smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(O)c(C[N@@H+](C)CC(N)=O)c1 ZINC000132596138 538016089 /nfs/dbraw/zinc/01/60/89/538016089.db2.gz XPFHERMVLUDAST-UHFFFAOYSA-N 1 1 208.261 0.618 20 10 BCCDMO NC(=O)[C@H]1C[N@@H+](Cc2ccccc2O)CCO1 ZINC000179566474 181283222 /nfs/dbraw/zinc/28/32/22/181283222.db2.gz WWTRFKQTVIVXKR-LLVKDONJSA-N 1 1 236.271 0.078 20 10 BCCDMO OC[C@@H]1C[C@H](O)C[N@@H+]1Cc1cccc(F)c1O ZINC000274897537 183128947 /nfs/dbraw/zinc/12/89/47/183128947.db2.gz GEVAAXUOAVHBNQ-UWVGGRQHSA-N 1 1 241.262 0.459 20 10 BCCDMO OC[C@@H]1C[C@H](O)C[N@H+]1Cc1cccc(F)c1O ZINC000274897537 183128952 /nfs/dbraw/zinc/12/89/52/183128952.db2.gz GEVAAXUOAVHBNQ-UWVGGRQHSA-N 1 1 241.262 0.459 20 10 BCCDMO CC[N@@H+](C)CCNC(=O)c1cccc(O)c1O ZINC000126386399 384795620 /nfs/dbraw/zinc/79/56/20/384795620.db2.gz IEZUIPKFXPMSOT-UHFFFAOYSA-N 1 1 238.287 0.779 20 10 BCCDMO CC[N@@H+](CC(N)=O)Cc1cccc(OC)c1O ZINC000188466130 385055398 /nfs/dbraw/zinc/05/53/98/385055398.db2.gz NHCDCJHRRUVDSP-UHFFFAOYSA-N 1 1 238.287 0.708 20 10 BCCDMO C[N@H+](Cc1cccc(F)c1O)[C@@H]1COC[C@H]1O ZINC000289562704 386328261 /nfs/dbraw/zinc/32/82/61/386328261.db2.gz JAPMLUXAGXVYMG-GHMZBOCLSA-N 1 1 241.262 0.723 20 10 BCCDMO C[N@@H+](Cc1cccc(F)c1O)[C@@H]1COC[C@H]1O ZINC000289562704 386328264 /nfs/dbraw/zinc/32/82/64/386328264.db2.gz JAPMLUXAGXVYMG-GHMZBOCLSA-N 1 1 241.262 0.723 20 10 BCCDMO C[N@H+]1CCCN(C(=O)Cc2ccc(N)cc2)CC1 ZINC000020217551 173012413 /nfs/dbraw/zinc/01/24/13/173012413.db2.gz ZERHVMZWAMLBBO-UHFFFAOYSA-N 1 1 247.342 0.975 20 10 BCCDMO COc1cccc(C[N@H+](C)CC(N)=O)c1O ZINC000132600302 175253880 /nfs/dbraw/zinc/25/38/80/175253880.db2.gz MCIUBXCRXWUBAI-UHFFFAOYSA-N 1 1 224.260 0.318 20 10 BCCDMO COc1cccc(C[N@@H+](C)CC(N)=O)c1O ZINC000132600302 175253882 /nfs/dbraw/zinc/25/38/82/175253882.db2.gz MCIUBXCRXWUBAI-UHFFFAOYSA-N 1 1 224.260 0.318 20 10 BCCDMO Oc1c(F)cccc1C[NH2+]C[C@@H]1COCCN1 ZINC000530182722 323205792 /nfs/dbraw/zinc/20/57/92/323205792.db2.gz YMMCNQJWXQQZDR-SNVBAGLBSA-N 1 1 240.278 0.609 20 10 BCCDMO C[N@@H+](Cc1ccccc1O)[C@@H]1CCC(=O)NC1=O ZINC000771309783 585592616 /nfs/dbraw/zinc/59/26/16/585592616.db2.gz VEBUNOYFBCCYSI-SNVBAGLBSA-N 1 1 248.282 0.629 20 10 BCCDMO C[C@H]([NH2+]CC[NH3+])c1cc([N+](=O)[O-])ccc1[O-] ZINC000817935414 586842351 /nfs/dbraw/zinc/84/23/51/586842351.db2.gz VIMCDVFQXLKPKK-ZETCQYMHSA-N 1 1 225.248 0.910 20 10 BCCDMO CO[C@@H]1C[N@@H+](Cc2ccccc2O)C[C@H]1O ZINC000825017897 587299107 /nfs/dbraw/zinc/29/91/07/587299107.db2.gz ZPOCZAXKYAUBDG-VXGBXAGGSA-N 1 1 223.272 0.584 20 10 BCCDMO C[C@H](CN)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000841060149 587941877 /nfs/dbraw/zinc/94/18/77/587941877.db2.gz QSKGTBXYHMLOKW-GFCCVEGCSA-N 1 1 249.358 0.960 20 10 BCCDMO Oc1ccccc1CNC[C@H]1C[NH2+]CCCO1 ZINC000841085665 587946065 /nfs/dbraw/zinc/94/60/65/587946065.db2.gz JOIWJTCGTKQTRF-GFCCVEGCSA-N 1 1 236.315 0.860 20 10 BCCDMO C[N@@H+](Cc1ccccc1O)[C@]1(CO)CCOC1 ZINC000862426278 589212242 /nfs/dbraw/zinc/21/22/42/589212242.db2.gz CMLMANSWYIRPKE-ZDUSSCGKSA-N 1 1 237.299 0.975 20 10 BCCDMO Cc1cccc(O)c1C[N@@H+]1CCNC(=O)C1 ZINC000876533701 590210965 /nfs/dbraw/zinc/21/09/65/590210965.db2.gz KWQKNPUCGALFAY-UHFFFAOYSA-N 1 1 220.272 0.632 20 10 BCCDMO Cc1cccc(O)c1C[N@H+]1CCNC(=O)C1 ZINC000876533701 590210966 /nfs/dbraw/zinc/21/09/66/590210966.db2.gz KWQKNPUCGALFAY-UHFFFAOYSA-N 1 1 220.272 0.632 20 10 BCCDMO Cc1cccc(O)c1C[N@@H+](CCO)CCCO ZINC000876723776 590233599 /nfs/dbraw/zinc/23/35/99/590233599.db2.gz HDSLGFJJFHHFNY-UHFFFAOYSA-N 1 1 239.315 0.877 20 10 BCCDMO Cc1cccc(O)c1C[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000876816346 590246051 /nfs/dbraw/zinc/24/60/51/590246051.db2.gz KIJTUJCSOISXSD-JTQLQIEISA-N 1 1 249.314 0.943 20 10 BCCDMO Cc1ccc(C[N@H+]2CC[C@@H](NC(N)=O)C2)c(O)c1 ZINC000876817064 590246106 /nfs/dbraw/zinc/24/61/06/590246106.db2.gz WUEXLUSPLCVTRR-LLVKDONJSA-N 1 1 249.314 0.943 20 10 BCCDMO COc1cccc(C[NH+]2CC(C)(O)C2)c1O ZINC000877581105 590365228 /nfs/dbraw/zinc/36/52/28/590365228.db2.gz NQTNADDFGFEEBV-UHFFFAOYSA-N 1 1 223.272 0.967 20 10 BCCDMO Cc1ccc(O)c(C[N@H+]2CC[C@@H](O)[C@@H](O)C2)c1 ZINC000877748710 590413556 /nfs/dbraw/zinc/41/35/56/590413556.db2.gz KIHBSBMELFBGNV-OLZOCXBDSA-N 1 1 237.299 0.628 20 10 BCCDMO CCC[N@H+](Cc1ccccc1O)C[C@@H](O)CO ZINC000929752705 646283086 /nfs/dbraw/zinc/28/30/86/646283086.db2.gz DZWFQNZJQIQSOX-GFCCVEGCSA-N 1 1 239.315 0.957 20 10 BCCDMO C[C@@H](O)[C@H](O)C[N@@H+](C)Cc1ccccc1O ZINC000929969926 646382424 /nfs/dbraw/zinc/38/24/24/646382424.db2.gz GEXUPUKDCOKKIJ-BXKDBHETSA-N 1 1 225.288 0.566 20 10 BCCDMO CNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC000398531145 711411944 /nfs/dbraw/zinc/41/19/44/711411944.db2.gz XOONWQQAGBVGPA-LLVKDONJSA-N 1 1 234.299 0.960 20 10 BCCDMO [NH3+]C[C@@H]1CN(Cc2ccccc2O)CCCO1 ZINC000313359594 711717722 /nfs/dbraw/zinc/71/77/22/711717722.db2.gz RTVBBDSSZUHRBX-GFCCVEGCSA-N 1 1 236.315 0.942 20 10 BCCDMO Cc1cccc(C[N@H+](C)[C@@H]2COC[C@H]2O)c1O ZINC000289614830 179068687 /nfs/dbraw/zinc/06/86/87/179068687.db2.gz LHXJEUIJWYWJRS-VXGBXAGGSA-N 1 1 237.299 0.892 20 10 BCCDMO Cc1cccc(C[N@H+]2CCOC[C@@H](O)C2)c1O ZINC000294774520 179079971 /nfs/dbraw/zinc/07/99/71/179079971.db2.gz KOLTYAHAZFJABP-LBPRGKRZSA-N 1 1 237.299 0.894 20 10 BCCDMO Cc1cccc(C[N@H+]2C[C@H](O)C[C@H]2CO)c1O ZINC000359973370 179083914 /nfs/dbraw/zinc/08/39/14/179083914.db2.gz KTTRTRYTIRGQTG-NWDGAFQWSA-N 1 1 237.299 0.628 20 10 BCCDMO O=C1NC[C@@H]2C[N@@H+](Cc3ccccc3O)CC[C@@H]12 ZINC000367940010 384965823 /nfs/dbraw/zinc/96/58/23/384965823.db2.gz BIYGSUGMJMJKDB-VXGBXAGGSA-N 1 1 246.310 0.960 20 10 BCCDMO C[C@H](O)C[N@@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000130729000 385278669 /nfs/dbraw/zinc/27/86/69/385278669.db2.gz JPSLZMVTTQAKJF-QMMMGPOBSA-N 1 1 239.271 0.934 20 10 BCCDMO C[N@@H+](CCCO)Cc1cc2c(cc1O)OCO2 ZINC000281641877 385689737 /nfs/dbraw/zinc/68/97/37/385689737.db2.gz ARFHABOULRMNFP-UHFFFAOYSA-N 1 1 239.271 0.935 20 10 BCCDMO [O-]c1c(F)cccc1C[N@@H+]1CCOC[C@H](O)C1 ZINC000294841854 386689624 /nfs/dbraw/zinc/68/96/24/386689624.db2.gz RHBQBXHDFPXOTM-SNVBAGLBSA-N 1 1 241.262 0.724 20 10 BCCDMO Oc1c(F)cccc1C[N@@H+]1CCOC[C@H](O)C1 ZINC000294841854 386689640 /nfs/dbraw/zinc/68/96/40/386689640.db2.gz RHBQBXHDFPXOTM-SNVBAGLBSA-N 1 1 241.262 0.724 20 10 BCCDMO OC[C@@H]1C[C@H](O)C[N@H+]1Cc1cc(F)ccc1O ZINC000187665725 387213267 /nfs/dbraw/zinc/21/32/67/387213267.db2.gz CKTSXLKYPCJSMF-QWRGUYRKSA-N 1 1 241.262 0.459 20 10 BCCDMO C[C@@H]1C[N@H+](Cc2ccccc2O)CC(=O)N1 ZINC000294685721 176307920 /nfs/dbraw/zinc/30/79/20/176307920.db2.gz AFFIVKBHPVHVPG-SECBINFHSA-N 1 1 220.272 0.713 20 10 BCCDMO C[C@@H]1C[N@@H+](Cc2ccccc2O)CC(=O)N1 ZINC000294685721 176307922 /nfs/dbraw/zinc/30/79/22/176307922.db2.gz AFFIVKBHPVHVPG-SECBINFHSA-N 1 1 220.272 0.713 20 10 BCCDMO CN1CC[N@@H+](Cc2ccccc2O)[C@H](CO)C1 ZINC000877643152 583341471 /nfs/dbraw/zinc/34/14/71/583341471.db2.gz AXUYKQPXHDAXDV-LBPRGKRZSA-N 1 1 236.315 0.501 20 10 BCCDMO Cc1ccc(O)c(C[N@@H+]2CCO[C@@H](CO)C2)c1 ZINC000769396312 585555341 /nfs/dbraw/zinc/55/53/41/585555341.db2.gz KKFDCIBWLFAQHS-GFCCVEGCSA-N 1 1 237.299 0.894 20 10 BCCDMO Cc1ccc(O)c(C[N@H+]2CCO[C@@H](CO)C2)c1 ZINC000769396312 585555342 /nfs/dbraw/zinc/55/53/42/585555342.db2.gz KKFDCIBWLFAQHS-GFCCVEGCSA-N 1 1 237.299 0.894 20 10 BCCDMO Cc1cc(C[N@@H+](C)CC(N)=O)ccc1N(C)C ZINC000815017616 586664289 /nfs/dbraw/zinc/66/42/89/586664289.db2.gz QNGFDHWANGOEJQ-UHFFFAOYSA-N 1 1 235.331 0.978 20 10 BCCDMO Cc1ccc(O)c(C[N@H+]2CCOC[C@@H](O)C2)c1 ZINC000824626036 587280432 /nfs/dbraw/zinc/28/04/32/587280432.db2.gz TVGMBARXQWVFKU-LBPRGKRZSA-N 1 1 237.299 0.894 20 10 BCCDMO Oc1c(F)cccc1C[NH2+]C[C@@H]1CNCCO1 ZINC000841099814 587946773 /nfs/dbraw/zinc/94/67/73/587946773.db2.gz YEWLTQCEOGTHCU-JTQLQIEISA-N 1 1 240.278 0.609 20 10 BCCDMO C[N@@H+](CCOCC[NH3+])Cc1cccc(F)c1[O-] ZINC000863651515 589307502 /nfs/dbraw/zinc/30/75/02/589307502.db2.gz KIBKFKTTWKTAGE-UHFFFAOYSA-N 1 1 242.294 0.938 20 10 BCCDMO CNC(=O)C[N@@H+](C)Cc1ccc(C)cc1O ZINC000877642974 590382321 /nfs/dbraw/zinc/38/23/21/590382321.db2.gz YUDUZLZUVHMFAK-UHFFFAOYSA-N 1 1 222.288 0.878 20 10 BCCDMO OC[C@H]1C[N@@H+](Cc2ccccc2O)C[C@H]1CO ZINC000877765091 590420171 /nfs/dbraw/zinc/42/01/71/590420171.db2.gz XNWGVBPJFUEJJT-TXEJJXNPSA-N 1 1 237.299 0.425 20 10 BCCDMO C[C@@H](O)[C@@H](CO)[NH2+]Cc1cc(F)cc(F)c1O ZINC000883144885 591551620 /nfs/dbraw/zinc/55/16/20/591551620.db2.gz FDFBKIBRRYQXPL-LHLIQPBNSA-N 1 1 247.241 0.502 20 10 BCCDMO OCC[NH+](CCO)Cc1cc(F)cc(F)c1O ZINC000895389064 636141354 /nfs/dbraw/zinc/14/13/54/636141354.db2.gz MJKCOALRCQDGAF-UHFFFAOYSA-N 1 1 247.241 0.457 20 10 BCCDMO c1cc(CNC[C@@H]2C[NH2+]CCO2)cc2c1OCC2 ZINC000258874795 635218245 /nfs/dbraw/zinc/21/82/45/635218245.db2.gz IHSMPRUJOSDEEG-ZDUSSCGKSA-N 1 1 248.326 0.700 20 10 BCCDMO C[C@@H]1CO[C@@H](CO)C[N@H+]1Cc1ccccc1O ZINC000305749079 636329427 /nfs/dbraw/zinc/32/94/27/636329427.db2.gz WPQCKKGAVYVDIU-ZYHUDNBSSA-N 1 1 237.299 0.974 20 10 BCCDMO C[N@H+]1CC[C@H]1CNC(=O)NCc1ccccc1O ZINC000915517055 641836003 /nfs/dbraw/zinc/83/60/03/641836003.db2.gz FOUPHWSYEMJNER-NSHDSACASA-N 1 1 249.314 0.896 20 10 BCCDMO C[C@@H]1CO[C@H](CO)C[N@H+]1Cc1ccccc1O ZINC000305749077 642687282 /nfs/dbraw/zinc/68/72/82/642687282.db2.gz WPQCKKGAVYVDIU-PWSUYJOCSA-N 1 1 237.299 0.974 20 10 BCCDMO C[C@@H](O)[C@@H](O)C[N@@H+](C)Cc1ccccc1O ZINC000929969931 646382637 /nfs/dbraw/zinc/38/26/37/646382637.db2.gz GEXUPUKDCOKKIJ-SKDRFNHKSA-N 1 1 225.288 0.566 20 10 BCCDMO C[N@H+]1CC[C@H](C(=O)NCc2ccccc2O)C1 ZINC000386349262 711027890 /nfs/dbraw/zinc/02/78/90/711027890.db2.gz UKTVRQBAEQVTCO-NSHDSACASA-N 1 1 234.299 0.960 20 10 BCCDMO COc1ccc(O)c(C[NH2+]Cc2cn(C)nn2)c1 ZINC000389843079 711092590 /nfs/dbraw/zinc/09/25/90/711092590.db2.gz ZGJVVLGOZOXYPX-UHFFFAOYSA-N 1 1 248.286 0.819 20 10 BCCDMO Cc1cccc(C[N@H+]2CC[C@H](NC(N)=O)C2)c1O ZINC000700618211 712002327 /nfs/dbraw/zinc/00/23/27/712002327.db2.gz BZYHCKKBDJLLCA-NSHDSACASA-N 1 1 249.314 0.943 20 10 BCCDMO Cc1cccc(C[N@H+]2CC[C@@H](NC(N)=O)C2)c1O ZINC000700618209 712002358 /nfs/dbraw/zinc/00/23/58/712002358.db2.gz BZYHCKKBDJLLCA-LLVKDONJSA-N 1 1 249.314 0.943 20 10 BCCDMO OCCOCC[NH2+]Cc1cc(F)cc(F)c1O ZINC000708486933 712211031 /nfs/dbraw/zinc/21/10/31/712211031.db2.gz SYNOWJAAKSHGDC-UHFFFAOYSA-N 1 1 247.241 0.769 20 10 BCCDMO Oc1ccc(F)cc1C[N@@H+]1CCOC[C@H](O)C1 ZINC000294662499 183275580 /nfs/dbraw/zinc/27/55/80/183275580.db2.gz AGWZXYIKUYKKOV-LLVKDONJSA-N 1 1 241.262 0.724 20 10 BCCDMO Cc1ccc(O)c(C[N@H+]2C[C@H](O)C[C@H]2CO)c1 ZINC000359975640 387791484 /nfs/dbraw/zinc/79/14/84/387791484.db2.gz RGQHSMHCXLASKB-NWDGAFQWSA-N 1 1 237.299 0.628 20 10 BCCDMO CC[N@@H+]1CCO[C@@H](C(=O)Nc2ccc(N)cc2)C1 ZINC000236899318 387911691 /nfs/dbraw/zinc/91/16/91/387911691.db2.gz XBVWMCHDWLNCJD-GFCCVEGCSA-N 1 1 249.314 0.928 20 10 BCCDMO CC[N@H+]1CCO[C@@H](C(=O)Nc2ccc(N)cc2)C1 ZINC000236899318 387911694 /nfs/dbraw/zinc/91/16/94/387911694.db2.gz XBVWMCHDWLNCJD-GFCCVEGCSA-N 1 1 249.314 0.928 20 10 BCCDMO CNC(=O)N1CC[NH+](Cc2ccccc2O)CC1 ZINC000271361243 173285326 /nfs/dbraw/zinc/28/53/26/173285326.db2.gz NJQKXIRUAVALER-UHFFFAOYSA-N 1 1 249.314 0.849 20 10 BCCDMO COc1cccc(C[N@H+]2C[C@@H]3C[C@]3(O)C2)c1O ZINC000895646601 583698761 /nfs/dbraw/zinc/69/87/61/583698761.db2.gz HMTRTCYLDOLDOA-GWCFXTLKSA-N 1 1 235.283 0.967 20 10 BCCDMO Oc1cc2c(cc1C[N@H+]1C[C@H]3C[C@@]3(O)C1)OCO2 ZINC000895645217 583700835 /nfs/dbraw/zinc/70/08/35/583700835.db2.gz AGHPTORNQLHDNP-NOZJJQNGSA-N 1 1 249.266 0.688 20 10 BCCDMO COc1ccc(O)c(C[N@H+]2C[C@@H]3C[C@]3(O)C2)c1 ZINC000895651905 583703395 /nfs/dbraw/zinc/70/33/95/583703395.db2.gz DFTJMMXXIJXDQA-GWCFXTLKSA-N 1 1 235.283 0.967 20 10 BCCDMO CCOc1ccc(C[N@H+](C)CC(N)=O)c(O)c1 ZINC000768244490 585534634 /nfs/dbraw/zinc/53/46/34/585534634.db2.gz MYULZJKSGLREBK-UHFFFAOYSA-N 1 1 238.287 0.708 20 10 BCCDMO CCOc1ccc(C[N@@H+](C)CC(N)=O)c(O)c1 ZINC000768244490 585534635 /nfs/dbraw/zinc/53/46/35/585534635.db2.gz MYULZJKSGLREBK-UHFFFAOYSA-N 1 1 238.287 0.708 20 10 BCCDMO COc1cccc(O)c1C[N@H+]1CC[C@H](O)C1 ZINC000768410531 585538198 /nfs/dbraw/zinc/53/81/98/585538198.db2.gz YGRSYBYBFUSBDW-VIFPVBQESA-N 1 1 223.272 0.967 20 10 BCCDMO COc1cccc(O)c1C[NH2+]Cc1cn(C)nn1 ZINC000782967862 585826649 /nfs/dbraw/zinc/82/66/49/585826649.db2.gz CKOPQOGJLPAOHX-UHFFFAOYSA-N 1 1 248.286 0.819 20 10 BCCDMO C[C@@H](O)[C@@H]1C[N@@H+](Cc2ccccc2O)CCO1 ZINC000840979919 587933381 /nfs/dbraw/zinc/93/33/81/587933381.db2.gz VOWLEZLGAKJMLP-MFKMUULPSA-N 1 1 237.299 0.974 20 10 BCCDMO C[NH2+]CCCNCc1cc2c(cc1O)OCO2 ZINC000841041433 587938492 /nfs/dbraw/zinc/93/84/92/587938492.db2.gz GCCIJLSJVBUORQ-UHFFFAOYSA-N 1 1 238.287 0.820 20 10 BCCDMO CN(Cc1cc(Cl)ccc1O)C[C@H](O)C[NH3+] ZINC000841093039 587946444 /nfs/dbraw/zinc/94/64/44/587946444.db2.gz PTZCJNANZXZFGE-SNVBAGLBSA-N 1 1 244.722 0.797 20 10 BCCDMO C[C@@H]([NH2+][C@@H]1COC[C@@H]1O)c1ccc(F)cc1O ZINC000866419848 589491844 /nfs/dbraw/zinc/49/18/44/589491844.db2.gz JYDOKAPWCJHNDG-XXFPWJFMSA-N 1 1 241.262 0.942 20 10 BCCDMO Cc1cccc(O)c1C[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000876816463 590245898 /nfs/dbraw/zinc/24/58/98/590245898.db2.gz KIJTUJCSOISXSD-SNVBAGLBSA-N 1 1 249.314 0.943 20 10 BCCDMO Cc1ccc(C[N@H+]2C[C@@H](O)C[C@H]2CO)c(O)c1 ZINC000877420517 590325568 /nfs/dbraw/zinc/32/55/68/590325568.db2.gz WIWFXQBOXDYCSL-RYUDHWBXSA-N 1 1 237.299 0.628 20 10 BCCDMO Cc1cccc(C[N@H+]2CC[C@@H](O)[C@@H](O)C2)c1O ZINC000877749110 590412961 /nfs/dbraw/zinc/41/29/61/590412961.db2.gz FYMKSPWYTVSUIP-NEPJUHHUSA-N 1 1 237.299 0.628 20 10 BCCDMO Oc1ccccc1C[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000877748446 590413690 /nfs/dbraw/zinc/41/36/90/590413690.db2.gz BPZDLUCNBQXRIH-NEPJUHHUSA-N 1 1 223.272 0.320 20 10 BCCDMO C[N@H+](CC(N)=O)Cc1cc2c(cc1O)OCO2 ZINC000132136020 591689228 /nfs/dbraw/zinc/68/92/28/591689228.db2.gz OYBPIOZUVLHLIO-UHFFFAOYSA-N 1 1 238.243 0.038 20 10 BCCDMO C[N@@H+](CC(N)=O)Cc1cc2c(cc1O)OCO2 ZINC000132136020 591689232 /nfs/dbraw/zinc/68/92/32/591689232.db2.gz OYBPIOZUVLHLIO-UHFFFAOYSA-N 1 1 238.243 0.038 20 10 BCCDMO NC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1O ZINC000179558427 632743560 /nfs/dbraw/zinc/74/35/60/632743560.db2.gz WQEIMZRYXXGZBJ-SNVBAGLBSA-N 1 1 220.272 0.842 20 10 BCCDMO c1cc(CNC[C@H]2C[NH2+]CCO2)cc2c1OCC2 ZINC000258874794 635216793 /nfs/dbraw/zinc/21/67/93/635216793.db2.gz IHSMPRUJOSDEEG-CYBMUJFWSA-N 1 1 248.326 0.700 20 10 BCCDMO O=C(NCc1ccccc1O)[C@@H]1CSC[NH2+]1 ZINC000162967759 635269806 /nfs/dbraw/zinc/26/98/06/635269806.db2.gz WEBRZBUFFBQEOH-VIFPVBQESA-N 1 1 238.312 0.671 20 10 BCCDMO OC[C@@H](O)C[NH2+]Cc1cc(F)cc(F)c1O ZINC000708435126 712193445 /nfs/dbraw/zinc/19/34/45/712193445.db2.gz AXOQQWCXLCARMH-QMMMGPOBSA-N 1 1 233.214 0.113 20 10 BCCDMO COC[C@@H](CO)[NH2+]Cc1cc(F)cc(F)c1O ZINC000708484857 712211455 /nfs/dbraw/zinc/21/14/55/712211455.db2.gz JZGGUXJOZCQQMW-SECBINFHSA-N 1 1 247.241 0.767 20 10 BCCDMO COc1ccc(O)c(C[NH2+]Cc2cnn(C)n2)c1 ZINC000389812801 711088741 /nfs/dbraw/zinc/08/87/41/711088741.db2.gz JAJHDXPAVFXKRR-UHFFFAOYSA-N 1 1 248.286 0.819 20 10 BCCDMO COC[C@H](CO)[NH2+]Cc1cc(F)cc(F)c1O ZINC000708484862 712211079 /nfs/dbraw/zinc/21/10/79/712211079.db2.gz JZGGUXJOZCQQMW-VIFPVBQESA-N 1 1 247.241 0.767 20 10 BCCDMO C[C@H](NC[C@@H](O)C[NH+](C)C)c1ccccc1O ZINC000717276469 712642335 /nfs/dbraw/zinc/64/23/35/712642335.db2.gz FXCAFRMHTHOCNF-WDEREUQCSA-N 1 1 238.331 0.965 20 10 BCCDMO NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC000183293783 181270777 /nfs/dbraw/zinc/27/07/77/181270777.db2.gz WFWJKAIVAOGUBP-SNVBAGLBSA-N 1 1 220.272 0.699 20 10 BCCDMO COC[C@H](O)C[N@@H+](C)Cc1ccccc1O ZINC000127935425 384969561 /nfs/dbraw/zinc/96/95/61/384969561.db2.gz MVXBYZQJUSBSQW-LLVKDONJSA-N 1 1 225.288 0.831 20 10 BCCDMO CC[N@@H+](CC(N)=O)Cc1cc(OC)ccc1O ZINC000188466061 385056239 /nfs/dbraw/zinc/05/62/39/385056239.db2.gz LNDDDEOUFYZRON-UHFFFAOYSA-N 1 1 238.287 0.708 20 10 BCCDMO Cc1ccc(O)c(C[N@H+]2CC[C@@H](NC(N)=O)C2)c1 ZINC000271233791 385807920 /nfs/dbraw/zinc/80/79/20/385807920.db2.gz AJYWWPGTFHWFJD-LLVKDONJSA-N 1 1 249.314 0.943 20 10 BCCDMO C[C@H](CO)[N@@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000289498092 386317280 /nfs/dbraw/zinc/31/72/80/386317280.db2.gz SOHCMKHHCKUILH-MRVPVSSYSA-N 1 1 239.271 0.934 20 10 BCCDMO C[N@@H+](Cc1cc(F)ccc1O)[C@@H]1COC[C@H]1O ZINC000289614973 386334308 /nfs/dbraw/zinc/33/43/08/386334308.db2.gz LJZDNRGNHFWQGK-ZYHUDNBSSA-N 1 1 241.262 0.723 20 10 BCCDMO Cc1ccc(O)c(C[N@H+]2C[C@H](O)C[C@@H]2CO)c1 ZINC000359975641 387791429 /nfs/dbraw/zinc/79/14/29/387791429.db2.gz RGQHSMHCXLASKB-VXGBXAGGSA-N 1 1 237.299 0.628 20 10 BCCDMO Cn1ncc(C[NH2+]Cc2ccccc2O)n1 ZINC000290207753 388874213 /nfs/dbraw/zinc/87/42/13/388874213.db2.gz VNQSETWCYXBZHG-UHFFFAOYSA-N 1 1 218.260 0.811 20 10 BCCDMO