smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]C[C@@H]([NH3+])c1cccc(OC(F)(F)F)c1O ZINC000072201331 343069782 /nfs/dbraw/zinc/06/97/82/343069782.db2.gz AYBFDSJFQZSTCS-ZCFIWIBFSA-N 2 2 236.193 1.249 10 10 BDCELP [NH3+]CC[C@@H]([NH3+])c1cccc(Cl)c1O ZINC000307173540 351563831 /nfs/dbraw/zinc/56/38/31/351563831.db2.gz RTSPWKIQLOVAIB-MRVPVSSYSA-N 2 2 200.669 1.394 10 10 BDCELP COc1cccc(C[N@@H+]2CCC[C@H]2C[NH3+])c1O ZINC000131410525 591608017 /nfs/dbraw/zinc/60/80/17/591608017.db2.gz HGDURUAAKHPPFE-NSHDSACASA-N 2 2 236.315 1.324 10 10 BDCELP COc1cccc(C[N@H+]2CCC[C@H]2C[NH3+])c1O ZINC000131410525 591608018 /nfs/dbraw/zinc/60/80/18/591608018.db2.gz HGDURUAAKHPPFE-NSHDSACASA-N 2 2 236.315 1.324 10 10 BDCELP Cc1cc(O)c([C@H]([NH3+])C[NH3+])cc1Cl ZINC000072200587 178197602 /nfs/dbraw/zinc/19/76/02/178197602.db2.gz ZLFGTUPWPWHSIM-MRVPVSSYSA-N 2 2 200.669 1.313 10 10 BDCELP [NH3+]C[C@H]([NH3+])c1cc(OC(F)(F)F)ccc1O ZINC000072201330 343069455 /nfs/dbraw/zinc/06/94/55/343069455.db2.gz KYMLBNMKNJWQTN-ZETCQYMHSA-N 2 2 236.193 1.249 10 10 BDCELP Oc1ccc(C[NH2+]CCc2c[nH]c[nH+]2)c(O)c1 ZINC000083359660 183270961 /nfs/dbraw/zinc/27/09/61/183270961.db2.gz ADENONZRVSEDCN-UHFFFAOYSA-N 2 2 233.271 1.153 10 10 BDCELP Oc1ccc(C[NH2+]CCc2c[nH+]c[nH]2)c(O)c1 ZINC000083359660 183270963 /nfs/dbraw/zinc/27/09/63/183270963.db2.gz ADENONZRVSEDCN-UHFFFAOYSA-N 2 2 233.271 1.153 10 10 BDCELP [NH3+]CCC[C@H]([NH3+])c1cccc(Cl)c1O ZINC000575440143 387127285 /nfs/dbraw/zinc/12/72/85/387127285.db2.gz KIMNSMOPDNVVDJ-VIFPVBQESA-N 2 2 214.696 1.784 10 10 BDCELP [NH3+]CC[C@H]([NH3+])c1c(O)c(Cl)ccc1F ZINC000306969503 351386662 /nfs/dbraw/zinc/38/66/62/351386662.db2.gz PTOVJSNDGPKBPN-ZETCQYMHSA-N 2 2 218.659 1.533 10 10 BDCELP Oc1ccc(C[NH2+]CCCn2cc[nH+]c2)cc1O ZINC000020305974 183270933 /nfs/dbraw/zinc/27/09/33/183270933.db2.gz CCUDLAMAIJZVAU-UHFFFAOYSA-N 2 2 247.298 1.474 10 10 BDCELP C[C@@H]([NH3+])c1ccc(N2CCn3cc[nH+]c3C2)cc1 ZINC000062252892 132387349 /nfs/dbraw/zinc/38/73/49/132387349.db2.gz GNOSWZAPWDAYCO-LLVKDONJSA-N 2 2 242.326 1.923 10 10 BDCELP C[C@H](c1ccc(O)cc1O)[N@H+](C)CC[NH3+] ZINC000054416764 177035321 /nfs/dbraw/zinc/03/53/21/177035321.db2.gz PHMGAWQFRRNBCA-MRVPVSSYSA-N 2 2 210.277 1.049 10 10 BDCELP C[C@H](c1ccc(O)cc1O)[N@@H+](C)CC[NH3+] ZINC000054416764 177035324 /nfs/dbraw/zinc/03/53/24/177035324.db2.gz PHMGAWQFRRNBCA-MRVPVSSYSA-N 2 2 210.277 1.049 10 10 BDCELP [NH3+]CC[C@@H]([NH3+])c1ccc(F)c(Cl)c1O ZINC000306611078 360792109 /nfs/dbraw/zinc/79/21/09/360792109.db2.gz LMHLLRCRDLHTGJ-SSDOTTSWSA-N 2 2 218.659 1.533 10 10 BDCELP [NH3+]C1CC[NH+](Cc2ccc(O)c(O)c2)CC1 ZINC000020521625 181344316 /nfs/dbraw/zinc/34/43/16/181344316.db2.gz PXFJMFQESHPYBV-UHFFFAOYSA-N 2 2 222.288 1.021 10 10 BDCELP Cc1cc(Cl)c(C)c([C@H]([NH3+])C[NH3+])c1O ZINC000072200885 178060798 /nfs/dbraw/zinc/06/07/98/178060798.db2.gz HIIQLVXFUHXFNY-MRVPVSSYSA-N 2 2 214.696 1.621 10 10 BDCELP Oc1c(F)cccc1C[NH2+]CCc1c[nH]c[nH+]1 ZINC000083362121 183254810 /nfs/dbraw/zinc/25/48/10/183254810.db2.gz VIMUDQMQXOSLDZ-UHFFFAOYSA-N 2 2 235.262 1.587 10 10 BDCELP Oc1cccc(C[NH2+]CCc2c[nH]c[nH+]2)c1O ZINC000083359662 183289474 /nfs/dbraw/zinc/28/94/74/183289474.db2.gz LZAVPNBNGUWUFG-UHFFFAOYSA-N 2 2 233.271 1.153 10 10 BDCELP Oc1cccc(C[NH2+]CCc2c[nH+]c[nH]2)c1O ZINC000083359662 183289475 /nfs/dbraw/zinc/28/94/75/183289475.db2.gz LZAVPNBNGUWUFG-UHFFFAOYSA-N 2 2 233.271 1.153 10 10 BDCELP [NH3+]CCC[C@@H]([NH3+])c1cccc(Cl)c1O ZINC000575439424 387124682 /nfs/dbraw/zinc/12/46/82/387124682.db2.gz KIMNSMOPDNVVDJ-SECBINFHSA-N 2 2 214.696 1.784 10 10 BDCELP CN1CCc2cc(C[N@@H+]3CCC[NH2+]CC3)ccc21 ZINC000050287733 173170729 /nfs/dbraw/zinc/17/07/29/173170729.db2.gz PJCLYQNLWVFQHL-UHFFFAOYSA-N 2 2 245.370 1.474 10 10 BDCELP CN1CCc2cc(C[N@H+]3CCC[NH2+]CC3)ccc21 ZINC000050287733 173170730 /nfs/dbraw/zinc/17/07/30/173170730.db2.gz PJCLYQNLWVFQHL-UHFFFAOYSA-N 2 2 245.370 1.474 10 10 BDCELP CN1CCCc2cc([C@@H]([NH3+])C[NH3+])ccc21 ZINC000044474118 536397685 /nfs/dbraw/zinc/39/76/85/536397685.db2.gz JLRADLKEGBGVDD-NSHDSACASA-N 2 2 205.305 1.028 10 10 BDCELP CN(C)c1ccc([C@@H]([NH3+])C[NH3+])c(Cl)c1 ZINC000044469486 345085096 /nfs/dbraw/zinc/08/50/96/345085096.db2.gz PHPMFNRJIHCCBI-JTQLQIEISA-N 2 2 213.712 1.365 10 10 BDCELP [NH3+]CC[C@@H]([NH3+])c1ccc(F)c(F)c1O ZINC000306821059 351127228 /nfs/dbraw/zinc/12/72/28/351127228.db2.gz NWVZNYKAIJPPQE-SSDOTTSWSA-N 2 2 202.204 1.019 10 10 BDCELP Oc1c(F)cccc1C[NH2+]CCCn1cc[nH+]c1 ZINC000083380708 183254516 /nfs/dbraw/zinc/25/45/16/183254516.db2.gz YPLCTSNJTWYYKA-UHFFFAOYSA-N 2 2 249.289 1.908 10 10 BDCELP [NH3+]C[C@@H]([NH3+])c1cccc(Br)c1O ZINC000072201259 384814939 /nfs/dbraw/zinc/81/49/39/384814939.db2.gz YFUABXYDRYMKCG-SSDOTTSWSA-N 2 2 231.093 1.113 10 10 BDCELP COc1ccc(C[NH2+][C@H]2CC[N@H+](C)C2)c(O)c1 ZINC000042546155 175112183 /nfs/dbraw/zinc/11/21/83/175112183.db2.gz NDQAYGBMPHMRRX-NSHDSACASA-N 2 2 236.315 1.195 10 10 BDCELP COc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C2)c(O)c1 ZINC000042546155 175112186 /nfs/dbraw/zinc/11/21/86/175112186.db2.gz NDQAYGBMPHMRRX-NSHDSACASA-N 2 2 236.315 1.195 10 10 BDCELP C[C@H](c1cc(O)ccc1O)[N@H+](C)CC[NH3+] ZINC000054416681 177031920 /nfs/dbraw/zinc/03/19/20/177031920.db2.gz PQMIVHDXRKJFLM-MRVPVSSYSA-N 2 2 210.277 1.049 10 10 BDCELP C[C@H](c1cc(O)ccc1O)[N@@H+](C)CC[NH3+] ZINC000054416681 177031921 /nfs/dbraw/zinc/03/19/21/177031921.db2.gz PQMIVHDXRKJFLM-MRVPVSSYSA-N 2 2 210.277 1.049 10 10 BDCELP C[NH+](C)CCC[NH2+]Cc1cccc(F)c1O ZINC000083354767 631424365 /nfs/dbraw/zinc/42/43/65/631424365.db2.gz VNLXMWHZXUQIHY-UHFFFAOYSA-N 2 2 226.295 1.573 10 10 BDCELP C[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)C[C@@H]1[NH3+] ZINC000235363547 632677897 /nfs/dbraw/zinc/67/78/97/632677897.db2.gz LBKIXPNWTVAPAT-RISCZKNCSA-N 2 2 233.359 1.532 10 10 BDCELP C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)C[C@@H]1[NH3+] ZINC000235363547 632677899 /nfs/dbraw/zinc/67/78/99/632677899.db2.gz LBKIXPNWTVAPAT-RISCZKNCSA-N 2 2 233.359 1.532 10 10 BDCELP [NH3+]CC[C@H]([NH3+])c1cc(Cl)cc(F)c1O ZINC000306959065 351381946 /nfs/dbraw/zinc/38/19/46/351381946.db2.gz WYBNQTHDRGIVJF-QMMMGPOBSA-N 2 2 218.659 1.533 10 10 BDCELP Oc1c(F)cccc1C[NH2+]CCn1cc[nH+]c1 ZINC000158734396 183255346 /nfs/dbraw/zinc/25/53/46/183255346.db2.gz OHCJWOHUBZYVPH-UHFFFAOYSA-N 2 2 235.262 1.518 10 10 BDCELP Cc1cc(Cl)cc([C@H]([NH3+])C[NH3+])c1O ZINC000072200569 384815314 /nfs/dbraw/zinc/81/53/14/384815314.db2.gz ZWFHDNGXIMXMOP-MRVPVSSYSA-N 2 2 200.669 1.313 10 10 BDCELP C[C@H](c1ccc(F)cc1O)[N@H+](C)[C@@H]1CC[NH2+]C1 ZINC000071309883 177033741 /nfs/dbraw/zinc/03/37/41/177033741.db2.gz PMPKBZHTWIAYKU-MWLCHTKSSA-N 2 2 238.306 1.886 10 10 BDCELP C[C@H](c1ccc(F)cc1O)[N@@H+](C)[C@@H]1CC[NH2+]C1 ZINC000071309883 177033742 /nfs/dbraw/zinc/03/37/42/177033742.db2.gz PMPKBZHTWIAYKU-MWLCHTKSSA-N 2 2 238.306 1.886 10 10 BDCELP [NH3+]C[C@H]([NH3+])c1cccc(OC(F)(F)F)c1O ZINC000072201332 343069759 /nfs/dbraw/zinc/06/97/59/343069759.db2.gz AYBFDSJFQZSTCS-LURJTMIESA-N 2 2 236.193 1.249 10 10 BDCELP C[NH+](C)[C@H]1CCN(c2ccc([NH3+])cc2)C1 ZINC000062965532 346755769 /nfs/dbraw/zinc/75/57/69/346755769.db2.gz PZJDWCYGPDQBKO-LBPRGKRZSA-N 2 2 205.305 1.409 10 10 BDCELP [NH3+]C[C@H]([NH3+])c1ccc(Br)cc1O ZINC000072201262 384816032 /nfs/dbraw/zinc/81/60/32/384816032.db2.gz XTTPEMYGYHCJHP-ZETCQYMHSA-N 2 2 231.093 1.113 10 10 BDCELP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C2)c(O)c1 ZINC000042546158 175110240 /nfs/dbraw/zinc/11/02/40/175110240.db2.gz NDQAYGBMPHMRRX-LLVKDONJSA-N 2 2 236.315 1.195 10 10 BDCELP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C2)c(O)c1 ZINC000042546158 175110242 /nfs/dbraw/zinc/11/02/42/175110242.db2.gz NDQAYGBMPHMRRX-LLVKDONJSA-N 2 2 236.315 1.195 10 10 BDCELP C[C@@H](c1ccc(O)cc1O)[N@H+](C)[C@@H]1CC[NH2+]C1 ZINC000071309257 176017278 /nfs/dbraw/zinc/01/72/78/176017278.db2.gz PGOILTCWAWBYNP-VHSXEESVSA-N 2 2 236.315 1.453 10 10 BDCELP C[C@@H](c1ccc(O)cc1O)[N@@H+](C)[C@@H]1CC[NH2+]C1 