC000036952868 525613944 /nfs/dbraw/zinc/61/39/44/525613944.db2.gz ORVFBDNRJDALFO-MNOVXSKESA-N 1 0 277.314 4.082 20 10 CICDRO C[C@@H]([NH2+][C@H](C)c1ccccc1O)c1ccc(Cl)cc1 ZINC000020121925 171002134 /nfs/dbraw/zinc/00/21/34/171002134.db2.gz NAEZAQYWXRKBDS-VXGBXAGGSA-N 1 0 275.779 4.457 20 10 CICDRO C[C@H]([NH2+][C@@H](C)c1ccccc1O)c1cccc(Cl)c1 ZINC000020124219 171006461 /nfs/dbraw/zinc/00/64/61/171006461.db2.gz AHYRRIUVGZSXTN-RYUDHWBXSA-N 1 0 275.779 4.457 20 10 CICDRO CC[C@@H]([NH2+][C@@H]1CCc2ccccc21)c1ccccc1O ZINC000020129894 171018800 /nfs/dbraw/zinc/01/88/00/171018800.db2.gz RYHZMVLVKVDJIM-IAGOWNOFSA-N 1 0 267.372 4.120 20 10 CICDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCc3ccccc32)c(O)c1 ZINC000020133802 171021922 /nfs/dbraw/zinc/02/19/22/171021922.db2.gz VIVWPXZNFBMOHL-KDOFPFPSSA-N 1 0 281.399 4.429 20 10 CICDRO CC[C@H]([NH2+][C@H]1CCCc2occc21)c1ccccc1O ZINC000020204643 171068983 /nfs/dbraw/zinc/06/89/83/171068983.db2.gz WMBRLJDXGTVIDS-GJZGRUSLSA-N 1 0 271.360 4.104 20 10 CICDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCc3ccccc32)c1 ZINC000035628838 172307726 /nfs/dbraw/zinc/30/77/26/172307726.db2.gz MMAWQCVVAZZHGW-KBXCAEBGSA-N 1 0 281.399 4.429 20 10 CICDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCCc3ccccc32)c1 ZINC000035628839 172307956 /nfs/dbraw/zinc/30/79/56/172307956.db2.gz MMAWQCVVAZZHGW-KDOFPFPSSA-N 1 0 281.399 4.429 20 10 CICDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCc3occc32)c1 ZINC000035628962 172308435 /nfs/dbraw/zinc/30/84/35/172308435.db2.gz PTRLUOVXMQBQNC-SWLSCSKDSA-N 1 0 271.360 4.022 20 10 CICDRO COc1cccc([C@@H](C)[NH2+][C@H](C)c2cc(C)ccc2O)c1 ZINC000037771605 260116287 /nfs/dbraw/zinc/11/62/87/260116287.db2.gz TZYWIHFFAYUVCZ-ZIAGYGMSSA-N 1 0 285.387 4.121 20 10 CICDRO CC[C@@H]([NH2+]Cc1cccs1)c1ccc(N(C)C)cc1 ZINC000156514079 261124416 /nfs/dbraw/zinc/12/44/16/261124416.db2.gz TWJVTEKMZQFXMX-MRXNPFEDSA-N 1 0 274.433 4.055 20 10 CICDRO Cc1noc(C)c1C[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000174025467 261176682 /nfs/dbraw/zinc/17/66/82/261176682.db2.gz WBHBMAWVNZRJCB-LLVKDONJSA-N 1 0 296.370 4.001 20 10 CICDRO Cc1ccc(O)c(C[NH2+][C@H](c2ccco2)c2ccccc2)c1 ZINC000103855457 261335779 /nfs/dbraw/zinc/33/57/79/261335779.db2.gz LPQRWBCYXRELOS-IBGZPJMESA-N 1 0 293.366 4.173 20 10 CICDRO Cc1cccnc1[C@H]([NH2+][C@H](C)c1ccccc1O)C(C)C ZINC000183514332 261977613 /nfs/dbraw/zinc/97/76/13/261977613.db2.gz ONLCJERRKVOFRI-RHSMWYFYSA-N 1 0 284.403 4.144 20 10 CICDRO C[C@H]([NH2+]Cc1ccsc1)c1cc2c(cc1O)CCCC2 ZINC000185020164 262037507 /nfs/dbraw/zinc/03/75/07/262037507.db2.gz ZWUMAMDBLUTZSR-LBPRGKRZSA-N 1 0 287.428 4.183 20 10 CICDRO C[C@@H]([NH2+][C@@H]1CCc2cc(F)ccc21)c1cc(F)ccc1O ZINC000185216759 262046546 /nfs/dbraw/zinc/04/65/46/262046546.db2.gz RDRAMCUCCKABEI-QLJPJBMISA-N 1 0 289.325 4.009 20 10 CICDRO C[C@@H]([NH2+][C@H](C)c1cccc(F)c1F)c1cc(F)ccc1O ZINC000186208440 262084711 /nfs/dbraw/zinc/08/47/11/262084711.db2.gz YYUAHAUJCQYNNQ-NXEZZACHSA-N 1 0 295.304 4.221 20 10 CICDRO CCc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2O)s1 ZINC000185026561 262301351 /nfs/dbraw/zinc/30/13/51/262301351.db2.gz ZANCTTZQHSDELN-JTQLQIEISA-N 1 0 279.380 4.006 20 10 CICDRO CC[C@H]([NH2+]Cc1cc(OC)ccc1O)c1cc(C)ccc1C ZINC000527869903 330286147 /nfs/dbraw/zinc/28/61/47/330286147.db2.gz OWWUOAVLNAZJKT-SFHVURJKSA-N 1 0 299.414 4.259 20 10 CICDRO CSc1ccc([C@@H](C)[NH2+]Cc2cc(F)ccc2O)cc1 ZINC000226583940 333265604 /nfs/dbraw/zinc/26/56/04/333265604.db2.gz MPXQTIJVSNTTPE-LLVKDONJSA-N 1 0 291.391 4.104 20 10 CICDRO C[C@H]([NH2+][C@@H](c1ccco1)c1ccccc1)c1ccccc1O ZINC000192791587 533979272 /nfs/dbraw/zinc/97/92/72/533979272.db2.gz GBTWVPOWOZDJJH-IFXJQAMLSA-N 1 0 293.366 4.425 20 10 CICDRO CCOc1cccc(C[NH2+]C(C)(C)c2ccccc2C)c1O ZINC000293070081 521359949 /nfs/dbraw/zinc/35/99/49/521359949.db2.gz SVMCRVQDQZJYOJ-UHFFFAOYSA-N 1 0 299.414 4.124 20 10 CICDRO CC[C@H]([NH2+]Cc1cccc(COC)c1)c1ccc(C)cc1O ZINC000280233701 522652022 /nfs/dbraw/zinc/65/20/22/522652022.db2.gz VMJCQCBDRVRUDD-SFHVURJKSA-N 1 0 299.414 4.088 20 10 CICDRO CC[C@H]([NH2+]Cc1ccccc1COC)c1ccc(C)cc1O ZINC000280115457 522657559 /nfs/dbraw/zinc/65/75/59/522657559.db2.gz NYEMWZARIOGAJA-SFHVURJKSA-N 1 0 299.414 4.088 20 10 CICDRO CC[C@H]([NH2+][C@@H](COC)c1ccccc1)c1ccc(C)cc1O ZINC000279970056 522709443 /nfs/dbraw/zinc/70/94/43/522709443.db2.gz CWWPWHYXYONZOS-ROUUACIJSA-N 1 0 299.414 4.129 20 10 CICDRO CC[C@H]([NH2+][C@H](C)c1cc(OC)ccc1O)c1ccccc1 ZINC000051626360 522738673 /nfs/dbraw/zinc/73/86/73/522738673.db2.gz ZVDSTNPSTKSZDE-DYVFJYSZSA-N 1 0 285.387 4.203 20 10 CICDRO CC[C@@H]([NH2+]C[C@@H](C)c1nccs1)c1ccc(C)cc1O ZINC000279977660 522848455 /nfs/dbraw/zinc/84/84/55/522848455.db2.gz DJBPRQSENTZEDU-TZMCWYRMSA-N 1 0 290.432 4.002 20 10 CICDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc(C)cc1O ZINC000280020201 522877422 /nfs/dbraw/zinc/87/74/22/522877422.db2.gz HJFAYYCQMCUNDG-GOSISDBHSA-N 1 0 298.430 4.008 20 10 CICDRO CC[C@@H]([NH2+]Cc1cccc(COC)c1)c1ccc(C)cc1O ZINC000280233697 522879977 /nfs/dbraw/zinc/87/99/77/522879977.db2.gz VMJCQCBDRVRUDD-GOSISDBHSA-N 1 0 299.414 4.088 20 10 CICDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCc3ccccc32)c1 ZINC000120513128 524774521 /nfs/dbraw/zinc/77/45/21/524774521.db2.gz HATUPEMSPJXCRZ-UGSOOPFHSA-N 1 0 297.398 4.129 20 10 CICDRO Cc1ccc(O)c(C[NH2+][C@@H](C)c2ccccc2Cl)c1 ZINC000071406382 525352350 /nfs/dbraw/zinc/35/23/50/525352350.db2.gz QQHVLDDGNNMAGJ-LBPRGKRZSA-N 1 0 275.779 4.205 20 10 CICDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCCc3sccc32)c1 ZINC000061360003 525361651 /nfs/dbraw/zinc/36/16/51/525361651.db2.gz DJOXINOMIUJALQ-DOMZBBRYSA-N 1 0 287.428 4.490 20 10 CICDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2ccc(F)cc2F)c1 ZINC000036952893 525364860 /nfs/dbraw/zinc/36/48/60/525364860.db2.gz PMCDJWNQTBNIDT-RYUDHWBXSA-N 1 0 291.341 4.391 20 10 CICDRO C[C@H]([NH2+]Cc1ccccc1O)c1cccc(C(F)(F)F)c1 ZINC000037074186 525463414 /nfs/dbraw/zinc/46/34/14/525463414.db2.gz LMRLWEBMFOGDQP-NSHDSACASA-N 1 0 295.304 4.262 20 10 CICDRO C[C@H]([NH2+]Cc1ccccc1C(F)(F)F)c1ccccc1O ZINC000061626117 525463445 /nfs/dbraw/zinc/46/34/45/525463445.db2.gz ZPCJODUMOIQQPA-NSHDSACASA-N 1 0 295.304 4.262 20 10 CICDRO C[C@@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)c1ccccc1O ZINC000061626367 525517785 /nfs/dbraw/zinc/51/77/85/525517785.db2.gz GKHKUBUTTPBRMS-LLVKDONJSA-N 1 0 295.304 4.262 20 10 CICDRO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1ccc(F)cc1F ZINC000094617204 525604379 /nfs/dbraw/zinc/60/43/79/525604379.db2.gz CMDHUMJUPZQYIY-ZJUUUORDSA-N 1 0 295.304 4.221 20 10 CICDRO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1c(F)cccc1F ZINC000094617671 525604874 /nfs/dbraw/zinc/60/48/74/525604874.db2.gz FVBTUDUKBZMODC-VHSXEESVSA-N 1 0 295.304 4.221 20 10 CICDRO C[C@H]([NH2+][C@H]1CCCc2occc21)c1ccc(N(C)C)cc1 ZINC000037241858 525613603 /nfs/dbraw/zinc/61/36/03/525613603.db2.gz GXGJYAQPLVYKHO-GUYCJALGSA-N 1 0 284.403 4.074 20 10 CICDRO C[C@H]([NH2+][C@H]1CCCc2sccc21)c1cc(F)ccc1O ZINC000094618125 525613820 /nfs/dbraw/zinc/61/38/20/525613820.db2.gz VAQORAAUOVHBDD-HZMBPMFUSA-N 1 0 291.391 4.321 20 10 CICDRO C[C@@H]([NH2+][C@H]1CCCc2sccc21)c1cc(F)ccc1O ZINC000094618126 525681695 /nfs/dbraw/zinc/68/16/95/525681695.db2.gz VAQORAAUOVHBDD-YGRLFVJLSA-N 1 0 291.391 4.321 20 10 CICDRO Cc1ccoc1C[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000293238564 525807334 /nfs/dbraw/zinc/80/73/34/525807334.db2.gz BELROOOJVNNEDJ-CYBMUJFWSA-N 1 0 285.387 4.023 20 10 CICDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccccc2O)s1 ZINC000049158079 525943022 /nfs/dbraw/zinc/94/30/22/525943022.db2.gz WTPKZSOCSJZRMW-NEPJUHHUSA-N 1 0 261.390 4.174 20 10 CICDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCc3sccc32)c(O)c1 ZINC000061359910 525945182 /nfs/dbraw/zinc/94/51/82/525945182.db2.gz YBRMCQQWTUCBTA-WFASDCNBSA-N 1 0 287.428 4.490 20 10 CICDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H]2c2cccs2)cc1C ZINC000007143274 170268340 /nfs/dbraw/zinc/26/83/40/170268340.db2.gz WEQZHBQOYCDTJP-HNNXBMFYSA-N 1 0 287.428 4.408 20 10 CICDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc(Cl)cc1 ZINC000020121854 171001352 /nfs/dbraw/zinc/00/13/52/171001352.db2.gz IOIPYGVOOUWAKK-ZDUSSCGKSA-N 1 0 288.822 4.257 20 10 CICDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2ccccc2C)c1 ZINC000020126249 171010165 /nfs/dbraw/zinc/01/01/65/171010165.db2.gz UYABPICDPPTNKV-KGLIPLIRSA-N 1 0 285.387 4.121 20 10 CICDRO CC(C)OCCC[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000020198006 171061831 /nfs/dbraw/zinc/06/18/31/171061831.db2.gz BTDWZSGOOHCPOB-AWEZNQCLSA-N 1 0 287.403 4.011 20 10 CICDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2ccccc2)c1 ZINC000035628463 172307489 /nfs/dbraw/zinc/30/74/89/172307489.db2.gz ZKZYKPRHAHIVTE-ZIAGYGMSSA-N 1 0 255.361 4.112 20 10 CICDRO Cc1ccc(O)c(C[NH2+][C@H](C)c2cccc(Cl)c2)c1 ZINC000071406385 176155948 /nfs/dbraw/zinc/15/59/48/176155948.db2.gz HGGYMOOUFJEYJD-GFCCVEGCSA-N 1 0 275.779 4.205 20 10 CICDRO C[C@@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)c1ccccc1 ZINC000037185764 260072807 /nfs/dbraw/zinc/07/28/07/260072807.db2.gz BVGRDHRWLBRNTG-HUUCEWRRSA-N 1 0 268.404 4.164 20 10 CICDRO C[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC000037185769 260073139 /nfs/dbraw/zinc/07/31/39/260073139.db2.gz ZJZBCXYUXBLDGF-INIZCTEOSA-N 1 0 280.415 4.138 20 10 CICDRO CC[C@@H]([NH2+]Cc1ccc(F)c(C)c1)c1ccccc1O ZINC000154974388 261096759 /nfs/dbraw/zinc/09/67/59/261096759.db2.gz ZTYMFCGIXZVNQJ-MRXNPFEDSA-N 1 0 273.351 4.081 20 10 CICDRO C[C@H]([NH2+]Cc1ccc(C(F)F)cc1)c1ccccc1O ZINC000183988042 262003549 /nfs/dbraw/zinc/00/35/49/262003549.db2.gz YSCZAZIRQBFFIP-NSHDSACASA-N 1 0 277.314 4.181 20 10 CICDRO C[C@@H]([NH2+]CCC[C@H]1CCCCO1)c1cc(Cl)ccc1O ZINC000184000260 262004315 /nfs/dbraw/zinc/00/43/15/262004315.db2.gz GEHRBJVAKNZNPG-TZMCWYRMSA-N 1 0 297.826 4.046 20 10 CICDRO C[C@H]([NH2+]CCC[C@H]1CCCCO1)c1cc(Cl)ccc1O ZINC000184000242 262004404 /nfs/dbraw/zinc/00/44/04/262004404.db2.gz GEHRBJVAKNZNPG-GXTWGEPZSA-N 1 0 297.826 4.046 20 10 CICDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCc3cc(F)ccc32)c1 ZINC000185216184 262046416 /nfs/dbraw/zinc/04/64/16/262046416.db2.gz BYQCADSBPIHNGE-SJKOYZFVSA-N 1 0 285.362 4.178 20 10 CICDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCOc3ccccc32)c1 ZINC000185270372 262047970 /nfs/dbraw/zinc/04/79/70/262047970.db2.gz XXOMEMKQABBSFT-WMLDXEAASA-N 1 0 297.398 4.265 20 10 CICDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCOc3ccccc32)c1 ZINC000185270347 262048449 /nfs/dbraw/zinc/04/84/49/262048449.db2.gz XXOMEMKQABBSFT-RHSMWYFYSA-N 1 0 297.398 4.265 20 10 CICDRO Cc1ccc(O)c([C@@H](C)[NH2+]C2(c3ccccc3F)CC2)c1 ZINC000186322422 262089072 /nfs/dbraw/zinc/08/90/72/262089072.db2.gz WMKXJZCQKJSLRR-CYBMUJFWSA-N 1 0 285.362 4.180 20 10 CICDRO CCc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2O)s1 ZINC000185026578 262301207 /nfs/dbraw/zinc/30/12/07/262301207.db2.gz ZANCTTZQHSDELN-SNVBAGLBSA-N 1 0 279.380 4.006 20 10 CICDRO C[C@H]([NH2+][C@H]1CCc2c1cccc2Cl)c1ccccc1O ZINC000179904299 327803682 /nfs/dbraw/zinc/80/36/82/327803682.db2.gz UGRADPCWYNKSJT-ZBEGNZNMSA-N 1 0 287.790 4.384 20 10 CICDRO Cc1cc(O)c(C[NH2+]Cc2ccc(C(F)F)cc2)cc1C ZINC000185173657 327837014 /nfs/dbraw/zinc/83/70/14/327837014.db2.gz CDBRGUFRDDSJHJ-UHFFFAOYSA-N 1 0 291.341 4.236 20 10 CICDRO Cc1cc([C@@H](C)[NH2+][C@H](C)c2ccccc2O)ccc1F ZINC000272856677 328200831 /nfs/dbraw/zinc/20/08/31/328200831.db2.gz MBKKUJOBMZGGIX-CHWSQXEVSA-N 1 0 273.351 4.252 20 10 CICDRO COc1cccc(C[NH2+][C@@H](c2cccc(C)c2)C(C)C)c1O ZINC000527814274 326870925 /nfs/dbraw/zinc/87/09/25/326870925.db2.gz PWOBCRZSWZCWLR-GOSISDBHSA-N 1 0 299.414 4.196 20 10 CICDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCOc3c(C)cccc32)c1 ZINC000189374932 329380464 /nfs/dbraw/zinc/38/04/64/329380464.db2.gz FVWAKNNROARKIW-RHSMWYFYSA-N 1 0 297.398 4.183 20 10 CICDRO Cc1cc(O)c(C[NH2+][C@H](c2ccccn2)C2CCC2)cc1C ZINC000527773767 330282190 /nfs/dbraw/zinc/28/21/90/330282190.db2.gz QRDKSUHZKNQTAU-IBGZPJMESA-N 1 0 296.414 4.035 20 10 CICDRO CCOc1cccc(C[NH2+][C@H](c2ccccc2)C2CC2)c1O ZINC000236924413 333376569 /nfs/dbraw/zinc/37/65/69/333376569.db2.gz VRWGUQSGCNRWOV-GOSISDBHSA-N 1 0 297.398 4.032 20 10 CICDRO CC[C@@H]([NH2+]Cc1sccc1C)c1ccccc1O ZINC000094875229 522898069 /nfs/dbraw/zinc/89/80/69/522898069.db2.gz XHLMFWSCVIREND-CYBMUJFWSA-N 1 0 261.390 4.003 20 10 CICDRO Cc1cccc(C[NH2+][C@@H]2CCSc3ccccc32)c1O ZINC000158067612 524437784 /nfs/dbraw/zinc/43/77/84/524437784.db2.gz DFUCQEQMWJAMCY-OAHLLOKOSA-N 1 0 285.412 4.027 20 10 CICDRO Cc1ccc(O)c(C[NH2+][C@@H](C)c2ccc(Cl)cc2)c1 ZINC000071406347 525352571 /nfs/dbraw/zinc/35/25/71/525352571.db2.gz PQBXXXITJVVOEK-LBPRGKRZSA-N 1 0 275.779 4.205 20 10 CICDRO Cc1ccc(O)c(C[NH2+][C@H](C)c2ccccc2Cl)c1 ZINC000071406383 525355391 /nfs/dbraw/zinc/35/53/91/525355391.db2.gz QQHVLDDGNNMAGJ-GFCCVEGCSA-N 1 0 275.779 4.205 20 10 CICDRO C[C@H]([NH2+][C@@H](C)c1ccccc1O)c1ccc(F)c(F)c1 ZINC000036953216 525535320 /nfs/dbraw/zinc/53/53/20/525535320.db2.gz CDSRBWLDLGGWBM-QWRGUYRKSA-N 1 0 277.314 4.082 20 10 CICDRO C[C@H]([NH2+][C@@H]1CCCc2occc21)c1ccc(N(C)C)cc1 ZINC000037241854 525563264 /nfs/dbraw/zinc/56/32/64/525563264.db2.gz GXGJYAQPLVYKHO-SUMWQHHRSA-N 1 0 284.403 4.074 20 10 CICDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCc3sccc32)c(O)c1 ZINC000061359909 525750567 /nfs/dbraw/zinc/75/05/67/525750567.db2.gz YBRMCQQWTUCBTA-DOMZBBRYSA-N 1 0 287.428 4.490 20 10 CICDRO C[C@H]([NH2+]Cc1cccc(C(F)(F)F)c1)c1ccccc1O ZINC000019906713 170918811 /nfs/dbraw/zinc/91/88/11/170918811.db2.gz WXCBZEPRDSNCJG-NSHDSACASA-N 1 0 295.304 4.262 20 10 CICDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)c1ccccc1Cl ZINC000020124035 171005418 /nfs/dbraw/zinc/00/54/18/171005418.db2.gz MWUDCCSXPCIQOW-NEPJUHHUSA-N 1 0 275.779 4.457 20 10 CICDRO C[C@@H]([NH2+][C@H](C)c1ccccc1O)c1cccc(Cl)c1 ZINC000020124220 171006538 /nfs/dbraw/zinc/00/65/38/171006538.db2.gz AHYRRIUVGZSXTN-VXGBXAGGSA-N 1 0 275.779 4.457 20 10 CICDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCc3ccccc32)c1 ZINC000035628829 172308330 /nfs/dbraw/zinc/30/83/30/172308330.db2.gz NXVHKDHUTSQQLX-CXAGYDPISA-N 1 0 267.372 4.039 20 10 CICDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccccc2Cl)c1 ZINC000035628575 260030555 /nfs/dbraw/zinc/03/05/55/260030555.db2.gz OLAIZMNFWHPOPJ-GFCCVEGCSA-N 1 0 275.779 4.205 20 10 CICDRO CC[C@H]([NH2+]C[C@@H](C)c1ncc(C)s1)c1ccccc1O ZINC000158101553 261158713 /nfs/dbraw/zinc/15/87/13/261158713.db2.gz WFYALGSNCAIKRC-RISCZKNCSA-N 1 0 290.432 4.002 20 10 CICDRO CC[C@H]([NH2+][C@@H](CC)c1ccc(N(C)C)cc1)c1ccncc1 ZINC000163713029 261325936 /nfs/dbraw/zinc/32/59/36/261325936.db2.gz YKTHBQXGAMNPJV-OALUTQOASA-N 1 0 297.446 4.340 20 10 CICDRO CCN(CC)c1ccc(C[NH2+][C@H](C)c2cncc(C)c2)cc1 ZINC000184286412 262014601 /nfs/dbraw/zinc/01/46/01/262014601.db2.gz YLMOLXSSTJFGBQ-MRXNPFEDSA-N 1 0 297.446 4.087 20 10 CICDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCOc3ccccc32)c(O)c1 ZINC000185270958 262048288 /nfs/dbraw/zinc/04/82/88/262048288.db2.gz RWSDAMCGSXFNRF-WMLDXEAASA-N 1 0 297.398 4.265 20 10 CICDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2cccc(F)c2F)c1 ZINC000186207808 262084753 /nfs/dbraw/zinc/08/47/53/262084753.db2.gz XVWSGVZLMSARCR-NEPJUHHUSA-N 1 0 291.341 4.391 20 10 CICDRO Cc1ccc([C@H](C)[NH2+]C2(c3ccccc3F)CC2)c(O)c1 ZINC000186322715 262088702 /nfs/dbraw/zinc/08/87/02/262088702.db2.gz JWGUXMRSYSDUOL-ZDUSSCGKSA-N 1 0 285.362 4.180 20 10 CICDRO Cc1cccc(C[NH2+]Cc2cc(C3CC3)ccc2F)c1O ZINC000295071079 263171865 /nfs/dbraw/zinc/17/18/65/263171865.db2.gz HKDSFJRBXNGYLR-UHFFFAOYSA-N 1 0 285.362 4.007 20 10 CICDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000556876650 326977114 /nfs/dbraw/zinc/97/71/14/326977114.db2.gz ADNNSEAEGDAYJY-GDBMZVCRSA-N 1 0 288.410 4.105 20 10 CICDRO COc1ccc([C@@H](C)[NH2+][C@H](C)c2cc(C)ccc2O)cc1 ZINC000090339566 327094207 /nfs/dbraw/zinc/09/42/07/327094207.db2.gz FSBWCVPWQAQNBE-ZIAGYGMSSA-N 1 0 285.387 4.121 20 10 CICDRO CC[C@H](c1ccccc1O)[N@H+](C)[C@H]1CCCc2cccnc21 ZINC000377708781 329026287 /nfs/dbraw/zinc/02/62/87/329026287.db2.gz XYUIJAWYBODPKA-SJORKVTESA-N 1 0 296.414 4.248 20 10 CICDRO CC[C@@H]([NH2+]Cc1ccccc1O)c1cc(C)ccc1C ZINC000527824843 330286598 /nfs/dbraw/zinc/28/65/98/330286598.db2.gz YXXBZTMUOXOUMQ-QGZVFWFLSA-N 1 0 269.388 4.250 20 10 CICDRO C[C@H]([NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C)c1ccc2ccccc2c1O ZINC000528003518 330300279 /nfs/dbraw/zinc/30/02/79/330300279.db2.gz OSCBUGDNDDLNKK-PCBYGDGMSA-N 1 0 299.414 4.008 20 10 