smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Fc1cc(C[N@@H+]2CCO[C@H](c3cccs3)C2)ccc1N1CCOCC1 ZINC000092594064 700438075 /nfs/dbraw/zinc/43/80/75/700438075.db2.gz WBFYNMTXJNTXKK-SFHVURJKSA-N 1 2 362.470 3.297 20 10 FGCDLO Fc1cc(C[N@H+]2CCO[C@H](c3cccs3)C2)ccc1N1CCOCC1 ZINC000092594064 700438076 /nfs/dbraw/zinc/43/80/76/700438076.db2.gz WBFYNMTXJNTXKK-SFHVURJKSA-N 1 2 362.470 3.297 20 10 FGCDLO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2cccc(Br)c2O)C1 ZINC000113343241 700570813 /nfs/dbraw/zinc/57/08/13/700570813.db2.gz WQHNUNUCGVYKER-GFCCVEGCSA-N 1 2 371.275 3.254 20 10 FGCDLO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]Cc1cccc(Br)c1O ZINC000779431875 724413211 /nfs/dbraw/zinc/41/32/11/724413211.db2.gz GSPDHSXRUFYXJJ-LRDDRELGSA-N 1 2 356.260 3.366 20 10 FGCDLO C[C@H]([NH2+]CC[C@H](C)[S@](C)=O)c1cc(Br)cc(F)c1O ZINC000756763507 722969758 /nfs/dbraw/zinc/96/97/58/722969758.db2.gz WUDSTLVADSNZHS-OWXODZSWSA-N 1 2 352.269 3.102 20 10 FGCDLO C[C@H](CC[NH2+][C@@H](C)c1cc(Br)cc(F)c1O)[S@@](C)=O ZINC000756763299 722969806 /nfs/dbraw/zinc/96/98/06/722969806.db2.gz WUDSTLVADSNZHS-BLBZPCKPSA-N 1 2 352.269 3.102 20 10 FGCDLO Cc1cc(Br)c(O)c(CN2CC[NH+](CCOC(C)C)CC2)c1 ZINC000781914006 724611633 /nfs/dbraw/zinc/61/16/33/724611633.db2.gz VRCNXSOYDCSPLP-UHFFFAOYSA-N 1 2 371.319 3.006 20 10 FGCDLO Cc1cc(Br)c(O)c(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000781909808 724611079 /nfs/dbraw/zinc/61/10/79/724611079.db2.gz QUSXGYDDSZZBLL-CZUORRHYSA-N 1 2 353.304 3.379 20 10 FGCDLO Cc1cc(Br)c(O)c(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000781909808 724611083 /nfs/dbraw/zinc/61/10/83/724611083.db2.gz QUSXGYDDSZZBLL-CZUORRHYSA-N 1 2 353.304 3.379 20 10 FGCDLO Cc1cc(Br)c([O-])c(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000781909808 724611086 /nfs/dbraw/zinc/61/10/86/724611086.db2.gz QUSXGYDDSZZBLL-CZUORRHYSA-N 1 2 353.304 3.379 20 10 FGCDLO Cc1cc(Br)c([O-])c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000781909808 724611089 /nfs/dbraw/zinc/61/10/89/724611089.db2.gz QUSXGYDDSZZBLL-CZUORRHYSA-N 1 2 353.304 3.379 20 10 FGCDLO Cc1cc(Br)c([O-])c(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000781909808 724611092 /nfs/dbraw/zinc/61/10/92/724611092.db2.gz QUSXGYDDSZZBLL-CZUORRHYSA-N 1 2 353.304 3.379 20 10 FGCDLO Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000781909808 724611094 /nfs/dbraw/zinc/61/10/94/724611094.db2.gz QUSXGYDDSZZBLL-CZUORRHYSA-N 1 2 353.304 3.379 20 10 FGCDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NCc3ccccc3O)n2)C1 ZINC000748324744 722684782 /nfs/dbraw/zinc/68/47/82/722684782.db2.gz HIPSZEKEUCNCFK-ZDUSSCGKSA-N 1 2 360.483 3.402 20 10 FGCDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NCc3ccccc3O)n2)C1 ZINC000748324744 722684784 /nfs/dbraw/zinc/68/47/84/722684784.db2.gz HIPSZEKEUCNCFK-ZDUSSCGKSA-N 1 2 360.483 3.402 20 10 FGCDLO CC[C@@H]1C[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)[C@@H](CC)CN1C(C)=O ZINC000752090600 722844967 /nfs/dbraw/zinc/84/49/67/722844967.db2.gz BCKCMJVVYWQNFI-DLBZAZTESA-N 1 2 366.889 3.470 20 10 FGCDLO CC[C@@H]1C[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)[C@@H](CC)CN1C(C)=O ZINC000752090600 722844969 /nfs/dbraw/zinc/84/49/69/722844969.db2.gz BCKCMJVVYWQNFI-DLBZAZTESA-N 1 2 366.889 3.470 20 10 FGCDLO C[C@@H]([NH2+]CC(=O)NC1CCCC1)c1cc(Br)cc(F)c1O ZINC000756706208 722968841 /nfs/dbraw/zinc/96/88/41/722968841.db2.gz NFAVDXKJUBYFKJ-SECBINFHSA-N 1 2 359.239 3.003 20 10 FGCDLO C[C@@H]([NH2+]C[C@H](CO)Cc1ccc(F)c(F)c1)c1cc(F)cc(F)c1O ZINC000790734597 723171505 /nfs/dbraw/zinc/17/15/05/723171505.db2.gz AGXIILUOBFHPLM-ZYHUDNBSSA-N 1 2 357.347 3.450 20 10 FGCDLO CN(C)c1ccc(C[N@@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)c(C(F)(F)F)c1 ZINC000792839951 723373370 /nfs/dbraw/zinc/37/33/70/723373370.db2.gz RACNMZQTHAMIES-DLBZAZTESA-N 1 2 358.404 3.151 20 10 FGCDLO CN(C)c1ccc(C[N@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)c(C(F)(F)F)c1 ZINC000792839951 723373373 /nfs/dbraw/zinc/37/33/73/723373373.db2.gz RACNMZQTHAMIES-DLBZAZTESA-N 1 2 358.404 3.151 20 10 FGCDLO C[C@@H]1OCC[C@]12C[N@H+](Cc1ccc(N(C)C)cc1C(F)(F)F)CCO2 ZINC000793232209 723414225 /nfs/dbraw/zinc/41/42/25/723414225.db2.gz USPDAKCKXYGKCM-GUYCJALGSA-N 1 2 358.404 3.151 20 10 FGCDLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1ccc(N(C)C)cc1C(F)(F)F)CCO2 ZINC000793232209 723414228 /nfs/dbraw/zinc/41/42/28/723414228.db2.gz USPDAKCKXYGKCM-GUYCJALGSA-N 1 2 358.404 3.151 20 10 FGCDLO NC(=O)[C@@H]([NH2+]Cc1cccc(Cl)c1O)c1cccc(Br)c1 ZINC000793265743 723418733 /nfs/dbraw/zinc/41/87/33/723418733.db2.gz JIUIWYUZOJCIKA-ZDUSSCGKSA-N 1 2 369.646 3.124 20 10 FGCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCO[C@H](COC(C)C)C2)c1 ZINC000770689128 723719172 /nfs/dbraw/zinc/71/91/72/723719172.db2.gz NTSGTISVRYNUED-AWEZNQCLSA-N 1 2 358.276 3.089 20 10 FGCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCO[C@H](COC(C)C)C2)c1 ZINC000770689128 723719173 /nfs/dbraw/zinc/71/91/73/723719173.db2.gz NTSGTISVRYNUED-AWEZNQCLSA-N 1 2 358.276 3.089 20 10 FGCDLO COc1c(O)c(C[NH2+]Cc2c(F)c(F)cc(F)c2F)ccc1[N+](=O)[O-] ZINC000775034133 723954592 /nfs/dbraw/zinc/95/45/92/723954592.db2.gz RTCWJCBQEAIGGG-UHFFFAOYSA-N 1 2 360.263 3.155 20 10 FGCDLO COc1c(O)c(C[N@@H+]2CCO[C@@H](C3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000775062951 723957429 /nfs/dbraw/zinc/95/74/29/723957429.db2.gz LNGSIZHDMMBKQR-MRXNPFEDSA-N 1 2 350.415 3.090 20 10 FGCDLO COc1c(O)c(C[N@H+]2CCO[C@@H](C3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000775062951 723957430 /nfs/dbraw/zinc/95/74/30/723957430.db2.gz LNGSIZHDMMBKQR-MRXNPFEDSA-N 1 2 350.415 3.090 20 10 FGCDLO COc1ccc(C[N@H+](CCO)Cc2cc(Cl)cc(F)c2O)c(OC)c1 ZINC000775695077 724026559 /nfs/dbraw/zinc/02/65/59/724026559.db2.gz GBWJGRLINIFYLU-UHFFFAOYSA-N 1 2 369.820 3.196 20 10 FGCDLO COc1ccc(C[N@@H+](CCO)Cc2cc(Cl)cc(F)c2O)c(OC)c1 ZINC000775695077 724026571 /nfs/dbraw/zinc/02/65/71/724026571.db2.gz GBWJGRLINIFYLU-UHFFFAOYSA-N 1 2 369.820 3.196 20 10 FGCDLO Cn1cc([C@H](O)C[C@@H]2CCC[N@@H+]2Cc2cc(Cl)cc(F)c2O)cn1 ZINC000775745272 724037359 /nfs/dbraw/zinc/03/73/59/724037359.db2.gz STYJISQOZZSWQA-GOEBONIOSA-N 1 2 353.825 3.006 20 10 FGCDLO Cn1cc([C@H](O)C[C@@H]2CCC[N@H+]2Cc2cc(Cl)cc(F)c2O)cn1 ZINC000775745272 724037364 /nfs/dbraw/zinc/03/73/64/724037364.db2.gz STYJISQOZZSWQA-GOEBONIOSA-N 1 2 353.825 3.006 20 10 FGCDLO C[C@H]([NH2+]Cc1cc(Br)cc(Br)c1O)C(C)(C)O ZINC000776151689 724114244 /nfs/dbraw/zinc/11/42/44/724114244.db2.gz UDTMMJRHUOBAHI-ZETCQYMHSA-N 1 2 367.081 3.166 20 10 FGCDLO OC[C@]1(C[NH2+]Cc2cccc(Br)c2O)C[C@H]1c1ccccc1 ZINC000810164487 725293844 /nfs/dbraw/zinc/29/38/44/725293844.db2.gz DWIRSSXIOPHDCW-MAUKXSAKSA-N 1 2 362.267 3.411 20 10 FGCDLO Cc1nccnc1CC[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000815651644 727089063 /nfs/dbraw/zinc/08/90/63/727089063.db2.gz ZBSGJGCTGLOALJ-VIFPVBQESA-N 1 2 354.223 3.286 20 10 FGCDLO C[C@H]([NH2+]C[C@H]1CC[C@H](C(N)=O)CC1)c1cc(Br)c(F)cc1O ZINC000817585833 727268285 /nfs/dbraw/zinc/26/82/85/727268285.db2.gz IWVOCJWQVNQXLW-DCAQKATOSA-N 1 2 373.266 3.236 20 10 FGCDLO CCCN1C[C@H](C[NH2+][C@H](C)c2cc(Br)cc(F)c2O)CC1=O ZINC000817587947 727268628 /nfs/dbraw/zinc/26/86/28/727268628.db2.gz ALPQAWYWPAMQCS-MNOVXSKESA-N 1 2 373.266 3.203 20 10 FGCDLO C[C@@H]([NH2+]Cc1nnc(C2CC2)[nH]1)c1ccc(N2CCOCC2)cc1Cl ZINC000834871345 729840140 /nfs/dbraw/zinc/84/01/40/729840140.db2.gz NNQAHHMYFFGALH-GFCCVEGCSA-N 1 2 361.877 3.023 20 10 FGCDLO CC(C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1O ZINC000840888851 730188474 /nfs/dbraw/zinc/18/84/74/730188474.db2.gz DGRWTMYLWAFCFP-DTWKUNHWSA-N 1 2 363.683 3.372 20 10 FGCDLO C[C@H]([NH2+][C@@H]1C[C@@H](C)n2ncnc21)c1cc(Br)c(F)cc1O ZINC000850498874 731364852 /nfs/dbraw/zinc/36/48/52/731364852.db2.gz FEURDYSQOUUHDE-RGNHYFCHSA-N 1 2 355.211 3.242 20 10 FGCDLO COC(=O)C1=CC[C@H]([NH2+][C@@H](C)c2cc(Br)cc(F)c2O)C1 ZINC000858471189 732218004 /nfs/dbraw/zinc/21/80/04/732218004.db2.gz BTQSGRHNXFAQNA-KWQFWETISA-N 1 2 358.207 3.206 20 10 FGCDLO C[C@H]([NH2+]CCC[C@H]1CCOC1=O)c1cc(Br)cc(F)c1O ZINC000872112852 735589852 /nfs/dbraw/zinc/58/98/52/735589852.db2.gz LFTNOOQAQJAHEJ-UWVGGRQHSA-N 1 2 360.223 3.288 20 10 FGCDLO Oc1c(F)cc(Br)cc1C[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000883051111 737515999 /nfs/dbraw/zinc/51/59/99/737515999.db2.gz OCDSWOVFUMLIEO-CYBMUJFWSA-N 1 2 374.250 3.112 20 10 FGCDLO CC(C)(C)N1C[C@H](C[NH2+]Cc2cc(Br)cc(F)c2O)CC1=O ZINC000883179669 737532294 /nfs/dbraw/zinc/53/22/94/737532294.db2.gz FZAYISYYZYLLBX-JTQLQIEISA-N 1 2 373.266 3.030 20 10 FGCDLO Oc1c(F)cc(F)cc1C[NH+]1CCC(O)(c2c(F)cccc2F)CC1 ZINC000894498153 742291812 /nfs/dbraw/zinc/29/18/12/742291812.db2.gz UYIYNHGSJZYFTE-UHFFFAOYSA-N 1 2 355.331 3.432 20 10 FGCDLO Cc1nc([C@@H]2CC[N@H+](Cc3cc(Cl)cc(Br)c3O)C2)no1 ZINC000896229212 742518081 /nfs/dbraw/zinc/51/80/81/742518081.db2.gz ARDSOHLKEOZDPA-SECBINFHSA-N 1 2 372.650 3.489 20 10 FGCDLO Cc1nc([C@@H]2CC[N@@H+](Cc3cc(Cl)cc(Br)c3O)C2)no1 ZINC000896229212 742518085 /nfs/dbraw/zinc/51/80/85/742518085.db2.gz ARDSOHLKEOZDPA-SECBINFHSA-N 1 2 372.650 3.489 20 10 FGCDLO Cn1ccc(C2CC[NH+](Cc3cc(Br)cc(F)c3O)CC2)n1 ZINC000896494949 742558878 /nfs/dbraw/zinc/55/88/78/742558878.db2.gz PBCRRCXANXOBAZ-UHFFFAOYSA-N 1 2 368.250 3.407 20 10 FGCDLO OCC1(C(F)(F)F)CC[NH+](Cc2cccc(Br)c2O)CC1 ZINC000897037700 742634357 /nfs/dbraw/zinc/63/43/57/742634357.db2.gz UCNHOLYTXTWRTQ-UHFFFAOYSA-N 1 2 368.193 3.292 20 10 FGCDLO C[C@H]([NH2+][C@H]1CCOC12CCOCC2)c1cc(Br)cc(F)c1O ZINC000903388086 743843522 /nfs/dbraw/zinc/84/35/22/743843522.db2.gz BOHJAMNZEJEIIV-HZMBPMFUSA-N 1 2 374.250 3.283 20 10 FGCDLO C[C@H]([NH2+]CC1CC2(C1)OCCO2)c1cc(Br)c(F)cc1O ZINC000927000390 759873010 /nfs/dbraw/zinc/87/30/10/759873010.db2.gz HSBUHDSKUUZAOD-VIFPVBQESA-N 1 2 360.223 3.098 20 10 FGCDLO COc1cc(Cl)cc(C[NH+]2CCN([C@H](C)c3nccs3)CC2)c1O ZINC000185610338 495642559 /nfs/dbraw/zinc/64/25/59/495642559.db2.gz VSGIGJFDBGCBRR-GFCCVEGCSA-N 1 2 367.902 3.390 20 10 FGCDLO COc1ccc(O)c(C[N@@H+]2Cc3ccccc3C[C@H]2c2nnc(C)o2)c1 ZINC000179817747 495746966 /nfs/dbraw/zinc/74/69/66/495746966.db2.gz DVUGVCGGCRRNCG-SFHVURJKSA-N 1 2 351.406 3.392 20 10 FGCDLO COc1ccc(O)c(C[N@H+]2Cc3ccccc3C[C@H]2c2nnc(C)o2)c1 ZINC000179817747 495746971 /nfs/dbraw/zinc/74/69/71/495746971.db2.gz DVUGVCGGCRRNCG-SFHVURJKSA-N 1 2 351.406 3.392 20 10 FGCDLO O=C(NCCCCNc1cccc[nH+]1)NCc1ccc(N2CCCC2)cc1 ZINC000171633012 495956530 /nfs/dbraw/zinc/95/65/30/495956530.db2.gz CWGAPRCETPCKOC-UHFFFAOYSA-N 1 2 367.497 3.373 20 10 FGCDLO Cc1ccc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c(C)[nH+]1 ZINC000152377310 496132941 /nfs/dbraw/zinc/13/29/41/496132941.db2.gz XOTJUACNOCWALD-UHFFFAOYSA-N 1 2 372.444 3.120 20 10 FGCDLO C[C@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273419989 496801356 /nfs/dbraw/zinc/80/13/56/496801356.db2.gz RVLRNMJBVHFGLU-AWEZNQCLSA-N 1 2 356.426 3.011 20 10 FGCDLO CC[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1O)c1nnc2n1CCCCC2 ZINC000273563001 496841264 /nfs/dbraw/zinc/84/12/64/496841264.db2.gz IRIQJXRBJZKQKP-DOMZBBRYSA-N 1 2 359.430 3.420 20 10 FGCDLO CC(=O)N1CC[NH+](Cc2cccc(NCc3cccc(Cl)c3O)c2)CC1 ZINC000188766417 496902112 /nfs/dbraw/zinc/90/21/12/496902112.db2.gz UYYATGPADAIPKI-UHFFFAOYSA-N 1 2 373.884 3.322 20 10 FGCDLO COCCOCCOCCC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1O ZINC000274667193 497141857 /nfs/dbraw/zinc/14/18/57/497141857.db2.gz OKAZVQUCZRAHBY-LBPRGKRZSA-N 1 2 366.285 3.419 20 10 FGCDLO CC[N@H+](Cc1ncnn1C(C)C)Cc1cc(Br)ccc1O ZINC000279918921 497588378 /nfs/dbraw/zinc/58/83/78/497588378.db2.gz FXGVKAHQUZXERH-UHFFFAOYSA-N 1 2 353.264 3.349 20 10 FGCDLO CC[N@@H+](Cc1ncnn1C(C)C)Cc1cc(Br)ccc1O ZINC000279918921 497588381 /nfs/dbraw/zinc/58/83/81/497588381.db2.gz FXGVKAHQUZXERH-UHFFFAOYSA-N 1 2 353.264 3.349 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)C[C@@H](O)CC(C)(C)C)CC2)cc1 ZINC000365861325 498675168 /nfs/dbraw/zinc/67/51/68/498675168.db2.gz MNHUJUYNXAELCM-GOSISDBHSA-N 1 2 362.514 3.310 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)c3cc(C4CC4)n[nH]3)CC2)cc1 ZINC000363707977 498953551 /nfs/dbraw/zinc/95/35/51/498953551.db2.gz HWQOSQRRHVXTQD-UHFFFAOYSA-N 1 2 354.454 3.037 20 10 FGCDLO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000370542036 499230118 /nfs/dbraw/zinc/23/01/18/499230118.db2.gz MWLVULTWORWFRK-SFHVURJKSA-N 1 2 352.482 3.479 20 10 FGCDLO CC[C@@H]([NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1)c1cccc(Cl)c1O ZINC000367896785 499242997 /nfs/dbraw/zinc/24/29/97/499242997.db2.gz PDQOCXWQBDAFBG-CXAGYDPISA-N 1 2 373.884 3.464 20 10 FGCDLO C[C@@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370711142 499246915 /nfs/dbraw/zinc/24/69/15/499246915.db2.gz ODZNJYSNHBSSAA-DYVFJYSZSA-N 1 2 372.340 3.157 