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+]C1CCCCC1)c1ccc2ccccc2c1O ZINC000019878977 170907348 /nfs/dbraw/zinc/90/73/48/170907348.db2.gz OMVQSZVYJAHSIY-ZDUSSCGKSA-N 1 0 269.388 4.529 20 10 CJCDRO C[C@@H]([NH2+]Cc1ccccc1O)c1ccc(Cl)cc1Cl ZINC000019917700 170926396 /nfs/dbraw/zinc/92/63/96/170926396.db2.gz SJABPDGWDQZYAM-SNVBAGLBSA-N 1 0 296.197 4.550 20 10 CJCDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1)c1ccccc1O ZINC000020121987 171002255 /nfs/dbraw/zinc/00/22/55/171002255.db2.gz ULQWNSAEVWBBGY-BLLLJJGKSA-N 1 0 289.806 4.848 20 10 CJCDRO CC[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1)c1ccccc1O ZINC000020121988 171001933 /nfs/dbraw/zinc/00/19/33/171001933.db2.gz ULQWNSAEVWBBGY-LRDDRELGSA-N 1 0 289.806 4.848 20 10 CJCDRO CC[C@@H]([NH2+][C@H](C)c1ccc(Cl)cc1)c1ccccc1O ZINC000020121989 171001721 /nfs/dbraw/zinc/00/17/21/171001721.db2.gz ULQWNSAEVWBBGY-MLGOLLRUSA-N 1 0 289.806 4.848 20 10 CJCDRO CC[C@H]([NH2+][C@H](C)c1ccc(Cl)cc1)c1ccccc1O ZINC000020121990 171002068 /nfs/dbraw/zinc/00/20/68/171002068.db2.gz ULQWNSAEVWBBGY-WBMJQRKESA-N 1 0 289.806 4.848 20 10 CJCDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(Cl)cc2)c(O)c1 ZINC000020122029 171001777 /nfs/dbraw/zinc/00/17/77/171001777.db2.gz VRNAGOBFRRHLGE-OLZOCXBDSA-N 1 0 289.806 4.766 20 10 CJCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(Cl)cc2)c(O)c1 ZINC000020122030 171002026 /nfs/dbraw/zinc/00/20/26/171002026.db2.gz VRNAGOBFRRHLGE-STQMWFEESA-N 1 0 289.806 4.766 20 10 CJCDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(Cl)cc2)c(O)c1 ZINC000020122031 171001975 /nfs/dbraw/zinc/00/19/75/171001975.db2.gz VRNAGOBFRRHLGE-CHWSQXEVSA-N 1 0 289.806 4.766 20 10 CJCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(Cl)cc2)c(O)c1 ZINC000020122032 171001841 /nfs/dbraw/zinc/00/18/41/171001841.db2.gz VRNAGOBFRRHLGE-QWHCGFSZSA-N 1 0 289.806 4.766 20 10 CJCDRO C[C@@H]([NH2+]Cc1cc(Cl)ccc1O)c1ccccc1Cl ZINC000020124086 171005290 /nfs/dbraw/zinc/00/52/90/171005290.db2.gz PXEIVQLWJNYEBB-SNVBAGLBSA-N 1 0 296.197 4.550 20 10 CJCDRO C[C@H]([NH2+]Cc1cc(Cl)ccc1O)c1ccccc1Cl ZINC000020124087 171005861 /nfs/dbraw/zinc/00/58/61/171005861.db2.gz PXEIVQLWJNYEBB-JTQLQIEISA-N 1 0 296.197 4.550 20 10 CJCDRO CC[C@@H]([NH2+][C@@H](C)c1ccccc1Cl)c1ccccc1O ZINC000020124092 171005678 /nfs/dbraw/zinc/00/56/78/171005678.db2.gz WRLNHUJVUKFXHC-BLLLJJGKSA-N 1 0 289.806 4.848 20 10 CJCDRO CC[C@H]([NH2+][C@@H](C)c1ccccc1Cl)c1ccccc1O ZINC000020124093 171005297 /nfs/dbraw/zinc/00/52/97/171005297.db2.gz WRLNHUJVUKFXHC-LRDDRELGSA-N 1 0 289.806 4.848 20 10 CJCDRO CC[C@@H]([NH2+][C@H](C)c1ccccc1Cl)c1ccccc1O ZINC000020124094 171005507 /nfs/dbraw/zinc/00/55/07/171005507.db2.gz WRLNHUJVUKFXHC-MLGOLLRUSA-N 