CNC(=O)CC[N@@H+](C)Cc1ccccc1O ZINC000111235081 173250357 /nfs/dbraw/zinc/25/03/57/173250357.db2.gz RSIBYAUXRXZZNB-UHFFFAOYSA-N 1 1 222.288 0.960 20 10 BCCDMO OC[C@@H]1CC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000902629593 584646157 /nfs/dbraw/zinc/64/61/57/584646157.db2.gz VVWQMBSMEVJVOM-VIFPVBQESA-N 1 1 237.255 0.688 20 10 BCCDMO C[NH+](C)C1CN(C(=O)C2=CC(=O)CS2)C1 ZINC000765390420 585485234 /nfs/dbraw/zinc/48/52/34/585485234.db2.gz NTQPSPXSGNXCAO-UHFFFAOYSA-N 1 1 226.301 0.840 20 10 BCCDMO COC(=O)C[C@H]([NH3+])C(=O)Nc1ccc(N)cc1 ZINC000832250438 587651978 /nfs/dbraw/zinc/65/19/78/587651978.db2.gz RJFXDCPCACQTLB-VIFPVBQESA-N 1 1 237.259 0.098 20 10 BCCDMO C[C@@H](CN)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000841063578 587941158 /nfs/dbraw/zinc/94/11/58/587941158.db2.gz NTLMTFZCHGNHDR-ZETCQYMHSA-N 1 1 224.260 0.558 20 10 BCCDMO [NH3+]CC(F)(F)CC(=O)NCc1ccccc1O ZINC000846677721 588282235 /nfs/dbraw/zinc/28/22/35/588282235.db2.gz RQOLYTCDTHXLHC-UHFFFAOYSA-N 1 1 244.241 0.993 20 10 BCCDMO C[N@@H+](Cc1ccccc1O)[C@@]1(CO)CCOC1 ZINC000862426277 589212513 /nfs/dbraw/zinc/21/25/13/589212513.db2.gz CMLMANSWYIRPKE-CYBMUJFWSA-N 1 1 237.299 0.975 20 10 BCCDMO Cc1ccc(C[N@H+]2CCN(C)C(=O)C2)c(O)c1 ZINC000876744665 590236284 /nfs/dbraw/zinc/23/62/84/590236284.db2.gz VNVWLDFYYTWYIC-UHFFFAOYSA-N 1 1 234.299 0.975 20 10 BCCDMO Cc1ccc(C[N@@H+]2CCN(C)C(=O)C2)c(O)c1 ZINC000876744665 590236286 /nfs/dbraw/zinc/23/62/86/590236286.db2.gz VNVWLDFYYTWYIC-UHFFFAOYSA-N 1 1 234.299 0.975 20 10 BCCDMO Oc1ccc(F)cc1C[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000877749785 590414970 /nfs/dbraw/zinc/41/49/70/590414970.db2.gz VPSNMNIMPCRGEX-NEPJUHHUSA-N 1 1 241.262 0.459 20 10 BCCDMO COc1cccc(O)c1C[N@@H+](C)CCO ZINC000768138527 643457380 /nfs/dbraw/zinc/45/73/80/643457380.db2.gz YEQWFUZEHAISND-UHFFFAOYSA-N 1 1 211.261 0.825 20 10 BCCDMO COC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1O ZINC000846048152 645393858 /nfs/dbraw/zinc/39/38/58/645393858.db2.gz WXQACXVQPYYAHD-NWDGAFQWSA-N 1 1 237.299 0.974 20 10 BCCDMO C[C@@H](O)[C@H](O)C[NH2+]Cc1cc(F)cc(F)c1O ZINC000708435471 712193834 /nfs/dbraw/zinc/19/38/34/712193834.db2.gz CSEQBOSXLXYCKB-LHLIQPBNSA-N 1 1 247.241 0.502 20 10 BCCDMO COc1ccc(O)c(C[NH2+]Cc2ncnn2C)c1 ZINC000389318729 711075449 /nfs/dbraw/zinc/07/54/49/711075449.db2.gz CENLSGQEGVDOLE-UHFFFAOYSA-N 1 1 248.286 0.819 20 10 BCCDMO Oc1cc2c(cc1C[NH2+]Cc1cnn[nH]1)OCO2 ZINC000398343608 711408320 /nfs/dbraw/zinc/40/83/20/711408320.db2.gz OAPVAZRXPIFBQU-UHFFFAOYSA-N 1 1 248.242 0.529 20 10 BCCDMO Oc1c(F)cc(F)cc1C[NH2+][C@H]1COC[C@H]1O ZINC000708517805 712211905 /nfs/dbraw/zinc/21/19/05/712211905.db2.gz UHRQCHARDKMBBL-VHSXEESVSA-N 1 1 245.225 0.520 20 10 BCCDMO NC(=O)[C@@H]1CC[N@H+](Cc2cccc(F)c2O)C1 ZINC000226561447 181270420 /nfs/dbraw/zinc/27/04/20/181270420.db2.gz ZLYCBVOYYGNRLP-SECBINFHSA-N 1 1 238.262 0.839 20 10 BCCDMO NC(=O)[C@@H]1CC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000226561447 181270421 /nfs/dbraw/zinc/27/04/21/181270421.db2.gz ZLYCBVOYYGNRLP-SECBINFHSA-N 1 1 238.262 0.839 20 10 BCCDMO OC[C@@H]1C[C@@H](O)C[N@H+]1Cc1cc(F)ccc1O ZINC000370384163 183129202 /nfs/dbraw/zinc/12/92/02/183129202.db2.gz CKTSXLKYPCJSMF-WDEREUQCSA-N 1 1 241.262 0.459 20 10 BCCDMO CC[N@@H+](C)CCNC(=O)Cc1ccc(N)cc1 ZINC000054109991 384821170 /nfs/dbraw/zinc/82/11/70/384821170.db2.gz VSSCCINPTGNVIT-UHFFFAOYSA-N 1 1 235.331 0.879 20 10 BCCDMO C[C@H](C(N)=O)[N@@H+](C)Cc1ccccc1O ZINC000109770252 385190999 /nfs/dbraw/zinc/19/09/99/385190999.db2.gz XYAZDZFBSDIBHT-MRVPVSSYSA-N 1 1 208.261 0.698 20 10 BCCDMO COc1c(O)c(C[NH2+]CCO)ccc1[N+](=O)[O-] ZINC000278464823 386529611 /nfs/dbraw/zinc/52/96/11/386529611.db2.gz FWJHSNZNMXKVMC-UHFFFAOYSA-N 1 1 242.231 0.391 20 10 BCCDMO O=C1NC[C@@H]2C[N@@H+](Cc3ccccc3O)CC[C@H]12 ZINC000367940004 386920730 /nfs/dbraw/zinc/92/07/30/386920730.db2.gz BIYGSUGMJMJKDB-NEPJUHHUSA-N 1 1 246.310 0.960 20 10 BCCDMO C[N@@H+](CCC(N)=O)Cc1ccccc1O ZINC000264677043 388992350 /nfs/dbraw/zinc/99/23/50/388992350.db2.gz BAVALYVTANTMHT-UHFFFAOYSA-N 1 1 208.261 0.699 20 10 BCCDMO Oc1ccc(F)cc1C[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000779031708 585744195 /nfs/dbraw/zinc/74/41/95/585744195.db2.gz GCPSAZBMPNRRHD-PHIMTYICSA-N 1 1 241.262 0.459 20 10 BCCDMO C[C@@H](O)[C@H]1C[N@@H+](Cc2ccccc2O)CCO1 ZINC000840979920 587932895 /nfs/dbraw/zinc/93/28/95/587932895.db2.gz VOWLEZLGAKJMLP-ZWNOBZJWSA-N 1 1 237.299 0.974 20 10 BCCDMO Cc1ccc(C[N@@H+]2CCO[C@H](CO)C2)c(O)c1 ZINC000876724583 590233488 /nfs/dbraw/zinc/23/34/88/590233488.db2.gz BSNPVSRWDCWBNN-LBPRGKRZSA-N 1 1 237.299 0.894 20 10 BCCDMO Cc1ccc(C[N@H+]2CCO[C@H](CO)C2)c(O)c1 ZINC000876724583 590233489 /nfs/dbraw/zinc/23/34/89/590233489.db2.gz BSNPVSRWDCWBNN-LBPRGKRZSA-N 1 1 237.299 0.894 20 10 BCCDMO CN1CC[N@@H+](Cc2ccccc2O)[C@@H](CO)C1 ZINC000877643151 590383247 /nfs/dbraw/zinc/38/32/47/590383247.db2.gz AXUYKQPXHDAXDV-GFCCVEGCSA-N 1 1 236.315 0.501 20 10 BCCDMO Cn1nnnc1CC[N@@H+](C)Cc1ccccc1O ZINC000878242943 590528010 /nfs/dbraw/zinc/52/80/10/590528010.db2.gz XOMNMHROHKBOOU-UHFFFAOYSA-N 1 1 247.302 0.590 20 10 BCCDMO C[C@H]([NH2+][C@@H]1COC[C@H]1O)c1c(O)cccc1F ZINC000886620525 592278338 /nfs/dbraw/zinc/27/83/38/592278338.db2.gz MHAHLQOVPFYUFW-JVUFJMBOSA-N 1 1 241.262 0.942 20 10 BCCDMO C[C@@H]([NH2+][C@@H]1COC[C@@H]1O)c1c(O)cccc1F ZINC000886644852 592287983 /nfs/dbraw/zinc/28/79/83/592287983.db2.gz MHAHLQOVPFYUFW-ZOFUNIGCSA-N 1 1 241.262 0.942 20 10 BCCDMO CNC(=O)C[N@H+](C)Cc1cc(F)ccc1O ZINC000234356104 631457023 /nfs/dbraw/zinc/45/70/23/631457023.db2.gz OHYFOCHMEFXDOJ-UHFFFAOYSA-N 1 1 226.251 0.709 20 10 BCCDMO CNC(=O)C[N@@H+](C)Cc1cc(F)ccc1O ZINC000234356104 631457026 /nfs/dbraw/zinc/45/70/26/631457026.db2.gz OHYFOCHMEFXDOJ-UHFFFAOYSA-N 1 1 226.251 0.709 20 10 BCCDMO C[C@H](CC(N)=O)[NH2+]Cc1cccc(F)c1O ZINC000163178580 636135896 /nfs/dbraw/zinc/13/58/96/636135896.db2.gz COWXIEDQGLEERB-SSDOTTSWSA-N 1 1 226.251 0.885 20 10 BCCDMO Cn1ncc(C[NH2+]Cc2cc(F)ccc2O)n1 ZINC000389836059 711090566 /nfs/dbraw/zinc/09/05/66/711090566.db2.gz OWKXOJCAAVOOIF-UHFFFAOYSA-N 1 1 236.250 0.950 20 10 BCCDMO COc1cccc(C[NH2+]Cc2cn(C)nn2)c1O ZINC000389823933 711091101 /nfs/dbraw/zinc/09/11/01/711091101.db2.gz NKBNUKWFZDFYBP-UHFFFAOYSA-N 1 1 248.286 0.819 20 10 BCCDMO C[C@H](NC[C@H](O)C[NH+](C)C)c1ccccc1O ZINC000717276467 712642192 /nfs/dbraw/zinc/64/21/92/712642192.db2.gz FXCAFRMHTHOCNF-QWRGUYRKSA-N 1 1 238.331 0.965 20 10 BCCDMO C[C@H]([NH2+]Cc1nnnn1C)c1ccccc1O ZINC000389337423 712689106 /nfs/dbraw/zinc/68/91/06/712689106.db2.gz YSXKWXNZNBMJPB-QMMMGPOBSA-N 1 1 233.275 0.767 20 10 BCCDMO OC[C@H]1C[C@@H](O)C[N@@H+]1Cc1cccc(F)c1O ZINC000370398027 187222767 /nfs/dbraw/zinc/22/27/67/187222767.db2.gz GEVAAXUOAVHBNQ-NXEZZACHSA-N 1 1 241.262 0.459 20 10 BCCDMO OC[C@H]1C[C@@H](O)C[N@H+]1Cc1cccc(F)c1O ZINC000370398027 187222769 /nfs/dbraw/zinc/22/27/69/187222769.db2.gz GEVAAXUOAVHBNQ-NXEZZACHSA-N 1 1 241.262 0.459 20 10 BCCDMO OC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1O ZINC000359973384 188258616 /nfs/dbraw/zinc/25/86/16/188258616.db2.gz KYEWFXUMHLTRNQ-GHMZBOCLSA-N 1 1 223.272 0.320 20 10 BCCDMO NC(=O)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000183293384 181270883 /nfs/dbraw/zinc/27/08/83/181270883.db2.gz DYIHZHZKVQEWPC-MRVPVSSYSA-N 1 1 238.262 0.839 20 10 BCCDMO OC[C@H]1C[C@H](O)C[N@H+]1Cc1cc(F)ccc1O ZINC000370384162 183156118 /nfs/dbraw/zinc/15/61/18/183156118.db2.gz CKTSXLKYPCJSMF-MNOVXSKESA-N 1 1 241.262 0.459 20 10 BCCDMO Oc1ccc(F)cc1C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000278329640 183275619 /nfs/dbraw/zinc/27/56/19/183275619.db2.gz HAXZYUNRSVUSTN-PHIMTYICSA-N 1 1 227.235 0.069 20 10 BCCDMO Oc1ccccc1C[N@H+]1CCN2CCOC[C@H]2C1 ZINC000363891257 183301856 /nfs/dbraw/zinc/30/18/56/183301856.db2.gz TUCGKKQTKQUOKS-CYBMUJFWSA-N 1 1 248.326 0.909 20 10 BCCDMO Cc1ccc(O)c(C[N@H+]2CCN(C)C(=O)C2)c1 ZINC000127394200 384895100 /nfs/dbraw/zinc/89/51/00/384895100.db2.gz KOBNKIYTKLYDBA-UHFFFAOYSA-N 1 1 234.299 0.975 20 10 BCCDMO Cc1ccc(O)c(C[N@@H+]2CCN(C)C(=O)C2)c1 ZINC000127394200 384895106 /nfs/dbraw/zinc/89/51/06/384895106.db2.gz KOBNKIYTKLYDBA-UHFFFAOYSA-N 1 1 234.299 0.975 20 10 BCCDMO C[N@@H+](CC(=O)NC(N)=O)Cc1ccccc1O ZINC000109772571 385190872 /nfs/dbraw/zinc/19/08/72/385190872.db2.gz BUSPXMDUKRINRU-UHFFFAOYSA-N 1 1 237.259 0.019 20 10 BCCDMO CCOc1ccc(O)c(C[N@H+](C)CC(N)=O)c1 