20 10 FGCDLO C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370711142 499246917 /nfs/dbraw/zinc/24/69/17/499246917.db2.gz ODZNJYSNHBSSAA-DYVFJYSZSA-N 1 2 372.340 3.157 20 10 FGCDLO CCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000371254906 499302818 /nfs/dbraw/zinc/30/28/18/499302818.db2.gz AYQOIIVLTSLDPE-INIZCTEOSA-N 1 2 356.470 3.396 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)[C@H]3CCC(=O)C[C@H]3C)CC2)cc1 ZINC000378462750 499519983 /nfs/dbraw/zinc/51/99/83/499519983.db2.gz OGQMCCRJLKEHHX-QRWLVFNGSA-N 1 2 358.482 3.128 20 10 FGCDLO Oc1c(Br)cccc1C[NH2+][C@H]1CCO[C@@]2(CCSC2)C1 ZINC000151343125 704920073 /nfs/dbraw/zinc/92/00/73/704920073.db2.gz BRRBOVWMZUWXTE-WFASDCNBSA-N 1 2 358.301 3.299 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCN(c3ccc(O)cc3)CC2)c1O ZINC000177226576 705614137 /nfs/dbraw/zinc/61/41/37/705614137.db2.gz CMQPJYLSTWDLKO-UHFFFAOYSA-N 1 2 360.841 3.276 20 10 FGCDLO C[C@H]([NH2+][C@H]1CCn2ccnc2C1)c1cc(Br)c(F)cc1O ZINC000779064263 724386573 /nfs/dbraw/zinc/38/65/73/724386573.db2.gz HXFCXOCRJZDOTA-UWVGGRQHSA-N 1 2 354.223 3.156 20 10 FGCDLO Oc1c(Cl)cc(Cl)cc1CN1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000768252235 723651956 /nfs/dbraw/zinc/65/19/56/723651956.db2.gz ZANGHYGXZJMZHM-HNNXBMFYSA-N 1 2 359.297 3.386 20 10 FGCDLO Oc1c(Cl)cc(Cl)cc1CN1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000768252235 723651957 /nfs/dbraw/zinc/65/19/57/723651957.db2.gz ZANGHYGXZJMZHM-HNNXBMFYSA-N 1 2 359.297 3.386 20 10 FGCDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3cc(C)cc(Br)c3O)[C@H]2C1 ZINC000781913172 724611677 /nfs/dbraw/zinc/61/16/77/724611677.db2.gz ZWQRHYSSXGNPKK-KBMXLJTQSA-N 1 2 370.287 3.231 20 10 FGCDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3cc(C)cc(Br)c3O)[C@H]2C1 ZINC000781913172 724611681 /nfs/dbraw/zinc/61/16/81/724611681.db2.gz ZWQRHYSSXGNPKK-KBMXLJTQSA-N 1 2 370.287 3.231 20 10 FGCDLO Cc1cc(Br)c(O)c(C[N@H+](C)Cc2nnc3ccccn32)c1 ZINC000781906100 724610557 /nfs/dbraw/zinc/61/05/57/724610557.db2.gz TXPCPYBMPKHAIQ-UHFFFAOYSA-N 1 2 361.243 3.138 20 10 FGCDLO Cc1cc(Br)c(O)c(C[N@@H+](C)Cc2nnc3ccccn32)c1 ZINC000781906100 724610561 /nfs/dbraw/zinc/61/05/61/724610561.db2.gz TXPCPYBMPKHAIQ-UHFFFAOYSA-N 1 2 361.243 3.138 20 10 FGCDLO Cc1ccc(C(=O)NCC[NH2+][C@@H](C)c2cc(F)cc(F)c2O)cc1F ZINC000756395183 722963949 /nfs/dbraw/zinc/96/39/49/722963949.db2.gz HRGRXZTWESDFNS-NSHDSACASA-N 1 2 352.356 3.199 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)c1O ZINC000790384407 723134186 /nfs/dbraw/zinc/13/41/86/723134186.db2.gz HGVUQOMFNIGVHO-RRUGBERISA-N 1 2 353.846 3.017 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)c1O ZINC000790384407 723134187 /nfs/dbraw/zinc/13/41/87/723134187.db2.gz HGVUQOMFNIGVHO-RRUGBERISA-N 1 2 353.846 3.017 20 10 FGCDLO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2Cc2c(O)ccc(Cl)c2F)C[C@H](C)O1 ZINC000792167323 723317169 /nfs/dbraw/zinc/31/71/69/723317169.db2.gz NFPFASKWZZIUOJ-HZSPNIEDSA-N 1 2 356.869 3.258 20 10 FGCDLO C[C@@H]1CN(C[C@H]2CCC[N@H+]2Cc2c(O)ccc(Cl)c2F)C[C@H](C)O1 ZINC000792167323 723317170 /nfs/dbraw/zinc/31/71/70/723317170.db2.gz NFPFASKWZZIUOJ-HZSPNIEDSA-N 1 2 356.869 3.258 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)c1O ZINC000796559842 723643723 /nfs/dbraw/zinc/64/37/23/723643723.db2.gz DFDAECZCUDXADD-GOSISDBHSA-N 1 2 353.846 3.018 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)c1O ZINC000796559842 723643726 /nfs/dbraw/zinc/64/37/26/723643726.db2.gz DFDAECZCUDXADD-GOSISDBHSA-N 1 2 353.846 3.018 20 10 FGCDLO CC[C@H]1C[N@H+](Cc2cccc(Br)c2O)CCN1CC(F)F ZINC000769513292 723688367 /nfs/dbraw/zinc/68/83/67/723688367.db2.gz AXXFBZJDYXZNEF-LBPRGKRZSA-N 1 2 363.246 3.316 20 10 FGCDLO CC[C@H]1C[N@@H+](Cc2cccc(Br)c2O)CCN1CC(F)F ZINC000769513292 723688368 /nfs/dbraw/zinc/68/83/68/723688368.db2.gz AXXFBZJDYXZNEF-LBPRGKRZSA-N 1 2 363.246 3.316 20 10 FGCDLO CC(C)[N@H+](CCO)Cc1cc(Br)cc(Br)c1O ZINC000775643737 724014011 /nfs/dbraw/zinc/01/40/11/724014011.db2.gz UGNMMQDQFKUWIV-UHFFFAOYSA-N 1 2 367.081 3.120 20 10 FGCDLO CC(C)[N@@H+](CCO)Cc1cc(Br)cc(Br)c1O ZINC000775643737 724014017 /nfs/dbraw/zinc/01/40/17/724014017.db2.gz UGNMMQDQFKUWIV-UHFFFAOYSA-N 1 2 367.081 3.120 20 10 FGCDLO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1cc(Cl)cc(F)c1O ZINC000775664594 724018934 /nfs/dbraw/zinc/01/89/34/724018934.db2.gz NFVPWNSDNOXEKU-SNVBAGLBSA-N 1 2 372.849 3.025 20 10 FGCDLO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1cc(Cl)cc(F)c1O ZINC000775664594 724018939 /nfs/dbraw/zinc/01/89/39/724018939.db2.gz NFVPWNSDNOXEKU-SNVBAGLBSA-N 1 2 372.849 3.025 20 10 FGCDLO C[C@H]([NH2+]CCCn1cc(Br)cn1)c1cc(F)cc(F)c1O ZINC000806659773 725139824 /nfs/dbraw/zinc/13/98/24/725139824.db2.gz DZQTZXBRMOOXSR-VIFPVBQESA-N 1 2 360.202 3.370 20 10 FGCDLO CC(C)C[C@H](C(=O)NCc1cccc(Br)c1O)n1cc[nH+]c1 ZINC000822459031 729177231 /nfs/dbraw/zinc/17/72/31/729177231.db2.gz NPEBITDLQFPMJD-CQSZACIVSA-N 1 2 366.259 3.255 20 10 FGCDLO Cc1cc(O)c(C[NH+]2CCN(C(=O)c3ccsc3)CC2)cc1Cl ZINC000824601736 729349658 /nfs/dbraw/zinc/34/96/58/729349658.db2.gz MUGUTJHFLHLGHQ-UHFFFAOYSA-N 1 2 350.871 3.374 20 10 FGCDLO CC[C@@H]([NH2+]Cc1cc(Br)cc(Br)c1O)[C@@H](C)O ZINC000824921378 729365232 /nfs/dbraw/zinc/36/52/32/729365232.db2.gz KQFQMZMEUJXPSX-RDDDGLTNSA-N 1 2 367.081 3.166 20 10 FGCDLO Oc1cc(Br)ccc1C[NH+]1CCN(c2ccnc(F)c2)CC1 ZINC000826062407 729403957 /nfs/dbraw/zinc/40/39/57/729403957.db2.gz RBUACFAAOFNEAU-UHFFFAOYSA-N 1 2 366.234 3.011 20 10 FGCDLO Cc1cc(O)c(C[N@@H+]2CCc3nnc(N4CCCC4)cc3C2)c(Cl)c1 ZINC000828100361 729439828 /nfs/dbraw/zinc/43/98/28/729439828.db2.gz MLZRMCXRFVOVDO-UHFFFAOYSA-N 1 2 358.873 3.303 20 10 FGCDLO Cc1cc(O)c(C[N@H+]2CCc3nnc(N4CCCC4)cc3C2)c(Cl)c1 ZINC000828100361 729439829 /nfs/dbraw/zinc/43/98/29/729439829.db2.gz MLZRMCXRFVOVDO-UHFFFAOYSA-N 1 2 358.873 3.303 20 10 FGCDLO COc1cc(Br)cc(C[N@@H+]2CCO[C@H](C3CCC3)C2)c1O ZINC000840954614 730196516 /nfs/dbraw/zinc/19/65/16/730196516.db2.gz LGEARPOJLBPINH-HNNXBMFYSA-N 1 2 356.260 3.164 20 10 FGCDLO COc1cc(Br)cc(C[N@H+]2CCO[C@H](C3CCC3)C2)c1O ZINC000840954614 730196517 /nfs/dbraw/zinc/19/65/17/730196517.db2.gz LGEARPOJLBPINH-HNNXBMFYSA-N 1 2 356.260 3.164 20 10 FGCDLO C[C@@H]([NH2+][C@H]1CCN(C(C)(C)C)C1=O)c1cc(Br)cc(F)c1O ZINC000842885834 730553826 /nfs/dbraw/zinc/55/38/26/730553826.db2.gz QBRLPZNOFNECTJ-RNCFNFMXSA-N 1 2 373.266 3.344 20 10 FGCDLO COc1ccc(N(C)CC[N@H+](C)Cc2ncc(Br)s2)cc1 ZINC000844402978 730713508 /nfs/dbraw/zinc/71/35/08/730713508.db2.gz YPHAQDGWOLTLJA-UHFFFAOYSA-N 1 2 370.316 3.482 20 10 FGCDLO COc1ccc(N(C)CC[N@@H+](C)Cc2ncc(Br)s2)cc1 ZINC000844402978 730713509 /nfs/dbraw/zinc/71/35/09/730713509.db2.gz YPHAQDGWOLTLJA-UHFFFAOYSA-N 1 2 370.316 3.482 20 10 FGCDLO COc1ccc(N(C)CC[N@H+](C)Cc2c(Cl)nc(Cl)n2C)cc1 ZINC000846051774 730923974 /nfs/dbraw/zinc/92/39/74/730923974.db2.gz IITRXJQPIUVJPR-UHFFFAOYSA-N 1 2 357.285 3.304 20 10 FGCDLO COc1ccc(N(C)CC[N@@H+](C)Cc2c(Cl)nc(Cl)n2C)cc1 ZINC000846051774 730923976 /nfs/dbraw/zinc/92/39/76/730923976.db2.gz IITRXJQPIUVJPR-UHFFFAOYSA-N 1 2 357.285 3.304 20 10 FGCDLO CN(C)c1cc(F)c(C[N@H+](C)Cc2ccc([S@](C)=O)cc2)cc1F ZINC000862249127 732797837 /nfs/dbraw/zinc/79/78/37/732797837.db2.gz HDCRHACKSXENGA-DEOSSOPVSA-N 1 2 352.450 3.400 20 10 FGCDLO CN(C)c1cc(F)c(C[N@@H+](C)Cc2ccc([S@](C)=O)cc2)cc1F ZINC000862249127 732797839 /nfs/dbraw/zinc/79/78/39/732797839.db2.gz HDCRHACKSXENGA-DEOSSOPVSA-N 1 2 352.450 3.400 20 10 FGCDLO CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000883002777 737510501 /nfs/dbraw/zinc/51/05/01/737510501.db2.gz OOGGMCPUZBYDEL-MFKMUULPSA-N 1 2 373.266 3.030 20 10 FGCDLO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000883018551 737512284 /nfs/dbraw/zinc/51/22/84/737512284.db2.gz HNYMRHUEUOSDHD-SECBINFHSA-N 1 2 370.266 3.365 20 10 FGCDLO C[C@@H](CO[C@@H]1CCOC1)[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000883034099 737514388 /nfs/dbraw/zinc/51/43/88/737514388.db2.gz LSKSKVUHRWLCQB-JOYOIKCWSA-N 1 2 364.667 3.092 20 10 FGCDLO C[N@H+](CC(F)F)C1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000896713593 742587602 /nfs/dbraw/zinc/58/76/02/742587602.db2.gz HEOOZTGDMUGSOX-UHFFFAOYSA-N 1 2 370.421 3.114 20 10 FGCDLO C[N@@H+](CC(F)F)C1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000896713593 742587604 /nfs/dbraw/zinc/58/76/04/742587604.db2.gz HEOOZTGDMUGSOX-UHFFFAOYSA-N 1 2 370.421 3.114 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)N[C@@H](C)c3cccnc3)CC2)cc1 ZINC000066175627 494283857 /nfs/dbraw/zinc/28/38/57/494283857.db2.gz DODYDUPZZRDJBJ-INIZCTEOSA-N 1 2 368.481 3.462 20 10 FGCDLO O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000108791057 494786841 /nfs/dbraw/zinc/78/68/41/494786841.db2.gz WRWOWSGZQNILLP-MBNRZODZSA-N 1 2 366.465 3.013 20 10 FGCDLO O=C(c1cccs1)N1CCC[N@@H+](Cc2cccc(Cl)c2O)CC1 ZINC000180239851 495920626 /nfs/dbraw/zinc/92/06/26/495920626.db2.gz JIYRXLXKJVFEGA-UHFFFAOYSA-N 1 2 350.871 3.455 20 10 FGCDLO O=C(c1cccs1)N1CCC[N@H+](Cc2cccc(Cl)c2O)CC1 ZINC000180239851 495920629 /nfs/dbraw/zinc/92/06/29/495920629.db2.gz JIYRXLXKJVFEGA-UHFFFAOYSA-N 1 2 350.871 3.455 20 10 FGCDLO C[C@H]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000177769062 496188653 /nfs/dbraw/zinc/18/86/53/496188653.db2.gz GGHVZWVOTVAEGS-PXNSSMCTSA-N 1 2 367.497 3.276 20 10 FGCDLO C[C@@H]([NH2+][C@@H](CN1CCOCC1)c1ccccc1)c1cc([N+](=O)[O-])ccc1O ZINC000273387162 496791195 /nfs/dbraw/zinc/79/11/95/496791195.db2.gz JWPMHTVQOLFNIA-BEFAXECRSA-N 1 2 371.437 3.025 20 10 FGCDLO Oc1c(Cl)cc(Cl)cc1C[NH2+]Cc1cccc(N2CCOCC2)n1 ZINC000274775801 497163303 /nfs/dbraw/zinc/16/33/03/497163303.db2.gz JQDLNBBHHNZSDQ-UHFFFAOYSA-N 1 2 368.264 3.220 20 10 FGCDLO COc1c(O)c(C[NH+]2CCC(Oc3ccncc3C)CC2)ccc1[N+](=O)[O-] ZINC000278637946 497176166 /nfs/dbraw/zinc/17/61/66/497176166.db2.gz ISTZDGSDSAITSW-UHFFFAOYSA-N 1 2 373.409 3.056 20 10 FGCDLO Fc1cc(C[NH2+][C@@H](c2nnc[nH]2)C2CCCCC2)ccc1N1CCOCC1 ZINC000292079479 497869662 /nfs/dbraw/zinc/86/96/62/497869662.db2.gz HZSQTGPZDGZQBL-LJQANCHMSA-N 1 2 373.476 3.192 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)[C@@H]3CCO[C@H]3C(C)C)CC2)cc1 ZINC000365037736 498267185 /nfs/dbraw/zinc/26/71/85/498267185.db2.gz BEYLVVHDRTWONJ-UXHICEINSA-N 1 2 360.498 3.184 20 10 FGCDLO CSCc1cnc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)s1 ZINC000294940964 498856809 /nfs/dbraw/zinc/85/68/09/498856809.db2.gz PKRBABGCPRHTCG-UHFFFAOYSA-N 1 2 363.552 3.475 20 10 FGCDLO CSCc1cnc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)s1 ZINC000294940964 498856818 /nfs/dbraw/zinc/85/68/18/498856818.db2.gz PKRBABGCPRHTCG-UHFFFAOYSA-N 1 2 363.552 3.475 20 10 FGCDLO CC[C@@H]([NH2+]C1CCN(C(=O)CCOC)CC1)c1cccc(Cl)c1O ZINC000287845821 498880946 /nfs/dbraw/zinc/88/09/46/498880946.db2.gz WLZHHDZVZDNTSS-MRXNPFEDSA-N 1 2 354.878 3.114 20 10 FGCDLO CN(C)c1ccc(CN(C(=O)NCc2cn3ccccc3[nH+]2)C2CC2)cc1 ZINC000298883129 498907528 /nfs/dbraw/zinc/90/75/28/498907528.db2.gz RBALPTIPFLVEDX-UHFFFAOYSA-N 1 2 363.465 3.275 20 10 FGCDLO Fc1ccccc1-c1nc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)no1 ZINC000363665479 498932453 /nfs/dbraw/zinc/93/24/53/498932453.db2.gz NPUIDDKRMHWQEI-UHFFFAOYSA-N 1 2 368.412 3.002 20 10 FGCDLO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H]2c2nccs2)cc1 ZINC000370782635 499254129 /nfs/dbraw/zinc/25/41/29/499254129.db2.gz LQKYOPUWZMYTGI-KRWDZBQOSA-N 1 2 358.511 3.005 20 10 FGCDLO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCC[C@H]2c2nccs2)cc1 ZINC000370782635 499254131 /nfs/dbraw/zinc/25/41/31/499254131.db2.gz LQKYOPUWZMYTGI-KRWDZBQOSA-N 1 2 358.511 3.005 20 10 FGCDLO CCn1nccc1/C=C/C(=O)N(C)C1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000371033024 499282266 /nfs/dbraw/zinc/28/22/66/499282266.db2.gz LWFQUQDUOMOTEP-JXMROGBWSA-N 1 2 368.481 3.052 20 10 FGCDLO Cc1ncsc1C(=O)NC1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000378440623 499517191 /nfs/dbraw/zinc/51/71/91/499517191.db2.gz CUIGHCOEHJUFKU-UHFFFAOYSA-N 1 2 365.886 3.205 20 10 FGCDLO Oc1c(Cl)cccc1C[NH2+][C@@H]1CCCN(Cc2noc(C3CC3)n2)C1 ZINC000378460756 499519972 /nfs/dbraw/zinc/51/99/72/499519972.db2.gz XFKVLOIGTDQJBQ-CQSZACIVSA-N 1 2 362.861 3.060 20 10 FGCDLO C[C@H]([NH2+]C1CCN(Cc2cscn2)CC1)c1ccc(F)c(F)c1O ZINC000375587214 499535397 /nfs/dbraw/zinc/53/53/97/499535397.db2.gz ZYXXAAGGCBHHQL-NSHDSACASA-N 1 2 353.438 3.442 20 10 FGCDLO C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)Cc2ccc(N)cc2)CC1 ZINC000237422479 713591394 /nfs/dbraw/zinc/59/13/94/713591394.db2.gz RBWDHENQUVROKC-OAHLLOKOSA-N 1 2 357.885 3.370 20 10 FGCDLO CCOC[C@H](C)[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000779199284 724399597 /nfs/dbraw/zinc/39/95/97/724399597.db2.gz XFTUVRHBFRUSKG-QMMMGPOBSA-N 1 2 367.081 3.432 20 10 FGCDLO O=C(/C=C/c1ccc(O)c(O)c1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000779499289 