ZINC000071309257 176017280 /nfs/dbraw/zinc/01/72/80/176017280.db2.gz PGOILTCWAWBYNP-VHSXEESVSA-N 2 2 236.315 1.453 10 10 BDCELP COc1cccc(C[N@@H+]2C[C@H](C)[C@H]([NH3+])C2)c1O ZINC000300048739 592501504 /nfs/dbraw/zinc/50/15/04/592501504.db2.gz MCQVBJZAHDRSDX-GXSJLCMTSA-N 2 2 236.315 1.180 10 10 BDCELP COc1cccc(C[N@H+]2C[C@H](C)[C@H]([NH3+])C2)c1O ZINC000300048739 592501506 /nfs/dbraw/zinc/50/15/06/592501506.db2.gz MCQVBJZAHDRSDX-GXSJLCMTSA-N 2 2 236.315 1.180 10 10 BDCELP Cc1ccc(O)c(C[N@@H+]2CCC[C@H]2C[NH3+])c1 ZINC000168810656 633150088 /nfs/dbraw/zinc/15/00/88/633150088.db2.gz CBYJBSXHZQWQGN-LBPRGKRZSA-N 2 2 220.316 1.624 10 10 BDCELP Cc1ccc(O)c(C[N@H+]2CCC[C@H]2C[NH3+])c1 ZINC000168810656 633150093 /nfs/dbraw/zinc/15/00/93/633150093.db2.gz CBYJBSXHZQWQGN-LBPRGKRZSA-N 2 2 220.316 1.624 10 10 BDCELP [NH3+]CC[C@H]([NH3+])c1ccc(F)c(F)c1O ZINC000306777930 351013601 /nfs/dbraw/zinc/01/36/01/351013601.db2.gz NWVZNYKAIJPPQE-ZETCQYMHSA-N 2 2 202.204 1.019 10 10 BDCELP [NH3+]CC[C@H]([NH3+])c1c(O)cc(F)cc1F ZINC000306870391 351259422 /nfs/dbraw/zinc/25/94/22/351259422.db2.gz VHXRVZCJLNXQFV-ZETCQYMHSA-N 2 2 202.204 1.019 10 10 BDCELP Oc1ccccc1C[NH2+]CCc1c[nH]c[nH+]1 ZINC000083142086 183303253 /nfs/dbraw/zinc/30/32/53/183303253.db2.gz OWMCODAXNFNLCU-UHFFFAOYSA-N 2 2 217.272 1.448 10 10 BDCELP Oc1ccccc1C[NH2+]CCc1c[nH+]c[nH]1 ZINC000083142086 183303254 /nfs/dbraw/zinc/30/32/54/183303254.db2.gz OWMCODAXNFNLCU-UHFFFAOYSA-N 2 2 217.272 1.448 10 10 BDCELP C[NH+]1CCN(c2ccc3c(c2)CC[NH2+]3)CC1 ZINC000032013210 173094364 /nfs/dbraw/zinc/09/43/64/173094364.db2.gz YGUAMVHSGHLQOQ-UHFFFAOYSA-N 2 2 217.316 1.406 10 10 BDCELP C[C@@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000310341828 643634290 /nfs/dbraw/zinc/63/42/90/643634290.db2.gz CZJSLUYFAJLHPA-RISCZKNCSA-N 2 2 233.359 1.674 10 10 BDCELP C[C@@H]1[C@@H]([NH3+])CC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000310341828 643634293 /nfs/dbraw/zinc/63/42/93/643634293.db2.gz CZJSLUYFAJLHPA-RISCZKNCSA-N 2 2 233.359 1.674 10 10 BDCELP Cn1cc[nH+]c1CC[NH2+]c1ccc(N)cc1 ZINC000045118319 188123836 /nfs/dbraw/zinc/12/38/36/188123836.db2.gz GABXFLOOPPYLHK-UHFFFAOYSA-N 2 2 216.288 1.657 10 10 BDCELP COc1ccc([NH+]2CCC(C[NH3+])CC2)cc1 ZINC000038997594 358213250 /nfs/dbraw/zinc/21/32/50/358213250.db2.gz HQXFOJSTHYRNIN-UHFFFAOYSA-N 2 2 220.316 1.870 10 10 BDCELP CN1CCc2cc(C[NH2+][C@@H]3CC[N@H+](C)C3)ccc21 ZINC000050286820 173124220 /nfs/dbraw/zinc/12/42/20/173124220.db2.gz XXCMAHBBOZJSGE-CQSZACIVSA-N 2 2 245.370 1.473 10 10 BDCELP CN1CCc2cc(C[NH2+][C@@H]3CC[N@@H+](C)C3)ccc21 ZINC000050286820 173124221 /nfs/dbraw/zinc/12/42/21/173124221.db2.gz XXCMAHBBOZJSGE-CQSZACIVSA-N 2 2 245.370 1.473 10 10 BDCELP COc1ccc([N@H+](C)CCCC[NH3+])cc1 ZINC000049814336 175135898 /nfs/dbraw/zinc/13/58/98/175135898.db2.gz XNRKKMXQJWYLKW-UHFFFAOYSA-N 2 2 208.305 1.870 10 10 BDCELP COc1ccc([N@@H+](C)CCCC[NH3+])cc1 ZINC000049814336 175135900 /nfs/dbraw/zinc/13/59/00/175135900.db2.gz XNRKKMXQJWYLKW-UHFFFAOYSA-N 2 2 208.305 1.870 10 10 BDCELP [NH3+]C[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1O ZINC000219759847 592240037 /nfs/dbraw/zinc/24/00/37/592240037.db2.gz BOMVADLHBIPBEI-GFCCVEGCSA-N 2 2 238.306 1.845 10 10 BDCELP [NH3+]C[C@H]1CCCC[N@H+]1Cc1cc(F)ccc1O ZINC000219759847 592240041 /nfs/dbraw/zinc/24/00/41/592240041.db2.gz BOMVADLHBIPBEI-GFCCVEGCSA-N 2 2 238.306 1.845 10 10 BDCELP Cc1cc(O)c([C@@H]([NH3+])C[NH3+])cc1Cl ZINC000072200588 178197244 /nfs/dbraw/zinc/19/72/44/178197244.db2.gz ZLFGTUPWPWHSIM-QMMMGPOBSA-N 2 2 200.669 1.313 10 10 BDCELP CN(C)c1ccc(C[N@@H+]2C[C@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000503713167 529780598 /nfs/dbraw/zinc/78/05/98/529780598.db2.gz SGOYOSDWFYUAGY-UKRRQHHQSA-N 2 2 245.370 1.546 10 10 BDCELP CN(C)c1ccc(C[N@H+]2C[C@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000503713167 529780599 /nfs/dbraw/zinc/78/05/99/529780599.db2.gz SGOYOSDWFYUAGY-UKRRQHHQSA-N 2 2 245.370 1.546 10 10 BDCELP [NH3+]CC[C@@H]([NH3+])c1c(O)c(F)ccc1Cl