1 0 289.806 4.848 20 10 CJCDRO CC[C@H]([NH2+][C@H](C)c1ccccc1Cl)c1ccccc1O ZINC000020124095 171005898 /nfs/dbraw/zinc/00/58/98/171005898.db2.gz WRLNHUJVUKFXHC-WBMJQRKESA-N 1 0 289.806 4.848 20 10 CJCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccccc2Cl)c(O)c1 ZINC000020124134 171005640 /nfs/dbraw/zinc/00/56/40/171005640.db2.gz ZUKXANGZSWBPIZ-QWHCGFSZSA-N 1 0 289.806 4.766 20 10 CJCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccccc2Cl)c(O)c1 ZINC000020124135 171005398 /nfs/dbraw/zinc/00/53/98/171005398.db2.gz ZUKXANGZSWBPIZ-STQMWFEESA-N 1 0 289.806 4.766 20 10 CJCDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccccc2Cl)c(O)c1 ZINC000020124136 171005295 /nfs/dbraw/zinc/00/52/95/171005295.db2.gz ZUKXANGZSWBPIZ-CHWSQXEVSA-N 1 0 289.806 4.766 20 10 CJCDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccccc2Cl)c(O)c1 ZINC000020124137 171005365 /nfs/dbraw/zinc/00/53/65/171005365.db2.gz ZUKXANGZSWBPIZ-OLZOCXBDSA-N 1 0 289.806 4.766 20 10 CJCDRO C[C@@H]([NH2+]Cc1cc(Cl)ccc1O)c1cccc(Cl)c1 ZINC000020124276 171006523 /nfs/dbraw/zinc/00/65/23/171006523.db2.gz AZKHOSSLDBIWNO-SNVBAGLBSA-N 1 0 296.197 4.550 20 10 CJCDRO CC[C@@H]([NH2+][C@@H](C)c1cccc(Cl)c1)c1ccccc1O ZINC000020124282 171006478 /nfs/dbraw/zinc/00/64/78/171006478.db2.gz SXMZJHMPWZEPOQ-BLLLJJGKSA-N 1 0 289.806 4.848 20 10 CJCDRO CC[C@H]([NH2+][C@@H](C)c1cccc(Cl)c1)c1ccccc1O ZINC000020124283 171006203 /nfs/dbraw/zinc/00/62/03/171006203.db2.gz SXMZJHMPWZEPOQ-LRDDRELGSA-N 1 0 289.806 4.848 20 10 CJCDRO CC[C@@H]([NH2+][C@H](C)c1cccc(Cl)c1)c1ccccc1O ZINC000020124284 171006435 /nfs/dbraw/zinc/00/64/35/171006435.db2.gz SXMZJHMPWZEPOQ-MLGOLLRUSA-N 1 0 289.806 4.848 20 10 CJCDRO CC[C@H]([NH2+][C@H](C)c1cccc(Cl)c1)c1ccccc1O ZINC000020124285 171006183 /nfs/dbraw/zinc/00/61/83/171006183.db2.gz SXMZJHMPWZEPOQ-WBMJQRKESA-N 1 0 289.806 4.848 20 10 CJCDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2cccc(Cl)c2)c(O)c1 ZINC000020124324 171006456 /nfs/dbraw/zinc/00/64/56/171006456.db2.gz LVTSVOMCQLRRPS-OLZOCXBDSA-N 1 0 289.806 4.766 20 10 CJCDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cccc(Cl)c2)c(O)c1 ZINC000020124326 171006670 /nfs/dbraw/zinc/00/66/70/171006670.db2.gz LVTSVOMCQLRRPS-CHWSQXEVSA-N 1 0 289.806 4.766 20 10 CJCDRO CC[C@@H]([NH2+][C@@H](C)c1ccccc1C)c1ccccc1O ZINC000020126268 171010613 /nfs/dbraw/zinc/01/06/13/171010613.db2.gz QPFXUZRUIIILRZ-WMLDXEAASA-N 1 0 269.388 4.503 20 10 CJCDRO CC[C@H]([NH2+][C@@H](C)c1ccccc1C)c1ccccc1O ZINC000020126269 171010288 /nfs/dbraw/zinc/01/02/88/171010288.db2.gz QPFXUZRUIIILRZ-YOEHRIQHSA-N 1 0 269.388 4.503 20 10 CJCDRO CC[C@@H]([NH2+][C@H](C)c1ccccc1C)c1ccccc1O ZINC000020126270 171010270 /nfs/dbraw/zinc/01/02/70/171010270.db2.gz