724416365 /nfs/dbraw/zinc/41/63/65/724416365.db2.gz NTGBIAZDNLIMII-FNORWQNLSA-N 1 2 359.451 3.192 20 10 FGCDLO O=C(NCC(F)(F)F)C1CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000775654753 724016974 /nfs/dbraw/zinc/01/69/74/724016974.db2.gz OLXXVYMCOGCZPP-UHFFFAOYSA-N 1 2 368.758 3.075 20 10 FGCDLO COC1CCN(C(C)(C)C[NH2+]Cc2cccc(Br)c2O)CC1 ZINC000730817052 722471250 /nfs/dbraw/zinc/47/12/50/722471250.db2.gz FKQZQDUQGPIUBH-UHFFFAOYSA-N 1 2 371.319 3.134 20 10 FGCDLO Fc1cc(C[NH2+]Cc2occc2Br)ccc1N1CCOCC1 ZINC000735323862 722515436 /nfs/dbraw/zinc/51/54/36/722515436.db2.gz DXGSEKJPJKWNCE-UHFFFAOYSA-N 1 2 369.234 3.308 20 10 FGCDLO CCOC(=O)[C@H](CC1CC1)[NH2+]Cc1cc(Br)cc(C)c1O ZINC000753572211 722905112 /nfs/dbraw/zinc/90/51/12/722905112.db2.gz RTPBGZKXQTZCIS-AWEZNQCLSA-N 1 2 356.260 3.285 20 10 FGCDLO CNC(=O)C1CCC([NH2+][C@H](C)c2cc(Br)cc(F)c2O)CC1 ZINC000756489629 722965488 /nfs/dbraw/zinc/96/54/88/722965488.db2.gz QIDRQALJTPZLOI-GRZMOONWSA-N 1 2 373.266 3.249 20 10 FGCDLO C[C@@H]([NH2+][C@H]1CCN(CC2CC2)C1)c1cc(Br)cc(F)c1O ZINC000756553992 722966741 /nfs/dbraw/zinc/96/67/41/722966741.db2.gz NOYVRNHNQIKIJA-MFKMUULPSA-N 1 2 357.267 3.429 20 10 FGCDLO COc1cc(NCC[NH2+][C@@H](C)c2cc(F)cc(F)c2O)cc(OC)c1 ZINC000756771035 722969851 /nfs/dbraw/zinc/96/98/51/722969851.db2.gz YVIPNZYNWMXAMZ-NSHDSACASA-N 1 2 352.381 3.450 20 10 FGCDLO CC(C)C(=O)NCCC[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000756775921 722969913 /nfs/dbraw/zinc/96/99/13/722969913.db2.gz NBXYSMPXUFKOIF-SNVBAGLBSA-N 1 2 361.255 3.107 20 10 FGCDLO CCc1nnc([C@H](C)[NH2+][C@H](C)c2cc(Br)c(F)cc2O)[nH]1 ZINC000756779208 722969996 /nfs/dbraw/zinc/96/99/96/722969996.db2.gz RAOQPSPQKXRYNN-SFYZADRCSA-N 1 2 357.227 3.386 20 10 FGCDLO OC[C@@H](C[NH2+]Cc1cc(Cl)cc(F)c1O)Cc1ccc(F)c(F)c1 ZINC000792193087 723320110 /nfs/dbraw/zinc/32/01/10/723320110.db2.gz QKEFKMFLNUIZKD-LLVKDONJSA-N 1 2 359.775 3.404 20 10 FGCDLO Cc1cc(Br)c(O)c(C[N@@H+]2C[C@]3(CCOC3)OC(C)(C)C2)c1 ZINC000793365782 723430750 /nfs/dbraw/zinc/43/07/50/723430750.db2.gz OFBSPGKNWPNEHO-KRWDZBQOSA-N 1 2 370.287 3.233 20 10 FGCDLO Cc1cc(Br)c(O)c(C[N@H+]2C[C@]3(CCOC3)OC(C)(C)C2)c1 ZINC000793365782 723430754 /nfs/dbraw/zinc/43/07/54/723430754.db2.gz OFBSPGKNWPNEHO-KRWDZBQOSA-N 1 2 370.287 3.233 20 10 FGCDLO C[C@H]([NH2+][C@H](C(N)=O)c1cccc(Br)c1)c1ccc(F)cc1O ZINC000794826556 723547901 /nfs/dbraw/zinc/54/79/01/723547901.db2.gz CJUDXMJUUYMREO-VFZGTOFNSA-N 1 2 367.218 3.171 20 10 FGCDLO COc1cc(O)c(C[N@H+](C)Cc2nc(-c3cccs3)no2)cc1OC ZINC000795635501 723603436 /nfs/dbraw/zinc/60/34/36/723603436.db2.gz LJDSIXNTFSNMFP-UHFFFAOYSA-N 1 2 361.423 3.153 20 10 FGCDLO COc1cc(O)c(C[N@@H+](C)Cc2nc(-c3cccs3)no2)cc1OC ZINC000795635501 723603438 /nfs/dbraw/zinc/60/34/38/723603438.db2.gz LJDSIXNTFSNMFP-UHFFFAOYSA-N 1 2 361.423 3.153 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)c1O ZINC000796606038 723646240 /nfs/dbraw/zinc/64/62/40/723646240.db2.gz ATONETWDKREANJ-SGTLLEGYSA-N 1 2 353.846 3.018 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)c1O ZINC000796606038 723646241 /nfs/dbraw/zinc/64/62/41/723646241.db2.gz ATONETWDKREANJ-SGTLLEGYSA-N 1 2 353.846 3.018 20 10 FGCDLO Oc1cc2c(cc1C[N@@H+]1CCO[C@@H](c3ccccc3Cl)C1)[C@@H](O)CO2 ZINC000768452194 723657883 /nfs/dbraw/zinc/65/78/83/723657883.db2.gz PSPTUSSXZKXKFM-PKOBYXMFSA-N 1 2 361.825 3.045 20 10 FGCDLO Oc1cc2c(cc1C[N@H+]1CCO[C@@H](c3ccccc3Cl)C1)[C@@H](O)CO2 ZINC000768452194 723657885 /nfs/dbraw/zinc/65/78/85/723657885.db2.gz PSPTUSSXZKXKFM-PKOBYXMFSA-N 1 2 361.825 3.045 20 10 FGCDLO Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3cc(F)cc(F)c3O)C2)n(C)n1 ZINC000774451585 723896003 /nfs/dbraw/zinc/89/60/03/723896003.db2.gz AXYRCJIMPSBRCS-JSGCOSHPSA-N 1 2 350.413 3.032 20 10 FGCDLO C[C@]1([NH2+]Cc2cc(Br)cc(Br)c2O)CCOC1 ZINC000776252767 724124192 /nfs/dbraw/zinc/12/41/92/724124192.db2.gz PKYDDDKNQRDDLU-LBPRGKRZSA-N 1 2 365.065 3.186 20 10 FGCDLO O=C1C[C@H]([NH2+]Cc2cc(Cl)cc(F)c2O)CN1c1c(F)cccc1F ZINC000776255490 724124407 /nfs/dbraw/zinc/12/44/07/724124407.db2.gz FLWHYFYUWUEBHQ-NSHDSACASA-N 1 2 370.758 3.358 20 10 FGCDLO C[N@H+](Cc1cc(Cl)cc(F)c1O)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789597365 725137980 /nfs/dbraw/zinc/13/79/80/725137980.db2.gz RPUKUUWXQCYWTR-QGZVFWFLSA-N 1 2 362.832 3.418 20 10 FGCDLO C[N@@H+](Cc1cc(Cl)cc(F)c1O)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789597365 725137985 /nfs/dbraw/zinc/13/79/85/725137985.db2.gz RPUKUUWXQCYWTR-QGZVFWFLSA-N 1 2 362.832 3.418 20 10 FGCDLO O=C(NC1CC1)OC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)cc(F)c1O ZINC000811510983 725371223 /nfs/dbraw/zinc/37/12/23/725371223.db2.gz BHZFFRIMOHYZOM-AWEZNQCLSA-N 1 2 356.825 3.428 20 10 FGCDLO O=C(NC1CC1)OC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(F)c1O ZINC000811510983 725371225 /nfs/dbraw/zinc/37/12/25/725371225.db2.gz BHZFFRIMOHYZOM-AWEZNQCLSA-N 1 2 356.825 3.428 20 10 FGCDLO O=C(NC1CC1)OC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816615063 727180846 /nfs/dbraw/zinc/18/08/46/727180846.db2.gz MCVXPCTYZBVDOH-ZDUSSCGKSA-N 1 2 356.825 3.428 20 10 FGCDLO O=C(NC1CC1)OC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816615063 727180848 /nfs/dbraw/zinc/18/08/48/727180848.db2.gz MCVXPCTYZBVDOH-ZDUSSCGKSA-N 1 2 356.825 3.428 20 10 FGCDLO C[C@H](N[C@H]1C[NH2+]CCC1(F)F)c1cc(Br)cc(Cl)c1O ZINC000817980238 727290464 /nfs/dbraw/zinc/29/04/64/727290464.db2.gz KCDBUMSYIWMBRI-CPCISQLKSA-N 1 2 369.637 3.456 20 10 FGCDLO Cc1cc(O)c(C[NH+]2CCN(C(=O)c3ccc(O)cc3)CC2)cc1Cl ZINC000824592069 729349465 /nfs/dbraw/zinc/34/94/65/729349465.db2.gz DMKBPSCDNQDINI-UHFFFAOYSA-N 1 2 360.841 3.018 20 10 FGCDLO CC[C@@H]([NH2+]Cc1cc(Br)cc(Br)c1O)[C@H](C)O ZINC000824921381 729365220 /nfs/dbraw/zinc/36/52/20/729365220.db2.gz KQFQMZMEUJXPSX-WRWORJQWSA-N 1 2 367.081 3.166 20 10 FGCDLO Cc1cc(C(=O)C[N@H+](C)C[C@H]2CCCO2)c(C)n1-c1ccc(Cl)cn1 ZINC000827434904 729430166 /nfs/dbraw/zinc/43/01/66/729430166.db2.gz NWAQKMRTAUDFTO-MRXNPFEDSA-N 1 2 361.873 3.436 20 10 FGCDLO Cc1cc(C(=O)C[N@@H+](C)C[C@H]2CCCO2)c(C)n1-c1ccc(Cl)cn1 ZINC000827434904 729430167 /nfs/dbraw/zinc/43/01/67/729430167.db2.gz NWAQKMRTAUDFTO-MRXNPFEDSA-N 1 2 361.873 3.436 20 10 FGCDLO Cc1cc(C(=O)C[N@@H+]2CCCO[C@H](C)C2)c(C)n1-c1ccc(Cl)cn1 ZINC000827655046 729432979 /nfs/dbraw/zinc/43/29/79/729432979.db2.gz KNEHTMJLRKYJKW-CQSZACIVSA-N 1 2 361.873 3.436 20 10 FGCDLO Cc1cc(C(=O)C[N@H+]2CCCO[C@H](C)C2)c(C)n1-c1ccc(Cl)cn1 ZINC000827655046 729432980 /nfs/dbraw/zinc/43/29/80/729432980.db2.gz KNEHTMJLRKYJKW-CQSZACIVSA-N 1 2 361.873 3.436 20 10 FGCDLO C[C@@H]([NH2+][C@@H](C)Cc1cnn(C)c1)c1cc(Br)cc(F)c1O ZINC000834896684 729844761 /nfs/dbraw/zinc/84/47/61/729844761.db2.gz MPNPBXFAENDYSZ-VHSXEESVSA-N 1 2 356.239 3.309 20 10 FGCDLO CN(C)c1ccc(/C=C\C[NH+]2CCN(CC(F)(F)C(F)F)CC2)cc1 ZINC000835026908 729850716 /nfs/dbraw/zinc/85/07/16/729850716.db2.gz AMTCUPNNVVLUJN-ARJAWSKDSA-N 1 2 359.411 3.284 20 10 FGCDLO CCS[C@H](C)c1noc(C[N@H+](C)CCN(C)c2ccc(OC)cc2)n1 ZINC000844401761 730713017 /nfs/dbraw/zinc/71/30/17/730713017.db2.gz PXGYEHIAOGRSPA-CQSZACIVSA-N 1 2 364.515 3.461 20 10 FGCDLO CCS[C@H](C)c1noc(C[N@@H+](C)CCN(C)c2ccc(OC)cc2)n1 ZINC000844401761 730713018 /nfs/dbraw/zinc/71/30/18/730713018.db2.gz PXGYEHIAOGRSPA-CQSZACIVSA-N 1 2 364.515 3.461 20 10 FGCDLO C[C@H]([NH2+]CCO[C@@H]1CC1(F)F)c1cc(Br)cc(F)c1O ZINC000850521396 731369097 /nfs/dbraw/zinc/36/90/97/731369097.db2.gz UHGMGLSHKCBBNO-WRWORJQWSA-N 1 2 354.166 3.369 20 10 FGCDLO C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000854233059 731807174 /nfs/dbraw/zinc/80/71/74/731807174.db2.gz WBDGEFUVDXQPSK-YUMQZZPRSA-N 1 2 366.097 3.176 20 10 FGCDLO C[C@@H]([NH2+]CC[C@@H](O)COCc1ccccc1)c1cc(F)cc(F)c1O ZINC000858594838 732229833 /nfs/dbraw/zinc/22/98/33/732229833.db2.gz HRIATWXBNPMTGA-CZUORRHYSA-N 1 2 351.393 3.289 20 10 FGCDLO C[C@H]([NH2+][C@@H](C)[C@H](O)C(F)(F)F)c1cc(Br)cc(F)c1O ZINC000866463706 733352892 /nfs/dbraw/zinc/35/28/92/733352892.db2.gz PYDXZEQAVXRHMJ-BVMVBECYSA-N 1 2 360.145 3.256 20 10 FGCDLO C[C@H](C[NH2+]Cc1cc(Cl)cc(F)c1O)c1ccc(S(C)(=O)=O)cc1 ZINC000877729372 736710126 /nfs/dbraw/zinc/71/01/26/736710126.db2.gz RAUGCMUQDYKLTQ-LLVKDONJSA-N 1 2 371.861 3.482 20 10 FGCDLO Oc1ccccc1C[N@@H+](Cc1nccn1CC(F)F)C[C@H]1CCCO1 ZINC000878241226 736793998 /nfs/dbraw/zinc/79/39/98/736793998.db2.gz ROBCUODVPWHUQG-OAHLLOKOSA-N 1 2 351.397 3.035 20 10 FGCDLO Oc1ccccc1C[N@H+](Cc1nccn1CC(F)F)C[C@H]1CCCO1 ZINC000878241226 736794001 /nfs/dbraw/zinc/79/40/01/736794001.db2.gz ROBCUODVPWHUQG-OAHLLOKOSA-N 1 2 351.397 3.035 20 10 FGCDLO [O-]c1c(Br)cc(Cl)cc1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000883093437 737522641 /nfs/dbraw/zinc/52/26/41/737522641.db2.gz VRRJQBBACKBSNL-NSHDSACASA-N 1 2 356.651 3.109 20 10 FGCDLO Cn1nc(C2CC2)cc1C[NH2+]Cc1cc(Br)cc(F)c1O ZINC000922947380 759034633 /nfs/dbraw/zinc/03/46/33/759034633.db2.gz MSPYXQLRTFNKKC-UHFFFAOYSA-N 1 2 354.223 3.195 20 10 FGCDLO Cc1cc(CC[NH2+][C@@H](C)c2cc(Br)cc(F)c2O)nn1C ZINC000926911419 759846046 /nfs/dbraw/zinc/84/60/46/759846046.db2.gz PXKXYMRFXGZPQZ-JTQLQIEISA-N 1 2 356.239 3.229 20 10 FGCDLO C[N@H+](Cc1cc2c(cc1O)OCO2)[C@H](c1ccc(F)cc1)c1ncccn1 ZINC000066859228 494427976 /nfs/dbraw/zinc/42/79/76/494427976.db2.gz ACYMOSHRPULLMU-LJQANCHMSA-N 1 2 367.380 3.271 20 10 FGCDLO C[N@@H+](Cc1cc2c(cc1O)OCO2)[C@H](c1ccc(F)cc1)c1ncccn1 ZINC000066859228 494427980 /nfs/dbraw/zinc/42/79/80/494427980.db2.gz ACYMOSHRPULLMU-LJQANCHMSA-N 1 2 367.380 3.271 20 10 FGCDLO CCCN(Cc1ccccc1O)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000108928364 494805336 /nfs/dbraw/zinc/80/53/36/494805336.db2.gz SGLGYAIFZFKBPT-UHFFFAOYSA-N 1 2 365.437 3.095 20 10 FGCDLO CCN(CC)c1ccc(CNC(=O)N(C)CCCn2cc[nH+]c2)cc1F ZINC000119885377 495261770 /nfs/dbraw/zinc/26/17/70/495261770.db2.gz YZJLNXHHVFIJGU-UHFFFAOYSA-N 1 2 361.465 3.100 20 10 FGCDLO C[C@H](Nc1cc(N2CCCCC2)nc[nH+]1)c1ccc(N2CCOCC2)cc1 ZINC000114709012 495413206 /nfs/dbraw/zinc/41/32/06/495413206.db2.gz YQOJUDRUCXAYHE-KRWDZBQOSA-N 1 2 367.497 3.477 20 10 FGCDLO C[C@H](Nc1cc(N2CCCCC2)[nH+]cn1)c1ccc(N2CCOCC2)cc1 ZINC000114709012 495413207 /nfs/dbraw/zinc/41/32/07/495413207.db2.gz YQOJUDRUCXAYHE-KRWDZBQOSA-N 1 2 367.497 3.477 20 10 FGCDLO C[C@H]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@H]1n1cc[nH+]c1 ZINC000177769096 496188671 /nfs/dbraw/zinc/18/86/71/496188671.db2.gz GGHVZWVOTVAEGS-FXAWDEMLSA-N 1 2 367.497 3.276 20 10 FGCDLO CC[N@H+](Cc1cc(Br)ccc1O)[C@H](C)c1nc(COC)no1 ZINC000181934172 496604543 /nfs/dbraw/zinc/60/45/43/496604543.db2.gz YKFNXGRLGYKRCW-SNVBAGLBSA-N 1 2 370.247 3.267 20 10 FGCDLO CC[N@@H+](Cc1cc(Br)ccc1O)[C@H](C)c1nc(COC)no1 ZINC000181934172 496604547 /nfs/dbraw/zinc/60/45/47/496604547.db2.gz YKFNXGRLGYKRCW-SNVBAGLBSA-N 1 2 370.247 3.267 20 10 FGCDLO COCCOc1cc(C)ccc1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000273609616 496853151 /nfs/dbraw/zinc/85/31/51/496853151.db2.gz VJGNLNGGOZFLBB-CQSZACIVSA-N 1 2 360.410 3.485 20 10 FGCDLO COc1c(O)c(C[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)ccc1[N+](=O)[O-] ZINC000278205135 497036875 /nfs/dbraw/zinc/03/68/75/497036875.db2.gz JOYBKRIUXDPPOA-MRXNPFEDSA-N 1 2 362.357 3.022 20 10 FGCDLO COc1c(O)c(C[N@H+]2CCO[C@@H](c3ccc(F)cc3)C2)ccc1[N+](=O)[O-] ZINC000278205135 497036878 /nfs/dbraw/zinc/03/68/78/497036878.db2.gz JOYBKRIUXDPPOA-MRXNPFEDSA-N 1 2 362.357 3.022 20 10 FGCDLO CC[N@H+](Cc1nnc2n1CCCC2)Cc1cc(Br)ccc1O ZINC000266599481 497379974 /nfs/dbraw/zinc/37/99/74/497379974.db2.gz CSVCUJZDTWXYCV-UHFFFAOYSA-N 1 2 365.275 3.105 20 10 FGCDLO CC[N@@H+](Cc1nnc2n1CCCC2)Cc1cc(Br)ccc1O ZINC000266599481 497379979 /nfs/dbraw/zinc/37/99/79/497379979.db2.gz CSVCUJZDTWXYCV-UHFFFAOYSA-N 1 2 365.275 3.105 20 10 FGCDLO C[C@@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1ccc(F)c(F)c1O ZINC000276907881 497684787 /nfs/dbraw/zinc/68/47/87/497684787.db2.gz KEOMZFLFHNVLJA-LLVKDONJSA-N 1 2 355.406 3.066 20 10 FGCDLO Oc1cc(F)c(Cl)cc1CNc1ccc[nH+]c1N1CCC(O)CC1 ZINC000293596788 498424396 /nfs/dbraw/zinc/42/43/96/498424396.db2.gz KSRFXYYTYHDMAI-UHFFFAOYSA-N 1 2 351.809 3.153 20 10 FGCDLO CCn1cnnc1[C@@H]1C[N@@H+]([C@@H](C)c2cc(Cl)c(Cl)cc2O)CCO1 ZINC000365525718 498512647 /nfs/dbraw/zinc/51/26/47/498512647.db2.gz DHTKULJIYSMUKM-BONVTDFDSA-N 1 2 371.268 3.445 20 10 FGCDLO CCn1cnnc1[C@@H]1C[N@H+]([C@@H](C)c2cc(Cl)c(Cl)cc2O)CCO1 ZINC000365525718 498512655 /nfs/dbraw/zinc/51/26/55/498512655.db2.gz DHTKULJIYSMUKM-BONVTDFDSA-N 1 2 371.268 3.445 20 10 FGCDLO Cc1[nH+]cc2n1CC[C@H](C(=O)NCc1cc(Cl)cc(Cl)c1O)C2 ZINC000365609859 498557472 /nfs/dbraw/zinc/55/74/72/498557472.db2.gz OUOGXSUQIQONHP-JTQLQIEISA-N 1 2 354.237 3.083 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)c3ccc(C(C)=O)o3)CC2)cc1 ZINC000365667057 498587052 /nfs/dbraw/zinc/58/70/52/498587052.db2.gz DFZLMFYHFMGSSB-UHFFFAOYSA-N 1 2 