ZINC000307404790 352579835 /nfs/dbraw/zinc/57/98/35/352579835.db2.gz FPZAJCSPJQLLSS-SSDOTTSWSA-N 2 2 218.659 1.533 10 10 BDCELP C[NH+]1CCC([NH2+]Cc2cccc(F)c2O)CC1 ZINC000083366102 388049154 /nfs/dbraw/zinc/04/91/54/388049154.db2.gz QYEQVZBRXRNYCD-UHFFFAOYSA-N 2 2 238.306 1.715 10 10 BDCELP [NH3+]C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1O ZINC000072200994 343069413 /nfs/dbraw/zinc/06/94/13/343069413.db2.gz QZERGLMIQNZNKG-ZETCQYMHSA-N 2 2 220.194 1.370 10 10 BDCELP CCN(CC)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC000072200705 343069604 /nfs/dbraw/zinc/06/96/04/343069604.db2.gz VPHDGNGIKRYQGA-GFCCVEGCSA-N 2 2 207.321 1.491 10 10 BDCELP [NH3+]CC[C@@H]([NH3+])c1c(O)cc(F)cc1F ZINC000306870390 353042626 /nfs/dbraw/zinc/04/26/26/353042626.db2.gz VHXRVZCJLNXQFV-SSDOTTSWSA-N 2 2 202.204 1.019 10 10 BDCELP [NH3+]C[C@H]([NH3+])c1cccc(Br)c1O ZINC000072201260 384815266 /nfs/dbraw/zinc/81/52/66/384815266.db2.gz YFUABXYDRYMKCG-ZETCQYMHSA-N 2 2 231.093 1.113 10 10 BDCELP [NH3+]CCC[C@@H]([NH3+])c1cc([N+](=O)[O-])ccc1O ZINC000575438800 387119691 /nfs/dbraw/zinc/11/96/91/387119691.db2.gz MOUQGMSNGXDMLJ-SECBINFHSA-N 2 2 225.248 1.039 10 10 BDCELP [NH3+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1O ZINC000044540103 641606023 /nfs/dbraw/zinc/60/60/23/641606023.db2.gz ZUYDHJXXMPYPMP-LBPRGKRZSA-N 2 2 220.316 1.705 10 10 BDCELP [NH3+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1O ZINC000044540103 641606028 /nfs/dbraw/zinc/60/60/28/641606028.db2.gz ZUYDHJXXMPYPMP-LBPRGKRZSA-N 2 2 220.316 1.705 10 10 BDCELP Cc1cc(O)c([C@H]([NH3+])C[NH3+])c(C)c1Cl ZINC000072200879 178197537 /nfs/dbraw/zinc/19/75/37/178197537.db2.gz OBIKJBBCDJUYQP-SSDOTTSWSA-N 2 2 214.696 1.621 10 10 BDCELP [NH3+]C[C@@H]([NH3+])c1cc(OC(F)(F)F)ccc1O ZINC000072201329 343069815 /nfs/dbraw/zinc/06/98/15/343069815.db2.gz KYMLBNMKNJWQTN-SSDOTTSWSA-N 2 2 236.193 1.249 10 10 BDCELP [NH3+]CC[C@@H]([NH3+])c1c(F)ccc(F)c1O ZINC000306669971 362032518 /nfs/dbraw/zinc/03/25/18/362032518.db2.gz BXRZVOCCCSBSEO-SSDOTTSWSA-N 2 2 202.204 1.019 10 10 BDCELP [NH3+][C@@H](Cn1cc[nH+]c1)c1ccccc1O ZINC000011848851 345031468 /nfs/dbraw/zinc/03/14/68/345031468.db2.gz LXDVDJUFXHBMEM-JTQLQIEISA-N 2 2 203.245 1.289 10 10 BDCELP [NH3+]CC[C@H]([NH3+])c1c(O)c(F)ccc1Cl ZINC000306716080 350875064 /nfs/dbraw/zinc/87/50/64/350875064.db2.gz FPZAJCSPJQLLSS-ZETCQYMHSA-N 2 2 218.659 1.533 10 10 BDCELP [NH3+]C[C@H]([NH3+])c1cc(Br)ccc1O ZINC000072201254 385333873 /nfs/dbraw/zinc/33/38/73/385333873.db2.gz QINNUTRHTCDMQB-ZETCQYMHSA-N 2 2 231.093 1.113 10 10 BDCELP CN1CCc2cc([C@H](C[NH3+])[NH+]3CCCC3)ccc21 ZINC000034936241 173172669 /nfs/dbraw/zinc/17/26/69/173172669.db2.gz JBQRHIFZTANXKI-HNNXBMFYSA-N 2 2 245.370 1.775 10 10 BDCELP C[C@@H](c1cc(O)ccc1O)[N@@H+]1CCC[NH2+]CC1 ZINC000038086826 176013573 /nfs/dbraw/zinc/01/35/73/176013573.db2.gz IBZDYBVNBHBQPP-JTQLQIEISA-N 2 2 236.315 1.454 10 10 BDCELP C[C@@H](c1cc(O)ccc1O)[N@H+]1CCC[NH2+]CC1 ZINC000038086826 176013575 /nfs/dbraw/zinc/01/35/75/176013575.db2.gz IBZDYBVNBHBQPP-JTQLQIEISA-N 2 2 236.315 1.454 10 10 BDCELP C[C@H](c1ccc(O)cc1O)[N@H+](C)[C@@H]1CC[NH2+]C1 ZINC000071309259 177035645 /nfs/dbraw/zinc/03/56/45/177035645.db2.gz PGOILTCWAWBYNP-NXEZZACHSA-N 2 2 236.315 1.453 10 10 BDCELP C[C@H](c1ccc(O)cc1O)[N@@H+](C)[C@@H]1CC[NH2+]C1 ZINC000071309259 177035647 /nfs/dbraw/zinc/03/56/47/177035647.db2.gz PGOILTCWAWBYNP-NXEZZACHSA-N 2 2 236.315 1.453 10 10 BDCELP Cc1cc(Cl)c(O)c([C@@H]([NH3+])C[NH3+])c1 ZINC000072200572 178060689 /nfs/dbraw/zinc/06/06/89/178060689.db2.gz JCDPFZODOFOTKX-QMMMGPOBSA-N 2 2 200.669 1.313 10 10 BDCELP Cc1cc(O)c([C@@H]([NH3+])C[NH3+])c(C)c1Cl ZINC000072200880 178197700 /nfs/dbraw/zinc/19/77/00/178197700.db2.gz OBIKJBBCDJUYQP-ZETCQYMHSA-N 2 2 214.696 1.621 10 10 BDCELP [NH3+]CC[C@H]([NH3+])c1cc(F)cc(Cl)c1O ZINC000306608830 360568215 /nfs/dbraw/zinc/56/82/15/360568215.db2.gz JPCOHOQYQRHVSD-QMMMGPOBSA-N 2 2 218.659 1.533 10 10 BDCELP Oc1ccc(C[NH2+]CCCn2cc[nH+]c2)c(O)c1 