QPFXUZRUIIILRZ-RHSMWYFYSA-N 1 0 269.388 4.503 20 10 CJCDRO CC[C@H]([NH2+][C@H](C)c1ccccc1C)c1ccccc1O ZINC000020126271 171010196 /nfs/dbraw/zinc/01/01/96/171010196.db2.gz QPFXUZRUIIILRZ-PBHICJAKSA-N 1 0 269.388 4.503 20 10 CJCDRO CC[C@@H]([NH2+][C@@H]1CCCc2ccccc21)c1ccccc1O ZINC000020133702 171021709 /nfs/dbraw/zinc/02/17/09/171021709.db2.gz BGDLIKNQCRWVQA-QZTJIDSGSA-N 1 0 281.399 4.511 20 10 CJCDRO CC[C@H]([NH2+][C@@H]1CCCc2ccccc21)c1ccccc1O ZINC000020133706 171022227 /nfs/dbraw/zinc/02/22/27/171022227.db2.gz BGDLIKNQCRWVQA-ZWKOTPCHSA-N 1 0 281.399 4.511 20 10 CJCDRO CC[C@@H]([NH2+][C@H]1CCCc2ccccc21)c1ccccc1O ZINC000020133710 171021967 /nfs/dbraw/zinc/02/19/67/171021967.db2.gz BGDLIKNQCRWVQA-MSOLQXFVSA-N 1 0 281.399 4.511 20 10 CJCDRO CC[C@H]([NH2+][C@H]1CCCc2ccccc21)c1ccccc1O ZINC000020133713 171021983 /nfs/dbraw/zinc/02/19/83/171021983.db2.gz BGDLIKNQCRWVQA-ROUUACIJSA-N 1 0 281.399 4.511 20 10 CJCDRO COc1ccc(C[NH2+][C@@H](C)c2cc(C)sc2C)cc1C ZINC000035252962 172082857 /nfs/dbraw/zinc/08/28/57/172082857.db2.gz UVOHLQJJKSJYLQ-ZDUSSCGKSA-N 1 0 289.444 4.533 20 10 CJCDRO COc1ccc(C[NH2+][C@H](C)c2cc(C)sc2C)cc1C ZINC000035252964 172082490 /nfs/dbraw/zinc/08/24/90/172082490.db2.gz UVOHLQJJKSJYLQ-CYBMUJFWSA-N 1 0 289.444 4.533 20 10 CJCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2ccc(Cl)cc2)c1 ZINC000035628761 172308269 /nfs/dbraw/zinc/30/82/69/172308269.db2.gz REDDVSISUZVSCP-QWHCGFSZSA-N 1 0 289.806 4.766 20 10 CJCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2ccc(Cl)cc2)c1 ZINC000035628762 172308366 /nfs/dbraw/zinc/30/83/66/172308366.db2.gz REDDVSISUZVSCP-STQMWFEESA-N 1 0 289.806 4.766 20 10 CJCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2ccc(Cl)cc2)c1 ZINC000035628763 172308144 /nfs/dbraw/zinc/30/81/44/172308144.db2.gz REDDVSISUZVSCP-CHWSQXEVSA-N 1 0 289.806 4.766 20 10 CJCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2ccc(Cl)cc2)c1 ZINC000035628764 172308462 /nfs/dbraw/zinc/30/84/62/172308462.db2.gz REDDVSISUZVSCP-OLZOCXBDSA-N 1 0 289.806 4.766 20 10 CJCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2ccccc2Cl)c1 ZINC000035628783 172308203 /nfs/dbraw/zinc/30/82/03/172308203.db2.gz DXERXOQEGKHITB-QWHCGFSZSA-N 1 0 289.806 4.766 20 10 CJCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2ccccc2Cl)c1 ZINC000035628784 172308040 /nfs/dbraw/zinc/30/80/40/172308040.db2.gz DXERXOQEGKHITB-STQMWFEESA-N 1 0 289.806 4.766 20 10 CJCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2ccccc2Cl)c1 ZINC000035628785 172308264 /nfs/dbraw/zinc/30/82/64/172308264.db2.gz DXERXOQEGKHITB-CHWSQXEVSA-N 1 0 289.806 4.766 20 10 CJCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2ccccc2Cl)c1 ZINC000035628786 172307883 /nfs/dbraw/zinc/30/78/83/172307883.db2.gz DXERXOQEGKHITB-OLZOCXBDSA-N 1 0 289.806 4.766 20 10 CJCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2cccc(Cl)c2)c1 ZINC000035628789 172308407 /nfs/dbraw/zinc/30/84/07/172308407.db2.gz JIEGSKHQOQMCJX-CHWSQXEVSA-N 1 0 289.806 4.766 20 10 CJCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2cccc(Cl)c2)c1 ZINC000035628790 172307977 /nfs/dbraw/zinc/30/79/77/172307977.db2.gz JIEGSKHQOQMCJX-OLZOCXBDSA-N 1 0 289.806 4.766 20 10 CJCDRO CSc1ccc([C@H](C)[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC000036994448 526073133 /nfs/dbraw/zinc/07/31/33/526073133.db2.gz QADHALFFCYJTAN-STQMWFEESA-N 1 0 287.428 4.526 20 10 CJCDRO CSc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC000036994449 526062979 /nfs/dbraw/zinc/06/29/79/526062979.db2.gz QADHALFFCYJTAN-OLZOCXBDSA-N 1 0 287.428 4.526 20 10 CJCDRO CSc1ccc([C@H](C)[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000036994450 526076720 /nfs/dbraw/zinc/07/67/20/526076720.db2.gz QADHALFFCYJTAN-QWHCGFSZSA-N 1 0 287.428 4.526 20 10 CJCDRO CSc1ccc([C@@H](C)[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000036994451 526062215 /nfs/dbraw/zinc/06/22/15/526062215.db2.gz QADHALFFCYJTAN-CHWSQXEVSA-N 1 0 287.428 4.526 20 10 CJCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCSc3ccccc32)c(O)c1 ZINC000037127980 525744665 /nfs/dbraw/zinc/74/46/65/525744665.db2.gz WSDXMONVWSDWGQ-CZUORRHYSA-N 1 0 299.439 4.588 20 10 CJCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCSc3ccccc32)c(O)c1 ZINC000037127981 525941724 /nfs/dbraw/zinc/94/17/24/525941724.db2.gz WSDXMONVWSDWGQ-XJKSGUPXSA-N 1 0 299.439 4.588 20 10 CJCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCSc3ccccc32)c(O)c1 ZINC000037127982 525749685 /nfs/dbraw/zinc/74/96/85/525749685.db2.gz WSDXMONVWSDWGQ-CJNGLKHVSA-N 1 0 299.439 4.588 20 10 CJCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCSc3ccccc32)c(O)c1 ZINC000037127983 525946826 /nfs/dbraw/zinc/94/68/26/525946826.db2.gz WSDXMONVWSDWGQ-BBRMVZONSA-N 1 0 299.439 4.588 20 10 CJCDRO CC[C@H]([NH2+][C@@H]1CCSc2ccccc21)c1ccccc1O ZINC000037128047 522723372 /nfs/dbraw/zinc/72/33/72/522723372.db2.gz SJILXGBPPADGAA-JKSUJKDBSA-N 1 0 299.439 4.670 20 10 CJCDRO CC[C@@H]([NH2+][C@@H]1CCSc2ccccc21)c1ccccc1O ZINC000037128048 522927638 /nfs/dbraw/zinc/92/76/38/522927638.db2.gz SJILXGBPPADGAA-HZPDHXFCSA-N 1 0 299.439 4.670 20 10 CJCDRO CC[C@H]([NH2+][C@H]1CCSc2ccccc21)c1ccccc1O ZINC000037128049 522759200 /nfs/dbraw/zinc/75/92/00/522759200.db2.gz SJILXGBPPADGAA-HOTGVXAUSA-N 1 0 299.439 4.670 20 10 CJCDRO CC[C@@H]([NH2+][C@H]1CCSc2ccccc21)c1ccccc1O ZINC000037128050 522950893 /nfs/dbraw/zinc/95/08/93/522950893.db2.gz SJILXGBPPADGAA-CVEARBPZSA-N 1 0 299.439 