356.422 3.232 20 10 FGCDLO COc1c(O)c(CNc2cccc(-c3[nH+]ccn3C)c2)ccc1[N+](=O)[O-] ZINC000365795247 498644879 /nfs/dbraw/zinc/64/48/79/498644879.db2.gz MIWBZCRCFAUYAG-UHFFFAOYSA-N 1 2 354.366 3.322 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)c3cnn(C(C)(C)C)c3)CC2)cc1 ZINC000363201594 498700275 /nfs/dbraw/zinc/70/02/75/498700275.db2.gz FCOPSIKHBBAOBY-UHFFFAOYSA-N 1 2 370.497 3.388 20 10 FGCDLO Cn1cc(-c2ncc(C[NH2+]Cc3cc(Cl)cc(Cl)c3O)cn2)cn1 ZINC000368132198 499267773 /nfs/dbraw/zinc/26/77/73/499267773.db2.gz PZUBAUVBUTUSGW-UHFFFAOYSA-N 1 2 364.236 3.179 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)c3cn(C(C)C)cn3)CC2)cc1 ZINC000369744454 499440092 /nfs/dbraw/zinc/44/00/92/499440092.db2.gz FUWVGYRDKJUNSD-UHFFFAOYSA-N 1 2 356.470 3.214 20 10 FGCDLO CCCc1nnc([C@H]2C[N@H+](Cc3c(O)ccc4ccccc43)CCO2)[nH]1 ZINC000373173897 499455334 /nfs/dbraw/zinc/45/53/34/499455334.db2.gz VZFDHCWFAUJZIC-GOSISDBHSA-N 1 2 352.438 3.190 20 10 FGCDLO CCCc1nnc([C@H]2C[N@@H+](Cc3c(O)ccc4ccccc43)CCO2)[nH]1 ZINC000373173897 499455335 /nfs/dbraw/zinc/45/53/35/499455335.db2.gz VZFDHCWFAUJZIC-GOSISDBHSA-N 1 2 352.438 3.190 20 10 FGCDLO CCCc1n[nH]c([C@H]2C[N@H+](Cc3c(O)ccc4ccccc43)CCO2)n1 ZINC000373173897 499455336 /nfs/dbraw/zinc/45/53/36/499455336.db2.gz VZFDHCWFAUJZIC-GOSISDBHSA-N 1 2 352.438 3.190 20 10 FGCDLO CCCc1n[nH]c([C@H]2C[N@@H+](Cc3c(O)ccc4ccccc43)CCO2)n1 ZINC000373173897 499455337 /nfs/dbraw/zinc/45/53/37/499455337.db2.gz VZFDHCWFAUJZIC-GOSISDBHSA-N 1 2 352.438 3.190 20 10 FGCDLO CCCc1nc([C@H]2C[N@H+](Cc3c(O)ccc4ccccc43)CCO2)n[nH]1 ZINC000373173897 499455338 /nfs/dbraw/zinc/45/53/38/499455338.db2.gz VZFDHCWFAUJZIC-GOSISDBHSA-N 1 2 352.438 3.190 20 10 FGCDLO CCCc1nc([C@H]2C[N@@H+](Cc3c(O)ccc4ccccc43)CCO2)n[nH]1 ZINC000373173897 499455339 /nfs/dbraw/zinc/45/53/39/499455339.db2.gz VZFDHCWFAUJZIC-GOSISDBHSA-N 1 2 352.438 3.190 20 10 FGCDLO C[C@]1(O)CCOC[C@H]1[C@H]1CCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1O ZINC000375420613 499516859 /nfs/dbraw/zinc/51/68/59/499516859.db2.gz XBVLYSFZNUIRPW-LXZKKBNFSA-N 1 2 360.281 3.451 20 10 FGCDLO C[C@]1(O)CCOC[C@H]1[C@H]1CCC[N@H+]1Cc1cc(Cl)cc(Cl)c1O ZINC000375420613 499516860 /nfs/dbraw/zinc/51/68/60/499516860.db2.gz XBVLYSFZNUIRPW-LXZKKBNFSA-N 1 2 360.281 3.451 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)N[C@@H]3CSC[C@H]3C)CC2)cc1 ZINC000377194652 499669498 /nfs/dbraw/zinc/66/94/98/499669498.db2.gz FNYBUODDJYBJPI-RDTXWAMCSA-N 1 2 363.527 3.057 20 10 FGCDLO C[C@H]([NH2+]CC1COC1)c1cc(Br)cc(Br)c1O ZINC000528026189 504045359 /nfs/dbraw/zinc/04/53/59/504045359.db2.gz PNLCUZISYOZQKA-ZETCQYMHSA-N 1 2 365.065 3.214 20 10 FGCDLO COc1ccc(N2CC[NH+](CC(=O)Nc3c(C)cccc3C)CC2)cc1 ZINC000057548399 536694679 /nfs/dbraw/zinc/69/46/79/536694679.db2.gz ZIBPZGKIUJVUOQ-UHFFFAOYSA-N 1 2 353.466 3.073 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)c1O ZINC000819832929 606199844 /nfs/dbraw/zinc/19/98/44/606199844.db2.gz CSFAHWNZYYALHV-UHFFFAOYSA-N 1 2 371.828 3.060 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)c1O ZINC000819832929 606199847 /nfs/dbraw/zinc/19/98/47/606199847.db2.gz CSFAHWNZYYALHV-UHFFFAOYSA-N 1 2 371.828 3.060 20 10 FGCDLO COC(=O)c1ccc(C[NH+]2CCN(c3ccc(OC)c(F)c3)CC2)s1 ZINC000119933147 700643217 /nfs/dbraw/zinc/64/32/17/700643217.db2.gz VDHOYCGQMXJOTF-UHFFFAOYSA-N 1 2 364.442 3.005 20 10 FGCDLO COC(=O)CN(CCCCn1cc[nH+]c1C)Cc1cc(Cl)ccc1O ZINC000128409012 700774607 /nfs/dbraw/zinc/77/46/07/700774607.db2.gz PJNDETKSHONTBD-UHFFFAOYSA-N 1 2 365.861 3.006 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@@H+](C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)c1O ZINC000177018064 705600933 /nfs/dbraw/zinc/60/09/33/705600933.db2.gz XPGVQQLDVJDOGT-HOTGVXAUSA-N 1 2 373.902 3.036 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@H+](C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)c1O ZINC000177018064 705600935 /nfs/dbraw/zinc/60/09/35/705600935.db2.gz XPGVQQLDVJDOGT-HOTGVXAUSA-N 1 2 373.902 3.036 20 10 FGCDLO C[C@H](C[NH2+]Cc1cccc(Br)c1O)NC(=O)OC(C)(C)C ZINC000192687331 712870798 /nfs/dbraw/zinc/87/07/98/712870798.db2.gz YPZYFUBHBYRSFR-SNVBAGLBSA-N 1 2 359.264 3.158 20 10 FGCDLO Oc1c(F)cc(Cl)cc1C[NH+]1CCC(c2nnc3n2CCC3)CC1 ZINC000775654436 724016592 /nfs/dbraw/zinc/01/65/92/724016592.db2.gz KRSQOLZTMZMRSE-UHFFFAOYSA-N 1 2 350.825 3.102 20 10 FGCDLO C[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1cc(Br)cc(Cl)c1[O-] ZINC000817977018 727290139 /nfs/dbraw/zinc/29/01/39/727290139.db2.gz ZKMIOQDYJDSKNJ-HGNGGELXSA-N 1 2 351.647 3.159 20 10 FGCDLO CSc1cccc(-n2c(C)cc(C(=O)C[N@@H+]3CCC[C@H](O)C3)c2C)c1 ZINC000737817235 722527374 /nfs/dbraw/zinc/52/73/74/722527374.db2.gz YBDOUTBMKWSSQH-KRWDZBQOSA-N 1 2 358.507 3.455 20 10 FGCDLO CSc1cccc(-n2c(C)cc(C(=O)C[N@H+]3CCC[C@H](O)C3)c2C)c1 ZINC000737817235 722527375 /nfs/dbraw/zinc/52/73/75/722527375.db2.gz YBDOUTBMKWSSQH-KRWDZBQOSA-N 1 2 358.507 3.455 20 10 FGCDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000753545802 722903687 /nfs/dbraw/zinc/90/36/87/722903687.db2.gz HPBVKQSPVGWMKO-TWKFVSLJSA-N 1 2 359.491 3.313 20 10 FGCDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000753545802 722903688 /nfs/dbraw/zinc/90/36/88/722903688.db2.gz HPBVKQSPVGWMKO-TWKFVSLJSA-N 1 2 359.491 3.313 20 10 FGCDLO C[C@@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)c1cc(F)cc(F)c1O ZINC000756391176 722963881 /nfs/dbraw/zinc/96/38/81/722963881.db2.gz AUCSPZBKSWHXCB-LLVKDONJSA-N 1 2 350.365 3.219 20 10 FGCDLO COCCOCC[NH2+][C@H](C)c1cc(Br)cc(Cl)c1O ZINC000756462663 722965093 /nfs/dbraw/zinc/96/50/93/722965093.db2.gz YHXDGZHIEUJTGS-SECBINFHSA-N 1 2 352.656 3.122 20 10 FGCDLO C[C@@H]([NH2+]CCCNC(=O)C1CCC1)c1cc(Br)c(F)cc1O ZINC000756735763 722969251 /nfs/dbraw/zinc/96/92/51/722969251.db2.gz HUUFXGJSSBDAMG-SNVBAGLBSA-N 1 2 373.266 3.251 20 10 FGCDLO CCN(CC)c1ccc(C[N@H+](CC)[C@@H](C)CS(=O)(=O)CC)cc1F ZINC000769424459 723685320 /nfs/dbraw/zinc/68/53/20/723685320.db2.gz CFMWJAMWHIBTSI-HNNXBMFYSA-N 1 2 358.523 3.317 20 10 FGCDLO CCN(CC)c1ccc(C[N@@H+](CC)[C@@H](C)CS(=O)(=O)CC)cc1F ZINC000769424459 723685321 /nfs/dbraw/zinc/68/53/21/723685321.db2.gz CFMWJAMWHIBTSI-HNNXBMFYSA-N 1 2 358.523 3.317 20 10 FGCDLO C[C@H]([NH2+]CC1([S@@](C)=O)CCC1)c1cc(Br)cc(F)c1O ZINC000798004603 723897784 /nfs/dbraw/zinc/89/77/84/723897784.db2.gz NUADWMPVUQKVER-GWNMQOMSSA-N 1 2 364.280 3.246 20 10 FGCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CCCN(Cc2cscn2)CC1 ZINC000775678602 724022614 /nfs/dbraw/zinc/02/26/14/724022614.db2.gz FXTOTHWGYHYHKG-UHFFFAOYSA-N 1 2 355.866 3.349 20 10 FGCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CCCN(Cc2cscn2)CC1 ZINC000775678602 724022620 /nfs/dbraw/zinc/02/26/20/724022620.db2.gz FXTOTHWGYHYHKG-UHFFFAOYSA-N 1 2 355.866 3.349 20 10 FGCDLO CC(C)[C@@H](C[NH2+]Cc1cccc(Br)c1O)c1ccnn1C ZINC000788074835 725042772 /nfs/dbraw/zinc/04/27/72/725042772.db2.gz DYDUDUSMZRVTIJ-CYBMUJFWSA-N 1 2 352.276 3.418 20 10 FGCDLO CC[C@@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)c1cccc(Cl)c1O ZINC000806132924 725117301 /nfs/dbraw/zinc/11/73/01/725117301.db2.gz CQGPNYZMHYBUKQ-SJLPKXTDSA-N 1 2 370.946 3.294 20 10 FGCDLO COC[C@@]1(C[NH2+]Cc2cc(Cl)cc(F)c2O)OCCc2ccccc21 ZINC000811509791 725371102 /nfs/dbraw/zinc/37/11/02/725371102.db2.gz DYJDFYJZRVIQSL-LJQANCHMSA-N 1 2 365.832 3.389 20 10 FGCDLO CC[C@@H](C[NH2+]Cc1cc(Br)cc(Br)c1O)OC ZINC000811518376 725372174 /nfs/dbraw/zinc/37/21/74/725372174.db2.gz MDZZEFRJCOABPF-JTQLQIEISA-N 1 2 367.081 3.432 20 10 FGCDLO CCn1nc(C)c(C[NH2+][C@H](C)c2cc(Br)cc(F)c2O)n1 ZINC000818347256 727308748 /nfs/dbraw/zinc/30/87/48/727308748.db2.gz YSWZJAMEWWNNKX-MRVPVSSYSA-N 1 2 357.227 3.064 20 10 FGCDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3cccc(Cl)c3O)[C@@H]2C1 ZINC000822507836 729183692 /nfs/dbraw/zinc/18/36/92/729183692.db2.gz IUJNXSFKNPIYLQ-IUODEOHRSA-N 1 2 352.862 3.487 20 10 FGCDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3cccc(Cl)c3O)[C@@H]2C1 ZINC000822507836 729183694 /nfs/dbraw/zinc/18/36/94/729183694.db2.gz IUJNXSFKNPIYLQ-IUODEOHRSA-N 1 2 352.862 3.487 20 10 FGCDLO Oc1c(Br)cccc1C[NH+]1CCN(c2ccnc(F)c2)CC1 ZINC000824805684 729359650 /nfs/dbraw/zinc/35/96/50/729359650.db2.gz NZTGURRWGGNGLA-UHFFFAOYSA-N 1 2 366.234 3.011 20 10 FGCDLO Oc1c(Br)cccc1C[NH+]1CCN(c2cccc(F)n2)CC1 ZINC000824810056 729359834 /nfs/dbraw/zinc/35/98/34/729359834.db2.gz AXCCGTXMQZTLHU-UHFFFAOYSA-N 1 2 366.234 3.011 20 10 FGCDLO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+](Cc3cccc(Cl)c3O)[C@@H]2C1 ZINC000825294754 729377371 /nfs/dbraw/zinc/37/73/71/729377371.db2.gz XVPFVCSMMHUWHZ-SWLSCSKDSA-N 1 2 352.862 3.487 20 10 FGCDLO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+](Cc3cccc(Cl)c3O)[C@@H]2C1 ZINC000825294754 729377373 /nfs/dbraw/zinc/37/73/73/729377373.db2.gz XVPFVCSMMHUWHZ-SWLSCSKDSA-N 1 2 352.862 3.487 20 10 FGCDLO COc1cc(Br)cc(C[N@@H+]2C[C@H](C)OC3(CCC3)C2)c1O ZINC000843435563 730621048 /nfs/dbraw/zinc/62/10/48/730621048.db2.gz PGILKONBAIUTFS-NSHDSACASA-N 1 2 356.260 3.307 20 10 FGCDLO COc1cc(Br)cc(C[N@H+]2C[C@H](C)OC3(CCC3)C2)c1O ZINC000843435563 730621052 /nfs/dbraw/zinc/62/10/52/730621052.db2.gz PGILKONBAIUTFS-NSHDSACASA-N 1 2 356.260 3.307 20 10 FGCDLO Oc1cccc([C@@H]2C[N@H+](Cc3c(O)cccc3Br)CCO2)c1 ZINC000862246556 732797284 /nfs/dbraw/zinc/79/72/84/732797284.db2.gz QMOVAOAUDGZDMP-KRWDZBQOSA-N 1 2 364.239 3.434 20 10 FGCDLO Oc1cccc([C@@H]2C[N@@H+](Cc3c(O)cccc3Br)CCO2)c1 ZINC000862246556 732797288 /nfs/dbraw/zinc/79/72/88/732797288.db2.gz QMOVAOAUDGZDMP-KRWDZBQOSA-N 1 2 364.239 3.434 20 10 FGCDLO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2ncc(Br)s2)c1 ZINC000866620417 733374801 /nfs/dbraw/zinc/37/48/01/733374801.db2.gz MHAIFRRDTMLWHA-QMMMGPOBSA-N 1 2 371.256 3.249 20 10 FGCDLO Oc1ccccc1C[N@@H+](Cc1nccn1CC(F)F)C[C@@H]1CCCO1 ZINC000878241225 736794055 /nfs/dbraw/zinc/79/40/55/736794055.db2.gz ROBCUODVPWHUQG-HNNXBMFYSA-N 1 2 351.397 3.035 20 10 FGCDLO Oc1ccccc1C[N@H+](Cc1nccn1CC(F)F)C[C@@H]1CCCO1 ZINC000878241225 736794056 /nfs/dbraw/zinc/79/40/56/736794056.db2.gz ROBCUODVPWHUQG-HNNXBMFYSA-N 1 2 351.397 3.035 20 10 FGCDLO Cc1nn(C)c(C)c1C[C@H](C)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000883018552 737512336 /nfs/dbraw/zinc/51/23/36/737512336.db2.gz HNYMRHUEUOSDHD-VIFPVBQESA-N 1 2 370.266 3.365 20 10 FGCDLO CC(C)[C@H]([NH2+]Cc1cc(Cl)cc(Br)c1O)c1nncn1C ZINC000883117363 737525798 /nfs/dbraw/zinc/52/57/98/737525798.db2.gz XMXWFMVAGPJKBI-LBPRGKRZSA-N 1 2 373.682 3.424 20 10 FGCDLO Oc1c(F)cc(Br)cc1C[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000894083491 742236501 /nfs/dbraw/zinc/23/65/01/742236501.db2.gz DZDDWDCQGAJJCW-STQMWFEESA-N 1 2 362.264 3.000 20 10 FGCDLO Oc1c(F)cc(Br)cc1C[N@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000894083491 742236504 /nfs/dbraw/zinc/23/65/04/742236504.db2.gz DZDDWDCQGAJJCW-STQMWFEESA-N 1 2 362.264 3.000 20 10 FGCDLO O=C(NCc1ccc(O)cc1O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000910958071 757076865 /nfs/dbraw/zinc/07/68/65/757076865.db2.gz WBWSMAMOYIJPSD-QGZVFWFLSA-N 1 2 360.841 3.032 20 10 FGCDLO O=C(NCc1ccc(O)cc1O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000910958071 757076874 /nfs/dbraw/zinc/07/68/74/757076874.db2.gz WBWSMAMOYIJPSD-QGZVFWFLSA-N 1 2 360.841 3.032 20 10 FGCDLO Fc1cc(C[NH2+][C@@H](c2ncc[nH]2)c2ccccc2)ccc1N1CCOCC1 ZINC000126071961 494625906 /nfs/dbraw/zinc/62/59/06/494625906.db2.gz QKDZBXKJTUKDGD-HXUWFJFHSA-N 1 2 366.440 3.265 20 10 FGCDLO COC(=O)/C=C/c1ccc(N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC000134151461 495113996 /nfs/dbraw/zinc/11/39/96/495113996.db2.gz SPMCMKKZKBPAQD-KMPDIDLOSA-N 1 2 370.409 3.065 20 10 FGCDLO Oc1ccccc1C[N@@H+](Cc1nccn1CC(F)(F)F)C[C@H]1CCCO1 ZINC000112600427 495211073 /nfs/dbraw/zinc/21/10/73/495211073.db2.gz ILOWZNYPABXQTB-OAHLLOKOSA-N 1 2 369.387 3.332 20 10 FGCDLO Oc1ccccc1C[N@H+](Cc1nccn1CC(F)(F)F)C[C@H]1CCCO1 ZINC000112600427 495211076 /nfs/dbraw/zinc/21/10/76/495211076.db2.gz ILOWZNYPABXQTB-OAHLLOKOSA-N 1 2 369.387 3.332 20 10 FGCDLO O=C(c1ccsc1)N1CCC[N@@H+](Cc2cccc(Cl)c2O)CC1 ZINC000179796313 495735840 /nfs/dbraw/zinc/73/58/40/495735840.db2.gz VVBBATLLLBJBCB-UHFFFAOYSA-N 1 2 350.871 3.455 20 10 FGCDLO O=C(c1ccsc1)N1CCC[N@H+](Cc2cccc(Cl)c2O)CC1 ZINC000179796313 495735847 /nfs/dbraw/zinc/73/58/47/495735847.db2.gz VVBBATLLLBJBCB-UHFFFAOYSA-N 1 2 350.871 3.455 20 10 FGCDLO C[C@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)c1ccc(F)c(F)c1O ZINC000187684779 496534156 /nfs/dbraw/zinc/53/41/56/496534156.db2.gz DDVSYVHWPDYQAB-NSHDSACASA-N 1 2 355.406 3.066 20 10 FGCDLO Cc1ccc([C@@H](C[NH2+]Cc2cccc(Cl)c2O)N2CCOCC2)o1 ZINC000182125324 496678935 /nfs/dbraw/zinc/67/89/35/496678935.db2.gz ZGHNCXCKZDBRCG-MRXNPFEDSA-N 1 2 350.846 3.110 20 10 FGCDLO C[C@@H]([NH2+]Cc1cccnc1OCC(F)F)c1cc([N+](=O)[O-])ccc1O ZINC000273480085 496818604 /nfs/dbraw/zinc/81/86/04/496818604.db2.gz LVQDFSPTSQONKS-SNVBAGLBSA-N 1 2 353.325 3.190 20 10 FGCDLO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2csc([C@H](C)OC)n2)c1 ZINC000273568822 496842729 /nfs/dbraw/zinc/84/27/29/496842729.db2.gz KGPYFMZFHOUMFY-QWRGUYRKSA-N 1 2 350.440 3.194 20 10 FGCDLO Cc1nnc([C@H](C)[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)s1 ZINC000274175550 497032728 /nfs/dbraw/zinc/03/27/28/497032728.db2.gz IDWHUJFZOXERPV-RYUDHWBXSA-N 1 2 350.463 3.234 20 10 FGCDLO Cc1cc(NCc2ccc(N3CCC(O)CC3)c(F)c2)nc(C2CC2)[nH+]1 ZINC000265399636 497114646 /nfs/dbraw/zinc/11/46/46/497114646.db2.gz XOLIXTLFHCDSBM-UHFFFAOYSA-N 1 2 356.445 3.375 20 10 FGCDLO CC[NH+](CC)Cc1nc(C2([NH2+]Cc3cc(C)ccc3O)CCCC2)no1 ZINC000266059731 497244053 /nfs/dbraw/zinc/24/40/53/497244053.db2.gz ANCWKZXRSLXRKJ-UHFFFAOYSA-N 1 2 358.486 3.485 20 10 FGCDLO CC[NH+](CC)Cc1nc(C2(NCc3cc(C)ccc3O)CCCC2)no1 ZINC000266059731 497244059 /nfs/dbraw/zinc/24/40/59/497244059.db2.gz ANCWKZXRSLXRKJ-UHFFFAOYSA-N 1 2 358.486 3.485 20 10 FGCDLO CCCn1ncnc1C[N@@H+](CC)Cc1cc(Br)ccc1O ZINC000279399899 497428167 /nfs/dbraw/zinc/42/81/67/497428167.db2.gz IMIPHLGQZDDHFB-UHFFFAOYSA-N 1 2 353.264 3.178 20 10 FGCDLO C[N@H+](CCCCO)Cc1cc(Br)cc(Br)c1O ZINC000276677683 497626564 /nfs/dbraw/zinc/62/65/64/497626564.db2.gz PYSJVWMGYZPWTD-UHFFFAOYSA-N 1 2 367.081 3.122 20 10 FGCDLO C[N@@H+](CCCCO)Cc1cc(Br)cc(Br)c1O ZINC000276677683 497626566 /nfs/dbraw/zinc/62/65/66/497626566.db2.gz PYSJVWMGYZPWTD-UHFFFAOYSA-N 1 2 367.081 3.122 20 10 FGCDLO O=[N+]([O-])c1ccc(O)c(C[NH2+][C@@H](CO)c2ccccc2OC(F)(F)F)c1 ZINC000280394699 497741262 /nfs/dbraw/zinc/74/12/62/497741262.db2.gz XFKKVVVDYUCRHQ-ZDUSSCGKSA-N 1 2 372.299 3.022 20 10 FGCDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)C2 ZINC000364387772 497933585 /nfs/dbraw/zinc/93/35/85/497933585.db2.gz QVQIMXYTVVQMSL-INIZCTEOSA-N 1 2 354.498 3.363 20 10 FGCDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)CC2 ZINC000364387772 497933588 /nfs/dbraw/zinc/93/35/88/497933588.db2.gz QVQIMXYTVVQMSL-INIZCTEOSA-N 1 2 354.498 3.363 20 10 FGCDLO CCn1cc[nH+]c1CNC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000296638870 498132427 /nfs/dbraw/zinc/13/24/27/498132427.db2.gz MJBYZBDXZNFIKI-UHFFFAOYSA-N 1 2 355.486 3.139 20 10 FGCDLO Cc1nc(NCc2ccc(N3CCC(CO)CC3)cc2)c2c([nH+]1)CCCC2 ZINC000301554990 498161118 /nfs/dbraw/zinc/16/11/18/498161118.db2.gz IETZBGNGJDEYMJ-UHFFFAOYSA-N 1 2 366.509 3.485 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)C[C@H](O)c3ccccc3)CC2)cc1 ZINC000361084471 498342855 /nfs/dbraw/zinc/34/28/55/498342855.db2.gz BVNJCEPZXBAKDV-NRFANRHFSA-N 1 2 368.477 3.246 20 10 FGCDLO CS(=O)(=O)CC1CCC([NH2+]Cc2cc(Cl)cc(Cl)c2O)CC1 ZINC000293863460 498515576 /nfs/dbraw/zinc/51/55/76/498515576.db2.gz IKMDJOBDTCXDBF-UHFFFAOYSA-N 1 2 366.310 3.392 20 10 FGCDLO Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000365820899 498655893 /nfs/dbraw/zinc/65/58/93/498655893.db2.gz OQMHWEMHGFPQKD-NSHDSACASA-N 1 2 350.806 3.067 20 10 FGCDLO Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000365820899 498655898 /nfs/dbraw/zinc/65/58/98/498655898.db2.gz OQMHWEMHGFPQKD-NSHDSACASA-N 1 2 350.806 3.067 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)c3cc(C(C)(C)C)n[nH]3)CC2)cc1 ZINC000363201613 498700347 /nfs/dbraw/zinc/70/03/47/498700347.db2.gz FPASHWMXFUFZNW-UHFFFAOYSA-N 1 2 370.497 3.457 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)c3ccc(Cl)nc3)CC2)cc1 ZINC000363631280 498914648 /nfs/dbraw/zinc/91/46/48/498914648.db2.gz JQTUWNLDTCEKKD-UHFFFAOYSA-N 1 2 359.857 3.485 20 10 FGCDLO CC[C@@H]1C[C@H](C(=O)N(C)C2CC[NH+](c3ccc(OC)cc3)CC2)CCO1 ZINC000371595045 499345693 /nfs/dbraw/zinc/34/56/93/499345693.db2.gz AXPYLUXCSAYEHB-VQIMIIECSA-N 1 2 360.498 3.328 20 10 FGCDLO Oc1c(Br)cccc1C[NH2+]C1CCN(c2ccccn2)CC1 ZINC000098039185 700464526 /nfs/dbraw/zinc/46/45/26/700464526.db2.gz JYSDNFGXXMCTBI-UHFFFAOYSA-N 1 2 362.271 3.308 20 10 FGCDLO O=C(NCCCSc1nccs1)NCc1ccccc1-n1cc[nH+]c1 ZINC000152752868 704972791 /nfs/dbraw/zinc/97/27/91/704972791.db2.gz BVVLETPPFQKAJP-UHFFFAOYSA-N 1 2 373.507 3.310 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(C(=O)N3CCCC3)CC2)c1O ZINC000176997009 705599958 /nfs/dbraw/zinc/59/99/58/705599958.db2.gz RXGBJSQANOHURL-UHFFFAOYSA-N 1 2 364.873 3.083 20 10 FGCDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3cc(C)cc(Br)c3O)[C@@H]2C1 ZINC000781913170 724611867 /nfs/dbraw/zinc/61/18/67/724611867.db2.gz ZWQRHYSSXGNPKK-BMFZPTHFSA-N 1 2 370.287 3.231 20 10 FGCDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3cc(C)cc(Br)c3O)[C@@H]2C1 ZINC000781913170 724611869 /nfs/dbraw/zinc/61/18/69/724611869.db2.gz ZWQRHYSSXGNPKK-BMFZPTHFSA-N 1 2 370.287 3.231 20 10 FGCDLO OC[C@@H](C[NH2+]Cc1cccc(Br)c1O)Cc1ccc(F)cc1 ZINC000725846901 722424643 /nfs/dbraw/zinc/42/46/43/722424643.db2.gz WYGGADXKVQNFBR-CYBMUJFWSA-N 1 2 368.246 3.235 20 10 FGCDLO C[C@@H]([NH2+][C@@H](C(N)=O)c1ccccc1)c1cc(Br)c(F)cc1O ZINC000756382061 722963685 /nfs/dbraw/zinc/96/36/85/722963685.db2.gz QPMNGMATSQIPRN-RFAUZJTJSA-N 1 2 367.218 3.171 20 10 FGCDLO CCC(CC)[C@H](C[NH2+][C@H](C)c1cc(F)cc(F)c1O)N1CCOCC1 ZINC000756399365 722964011 /nfs/dbraw/zinc/96/40/11/722964011.db2.gz NVOVONZFELNZDY-ACJLOTCBSA-N 1 2 356.457 3.458 20 10 FGCDLO C[C@H]([NH2+]CCCO[C@H]1CCOC1)c1cc(Br)c(F)cc1O ZINC000756649058 722968202 /nfs/dbraw/zinc/96/82/02/722968202.db2.gz CKQGSJYMQYHCCU-QWRGUYRKSA-N 1 2 362.239 3.140 20 10 FGCDLO C[C@@H]([NH2+][C@H]1CCc2c[nH]nc2C1)c1cc(Br)c(F)cc1O ZINC000756647829 722968226 /nfs/dbraw/zinc/96/82/26/722968226.db2.gz VPMJGSVWNODCAJ-SCZZXKLOSA-N 1 2 354.223 3.225 20 10 FGCDLO C[C@H]([NH2+][C@H]1CCO[C@@]2(CCOC2)C1)c1cc(Br)c(F)cc1O ZINC000756782920 722969988 /nfs/dbraw/zinc/96/99/88/722969988.db2.gz VWZVOMXFMRPVSK-MMPTUQATSA-N 1 2 374.250 3.283 20 10 FGCDLO C[C@@H]([NH2+]Cc1nnc2n1CCCC2)c1cc(Br)c(F)cc1O ZINC000760866970 723099834 /nfs/dbraw/zinc/09/98/34/723099834.db2.gz BKNNCMYILHPTKL-SECBINFHSA-N 1 2 369.238 3.072 20 10 FGCDLO CCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000760883184 723101046 /nfs/dbraw/zinc/10/10/46/723101046.db2.gz AOTZIGPMTGAULZ-CUOATXAZSA-N 1 2 362.239 3.138 20 10 FGCDLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1ccc(N(C)C)cc1C(F)(F)F)CCO2 ZINC000793232211 723414357 /nfs/dbraw/zinc/41/43/57/723414357.db2.gz USPDAKCKXYGKCM-SUMWQHHRSA-N 1 2 358.404 3.151 20 10 FGCDLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1ccc(N(C)C)cc1C(F)(F)F)CCO2 ZINC000793232211 723414361 /nfs/dbraw/zinc/41/43/61/723414361.db2.gz USPDAKCKXYGKCM-SUMWQHHRSA-N 1 2 358.404 3.151 20 10 FGCDLO COc1cc(Cl)cc(C[N@H+](CCO)Cc2cccnc2Cl)c1O ZINC000793365297 723430846 /nfs/dbraw/zinc/43/08/46/723430846.db2.gz GPQFPNGRMXHLRU-UHFFFAOYSA-N 1 2 357.237 3.097 20 10 FGCDLO COc1cc(Cl)cc(C[N@@H+](CCO)Cc2cccnc2Cl)c1O ZINC000793365297 723430848 /nfs/dbraw/zinc/43/08/48/723430848.db2.gz GPQFPNGRMXHLRU-UHFFFAOYSA-N 1 2 357.237 3.097 20 10 FGCDLO CC[C@H]1C[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C[C@]2(CCOC2)O1 ZINC000796550010 723643114 /nfs/dbraw/zinc/64/31/14/723643114.db2.gz ALWJLMSPSUUCNZ-YJBOKZPZSA-N 1 2 353.846 3.018 20 10 FGCDLO CC[C@H]1C[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C[C@]2(CCOC2)O1 ZINC000796550010 723643117 /nfs/dbraw/zinc/64/31/17/723643117.db2.gz ALWJLMSPSUUCNZ-YJBOKZPZSA-N 1 2 353.846 3.018 20 10 FGCDLO COc1cccc(C[C@H](C)[NH2+]Cc2cccc(Br)c2O)n1 ZINC000775145784 723963740 /nfs/dbraw/zinc/96/37/40/723963740.db2.gz LDVOFZHHXQJBAD-NSHDSACASA-N 1 2 351.244 3.279 20 10 FGCDLO COC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2cccc(Br)c2O)C1 ZINC000775346239 723983868 /nfs/dbraw/zinc/98/38/68/723983868.db2.gz KXWGXCPHUHPBDN-WCQYABFASA-N 1 2 371.275 3.111 20 10 FGCDLO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2Cc2cc(Cl)cc(F)c2O)C[C@H](C)O1 ZINC000775660697 724018630 /nfs/dbraw/zinc/01/86/30/724018630.db2.gz GWBDGTNRMRZTJI-DVOMOZLQSA-N 1 2 356.869 3.258 20 10 FGCDLO C[C@@H]1CN(C[C@H]2CCC[N@H+]2Cc2cc(Cl)cc(F)c2O)C[C@H](C)O1 ZINC000775660697 724018634 /nfs/dbraw/zinc/01/86/34/724018634.db2.gz GWBDGTNRMRZTJI-DVOMOZLQSA-N 1 2 356.869 3.258 20 10 FGCDLO O=C1C[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2O)CN1c1c(F)cccc1F ZINC000776255488 724124582 /nfs/dbraw/zinc/12/45/82/724124582.db2.gz FLWHYFYUWUEBHQ-LLVKDONJSA-N 1 2 370.758 3.358 20 10 FGCDLO COc1cccc([C@@H]2[C@H](NC(=O)C3=CC(=O)CS3)CC[N@@H+]2C2CC2)c1 ZINC000778515236 724339267 /nfs/dbraw/zinc/33/92/67/724339267.db2.gz PSOCBTHIYIXNTP-SJLPKXTDSA-N 1 2 358.463 3.170 20 10 FGCDLO COc1cccc([C@@H]2[C@H](NC(=O)C3=CC(=O)CS3)CC[N@H+]2C2CC2)c1 ZINC000778515236 724339276 /nfs/dbraw/zinc/33/92/76/724339276.db2.gz PSOCBTHIYIXNTP-SJLPKXTDSA-N 1 2 358.463 3.170 20 10 FGCDLO CCOC(=O)[C@H](C)[N@H+](Cc1cc(Br)cc(C)c1O)C1CC1 ZINC000787441601 725028444 /nfs/dbraw/zinc/02/84/44/725028444.db2.gz OVXNFSNWALJTED-NSHDSACASA-N 1 2 356.260 3.379 20 10 FGCDLO CCOC(=O)[C@H](C)[N@@H+](Cc1cc(Br)cc(C)c1O)C1CC1 ZINC000787441601 725028446 /nfs/dbraw/zinc/02/84/46/725028446.db2.gz OVXNFSNWALJTED-NSHDSACASA-N 1 2 356.260 3.379 20 10 FGCDLO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000809697116 725259827 /nfs/dbraw/zinc/25/98/27/725259827.db2.gz WMSGHXRQPVDHEY-ZDUSSCGKSA-N 1 2 355.715 3.112 20 10 FGCDLO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000809697116 725259828 /nfs/dbraw/zinc/25/98/28/725259828.db2.gz WMSGHXRQPVDHEY-ZDUSSCGKSA-N 1 2 355.715 3.112 20 10 FGCDLO CO[C@@H](C)[C@@H](C)[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000811517200 725372213 /nfs/dbraw/zinc/37/22/13/725372213.db2.gz KXCPHZRVOLTLFI-SFYZADRCSA-N 1 2 367.081 3.430 20 10 FGCDLO CC1(C)C[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@@H](C(F)(F)F)O1 ZINC000814177040 726945196 /nfs/dbraw/zinc/94/51/96/726945196.db2.gz XMTNBUYQFMJWMT-INIZCTEOSA-N 1 2 358.404 3.065 20 10 FGCDLO CC1(C)C[N@@H+](Cc2ccc(N3CCOCC3)cc2)C[C@@H](C(F)(F)F)O1 ZINC000814177040 726945197 /nfs/dbraw/zinc/94/51/97/726945197.db2.gz XMTNBUYQFMJWMT-INIZCTEOSA-N 1 2 358.404 3.065 20 10 FGCDLO CCCN1C[C@@H](C[NH2+][C@H](C)c2cc(Br)c(F)cc2O)CC1=O ZINC000817590015 727268924 /nfs/dbraw/zinc/26/89/24/727268924.db2.gz SFNWMSKQWYGUSX-GHMZBOCLSA-N 1 2 373.266 3.203 20 10 FGCDLO CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000820886753 729041137 /nfs/dbraw/zinc/04/11/37/729041137.db2.gz UGMAUIVVRLBLMC-CHWSQXEVSA-N 1 2 364.243 3.030 20 10 FGCDLO CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000820886753 729041140 /nfs/dbraw/zinc/04/11/40/729041140.db2.gz UGMAUIVVRLBLMC-CHWSQXEVSA-N 1 2 364.243 3.030 20 10 FGCDLO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000826894778 729418162 /nfs/dbraw/zinc/41/81/62/729418162.db2.gz WONVXQKZZZABGA-MNOVXSKESA-N 1 2 351.752 3.219 20 10 FGCDLO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000826894778 729418164 /nfs/dbraw/zinc/41/81/64/729418164.db2.gz WONVXQKZZZABGA-MNOVXSKESA-N 1 2 351.752 3.219 20 10 FGCDLO CCO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1O ZINC000834902513 729845090 /nfs/dbraw/zinc/84/50/90/729845090.db2.gz BYMBPMMGPZXBAG-ZEGGKSINSA-N 1 2 364.667 3.263 20 10 FGCDLO C[C@H]([NH2+][C@@H](COC(N)=O)Cc1ccccc1)c1cc(F)cc(F)c1O ZINC000840864925 730185076 /nfs/dbraw/zinc/18/50/76/730185076.db2.gz RLQNMXREPRTJOZ-SMDDNHRTSA-N 1 2 350.365 3.442 20 10 FGCDLO Cc1cc(O)c(C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)c(Cl)c1 ZINC000840920976 730191827 /nfs/dbraw/zinc/19/18/27/730191827.db2.gz LLJJGQJYCLJBCD-GUYCJALGSA-N 1 2 351.830 3.272 20 10 FGCDLO Cc1cc(O)c(C[N@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)c(Cl)c1 ZINC000840920976 730191829 /nfs/dbraw/zinc/19/18/29/730191829.db2.gz LLJJGQJYCLJBCD-GUYCJALGSA-N 1 2 351.830 3.272 20 10 FGCDLO Nc1ccc(CCNC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc1 ZINC000841016622 730203576 /nfs/dbraw/zinc/20/35/76/730203576.db2.gz JNDBMHJISZPTAS-UHFFFAOYSA-N 1 2 359.499 3.075 20 10 FGCDLO C[C@@H]([NH2+][C@@H]1CCN(CC(F)F)C1)c1cc(Br)c(F)cc1O ZINC000841764762 730271931 /nfs/dbraw/zinc/27/19/31/730271931.db2.gz IBRBEZNRUOPTOG-RKDXNWHRSA-N 1 2 367.209 3.284 20 10 FGCDLO O=C(NCc1ccccc1)[C@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000843429250 730620377 /nfs/dbraw/zinc/62/03/77/730620377.db2.gz UFPHQWFKTBTSSJ-AWEZNQCLSA-N 1 2 362.832 3.323 20 10 FGCDLO O=C(NCc1ccccc1)[C@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000843429250 730620379 /nfs/dbraw/zinc/62/03/79/730620379.db2.gz UFPHQWFKTBTSSJ-AWEZNQCLSA-N 1 2 362.832 3.323 20 10 FGCDLO Cn1c(=O)ccc2c1CCC[C@@H]2[NH2+]Cc1cccc(Br)c1O ZINC000846109281 730929730 /nfs/dbraw/zinc/92/97/30/730929730.db2.gz SXBFKKUVZKTJDT-AWEZNQCLSA-N 1 2 363.255 3.021 20 10 FGCDLO C[C@H]([NH2+][C@H]1C[C@H](C)n2ncnc21)c1cc(Br)cc(F)c1O ZINC000850498928 731364822 /nfs/dbraw/zinc/36/48/22/731364822.db2.gz GCCBIILYOLAPFD-UBJUHAIHSA-N 1 2 355.211 3.242 20 10 FGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]CC[C@@H](O)COCc1ccccc1 ZINC000862547743 732848743 /nfs/dbraw/zinc/84/87/43/732848743.db2.gz NNCPQQCEKQZWNI-MRXNPFEDSA-N 1 2 353.821 3.242 20 10 FGCDLO COc1cc(CCC[NH2+]Cc2cc(F)cc(F)c2O)cc(OC)c1O ZINC000883183583 737532710 /nfs/dbraw/zinc/53/27/10/737532710.db2.gz FFAQYCAAYXIHGV-UHFFFAOYSA-N 1 2 353.365 3.116 20 10 FGCDLO OCC[N@H+](Cc1cccnc1)Cc1cc(Cl)cc(Br)c1O ZINC000894002533 742225497 /nfs/dbraw/zinc/22/54/97/742225497.db2.gz RFPKBEZGYMLTDF-UHFFFAOYSA-N 1 2 371.662 3.198 20 10 FGCDLO OCC[N@@H+](Cc1cccnc1)Cc1cc(Cl)cc(Br)c1O ZINC000894002533 742225502 /nfs/dbraw/zinc/22/55/02/742225502.db2.gz RFPKBEZGYMLTDF-UHFFFAOYSA-N 1 2 371.662 3.198 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)S(=O)(=O)Cc3ccccc3)CC2)cc1 ZINC000066103701 494276380 /nfs/dbraw/zinc/27/63/80/494276380.db2.gz NNSGKIUWIILXAC-UHFFFAOYSA-N 1 2 374.506 3.126 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)N[C@H](C)c3ccccn3)CC2)cc1 ZINC000066174939 494284054 /nfs/dbraw/zinc/28/40/54/494284054.db2.gz PHMFNOSKKSCSBM-MRXNPFEDSA-N 1 2 368.481 3.462 20 10 FGCDLO C[C@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1O)c1ccc(S(C)(=O)=O)cc1 ZINC000187669451 496528418 /nfs/dbraw/zinc/52/84/18/496528418.db2.gz CMZGIOSNYOPRGN-QWRGUYRKSA-N 1 2 355.406 3.486 20 10 FGCDLO C[C@H]([NH2+]Cc1ccc(CN2CCCC2=O)cc1)c1cc([N+](=O)[O-])ccc1O ZINC000273407647 496797423 /nfs/dbraw/zinc/79/74/23/496797423.db2.gz OWUYHCDPCSZSMY-AWEZNQCLSA-N 1 2 369.421 3.274 20 10 FGCDLO COc1cc(OC)c(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2O)c(OC)c1 ZINC000273446083 496808091 /nfs/dbraw/zinc/80/80/91/496808091.db2.gz ZXTHJJRNQIUILN-NSHDSACASA-N 1 2 362.382 3.177 20 10 FGCDLO CCS(=O)(=O)C1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000195160314 496838616 /nfs/dbraw/zinc/83/86/16/496838616.db2.gz BGFFRAYCLXHFET-UHFFFAOYSA-N 1 2 350.528 3.076 20 10 FGCDLO Cc1ccc(Cc2noc(/C=C/c3ccc(N4CCOCC4)cc3)n2)c[nH+]1 ZINC000273893227 496948081 /nfs/dbraw/zinc/94/80/81/496948081.db2.gz IINPUEHNWQNASX-RMKNXTFCSA-N 1 2 362.433 3.371 20 10 FGCDLO COc1cccc(Cl)c1C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278392161 497099213 /nfs/dbraw/zinc/09/92/13/497099213.db2.gz NAJIAXOGJKBVFT-UHFFFAOYSA-N 1 2 352.774 3.261 20 10 FGCDLO Cc1cc(N2CCC([NH2+]Cc3cc(Cl)cc(Cl)c3O)CC2)n[nH]1 ZINC000276113762 497499816 /nfs/dbraw/zinc/49/98/16/497499816.db2.gz XXHHAWSASFNIKY-UHFFFAOYSA-N 1 2 355.269 3.489 20 10 FGCDLO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000190961379 497662467 /nfs/dbraw/zinc/66/24/67/497662467.db2.gz LIQDWQNZFYQTRA-CYBMUJFWSA-N 1 2 366.421 3.251 20 10 FGCDLO O=C(c1ccco1)N1CCC[N@@H+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000364472425 497974725 /nfs/dbraw/zinc/97/47/25/497974725.db2.gz MPLATZNJNRDTOA-UHFFFAOYSA-N 1 2 352.793 3.126 20 10 FGCDLO O=C(c1ccco1)N1CCC[N@H+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000364472425 497974732 /nfs/dbraw/zinc/97/47/32/497974732.db2.gz MPLATZNJNRDTOA-UHFFFAOYSA-N 1 2 352.793 3.126 20 10 FGCDLO C[C@H]([NH2+]C[C@H]1CCN(C(=O)Cc2ccccc2)C1)c1ccc(F)c(F)c1O ZINC000364797209 498147993 /nfs/dbraw/zinc/14/79/93/498147993.db2.gz XQTNONBIUVSLJZ-GOEBONIOSA-N 1 2 374.431 3.412 20 10 FGCDLO CN(C)C(=O)c1cccc(CC[NH2+]Cc2cc(Cl)c(F)cc2O)c1 ZINC000293753113 498478544 /nfs/dbraw/zinc/47/85/44/498478544.db2.gz YHMVFOPEYNFWNL-UHFFFAOYSA-N 1 2 350.821 3.219 20 10 FGCDLO Oc1cc(F)c(Cl)cc1C[NH2+]CCCc1nnc2n1CCCCC2 ZINC000293818860 498500224 /nfs/dbraw/zinc/50/02/24/498500224.db2.gz DBNQKIHVVHSHBM-UHFFFAOYSA-N 1 2 352.841 3.225 20 10 FGCDLO O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282537468 498548763 /nfs/dbraw/zinc/54/87/63/498548763.db2.gz COKVLTYFLKNSTO-DYLHUKMJSA-N 1 2 367.449 3.050 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)c3noc4c3CCCC4)CC2)cc1 ZINC000363202561 498701832 /nfs/dbraw/zinc/70/18/32/498701832.db2.gz UIMWPZSVABWPJA-UHFFFAOYSA-N 1 2 369.465 3.303 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)[C@H]3CC3(Cl)Cl)CC2)cc1 ZINC000363650576 498924722 /nfs/dbraw/zinc/92/47/22/498924722.db2.gz GFXVTVLSKJQHDC-OAHLLOKOSA-N 1 2 357.281 3.316 20 10 FGCDLO CC[C@H](c1cccc(Cl)c1O)[N@@H+]1CCO[C@H](c2nncn2CC)C1 ZINC000367897379 499242895 /nfs/dbraw/zinc/24/28/95/499242895.db2.gz SQULMGVCXLUYKE-CABCVRRESA-N 1 2 350.850 3.182 20 10 FGCDLO CC[C@H](c1cccc(Cl)c1O)[N@H+]1CCO[C@H](c2nncn2CC)C1 ZINC000367897379 499242896 /nfs/dbraw/zinc/24/28/96/499242896.db2.gz SQULMGVCXLUYKE-CABCVRRESA-N 1 2 350.850 3.182 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)CNc3ccccc3)CC2)cc1 ZINC000370766943 499252615 /nfs/dbraw/zinc/25/26/15/499252615.db2.gz QLWSHRLMEWGLRN-UHFFFAOYSA-N 1 2 353.466 3.235 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)/C=C/c3cccnc3)CC2)cc1 ZINC000368859076 499340701 /nfs/dbraw/zinc/34/07/01/499340701.db2.gz DTYQAHKVKXNTTB-BJMVGYQFSA-N 1 2 351.450 3.231 20 10 FGCDLO CCOC(C)(C)CNC(=O)N(C)C1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000372444154 499435921 /nfs/dbraw/zinc/43/59/21/499435921.db2.gz BUTBYWUOQNNMBO-UHFFFAOYSA-N 1 2 363.502 3.121 20 10 FGCDLO CCCOc1ccc(C[N@@H+]2CCOC[C@@H]2c2c(C)nn(C)c2C)c(O)c1 ZINC000375262802 499500653 /nfs/dbraw/zinc/50/06/53/499500653.db2.gz XVQDJJMMDAPWJG-GOSISDBHSA-N 1 2 359.470 3.105 20 10 FGCDLO CCCOc1ccc(C[N@H+]2CCOC[C@@H]2c2c(C)nn(C)c2C)c(O)c1 ZINC000375262802 499500655 /nfs/dbraw/zinc/50/06/55/499500655.db2.gz XVQDJJMMDAPWJG-GOSISDBHSA-N 1 2 359.470 3.105 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)N[C@H](C)C(F)(F)F)CC2)cc1 ZINC000377535587 499701655 /nfs/dbraw/zinc/70/16/55/499701655.db2.gz JEULOGOPZLRSRL-GFCCVEGCSA-N 1 2 359.392 3.256 20 10 FGCDLO CCCCNc1cc(N2CC=C(c3c[nH]c4ncccc34)CC2)nc(N)[nH+]1 ZINC000552910915 504786555 /nfs/dbraw/zinc/78/65/55/504786555.db2.gz DOGDDHOCISHRBZ-UHFFFAOYSA-N 1 2 363.469 3.271 20 10 FGCDLO CCCCNc1cc(N2CC=C(c3c[nH]c4ncccc34)CC2)[nH+]c(N)n1 ZINC000552910915 504786561 /nfs/dbraw/zinc/78/65/61/504786561.db2.gz DOGDDHOCISHRBZ-UHFFFAOYSA-N 1 2 363.469 3.271 20 10 FGCDLO Cc1ccc2[nH+]c(/C=C3\CCn4c3nc3ccc([N+](=O)[O-])cc3c4=O)cn2c1 ZINC000550975856 505135118 /nfs/dbraw/zinc/13/51/18/505135118.db2.gz NJABRPQZAHIRCA-MDWZMJQESA-N 1 2 373.372 3.205 20 10 FGCDLO C[C@@H]([NH2+]Cc1cccc(Br)c1O)c1nnc2n1CCCCC2 ZINC000314644094 713805705 /nfs/dbraw/zinc/80/57/05/713805705.db2.gz LERNOZPCSUVPJX-LLVKDONJSA-N 1 2 365.275 3.323 20 10 FGCDLO C[C@@H]([NH2+][C@@H]1CCn2ccnc2C1)c1cc(Br)c(F)cc1O ZINC000779064261 724386812 /nfs/dbraw/zinc/38/68/12/724386812.db2.gz HXFCXOCRJZDOTA-NXEZZACHSA-N 1 2 354.223 3.156 20 10 FGCDLO COCCOCCCC[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000756515081 722965985 /nfs/dbraw/zinc/96/59/85/722965985.db2.gz BTQGOJNPIIFSIY-LLVKDONJSA-N 1 2 364.255 3.388 20 10 FGCDLO O=C(NCCCCn1cc[nH+]c1)NCc1cc(Cl)cc(Cl)c1O ZINC000804972467 724569868 /nfs/dbraw/zinc/56/98/68/724569868.db2.gz GSXFKTYEBCLQCO-UHFFFAOYSA-N 1 2 357.241 3.175 20 10 FGCDLO COC(=O)C[N@H+](Cc1cc(C)cc(Br)c1O)C1CCCC1 ZINC000781907882 724610852 /nfs/dbraw/zinc/61/08/52/724610852.db2.gz GJQGQXVPORRXDV-UHFFFAOYSA-N 1 2 356.260 3.381 20 10 FGCDLO COC(=O)C[N@@H+](Cc1cc(C)cc(Br)c1O)C1CCCC1 ZINC000781907882 724610853 /nfs/dbraw/zinc/61/08/53/724610853.db2.gz GJQGQXVPORRXDV-UHFFFAOYSA-N 1 2 356.260 3.381 20 10 FGCDLO CN1CCN(C[C@H]([NH2+]Cc2c(O)cccc2Cl)c2ccccc2)CC1 ZINC000733327038 722495664 /nfs/dbraw/zinc/49/56/64/722495664.db2.gz LQGRMXARRXYPON-IBGZPJMESA-N 1 2 359.901 3.124 20 10 FGCDLO COC(=O)COc1ccc(N(C)Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000753592097 722905827 /nfs/dbraw/zinc/90/58/27/722905827.db2.gz QONZCFJEFIOXAY-UHFFFAOYSA-N 1 2 357.435 3.122 20 10 FGCDLO C[C@@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1cc(F)cc(F)c1O ZINC000756434797 722964543 /nfs/dbraw/zinc/96/45/43/722964543.db2.gz PVYNQNBGLHALPZ-LLVKDONJSA-N 1 2 355.406 3.066 20 10 FGCDLO CC[C@@H](C)NC(=O)CC[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000756454559 722964988 /nfs/dbraw/zinc/96/49/88/722964988.db2.gz GCRGCZDVKZFXFW-ZJUUUORDSA-N 1 2 361.255 3.249 20 10 FGCDLO C[C@H]([NH2+]CCCNc1ncccn1)c1cc(Br)c(F)cc1O ZINC000756642670 722968128 /nfs/dbraw/zinc/96/81/28/722968128.db2.gz QBUDCLOXYGOYCK-JTQLQIEISA-N 1 2 369.238 3.237 20 10 FGCDLO Cc1cc(Br)c(O)c(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)c1 ZINC000790933210 723195430 /nfs/dbraw/zinc/19/54/30/723195430.db2.gz YJUOHSRURLDJCD-AHIWAGSCSA-N 1 2 370.287 3.231 20 10 FGCDLO Cc1cc(Br)c(O)c(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)c1 ZINC000790933210 723195432 /nfs/dbraw/zinc/19/54/32/723195432.db2.gz YJUOHSRURLDJCD-AHIWAGSCSA-N 1 2 370.287 3.231 20 10 FGCDLO Oc1ccc(Cl)cc1C[NH+]1CCN(c2nc(F)c(F)cc2F)CC1 ZINC000763621011 723356702 /nfs/dbraw/zinc/35/67/02/723356702.db2.gz XSMOWJZKDCPTLV-UHFFFAOYSA-N 1 2 357.763 3.180 20 10 FGCDLO COc1cccc(F)c1[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000775021587 723953089 /nfs/dbraw/zinc/95/30/89/723953089.db2.gz PYKBUCGXFCOIQT-JTQLQIEISA-N 1 2 350.346 3.308 20 10 FGCDLO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1cc(Cl)cc(F)c1O ZINC000775644198 724014855 /nfs/dbraw/zinc/01/48/55/724014855.db2.gz GMVODZKNYRTOHU-SNVBAGLBSA-N 1 2 372.849 3.025 20 10 FGCDLO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1cc(Cl)cc(F)c1O ZINC000775644198 724014859 /nfs/dbraw/zinc/01/48/59/724014859.db2.gz GMVODZKNYRTOHU-SNVBAGLBSA-N 1 2 372.849 3.025 20 10 FGCDLO CO[C@H]1CC[N@H+](Cc2cc(Br)cc(Br)c2O)C1 ZINC000775701011 724027094 /nfs/dbraw/zinc/02/70/94/724027094.db2.gz AKIDCPJAXQGFCU-JTQLQIEISA-N 1 2 365.065 3.138 20 10 FGCDLO CO[C@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2O)C1 ZINC000775701011 724027096 /nfs/dbraw/zinc/02/70/96/724027096.db2.gz AKIDCPJAXQGFCU-JTQLQIEISA-N 1 2 365.065 3.138 20 10 FGCDLO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1Cc1cc(Cl)cc(Cl)c1O ZINC000787303443 725024261 /nfs/dbraw/zinc/02/42/61/725024261.db2.gz OQGPGXBFQSROPF-GFCCVEGCSA-N 1 2 359.297 3.384 20 10 FGCDLO C[C@@H]1C[N@H+](C2CCOCC2)CCN1Cc1cc(Cl)cc(Cl)c1O ZINC000787303443 725024262 /nfs/dbraw/zinc/02/42/62/725024262.db2.gz OQGPGXBFQSROPF-GFCCVEGCSA-N 1 2 359.297 3.384 20 10 FGCDLO CC[C@H]([NH2+]CC1CCN(S(=O)(=O)CC)CC1)c1cccc(Cl)c1O ZINC000806158167 725118662 /nfs/dbraw/zinc/11/86/62/725118662.db2.gz KKZBTCPCFOSVMD-INIZCTEOSA-N 1 2 374.934 3.148 20 10 FGCDLO CC[N@H+](CC(=O)NCc1cc(OC)ccc1O)Cc1ccccc1Cl ZINC000806858276 725146353 /nfs/dbraw/zinc/14/63/53/725146353.db2.gz HSYDFPUTGNSCTH-UHFFFAOYSA-N 1 2 362.857 3.193 20 10 FGCDLO CC[N@@H+](CC(=O)NCc1cc(OC)ccc1O)Cc1ccccc1Cl ZINC000806858276 725146356 /nfs/dbraw/zinc/14/63/56/725146356.db2.gz HSYDFPUTGNSCTH-UHFFFAOYSA-N 1 2 362.857 3.193 20 10 FGCDLO Cc1cc(Br)c(O)c(C[N@H+](CCN(C)C)C[C@H]2CCCO2)c1 ZINC000809737159 725264037 /nfs/dbraw/zinc/26/40/37/725264037.db2.gz DGGBXBLXZZSZKL-OAHLLOKOSA-N 1 2 371.319 3.006 20 10 FGCDLO Cc1cc(Br)c(O)c(C[N@@H+](CCN(C)C)C[C@H]2CCCO2)c1 ZINC000809737159 725264038 /nfs/dbraw/zinc/26/40/38/725264038.db2.gz DGGBXBLXZZSZKL-OAHLLOKOSA-N 1 2 371.319 3.006 20 10 FGCDLO O=C(C1CCC1)N(CCC[NH2+]Cc1cc(Cl)c(F)cc1O)C1CC1 ZINC000816549394 727174343 /nfs/dbraw/zinc/17/43/43/727174343.db2.gz MRQQFSDQBWACLS-UHFFFAOYSA-N 1 2 354.853 3.456 20 10 FGCDLO C[C@@H]([NH2+]CCCNCc1cccnc1)c1ccc(Br)cc1O ZINC000817941687 727289066 /nfs/dbraw/zinc/28/90/66/727289066.db2.gz VHDILPQYGDVQSP-CYBMUJFWSA-N 1 2 364.287 3.380 20 10 FGCDLO COc1ccc(OC)c2c1C[N@H+](Cc1cc(Cl)c(C)cc1O)C[C@@H]2O ZINC000824534475 729345954 /nfs/dbraw/zinc/34/59/54/729345954.db2.gz DOZQDUNZTHZBCP-INIZCTEOSA-N 1 2 363.841 3.420 20 10 FGCDLO COc1ccc(OC)c2c1C[N@@H+](Cc1cc(Cl)c(C)cc1O)C[C@@H]2O ZINC000824534475 729345955 /nfs/dbraw/zinc/34/59/55/729345955.db2.gz DOZQDUNZTHZBCP-INIZCTEOSA-N 1 2 363.841 3.420 20 10 FGCDLO OC[C@]1(F)C[N@H+](Cc2c(O)ccc(Cl)c2F)C[C@@H]1c1ccccc1 ZINC000824637583 729352031 /nfs/dbraw/zinc/35/20/31/729352031.db2.gz YORGFURTOAUART-RDTXWAMCSA-N 1 2 353.796 3.485 20 10 FGCDLO OC[C@]1(F)C[N@@H+](Cc2c(O)ccc(Cl)c2F)C[C@@H]1c1ccccc1 ZINC000824637583 729352036 /nfs/dbraw/zinc/35/20/36/729352036.db2.gz YORGFURTOAUART-RDTXWAMCSA-N 1 2 353.796 3.485 20 10 FGCDLO Cc1cc(O)c(C[NH+]2CCN(C(=O)c3cccc(O)c3)CC2)cc1Cl ZINC000824688391 729355174 /nfs/dbraw/zinc/35/51/74/729355174.db2.gz GGSDJMRKQSHEHT-UHFFFAOYSA-N 1 2 360.841 3.018 20 10 FGCDLO Oc1cc(F)c(Cl)cc1C[N@H+](CCN1CCOCC1)Cc1ccco1 ZINC000825305101 729377782 /nfs/dbraw/zinc/37/77/82/729377782.db2.gz CXNIACVFMYORLU-UHFFFAOYSA-N 1 2 368.836 3.112 20 10 FGCDLO Oc1cc(F)c(Cl)cc1C[N@@H+](CCN1CCOCC1)Cc1ccco1 ZINC000825305101 729377784 /nfs/dbraw/zinc/37/77/84/729377784.db2.gz CXNIACVFMYORLU-UHFFFAOYSA-N 1 2 368.836 3.112 20 10 FGCDLO C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H](CC(F)(F)F)O1 ZINC000827789642 729434911 /nfs/dbraw/zinc/43/49/11/729434911.db2.gz XXJNWJNSCYIDBL-PBHICJAKSA-N 1 2 358.404 3.065 20 