ZINC000271030505 385772572 /nfs/dbraw/zinc/77/25/72/385772572.db2.gz CJFQUGATVSNIJJ-UHFFFAOYSA-N 1 1 238.287 0.708 20 10 BCCDMO CCOc1ccc(O)c(C[N@@H+](C)CC(N)=O)c1 ZINC000271030505 385772575 /nfs/dbraw/zinc/77/25/75/385772575.db2.gz CJFQUGATVSNIJJ-UHFFFAOYSA-N 1 1 238.287 0.708 20 10 BCCDMO COc1ccc(O)c(C[N@@H+](C)CCO)c1 ZINC000163118495 175157427 /nfs/dbraw/zinc/15/74/27/175157427.db2.gz UZRVTXFOCVVNMN-UHFFFAOYSA-N 1 1 211.261 0.825 20 10 BCCDMO COc1cccc(C[N@@H+](C)CCC(N)=O)c1O ZINC000289588973 175255728 /nfs/dbraw/zinc/25/57/28/175255728.db2.gz KHNDFGNNWBJYEM-UHFFFAOYSA-N 1 1 238.287 0.708 20 10 BCCDMO OC[C@]1(O)CCC[N@@H+](Cc2ccccc2O)C1 ZINC000839161025 585098208 /nfs/dbraw/zinc/09/82/08/585098208.db2.gz YYNXJSPEBKHAHW-ZDUSSCGKSA-N 1 1 237.299 0.711 20 10 BCCDMO CO[C@@H]1C[N@@H+](Cc2cc(F)ccc2O)C[C@H]1O ZINC000825017909 587299141 /nfs/dbraw/zinc/29/91/41/587299141.db2.gz ZTPXHNXGDWSZRV-VXGBXAGGSA-N 1 1 241.262 0.723 20 10 BCCDMO CO[C@@H]1C[N@@H+](Cc2cccc(C)c2O)C[C@H]1O ZINC000825017392 587299347 /nfs/dbraw/zinc/29/93/47/587299347.db2.gz QDBCVTSJZHIAFF-VXGBXAGGSA-N 1 1 237.299 0.892 20 10 BCCDMO Cc1cc(N(C)C)ccc1C[N@@H+](C)CC(N)=O ZINC000840911051 587929373 /nfs/dbraw/zinc/92/93/73/587929373.db2.gz VLBYKIOSUANALT-UHFFFAOYSA-N 1 1 235.331 0.978 20 10 BCCDMO C[C@H](O)[C@@H]1C[N@@H+](Cc2ccccc2O)CCO1 ZINC000840979916 587932908 /nfs/dbraw/zinc/93/29/08/587932908.db2.gz VOWLEZLGAKJMLP-GWCFXTLKSA-N 1 1 237.299 0.974 20 10 BCCDMO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](O)C1)OCO2 ZINC000126339025 590283054 /nfs/dbraw/zinc/28/30/54/590283054.db2.gz OWJLCKYLCAYSTQ-SECBINFHSA-N 1 1 237.255 0.688 20 10 BCCDMO Cc1ccc(C[N@H+]2CCOC[C@H](O)C2)c(O)c1 ZINC000877560655 590360160 /nfs/dbraw/zinc/36/01/60/590360160.db2.gz XKRDFJFWEMVOFO-GFCCVEGCSA-N 1 1 237.299 0.894 20 10 BCCDMO CO[C@@H]1C[N@@H+](Cc2c(C)cccc2O)C[C@H]1O ZINC000877570743 590362425 /nfs/dbraw/zinc/36/24/25/590362425.db2.gz RLMMJHJZBXBWKA-CHWSQXEVSA-N 1 1 237.299 0.892 20 10 BCCDMO COc1ccc(O)c(C[NH+]2CC(C)(O)C2)c1 ZINC000877580477 590365076 /nfs/dbraw/zinc/36/50/76/590365076.db2.gz DNEQKCUZFVQTJX-UHFFFAOYSA-N 1 1 223.272 0.967 20 10 BCCDMO COc1ccc(O)c(C[N@H+](C)CC(N)=O)c1 ZINC000132598975 591722556 /nfs/dbraw/zinc/72/25/56/591722556.db2.gz IXCQCSRXKAGWPT-UHFFFAOYSA-N 1 1 224.260 0.318 20 10 BCCDMO COc1ccc(O)c(C[N@@H+](C)CC(N)=O)c1 ZINC000132598975 591722558 /nfs/dbraw/zinc/72/25/58/591722558.db2.gz IXCQCSRXKAGWPT-UHFFFAOYSA-N 1 1 224.260 0.318 20 10 BCCDMO C[C@H]([NH2+][C@@H]1COC[C@@H]1O)c1ccc(F)cc1O ZINC000323396364 636927315 /nfs/dbraw/zinc/92/73/15/636927315.db2.gz JYDOKAPWCJHNDG-KOLSJAJHSA-N 1 1 241.262 0.942 20 10 BCCDMO COc1cccc(O)c1CNC1CC([NH3+])C1 ZINC000906509272 638181492 /nfs/dbraw/zinc/18/14/92/638181492.db2.gz DZGKCNSMCVNVKQ-UHFFFAOYSA-N 1 1 222.288 0.980 20 10 BCCDMO CNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC000398531147 711411794 /nfs/dbraw/zinc/41/17/94/711411794.db2.gz XOONWQQAGBVGPA-NSHDSACASA-N 1 1 234.299 0.960 20 10 BCCDMO C[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)C(N)=O ZINC000708393942 712191987 /nfs/dbraw/zinc/19/19/87/712191987.db2.gz MIVSYSDOAIJITF-RXMQYKEDSA-N 1 1 230.214 0.634 20 10 BCCDMO CCNC(=O)C[NH2+]Cc1cc(F)cc(F)c1O ZINC000708482193 712194946 /nfs/dbraw/zinc/19/49/46/712194946.db2.gz WWZVIEQUFQTWEA-UHFFFAOYSA-N 1 1 244.241 0.896 20 10 BCCDMO Cc1cccc(C[N@H+]2C[C@H](O)C[C@@H]2CO)c1O ZINC000359973371 179083724 /nfs/dbraw/zinc/08/37/24/179083724.db2.gz KTTRTRYTIRGQTG-VXGBXAGGSA-N 1 1 237.299 0.628 20 10 BCCDMO OC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1O ZINC000187665501 183128763 /nfs/dbraw/zinc/12/87/63/183128763.db2.gz KYEWFXUMHLTRNQ-QWRGUYRKSA-N 1 1 223.272 0.320 20 10 BCCDMO Cc1ccc(O)c(C[N@@H+](CCO)CCCO)c1 ZINC000093324120 384228830 /nfs/dbraw/zinc/22/88/30/384228830.db2.gz ITJWGNDKRLJJQJ-UHFFFAOYSA-N 1 1 239.315 0.877 20 10 BCCDMO CN(C)C(=O)C[N@@H+](C)Cc1ccccc1O ZINC000096477918 384462540 /nfs/dbraw/zinc/46/25/40/384462540.db2.gz KDXVAERPLLQDTE-UHFFFAOYSA-N 1 1 222.288 0.912 20 10 BCCDMO COC[C@H](O)C[NH2+]Cc1cccc(F)c1O ZINC000165165792 385078654 /nfs/dbraw/zinc/07/86/54/385078654.db2.gz ZXRZHWQZHSOMHQ-SECBINFHSA-N 1 1 229.251 0.628 20 10 BCCDMO Cc1ccc(O)c(C[N@H+]2CC[C@H](NC(N)=O)C2)c1 ZINC000271233794 385809506 /nfs/dbraw/zinc/80/95/06/385809506.db2.gz AJYWWPGTFHWFJD-NSHDSACASA-N 1 1 249.314 0.943 20 10 BCCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCO)c1 ZINC000273365961 385993177 /nfs/dbraw/zinc/99/31/77/385993177.db2.gz FCGWWPPKLZWHQV-MRVPVSSYSA-N 1 1 239.271 0.822 20 10 BCCDMO Cc1ccc(O)c(C[N@H+](C)[C@@H]2COC[C@H]2O)c1 ZINC000289916994 386371578 /nfs/dbraw/zinc/37/15/78/386371578.db2.gz XKQWQQPQVFESIT-DGCLKSJQSA-N 1 1 237.299 0.892 20 10 BCCDMO Oc1c(F)cccc1C[NH2+]C[C@H]1COCCN1 ZINC000530182721 323205803 /nfs/dbraw/zinc/20/58/03/323205803.db2.gz YMMCNQJWXQQZDR-JTQLQIEISA-N 1 1 240.278 0.609 20 10 BCCDMO CN1CCO[C@H]2C[N@@H+](Cc3ccccc3O)C[C@@H]21 ZINC000770506125 584979514 /nfs/dbraw/zinc/97/95/14/584979514.db2.gz TZZGMBRVMNFDTM-JSGCOSHPSA-N 1 1 248.326 0.907 20 10 BCCDMO C[C@@H]([NH2+]CC[NH3+])c1cc([N+](=O)[O-])ccc1[O-] ZINC000817935412 586842566 /nfs/dbraw/zinc/84/25/66/586842566.db2.gz VIMCDVFQXLKPKK-SSDOTTSWSA-N 1 1 225.248 0.910 20 10 BCCDMO COCC[NH2+]CCNCc1ccccc1O ZINC000841049023 587939965 /nfs/dbraw/zinc/93/99/65/587939965.db2.gz XGRQGWVTIPPMJY-UHFFFAOYSA-N 1 1 224.304 0.718 20 10 BCCDMO Cc1cccc(O)c1C[N@H+]1CCO[C@@H](CO)C1 ZINC000876725742 590233350 /nfs/dbraw/zinc/23/33/50/590233350.db2.gz WPNRSTBVGQFELJ-LLVKDONJSA-N 1 1 237.299 0.894 20 10 BCCDMO Cc1ccc(C[N@H+]2CC[C@H](NC(N)=O)C2)c(O)c1 ZINC000876817065 590246083 /nfs/dbraw/zinc/24/60/83/590246083.db2.gz WUEXLUSPLCVTRR-NSHDSACASA-N 1 1 249.314 0.943 20 10 BCCDMO C[N@@H+](CCn1cnnn1)Cc1ccccc1O ZINC000878243090 590527889 /nfs/dbraw/zinc/52/78/89/590527889.db2.gz ZMAOMCTYKSOIEI-UHFFFAOYSA-N 1 1 233.275 0.511 20 10 BCCDMO CNC(=O)C[N@H+](C)Cc1cccc(OC)c1O ZINC000132114472 591687342 /nfs/dbraw/zinc/68/73/42/591687342.db2.gz BGTGVDYLBYJBQI-UHFFFAOYSA-N 1 1 238.287 0.579 20 10 BCCDMO CNC(=O)C[N@@H+](C)Cc1cccc(OC)c1O ZINC000132114472 591687344 /nfs/dbraw/zinc/68/73/44/591687344.db2.gz BGTGVDYLBYJBQI-UHFFFAOYSA-N 1 1 238.287 0.579 20 10 BCCDMO C[C@H]([NH2+][C@@H]1COC[C@@H]1O)c1c(O)cccc1F ZINC000886644851 592288021 /nfs/dbraw/zinc/28/80/21/592288021.db2.gz MHAHLQOVPFYUFW-NMLBEHRDSA-N 1 1 241.262 0.942 20 10 BCCDMO CC(=O)NCC[N@H+](C)Cc1ccccc1O ZINC000308307200 631280791 /nfs/dbraw/zinc/28/07/91/631280791.db2.gz PASIJHCZPMVQTL-UHFFFAOYSA-N 1 1 222.288 0.960 20 10 BCCDMO COc1ccc(C[N@@H+](C)CCO)c(O)c1OC ZINC000891445685 631319330 /nfs/dbraw/zinc/31/93/30/631319330.db2.gz SBFRVUAILNBJOO-UHFFFAOYSA-N 1 1 241.287 0.834 20 10 BCCDMO CNC(=O)C[N@@H+](C)Cc1cccc(C)c1O ZINC000165413669 640576088 /nfs/dbraw/zinc/57/60/88/640576088.db2.gz PAJOBAORQBTMPV-UHFFFAOYSA-N 1 1 222.288 0.878 20 10 BCCDMO C[C@H](O)[C@H](O)C[NH2+]Cc1cc(F)cc(F)c1O ZINC000708435472 712193258 /nfs/dbraw/zinc/19/32/58/712193258.db2.gz CSEQBOSXLXYCKB-QUBYGPBYSA-N 1 1 247.241 0.502 20 10 BCCDMO OCC(CO)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000381499371 710647964 /nfs/dbraw/zinc/64/79/64/710647964.db2.gz OCASTIZLQBTRIB-UHFFFAOYSA-N 1 1 249.669 0.628 20 10 BCCDMO Oc1c(F)cc(F)cc1C[NH2+][C@@H]1COC[C@H]1O ZINC000708517803 712211949 /nfs/dbraw/zinc/21/19/49/712211949.db2.gz UHRQCHARDKMBBL-NXEZZACHSA-N 1 1 245.225 0.520 20 10 BCCDMO CN(C)c1ccc(C[N@H+](C)CC(N)=O)cc1 ZINC000007248304 350228075 /nfs/dbraw/zinc/22/80/75/350228075.db2.gz QVDZAHYWZZZLOA-UHFFFAOYSA-N 1 1 221.304 0.670 20 10 BCCDMO CN(C)c1ccc(C[N@@H+](C)CC(N)=O)cc1 ZINC000007248304 350228076 /nfs/dbraw/zinc/22/80/76/350228076.db2.gz QVDZAHYWZZZLOA-UHFFFAOYSA-N 1 1 221.304 0.670 20 10 BCCDMO NC(=O)[C@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000183293368 181282055 /nfs/dbraw/zinc/28/20/55/181282055.db2.gz DYIHZHZKVQEWPC-QMMMGPOBSA-N 1 1 238.262 0.839 20 10 BCCDMO OC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1O ZINC000359973385 183156883 /nfs/dbraw/zinc/15/68/83/183156883.db2.gz KYEWFXUMHLTRNQ-MNOVXSKESA-N 1 1 223.272 0.320 20 10 BCCDMO C[N@@H+](CCOCCO)Cc1ccccc1O ZINC000133023243 384268806 /nfs/dbraw/zinc/26/88/06/384268806.db2.gz STZGGYUGPWENLG-UHFFFAOYSA-N 1 1 225.288 0.833 20 10 BCCDMO C[C@@H](C(N)=O)[N@@H+](C)Cc1ccccc1O ZINC000109770249 385189374 /nfs/dbraw/zinc/18/93/74/385189374.db2.gz XYAZDZFBSDIBHT-QMMMGPOBSA-N 