ZINC000020506310 183270825 /nfs/dbraw/zinc/27/08/25/183270825.db2.gz SJCTXVCQEXLFBB-UHFFFAOYSA-N 2 2 247.298 1.474 10 10 BDCELP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc(F)c1O ZINC000158716799 384259486 /nfs/dbraw/zinc/25/94/86/384259486.db2.gz YOLXGWKNUZZRMF-JTQLQIEISA-N 2 2 249.289 1.906 10 10 BDCELP C[NH2+]Cc1ccc(OC)c(Cn2cc[nH+]c2)c1 ZINC000016942125 173388975 /nfs/dbraw/zinc/38/89/75/173388975.db2.gz OFHFCABZHXXEEI-UHFFFAOYSA-N 2 2 231.299 1.659 10 10 BDCELP Cc1cc([C@H]([NH3+])C[NH3+])c(O)cc1Cl ZINC000072200583 178263239 /nfs/dbraw/zinc/26/32/39/178263239.db2.gz FLDZYCFUUIPOQL-MRVPVSSYSA-N 2 2 200.669 1.313 10 10 BDCELP Nc1ccc(C[NH2+]CC[NH+]2CCCC2)cc1 ZINC000148260724 345408559 /nfs/dbraw/zinc/40/85/59/345408559.db2.gz ZYCBZVXAZKJTCK-UHFFFAOYSA-N 2 2 219.332 1.454 10 10 BDCELP C[NH+]1CC2(C1)CC[NH+](c1ccc(N)cc1)CC2 ZINC000095938063 384417168 /nfs/dbraw/zinc/41/71/68/384417168.db2.gz IBCZPTAGYUMVFX-UHFFFAOYSA-N 2 2 231.343 1.801 10 10 BDCELP C[C@H]([NH3+])c1ccc(N2CCn3cc[nH+]c3C2)cc1 ZINC000062252889 132387608 /nfs/dbraw/zinc/38/76/08/132387608.db2.gz GNOSWZAPWDAYCO-NSHDSACASA-N 2 2 242.326 1.923 10 10 BDCELP CN(CCCn1cc[nH+]c1)c1ccc(C[NH3+])cc1 ZINC000049327494 172723404 /nfs/dbraw/zinc/72/34/04/172723404.db2.gz HSESVKSBMQPXIP-UHFFFAOYSA-N 2 2 244.342 1.868 10 10 BDCELP C[C@@H](c1ccc(F)cc1O)[N@H+](C)[C@@H]1CC[NH2+]C1 ZINC000071309881 176015563 /nfs/dbraw/zinc/01/55/63/176015563.db2.gz PMPKBZHTWIAYKU-GXSJLCMTSA-N 2 2 238.306 1.886 10 10 BDCELP C[C@@H](c1ccc(F)cc1O)[N@@H+](C)[C@@H]1CC[NH2+]C1 ZINC000071309881 176015564 /nfs/dbraw/zinc/01/55/64/176015564.db2.gz PMPKBZHTWIAYKU-GXSJLCMTSA-N 2 2 238.306 1.886 10 10 BDCELP CC(C)(C)Oc1ccc(O)c([C@H]([NH3+])C[NH3+])c1 ZINC000072201131 343069660 /nfs/dbraw/zinc/06/96/60/343069660.db2.gz UTGZOBNFOFYNGD-SNVBAGLBSA-N 2 2 224.304 1.528 10 10 BDCELP CCC[NH2+][C@@H](C[NH3+])c1ccc2c(c1)CCN2C ZINC000050287365 169279857 /nfs/dbraw/zinc/27/98/57/169279857.db2.gz VTEKMQNSVJBEMS-ZDUSSCGKSA-N 2 2 233.359 1.678 10 10 BDCELP COc1cccc(C[NH2+]CCc2c[nH]c[nH+]2)c1O ZINC000083376913 175264171 /nfs/dbraw/zinc/26/41/71/175264171.db2.gz UMBHCYTUQMUOFW-UHFFFAOYSA-N 2 2 247.298 1.456 10 10 BDCELP COc1cccc(C[NH2+]CCc2c[nH+]c[nH]2)c1O ZINC000083376913 175264173 /nfs/dbraw/zinc/26/41/73/175264173.db2.gz UMBHCYTUQMUOFW-UHFFFAOYSA-N 2 2 247.298 1.456 10 10 BDCELP C[C@@H](c1ccc(F)cc1O)[N@H+](C)CC[NH3+] ZINC000062749324 176015144 /nfs/dbraw/zinc/01/51/44/176015144.db2.gz WQJUXESGJPZASU-QMMMGPOBSA-N 2 2 212.268 1.483 10 10 BDCELP C[C@@H](c1ccc(F)cc1O)[N@@H+](C)CC[NH3+] ZINC000062749324 176015146 /nfs/dbraw/zinc/01/51/46/176015146.db2.gz WQJUXESGJPZASU-QMMMGPOBSA-N 2 2 212.268 1.483 10 10 BDCELP C[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2)C[C@@H]1[NH3+] ZINC000235658853 635584052 /nfs/dbraw/zinc/58/40/52/635584052.db2.gz LBKIXPNWTVAPAT-FZMZJTMJSA-N 2 2 233.359 1.532 10 10 BDCELP C[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)C[C@@H]1[NH3+] ZINC000235658853 635584062 /nfs/dbraw/zinc/58/40/62/635584062.db2.gz LBKIXPNWTVAPAT-FZMZJTMJSA-N 2 2 233.359 1.532 10 10 BDCELP CN(C)c1ccc([C@H]([NH3+])C[NH3+])c(Cl)c1 ZINC000044469483 345084847 /nfs/dbraw/zinc/08/48/47/345084847.db2.gz PHPMFNRJIHCCBI-SNVBAGLBSA-N 2 2 213.712 1.365 10 10 BDCELP [NH3+]CC[C@H]([NH3+])c1ccc(F)c(Cl)c1O ZINC000306611079 360793315 /nfs/dbraw/zinc/79/33/15/360793315.db2.gz LMHLLRCRDLHTGJ-ZETCQYMHSA-N 2 2 218.659 1.533 10 10 BDCELP [NH3+]Cc1ccc(N2CCn3cc[nH+]c3C2)c(F)c1 ZINC000062245223 132387376 /nfs/dbraw/zinc/38/73/76/132387376.db2.gz QAXJYTHIIOMFOF-UHFFFAOYSA-N 2 2 246.289 1.501 10 10 BDCELP C[C@@H](c1cc(O)ccc1O)[N@H+](C)CC[NH3+] ZINC000054416680 176013385 /nfs/dbraw/zinc/01/33/85/176013385.db2.gz PQMIVHDXRKJFLM-QMMMGPOBSA-N 2 2 210.277 1.049 10 10 BDCELP C[C@@H](c1cc(O)ccc1O)[N@@H+](C)CC[NH3+] ZINC000054416680 176013387 /nfs/dbraw/zinc/01/33/87/176013387.db2.gz PQMIVHDXRKJFLM-QMMMGPOBSA-N 2 2 210.277 1.049 10 10 BDCELP Cc1cc(Cl)c(C)c([C@@H]([NH3+])C[NH3+])c1O