4.670 20 10 CJCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCSc3ccccc32)c1 ZINC000037128166 525362810 /nfs/dbraw/zinc/36/28/10/525362810.db2.gz QDKKPMCTJODCGP-CZUORRHYSA-N 1 0 299.439 4.588 20 10 CJCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCSc3ccccc32)c1 ZINC000037128167 525364356 /nfs/dbraw/zinc/36/43/56/525364356.db2.gz QDKKPMCTJODCGP-XJKSGUPXSA-N 1 0 299.439 4.588 20 10 CJCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCSc3ccccc32)c1 ZINC000037128168 525362324 /nfs/dbraw/zinc/36/23/24/525362324.db2.gz QDKKPMCTJODCGP-CJNGLKHVSA-N 1 0 299.439 4.588 20 10 CJCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCSc3ccccc32)c1 ZINC000037128169 525364810 /nfs/dbraw/zinc/36/48/10/525364810.db2.gz QDKKPMCTJODCGP-BBRMVZONSA-N 1 0 299.439 4.588 20 10 CJCDRO CC[C@H]([NH2+][C@@H]1CCCc2sccc21)c1ccccc1O ZINC000061331061 522716348 /nfs/dbraw/zinc/71/63/48/522716348.db2.gz XOLZWSJEEBSRRV-LSDHHAIUSA-N 1 0 287.428 4.572 20 10 CJCDRO CC[C@@H]([NH2+][C@@H]1CCCc2sccc21)c1ccccc1O ZINC000061331063 522923948 /nfs/dbraw/zinc/92/39/48/522923948.db2.gz XOLZWSJEEBSRRV-HUUCEWRRSA-N 1 0 287.428 4.572 20 10 CJCDRO CC[C@H]([NH2+][C@H]1CCCc2sccc21)c1ccccc1O ZINC000061331064 522752910 /nfs/dbraw/zinc/75/29/10/522752910.db2.gz XOLZWSJEEBSRRV-GJZGRUSLSA-N 1 0 287.428 4.572 20 10 CJCDRO CC[C@@H]([NH2+][C@H]1CCCc2sccc21)c1ccccc1O ZINC000061331065 522948314 /nfs/dbraw/zinc/94/83/14/522948314.db2.gz XOLZWSJEEBSRRV-CABCVRRESA-N 1 0 287.428 4.572 20 10 CJCDRO C[C@H]([NH2+]CCCC(F)(F)F)c1ccc2ccccc2c1O ZINC000130317026 525329801 /nfs/dbraw/zinc/32/98/01/525329801.db2.gz FLNBUSCYFTZAPO-NSHDSACASA-N 1 0 297.320 4.539 20 10 CJCDRO C[C@@H]([NH2+]CCCC(F)(F)F)c1ccc2ccccc2c1O ZINC000130317228 525432565 /nfs/dbraw/zinc/43/25/65/525432565.db2.gz FLNBUSCYFTZAPO-LLVKDONJSA-N 1 0 297.320 4.539 20 10 CJCDRO CC[C@H]([NH2+][C@@H](c1ncccc1C)C(C)C)c1ccccc1O ZINC000155850211 261108707 /nfs/dbraw/zinc/10/87/07/261108707.db2.gz BCWOLWLXIRIRBV-FUHWJXTLSA-N 1 0 298.430 4.534 20 10 CJCDRO CC[C@@H]([NH2+][C@@H](c1ncccc1C)C(C)C)c1ccccc1O ZINC000155850322 261108885 /nfs/dbraw/zinc/10/88/85/261108885.db2.gz BCWOLWLXIRIRBV-SJLPKXTDSA-N 1 0 298.430 4.534 20 10 CJCDRO CC[C@H]([NH2+][C@H](c1ncccc1C)C(C)C)c1ccccc1O ZINC000155850431 261108928 /nfs/dbraw/zinc/10/89/28/261108928.db2.gz BCWOLWLXIRIRBV-WMZOPIPTSA-N 1 0 298.430 4.534 20 10 CJCDRO CC[C@@H]([NH2+][C@H](c1ncccc1C)C(C)C)c1ccccc1O ZINC000155850558 261108563 /nfs/dbraw/zinc/10/85/63/261108563.db2.gz BCWOLWLXIRIRBV-AEFFLSMTSA-N 1 0 298.430 4.534 20 10 CJCDRO C[C@@H]([NH2+][C@H](C)c1ccccc1O)c1ccc(F)c(Cl)c1 ZINC000179884033 261822286 /nfs/dbraw/zinc/82/22/86/261822286.db2.gz LOSGQEZEQPNVBC-GHMZBOCLSA-N 1 0 293.769 4.597 20 10 CJCDRO