1 1 208.261 0.698 20 10 BCCDMO O=C1NC[C@@H]2C[N@@H+](Cc3ccccc3O)CCN12 ZINC000156063345 385433342 /nfs/dbraw/zinc/43/33/42/385433342.db2.gz MCMGGQMHTVHDBY-LLVKDONJSA-N 1 1 247.298 0.602 20 10 BCCDMO CC[N@@H+]1CCO[C@H](C(=O)Nc2ccc(N)cc2)C1 ZINC000236900747 387914391 /nfs/dbraw/zinc/91/43/91/387914391.db2.gz XBVWMCHDWLNCJD-LBPRGKRZSA-N 1 1 249.314 0.928 20 10 BCCDMO CC[N@H+]1CCO[C@H](C(=O)Nc2ccc(N)cc2)C1 ZINC000236900747 387914394 /nfs/dbraw/zinc/91/43/94/387914394.db2.gz XBVWMCHDWLNCJD-LBPRGKRZSA-N 1 1 249.314 0.928 20 10 BCCDMO C[N@@H+](Cc1ccccc1O)[C@H]1CCNC1=O ZINC000178304167 397845460 /nfs/dbraw/zinc/84/54/60/397845460.db2.gz SEGBRVYAPIWJFZ-JTQLQIEISA-N 1 1 220.272 0.713 20 10 BCCDMO CCNC(=O)C[N@@H+](C)Cc1ccccc1O ZINC000121145893 170055360 /nfs/dbraw/zinc/05/53/60/170055360.db2.gz ZOUMNBFYKROMEJ-UHFFFAOYSA-N 1 1 222.288 0.960 20 10 BCCDMO COCC1(O)C[NH+](Cc2cccc(C)c2O)C1 ZINC000297514200 174113679 /nfs/dbraw/zinc/11/36/79/174113679.db2.gz MNPBVCBWBCILNV-UHFFFAOYSA-N 1 1 237.299 0.894 20 10 BCCDMO COc1cccc(C[N@H+]2C[C@H]3C[C@@]3(O)C2)c1O ZINC000895646607 583698885 /nfs/dbraw/zinc/69/88/85/583698885.db2.gz HMTRTCYLDOLDOA-ZWNOBZJWSA-N 1 1 235.283 0.967 20 10 BCCDMO CN1CCO[C@H]2C[N@@H+](Cc3ccccc3O)C[C@H]21 ZINC000770506126 584979232 /nfs/dbraw/zinc/97/92/32/584979232.db2.gz TZZGMBRVMNFDTM-OCCSQVGLSA-N 1 1 248.326 0.907 20 10 BCCDMO OC[C@@]1(O)CCC[N@@H+](Cc2ccccc2O)C1 ZINC000839161024 585098251 /nfs/dbraw/zinc/09/82/51/585098251.db2.gz YYNXJSPEBKHAHW-CYBMUJFWSA-N 1 1 237.299 0.711 20 10 BCCDMO O=C1C[N@@H+](Cc2ccccc2O)CCCN1 ZINC000779001993 585743677 /nfs/dbraw/zinc/74/36/77/585743677.db2.gz HGARQFXVTIMVCB-UHFFFAOYSA-N 1 1 220.272 0.714 20 10 BCCDMO Oc1ccccc1CNC[C@@H]1C[NH2+]CCCO1 ZINC000841085666 587946055 /nfs/dbraw/zinc/94/60/55/587946055.db2.gz JOIWJTCGTKQTRF-LBPRGKRZSA-N 1 1 236.315 0.860 20 10 BCCDMO Cc1cc(O)c(CN(C)C[C@H](O)C[NH3+])cc1C ZINC000841091662 587946190 /nfs/dbraw/zinc/94/61/90/587946190.db2.gz CNLBYRZHBGDJRU-GFCCVEGCSA-N 1 1 238.331 0.760 20 10 BCCDMO C[N@H+](Cc1cccc(Cl)c1[O-])C[C@H](O)C[NH3+] ZINC000841094562 587946399 /nfs/dbraw/zinc/94/63/99/587946399.db2.gz YUHCNUUYOXDXJZ-SECBINFHSA-N 1 1 244.722 0.797 20 10 BCCDMO CN(C)c1ccc(CN(C)C[C@@H](O)C[NH3+])cc1 ZINC000841094616 587946667 /nfs/dbraw/zinc/94/66/67/587946667.db2.gz ZIAWHSJRBIRYMK-ZDUSSCGKSA-N 1 1 237.347 0.504 20 10 BCCDMO CN(C)c1ccc(CN(C)C[C@H](O)C[NH3+])cc1 ZINC000841094615 587946685 /nfs/dbraw/zinc/94/66/85/587946685.db2.gz ZIAWHSJRBIRYMK-CYBMUJFWSA-N 1 1 237.347 0.504 20 10 BCCDMO C[NH2+]C[C@@](C)(O)CN(C)Cc1ccccc1O ZINC000846217826 588260650 /nfs/dbraw/zinc/26/06/50/588260650.db2.gz DGFVLTCBMMZBDL-CYBMUJFWSA-N 1 1 238.331 0.794 20 10 BCCDMO Cc1ccc(C[N@@H+](CCO)CCCO)c(O)c1 ZINC000876724043 590233713 /nfs/dbraw/zinc/23/37/13/590233713.db2.gz MBGSGBZAORKVQC-UHFFFAOYSA-N 1 1 239.315 0.877 20 10 BCCDMO Cc1cccc(O)c1C[N@H+]1CCN(C)C(=O)C1 ZINC000876744082 590235843 /nfs/dbraw/zinc/23/58/43/590235843.db2.gz NSDGZPXPRZNYFD-UHFFFAOYSA-N 1 1 234.299 0.975 20 10 BCCDMO Cc1cccc(O)c1C[N@@H+]1CCN(C)C(=O)C1 ZINC000876744082 590235844 /nfs/dbraw/zinc/23/58/44/590235844.db2.gz NSDGZPXPRZNYFD-UHFFFAOYSA-N 1 1 234.299 0.975 20 10 BCCDMO Cc1ccc(C[N@H+]2CCOC[C@@H](O)C2)c(O)c1 ZINC000877560656 590360134 /nfs/dbraw/zinc/36/01/34/590360134.db2.gz XKRDFJFWEMVOFO-LBPRGKRZSA-N 1 1 237.299 0.894 20 10 BCCDMO C[C@@H]([NH2+][C@@H]1COC[C@H]1O)c1c(O)cccc1F ZINC000886620524 592277558 /nfs/dbraw/zinc/27/75/58/592277558.db2.gz MHAHLQOVPFYUFW-BCMRRPTOSA-N 1 1 241.262 0.942 20 10 BCCDMO NC1(C[NH2+]Cc2cc3c(cc2O)OCO3)CC1 ZINC000904451639 637416390 /nfs/dbraw/zinc/41/63/90/637416390.db2.gz XQKPEYJMOMNCIU-UHFFFAOYSA-N 1 1 236.271 0.702 20 10 BCCDMO COc1cccc(C[NH2+]CC2(N)CC2)c1O ZINC000904450265 637417238 /nfs/dbraw/zinc/41/72/38/637417238.db2.gz QKCHAEZWRBGTJM-UHFFFAOYSA-N 1 1 222.288 0.982 20 10 BCCDMO COc1cccc(O)c1CN[C@H]1C[C@H]([NH3+])C1 ZINC000906507827 638178411 /nfs/dbraw/zinc/17/84/11/638178411.db2.gz DZGKCNSMCVNVKQ-KYZUINATSA-N 1 1 222.288 0.980 20 10 BCCDMO C[C@@H]1C[N@@H+](Cc2ccccc2O)C[C@H](CO)O1 ZINC000191532171 641927885 /nfs/dbraw/zinc/92/78/85/641927885.db2.gz FTGKVFQEMZNNLT-ZYHUDNBSSA-N 1 1 237.299 0.974 20 10 BCCDMO COc1cc(O)c(C[N@@H+](C)CCO)cc1OC ZINC000183458834 643131014 /nfs/dbraw/zinc/13/10/14/643131014.db2.gz KTCIUOFKIAGWIQ-UHFFFAOYSA-N 1 1 241.287 0.834 20 10 BCCDMO Cn1cc(C[NH2+]Cc2cc(F)ccc2O)nn1 ZINC000389837506 711091484 /nfs/dbraw/zinc/09/14/84/711091484.db2.gz QRVYHKAWMMYNRP-UHFFFAOYSA-N 1 1 236.250 0.950 20 10 BCCDMO CN(C)C(=O)C[NH2+]Cc1cc(F)cc(F)c1O ZINC000708455126 712194706 /nfs/dbraw/zinc/19/47/06/712194706.db2.gz UBLHNTHUPCPARA-UHFFFAOYSA-N 1 1 244.241 0.848 20 10 BCCDMO OCC(CO)[NH2+]Cc1cc(F)cc(F)c1O ZINC000708437297 712195201 /nfs/dbraw/zinc/19/52/01/712195201.db2.gz QWUNTRHEGLIZCQ-UHFFFAOYSA-N 1 1 233.214 0.113 20 10 BCCDMO O=C1NCC[C@@H]1[NH2+]Cc1cc(F)cc(F)c1O ZINC000708496486 712212002 /nfs/dbraw/zinc/21/20/02/712212002.db2.gz KVTDENDJLNXYEE-VIFPVBQESA-N 1 1 242.225 0.649 20 10 BCCDMO C[C@@H]([NH2+][C@@H]1COC[C@H]1O)c1ccc(F)cc1O ZINC000295921401 388415623 /nfs/dbraw/zinc/41/56/23/388415623.db2.gz JYDOKAPWCJHNDG-NYRNMGCKSA-N 1 1 241.262 0.942 20 10 BCCDMO C[N@H+]1CC[C@H](CNC(=O)Cc2ccc(N)cc2)C1 ZINC000037645564 173145099 /nfs/dbraw/zinc/14/50/99/173145099.db2.gz KRDHMTKORBNSPL-GFCCVEGCSA-N 1 1 247.342 0.879 20 10 BCCDMO CNC(=O)C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000263816549 173270317 /nfs/dbraw/zinc/27/03/17/173270317.db2.gz WABMXTIAKSZIAP-UHFFFAOYSA-N 1 1 235.331 0.930 20 10 BCCDMO CNC(=O)C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000263816549 173270319 /nfs/dbraw/zinc/27/03/19/173270319.db2.gz WABMXTIAKSZIAP-UHFFFAOYSA-N 1 1 235.331 0.930 20 10 BCCDMO C[C@H](O)[C@H]1C[N@@H+](Cc2ccccc2O)CCO1 ZINC000840979917 587932994 /nfs/dbraw/zinc/93/29/94/587932994.db2.gz VOWLEZLGAKJMLP-GXFFZTMASA-N 1 1 237.299 0.974 20 10 BCCDMO C[C@@H](CN)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000841063849 587941349 /nfs/dbraw/zinc/94/13/49/587941349.db2.gz QSKGTBXYHMLOKW-LBPRGKRZSA-N 1 1 249.358 0.960 20 10 BCCDMO C[C@H](CN)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000841059950 587942078 /nfs/dbraw/zinc/94/20/78/587942078.db2.gz NTLMTFZCHGNHDR-SSDOTTSWSA-N 1 1 224.260 0.558 20 10 BCCDMO CN(Cc1cc(Cl)ccc1O)C[C@@H](O)C[NH3+] ZINC000841093034 587946261 /nfs/dbraw/zinc/94/62/61/587946261.db2.gz PTZCJNANZXZFGE-JTQLQIEISA-N 1 1 244.722 0.797 20 10 BCCDMO C[N@H+](Cc1ccccc1O)C[C@@H]1CNC(=O)C1 ZINC000851841913 588634247 /nfs/dbraw/zinc/63/42/47/588634247.db2.gz ZUCSMVNCCJRVGW-JTQLQIEISA-N 1 1 234.299 0.960 20 10 BCCDMO C[N@H+](Cc1ccccc1O)C[C@H]1CNCCO1 ZINC000125484784 590166453 /nfs/dbraw/zinc/16/64/53/590166453.db2.gz WWGAHZWWCZIAJM-GFCCVEGCSA-N 1 1 236.315 0.812 20 10 BCCDMO CN(Cc1ccccc1O)C[C@H]1C[NH2+]CCO1 ZINC000125484784 590166454 /nfs/dbraw/zinc/16/64/54/590166454.db2.gz WWGAHZWWCZIAJM-GFCCVEGCSA-N 1 1 236.315 0.812 20 10 BCCDMO Nc1ccc(NC(=O)[C@H]2CSC[NH2+]2)cc1 ZINC000131530912 591618111 /nfs/dbraw/zinc/61/81/11/591618111.db2.gz NTOLDFCPESPEBQ-SECBINFHSA-N 1 1 223.301 0.870 20 10 BCCDMO CNC(=O)C[N@@H+](C)Cc1cc(C)ccc1O ZINC000132592683 591722285 /nfs/dbraw/zinc/72/22/85/591722285.db2.gz FMNXDCSYHPEIPF-UHFFFAOYSA-N 1 1 222.288 0.878 20 10 BCCDMO Oc1ccccc1CN1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000848925634 645445993 /nfs/dbraw/zinc/44/59/93/645445993.db2.gz AQGPXOWKKYLUJV-QWHCGFSZSA-N 1 1 248.326 0.643 20 10 BCCDMO Oc1ccccc1C[N@@H+]1CCN2C[C@H](O)C[C@H]2C1 ZINC000848925634 645445998 /nfs/dbraw/zinc/44/59/98/645445998.db2.gz AQGPXOWKKYLUJV-QWHCGFSZSA-N 1 1 248.326 0.643 20 10 BCCDMO Oc1ccccc1C[N@H+]1CCN2C[C@H](O)C[C@H]2C1 ZINC000848925634 645446001 /nfs/dbraw/zinc/44/60/01/645446001.db2.gz AQGPXOWKKYLUJV-QWHCGFSZSA-N 1 1 248.326 0.643 20 10 BCCDMO C[N@H+](Cc1ccccc1O)C[C@@H](O)CO ZINC000929975939 646383232 /nfs/dbraw/zinc/38/32/32/646383232.db2.gz KNVWYHCJZRNMDM-SNVBAGLBSA-N 1 1 211.261 0.177 20 10 BCCDMO C[C@@H]([NH2+]Cc1nnnn1C)c1ccccc1O ZINC000389337422 712689111 /nfs/dbraw/zinc/68/91/11/712689111.db2.gz YSXKWXNZNBMJPB-MRVPVSSYSA-N 1 1 233.275 0.767 20 10 BCCDMO OC[C@H]1C[C@@H](O)C[N@H+]1Cc1cc(F)ccc1O ZINC000370384151 187385511 /nfs/dbraw/zinc/38/55/11/187385511.db2.gz CKTSXLKYPCJSMF-GHMZBOCLSA-N 1 1 241.262 0.459 20 10 BCCDMO OC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cccc(F)c1O ZINC000370398028 183129087 /nfs/dbraw/zinc/12/90/87/183129087.db2.gz GEVAAXUOAVHBNQ-VHSXEESVSA-N 1 1 241.262 0.459 20 10 BCCDMO OC[C@@H]1C[C@@H](O)C[N@H+]1Cc1cccc(F)c1O ZINC000370398028 183129089 /nfs/dbraw/zinc/12/90/89/183129089.db2.gz GEVAAXUOAVHBNQ-VHSXEESVSA-N 1 1 241.262 0.459 20 10 BCCDMO CN(C)c1ccc(C[N@H+](C)CC(N)=O)cc1F ZINC000271057483 385779279 /nfs/dbraw/zinc/77/92/79/385779279.db2.gz UOJVOBWXNVEREK-UHFFFAOYSA-N 1 1 239.294 0.809 20 10 BCCDMO CN(C)c1ccc(C[N@@H+](C)CC(N)=O)cc1F ZINC000271057483 385779281 /nfs/dbraw/zinc/77/92/81/385779281.db2.gz UOJVOBWXNVEREK-UHFFFAOYSA-N 1 1 239.294 0.809 20 10 BCCDMO O=C1CN(Cc2cccc(F)c2[O-])CCN1 ZINC000272256538 385887894 /nfs/dbraw/zinc/88/78/94/385887894.db2.gz JFYRIBUAZZXBCL-UHFFFAOYSA-N 1 1 224.235 0.463 20 10 BCCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCO)c1 ZINC000273365962 385992023 /nfs/dbraw/zinc/99/20/23/385992023.db2.gz FCGWWPPKLZWHQV-QMMMGPOBSA-N 1 1 239.271 0.822 20 10 BCCDMO C[N@H+](CC(N)=O)Cc1cc(F)ccc1O ZINC000226562177 388722612 /nfs/dbraw/zinc/72/26/12/388722612.db2.gz AJLGUVRWHMKCEG-UHFFFAOYSA-N 1 1 212.224 0.448 20 10 BCCDMO C[C@@H]1C(=O)NCC[N@H+]1Cc1ccccc1O ZINC000179565317 176046807 /nfs/dbraw/zinc/04/68/07/176046807.db2.gz RHZBKUZZKVRACU-SECBINFHSA-N 1 1 220.272 0.713 20 10 BCCDMO C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccccc1O ZINC000179565317 176046809 /nfs/dbraw/zinc/04/68/09/176046809.db2.gz RHZBKUZZKVRACU-SECBINFHSA-N 1 1 220.272 0.713 20 10 BCCDMO C[C@H]1C[N@H+](Cc2ccccc2O)CC(=O)N1 ZINC000294685723 177266923 /nfs/dbraw/zinc/26/69/23/177266923.db2.gz AFFIVKBHPVHVPG-VIFPVBQESA-N 1 1 220.272 0.713 20 10 BCCDMO C[C@H]1C[N@@H+](Cc2ccccc2O)CC(=O)N1 ZINC000294685723 177266925 /nfs/dbraw/zinc/26/69/25/177266925.db2.gz AFFIVKBHPVHVPG-VIFPVBQESA-N 1 1 220.272 0.713 20 10 BCCDMO Oc1ccccc1C[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000895649655 583699746 /nfs/dbraw/zinc/69/97/46/583699746.db2.gz RSEQYIBBEMQSBI-JQWIXIFHSA-N 1 1 205.257 0.959 20 10 BCCDMO Nc1ccc(CC(=O)NCC(F)(F)C[NH3+])cc1 ZINC000834539549 587758774 /nfs/dbraw/zinc/75/87/74/587758774.db2.gz COMLLOATFQAEKT-UHFFFAOYSA-N 1 1 243.257 0.522 20 10 BCCDMO NC1(C[NH2+]Cc2ccccc2O)CCOCC1 ZINC000863482043 589292411 /nfs/dbraw/zinc/29/24/11/589292411.db2.gz QJHCCEOOLVXYNZ-UHFFFAOYSA-N 1 1 236.315 0.990 20 10 BCCDMO C[N@H+](Cc1ccccc1O)C[C@@H]1CNCCO1 ZINC000125484425 590166434 /nfs/dbraw/zinc/16/64/34/590166434.db2.gz WWGAHZWWCZIAJM-LBPRGKRZSA-N 1 1 236.315 0.812 20 10 BCCDMO CN(Cc1ccccc1O)C[C@@H]1C[NH2+]CCO1 ZINC000125484425 590166435 /nfs/dbraw/zinc/16/64/35/590166435.db2.gz WWGAHZWWCZIAJM-LBPRGKRZSA-N 1 1 236.315 0.812 20 10 BCCDMO CN(C(=O)[C@H]1CSC[NH2+]1)c1ccc(N)cc1 ZINC000877077497 590279150 /nfs/dbraw/zinc/27/91/50/590279150.db2.gz KWBXRHATRGTGFR-SNVBAGLBSA-N 1 1 237.328 0.894 20 10 BCCDMO CO[C@@H]1C[N@@H+](Cc2ccc(C)cc2O)C[C@H]1O ZINC000877569852 590362196 /nfs/dbraw/zinc/36/21/96/590362196.db2.gz BRPDBMQATQAPRH-CHWSQXEVSA-N 1 1 237.299 0.892 20 10 BCCDMO COCC1(O)C[NH+](Cc2ccc(C)cc2O)C1 ZINC000877582110 590366083 /nfs/dbraw/zinc/36/60/83/590366083.db2.gz IVIUYLSTNTUADP-UHFFFAOYSA-N 1 1 237.299 0.894 20 10 BCCDMO COc1ccc(O)c(C[NH2+]CC2(N)CC2)c1 ZINC000904448583 637414710 /nfs/dbraw/zinc/41/47/10/637414710.db2.gz BXUUOJQIWOVUQW-UHFFFAOYSA-N 1 1 222.288 0.982 20 10 BCCDMO COc1ccc(O)c(CNCC2([NH3+])CC2)c1 ZINC000904448583 637414718 /nfs/dbraw/zinc/41/47/18/637414718.db2.gz BXUUOJQIWOVUQW-UHFFFAOYSA-N 1 1 222.288 0.982 20 10 BCCDMO Nc1ccc(CCN[C@@H]2C[NH2+]CCOC2)cc1 ZINC000925690102 646416542 /nfs/dbraw/zinc/41/65/42/646416542.db2.gz DZZLKLIXQCXNHL-CYBMUJFWSA-N 1 1 235.331 0.389 20 10 BCCDMO [NH3+]C[C@H]1CN(Cc2ccccc2O)CCCO1 ZINC000313359596 711717571 /nfs/dbraw/zinc/71/75/71/711717571.db2.gz RTVBBDSSZUHRBX-LBPRGKRZSA-N 1 1 236.315 0.942 20 10 BCCDMO C[C@@H](NC[C@@H](O)C[NH+](C)C)c1ccccc1O ZINC000717276463 712642349 /nfs/dbraw/zinc/64/23/49/712642349.db2.gz FXCAFRMHTHOCNF-GHMZBOCLSA-N 1 1 238.331 0.965 20 10 BCCDMO Cc1cccc(C[N@@H+](CCO)CCCO)c1O ZINC000271754111 179071433 /nfs/dbraw/zinc/07/14/33/179071433.db2.gz WPHVRYKIWRTTGX-UHFFFAOYSA-N 1 1 239.315 0.877 20 10 BCCDMO OC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1O ZINC000359973386 183130047 /nfs/dbraw/zinc/13/00/47/183130047.db2.gz KYEWFXUMHLTRNQ-WDEREUQCSA-N 1 1 223.272 0.320 20 10 BCCDMO OC[C@H]1C[C@H](O)C[N@@H+]1Cc1cccc(F)c1O ZINC000370398029 183156610 /nfs/dbraw/zinc/15/66/10/183156610.db2.gz GEVAAXUOAVHBNQ-ZJUUUORDSA-N 1 1 241.262 0.459 20 10 BCCDMO OC[C@H]1C[C@H](O)C[N@H+]1Cc1cccc(F)c1O ZINC000370398029 183156612 /nfs/dbraw/zinc/15/66/12/183156612.db2.gz GEVAAXUOAVHBNQ-ZJUUUORDSA-N 1 1 241.262 0.459 20 10 BCCDMO C[N@@H+](CCO)Cc1cc2c(cc1O)OCO2 ZINC000127929388 384964941 /nfs/dbraw/zinc/96/49/41/384964941.db2.gz NSVSBWRWYGLGMV-UHFFFAOYSA-N 1 1 225.244 0.545 20 10 BCCDMO O=C1CC[N@@H+](Cc2ccccc2O)CCN1 ZINC000179570585 385474058 /nfs/dbraw/zinc/47/40/58/385474058.db2.gz BTMBFZFJUFMWKO-UHFFFAOYSA-N 1 1 220.272 0.714 20 10 BCCDMO C[C@@H](CO)[N@@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000289498094 386316969 /nfs/dbraw/zinc/31/69/69/386316969.db2.gz SOHCMKHHCKUILH-QMMMGPOBSA-N 1 1 239.271 0.934 20 10 BCCDMO Cc1ccc(O)c(C[N@H+]2C[C@@H](O)C[C@@H]2CO)c1 ZINC000359975639 387791065 /nfs/dbraw/zinc/79/10/65/387791065.db2.gz RGQHSMHCXLASKB-NEPJUHHUSA-N 1 1 237.299 0.628 20 10 BCCDMO C[C@H]([NH2+][C@@H]1COC[C@H]1O)c1ccc(F)cc1O ZINC000295921399 388415539 /nfs/dbraw/zinc/41/55/39/388415539.db2.gz JYDOKAPWCJHNDG-HNBZJPLGSA-N 1 1 241.262 0.942 20 10 BCCDMO COCC[N@@H+](CCO)Cc1ccccc1O ZINC000128552316 174295397 /nfs/dbraw/zinc/29/53/97/174295397.db2.gz LLSHCVPPUISUCD-UHFFFAOYSA-N 1 1 225.288 0.833 20 10 BCCDMO COc1ccc(O)c(C[N@H+]2CC[C@H](O)C2)c1 ZINC000132492683 175156971 /nfs/dbraw/zinc/15/69/71/175156971.db2.gz GUJAJZJZTKSCFA-JTQLQIEISA-N 1 1 223.272 0.967 20 10 BCCDMO COc1cc(C)cc(C[N@H+](C)CC(N)=O)c1O ZINC000893926915 583249026 /nfs/dbraw/zinc/24/90/26/583249026.db2.gz XSGLNZLCSDCKSS-UHFFFAOYSA-N 1 1 238.287 0.626 20 10 BCCDMO COc1cc(C)cc(C[N@@H+](C)CC(N)=O)c1O ZINC000893926915 583249028 /nfs/dbraw/zinc/24/90/28/583249028.db2.gz XSGLNZLCSDCKSS-UHFFFAOYSA-N 1 1 238.287 0.626 20 10 BCCDMO CC[N@H+](CC(N)=O)Cc1c(O)cccc1OC ZINC000789594535 585945366 /nfs/dbraw/zinc/94/53/66/585945366.db2.gz AKXPOBZZLWIWDZ-UHFFFAOYSA-N 1 1 238.287 0.708 20 10 BCCDMO CC(=O)NC1C[NH+](Cc2ccccc2O)C1 ZINC000813331266 586600620 /nfs/dbraw/zinc/60/06/20/586600620.db2.gz HPKSDQFKFATVOR-UHFFFAOYSA-N 1 1 220.272 0.713 20 10 BCCDMO CC(C)[N@H+](Cc1ccccc1O)C[C@H](O)CO ZINC000817417945 586803351 /nfs/dbraw/zinc/80/33/51/586803351.db2.gz VJCKSXVGYMLNRF-LBPRGKRZSA-N 1 1 239.315 0.956 20 10 BCCDMO Cc1ccc(C[N@@H+]2CCO[C@@H](CO)C2)c(O)c1 ZINC000876724582 590233674 /nfs/dbraw/zinc/23/36/74/590233674.db2.gz BSNPVSRWDCWBNN-GFCCVEGCSA-N 1 1 237.299 0.894 20 10 BCCDMO Cc1ccc(C[N@H+]2CCO[C@@H](CO)C2)c(O)c1 ZINC000876724582 590233675 /nfs/dbraw/zinc/23/36/75/590233675.db2.gz BSNPVSRWDCWBNN-GFCCVEGCSA-N 1 1 237.299 0.894 20 10 BCCDMO Cc1ccc(C[N@H+]2CC[C@@H](O)[C@@H](O)C2)c(O)c1 ZINC000877750203 590414265 /nfs/dbraw/zinc/41/42/65/590414265.db2.gz JUGVZFHTPWVIDK-YPMHNXCESA-N 1 1 237.299 0.628 20 10 BCCDMO Cn1ncnc1C[NH2+]Cc1ccccc1O ZINC000127544620 590704056 /nfs/dbraw/zinc/70/40/56/590704056.db2.gz LCGPMQVDQVQOGC-UHFFFAOYSA-N 1 1 218.260 0.811 20 10 BCCDMO CN1CCN(c2ccc(CNC(N)=[NH2+])cc2)CC1 ZINC000887323965 592480648 /nfs/dbraw/zinc/48/06/48/592480648.db2.gz NNVQWDYGYDIFQR-UHFFFAOYSA-N 1 1 247.346 0.421 20 10 BCCDMO C[C@@H]1C[N@@H+](Cc2ccccc2O)C[C@@H](CO)O1 ZINC000248955475 635685420 /nfs/dbraw/zinc/68/54/20/635685420.db2.gz FTGKVFQEMZNNLT-PWSUYJOCSA-N 1 1 237.299 0.974 20 10 BCCDMO [NH3+]C1CC(NCc2cc3c(cc2O)OCO3)C1 ZINC000906509542 638180869 /nfs/dbraw/zinc/18/08/69/638180869.db2.gz IMYGFQFFTPFBJU-UHFFFAOYSA-N 1 1 236.271 0.700 20 10 BCCDMO Oc1ccccc1CN1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000846067994 645396998 /nfs/dbraw/zinc/39/69/98/645396998.db2.gz OFAMTWQIOCMMGF-CYBMUJFWSA-N 1 1 248.326 0.643 20 10 BCCDMO Oc1ccccc1C[NH+]1CC(N2CC[C@@H](O)C2)C1 ZINC000846067994 645397007 /nfs/dbraw/zinc/39/70/07/645397007.db2.gz OFAMTWQIOCMMGF-CYBMUJFWSA-N 1 1 248.326 0.643 20 10 BCCDMO CCC[N@H+](Cc1ccccc1O)C[C@H](O)CO ZINC000929752706 646282407 /nfs/dbraw/zinc/28/24/07/646282407.db2.gz DZWFQNZJQIQSOX-LBPRGKRZSA-N 1 1 239.315 0.957 20 10 BCCDMO Cc1cccc(C[N@@H+](C)CC(N)=O)c1O ZINC000162809570 711680315 /nfs/dbraw/zinc/68/03/15/711680315.db2.gz FDQSTKYSDAOVOL-UHFFFAOYSA-N 1 1 208.261 0.618 20 10 BCCDMO COc1ccc(C[NH2+]Cc2cnn(C)n2)c(O)c1 ZINC000389819348 711091042 /nfs/dbraw/zinc/09/10/42/711091042.db2.gz YEMRLKAQZQIYEE-UHFFFAOYSA-N 1 1 248.286 0.819 20 10 BCCDMO 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ZINC000132488855 175156947 /nfs/dbraw/zinc/15/69/47/175156947.db2.gz GUJAJZJZTKSCFA-SNVBAGLBSA-N 1 1 223.272 0.967 20 10 BCCDMO C[N@@H+](CCO)CCNC(=O)C1=CC(=O)CS1 ZINC000899734034 584235383 /nfs/dbraw/zinc/23/53/83/584235383.db2.gz ROXQJKFPUBJTRV-UHFFFAOYSA-N 1 1 244.316 0.108 20 10 BCCDMO Oc1c(F)cccc1C[NH2+][C@H]1CNOC1 ZINC000904425395 584881515 /nfs/dbraw/zinc/88/15/15/584881515.db2.gz KZZMUDBKWJNOFV-QMMMGPOBSA-N 1 1 212.224 0.524 20 10 BCCDMO Cc1ccc(O)c(C[N@@H+]2CCO[C@H](CO)C2)c1 ZINC000769396338 585555386 /nfs/dbraw/zinc/55/53/86/585555386.db2.gz KKFDCIBWLFAQHS-LBPRGKRZSA-N 1 1 237.299 0.894 20 10 BCCDMO Cc1ccc(O)c(C[N@H+]2CCO[C@H](CO)C2)c1 ZINC000769396338 585555387 /nfs/dbraw/zinc/55/53/87/585555387.db2.gz KKFDCIBWLFAQHS-LBPRGKRZSA-N 1 1 237.299 0.894 20 10 BCCDMO Cc1cccc(C[N@@H+]2C[C@H](O)C[C@H](O)C2)c1O ZINC000775735836 585683627 /nfs/dbraw/zinc/68/36/27/585683627.db2.gz ZHYGWPIGVJMVRA-TXEJJXNPSA-N 1 1 237.299 0.628 20 10 BCCDMO Oc1ccccc1C[N@H+]1C[C@@H]2COC[C@H](C1)O2 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ZINC000876751331 590238013 /nfs/dbraw/zinc/23/80/13/590238013.db2.gz WAEUMNTXJNCSTL-TXEJJXNPSA-N 1 1 223.272 0.238 20 10 BCCDMO Cc1cccc(O)c1C[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000877750656 590414923 /nfs/dbraw/zinc/41/49/23/590414923.db2.gz UGLOKISRUXXXJS-OLZOCXBDSA-N 1 1 237.299 0.628 20 10 BCCDMO O=C(NCc1ccccc1O)[C@H]1CSC[NH2+]1 ZINC000162967880 635269853 /nfs/dbraw/zinc/26/98/53/635269853.db2.gz WEBRZBUFFBQEOH-SECBINFHSA-N 1 1 238.312 0.671 20 10 BCCDMO C[C@H]1C[N@@H+](Cc2ccccc2O)C[C@@H](CO)O1 ZINC000248955472 635684914 /nfs/dbraw/zinc/68/49/14/635684914.db2.gz FTGKVFQEMZNNLT-JQWIXIFHSA-N 1 1 237.299 0.974 20 10 BCCDMO Cc1cccc(O)c1C[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000876796674 645787106 /nfs/dbraw/zinc/78/71/06/645787106.db2.gz HQDKHBOZTWXIPR-PHIMTYICSA-N 1 1 237.299 0.628 20 10 BCCDMO C[C@H](O)[C@@H](O)C[N@@H+](C)Cc1ccccc1O ZINC000929969928 646382816 /nfs/dbraw/zinc/38/28/16/646382816.db2.gz GEXUPUKDCOKKIJ-CABZTGNLSA-N 1 1 225.288 0.566 20 10 BCCDMO C[C@@H](O)[C@@H](O)C[NH2+]Cc1cc(F)cc(F)c1O ZINC000708435468 712193468 /nfs/dbraw/zinc/19/34/68/712193468.db2.gz CSEQBOSXLXYCKB-LDWIPMOCSA-N 1 1 247.241 0.502 20 10 BCCDMO OC[C@H](O)C[NH2+]Cc1cc(F)cc(F)c1O ZINC000708435123 712194134 /nfs/dbraw/zinc/19/41/34/712194134.db2.gz AXOQQWCXLCARMH-MRVPVSSYSA-N 1 1 233.214 0.113 20 10 BCCDMO Cc1cccc(C[N@H+]2CCN(C)C(=O)C2)c1O ZINC000180292339 179075818 /nfs/dbraw/zinc/07/58/18/179075818.db2.gz VMAPMZVMPCFZIK-UHFFFAOYSA-N 1 1 234.299 0.975 20 10 BCCDMO Cc1cccc(C[N@@H+]2CCN(C)C(=O)C2)c1O ZINC000180292339 179075819 /nfs/dbraw/zinc/07/58/19/179075819.db2.gz VMAPMZVMPCFZIK-UHFFFAOYSA-N 1 1 234.299 0.975 20 10 BCCDMO NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC000271259046 181261706 /nfs/dbraw/zinc/26/17/06/181261706.db2.gz IDWWYHQLIPHPGZ-JTQLQIEISA-N 1 1 235.287 0.635 20 10 BCCDMO CC[N@@H+](CCO)Cc1cc2c(cc1O)OCO2 ZINC000158676175 384256849 /nfs/dbraw/zinc/25/68/49/384256849.db2.gz XHJDMCZPVBGDNJ-UHFFFAOYSA-N 1 1 239.271 0.935 20 10 BCCDMO 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Cc1ccc(O)c(C[N@@H+]2C[C@H](O)C[C@H](O)C2)c1 ZINC000769564215 585559598 /nfs/dbraw/zinc/55/95/98/585559598.db2.gz MJSCJVARCGNWST-TXEJJXNPSA-N 1 1 237.299 0.628 20 10 BCCDMO C[N@@H+](Cc1ccccc1O)[C@H]1CCC(=O)NC1=O ZINC000771309781 585592512 /nfs/dbraw/zinc/59/25/12/585592512.db2.gz VEBUNOYFBCCYSI-JTQLQIEISA-N 1 1 248.282 0.629 20 10 BCCDMO Cc1cccc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)c1O ZINC000775701565 585683216 /nfs/dbraw/zinc/68/32/16/585683216.db2.gz GVVHNCXWXTULSE-PHIMTYICSA-N 1 1 223.272 0.238 20 10 BCCDMO O=C1C[N@H+](Cc2cc(F)ccc2O)CCCN1 ZINC000779002628 585743882 /nfs/dbraw/zinc/74/38/82/585743882.db2.gz KPHRQGCLYDDDDG-UHFFFAOYSA-N 1 1 238.262 0.853 20 10 BCCDMO O=C1C[N@@H+](Cc2cc(F)ccc2O)CCCN1 ZINC000779002628 585743883 /nfs/dbraw/zinc/74/38/83/585743883.db2.gz KPHRQGCLYDDDDG-UHFFFAOYSA-N 1 1 238.262 0.853 20 10 BCCDMO C[N@H+](Cc1cccc(Cl)c1[O-])C[C@@H](O)C[NH3+] ZINC000841094565 587946222 /nfs/dbraw/zinc/94/62/22/587946222.db2.gz YUHCNUUYOXDXJZ-VIFPVBQESA-N 1 1 244.722 0.797 20 10 BCCDMO Oc1c(F)cccc1C[NH2+]C[C@H]1CNCCO1 ZINC000841099815 587946592 /nfs/dbraw/zinc/94/65/92/587946592.db2.gz YEWLTQCEOGTHCU-SNVBAGLBSA-N 1 1 240.278 0.609 20 10 BCCDMO Cc1ccc(C[N@@H+](C)CC(N)=O)c(O)c1 ZINC000876567010 590216422 /nfs/dbraw/zinc/21/64/22/590216422.db2.gz ZIYWAAXOUYUMDH-UHFFFAOYSA-N 1 1 208.261 0.618 20 10 BCCDMO Cc1ccc(C[N@H+]2C[C@H](O)C[C@H]2CO)c(O)c1 ZINC000877417617 590324752 /nfs/dbraw/zinc/32/47/52/590324752.db2.gz WIWFXQBOXDYCSL-NWDGAFQWSA-N 1 1 237.299 0.628 20 10 BCCDMO Cc1cccc(O)c1C[N@H+]1CCOC[C@H](O)C1 ZINC000877561359 590359728 /nfs/dbraw/zinc/35/97/28/590359728.db2.gz KPQPPZWUQVSUDG-LLVKDONJSA-N 1 1 237.299 0.894 20 10 BCCDMO Nc1ccc(NC(=O)[C@@H]2CSC[NH2+]2)cc1 ZINC000131530716 591617275 /nfs/dbraw/zinc/61/72/75/591617275.db2.gz NTOLDFCPESPEBQ-VIFPVBQESA-N 1 1 223.301 0.870 20 10 BCCDMO Oc1cc2c(cc1C[N@@H+]1CC[C@H](O)C1)OCO2 ZINC000157683362 641623123 /nfs/dbraw/zinc/62/31/23/641623123.db2.gz OWJLCKYLCAYSTQ-VIFPVBQESA-N 1 1 237.255 0.688 20 10 BCCDMO 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COCC1(O)C[NH+](Cc2cc(C)ccc2O)C1 ZINC000839143055 585094722 /nfs/dbraw/zinc/09/47/22/585094722.db2.gz OBWROFXQCASGMZ-UHFFFAOYSA-N 1 1 237.299 0.894 20 10 BCCDMO NC(=O)c1cc(C[NH2+]Cc2ccccc2O)on1 ZINC000757908140 585346841 /nfs/dbraw/zinc/34/68/41/585346841.db2.gz ZYGDIOVKUVPPRW-UHFFFAOYSA-N 1 1 247.254 0.769 20 10 BCCDMO CN(C)c1ccc(CNC[C@@H]2C[NH2+]CCO2)cc1 ZINC000841099605 587946389 /nfs/dbraw/zinc/94/63/89/587946389.db2.gz SPUKUVXJNFQEKN-AWEZNQCLSA-N 1 1 249.358 0.831 20 10 BCCDMO CN(C)c1ccc(CNC[C@H]2C[NH2+]CCO2)cc1 ZINC000841099606 587946732 /nfs/dbraw/zinc/94/67/32/587946732.db2.gz SPUKUVXJNFQEKN-CQSZACIVSA-N 1 1 249.358 0.831 20 10 BCCDMO CCc1cccc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)c1O ZINC000848887584 588417902 /nfs/dbraw/zinc/41/79/02/588417902.db2.gz ZOLRFDCQZOOHDU-TXEJJXNPSA-N 1 1 237.299 0.492 20 10 BCCDMO Cc1cccc(O)c1C[N@H+]1CCO[C@H](CO)C1 ZINC000876725744 590233226 /nfs/dbraw/zinc/23/32/26/590233226.db2.gz WPNRSTBVGQFELJ-NSHDSACASA-N 1 1 237.299 0.894 20 10 BCCDMO CC[N@@H+](CC(=O)NC)Cc1ccccc1O ZINC000132676320 591729317 /nfs/dbraw/zinc/72/93/17/591729317.db2.gz AMICWYVZAXNNSP-UHFFFAOYSA-N 1 1 222.288 0.960 20 10 BCCDMO C[C@@H](CC(N)=O)[NH2+]Cc1cccc(F)c1O ZINC000163178487 636135911 /nfs/dbraw/zinc/13/59/11/636135911.db2.gz COWXIEDQGLEERB-ZETCQYMHSA-N 1 1 226.251 0.885 20 10 BCCDMO [NH3+][C@H]1C[C@H](NCc2cc3c(cc2O)OCO3)C1 ZINC000906508037 638179253 /nfs/dbraw/zinc/17/92/53/638179253.db2.gz IMYGFQFFTPFBJU-KYZUINATSA-N 1 1 236.271 0.700 20 10 BCCDMO C[N@H+]1CC[C@@H](C(=O)NCc2ccccc2O)C1 ZINC000386349259 711027586 /nfs/dbraw/zinc/02/75/86/711027586.db2.gz UKTVRQBAEQVTCO-LLVKDONJSA-N 1 1 234.299 0.960 20 10 BCCDMO C[C@](O)(CO)C[NH2+]Cc1cc(F)cc(F)c1O ZINC000708487650 712210976 /nfs/dbraw/zinc/21/09/76/712210976.db2.gz ZTJMXGHKHJNHSR-LLVKDONJSA-N 1 1 247.241 0.503 20 10 BCCDMO Cc1cccc(C[N@H+]2C[C@@H](O)C[C@H]2CO)c1O ZINC000187670874 179083920 /nfs/dbraw/zinc/08/39/20/179083920.db2.gz KTTRTRYTIRGQTG-RYUDHWBXSA-N 1 1 237.299 0.628 20 10 BCCDMO [O-]c1c(Cl)cccc1C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000278388407 188204067 /nfs/dbraw/zinc/20/40/67/188204067.db2.gz MPFJBYLKYPBVTD-AOOOYVTPSA-N 1 1 243.690 0.583 20 10 BCCDMO Oc1ccc(F)cc1C[N@@H+]1CCOC[C@@H](O)C1 ZINC000294662501 183275405 /nfs/dbraw/zinc/27/54/05/183275405.db2.gz AGWZXYIKUYKKOV-NSHDSACASA-N 1 1 241.262 0.724 20 10 BCCDMO O=C1NC[C@H]2C[N@@H+](Cc3ccccc3O)CC[C@@H]12 ZINC000367940005 384965196 /nfs/dbraw/zinc/96/51/96/384965196.db2.gz BIYGSUGMJMJKDB-NWDGAFQWSA-N 1 1 246.310 0.960 20 10 BCCDMO C[N@@H+](CCOCCO)Cc1cc(F)ccc1O ZINC000282841884 385790496 /nfs/dbraw/zinc/79/04/96/385790496.db2.gz VRTIFQWTNHBCSV-UHFFFAOYSA-N 1 1 243.278 0.972 20 10 BCCDMO CC[N@@H+](CC(N)=O)Cc1ccccc1O ZINC000188466276 386690481 /nfs/dbraw/zinc/69/04/81/386690481.db2.gz IYJRLUIDKVRKGI-UHFFFAOYSA-N 