ZINC000072200886 178060302 /nfs/dbraw/zinc/06/03/02/178060302.db2.gz HIIQLVXFUHXFNY-QMMMGPOBSA-N 2 2 214.696 1.621 10 10 BDCELP [NH3+][C@H](Cn1cc[nH+]c1)c1ccccc1O ZINC000011848852 345031358 /nfs/dbraw/zinc/03/13/58/345031358.db2.gz LXDVDJUFXHBMEM-SNVBAGLBSA-N 2 2 203.245 1.289 10 10 BDCELP Cc1[nH+]c2c(ccc(O)c2C[NH+](C)C)n1C ZINC000230463981 350602861 /nfs/dbraw/zinc/60/28/61/350602861.db2.gz GLNGEWZHEVFJIO-UHFFFAOYSA-N 2 2 219.288 1.649 10 10 BDCELP [NH3+]CC[NH2+]Cc1cc(Cl)ccc1O ZINC000037712464 181397677 /nfs/dbraw/zinc/39/76/77/181397677.db2.gz JUYCWIJWFDUTJR-UHFFFAOYSA-N 2 2 200.669 1.094 10 10 BDCELP CN1CCCc2cc([C@H]([NH3+])C[NH3+])ccc21 ZINC000044474115 536398402 /nfs/dbraw/zinc/39/84/02/536398402.db2.gz JLRADLKEGBGVDD-LLVKDONJSA-N 2 2 205.305 1.028 10 10 BDCELP COc1ccc(O)c(C[N@@H+]2C[C@H](C)[C@H]([NH3+])C2)c1 ZINC000300050363 592501564 /nfs/dbraw/zinc/50/15/64/592501564.db2.gz ZEHABPDOEIDVAI-JOYOIKCWSA-N 2 2 236.315 1.180 10 10 BDCELP COc1ccc(O)c(C[N@H+]2C[C@H](C)[C@H]([NH3+])C2)c1 ZINC000300050363 592501565 /nfs/dbraw/zinc/50/15/65/592501565.db2.gz ZEHABPDOEIDVAI-JOYOIKCWSA-N 2 2 236.315 1.180 10 10 BDCELP CCN(CC)c1ccc([C@@H]([NH3+])C[NH3+])c(O)c1 ZINC000072201086 343069418 /nfs/dbraw/zinc/06/94/18/343069418.db2.gz SSZCECVFRVMQQR-NSHDSACASA-N 2 2 223.320 1.197 10 10 BDCELP C[NH+](C)[C@@H]1CCN(c2ccc([NH3+])cc2)C1 ZINC000062965531 346755894 /nfs/dbraw/zinc/75/58/94/346755894.db2.gz PZJDWCYGPDQBKO-GFCCVEGCSA-N 2 2 205.305 1.409 10 10 BDCELP [NH3+]CC[C@@H]([NH3+])c1c(O)c(Cl)ccc1F ZINC000307064139 351460742 /nfs/dbraw/zinc/46/07/42/351460742.db2.gz PTOVJSNDGPKBPN-SSDOTTSWSA-N 2 2 218.659 1.533 10 10 BDCELP CCC[NH2+][C@H](C[NH3+])c1ccc2c(c1)CCN2C ZINC000050287367 169289031 /nfs/dbraw/zinc/28/90/31/169289031.db2.gz VTEKMQNSVJBEMS-CYBMUJFWSA-N 2 2 233.359 1.678 10 10 BDCELP C[C@@H](c1ccc(O)cc1O)[N@H+](C)CC[NH3+] ZINC000054416763 176016943 /nfs/dbraw/zinc/01/69/43/176016943.db2.gz PHMGAWQFRRNBCA-QMMMGPOBSA-N 2 2 210.277 1.049 10 10 BDCELP C[C@@H](c1ccc(O)cc1O)[N@@H+](C)CC[NH3+] ZINC000054416763 176016945 /nfs/dbraw/zinc/01/69/45/176016945.db2.gz PHMGAWQFRRNBCA-QMMMGPOBSA-N 2 2 210.277 1.049 10 10 BDCELP C[C@H]1C[N@H+](Cc2cc(F)ccc2O)C[C@H]1[NH3+] ZINC000300334491 592507644 /nfs/dbraw/zinc/50/76/44/592507644.db2.gz ZDRICQJKBPTZCJ-GZMMTYOYSA-N 2 2 224.279 1.310 10 10 BDCELP C[C@H]1C[N@@H+](Cc2cc(F)ccc2O)C[C@H]1[NH3+] ZINC000300334491 592507646 /nfs/dbraw/zinc/50/76/46/592507646.db2.gz ZDRICQJKBPTZCJ-GZMMTYOYSA-N 2 2 224.279 1.310 10 10 BDCELP Oc1ccc(F)cc1C[NH2+]CCc1c[nH]c[nH+]1 ZINC000083362119 183275368 /nfs/dbraw/zinc/27/53/68/183275368.db2.gz RHDAYXBFFIKSFQ-UHFFFAOYSA-N 2 2 235.262 1.587 10 10 BDCELP Oc1ccc(F)cc1C[NH2+]CCc1c[nH+]c[nH]1 ZINC000083362119 183275371 /nfs/dbraw/zinc/27/53/71/183275371.db2.gz RHDAYXBFFIKSFQ-UHFFFAOYSA-N 2 2 235.262 1.587 10 10 BDCELP [NH3+]C[C@@H]([NH3+])c1ccc(Br)cc1O ZINC000072201261 384814772 /nfs/dbraw/zinc/81/47/72/384814772.db2.gz XTTPEMYGYHCJHP-SSDOTTSWSA-N 2 2 231.093 1.113 10 10 BDCELP [NH3+]CCC[C@H]([NH3+])c1cc([N+](=O)[O-])ccc1O ZINC000575438642 387131052 /nfs/dbraw/zinc/13/10/52/387131052.db2.gz MOUQGMSNGXDMLJ-VIFPVBQESA-N 2 2 225.248 1.039 10 10 BDCELP C[NH+]1CCN(c2ccc3c(c2)CCC[NH2+]3)CC1 ZINC000032016112 132335175 /nfs/dbraw/zinc/33/51/75/132335175.db2.gz WDOKFZCTKJRFCT-UHFFFAOYSA-N 2 2 231.343 1.797 10 10 BDCELP C[C@H]1C[N@H+](Cc2c(O)cccc2Cl)C[C@H]1[NH3+] ZINC000300049415 592501264 /nfs/dbraw/zinc/50/12/64/592501264.db2.gz ROEUHOPQVGYQPW-GZMMTYOYSA-N 2 2 240.734 1.825 10 10 BDCELP C[C@H]1C[N@@H+](Cc2c(O)cccc2Cl)C[C@H]1[NH3+] ZINC000300049415 592501268 /nfs/dbraw/zinc/50/12/68/592501268.db2.gz ROEUHOPQVGYQPW-GZMMTYOYSA-N 2 2 240.734 1.825 10 10 BDCELP [NH3+]CC[C@@H]([NH3+])c1cc(Cl)cc(F)c1O ZINC000306959064 351381862 /nfs/dbraw/zinc/38/18/62/351381862.db2.gz WYBNQTHDRGIVJF-MRVPVSSYSA-N 2 2 218.659 1.533 10 10 BDCELP COc1ccc(O)c(C[NH2+]CCc2c[nH]c[nH+]2)c1 ZINC000083376918 175158766 /nfs/dbraw/zinc/15/87/66/175158766.db2.gz XWXDGVMWDBUXAJ-UHFFFAOYSA-N 