CC(C)Oc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC000192706825 528204433 /nfs/dbraw/zinc/20/44/33/528204433.db2.gz IOQCMTXOOHBLCI-CABCVRRESA-N 1 0 299.414 4.591 20 10 CJCDRO CC(C)Oc1ccc([C@H](C)[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC000192706837 528208538 /nfs/dbraw/zinc/20/85/38/528208538.db2.gz IOQCMTXOOHBLCI-GJZGRUSLSA-N 1 0 299.414 4.591 20 10 CJCDRO CC(C)Oc1ccc([C@@H](C)[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000192706853 528204711 /nfs/dbraw/zinc/20/47/11/528204711.db2.gz IOQCMTXOOHBLCI-HUUCEWRRSA-N 1 0 299.414 4.591 20 10 CJCDRO CC(C)Oc1ccc([C@H](C)[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000192706865 528208369 /nfs/dbraw/zinc/20/83/69/528208369.db2.gz IOQCMTXOOHBLCI-LSDHHAIUSA-N 1 0 299.414 4.591 20 10 CJCDRO CC(C)Oc1cccc([C@@H](C)[NH2+][C@@H](C)c2ccccc2O)c1 ZINC000192759369 528240747 /nfs/dbraw/zinc/24/07/47/528240747.db2.gz GFFAUXDYXBSGOT-CABCVRRESA-N 1 0 299.414 4.591 20 10 CJCDRO CC(C)Oc1cccc([C@H](C)[NH2+][C@@H](C)c2ccccc2O)c1 ZINC000192759382 528242685 /nfs/dbraw/zinc/24/26/85/528242685.db2.gz GFFAUXDYXBSGOT-GJZGRUSLSA-N 1 0 299.414 4.591 20 10 CJCDRO CC(C)Oc1cccc([C@@H](C)[NH2+][C@H](C)c2ccccc2O)c1 ZINC000192759392 528239859 /nfs/dbraw/zinc/23/98/59/528239859.db2.gz GFFAUXDYXBSGOT-HUUCEWRRSA-N 1 0 299.414 4.591 20 10 CJCDRO CC(C)Oc1cccc([C@H](C)[NH2+][C@H](C)c2ccccc2O)c1 ZINC000192759403 528242852 /nfs/dbraw/zinc/24/28/52/528242852.db2.gz GFFAUXDYXBSGOT-LSDHHAIUSA-N 1 0 299.414 4.591 20 10 CJCDRO CC[C@H]([NH2+][C@@H](C)c1ccccc1O)c1ccc(Cl)s1 ZINC000272797239 522697463 /nfs/dbraw/zinc/69/74/63/522697463.db2.gz AVIKBSZXJWKHTP-JQWIXIFHSA-N 1 0 295.835 4.909 20 10 CJCDRO Cc1ccsc1[C@H](C)[NH2+]Cc1c(C)c2ccccc2n1C ZINC000479452927 331730836 /nfs/dbraw/zinc/73/08/36/331730836.db2.gz JATATDPKDCVVTA-AWEZNQCLSA-N 1 0 298.455 4.707 20 10 CJCDRO Cc1ccsc1[C@@H](C)[NH2+]Cc1c(C)c2ccccc2n1C ZINC000479452938 331730878 /nfs/dbraw/zinc/73/08/78/331730878.db2.gz JATATDPKDCVVTA-CQSZACIVSA-N 1 0 298.455 4.707 20 10 CJCDRO Cc1cccc([C@@H]([NH2+][C@H](C)c2ccccc2O)C(C)C)c1 ZINC000528006297 330303410 /nfs/dbraw/zinc/30/34/10/330303410.db2.gz BCAZYEJBGPZBRZ-BEFAXECRSA-N 1 0 283.415 4.749 20 10 CJCDRO Cc1cccc([C@H]([NH2+][C@H](C)c2ccccc2O)C(C)C)c1 ZINC000528006302 330303377 /nfs/dbraw/zinc/30/33/77/330303377.db2.gz BCAZYEJBGPZBRZ-DNVCBOLYSA-N 1 0 283.415 4.749 20 10 CJCDRO Cc1cccc([C@H]([NH2+][C@@H](C)c2ccccc2O)C(C)C)c1 ZINC000528006304 330303462 /nfs/dbraw/zinc/30/34/62/330303462.db2.gz BCAZYEJBGPZBRZ-HNAYVOBHSA-N 1 0 283.415 4.749 20 10 CJCDRO Cc1cccc([C@@H]([NH2+][C@@H](C)c2ccccc2O)C(C)C)c1 ZINC000528006305 330303392 /nfs/dbraw/zinc/30/33/92/330303392.db2.gz BCAZYEJBGPZBRZ-KXBFYZLASA-N 1 0 283.415 4.749 20 10 CJCDRO