CICDRO Cc1cccc(C[NH2+][C@@H]2CCc3cc(Cl)ccc32)c1O ZINC000529666078 333504445 /nfs/dbraw/zinc/50/44/45/333504445.db2.gz PSKVYWKWCFLTSL-MRXNPFEDSA-N 1 0 287.790 4.131 20 10 CICDRO C[C@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)c1ccc2ccccc2c1O ZINC000273519224 334766460 /nfs/dbraw/zinc/76/64/60/334766460.db2.gz TXHMENRQOHXOJG-QLFBSQMISA-N 1 0 299.414 4.011 20 10 CICDRO CCC[C@H]([NH2+]Cc1ccccc1O)c1ccccc1 ZINC000037062427 521163541 /nfs/dbraw/zinc/16/35/41/521163541.db2.gz LPNAQHBQLVNEBJ-INIZCTEOSA-N 1 0 255.361 4.023 20 10 CICDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc(C)cc1O ZINC000280020203 522649349 /nfs/dbraw/zinc/64/93/49/522649349.db2.gz HJFAYYCQMCUNDG-SFHVURJKSA-N 1 0 298.430 4.008 20 10 CICDRO CC[C@H]([NH2+]Cc1ccsc1)c1ccc(C)cc1O ZINC000280289950 522658525 /nfs/dbraw/zinc/65/85/25/522658525.db2.gz ZDXSDOYVNMULGY-AWEZNQCLSA-N 1 0 261.390 4.003 20 10 CICDRO CC[C@H]([NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1)c1ccccc1O ZINC000274805851 522756568 /nfs/dbraw/zinc/75/65/68/522756568.db2.gz WPEJAVVHUKUMTO-JLJPHGGASA-N 1 0 291.435 4.027 20 10 CICDRO CC[C@H]([NH2+][C@H]1CCO[C@@H](CC(C)C)C1)c1ccccc1O ZINC000274725230 522757415 /nfs/dbraw/zinc/75/74/15/522757415.db2.gz ANCQBOFDZARPQW-ZOBUZTSGSA-N 1 0 291.435 4.027 20 10 CICDRO COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000036961251 523852733 /nfs/dbraw/zinc/85/27/33/523852733.db2.gz IOTHRWAMFPOHQW-UONOGXRCSA-N 1 0 285.387 4.121 20 10 CICDRO COc1ccc(C)cc1[C@@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000036961255 523854870 /nfs/dbraw/zinc/85/48/70/523854870.db2.gz IOTHRWAMFPOHQW-ZIAGYGMSSA-N 1 0 285.387 4.121 20 10 CICDRO COc1ccc(C)cc1[C@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000036961253 523858309 /nfs/dbraw/zinc/85/83/09/523858309.db2.gz IOTHRWAMFPOHQW-KBPBESRZSA-N 1 0 285.387 4.121 20 10 CICDRO C[C@H]([NH2+][C@@H]1CCCc2sccc21)c1ccccc1O ZINC000061359861 525564912 /nfs/dbraw/zinc/56/49/12/525564912.db2.gz SQGRMDYHTWHHAR-SMDDNHRTSA-N 1 0 273.401 4.182 20 10 CICDRO C[C@@H]([NH2+][C@H](C)c1ccccc1O)c1ccc(F)c(F)c1 ZINC000036953219 525662946 /nfs/dbraw/zinc/66/29/46/525662946.db2.gz CDSRBWLDLGGWBM-GHMZBOCLSA-N 1 0 277.314 4.082 20 10 CICDRO C[C@@H]([NH2+][C@H](c1ccccc1)C1CC1)c1ccccc1O ZINC000037075386 525669346 /nfs/dbraw/zinc/66/93/46/525669346.db2.gz IJEIHKTWFRKNSO-FZKQIMNGSA-N 1 0 267.372 4.194 20 10 CICDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC(F)(F)C2)c(O)c1C ZINC000281082431 525922234 /nfs/dbraw/zinc/92/22/34/525922234.db2.gz JKMJJBUXLOUYLD-QWHCGFSZSA-N 1 0 283.362 4.095 20 10 CICDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCc3sccc32)c(O)c1 ZINC000061359908 525937542 /nfs/dbraw/zinc/93/75/42/525937542.db2.gz YBRMCQQWTUCBTA-SWLSCSKDSA-N 1 0 287.428 4.490 20 10 CICDRO CC[C@H]([NH2+][C@@H](C)c1ccc(F)cc1F)c1ccccc1O ZINC000036952762 260056505 /nfs/dbraw/zinc/05/65/05/260056505.db2.gz NYOATOPZPHOLSW-ZBEGNZNMSA-N 1 0 291.341 4.472 20 10 CICDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccccc1Cl ZINC000020123969 171005688 /nfs/dbraw/zinc/00/56/88/171005688.db2.gz XHECINRCGWOAIM-ZDUSSCGKSA-N 1 0 288.822 4.257 20 10 CICDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc(F)cc1 ZINC000020146081 171031657 /nfs/dbraw/zinc/03/16/57/171031657.db2.gz OKZNAWKKQXWSTH-SFHVURJKSA-N 1 0 286.394 4.133 20 10 CICDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc(F)cc1 ZINC000020146080 171032005 /nfs/dbraw/zinc/03/20/05/171032005.db2.gz OKZNAWKKQXWSTH-GOSISDBHSA-N 1 0 286.394 4.133 20 10 CICDRO Oc1ccc(Cl)cc1C[NH2+]C1CCCCCCC1 ZINC000021054156 171295378 /nfs/dbraw/zinc/29/53/78/171295378.db2.gz JRDBSAQPCCYIEJ-UHFFFAOYSA-N 1 0 267.800 4.248 20 10 CICDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCc3ccccc32)c1 ZINC000035628837 172307753 /nfs/dbraw/zinc/30/77/53/172307753.db2.gz MMAWQCVVAZZHGW-RDTXWAMCSA-N 1 0 281.399 4.429 20 10 CICDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCc3occc32)c1 ZINC000035628964 172309062 /nfs/dbraw/zinc/30/90/62/172309062.db2.gz PTRLUOVXMQBQNC-WFASDCNBSA-N 1 0 271.360 4.022 20 10 CICDRO CC[C@H]([NH2+][C@H](C)c1ccc(F)cc1F)c1ccccc1O ZINC000036952764 260056524 /nfs/dbraw/zinc/05/65/24/260056524.db2.gz NYOATOPZPHOLSW-BZNIZROVSA-N 1 0 291.341 4.472 20 10 CICDRO CCOCCC1(C[NH2+][C@@H](CC)c2ccccc2O)CCC1 ZINC000156739177 261130237 /nfs/dbraw/zinc/13/02/37/261130237.db2.gz IQWGULUGRFGMTG-INIZCTEOSA-N 1 0 291.435 4.030 20 10 CICDRO CC[C@@H]([NH2+]C1(c2ccccc2F)CC1)c1ccccc1O ZINC000157322108 261144159 /nfs/dbraw/zinc/14/41/59/261144159.db2.gz GXNKQVFZMKDIIL-MRXNPFEDSA-N 1 0 285.362 4.261 20 10 CICDRO Cc1noc(C)c1C[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000174025457 261176386 /nfs/dbraw/zinc/17/63/86/261176386.db2.gz WBHBMAWVNZRJCB-NSHDSACASA-N 1 0 296.370 4.001 20 10 CICDRO CCCOc1ccc(C[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC000179886342 261821905 /nfs/dbraw/zinc/82/19/05/261821905.db2.gz JUAKGGFBPDFXCR-AWEZNQCLSA-N 1 0 285.387 4.032 20 10 CICDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)c1cccc(F)c1F ZINC000183634542 261983095 /nfs/dbraw/zinc/98/30/95/261983095.db2.gz HBOLAHKFIKGXNK-WDEREUQCSA-N 1 0 277.314 4.082 20 10 CICDRO CCC(CC)[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2O)CCO1 ZINC000183715648 261986422 /nfs/dbraw/zinc/98/64/22/261986422.db2.gz DWFLSOMISJBTRQ-YEWWUXTCSA-N 1 0 291.435 4.027 20 10 CICDRO C[C@@H]([NH2+][C@@H](C)c1ccccn1)c1cc2c(cc1O)CCCC2 ZINC000184845854 262030233 /nfs/dbraw/zinc/03/02/33/262030233.db2.gz OOUDDZBEMAAOMH-KGLIPLIRSA-N 1 0 296.414 4.078 20 10 CICDRO C[C@@H]([NH2+]Cc1ccsc1)c1cc2c(cc1O)CCCC2 ZINC000185020186 262038271 /nfs/dbraw/zinc/03/82/71/262038271.db2.gz ZWUMAMDBLUTZSR-GFCCVEGCSA-N 1 0 287.428 4.183 20 10 CICDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCc3cc(F)ccc32)c1 ZINC000185216222 262045762 /nfs/dbraw/zinc/04/57/62/262045762.db2.gz BYQCADSBPIHNGE-PXAZEXFGSA-N 1 0 285.362 4.178 20 10 CICDRO Cc1ccc(O)c([C@H](C)[NH2+]C2(c3ccccc3F)CC2)c1 ZINC000186322440 262089006 /nfs/dbraw/zinc/08/90/06/262089006.db2.gz WMKXJZCQKJSLRR-ZDUSSCGKSA-N 1 0 285.362 4.180 20 10 CICDRO C[C@@H]([NH2+][C@H](C)C1CCOCC1)c1ccc2ccccc2c1O ZINC000185782833 262308693 /nfs/dbraw/zinc/30/86/93/262308693.db2.gz QAYCDYNMEZBPLU-ZIAGYGMSSA-N 1 0 299.414 4.011 20 10 CICDRO CC[C@H](c1ccccc1O)[N@@H+]1CCC[C@H]1c1c(C)n[nH]c1C ZINC000367729450 267113737 /nfs/dbraw/zinc/11/37/37/267113737.db2.gz UIEZHNABXKCVOO-CVEARBPZSA-N 1 0 299.418 4.020 20 10 CICDRO CCC(CC)c1cc(C[NH2+][C@@H](C)c2ccccc2O)on1 ZINC000183532548 327820453 /nfs/dbraw/zinc/82/04/53/327820453.db2.gz LFHQXXYXDLQUKP-LBPRGKRZSA-N 1 0 288.391 4.135 20 10 CICDRO CC[C@H]([NH2+]Cc1ccccc1O)c1cc(C)ccc1C ZINC000527824840 330286555 /nfs/dbraw/zinc/28/65/55/330286555.db2.gz YXXBZTMUOXOUMQ-KRWDZBQOSA-N 1 0 269.388 4.250 20 10 CICDRO C[C@H]([NH2+][C@H]1[C@@H](C)[C@H](C)O[C@H]1C)c1ccc2ccccc2c1O ZINC000528003515 330300334 /nfs/dbraw/zinc/30/03/34/330300334.db2.gz OSCBUGDNDDLNKK-NTIKPUAMSA-N 1 0 299.414 4.008 20 10 CICDRO CC[C@H]([NH2+][C@@H](c1ccccn1)C1CCC1)c1ccccc1O ZINC000527962703 330300849 /nfs/dbraw/zinc/30/08/49/330300849.db2.gz HOXMQYORIZXXAP-QFBILLFUSA-N 1 0 296.414 4.369 20 10 CICDRO CC[C@H]([NH2+]Cc1cccc(N(C)C)c1)c1ccc(C)cc1O ZINC000280134157 522652874 /nfs/dbraw/zinc/65/28/74/522652874.db2.gz PGODKCUVKPGSDI-SFHVURJKSA-N 1 0 298.430 4.008 20 10 CICDRO CC[C@H]([NH2+][C@@H](CC)c1ccc(C)cc1O)c1ccncc1 ZINC000280097375 522704663 /nfs/dbraw/zinc/70/46/63/522704663.db2.gz MVJFUAOCONVKBX-IRXDYDNUSA-N 1 0 284.403 4.288 20 10 CICDRO COc1ccc(C)cc1[C@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000036961257 523859256 /nfs/dbraw/zinc/85/92/56/523859256.db2.gz IOTHRWAMFPOHQW-KGLIPLIRSA-N 1 0 285.387 4.121 20 10 CICDRO Cc1cc(C)c([C@@H](C)[NH2+]CCCC(C)(F)F)c(O)c1 ZINC000297399610 524330001 /nfs/dbraw/zinc/33/00/01/524330001.db2.gz SJRVYWVLXFXEEG-GFCCVEGCSA-N 1 0 271.351 4.095 20 10 CICDRO Cc1cc(O)c(C[NH2+][C@@H](C)c2ccc(F)cc2F)cc1C ZINC000237564215 525322816 /nfs/dbraw/zinc/32/28/16/525322816.db2.gz XMLMINYAODLANX-LBPRGKRZSA-N 1 0 291.341 4.138 20 10 CICDRO Cc1cc([C@@H](C)[NH2+][C@H](C)c2ccccc2O)c(C)s1 ZINC000037123059 525474560 /nfs/dbraw/zinc/47/45/60/525474560.db2.gz SOBRCQNLHITGNZ-VXGBXAGGSA-N 1 0 275.417 4.482 20 10 CICDRO Cc1cc([C@H](C)[NH2+][C@@H](C)c2ccccc2O)c(C)s1 ZINC000037123058 525525311 /nfs/dbraw/zinc/52/53/11/525525311.db2.gz SOBRCQNLHITGNZ-RYUDHWBXSA-N 1 0 275.417 4.482 20 10 CICDRO C[C@H]([NH2+][C@@H]1CCSc2ccccc21)c1ccccc1O ZINC000037128138 525580504 /nfs/dbraw/zinc/58/05/04/525580504.db2.gz UHUJRJAAHLIXBL-SWLSCSKDSA-N 1 0 285.412 4.280 20 10 CICDRO c1csc(C[NH2+]Cc2ccc(N3CCCCC3)cc2)c1 ZINC000020139532 526580494 /nfs/dbraw/zinc/58/04/94/526580494.db2.gz DTNCRWZBROMWBL-UHFFFAOYSA-N 1 0 286.444 4.028 20 10 CICDRO C[C@@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1cccc(Cl)c1 ZINC000296072433 533528474 /nfs/dbraw/zinc/52/84/74/533528474.db2.gz SEECMSIXLYXGMR-IAQYHMDHSA-N 1 0 287.790 4.384 20 10 CICDRO CC(C)CCC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000037985026 134851898 /nfs/dbraw/zinc/85/18/98/134851898.db2.gz MBRJHCJYKMGBLA-UHFFFAOYSA-N 1 0 274.452 4.203 20 10 CICDRO COc1ccccc1[C@H](C)[NH2+][C@H](C)c1ccc(C)cc1O ZINC000020097064 170996522 /nfs/dbraw/zinc/99/65/22/170996522.db2.gz WHZOUPIEPGUPRN-KGLIPLIRSA-N 1 0 285.387 4.121 20 10 CICDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)c1ccc(Cl)cc1 ZINC000020121923 171002284 /nfs/dbraw/zinc/00/22/84/171002284.db2.gz NAEZAQYWXRKBDS-NEPJUHHUSA-N 1 0 275.779 4.457 20 10 CICDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cccc(Cl)c1 ZINC000020124148 171006337 /nfs/dbraw/zinc/00/63/37/171006337.db2.gz FWYSDXVRQMLYAX-CYBMUJFWSA-N 1 0 288.822 4.257 20 10 CICDRO Cc1ccccc1[C@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000020126171 171009698 /nfs/dbraw/zinc/00/96/98/171009698.db2.gz IHGHBKINRDQWIQ-UONOGXRCSA-N 1 0 255.361 4.112 20 10 CICDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCc3ccccc32)c(O)c1 ZINC000020130130 171018946 /nfs/dbraw/zinc/01/89/46/171018946.db2.gz IWGGBDIKLMWJEF-SUMWQHHRSA-N 1 0 267.372 4.039 20 10 CICDRO C[C@H](CCc1ccccc1)[NH2+][C@@H](C)c1ccccc1O ZINC000020138362 171026142 /nfs/dbraw/zinc/02/61/42/171026142.db2.gz MQLVVFOPOIDWSV-CABCVRRESA-N 1 0 269.388 4.064 20 10 CICDRO C[C@@H]([NH2+]Cc1cccs1)c1ccc2ccccc2c1O ZINC000020139024 171026271 /nfs/dbraw/zinc/02/62/71/171026271.db2.gz CRFPLMSGLQEASJ-GFCCVEGCSA-N 1 0 283.396 4.458 20 10 CICDRO CC[C@H]([NH2+][C@@H]1CCCc2occc21)c1ccccc1O ZINC000020204638 171069238 /nfs/dbraw/zinc/06/92/38/171069238.db2.gz WMBRLJDXGTVIDS-LSDHHAIUSA-N 1 0 271.360 4.104 20 10 CICDRO CC[C@H]([NH2+]Cc1ccc(Cl)cc1)c1ccccc1O ZINC000020209819 171073099 /nfs/dbraw/zinc/07/30/99/171073099.db2.gz JCQYDABBKKKWJG-HNNXBMFYSA-N 1 0 275.779 4.287 20 10 CICDRO Cc1ccc(O)c([C@H](C)[NH2+]CCCOC2CCCCC2)c1 ZINC000035628928 172307840 /nfs/dbraw/zinc/30/78/40/172307840.db2.gz GFMMQQSGWMYKFH-HNNXBMFYSA-N 1 0 291.435 4.091 20 10 CICDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCc3ccccc32)c1 ZINC000035628840 172307904 /nfs/dbraw/zinc/30/79/04/172307904.db2.gz MMAWQCVVAZZHGW-KSSFIOAISA-N 1 0 281.399 4.429 20 10 CICDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(F)cc2F)c(O)c1 ZINC000036952679 260056460 /nfs/dbraw/zinc/05/64/60/260056460.db2.gz SLHDVZDBESMQJU-VXGBXAGGSA-N 1 0 291.341 4.391 20 10 CICDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000037185762 260072830 /nfs/dbraw/zinc/07/28/30/260072830.db2.gz BVGRDHRWLBRNTG-LSDHHAIUSA-N 1 0 268.404 4.164 20 10 CICDRO CCc1nc([C@H](C)[NH2+][C@H](CC)c2ccccc2O)cs1 ZINC000155789011 261107222 /nfs/dbraw/zinc/10/72/22/261107222.db2.gz JSNPCAKFHXFNCQ-WCQYABFASA-N 1 0 290.432 4.213 20 10 CICDRO CC[C@@H]([NH2+]C1(c2cccc(F)c2)CC1)c1ccccc1O ZINC000157320307 261144147 /nfs/dbraw/zinc/14/41/47/261144147.db2.gz UGLJLDVXUBMYBY-MRXNPFEDSA-N 1 0 285.362 4.261 20 10 CICDRO CC[C@@H]([NH2+]C[C@@H](C)c1nc(C)cs1)c1ccccc1O ZINC000158092241 261158419 /nfs/dbraw/zinc/15/84/19/261158419.db2.gz HWFBMWLBUHCFQT-BXUZGUMPSA-N 1 0 290.432 4.002 20 10 CICDRO CC[C@@H]([NH2+][C@H](CC)c1ccc(N(C)C)cc1)c1ccncc1 ZINC000163713395 261326069 /nfs/dbraw/zinc/32/60/69/261326069.db2.gz YKTHBQXGAMNPJV-RTBURBONSA-N 1 0 297.446 4.340 20 10 CICDRO CC(C)Oc1ccccc1C[NH2+][C@@H](C)c1ccccc1O ZINC000179874937 261821163 /nfs/dbraw/zinc/82/11/63/261821163.db2.gz IFQWTWSJATYHGD-AWEZNQCLSA-N 1 0 285.387 4.030 20 10 CICDRO C[C@H]([NH2+][C@H]1CCc2cc(F)ccc21)c1cc(F)ccc1O ZINC000185216776 262045740 /nfs/dbraw/zinc/04/57/40/262045740.db2.gz RDRAMCUCCKABEI-QFYYESIMSA-N 1 0 289.325 4.009 20 10 CICDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCc3cc(F)ccc32)c(O)c1 ZINC000185216569 262046312 /nfs/dbraw/zinc/04/63/12/262046312.db2.gz PDHFDKSXFYRESS-YVEFUNNKSA-N 1 0 285.362 4.178 20 10 CICDRO COCCCCC[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000185233105 262302588 /nfs/dbraw/zinc/30/25/88/262302588.db2.gz YMIAVEOSDUYZRL-AWEZNQCLSA-N 1 0 287.403 4.013 20 10 CICDRO CCCC[N@H+](Cc1ccccc1O)[C@H](C)c1cccnc1 ZINC000282477705 263077054 /nfs/dbraw/zinc/07/70/54/263077054.db2.gz OKBBBPUSAHLGOC-OAHLLOKOSA-N 1 0 284.403 4.151 20 10 CICDRO CC[C@H](c1ccccc1O)[N@@H+]1CCC[C@H]1c1nccs1 ZINC000367379257 266826226 /nfs/dbraw/zinc/82/62/26/266826226.db2.gz ZJEKOMGUZANUOC-KGLIPLIRSA-N 1 0 288.416 4.137 20 10 CICDRO C[C@H]([NH2+]Cc1ccc(C(F)F)cc1)c1cc(F)ccc1O ZINC000185354361 327838478 /nfs/dbraw/zinc/83/84/78/327838478.db2.gz VAVHYKKTYXRLNC-JTQLQIEISA-N 1 0 295.304 4.320 20 10 CICDRO CC[C@H]([NH2+][C@@H]1CCOc2c(C)cccc21)c1ccccc1O ZINC000189366625 329380032 /nfs/dbraw/zinc/38/00/32/329380032.db2.gz ALRVKMIHNKRKRM-DLBZAZTESA-N 1 0 297.398 4.265 20 10 CICDRO COc1ccc(O)c(C[NH2+][C@H](c2cccc(C)c2)C(C)C)c1 ZINC000527867546 330285722 /nfs/dbraw/zinc/28/57/22/330285722.db2.gz JMGLMQZKNIHFAH-IBGZPJMESA-N 1 0 299.414 4.196 20 10 CICDRO C[C@@H]([NH2+]CC[C@H]1CCCOC1)c1ccc2ccccc2c1O ZINC000527935173 330297941 /nfs/dbraw/zinc/29/79/41/330297941.db2.gz YAKSBAZQTDZVHV-HUUCEWRRSA-N 1 0 299.414 4.013 20 10 CICDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H](C)CCC(F)(F)F ZINC000475203350 331617997 /nfs/dbraw/zinc/61/79/97/331617997.db2.gz OYHSSJVQDKKFIF-NSHDSACASA-N 1 0 298.352 4.307 20 10 CICDRO Cc1sccc1C[NH2+]Cc1c(C)c2ccccc2n1C ZINC000555583692 334482884 /nfs/dbraw/zinc/48/28/84/334482884.db2.gz UKUSVMGVQQBYFR-UHFFFAOYSA-N 1 0 284.428 4.146 20 10 CICDRO COc1ccc(C)cc1[C@H](C)[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000273302332 334763965 /nfs/dbraw/zinc/76/39/65/334763965.db2.gz BRRBWXBCXOUPRQ-GJZGRUSLSA-N 1 0 299.414 4.429 20 10 CICDRO CCC[C@H]([NH2+]Cc1cccc(OC)c1O)c1ccccc1 ZINC000037062499 521163083 /nfs/dbraw/zinc/16/30/83/521163083.db2.gz IMHJZTBOQOCHRN-INIZCTEOSA-N 1 0 285.387 4.032 20 10 CICDRO CC[C@H]([NH2+]C[C@H](C)c1nccs1)c1ccc(C)cc1O ZINC000279977656 522625898 /nfs/dbraw/zinc/62/58/98/522625898.db2.gz DJBPRQSENTZEDU-JSGCOSHPSA-N 1 0 290.432 4.002 20 10 CICDRO CC[C@H]([NH2+]Cc1ccc(C)s1)c1ccccc1O ZINC000050225133 522645636 /nfs/dbraw/zinc/64/56/36/522645636.db2.gz BUUUMZIFYSGLCU-AWEZNQCLSA-N 1 0 261.390 4.003 20 10 CICDRO CC[C@H]([NH2+]Cc1cccc(F)c1)c1ccc(C)cc1O ZINC000279985255 522652419 /nfs/dbraw/zinc/65/24/19/522652419.db2.gz DXZRLTGWGVYEMC-INIZCTEOSA-N 1 0 273.351 4.081 20 10 CICDRO CC[C@H]([NH2+]Cc1sc(C)nc1C)c1ccc(C)cc1O ZINC000279935403 522673943 /nfs/dbraw/zinc/67/39/43/522673943.db2.gz AYGNLNNZXUUMCI-AWEZNQCLSA-N 1 0 290.432 4.015 20 10 CICDRO CC[C@H]([NH2+][C@H](C)c1ccc(F)c(F)c1)c1ccccc1O ZINC000036953106 522739116 /nfs/dbraw/zinc/73/91/16/522739116.db2.gz YWFPEYXAIBYPRT-BZNIZROVSA-N 1 0 291.341 4.472 20 10 CICDRO CC[C@@H]([NH2+][C@@H]1CCCc2occc21)c1ccc(C)cc1O ZINC000280016707 522924075 /nfs/dbraw/zinc/92/40/75/522924075.db2.gz HCDBGONEWTYGBB-HZPDHXFCSA-N 1 0 285.387 4.412 20 10 CICDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCCc3ccccc32)c1 ZINC000120513296 524766245 /nfs/dbraw/zinc/76/62/45/524766245.db2.gz HATUPEMSPJXCRZ-ACJLOTCBSA-N 1 0 297.398 4.129 20 10 CICDRO Cc1ccc(O)c(C[NH2+][C@H]2CCSc3ccccc32)c1 ZINC000071407825 525354252 /nfs/dbraw/zinc/35/42/52/525354252.db2.gz CBLUTFDOEVKYHE-HNNXBMFYSA-N 1 0 285.412 4.027 20 10 CICDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCc3sccc32)c1 ZINC000061360004 525365544 /nfs/dbraw/zinc/36/55/44/525365544.db2.gz DJOXINOMIUJALQ-WFASDCNBSA-N 1 0 287.428 4.490 20 10 CICDRO Cc1cc([C@@H](C)[NH2+]Cc2cc(C)ccc2O)c(C)s1 ZINC000071407795 525466713 /nfs/dbraw/zinc/46/67/13/525466713.db2.gz MBVPURRLOGHVFE-GFCCVEGCSA-N 1 0 275.417 4.230 20 10 CICDRO C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1F)c1ccccc1O ZINC000036952866 525531273 /nfs/dbraw/zinc/53/12/73/525531273.db2.gz ORVFBDNRJDALFO-QWRGUYRKSA-N 