10 FGCDLO C[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H](CC(F)(F)F)O1 ZINC000827789642 729434912 /nfs/dbraw/zinc/43/49/12/729434912.db2.gz XXJNWJNSCYIDBL-PBHICJAKSA-N 1 2 358.404 3.065 20 10 FGCDLO Cc1cc(C(=O)C[N@H+]2CCCOC[C@H]2C)c(C)n1-c1ccc(Cl)cn1 ZINC000828428356 729443306 /nfs/dbraw/zinc/44/33/06/729443306.db2.gz KJNRGANIRBDCLT-CQSZACIVSA-N 1 2 361.873 3.436 20 10 FGCDLO Cc1cc(C(=O)C[N@@H+]2CCCOC[C@H]2C)c(C)n1-c1ccc(Cl)cn1 ZINC000828428356 729443307 /nfs/dbraw/zinc/44/33/07/729443307.db2.gz KJNRGANIRBDCLT-CQSZACIVSA-N 1 2 361.873 3.436 20 10 FGCDLO Cc1cncc(CC[NH2+][C@H](C)c2cc(Br)cc(F)c2O)n1 ZINC000850549950 731371890 /nfs/dbraw/zinc/37/18/90/731371890.db2.gz MJBXJQCRVKEEFH-SNVBAGLBSA-N 1 2 354.223 3.286 20 10 FGCDLO C[C@H]([NH2+]Cc1c(O)cccc1Br)c1nnc2n1CCCCC2 ZINC000858094832 732179997 /nfs/dbraw/zinc/17/99/97/732179997.db2.gz IEYNOKXNENJCGZ-NSHDSACASA-N 1 2 365.275 3.323 20 10 FGCDLO Cc1ccc(O)c(CNC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)c1 ZINC000862758837 732872669 /nfs/dbraw/zinc/87/26/69/732872669.db2.gz NJMISDQIMDAOKY-LJQANCHMSA-N 1 2 356.491 3.107 20 10 FGCDLO COCc1nc(C[NH2+]Cc2cc(Br)cc(F)c2O)cs1 ZINC000883122768 737526632 /nfs/dbraw/zinc/52/66/32/737526632.db2.gz ZEHFCMKCWDNNQI-UHFFFAOYSA-N 1 2 361.236 3.187 20 10 FGCDLO Oc1c(F)cc(F)cc1C[NH+]1CCC(Oc2cncc(Cl)n2)CC1 ZINC000894494273 742291317 /nfs/dbraw/zinc/29/13/17/742291317.db2.gz HHSJKKHSOOWZCW-UHFFFAOYSA-N 1 2 355.772 3.157 20 10 FGCDLO C[C@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)c1cc(F)cc(F)c1O ZINC000903478031 743854447 /nfs/dbraw/zinc/85/44/47/743854447.db2.gz JBDVODMARYTPNJ-WCBMZHEXSA-N 1 2 372.213 3.295 20 10 FGCDLO C[C@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)c1cc(F)cc(F)c1O ZINC000903478035 743854599 /nfs/dbraw/zinc/85/45/99/743854599.db2.gz JBDVODMARYTPNJ-WPRPVWTQSA-N 1 2 372.213 3.295 20 10 FGCDLO O=C(C1CC[NH+](Cc2cc(Br)ccc2O)CC1)C(F)(F)F ZINC000187657304 496524360 /nfs/dbraw/zinc/52/43/60/496524360.db2.gz PIDLLCPKUNKIHH-UHFFFAOYSA-N 1 2 366.177 3.498 20 10 FGCDLO C[C@@H]([NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(F)c(F)c1O ZINC000187808279 496579348 /nfs/dbraw/zinc/57/93/48/496579348.db2.gz YNCPCEQZUBVJLU-UKRRQHHQSA-N 1 2 360.404 3.370 20 10 FGCDLO C[C@H]([NH2+]Cc1ccc(N2CCOC2=O)cc1)c1cc([N+](=O)[O-])ccc1O ZINC000273493841 496821670 /nfs/dbraw/zinc/82/16/70/496821670.db2.gz XJGUWYBBJAVSPO-LBPRGKRZSA-N 1 2 357.366 3.108 20 10 FGCDLO Cc1nnc([C@@H](C)[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)s1 ZINC000274175553 497033524 /nfs/dbraw/zinc/03/35/24/497033524.db2.gz IDWHUJFZOXERPV-VXGBXAGGSA-N 1 2 350.463 3.234 20 10 FGCDLO C[C@@H](O)CCC[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000278837490 497237636 /nfs/dbraw/zinc/23/76/36/497237636.db2.gz AOIXCGFRCLMHDF-MRVPVSSYSA-N 1 2 367.081 3.168 20 10 FGCDLO COC(=O)/C=C/c1ccc(N2CCCC[C@@H]2c2[nH]cc[nH+]2)c([N+](=O)[O-])c1 ZINC000267309848 497522987 /nfs/dbraw/zinc/52/29/87/497522987.db2.gz WYANBBCAVKVCEK-PMGBHYCQSA-N 1 2 356.382 3.236 20 10 FGCDLO CC[NH+](CC)Cc1nc(C2(NCc3cc(F)ccc3O)CCCC2)no1 ZINC000272356844 497607248 /nfs/dbraw/zinc/60/72/48/497607248.db2.gz DWSVPGAHCILPCS-UHFFFAOYSA-N 1 2 362.449 3.315 20 10 FGCDLO COc1cc(O)c(C[NH2+][C@@H](c2ccn(C)n2)c2ccc(F)cc2)cc1OC ZINC000360036868 498237648 /nfs/dbraw/zinc/23/76/48/498237648.db2.gz AOTBLJAZBNVFEE-HXUWFJFHSA-N 1 2 371.412 3.161 20 10 FGCDLO CCOCc1nc([C@@H](C)[NH2+][C@@H](C)c2cc(Br)ccc2O)no1 ZINC000290051098 498408475 /nfs/dbraw/zinc/40/84/75/498408475.db2.gz FBMSIULVILMUGL-VHSXEESVSA-N 1 2 370.247 3.486 20 10 FGCDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000365428089 498461897 /nfs/dbraw/zinc/46/18/97/498461897.db2.gz LPLSQVTUXXLRCC-UHFFFAOYSA-N 1 2 367.497 3.161 20 10 FGCDLO CCCCN(Cc1ccccc1O)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000282702594 498618600 /nfs/dbraw/zinc/61/86/00/498618600.db2.gz GCBRPQKCTLYARW-UHFFFAOYSA-N 1 2 356.470 3.365 20 10 FGCDLO COc1ccc(C(=O)N(C)C2CC[NH+](c3ccc(OC)cc3)CC2)cc1 ZINC000363202927 498701727 /nfs/dbraw/zinc/70/17/27/498701727.db2.gz ZRIMEBVFGDVSEX-UHFFFAOYSA-N 1 2 354.450 3.445 20 10 FGCDLO COc1ccc(C[C@@](C)(O)C[NH2+]Cc2cccc(Cl)c2O)cc1OC ZINC000291011785 498755887 /nfs/dbraw/zinc/75/58/87/498755887.db2.gz WWRCHIWLFPNBQS-LJQANCHMSA-N 1 2 365.857 3.146 20 10 FGCDLO CC[C@@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1cccc(Cl)c1O ZINC000287547421 498794053 /nfs/dbraw/zinc/79/40/53/498794053.db2.gz FKBAVYJALBXJPG-VXGBXAGGSA-N 1 2 350.768 3.250 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)Nc3cccnc3OC)CC2)cc1 ZINC000363452912 498828892 /nfs/dbraw/zinc/82/88/92/498828892.db2.gz NVMZDGABMKNLPM-UHFFFAOYSA-N 1 2 370.453 3.232 20 10 FGCDLO CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)cc1F ZINC000366825591 499086588 /nfs/dbraw/zinc/08/65/88/499086588.db2.gz HSOZAZWVDLGGLH-MRXNPFEDSA-N 1 2 373.476 3.105 20 10 FGCDLO CCOc1ccc(O)c(C[N@@H+]2C[C@@H](OC)C[C@@H]2c2nc(C3CC3)no2)c1 ZINC000372536287 499142236 /nfs/dbraw/zinc/14/22/36/499142236.db2.gz CCFVMHHOTJNFLF-JKSUJKDBSA-N 1 2 359.426 3.013 20 10 FGCDLO CCOc1ccc(O)c(C[N@H+]2C[C@@H](OC)C[C@@H]2c2nc(C3CC3)no2)c1 ZINC000372536287 499142237 /nfs/dbraw/zinc/14/22/37/499142237.db2.gz CCFVMHHOTJNFLF-JKSUJKDBSA-N 1 2 359.426 3.013 20 10 FGCDLO CC[C@@H]1C[C@@H](C(=O)N(C)C2CC[NH+](c3ccc(OC)cc3)CC2)CCO1 ZINC000371595044 499345733 /nfs/dbraw/zinc/34/57/33/499345733.db2.gz AXPYLUXCSAYEHB-QFBILLFUSA-N 1 2 360.498 3.328 20 10 FGCDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1cc(C)n(-c3ccccn3)c1C)CCC2 ZINC000378247693 499494295 /nfs/dbraw/zinc/49/42/95/499494295.db2.gz YLZPRSJPODTAQE-KRWDZBQOSA-N 1 2 363.465 3.301 20 10 FGCDLO COc1cc(Br)cc(CN2CCC[C@@H]2c2[nH]cc[nH+]2)c1O ZINC000375354996 499510122 /nfs/dbraw/zinc/51/01/22/499510122.db2.gz VIQKRXMMYLUJHT-GFCCVEGCSA-N 1 2 352.232 3.224 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)[C@H]3CCC(=O)C[C@@H]3C)CC2)cc1 ZINC000378462752 499519785 /nfs/dbraw/zinc/51/97/85/499519785.db2.gz OGQMCCRJLKEHHX-YWZLYKJASA-N 1 2 358.482 3.128 20 10 FGCDLO COc1c(O)c(C[NH2+][C@H](C)c2nccn2-c2ccccc2)ccc1[N+](=O)[O-] ZINC000377868121 499743434 /nfs/dbraw/zinc/74/34/34/499743434.db2.gz FWDYUUXMZVXMMV-CYBMUJFWSA-N 1 2 368.393 3.346 20 10 FGCDLO Cc1cc(C(=O)NCCc2c[nH+]cn2C)c(C)n1-c1ccc(Cl)cc1 ZINC000121530188 700674434 /nfs/dbraw/zinc/67/44/34/700674434.db2.gz FWXJRJAHRPYCOT-UHFFFAOYSA-N 1 2 356.857 3.454 20 10 FGCDLO COc1ccc([C@@H](CO)[N@H+](C)Cc2cc(Cl)cc(C(C)=O)c2O)cc1 ZINC000177168767 705610104 /nfs/dbraw/zinc/61/01/04/705610104.db2.gz BGIOWVYRHZXKMC-GOSISDBHSA-N 1 2 363.841 3.422 20 10 FGCDLO COc1ccc([C@@H](CO)[N@@H+](C)Cc2cc(Cl)cc(C(C)=O)c2O)cc1 ZINC000177168767 705610112 /nfs/dbraw/zinc/61/01/12/705610112.db2.gz BGIOWVYRHZXKMC-GOSISDBHSA-N 1 2 363.841 3.422 20 10 FGCDLO C[C@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1cccc(Br)c1O ZINC000227688775 713573424 /nfs/dbraw/zinc/57/34/24/713573424.db2.gz HFELNJCRDRDXPK-SNVBAGLBSA-N 1 2 359.264 3.158 20 10 FGCDLO C[C@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1cc(F)cc(F)c1O ZINC000756635645 722968041 /nfs/dbraw/zinc/96/80/41/722968041.db2.gz SIBWMDKCCWGLLD-NSHDSACASA-N 1 2 355.406 3.066 20 10 FGCDLO CCOC(=O)N[C@H]1CCC[N@H+](Cc2cc(C)cc(Br)c2O)C1 ZINC000781895527 724608611 /nfs/dbraw/zinc/60/86/11/724608611.db2.gz BEFHMYJEEOQXBK-ZDUSSCGKSA-N 1 2 371.275 3.174 20 10 FGCDLO C[C@H](C[C@H](C)O)[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000783602134 724770636 /nfs/dbraw/zinc/77/06/36/724770636.db2.gz FZCSDILRXITPCG-SFYZADRCSA-N 1 2 367.081 3.166 20 10 FGCDLO C[C@H](C[S@](C)=O)[N@H+](C)Cc1cc(Cl)cc(Br)c1O ZINC000708075934 722412586 /nfs/dbraw/zinc/41/25/86/722412586.db2.gz QQGKWPHKGIXASF-CVJBHZAOSA-N 1 2 354.697 3.007 20 10 FGCDLO C[C@H](C[S@](C)=O)[N@@H+](C)Cc1cc(Cl)cc(Br)c1O ZINC000708075934 722412587 /nfs/dbraw/zinc/41/25/87/722412587.db2.gz QQGKWPHKGIXASF-CVJBHZAOSA-N 1 2 354.697 3.007 20 10 FGCDLO CNC(=O)C1CCC([NH2+][C@H](C)c2cc(Br)c(F)cc2O)CC1 ZINC000756489972 722965481 /nfs/dbraw/zinc/96/54/81/722965481.db2.gz RHEBCAMQXABQGS-KPPDAEKUSA-N 1 2 373.266 3.249 20 10 FGCDLO CC(=O)N1CCC(C[NH2+][C@H](C)c2cc(Br)c(F)cc2O)CC1 ZINC000756544177 722966555 /nfs/dbraw/zinc/96/65/55/722966555.db2.gz SXKDXPMEYNMEAW-SNVBAGLBSA-N 1 2 373.266 3.203 20 10 FGCDLO C[C@H]([NH2+][C@H]1CN(C2CC2)C[C@@H]1C)c1cc(Br)cc(F)c1O ZINC000756645826 722968163 /nfs/dbraw/zinc/96/81/63/722968163.db2.gz IYEGNEQNHPKVKL-YHAQOWFVSA-N 1 2 357.267 3.427 20 10 FGCDLO C[C@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)c1cc(Br)c(F)cc1O ZINC000756647830 722968219 /nfs/dbraw/zinc/96/82/19/722968219.db2.gz VPMJGSVWNODCAJ-WCBMZHEXSA-N 1 2 354.223 3.225 20 10 FGCDLO COC[C@H](C[NH2+][C@H](C)c1cc(Br)cc(Cl)c1O)OC ZINC000757639161 722977818 /nfs/dbraw/zinc/97/78/18/722977818.db2.gz NQWAIPQYIGATSN-SCZZXKLOSA-N 1 2 352.656 3.120 20 10 FGCDLO COc1cc(Cl)cc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c1O ZINC000761194001 723131958 /nfs/dbraw/zinc/13/19/58/723131958.db2.gz PISIRJNCAZXWLH-LBPRGKRZSA-N 1 2 370.877 3.495 20 10 FGCDLO COc1cc(Cl)cc(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c1O ZINC000761194001 723131960 /nfs/dbraw/zinc/13/19/60/723131960.db2.gz PISIRJNCAZXWLH-LBPRGKRZSA-N 1 2 370.877 3.495 20 10 FGCDLO COC(=O)C[N@H+](CC[C@@H](O)c1ccccc1)Cc1cc(Cl)ccc1O ZINC000795958057 723615646 /nfs/dbraw/zinc/61/56/46/723615646.db2.gz VTQNFNWHOOOQPN-GOSISDBHSA-N 1 2 363.841 3.144 20 10 FGCDLO COC(=O)C[N@@H+](CC[C@@H](O)c1ccccc1)Cc1cc(Cl)ccc1O ZINC000795958057 723615648 /nfs/dbraw/zinc/61/56/48/723615648.db2.gz VTQNFNWHOOOQPN-GOSISDBHSA-N 1 2 363.841 3.144 20 10 FGCDLO Cn1c(Cl)cnc1CN[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000799335777 724013841 /nfs/dbraw/zinc/01/38/41/724013841.db2.gz CXUHUAIIFZOGRJ-AWEZNQCLSA-N 1 2 369.296 3.187 20 10 FGCDLO Cn1c(Cl)cnc1CN[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000799335777 724013844 /nfs/dbraw/zinc/01/38/44/724013844.db2.gz CXUHUAIIFZOGRJ-AWEZNQCLSA-N 1 2 369.296 3.187 20 10 FGCDLO C[N@H+](Cc1cc(Br)cc(Br)c1O)[C@H]1CCOC1 ZINC000775676925 724022272 /nfs/dbraw/zinc/02/22/72/724022272.db2.gz BINFPBLUEYWQHR-JTQLQIEISA-N 1 2 365.065 3.138 20 10 FGCDLO C[N@@H+](Cc1cc(Br)cc(Br)c1O)[C@H]1CCOC1 ZINC000775676925 724022275 /nfs/dbraw/zinc/02/22/75/724022275.db2.gz BINFPBLUEYWQHR-JTQLQIEISA-N 1 2 365.065 3.138 20 10 FGCDLO NC(=O)C1(c2ccccc2)CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000775702665 724027701 /nfs/dbraw/zinc/02/77/01/724027701.db2.gz USWIXVXELKIPQR-UHFFFAOYSA-N 1 2 362.832 3.204 20 10 FGCDLO O=C(CC(F)(F)F)NC[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000809689973 725259019 /nfs/dbraw/zinc/25/90/19/725259019.db2.gz GKWYJIPTKWCZQU-LLVKDONJSA-N 1 2 364.795 3.326 20 10 FGCDLO O=C(CC(F)(F)F)NC[C@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000809689973 725259020 /nfs/dbraw/zinc/25/90/20/725259020.db2.gz GKWYJIPTKWCZQU-LLVKDONJSA-N 1 2 364.795 3.326 20 10 FGCDLO Cc1nsc(N2CCC[N@H+](Cc3cc(Cl)c(F)cc3O)CC2)n1 ZINC000816516251 727170554 /nfs/dbraw/zinc/17/05/54/727170554.db2.gz YYKZVJPSPXUPIG-UHFFFAOYSA-N 1 2 356.854 3.057 20 10 FGCDLO Cc1nsc(N2CCC[N@@H+](Cc3cc(Cl)c(F)cc3O)CC2)n1 ZINC000816516251 727170558 /nfs/dbraw/zinc/17/05/58/727170558.db2.gz YYKZVJPSPXUPIG-UHFFFAOYSA-N 1 2 356.854 3.057 20 10 FGCDLO COc1cc(Br)cc(C[N@@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)c1O ZINC000816666923 727187598 /nfs/dbraw/zinc/18/75/98/727187598.db2.gz YIIHCYGVLOCXMN-IRXDYDNUSA-N 1 2 368.271 3.307 20 10 FGCDLO COc1cc(Br)cc(C[N@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)c1O ZINC000816666923 727187602 /nfs/dbraw/zinc/18/76/02/727187602.db2.gz YIIHCYGVLOCXMN-IRXDYDNUSA-N 1 2 368.271 3.307 20 10 FGCDLO CC(C)C[C@@H](C(=O)NCc1cccc(Br)c1O)n1cc[nH+]c1 ZINC000822459030 729177375 /nfs/dbraw/zinc/17/73/75/729177375.db2.gz NPEBITDLQFPMJD-AWEZNQCLSA-N 1 2 366.259 3.255 20 10 FGCDLO COC(=O)[C@H]([NH2+]Cc1cc(Cl)c(C)cc1O)[C@@H]1CCC[C@@H](OC)C1 ZINC000826143423 729405897 /nfs/dbraw/zinc/40/58/97/729405897.db2.gz ZDMRFWXPTFIFGE-SUYBPPKGSA-N 1 2 355.862 3.190 20 10 FGCDLO CC1(C)Cc2n[nH]cc2C[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000828014243 729438449 /nfs/dbraw/zinc/43/84/49/729438449.db2.gz YHPSXVWLIHJVOL-UHFFFAOYSA-N 1 2 350.260 3.462 20 10 FGCDLO CC1(C)Cc2n[nH]cc2C[N@H+](Cc2cccc(Br)c2O)C1 ZINC000828014243 729438450 /nfs/dbraw/zinc/43/84/50/729438450.db2.gz YHPSXVWLIHJVOL-UHFFFAOYSA-N 1 2 350.260 3.462 20 10 FGCDLO C[C@@H]([NH2+][C@@H]1CCCC(F)(F)[C@H]1O)c1cc(Br)cc(F)c1O ZINC000840886949 730188485 /nfs/dbraw/zinc/18/84/85/730188485.db2.gz OVXCLFZGKUDWKR-QUUYKZCZSA-N 1 2 368.193 3.493 20 10 FGCDLO OC[C@@H](C[NH2+]Cc1cccc(Br)c1O)c1ccc(F)cc1 ZINC000840962828 730198445 /nfs/dbraw/zinc/19/84/45/730198445.db2.gz JYTPIBOAXQRNMA-CYBMUJFWSA-N 1 2 354.219 3.160 20 10 FGCDLO COc1cc(Br)cc(C[N@H+](C)[C@H](C)c2nc(C)no2)c1O