2 2 247.298 1.456 10 10 BDCELP COc1ccc(O)c(C[NH2+]CCc2c[nH+]c[nH]2)c1 ZINC000083376918 175158768 /nfs/dbraw/zinc/15/87/68/175158768.db2.gz XWXDGVMWDBUXAJ-UHFFFAOYSA-N 2 2 247.298 1.456 10 10 BDCELP C[C@H](c1ccc(F)cc1O)[N@H+](C)CC[NH3+] ZINC000062749325 177033918 /nfs/dbraw/zinc/03/39/18/177033918.db2.gz WQJUXESGJPZASU-MRVPVSSYSA-N 2 2 212.268 1.483 10 10 BDCELP C[C@H](c1ccc(F)cc1O)[N@@H+](C)CC[NH3+] ZINC000062749325 177033920 /nfs/dbraw/zinc/03/39/20/177033920.db2.gz WQJUXESGJPZASU-MRVPVSSYSA-N 2 2 212.268 1.483 10 10 BDCELP [NH3+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1O ZINC000044540101 641604434 /nfs/dbraw/zinc/60/44/34/641604434.db2.gz ZUYDHJXXMPYPMP-GFCCVEGCSA-N 2 2 220.316 1.705 10 10 BDCELP [NH3+]C[C@H]1CCCC[N@H+]1Cc1ccccc1O ZINC000044540101 641604445 /nfs/dbraw/zinc/60/44/45/641604445.db2.gz ZUYDHJXXMPYPMP-GFCCVEGCSA-N 2 2 220.316 1.705 10 10 BDCELP Cc1cc(Cl)c(O)c([C@H]([NH3+])C[NH3+])c1 ZINC000072200571 178060774 /nfs/dbraw/zinc/06/07/74/178060774.db2.gz JCDPFZODOFOTKX-MRVPVSSYSA-N 2 2 200.669 1.313 10 10 BDCELP CCN(CC)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC000072200706 343069537 /nfs/dbraw/zinc/06/95/37/343069537.db2.gz VPHDGNGIKRYQGA-LBPRGKRZSA-N 2 2 207.321 1.491 10 10 BDCELP [NH3+]C[C@@H]([NH3+])c1ccc(N2CCCC2)cc1 ZINC000044469338 384733291 /nfs/dbraw/zinc/73/32/91/384733291.db2.gz FFRGKQMGQILGED-GFCCVEGCSA-N 2 2 205.305 1.245 10 10 BDCELP C[N+](C)(C)CCC[NH2+]c1ccc(N)cc1 ZINC000082123940 717135366 /nfs/dbraw/zinc/13/53/66/717135366.db2.gz MXNKHIBQDLCQLG-UHFFFAOYSA-N 2 2 208.329 1.777 10 10 BDCELP Cc1cc([C@@H]([NH3+])C[NH3+])c(O)cc1Cl ZINC000072200584 178236244 /nfs/dbraw/zinc/23/62/44/178236244.db2.gz FLDZYCFUUIPOQL-QMMMGPOBSA-N 2 2 200.669 1.313 10 10 BDCELP [NH3+]C[C@@H]([NH3+])c1c(O)ccc2ccccc21 ZINC000072200599 343069300 /nfs/dbraw/zinc/06/93/00/343069300.db2.gz MKZQJRQOTMJVNJ-SNVBAGLBSA-N 2 2 202.257 1.504 10 10 BDCELP C[C@H]1[C@H]([NH3+])CC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000310341830 634126950 /nfs/dbraw/zinc/12/69/50/634126950.db2.gz CZJSLUYFAJLHPA-SMDDNHRTSA-N 2 2 233.359 1.674 10 10 BDCELP C[C@H]1[C@H]([NH3+])CC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000310341830 634126956 /nfs/dbraw/zinc/12/69/56/634126956.db2.gz CZJSLUYFAJLHPA-SMDDNHRTSA-N 2 2 233.359 1.674 10 10 BDCELP C[NH2+][C@@H](C[NH3+])c1ccc2c(c1)CCCN2C ZINC000050287354 536354861 /nfs/dbraw/zinc/35/48/61/536354861.db2.gz SHKULACKCZCQNI-LBPRGKRZSA-N 2 2 219.332 1.288 10 10 BDCELP COc1ccc(O)c(C[N@@H+]2CCC[C@H]2C[NH3+])c1 ZINC000131367486 591604847 /nfs/dbraw/zinc/60/48/47/591604847.db2.gz SDUPXDBMIBYNCW-NSHDSACASA-N 2 2 236.315 1.324 10 10 BDCELP COc1ccc(O)c(C[N@H+]2CCC[C@H]2C[NH3+])c1 ZINC000131367486 591604850 /nfs/dbraw/zinc/60/48/50/591604850.db2.gz SDUPXDBMIBYNCW-NSHDSACASA-N 2 2 236.315 1.324 10 10 BDCELP [NH3+]CC[C@H]([NH3+])c1c(F)ccc(F)c1O ZINC000306858076 351184524 /nfs/dbraw/zinc/18/45/24/351184524.db2.gz BXRZVOCCCSBSEO-ZETCQYMHSA-N 2 2 202.204 1.019 10 10 BDCELP C[C@H]1C[N@H+](Cc2cc(Cl)ccc2O)C[C@H]1[NH3+] ZINC000300047732 592501011 /nfs/dbraw/zinc/50/10/11/592501011.db2.gz FJIKTTBFKNAXJO-GZMMTYOYSA-N 2 2 240.734 1.825 10 10 BDCELP C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2O)C[C@H]1[NH3+] ZINC000300047732 592501013 /nfs/dbraw/zinc/50/10/13/592501013.db2.gz FJIKTTBFKNAXJO-GZMMTYOYSA-N 2 2 240.734 1.825 10 10 BDCELP [NH3+]C[C@@H]([NH3+])c1cc(C(F)(F)F)ccc1O ZINC000072200993 343069499 /nfs/dbraw/zinc/06/94/99/343069499.db2.gz QZERGLMIQNZNKG-SSDOTTSWSA-N 2 2 220.194 1.370 10 10 BDCELP CN(C)c1ccc(C[N@H+]2C[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000503713172 529780813 /nfs/dbraw/zinc/78/08/13/529780813.db2.gz SGOYOSDWFYUAGY-ZFWWWQNUSA-N 2 2 245.370 1.546 10 10 BDCELP CN(C)c1ccc(C[N@@H+]2C[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000503713172 529780814 /nfs/dbraw/zinc/78/08/14/529780814.db2.gz SGOYOSDWFYUAGY-ZFWWWQNUSA-N 2 2 245.370 1.546 10 10 BDCELP [NH3+]C[C@H]([NH3+])c1ccc(N2CCCC2)cc1 