1 0 277.314 4.082 20 10 CICDRO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1F)c1ccccc1O ZINC000036952867 525608339 /nfs/dbraw/zinc/60/83/39/525608339.db2.gz ORVFBDNRJDALFO-WDEREUQCSA-N 1 0 277.314 4.082 20 10 CICDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)c1ccc(F)c(F)c1 ZINC000036953217 525613538 /nfs/dbraw/zinc/61/35/38/525613538.db2.gz CDSRBWLDLGGWBM-MNOVXSKESA-N 1 0 277.314 4.082 20 10 CICDRO C[C@@H]([NH2+][C@@H]1CCCc2sccc21)c1cc(F)ccc1O ZINC000094618124 525640480 /nfs/dbraw/zinc/64/04/80/525640480.db2.gz VAQORAAUOVHBDD-QMTHXVAHSA-N 1 0 291.391 4.321 20 10 CICDRO Cc1ccc([C@@H](C)[NH2+]Cc2cc(Cl)ccc2O)s1 ZINC000049158270 525729947 /nfs/dbraw/zinc/72/99/47/525729947.db2.gz UDGQPUXEGKHCPE-SNVBAGLBSA-N 1 0 281.808 4.266 20 10 CICDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC(F)(F)C2)c(O)c1C ZINC000281082432 525926333 /nfs/dbraw/zinc/92/63/33/525926333.db2.gz JKMJJBUXLOUYLD-STQMWFEESA-N 1 0 283.362 4.095 20 10 CICDRO C[C@@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1ccccc1Cl ZINC000295962356 533528327 /nfs/dbraw/zinc/52/83/27/533528327.db2.gz MDXAPLAHENAKET-IAQYHMDHSA-N 1 0 287.790 4.384 20 10 CICDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCc3occc32)c(O)c1 ZINC000020205080 171070787 /nfs/dbraw/zinc/07/07/87/171070787.db2.gz OOIJQEDHEQRZNO-DOMZBBRYSA-N 1 0 271.360 4.022 20 10 CICDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCc3occc32)c(O)c1 ZINC000020205075 171070821 /nfs/dbraw/zinc/07/08/21/171070821.db2.gz OOIJQEDHEQRZNO-IUODEOHRSA-N 1 0 271.360 4.022 20 10 CICDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc(C)cc1 ZINC000021009236 171285789 /nfs/dbraw/zinc/28/57/89/171285789.db2.gz TWMKLPOOPPJUND-LJQANCHMSA-N 1 0 282.431 4.302 20 10 CICDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc(C)cc1 ZINC000021009237 171286099 /nfs/dbraw/zinc/28/60/99/171286099.db2.gz TWMKLPOOPPJUND-IBGZPJMESA-N 1 0 282.431 4.302 20 10 CICDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)cc2O)c1 ZINC000037771620 260116347 /nfs/dbraw/zinc/11/63/47/260116347.db2.gz PVQVGIGFLOSUSQ-KGLIPLIRSA-N 1 0 285.387 4.121 20 10 CICDRO CCOCc1ccc(C[NH2+][C@@H](CC)c2ccccc2O)cc1 ZINC000155086743 261097517 /nfs/dbraw/zinc/09/75/17/261097517.db2.gz HWJWSOGDXGXRMK-SFHVURJKSA-N 1 0 299.414 4.170 20 10 CICDRO CC[C@H]([NH2+][C@@H]1CCCOc2ccccc21)c1ccccc1O ZINC000155514549 261102931 /nfs/dbraw/zinc/10/29/31/261102931.db2.gz ZPSLQOPKRTYIFB-DLBZAZTESA-N 1 0 297.398 4.347 20 10 CICDRO CC[C@@H]([NH2+][C@@H](C)c1cccc(F)c1F)c1ccccc1O ZINC000156995863 261137165 /nfs/dbraw/zinc/13/71/65/261137165.db2.gz MYJHDWYMKVZESH-XHDPSFHLSA-N 1 0 291.341 4.472 20 10 CICDRO C[C@@H]([NH2+][C@@H]1CCCc2occc21)c1cc(Cl)ccc1O ZINC000184996664 262036622 /nfs/dbraw/zinc/03/66/22/262036622.db2.gz ZASBQNHWAPZHGZ-QMTHXVAHSA-N 1 0 291.778 4.367 20 10 CICDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCc3cc(F)ccc32)c(O)c1 ZINC000185216547 262045847 /nfs/dbraw/zinc/04/58/47/262045847.db2.gz PDHFDKSXFYRESS-SJKOYZFVSA-N 1 0 285.362 4.178 20 10 CICDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCOc3ccccc32)c(O)c1 ZINC000185270975 262048046 /nfs/dbraw/zinc/04/80/46/262048046.db2.gz RWSDAMCGSXFNRF-PBHICJAKSA-N 1 0 297.398 4.265 20 10 CICDRO Cc1ccc([C@H](C)[NH2+][C@H](c2ncccc2C)C(C)C)c(O)c1 ZINC000185458157 262054813 /nfs/dbraw/zinc/05/48/13/262054813.db2.gz RHKMCSJRWXIMCH-YJBOKZPZSA-N 1 0 298.430 4.452 20 10 CICDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cccc(F)c2F)c(O)c1 ZINC000186208197 262084336 /nfs/dbraw/zinc/08/43/36/262084336.db2.gz ICMDZIDZDYHCDP-VXGBXAGGSA-N 1 0 291.341 4.391 20 10 CICDRO C[C@@H]([NH2+][C@@H](C)c1ccc2ccccc2c1O)C1CCOCC1 ZINC000185782812 262308849 /nfs/dbraw/zinc/30/88/49/262308849.db2.gz QAYCDYNMEZBPLU-KGLIPLIRSA-N 1 0 299.414 4.011 20 10 CICDRO CCc1nc([C@H](C)[NH2+][C@H](C)c2cc(C)ccc2O)cs1 ZINC000185425273 327839936 /nfs/dbraw/zinc/83/99/36/327839936.db2.gz OMTVNKSFWCVTGB-NEPJUHHUSA-N 1 0 290.432 4.131 20 10 CICDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C(F)F)cc2)c(O)c1 ZINC000185352731 327838476 /nfs/dbraw/zinc/83/84/76/327838476.db2.gz KOWLFHNESYTOLX-GFCCVEGCSA-N 1 0 291.341 4.489 20 10 CICDRO CC[C@H]([NH2+][C@@H](C)c1ccc(OC)cc1)c1ccccc1O ZINC000090339841 327094369 /nfs/dbraw/zinc/09/43/69/327094369.db2.gz PJAXJRLOSRUEFS-GUYCJALGSA-N 1 0 285.387 4.203 20 10 CICDRO CC[C@@H]([NH2+][C@H](C)c1ccc(OC)cc1)c1ccccc1O ZINC000090339844 327094373 /nfs/dbraw/zinc/09/43/73/327094373.db2.gz PJAXJRLOSRUEFS-CXAGYDPISA-N 1 0 285.387 4.203 20 10 CICDRO CCCO[C@H]1CCC[N@@H+]([C@@H](CC)c2ccccc2O)CC1 ZINC000377654873 329023075 /nfs/dbraw/zinc/02/30/75/329023075.db2.gz UZLAMHMJAPOEAP-RDJZCZTQSA-N 1 0 291.435 4.124 20 10 CICDRO CC[C@H](c1ccccc1O)[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000377689256 329024854 /nfs/dbraw/zinc/02/48/54/329024854.db2.gz DGVTWGCRJOGTQD-IAGOWNOFSA-N 1 0 282.387 4.075 20 10 CICDRO COc1ccc(O)c(C[NH2+][C@@H](c2cccc(C)c2)C(C)C)c1 ZINC000527867547 330285733 /nfs/dbraw/zinc/28/57/33/330285733.db2.gz JMGLMQZKNIHFAH-LJQANCHMSA-N 1 0 299.414 4.196 20 10 CICDRO CC[C@@H]([NH2+]Cc1cc(OC)ccc1O)c1cc(C)ccc1C ZINC000527869899 330286144 /nfs/dbraw/zinc/28/61/44/330286144.db2.gz OWWUOAVLNAZJKT-GOSISDBHSA-N 1 0 299.414 4.259 20 10 CICDRO Oc1cccc2c1[C@@H]([NH2+][C@@H]1CCc3cc(Cl)ccc31)CC2 ZINC000527995163 330299482 /nfs/dbraw/zinc/29/94/82/330299482.db2.gz ULKHJXFUJQPTHB-CVEARBPZSA-N 1 0 299.801 4.310 20 10 CICDRO Cc1cc([C@@H](C)[NH2+]Cc2cc(F)ccc2O)c(C)s1 ZINC000226583844 333265537 /nfs/dbraw/zinc/26/55/37/333265537.db2.gz NYPMKKVUSPKKOQ-SNVBAGLBSA-N 1 0 279.380 4.060 20 10 CICDRO CC(C)Oc1cccc([C@@H](C)[NH2+]Cc2ccccc2O)c1 ZINC000036997360 519783448 /nfs/dbraw/zinc/78/34/48/519783448.db2.gz SIKPVPAPMRXPGW-CQSZACIVSA-N 1 0 285.387 4.030 20 10 CICDRO CCC[C@@H]([NH2+]Cc1cccc(OC)c1O)c1ccccc1 ZINC000037062500 520783425 /nfs/dbraw/zinc/78/34/25/520783425.db2.gz IMHJZTBOQOCHRN-MRXNPFEDSA-N 1 0 285.387 4.032 20 10 CICDRO CCSc1cccc(C[NH2+][C@@H](C)c2ccccc2O)c1 ZINC000293777805 521760162 /nfs/dbraw/zinc/76/01/62/521760162.db2.gz SZUQBJQCOARACS-ZDUSSCGKSA-N 1 0 287.428 4.355 20 10 CICDRO CCSc1cccc(C[NH2+][C@H](C)c2ccccc2O)c1 ZINC000293777796 521761012 /nfs/dbraw/zinc/76/10/12/521761012.db2.gz SZUQBJQCOARACS-CYBMUJFWSA-N 1 0 287.428 4.355 20 10 CICDRO CC[C@H]([NH2+]Cc1ccc(F)cc1)c1ccc(C)cc1O ZINC000280108487 522644969 /nfs/dbraw/zinc/64/49/69/522644969.db2.gz NMIXPPHLXASVGF-INIZCTEOSA-N 1 0 273.351 4.081 20 10 CICDRO CC[C@H]([NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1)c1ccccc1O ZINC000274805854 522720898 /nfs/dbraw/zinc/72/08/98/522720898.db2.gz WPEJAVVHUKUMTO-KMFMINBZSA-N 1 0 291.435 4.027 20 10 CICDRO CC[C@H]([NH2+][C@H](COC)c1ccccc1)c1ccc(C)cc1O ZINC000279970059 522748786 /nfs/dbraw/zinc/74/87/86/522748786.db2.gz CWWPWHYXYONZOS-ZWKOTPCHSA-N 1 0 299.414 4.129 20 10 CICDRO CC[C@H]([NH2+][C@H]1CCCc2occc21)c1ccc(C)cc1O ZINC000280016703 522754655 /nfs/dbraw/zinc/75/46/55/522754655.db2.gz HCDBGONEWTYGBB-HOTGVXAUSA-N 1 0 285.387 4.412 20 10 CICDRO CC[C@H]([NH2+][C@H]1CCc2c1cccc2O)c1ccc(C)cc1O ZINC000280153952 522759115 /nfs/dbraw/zinc/75/91/15/522759115.db2.gz QHGSVXHHQDAXGF-IRXDYDNUSA-N 1 0 297.398 4.134 20 10 CICDRO CC[C@@H]([NH2+]C[C@H](C)c1nccs1)c1ccc(C)cc1O ZINC000279977654 522862556 /nfs/dbraw/zinc/86/25/56/522862556.db2.gz DJBPRQSENTZEDU-GXTWGEPZSA-N 1 0 290.432 4.002 20 10 CICDRO CC[C@@H]([NH2+][C@H](CC)c1ccc(C)cc1O)c1ccncc1 ZINC000280097370 522942750 /nfs/dbraw/zinc/94/27/50/522942750.db2.gz MVJFUAOCONVKBX-IAGOWNOFSA-N 1 0 284.403 4.288 20 10 CICDRO C[C@H]([NH2+]CC1CC(F)(F)C1)c1ccc2ccccc2c1O ZINC000293261959 525322293 /nfs/dbraw/zinc/32/22/93/525322293.db2.gz BZNPZVFSOVUPBA-NSHDSACASA-N 1 0 291.341 4.241 20 10 CICDRO Cc1cc([C@H](C)[NH2+]Cc2cc(C)ccc2O)c(C)s1 ZINC000071407793 525521434 /nfs/dbraw/zinc/52/14/34/525521434.db2.gz MBVPURRLOGHVFE-LBPRGKRZSA-N 1 0 275.417 4.230 20 10 CICDRO C[C@@H]([NH2+]Cc1ccccc1C(F)(F)F)c1ccccc1O ZINC000061626119 525537177 /nfs/dbraw/zinc/53/71/77/525537177.db2.gz ZPCJODUMOIQQPA-LLVKDONJSA-N 1 0 295.304 4.262 20 10 CICDRO C[C@H]([NH2+][C@@H](c1ccccc1)C1CC1)c1ccccc1O ZINC000037075383 525545562 /nfs/dbraw/zinc/54/55/62/525545562.db2.gz IJEIHKTWFRKNSO-UGSOOPFHSA-N 1 0 267.372 4.194 20 10 CICDRO C[C@H]([NH2+][C@@H](c1ccccc1)C1CC1)c1cc(F)ccc1O ZINC000094617411 525547029 /nfs/dbraw/zinc/54/70/29/525547029.db2.gz