1 1 208.261 0.699 20 10 BCCDMO COc1ccc(O)c(C[N@@H+](C)CCC(N)=O)c1 ZINC000289699073 175157781 /nfs/dbraw/zinc/15/77/81/175157781.db2.gz ONNUCPQFCLHKFJ-UHFFFAOYSA-N 1 1 238.287 0.708 20 10 BCCDMO COc1cccc(C[N@@H+](C)CCO)c1O ZINC000127925880 175256203 /nfs/dbraw/zinc/25/62/03/175256203.db2.gz REOMGXQVKGALDP-UHFFFAOYSA-N 1 1 211.261 0.825 20 10 BCCDMO C[C@H]1C(=O)NCC[N@H+]1Cc1ccccc1O ZINC000179565328 177060546 /nfs/dbraw/zinc/06/05/46/177060546.db2.gz RHZBKUZZKVRACU-VIFPVBQESA-N 1 1 220.272 0.713 20 10 BCCDMO C[C@H]1C(=O)NCC[N@@H+]1Cc1ccccc1O ZINC000179565328 177060547 /nfs/dbraw/zinc/06/05/47/177060547.db2.gz RHZBKUZZKVRACU-VIFPVBQESA-N 1 1 220.272 0.713 20 10 BCCDMO Oc1ccccc1C[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000895649657 583700078 /nfs/dbraw/zinc/70/00/78/583700078.db2.gz RSEQYIBBEMQSBI-ZYHUDNBSSA-N 1 1 205.257 0.959 20 10 BCCDMO COc1cccc(O)c1C[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000895651321 583701070 /nfs/dbraw/zinc/70/10/70/583701070.db2.gz ZVCNRAVMSXOBBP-ZANVPECISA-N 1 1 235.283 0.967 20 10 BCCDMO COc1ccc(O)c(C[N@H+]2C[C@H]3C[C@@]3(O)C2)c1 ZINC000895651908 583703406 /nfs/dbraw/zinc/70/34/06/583703406.db2.gz DFTJMMXXIJXDQA-ZWNOBZJWSA-N 1 1 235.283 0.967 20 10 BCCDMO O=c1[nH]nc2n1CCN(Cc1ccccc1O)C2 ZINC000761511904 585416729 /nfs/dbraw/zinc/41/67/29/585416729.db2.gz UILKLUWRPNLBQF-UHFFFAOYSA-N 1 1 246.270 0.705 20 10 BCCDMO Oc1ccccc1C[N@@H+]1CCOC[C@H](O)C1 ZINC000824625615 587279659 /nfs/dbraw/zinc/27/96/59/587279659.db2.gz LPSHJRFCSDMYJK-LLVKDONJSA-N 1 1 223.272 0.585 20 10 BCCDMO COCCNCC[NH2+]Cc1cc(F)ccc1O ZINC000841048764 587939658 /nfs/dbraw/zinc/93/96/58/587939658.db2.gz TZHXBUOIQIAMAL-UHFFFAOYSA-N 1 1 242.294 0.857 20 10 BCCDMO C[NH2+]C[C@](C)(O)CN(C)Cc1ccccc1O ZINC000846217827 588260728 /nfs/dbraw/zinc/26/07/28/588260728.db2.gz DGFVLTCBMMZBDL-ZDUSSCGKSA-N 1 1 238.331 0.794 20 10 BCCDMO CN(C(=O)[C@@H]1CSC[NH2+]1)c1ccc(N)cc1 ZINC000877077496 590278846 /nfs/dbraw/zinc/27/88/46/590278846.db2.gz KWBXRHATRGTGFR-JTQLQIEISA-N 1 1 237.328 0.894 20 10 BCCDMO CNC(=O)C[N@@H+](C)Cc1c(C)cccc1O ZINC000877642639 590382708 /nfs/dbraw/zinc/38/27/08/590382708.db2.gz PFOFNUZPOHCDAW-UHFFFAOYSA-N 1 1 222.288 0.878 20 10 BCCDMO CNC(=O)C[N@H+](C)Cc1cc(OC)ccc1O ZINC000132112895 591687293 /nfs/dbraw/zinc/68/72/93/591687293.db2.gz OBVYADWZYBPELQ-UHFFFAOYSA-N 1 1 238.287 0.579 20 10 BCCDMO CNC(=O)C[N@@H+](C)Cc1cc(OC)ccc1O ZINC000132112895 591687298 /nfs/dbraw/zinc/68/72/98/591687298.db2.gz OBVYADWZYBPELQ-UHFFFAOYSA-N 1 1 238.287 0.579 20 10 BCCDMO COC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1O ZINC000846053792 645394714 /nfs/dbraw/zinc/39/47/14/645394714.db2.gz WXQACXVQPYYAHD-VXGBXAGGSA-N 1 1 237.299 0.974 20 10 BCCDMO C[C@@H](NC[C@H](O)C[NH+](C)C)c1ccccc1O ZINC000717276465 712642252 /nfs/dbraw/zinc/64/22/52/712642252.db2.gz FXCAFRMHTHOCNF-MNOVXSKESA-N 1 1 238.331 0.965 20 10 BCCDMO C[N@H+](Cc1n[nH]c(=O)[n-]1)Cc1ccccc1O ZINC000091619342 345601291 /nfs/dbraw/zinc/60/12/91/345601291.db2.gz MKAIHZYEJKLWNJ-UHFFFAOYSA-N 1 1 234.259 0.848 20 10 BCCDMO C[N@@H+](Cc1n[nH]c(=O)[n-]1)Cc1ccccc1O ZINC000091619342 345601294 /nfs/dbraw/zinc/60/12/94/345601294.db2.gz MKAIHZYEJKLWNJ-UHFFFAOYSA-N 1 1 234.259 0.848 20 10 BCCDMO Cc1cccc(C[N@H+]2CCOC[C@H](O)C2)c1O ZINC000294774518 179078863 /nfs/dbraw/zinc/07/88/63/179078863.db2.gz KOLTYAHAZFJABP-GFCCVEGCSA-N 1 1 237.299 0.894 20 10 BCCDMO Cc1cccc(C[N@H+]2C[C@@H](O)C[C@@H]2CO)c1O ZINC000359973369 179085237 /nfs/dbraw/zinc/08/52/37/179085237.db2.gz KTTRTRYTIRGQTG-NEPJUHHUSA-N 1 1 237.299 0.628 20 10 BCCDMO CN(C)c1ccc(C2=CC[N@H+](CC(N)=O)C2)cc1 ZINC000374323676 188075966 /nfs/dbraw/zinc/07/59/66/188075966.db2.gz IXZZXSAITKZPOP-UHFFFAOYSA-N 1 1 245.326 0.937 20 10 BCCDMO CN(C)c1ccc(C2=CC[N@@H+](CC(N)=O)C2)cc1 ZINC000374323676 188075968 /nfs/dbraw/zinc/07/59/68/188075968.db2.gz IXZZXSAITKZPOP-UHFFFAOYSA-N 1 1 245.326 0.937 20 10 BCCDMO NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2O)CCO1 ZINC000179566462 181272421 /nfs/dbraw/zinc/27/24/21/181272421.db2.gz WWTRFKQTVIVXKR-NSHDSACASA-N 1 1 236.271 0.078 20 10 BCCDMO NC(=O)[C@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC000183293763 181283243 /nfs/dbraw/zinc/28/32/43/181283243.db2.gz WFWJKAIVAOGUBP-JTQLQIEISA-N 1 1 220.272 0.699 20 10 BCCDMO CCOc1cccc(C[N@H+](C)CC(N)=O)c1O ZINC000132135762 384216261 /nfs/dbraw/zinc/21/62/61/384216261.db2.gz VXSBYPABCVEPBK-UHFFFAOYSA-N 1 1 238.287 0.708 20 10 BCCDMO CCOc1cccc(C[N@@H+](C)CC(N)=O)c1O ZINC000132135762 384216267 /nfs/dbraw/zinc/21/62/67/384216267.db2.gz VXSBYPABCVEPBK-UHFFFAOYSA-N 1 1 238.287 0.708 20 10 BCCDMO O=C1NC[C@H]2C[N@@H+](Cc3ccccc3O)CC[C@H]12 ZINC000367940006 384967747 /nfs/dbraw/zinc/96/77/47/384967747.db2.gz BIYGSUGMJMJKDB-RYUDHWBXSA-N 1 1 246.310 0.960 20 10 BCCDMO COC[C@@H](O)C[NH2+]Cc1cccc(F)c1O ZINC000165165907 385076144 /nfs/dbraw/zinc/07/61/44/385076144.db2.gz ZXRZHWQZHSOMHQ-VIFPVBQESA-N 1 1 229.251 0.628 20 10 BCCDMO O=C1CC[N@@H+](Cc2cc(F)ccc2O)CCN1 ZINC000180078473 385505938 /nfs/dbraw/zinc/50/59/38/385505938.db2.gz YCSUMAZQMVPREX-UHFFFAOYSA-N 1 1 238.262 0.853 20 10 BCCDMO OCCC[N@@H+](CCO)Cc1cc(F)ccc1O ZINC000272244977 385888218 /nfs/dbraw/zinc/88/82/18/385888218.db2.gz HHNFHATWMLTLCF-UHFFFAOYSA-N 1 1 243.278 0.708 20 10 BCCDMO C[N@@H+](Cc1ccccc1O)[C@@H]1CCNC1=O ZINC000178304149 397845381 /nfs/dbraw/zinc/84/53/81/397845381.db2.gz SEGBRVYAPIWJFZ-SNVBAGLBSA-N 1 1 220.272 0.713 20 10 BCCDMO C[N@H+]1CC[C@@H](CNC(=O)Cc2ccc(N)cc2)C1 ZINC000037645565 173115500 /nfs/dbraw/zinc/11/55/00/173115500.db2.gz KRDHMTKORBNSPL-LBPRGKRZSA-N 1 1 247.342 0.879 20 10 BCCDMO CNC(=O)C[N@@H+](C)Cc1ccccc1O ZINC000168104315 173269540 /nfs/dbraw/zinc/26/95/40/173269540.db2.gz IOBHNRGGHZFRRT-UHFFFAOYSA-N 1 1 208.261 0.570 20 10 BCCDMO COc1cccc(C[NH2+]Cc2cnn(C)n2)c1O ZINC000290154201 175265743 /nfs/dbraw/zinc/26/57/43/175265743.db2.gz PGHSVLXRYPLWPK-UHFFFAOYSA-N 1 1 248.286 0.819 20 10 BCCDMO Oc1cc2c(cc1C[N@H+]1C[C@@H]3C[C@]3(O)C1)OCO2 ZINC000895645220 583700498 /nfs/dbraw/zinc/70/04/98/583700498.db2.gz AGHPTORNQLHDNP-ZANVPECISA-N 1 1 249.266 0.688 20 10 BCCDMO Oc1c(F)cccc1C[NH2+][C@@H]1CNOC1 ZINC000904424710 584880991 /nfs/dbraw/zinc/88/09/91/584880991.db2.gz KZZMUDBKWJNOFV-MRVPVSSYSA-N 1 1 212.224 0.524 20 10 BCCDMO Oc1ccccc1C[N@@H+]1CCOC[C@@H](O)C1 ZINC000824625616 587279979 /nfs/dbraw/zinc/27/99/79/587279979.db2.gz LPSHJRFCSDMYJK-NSHDSACASA-N 1 1 223.272 0.585 20 10 BCCDMO Cc1ccc(O)c(C[N@H+]2CCOC[C@H](O)C2)c1 ZINC000824626035 587280264 /nfs/dbraw/zinc/28/02/64/587280264.db2.gz TVGMBARXQWVFKU-GFCCVEGCSA-N 1 1 237.299 0.894 20 10 BCCDMO CO[C@@H]1C[N@@H+](Cc2cc(C)ccc2O)C[C@H]1O ZINC000825016604 587298791 /nfs/dbraw/zinc/29/87/91/587298791.db2.gz FTZXMNSHDTUVOZ-CHWSQXEVSA-N 1 1 237.299 0.892 20 10 BCCDMO COc1ccc(O)c(C[NH2+][C@@H](C)CN)c1 ZINC000841064173 587942148 /nfs/dbraw/zinc/94/21/48/587942148.db2.gz USIUTYDEWWGNOO-QMMMGPOBSA-N 1 1 210.277 0.838 20 10 BCCDMO CN(CCC[NH3+])Cc1cc2c(cc1O)OCO2 ZINC000843050628 588076945 /nfs/dbraw/zinc/07/69/45/588076945.db2.gz MTHAONXYUVCZSO-UHFFFAOYSA-N 1 1 238.287 0.902 20 10 BCCDMO C[N@H+](Cc1ccccc1O)C[C@H]1CNC(=O)C1 ZINC000851841914 588634225 /nfs/dbraw/zinc/63/42/25/588634225.db2.gz ZUCSMVNCCJRVGW-SNVBAGLBSA-N 1 1 234.299 0.960 20 10 BCCDMO O=C1OC[C@H]2C[N@H+](Cc3ccccc3O)C[C@@H]12 ZINC000862545630 589219864 /nfs/dbraw/zinc/21/98/64/589219864.db2.gz ZKJSEEUTBBZMCP-GHMZBOCLSA-N 1 1 233.267 0.997 20 10 BCCDMO Cc1cccc(O)c1C[N@H+]1CCOC[C@@H](O)C1 ZINC000877561360 590360226 /nfs/dbraw/zinc/36/02/26/590360226.db2.gz KPQPPZWUQVSUDG-NSHDSACASA-N 1 1 237.299 0.894 20 10 BCCDMO C[N@H+](CC(N)=O)Cc1cc(Cl)ccc1O ZINC000132595952 591721905 /nfs/dbraw/zinc/72/19/05/591721905.db2.gz SOIRFXWYUWRDLT-UHFFFAOYSA-N 1 1 228.679 0.963 20 10 BCCDMO C[N@@H+](CC(N)=O)Cc1cc(Cl)ccc1O ZINC000132595952 591721907 /nfs/dbraw/zinc/72/19/07/591721907.db2.gz SOIRFXWYUWRDLT-UHFFFAOYSA-N 1 1 228.679 0.963 20 10 BCCDMO COc1cccc(O)c1C[NH2+]CC1(N)CC1 ZINC000904450818 637417454 /nfs/dbraw/zinc/41/74/54/637417454.db2.gz SZYPVRVEGICMNN-UHFFFAOYSA-N 1 1 222.288 0.982 20 10 BCCDMO NOCCC[NH2+]Cc1cccc(F)c1O ZINC000904457075 637418812 /nfs/dbraw/zinc/41/88/12/637418812.db2.gz NMRPUKPRVYTAHQ-UHFFFAOYSA-N 1 1 214.240 0.901 20 10 BCCDMO C[N@H+]1CC[C@@H]1CNC(=O)NCc1ccccc1O ZINC000915517054 641836195 /nfs/dbraw/zinc/83/61/95/641836195.db2.gz 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