ZINC000044469341 384734964 /nfs/dbraw/zinc/73/49/64/384734964.db2.gz FFRGKQMGQILGED-LBPRGKRZSA-N 2 2 205.305 1.245 10 10 BDCELP CN1CCc2cc([C@H](C[NH3+])[NH2+]C3CC3)ccc21 ZINC000050287382 173172760 /nfs/dbraw/zinc/17/27/60/173172760.db2.gz JUVAURIGCDKZJD-ZDUSSCGKSA-N 2 2 231.343 1.431 10 10 BDCELP [NH3+]C[C@@H]([NH3+])c1cc(Br)ccc1O ZINC000072201253 384816099 /nfs/dbraw/zinc/81/60/99/384816099.db2.gz QINNUTRHTCDMQB-SSDOTTSWSA-N 2 2 231.093 1.113 10 10 BDCELP C[C@H](c1cc(O)ccc1O)[N@@H+]1CCC[NH2+]CC1 ZINC000038086827 177031464 /nfs/dbraw/zinc/03/14/64/177031464.db2.gz IBZDYBVNBHBQPP-SNVBAGLBSA-N 2 2 236.315 1.454 10 10 BDCELP C[C@H](c1cc(O)ccc1O)[N@H+]1CCC[NH2+]CC1 ZINC000038086827 177031466 /nfs/dbraw/zinc/03/14/66/177031466.db2.gz IBZDYBVNBHBQPP-SNVBAGLBSA-N 2 2 236.315 1.454 10 10 BDCELP [NH3+][C@H](c1ccccc1O)[C@@H]([NH3+])c1ccccc1O ZINC000022457414 343049480 /nfs/dbraw/zinc/04/94/80/343049480.db2.gz MRNPLGLZBUDMRE-OKILXGFUSA-N 2 2 244.294 1.798 10 10 BDCELP [NH3+]C[C@H]([NH3+])c1c(O)ccc2ccccc21 ZINC000072200600 343069035 /nfs/dbraw/zinc/06/90/35/343069035.db2.gz MKZQJRQOTMJVNJ-JTQLQIEISA-N 2 2 202.257 1.504 10 10 BDCELP Oc1cccc(C[NH2+]CCCn2cc[nH+]c2)c1O ZINC000041116767 183289874 /nfs/dbraw/zinc/28/98/74/183289874.db2.gz BSAPTKYNVIFPOE-UHFFFAOYSA-N 2 2 247.298 1.474 10 10 BDCELP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc(F)c1O ZINC000158716939 384260317 /nfs/dbraw/zinc/26/03/17/384260317.db2.gz YOLXGWKNUZZRMF-SNVBAGLBSA-N 2 2 249.289 1.906 10 10 BDCELP CCN(CC)c1ccc([C@H]([NH3+])C[NH3+])c(O)c1 ZINC000072201085 343069717 /nfs/dbraw/zinc/06/97/17/343069717.db2.gz SSZCECVFRVMQQR-LLVKDONJSA-N 2 2 223.320 1.197 10 10 BDCELP CN1CCc2cc(C[NH2+][C@H]3CC[N@H+](C)C3)ccc21 ZINC000050286819 173152992 /nfs/dbraw/zinc/15/29/92/173152992.db2.gz XXCMAHBBOZJSGE-AWEZNQCLSA-N 2 2 245.370 1.473 10 10 BDCELP CN1CCc2cc(C[NH2+][C@H]3CC[N@@H+](C)C3)ccc21 ZINC000050286819 173152994 /nfs/dbraw/zinc/15/29/94/173152994.db2.gz XXCMAHBBOZJSGE-AWEZNQCLSA-N 2 2 245.370 1.473 10 10 BDCELP CN1CCc2cc([C@@H](C[NH3+])[NH+]3CCCC3)ccc21 ZINC000034936240 173171522 /nfs/dbraw/zinc/17/15/22/173171522.db2.gz JBQRHIFZTANXKI-OAHLLOKOSA-N 2 2 245.370 1.775 10 10 BDCELP CN(C)c1ccc(C[N@@H+]2CCC[C@H]2C[NH3+])cc1 ZINC000131377674 591605333 /nfs/dbraw/zinc/60/53/33/591605333.db2.gz NNMLTIGJXBQIBN-AWEZNQCLSA-N 2 2 233.359 1.676 10 10 BDCELP CN(C)c1ccc(C[N@H+]2CCC[C@H]2C[NH3+])cc1 ZINC000131377674 591605336 /nfs/dbraw/zinc/60/53/36/591605336.db2.gz NNMLTIGJXBQIBN-AWEZNQCLSA-N 2 2 233.359 1.676 10 10 BDCELP [NH3+]C[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1O ZINC000220305993 592299876 /nfs/dbraw/zinc/29/98/76/592299876.db2.gz SQGNTHRSYZZBOD-NSHDSACASA-N 2 2 224.279 1.454 10 10 BDCELP C[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2)C[C@H]1[NH3+] ZINC000300048539 592501020 /nfs/dbraw/zinc/50/10/20/592501020.db2.gz LBKIXPNWTVAPAT-SMDDNHRTSA-N 2 2 233.359 1.532 10 10 BDCELP C[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)C[C@H]1[NH3+] ZINC000300048539 592501022 /nfs/dbraw/zinc/50/10/22/592501022.db2.gz LBKIXPNWTVAPAT-SMDDNHRTSA-N 2 2 233.359 1.532 10 10 BDCELP Nc1ccc([NH2+]CCCn2cc[nH+]c2)cc1 ZINC000020506317 343140183 /nfs/dbraw/zinc/14/01/83/343140183.db2.gz XZFPSFXBYVVRCE-UHFFFAOYSA-N 2 2 216.288 1.968 10 10 BDCELP CN1CCc2cc([C@@H](C[NH3+])[NH2+]C3CC3)ccc21 ZINC000050287380 173171872 /nfs/dbraw/zinc/17/18/72/173171872.db2.gz JUVAURIGCDKZJD-CYBMUJFWSA-N 2 2 231.343 1.431 10 10 BDCELP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cccc(F)c1O ZINC000158739454 384287774 /nfs/dbraw/zinc/28/77/74/384287774.db2.gz ZZVKZIVAMOXOKI-JTQLQIEISA-N 2 2 240.322 1.961 10 10 BDCELP C[C@H](CC[NH+](C)C)[NH2+]Cc1cccc(F)c1O ZINC000158739597 384288441 /nfs/dbraw/zinc/28/84/41/384288441.db2.gz ZZVKZIVAMOXOKI-SNVBAGLBSA-N 2 2 240.322 1.961 10 10 BDCELP C[NH2+][C@H](C[NH3+])c1ccc2c(c1)CCCN2C ZINC000050287356 132358942 /nfs/dbraw/zinc/35/89/42/132358942.db2.gz SHKULACKCZCQNI-GFCCVEGCSA-N 2 2 219.332 1.288 10 10 BDCELP