MCKPTFUHOHEYJH-SGTLLEGYSA-N 1 0 285.362 4.333 20 10 CICDRO C[C@@H]([NH2+][C@@H](c1ccccc1)C1CC1)c1cc(F)ccc1O ZINC000094617412 525629190 /nfs/dbraw/zinc/62/91/90/525629190.db2.gz MCKPTFUHOHEYJH-XIKOKIGWSA-N 1 0 285.362 4.333 20 10 CICDRO C[C@@H]([NH2+][C@H](C)c1c(F)cccc1F)c1cc(F)ccc1O ZINC000094617672 525657755 /nfs/dbraw/zinc/65/77/55/525657755.db2.gz FVBTUDUKBZMODC-NXEZZACHSA-N 1 0 295.304 4.221 20 10 CICDRO C[C@@H]([NH2+][C@H]1CCCc2occc21)c1ccc(N(C)C)cc1 ZINC000037241860 525681881 /nfs/dbraw/zinc/68/18/81/525681881.db2.gz GXGJYAQPLVYKHO-DYVFJYSZSA-N 1 0 284.403 4.074 20 10 CICDRO Cc1ccoc1C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000293238567 525804727 /nfs/dbraw/zinc/80/47/27/525804727.db2.gz BELROOOJVNNEDJ-ZDUSSCGKSA-N 1 0 285.387 4.023 20 10 CICDRO C[C@H]([NH2+][C@@H](C)c1ccccc1O)c1ccc(Cl)cc1 ZINC000020121924 171001801 /nfs/dbraw/zinc/00/18/01/171001801.db2.gz NAEZAQYWXRKBDS-RYUDHWBXSA-N 1 0 275.779 4.457 20 10 CICDRO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1)c1ccccc1O ZINC000020121926 171002065 /nfs/dbraw/zinc/00/20/65/171002065.db2.gz NAEZAQYWXRKBDS-NWDGAFQWSA-N 1 0 275.779 4.457 20 10 CICDRO C[C@H]([NH2+][C@@H](C)c1ccccc1Cl)c1ccccc1O ZINC000020124033 171005806 /nfs/dbraw/zinc/00/58/06/171005806.db2.gz MWUDCCSXPCIQOW-RYUDHWBXSA-N 1 0 275.779 4.457 20 10 CICDRO C[C@@H]([NH2+][C@@H](C)c1cccc(Cl)c1)c1ccccc1O ZINC000020124221 171006086 /nfs/dbraw/zinc/00/60/86/171006086.db2.gz AHYRRIUVGZSXTN-NWDGAFQWSA-N 1 0 275.779 4.457 20 10 CICDRO Cc1ccc([C@H](C)[NH2+]CCCOC2CCCCC2)c(O)c1 ZINC000020191606 171057472 /nfs/dbraw/zinc/05/74/72/171057472.db2.gz QTEVKEBPWIYVCR-HNNXBMFYSA-N 1 0 291.435 4.091 20 10 CICDRO CC[C@@H]([NH2+]Cc1ccc(Cl)cc1)c1ccccc1O ZINC000020209816 171072874 /nfs/dbraw/zinc/07/28/74/171072874.db2.gz JCQYDABBKKKWJG-OAHLLOKOSA-N 1 0 275.779 4.287 20 10 CICDRO COc1cccc([C@H](C)[NH2+][C@H](C)c2cc(C)ccc2O)c1 ZINC000037771603 260116301 /nfs/dbraw/zinc/11/63/01/260116301.db2.gz TZYWIHFFAYUVCZ-UONOGXRCSA-N 1 0 285.387 4.121 20 10 CICDRO C[C@H]([NH2+]Cc1ccco1)c1ccc(N2CCCCC2)cc1 ZINC000152047185 261058707 /nfs/dbraw/zinc/05/87/07/261058707.db2.gz GVJIRORXKYHRTA-HNNXBMFYSA-N 1 0 284.403 4.121 20 10 CICDRO CC[C@H]([NH2+]Cc1ccc(F)c(C)c1)c1ccccc1O ZINC000154974286 261096589 /nfs/dbraw/zinc/09/65/89/261096589.db2.gz ZTYMFCGIXZVNQJ-INIZCTEOSA-N 1 0 273.351 4.081 20 10 CICDRO CCc1nc([C@@H](C)[NH2+][C@@H](CC)c2ccccc2O)cs1 ZINC000155788670 261107353 /nfs/dbraw/zinc/10/73/53/261107353.db2.gz JSNPCAKFHXFNCQ-YPMHNXCESA-N 1 0 290.432 4.213 20 10 CICDRO CC[C@H]([NH2+]C1(c2cccc(F)c2)CC1)c1ccccc1O ZINC000157320161 261144495 /nfs/dbraw/zinc/14/44/95/261144495.db2.gz UGLJLDVXUBMYBY-INIZCTEOSA-N 1 0 285.362 4.261 20 10 CICDRO Cc1cccc([C@H](C)[NH2+][C@H](C)c2ccccc2O)c1C ZINC000183515201 261978183 /nfs/dbraw/zinc/97/81/83/261978183.db2.gz ZLJUPHQMMJFDTB-LSDHHAIUSA-N 1 0 269.388 4.421 20 10 CICDRO C[C@@H]([NH2+]CCC[C@@H]1CCCCO1)c1cc(Cl)ccc1O ZINC000184000226 262004395 /nfs/dbraw/zinc/00/43/95/262004395.db2.gz GEHRBJVAKNZNPG-OCCSQVGLSA-N 1 0 297.826 4.046 20 10 CICDRO COc1ccc(O)c([C@H](C)[NH2+]C2(c3ccccc3)CCC2)c1 ZINC000186292665 262088212 /nfs/dbraw/zinc/08/82/12/262088212.db2.gz UCAMVFKPWQICNS-AWEZNQCLSA-N 1 0 297.398 4.131 20 10 CICDRO C[C@H]([NH2+][C@@H](C)C1CCOCC1)c1ccc2ccccc2c1O ZINC000185782775 262308781 /nfs/dbraw/zinc/30/87/81/262308781.db2.gz QAYCDYNMEZBPLU-KBPBESRZSA-N 1 0 299.414 4.011 20 10 CICDRO CCCC[N@H+](Cc1ccccc1O)[C@@H](C)c1cccnc1 ZINC000282477704 263076899 /nfs/dbraw/zinc/07/68/99/263076899.db2.gz OKBBBPUSAHLGOC-HNNXBMFYSA-N 1 0 284.403 4.151 20 10 CICDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2nc(C(C)C)cs2)c1 ZINC000185807834 327845879 /nfs/dbraw/zinc/84/58/79/327845879.db2.gz UYPRPKIPKDFGGL-LBPRGKRZSA-N 1 0 290.432 4.131 20 10 CICDRO CC[C@H](c1ccccc1O)[N@@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000377654345 329023099 /nfs/dbraw/zinc/02/30/99/329023099.db2.gz TYSKDNSNWDKBSS-MSOLQXFVSA-N 1 0 296.414 4.384 20 10 CICDRO CC[C@@H](c1ccccc1O)[N@H+](C)[C@H]1CCCc2cccnc21 ZINC000377708780 329026221 /nfs/dbraw/zinc/02/62/21/329026221.db2.gz XYUIJAWYBODPKA-IRXDYDNUSA-N 1 0 296.414 4.248 20 10 CICDRO Cc1cc(C)c2c(c1)[C@H]([NH2+][C@H](C)c1ccccc1O)CCO2 ZINC000378634308 329057084 /nfs/dbraw/zinc/05/70/84/329057084.db2.gz CBIGEDJJOWREQI-RHSMWYFYSA-N 1 0 297.398 4.183 20 10 CICDRO Cc1ccc(O)c(C[NH2+][C@H]2CCc3cc(Cl)ccc32)c1 ZINC000527795551 330283971 /nfs/dbraw/zinc/28/39/71/330283971.db2.gz PMYIGGMAHZFUBA-INIZCTEOSA-N 1 0 287.790 4.131 20 10 CICDRO Cc1cccc([C@H]([NH2+]Cc2ccccc2O)C(C)C)c1 ZINC000527813539 330284921 /nfs/dbraw/zinc/28/49/21/330284921.db2.gz MIAGQVSUZIWYPC-GOSISDBHSA-N 1 0 269.388 4.188 20 10 CICDRO C[C@@H]([NH2+]CC[C@@H]1CCCOC1)c1ccc2ccccc2c1O ZINC000527935165 330297851 /nfs/dbraw/zinc/29/78/51/330297851.db2.gz YAKSBAZQTDZVHV-CABCVRRESA-N 1 0 299.414 4.013 20 10 CICDRO C[C@H]([NH2+][C@@H]1[C@H](C)O[C@@H](C)[C@H]1C)c1ccc2ccccc2c1O ZINC000528003509 330300352 /nfs/dbraw/zinc/30/03/52/330300352.db2.gz OSCBUGDNDDLNKK-LLLAAFKUSA-N 1 0 299.414 4.008 20 10 CICDRO Cc1ccc([C@H](C)[NH2+][C@@H](c2ccccn2)C2CCC2)c(O)c1 ZINC000527968548 330301373 /nfs/dbraw/zinc/30/13/73/330301373.db2.gz RXZWEFKOYCJFHQ-IFXJQAMLSA-N 1 0 296.414 4.288 20 10 CICDRO Cc1ccc([C@@H](C)[NH2+][C@H](c2ccccn2)C2CCC2)c(O)c1 ZINC000527968551 330301440 /nfs/dbraw/zinc/30/14/40/330301440.db2.gz RXZWEFKOYCJFHQ-KUHUBIRLSA-N 1 0 296.414 4.288 20 10 CICDRO CCOc1cccc(C[NH2+][C@@H](c2ccccc2)C2CC2)c1O ZINC000236931945 333376625 /nfs/dbraw/zinc/37/66/25/333376625.db2.gz VRWGUQSGCNRWOV-SFHVURJKSA-N 1 0 297.398 4.032 20 10 CICDRO Cc1cc(C[NH2+]Cc2c(C)c3ccccc3n2C)cs1 ZINC000381283991 336057931 /nfs/dbraw/zinc/05/79/31/336057931.db2.gz LXJWFAINXVJXLM-UHFFFAOYSA-N 1 0 284.428 4.146 20 10 CICDRO CC[C@H]([NH2+]C1(c2ccccc2)CC1)c1ccccc1O ZINC000274763109 522560358 /nfs/dbraw/zinc/56/03/58/522560358.db2.gz KQYIETPSSCBTAW-INIZCTEOSA-N 1 0 267.372 4.122 20 10 CICDRO CC[C@H]([NH2+][C@@H]1CCc2c1cccc2O)c1ccc(C)cc1O ZINC000280153946 522725044 /nfs/dbraw/zinc/72/50/44/522725044.db2.gz QHGSVXHHQDAXGF-DLBZAZTESA-N 1 0 297.398 4.134 20 10 CICDRO CC[C@H]([NH2+][C@H]1CCO[C@H](CC(C)C)C1)c1ccccc1O ZINC000274725224 522758365 /nfs/dbraw/zinc/75/83/65/522758365.db2.gz ANCQBOFDZARPQW-UXLLHSPISA-N 1 0 291.435 4.027 20 10 CICDRO CC[C@@H]([NH2+]Cc1ccc(C)s1)c1ccccc1O ZINC000050225134 522874943 /nfs/dbraw/zinc/87/49/43/522874943.db2.gz BUUUMZIFYSGLCU-CQSZACIVSA-N 1 0 261.390 4.003 20 10 CICDRO CC[C@@H]([NH2+]Cc1ccccc1COC)c1ccc(C)cc1O ZINC000280115452 522885392 /nfs/dbraw/zinc/88/53/92/522885392.db2.gz NYEMWZARIOGAJA-GOSISDBHSA-N 1 0 299.414 4.088 20 10 CICDRO CC[C@@H]([NH2+][C@@H]1CCc2c1cccc2O)c1ccc(C)cc1O ZINC000280153949 522926962 /nfs/dbraw/zinc/92/69/62/522926962.db2.gz QHGSVXHHQDAXGF-IAGOWNOFSA-N 1 0 297.398 4.134 20 10 CICDRO COCc1ccccc1C[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000293222733 523106676 /nfs/dbraw/zinc/10/66/76/523106676.db2.gz AKSFAFVSJVCSOE-HNNXBMFYSA-N 1 0 299.414 4.006 20 10 CICDRO Cc1ccc(O)c(C[NH2+]Cc2cccc(C(F)(F)F)c2)c1 ZINC000071403815 525351913 /nfs/dbraw/zinc/35/19/13/525351913.db2.gz SJQJVTJZCRXVBW-UHFFFAOYSA-N 1 0 295.304 4.009 20 10 CICDRO C[C@H]([NH2+][C@H](c1ccccc1)C1CC1)c1ccccc1O ZINC000037075385 525598370 /nfs/dbraw/zinc/59/83/70/525598370.db2.gz IJEIHKTWFRKNSO-SCLBCKFNSA-N 1 0 267.372 4.194 20 10 CICDRO C[C@H]([NH2+][C@H]1CCSc2ccccc21)c1ccccc1O ZINC000037128140 525629162 /nfs/dbraw/zinc/62/91/62/525629162.db2.gz UHUJRJAAHLIXBL-WFASDCNBSA-N 1 0 285.412 4.280 20 10 CICDRO C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1F)c1ccccc1O ZINC000036952869 525659759 /nfs/dbraw/zinc/65/97/59/525659759.db2.gz ORVFBDNRJDALFO-GHMZBOCLSA-N 1 0 277.314 4.082 20 10 CICDRO Cc1ccc([C@H](C)[NH2+]Cc2cc(Cl)ccc2O)s1 ZINC000049158274 525926931 /nfs/dbraw/zinc/92/69/31/525926931.db2.gz UDGQPUXEGKHCPE-JTQLQIEISA-N 1 0 281.808 4.266 20 10 CICDRO C[C@@H]([NH2+][C@@H](c1ccco1)c1ccccc1)c1ccccc1O ZINC000192791599 533514107 /nfs/dbraw/zinc/51/41/07/533514107.db2.gz GBTWVPOWOZDJJH-AUUYWEPGSA-N 1 0 293.366 4.425 20 10 CICDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1Cl)c1ccccc1O ZINC000020124032 171005571 /nfs/dbraw/zinc/00/55/71/171005571.db2.gz MWUDCCSXPCIQOW-NWDGAFQWSA-N 1 0 275.779 4.457 20 10 CICDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccccc1Cl ZINC000020123968 171005717 /nfs/dbraw/zinc/00/57/17/171005717.db2.gz XHECINRCGWOAIM-CYBMUJFWSA-N 1 0 288.822 4.257 20 10 CICDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)c1cccc(Cl)c1 ZINC000020124218 171006284 /nfs/dbraw/zinc/00/62/84/171006284.db2.gz AHYRRIUVGZSXTN-NEPJUHHUSA-N 1 0 275.779 4.457 20 10 CICDRO C[C@H]([NH2+][C@@H]1CCCc2ccccc21)c1ccccc1O ZINC000020133560 171021081 /nfs/dbraw/zinc/02/10/81/171021081.db2.gz XCSJKTMVXOSLKM-SUMWQHHRSA-N 1 0 267.372 4.120 20 10 CICDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCc3ccccc32)c(O)c1 ZINC000020133805 171021676 /nfs/dbraw/zinc/02/16/76/171021676.db2.gz VIVWPXZNFBMOHL-KSSFIOAISA-N 1 0 281.399 4.429 20 10 CICDRO C[C@@H]([NH2+][C@@H](C)CCc1ccccc1)c1ccccc1O ZINC000020138366 171025871 /nfs/dbraw/zinc/02/58/71/171025871.db2.gz MQLVVFOPOIDWSV-LSDHHAIUSA-N 1 0 269.388 4.064 20 10 CICDRO C[C@@H](CCc1ccccc1)[NH2+][C@@H](C)c1ccccc1O ZINC000020138358 171026180 /nfs/dbraw/zinc/02/61/80/171026180.db2.gz MQLVVFOPOIDWSV-GJZGRUSLSA-N 1 0 269.388 4.064 20 10 CICDRO CN(C)c1ccc(C[NH2+][C@@H]2CCSc3ccccc32)cc1 ZINC000020146084 171032076 /nfs/dbraw/zinc/03/20/76/171032076.db2.gz BSJBUNXCOQGTNK-QGZVFWFLSA-N 1 0 298.455 4.079 20 10 CICDRO CC[C@@H]([NH2+][C@@H]1CCCc2occc21)c1ccccc1O ZINC000020204636 171069590 /nfs/dbraw/zinc/06/95/90/171069590.db2.gz WMBRLJDXGTVIDS-HUUCEWRRSA-N 1 0 271.360 4.104 20 10 CICDRO Cc1ccc(C)c([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2)c1 ZINC000021520182 171315775 /nfs/dbraw/zinc/31/57/75/171315775.db2.gz NGQJQDWWFHZKKI-INIZCTEOSA-N 1 0 282.431 4.220 20 10 CICDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)c1ccccc1 ZINC000037185761 260072744 /nfs/dbraw/zinc/07/27/44/260072744.db2.gz BVGRDHRWLBRNTG-CABCVRRESA-N 1 0 268.404 4.164 20 10 CICDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(F)cc2F)c(O)c1 ZINC000036952678 260056279 /nfs/dbraw/zinc/05/62/79/260056279.db2.gz SLHDVZDBESMQJU-RYUDHWBXSA-N 1 0 291.341 4.391 20 10 CICDRO C[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)c1ccccc1 ZINC000037185759 260072601 /nfs/dbraw/zinc/07/26/01/260072601.db2.gz BVGRDHRWLBRNTG-GJZGRUSLSA-N 1 0 268.404 4.164 20 10 CICDRO COc1cccc([C@H](C)[NH2+][C@@H](C)c2cc(C)ccc2O)c1 ZINC000037771604 260116271 /nfs/dbraw/zinc/11/62/71/260116271.db2.gz TZYWIHFFAYUVCZ-KBPBESRZSA-N 1 0 285.387 4.121 20 10 CICDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)c2cc(C)ccc2O)c1 ZINC000037771606 260116399 /nfs/dbraw/zinc/11/63/99/260116399.db2.gz TZYWIHFFAYUVCZ-KGLIPLIRSA-N 1 0 285.387 4.121 20 10 CICDRO CCc1nc([C@H](C)[NH2+][C@@H](CC)c2ccccc2O)cs1 ZINC000155788779 261107442 /nfs/dbraw/zinc/10/74/42/261107442.db2.gz JSNPCAKFHXFNCQ-AAEUAGOBSA-N 1 0 290.432 4.213 20 10 CICDRO CCc1nc([C@@H](C)[NH2+][C@H](CC)c2ccccc2O)cs1 ZINC000155788897 261107504 /nfs/dbraw/zinc/10/75/04/261107504.db2.gz JSNPCAKFHXFNCQ-DGCLKSJQSA-N 1 0 290.432 4.213 20 10 CICDRO CC[C@@H]([NH2+]CC1(CCOC)CCCC1)c1ccccc1O ZINC000156354793 261120786 /nfs/dbraw/zinc/12/07/86/261120786.db2.gz JHWRMWJBEIJOQY-MRXNPFEDSA-N 1 0 291.435 4.030 20 10 CICDRO CC[C@H]([NH2+]C[C@@H](C)c1nc(C)cs1)c1ccccc1O ZINC000158092087 261158726 /nfs/dbraw/zinc/15/87/26/261158726.db2.gz HWFBMWLBUHCFQT-RISCZKNCSA-N 1 0 290.432 4.002 20 10 CICDRO C[C@@H]([NH2+]Cc1ccoc1)c1ccc(N2CCCCC2)cc1 ZINC000178474118 261744384 /nfs/dbraw/zinc/74/43/84/261744384.db2.gz BDZCAILKGWOQQZ-OAHLLOKOSA-N 1 0 284.403 4.121 20 10 CICDRO C[C@H]([NH2+][C@@H]1CCc2cc(F)ccc21)c1cc(F)ccc1O ZINC000185216736 262046034 /nfs/dbraw/zinc/04/60/34/262046034.db2.gz RDRAMCUCCKABEI-MGPLVRAMSA-N 1 0 289.325 4.009 20 10 CICDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](c2ncccc2C)C(C)C)c1 ZINC000185457641 262055427 /nfs/dbraw/zinc/05/54/27/262055427.db2.gz WVHNDROKHSYFKS-CRAIPNDOSA-N 1 0 298.430 4.452 20 10 CICDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(F)c2F)c(O)c1 ZINC000186208158 262084462 /nfs/dbraw/zinc/08/44/62/262084462.db2.gz ICMDZIDZDYHCDP-NEPJUHHUSA-N 1 0 291.341 4.391 20 10 CICDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2cccc(F)c2F)c1 ZINC000186207771 262084777 /nfs/dbraw/zinc/08/47/77/262084777.db2.gz XVWSGVZLMSARCR-RYUDHWBXSA-N 1 0 291.341 4.391 20 10 CICDRO COc1ccc(O)c([C@@H](C)[NH2+]C2(c3ccccc3)CCC2)c1 ZINC000186292684 262088081 /nfs/dbraw/zinc/08/80/81/262088081.db2.gz UCAMVFKPWQICNS-CQSZACIVSA-N 1 0 297.398 4.131 20 10 CICDRO C[C@H]([NH2+]C1(c2ccccc2F)CC1)c1cc(F)ccc1O ZINC000186322871 262089022 /nfs/dbraw/zinc/08/90/22/262089022.db2.gz IBLDUOJMWJOMPW-NSHDSACASA-N 1 0 289.325 4.010 20 10 CICDRO Cc1cc(C[NH2+][C@@H](C)c2ccccc2O)ccc1Cl ZINC000186757927 262109047 /nfs/dbraw/zinc/10/90/47/262109047.db2.gz YPBDJXOHZQUIEJ-LBPRGKRZSA-N 1 0 275.779 4.205 20 10 CICDRO CCc1ccc(C[NH2+][C@@H](C)c2cc(C)ccc2O)s1 ZINC000185026319 262301283 /nfs/dbraw/zinc/30/12/83/262301283.db2.gz UPAKMLLMVWXBKO-LBPRGKRZSA-N 1 0 275.417 4.175 20 10 CICDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000377654347 329022992 /nfs/dbraw/zinc/02/29/92/329022992.db2.gz TYSKDNSNWDKBSS-ROUUACIJSA-N 1 0 296.414 4.384 20 10 CICDRO CC[C@@H]([NH2+][C@@H]1CCOc2c(C)cccc21)c1ccccc1O ZINC000189366645 329380151 /nfs/dbraw/zinc/38/01/51/329380151.db2.gz ALRVKMIHNKRKRM-IAGOWNOFSA-N 1 0 297.398 4.265 20 10 CICDRO CC[C@@H]([NH2+][C@@H](C)c1ncccc1F)c1ccc(C)cc1O ZINC000528036654 330302909 /nfs/dbraw/zinc/30/29/09/330302909.db2.gz WRZBEVAXNFIDBV-SWLSCSKDSA-N 1 0 288.366 4.037 20 10 CICDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H](C)c1cnccc1C ZINC000479447668 331730378 /nfs/dbraw/zinc/73/03/78/331730378.db2.gz CGVBITQFZPBEID-HNNXBMFYSA-N 1 0 293.414 4.041 20 10 CICDRO Cc1cc([C@H](C)[NH2+]Cc2cc(F)ccc2O)c(C)s1 ZINC000226583848 333265612 /nfs/dbraw/zinc/26/56/12/333265612.db2.gz NYPMKKVUSPKKOQ-JTQLQIEISA-N 1 0 279.380 4.060 20 10 CICDRO CC(C)(C)c1ccc(C[NH2+]Cc2ccccc2O)s1 ZINC000157356128 519032058 /nfs/dbraw/zinc/03/20/58/519032058.db2.gz DLVBSSQJGIZVJC-UHFFFAOYSA-N 1 0 275.417 4.041 20 10 CICDRO CCOc1cccc(C[NH2+][C@@H](CC)c2ccccc2O)c1 ZINC000037679405 521370327 /nfs/dbraw/zinc/37/03/27/521370327.db2.gz TVZPJUISZSIFCS-KRWDZBQOSA-N 1 0 285.387 4.032 20 10 CICDRO CC[C@H]([NH2+][C@@H]1CCO[C@@H](CC(C)C)C1)c1ccccc1O ZINC000274725226 522721301 /nfs/dbraw/zinc/72/13/01/522721301.db2.gz ANCQBOFDZARPQW-VYDXJSESSA-N 1 0 291.435 4.027 20 10 CICDRO CC[C@@H]([NH2+]Cc1ccccc1N(C)C)c1ccc(C)cc1O ZINC000280184367 522885440 /nfs/dbraw/zinc/88/54/40/522885440.db2.gz RVUJGOCWDNXBPR-QGZVFWFLSA-N 1 0 298.430 4.008 20 10 CICDRO CC[C@@H]([NH2+]Cc1ccsc1)c1ccc(C)cc1O ZINC000280289953 522886103 /nfs/dbraw/zinc/88/61/03/522886103.db2.gz ZDXSDOYVNMULGY-CQSZACIVSA-N 1 0 261.390 4.003 20 10 CICDRO CC[C@@H]([NH2+][C@H](C)c1ccccc1O)c1ccc(OC)cc1 ZINC000037067450 522938682 /nfs/dbraw/zinc/93/86/82/522938682.db2.gz NVDFVPODSFAUPP-CXAGYDPISA-N 1 0 285.387 4.203 20 10 CICDRO COc1ccc(C[NH2+][C@H](C)c2ccc(C)cc2)cc1C ZINC000037770468 524089650 /nfs/dbraw/zinc/08/96/50/524089650.db2.gz JYSCYZISFKGWEE-OAHLLOKOSA-N 1 0 269.388 4.163 20 10 CICDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(C(F)(F)F)cc2)c1 ZINC000071409316 525350184 /nfs/dbraw/zinc/35/01/84/525350184.db2.gz VHCCGBMDVXMJCE-UHFFFAOYSA-N 1 0 295.304 4.009 20 10 CICDRO C[C@@H]([NH2+]C1CC(F)(F)C1)c1ccc(N2CCCCC2)cc1 ZINC000277083241 525394735 /nfs/dbraw/zinc/39/47/35/525394735.db2.gz JVGJJAUDLWSZIA-CYBMUJFWSA-N 1 0 294.389 4.125 20 10 CICDRO C[C@@H]([NH2+]CC1(C)CCOCC1)c1ccc2ccccc2c1O ZINC000273474292 525419183 /nfs/dbraw/zinc/41/91/83/525419183.db2.gz KKGPXDMTMVUZEQ-CQSZACIVSA-N 1 0 299.414 4.013 20 10 CICDRO C[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1ccsc1 ZINC000061361505 525445321 /nfs/dbraw/zinc/44/53/21/525445321.db2.gz VOQPCOMPABWSHU-AWEZNQCLSA-N 1 0 286.444 4.199 20 10 CICDRO C[C@@H]([NH2+]Cc1ccccc1O)c1cccc(C2CC2)c1 ZINC000293932994 525537099 /nfs/dbraw/zinc/53/70/99/525537099.db2.gz YCAVUALZAAXWMD-CYBMUJFWSA-N 1 0 267.372 4.120 20 10 CICDRO C[C@@H]([NH2+][C@H](C)c1ccccc1Cl)c1ccccc1O ZINC000020124034 171005777 /nfs/dbraw/zinc/00/57/77/171005777.db2.gz MWUDCCSXPCIQOW-VXGBXAGGSA-N 1 0 275.779 4.457 20 10 CICDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2ccccc2C)c1 ZINC000020126248 171010712 /nfs/dbraw/zinc/01/07/12/171010712.db2.gz UYABPICDPPTNKV-ZIAGYGMSSA-N 1 0 285.387 4.121 20 10 CICDRO CC[C@H]([NH2+][C@@H]1CCc2ccccc21)c1ccccc1O ZINC000020129896 171018618 /nfs/dbraw/zinc/01/86/18/171018618.db2.gz RYHZMVLVKVDJIM-DLBZAZTESA-N 1 0 267.372 4.120 20 10 CICDRO CC[C@@H]([NH2+][C@H]1CCc2ccccc21)c1ccccc1O ZINC000020129897 171018645 /nfs/dbraw/zinc/01/86/45/171018645.db2.gz RYHZMVLVKVDJIM-SJORKVTESA-N 1 0 267.372 4.120 20 10 CICDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCc3ccccc32)c(O)c1 ZINC000020130128 171019143 /nfs/dbraw/zinc/01/91/43/171019143.db2.gz IWGGBDIKLMWJEF-CXAGYDPISA-N 1 0 267.372 4.039 20 10 CICDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCc3ccccc32)c(O)c1 ZINC000020133798 171021874 /nfs/dbraw/zinc/02/18/74/171021874.db2.gz VIVWPXZNFBMOHL-KBXCAEBGSA-N 1 0 281.399 4.429 20 10 CICDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCc3ccccc32)c(O)c1 ZINC000020133795 171022300 /nfs/dbraw/zinc/02/23/00/171022300.db2.gz VIVWPXZNFBMOHL-RDTXWAMCSA-N 1 0 281.399 4.429 20 10 CICDRO CC[C@@H]([NH2+][C@H]1CCCc2occc21)c1ccccc1O ZINC000020204640 171069395 /nfs/dbraw/zinc/06/93/95/171069395.db2.gz WMBRLJDXGTVIDS-CABCVRRESA-N 1 0 271.360 4.104 20 10 CICDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCc3occc32)c(O)c1 ZINC000020205078 171070276 /nfs/dbraw/zinc/07/02/76/171070276.db2.gz OOIJQEDHEQRZNO-SWLSCSKDSA-N 1 0 271.360 4.022 20 10 CICDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(Cl)cc2)c(O)c1 ZINC000020209943 171074330 /nfs/dbraw/zinc/07/43/30/171074330.db2.gz MIMVUUJYIKNVRO-GFCCVEGCSA-N 1 0 275.779 4.205 20 10 CICDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2ccccc2)c1 ZINC000035628462 172307284 /nfs/dbraw/zinc/30/72/84/172307284.db2.gz ZKZYKPRHAHIVTE-KBPBESRZSA-N 1 0 255.361 4.112 20 10 CICDRO Cc1cc(N(C)Cc2ccc(N3CCCCC3)cc2)cc[nH+]1 ZINC000302252976 227834456 /nfs/dbraw/zinc/83/44/56/227834456.db2.gz AWAUCLMLRNMFGK-UHFFFAOYSA-N 1 0 295.430 4.017 20 10 CICDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1F)c1ccccc1O ZINC000036952763 260056270 /nfs/dbraw/zinc/05/62/70/260056270.db2.gz NYOATOPZPHOLSW-MEDUHNTESA-N 1 0 291.341 4.472 20 10 CICDRO C[C@@H]([NH2+]Cc1ccco1)c1ccc(N2CCCCC2)cc1 ZINC000152047233 261059127 /nfs/dbraw/zinc/05/91/27/261059127.db2.gz GVJIRORXKYHRTA-OAHLLOKOSA-N 1 0 284.403 4.121 20 10 CICDRO CC[C@@H]([NH2+][C@@H]1CCc2cc(F)ccc21)c1ccccc1O ZINC000155420781 261101677 /nfs/dbraw/zinc/10/16/77/261101677.db2.gz KMDJSAISCMQDDO-IAGOWNOFSA-N 1 0 285.362 4.260 20 10 CICDRO CC[C@H]([NH2+]CC1(CCOC)CCCC1)c1ccccc1O ZINC000156354675 261120640 /nfs/dbraw/zinc/12/06/40/261120640.db2.gz JHWRMWJBEIJOQY-INIZCTEOSA-N 1 0 291.435 4.030 20 10 CICDRO CCOCCC1(C[NH2+][C@H](CC)c2ccccc2O)CCC1 ZINC000156739304 261130920 /nfs/dbraw/zinc/13/09/20/261130920.db2.gz IQWGULUGRFGMTG-MRXNPFEDSA-N 1 0 291.435 4.030 20 10 CICDRO C[C@@H]([NH2+][C@H](C)c1cccc(F)c1F)c1ccccc1O ZINC000183634559 261983348 /nfs/dbraw/zinc/98/33/48/261983348.db2.gz HBOLAHKFIKGXNK-GHMZBOCLSA-N 1 0 277.314 4.082 20 10 CICDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2cncc(C)c2)cc1 ZINC000184286397 262014688 /nfs/dbraw/zinc/01/46/88/262014688.db2.gz YLMOLXSSTJFGBQ-INIZCTEOSA-N 1 0 297.446 4.087 20 10 CICDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2cccc(F)c2F)c1 ZINC000186207789 262084704 /nfs/dbraw/zinc/08/47/04/262084704.db2.gz XVWSGVZLMSARCR-VXGBXAGGSA-N 1 0 291.341 4.391 20 10 CICDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2ccc(C)cc2)c1 ZINC000037769987 326860760 /nfs/dbraw/zinc/86/07/60/326860760.db2.gz BZEINIMUZDIYCW-ZIAGYGMSSA-N 1 0 285.387 4.121 20 10 CICDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2ccc(C)cc2)c1 ZINC000037769986 326860905 /nfs/dbraw/zinc/86/09/05/326860905.db2.gz BZEINIMUZDIYCW-KBPBESRZSA-N 1 0 285.387 4.121 20 10 CICDRO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2cc(C)ccc2O)cc1 ZINC000090339567 327094145 /nfs/dbraw/zinc/09/41/45/327094145.db2.gz FSBWCVPWQAQNBE-KGLIPLIRSA-N 1 0 285.387 4.121 20 10 CICDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H](C)c1cc(C)ccn1 ZINC000560536052 327320836 /nfs/dbraw/zinc/32/08/36/327320836.db2.gz HSHCNTDLLXDKMO-HNNXBMFYSA-N 1 0 293.414 4.041 20 10 CICDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000377654348 329022964 /nfs/dbraw/zinc/02/29/64/329022964.db2.gz TYSKDNSNWDKBSS-ZWKOTPCHSA-N 1 0 296.414 4.384 20 10 CICDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000377689255 329024930 /nfs/dbraw/zinc/02/49/30/329024930.db2.gz DGVTWGCRJOGTQD-DLBZAZTESA-N 1 0 282.387 4.075 20 10 CICDRO CC[C@H](c1ccccc1O)[N@H+](C)[C@@H]1CCCc2cccnc21 ZINC000377708779 329026478 /nfs/dbraw/zinc/02/64/78/329026478.db2.gz XYUIJAWYBODPKA-IAGOWNOFSA-N 1 0 296.414 4.248 20 10 CICDRO Cc1cc(C[NH2+]Cc2c(C)c3ccccc3n2C)c(C)s1 ZINC000527528451 330260165 /nfs/dbraw/zinc/26/01/65/330260165.db2.gz ZVJVXNSNUZGNKS-UHFFFAOYSA-N 1 0 298.455 4.455 20 10 CICDRO COc1ccc(C[NH2+][C@@H](c2ccccn2)C2CCC2)cc1C ZINC000527771807 330282150 /nfs/dbraw/zinc/28/21/50/330282150.db2.gz JYERFUKPQBAFTG-LJQANCHMSA-N 1 0 296.414 4.030 20 10 CICDRO CC[C@H]([NH2+][C@H](c1ccccn1)C1CCC1)c1ccccc1O ZINC000527962701 330300780 /nfs/dbraw/zinc/30/07/80/330300780.db2.gz HOXMQYORIZXXAP-LPHOPBHVSA-N 1 0 296.414 4.369 20 10 CICDRO CCC(F)(F)C(C)(C)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000527977850 330302259 /nfs/dbraw/zinc/30/22/59/330302259.db2.gz BUTKQDMIXQLNKZ-GFCCVEGCSA-N 1 0 283.362 4.041 20 10 CICDRO CC[C@H]([NH2+][C@@H](C)c1ncccc1F)c1ccc(C)cc1O ZINC000528036655 330302987 /nfs/dbraw/zinc/30/29/87/330302987.db2.gz WRZBEVAXNFIDBV-WFASDCNBSA-N 1 0 288.366 4.037 20 10 CICDRO CC[C@H]([NH2+]Cc1ccccc1N(C)C)c1ccc(C)cc1O ZINC000280184364 522655575 /nfs/dbraw/zinc/65/55/75/522655575.db2.gz RVUJGOCWDNXBPR-KRWDZBQOSA-N 1 0 298.430 4.008 20 10 CICDRO CC[C@H]([NH2+][C@@H]1CCO[C@H](CC(C)C)C1)c1ccccc1O ZINC000274725220 522719984 /nfs/dbraw/zinc/71/99/84/522719984.db2.gz ANCQBOFDZARPQW-INMHGKMJSA-N 1 0 291.435 4.027 20 10 CICDRO CC[C@@H]([NH2+]C1(c2ccccc2)CC1)c1ccccc1O ZINC000274763113 522810158 /nfs/dbraw/zinc/81/01/58/522810158.db2.gz KQYIETPSSCBTAW-MRXNPFEDSA-N 1 0 267.372 4.122 20 10 CICDRO CC[C@@H]([NH2+]Cc1cccc(N(C)C)c1)c1ccc(C)cc1O ZINC000280134156 522881380 /nfs/dbraw/zinc/88/13/80/522881380.db2.gz PGODKCUVKPGSDI-GOSISDBHSA-N 1 0 298.430 4.008 20 10 CICDRO CC[C@@H]([NH2+][C@@H](CC)c1ccncc1)c1ccc(C)cc1O ZINC000280097366 522920229 /nfs/dbraw/zinc/92/02/29/522920229.db2.gz MVJFUAOCONVKBX-DLBZAZTESA-N 1 0 284.403 4.288 20 10 CICDRO CC[C@@H]([NH2+][C@@H](COC)c1ccccc1)c1ccc(C)cc1O ZINC000279970053 522921793 /nfs/dbraw/zinc/92/17/93/522921793.db2.gz CWWPWHYXYONZOS-MSOLQXFVSA-N 1 0 299.414 4.129 20 10 CICDRO CC[C@@H]([NH2+][C@H](C)c1ccc(F)c(F)c1)c1ccccc1O ZINC000036953107 522935106 /nfs/dbraw/zinc/93/51/06/522935106.db2.gz YWFPEYXAIBYPRT-BDJLRTHQSA-N 1 0 291.341 4.472 20 10 CICDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCc3ccccc32)c1 ZINC000120512970 524765315 /nfs/dbraw/zinc/76/53/15/524765315.db2.gz HATUPEMSPJXCRZ-FZKQIMNGSA-N 1 0 297.398 4.129 20 10 CICDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCc3cc(C)ccc32)c1 ZINC000273464197 524765989 /nfs/dbraw/zinc/76/59/89/524765989.db2.gz DGVCOCQJZQWRIU-ACJLOTCBSA-N 1 0 297.398 4.047 20 10 CICDRO Cc1ccccc1[C@@H](C)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000094616865 525361747 /nfs/dbraw/zinc/36/17/47/525361747.db2.gz BIZVWXKMICZJQS-CHWSQXEVSA-N 1 0 273.351 4.252 20 10 CICDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2cccc(Cl)c2)c1 ZINC000053147838 525364462 /nfs/dbraw/zinc/36/44/62/525364462.db2.gz OYIKSTDXTKAKDW-LBPRGKRZSA-N 1 0 275.779 4.205 20 10 CICDRO Cc1[nH]c2c(cc(C)cc2C[NH2+]Cc2ccccc2O)c1C ZINC000264234096 525414667 /nfs/dbraw/zinc/41/46/67/525414667.db2.gz CNYAYSZQHVXVEI-UHFFFAOYSA-N 1 0 294.398 4.089 20 10 CICDRO C[C@@H]([NH2+]Cc1ccc(C2CC2)cc1F)c1ccccc1O ZINC000293369610 525519941 /nfs/dbraw/zinc/51/99/41/525519941.db2.gz HVDMNRKXAWLMDS-GFCCVEGCSA-N 1 0 285.362 4.260 20 10 CICDRO C[C@H]([NH2+][C@@H](C)c1c(F)cccc1F)c1cc(F)ccc1O ZINC000094617669 525527747 /nfs/dbraw/zinc/52/77/47/525527747.db2.gz FVBTUDUKBZMODC-UWVGGRQHSA-N 1 0 295.304 4.221 20 10 CICDRO C[C@@H]([NH2+][C@H](c1ccccc1)C1CC1)c1cc(F)ccc1O ZINC000094617414 525669368 /nfs/dbraw/zinc/66/93/68/525669368.db2.gz MCKPTFUHOHEYJH-KZULUSFZSA-N 1 0 285.362 4.333 20 10 CICDRO CSc1ccc([C@@H](C)[NH2+]Cc2cc(C)ccc2O)cc1 ZINC000071407540 526061096 /nfs/dbraw/zinc/06/10/96/526061096.db2.gz XTIABTBFHUJUFU-CYBMUJFWSA-N 1 0 287.428 4.273 20 10 CICDRO