ZINC000848926344 731221474 /nfs/dbraw/zinc/22/14/74/731221474.db2.gz VKRQVGWYBYTZFR-MRVPVSSYSA-N 1 2 356.220 3.048 20 10 FGCDLO COc1cc(Br)cc(C[N@@H+](C)[C@H](C)c2nc(C)no2)c1O ZINC000848926344 731221476 /nfs/dbraw/zinc/22/14/76/731221476.db2.gz VKRQVGWYBYTZFR-MRVPVSSYSA-N 1 2 356.220 3.048 20 10 FGCDLO Cc1cc(C(=O)C[N@@H+](C)CC2=CCSC2)c(C)n1-c1ccc(F)cn1 ZINC000852747268 731629535 /nfs/dbraw/zinc/62/95/35/731629535.db2.gz BHOPSTPGTYNQFK-UHFFFAOYSA-N 1 2 359.470 3.416 20 10 FGCDLO Cc1cc(C(=O)C[N@H+](C)CC2=CCSC2)c(C)n1-c1ccc(F)cn1 ZINC000852747268 731629537 /nfs/dbraw/zinc/62/95/37/731629537.db2.gz BHOPSTPGTYNQFK-UHFFFAOYSA-N 1 2 359.470 3.416 20 10 FGCDLO CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000858469130 732217684 /nfs/dbraw/zinc/21/76/84/732217684.db2.gz QWEPZTFLATVCHS-KGLIPLIRSA-N 1 2 374.312 3.080 20 10 FGCDLO CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000858469130 732217688 /nfs/dbraw/zinc/21/76/88/732217688.db2.gz QWEPZTFLATVCHS-KGLIPLIRSA-N 1 2 374.312 3.080 20 10 FGCDLO CN(C)c1cc(F)c(C[N@@H+]2CCCN(Cc3cscn3)CC2)cc1F ZINC000862239219 732795039 /nfs/dbraw/zinc/79/50/39/732795039.db2.gz ZERXGAXAMFQNQO-UHFFFAOYSA-N 1 2 366.481 3.195 20 10 FGCDLO CN(C)c1cc(F)c(C[N@H+]2CCCN(Cc3cscn3)CC2)cc1F ZINC000862239219 732795041 /nfs/dbraw/zinc/79/50/41/732795041.db2.gz ZERXGAXAMFQNQO-UHFFFAOYSA-N 1 2 366.481 3.195 20 10 FGCDLO C[C@H]([NH2+]CCC[C@H]1CCOC1=O)c1cc(Br)c(F)cc1O ZINC000872113624 735590378 /nfs/dbraw/zinc/59/03/78/735590378.db2.gz PLUJGWGBJYMZOB-UWVGGRQHSA-N 1 2 360.223 3.288 20 10 FGCDLO COC(=O)c1cnc(C2CC[NH+](Cc3ccc(F)c(F)c3O)CC2)s1 ZINC000877652737 736699900 /nfs/dbraw/zinc/69/99/00/736699900.db2.gz NEGXKYVGIAUGDQ-UHFFFAOYSA-N 1 2 368.405 3.293 20 10 FGCDLO Oc1c(Br)cc(Cl)cc1C[N@@H+]1CC[C@@H](C2OCCO2)C1 ZINC000896378852 742541893 /nfs/dbraw/zinc/54/18/93/742541893.db2.gz VCXKJWQPTZBQER-SECBINFHSA-N 1 2 362.651 3.003 20 10 FGCDLO Oc1c(Br)cc(Cl)cc1C[N@H+]1CC[C@@H](C2OCCO2)C1 ZINC000896378852 742541894 /nfs/dbraw/zinc/54/18/94/742541894.db2.gz VCXKJWQPTZBQER-SECBINFHSA-N 1 2 362.651 3.003 20 10 FGCDLO C[C@@H]([NH2+]Cc1nnc2n1CCCC2)c1cc(Br)cc(F)c1O ZINC000183846210 496134861 /nfs/dbraw/zinc/13/48/61/496134861.db2.gz XPOYWRPJGLGERN-SECBINFHSA-N 1 2 369.238 3.072 20 10 FGCDLO C[C@H]([NH2+][C@H](CN1CCCC1=O)c1ccccc1)c1cc([N+](=O)[O-])ccc1O ZINC000273302356 496768221 /nfs/dbraw/zinc/76/82/21/496768221.db2.gz BSRXVCNTPAZQEA-KBXCAEBGSA-N 1 2 369.421 3.315 20 10 FGCDLO C[C@H]([NH2+][C@H](CN1CCOCC1)c1ccccc1)c1cc([N+](=O)[O-])ccc1O ZINC000273387166 496791798 /nfs/dbraw/zinc/79/17/98/496791798.db2.gz JWPMHTVQOLFNIA-HNAYVOBHSA-N 1 2 371.437 3.025 20 10 FGCDLO CN(c1ccc(CNC(=O)NCc2[nH+]ccn2C)cc1)C1CCCCC1 ZINC000264256448 496853284 /nfs/dbraw/zinc/85/32/84/496853284.db2.gz ZVAMQJCRZMJWOH-UHFFFAOYSA-N 1 2 355.486 3.188 20 10 FGCDLO C[C@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1ccc(F)c(F)c1O ZINC000276907890 497684291 /nfs/dbraw/zinc/68/42/91/497684291.db2.gz KEOMZFLFHNVLJA-NSHDSACASA-N 1 2 355.406 3.066 20 10 FGCDLO CC[C@H]([NH2+]CC1(OCCOC)CCOCC1)c1cccc(Cl)c1O ZINC000296615617 498122092 /nfs/dbraw/zinc/12/20/92/498122092.db2.gz WMUWOPZPJIXUAU-INIZCTEOSA-N 1 2 357.878 3.299 20 10 FGCDLO C[C@H]([NH2+]Cc1ccncc1OCC(F)(F)F)c1cc([N+](=O)[O-])ccc1O ZINC000281660766 498228643 /nfs/dbraw/zinc/22/86/43/498228643.db2.gz QFQGCCKGPGJDMK-JTQLQIEISA-N 1 2 371.315 3.487 20 10 FGCDLO COc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2c2nnc([C@H]3CCCO3)o2)c1 ZINC000289786953 498292886 /nfs/dbraw/zinc/29/28/86/498292886.db2.gz LMWGOXKPVDEXIN-NVXWUHKLSA-N 1 2 359.426 3.363 20 10 FGCDLO COc1ccc(O)c(C[N@H+]2CCCC[C@@H]2c2nnc([C@H]3CCCO3)o2)c1 ZINC000289786953 498292893 /nfs/dbraw/zinc/29/28/93/498292893.db2.gz LMWGOXKPVDEXIN-NVXWUHKLSA-N 1 2 359.426 3.363 20 10 FGCDLO O=C(Nc1ccn2cc[nH+]c2c1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000290035766 498403812 /nfs/dbraw/zinc/40/38/12/498403812.db2.gz BEPSLDONFDUCAG-QGZVFWFLSA-N 1 2 366.421 3.253 20 10 FGCDLO OCC1CCN(c2ccc(C[NH2+]Cc3c(F)ccc(O)c3F)cc2)CC1 ZINC000294164727 498608345 /nfs/dbraw/zinc/60/83/45/498608345.db2.gz IULSOENFBDJBIK-UHFFFAOYSA-N 1 2 362.420 3.169 20 10 FGCDLO COc1cc(Cl)cc(C[NH2+][C@@H](C)c2noc(COC(C)C)n2)c1O ZINC000290842783 498697844 /nfs/dbraw/zinc/69/78/44/498697844.db2.gz IKMADBSFASFMNT-JTQLQIEISA-N 1 2 355.822 3.213 20 10 FGCDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000367032733 499136824 /nfs/dbraw/zinc/13/68/24/499136824.db2.gz CGXGNCUKIPMUOE-YLJYHZDGSA-N 1 2 364.493 3.071 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)NC[C@@H]3CCCS3)CC2)cc1 ZINC000370407798 499217690 /nfs/dbraw/zinc/21/76/90/499217690.db2.gz VWJPLOIBUZZNBA-SFHVURJKSA-N 1 2 363.527 3.201 20 10 FGCDLO CC(C)Cn1cc[nH+]c1CNC(=O)N1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000371987891 499387408 /nfs/dbraw/zinc/38/74/08/499387408.db2.gz YGGHZULFADMPPF-UHFFFAOYSA-N 1 2 367.497 3.214 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)C[C@@H]3CCC(=O)[C@H]3C)CC2)cc1 ZINC000373476242 499472102 /nfs/dbraw/zinc/47/21/02/499472102.db2.gz VGBGXOQRAVLIBM-HOTGVXAUSA-N 1 2 358.482 3.128 20 10 FGCDLO Cc1c2ccccc2n(C)c1CNC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000471622538 502091662 /nfs/dbraw/zinc/09/16/62/502091662.db2.gz ZLQYPZRYZMXPHM-UHFFFAOYSA-N 1 2 361.449 3.176 20 10 FGCDLO COc1ccc(O)c(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)c1 ZINC000528861031 504420592 /nfs/dbraw/zinc/42/05/92/504420592.db2.gz IUUQWKMHGGGOBF-SFHVURJKSA-N 1 2 374.868 3.335 20 10 FGCDLO COc1ccc(O)c(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)c1 ZINC000528861031 504420596 /nfs/dbraw/zinc/42/05/96/504420596.db2.gz IUUQWKMHGGGOBF-SFHVURJKSA-N 1 2 374.868 3.335 20 10 FGCDLO C[N@@H+]1CCCC[C@H]1CN1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1 ZINC000093147548 700447515 /nfs/dbraw/zinc/44/75/15/700447515.db2.gz UOTOIICFWVIOSC-INIZCTEOSA-N 1 2 372.340 3.301 20 10 FGCDLO C[N@H+]1CCCC[C@H]1CN1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1 ZINC000093147548 700447517 /nfs/dbraw/zinc/44/75/17/700447517.db2.gz UOTOIICFWVIOSC-INIZCTEOSA-N 1 2 372.340 3.301 20 10 FGCDLO CC[N@H+](Cc1nnc(C)n1C1CC1)Cc1cc(Br)ccc1O ZINC000174424423 705504018 /nfs/dbraw/zinc/50/40/18/705504018.db2.gz BNDUAXYRMUWITO-UHFFFAOYSA-N 1 2 365.275 3.412 20 10 FGCDLO CC[N@@H+](Cc1nnc(C)n1C1CC1)Cc1cc(Br)ccc1O ZINC000174424423 705504019 /nfs/dbraw/zinc/50/40/19/705504019.db2.gz BNDUAXYRMUWITO-UHFFFAOYSA-N 1 2 365.275 3.412 20 10 FGCDLO CO[C@@H](C)C[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000191204757 712832061 /nfs/dbraw/zinc/83/20/61/712832061.db2.gz ZMXKJTWNDWNVQB-ZETCQYMHSA-N 1 2 353.054 3.042 20 10 FGCDLO C[C@@H]([NH2+][C@@H](CO)CC(F)F)c1cc(Br)cc(Cl)c1O ZINC000760052243 723035670 /nfs/dbraw/zinc/03/56/70/723035670.db2.gz QSRGMVXDYZXUSS-HTRCEHHLSA-N 1 2 358.610 3.475 20 10 FGCDLO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3cc(C)cc(Br)c3O)[C@H]2C1 ZINC000781913173 724611792 /nfs/dbraw/zinc/61/17/92/724611792.db2.gz ZWQRHYSSXGNPKK-VNQPRFMTSA-N 1 2 370.287 3.231 20 10 FGCDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3cc(C)cc(Br)c3O)[C@H]2C1 ZINC000781913173 724611794 /nfs/dbraw/zinc/61/17/94/724611794.db2.gz ZWQRHYSSXGNPKK-VNQPRFMTSA-N 1 2 370.287 3.231 20 10 FGCDLO CCOC(=O)[C@@H](C)[N@@H+](Cc1cc(C)cc(Br)c1O)C1CC1 ZINC000787442137 725028565 /nfs/dbraw/zinc/02/85/65/725028565.db2.gz TYKMILGHSHNLJD-LLVKDONJSA-N 1 2 356.260 3.379 20 10 FGCDLO C[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1O)c1cccc(NS(C)(=O)=O)c1 ZINC000756495493 722965610 /nfs/dbraw/zinc/96/56/10/722965610.db2.gz RSBMGRHQARAQBF-QWRGUYRKSA-N 1 2 370.421 3.454 20 10 FGCDLO C[C@H](CC[S@@](C)=O)[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000756743941 722969438 /nfs/dbraw/zinc/96/94/38/722969438.db2.gz XVXPMVNACLXEPX-IXGDSRDXSA-N 1 2 352.269 3.102 20 10 FGCDLO C[C@@H]([NH2+]CC1(C)OCCO1)c1cc(Br)cc(Cl)c1O ZINC000756780881 722969986 /nfs/dbraw/zinc/96/99/86/722969986.db2.gz XQPCJHNYSDMHCG-MRVPVSSYSA-N 1 2 350.640 3.222 20 10 FGCDLO NC(=O)[C@@H](C[NH2+]Cc1cc(Cl)cc(F)c1O)Cc1ccccc1Cl ZINC000757907243 722981123 /nfs/dbraw/zinc/98/11/23/722981123.db2.gz QEPXLKBQVGJZQW-GFCCVEGCSA-N 1 2 371.239 3.272 20 10 FGCDLO C[C@@H]([NH2+]C[C@@H](CO)Cc1ccc(F)c(F)c1)c1cc(F)cc(F)c1O ZINC000790734596 723171340 /nfs/dbraw/zinc/17/13/40/723171340.db2.gz AGXIILUOBFHPLM-PWSUYJOCSA-N 1 2 357.347 3.450 20 10 FGCDLO Cc1cc(Br)c(O)c(C[N@H+]2C[C@H](C)OC3(CCOCC3)C2)c1 ZINC000790932451 723195366 /nfs/dbraw/zinc/19/53/66/723195366.db2.gz QDMJNDPQXLEHJJ-ZDUSSCGKSA-N 1 2 370.287 3.233 20 10 FGCDLO Cc1cc(Br)c(O)c(C[N@@H+]2C[C@H](C)OC3(CCOCC3)C2)c1 ZINC000790932451 723195370 /nfs/dbraw/zinc/19/53/70/723195370.db2.gz QDMJNDPQXLEHJJ-ZDUSSCGKSA-N 1 2 370.287 3.233 20 10 FGCDLO CN(C)c1ccc(C[N@@H+]2CCO[C@H]([C@H]3CCCO3)C2)c(C(F)(F)F)c1 ZINC000792839954 723373318 /nfs/dbraw/zinc/37/33/18/723373318.db2.gz RACNMZQTHAMIES-SJORKVTESA-N 1 2 358.404 3.151 20 10 FGCDLO CN(C)c1ccc(C[N@H+]2CCO[C@H]([C@H]3CCCO3)C2)c(C(F)(F)F)c1 ZINC000792839954 723373321 /nfs/dbraw/zinc/37/33/21/723373321.db2.gz RACNMZQTHAMIES-SJORKVTESA-N 1 2 358.404 3.151 20 10 FGCDLO C[C@@H]([NH2+][C@H](C(N)=O)c1cccc(Br)c1)c1ccc(F)cc1O ZINC000794826553 723548014 /nfs/dbraw/zinc/54/80/14/723548014.db2.gz CJUDXMJUUYMREO-PSLIRLAXSA-N 1 2 367.218 3.171 20 10 FGCDLO C[C@@H]1C[N@H+](Cc2cccc(Br)c2O)C[C@]2(CCO[C@H](C)C2)O1 ZINC000797605685 723841341 /nfs/dbraw/zinc/84/13/41/723841341.db2.gz UPXAEMNPRMDXFS-PBFPGSCMSA-N 1 2 370.287 3.313 20 10 FGCDLO C[C@@H]1C[N@@H+](Cc2cccc(Br)c2O)C[C@]2(CCO[C@H](C)C2)O1 ZINC000797605685 723841350 /nfs/dbraw/zinc/84/13/50/723841350.db2.gz UPXAEMNPRMDXFS-PBFPGSCMSA-N 1 2 370.287 3.313 20 10 FGCDLO Cc1cc(Br)c(O)c(C[NH2+]Cc2ncnn2C(C)(C)C)c1 ZINC000800293845 724176380 /nfs/dbraw/zinc/17/63/80/724176380.db2.gz MVEPUXOQQQUYSR-UHFFFAOYSA-N 1 2 353.264 3.099 20 10 FGCDLO O=C(/C=C\c1ccccc1)NCCC[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000800544717 724211327 /nfs/dbraw/zinc/21/13/27/724211327.db2.gz NRKHBMMJAFXXRL-FPLPWBNLSA-N 1 2 362.832 3.494 20 10 FGCDLO C[C@H]1CCCN(c2ccc(CNC(=O)Cc3c[nH+]cn3C)cc2Cl)C1 ZINC000800571272 724214056 /nfs/dbraw/zinc/21/40/56/724214056.db2.gz HQRXQXVEPDJROX-AWEZNQCLSA-N 1 2 360.889 3.169 20 10 FGCDLO CCOC(=O)[C@@H](C)[N@H+](Cc1cc(C)cc(Br)c1O)C1CC1 ZINC000787442137 725028564 /nfs/dbraw/zinc/02/85/64/725028564.db2.gz TYKMILGHSHNLJD-LLVKDONJSA-N 1 2 356.260 3.379 20 10 FGCDLO COc1cc(Br)cc(C[NH2+]Cc2nccc(C(F)F)n2)c1O ZINC000808435525 725200937 /nfs/dbraw/zinc/20/09/37/725200937.db2.gz OCAMEBVIZSPTIU-UHFFFAOYSA-N 1 2 374.185 3.181 20 10 FGCDLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2cc(Cl)cc(C(C)=O)c2O)s1 ZINC000823455672 729282023 /nfs/dbraw/zinc/28/20/23/729282023.db2.gz LOTZKNVIQQIVSC-QMMMGPOBSA-N 1 2 368.842 3.342 20 10 FGCDLO OC[C@]1(F)C[N@H+](Cc2c(O)ccc(Cl)c2F)C[C@H]1c1ccccc1 ZINC000824637580 729352113 /nfs/dbraw/zinc/35/21/13/729352113.db2.gz YORGFURTOAUART-KBXCAEBGSA-N 1 2 353.796 3.485 20 10 FGCDLO OC[C@]1(F)C[N@@H+](Cc2c(O)ccc(Cl)c2F)C[C@H]1c1ccccc1 ZINC000824637580 729352115 /nfs/dbraw/zinc/35/21/15/729352115.db2.gz YORGFURTOAUART-KBXCAEBGSA-N 1 2 353.796 3.485 20 10 FGCDLO C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H](CC(F)(F)F)O1 ZINC000827789662 729434954 /nfs/dbraw/zinc/43/49/54/729434954.db2.gz XXJNWJNSCYIDBL-YOEHRIQHSA-N 1 2 358.404 3.065 20 10 FGCDLO C[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H](CC(F)(F)F)O1 ZINC000827789662 729434955 /nfs/dbraw/zinc/43/49/55/729434955.db2.gz XXJNWJNSCYIDBL-YOEHRIQHSA-N 1 2 358.404 3.065 20 10 FGCDLO Cc1cc(O)c(C[NH+]2CCN(C(=O)c3ccccc3O)CC2)c(Cl)c1 ZINC000840911361 730190147 /nfs/dbraw/zinc/19/01/47/730190147.db2.gz XTXMCEDJXSZYTI-UHFFFAOYSA-N 1 2 360.841 3.018 20 10 FGCDLO COc1cccc([C@H](C)[NH2+]CC(F)(F)CNC(=O)OC(C)(C)C)c1O ZINC000846165091 730932979 /nfs/dbraw/zinc/93/29/79/730932979.db2.gz SANBCUPVGFACJR-NSHDSACASA-N 1 2 360.401 3.211 20 10 FGCDLO COC(=O)c1nc(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)ccc1Cl ZINC000862410038 732828102 /nfs/dbraw/zinc/82/81/02/732828102.db2.gz JXIOUVDBDJMZME-UHFFFAOYSA-N 1 2 369.799 3.156 20 10 FGCDLO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000877167902 736194207 /nfs/dbraw/zinc/19/42/07/736194207.db2.gz MLKVDSBTYSOIBS-VXGBXAGGSA-N 1 2 356.413 3.406 20 10 FGCDLO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000877167902 736194212 /nfs/dbraw/zinc/19/42/12/736194212.db2.gz MLKVDSBTYSOIBS-VXGBXAGGSA-N 1 2 356.413 3.406 20 10 FGCDLO CC(C)Cn1ccnc1C[NH2+]Cc1cc(Br)cc(F)c1O ZINC000883017552 737512126 /nfs/dbraw/zinc/51/21/26/737512126.db2.gz QHXMKYIUMCAELO-UHFFFAOYSA-N 1 2 356.239 3.436 20 10 FGCDLO O=C1[C@@H]([NH2+]Cc2cc(Cl)cc(Br)c2O)C[C@H]2CCCCN12 ZINC000883140191 737528679 /nfs/dbraw/zinc/52/86/79/737528679.db2.gz LXCDSBFLGFTRDJ-YPMHNXCESA-N 1 2 373.678 3.051 20 10 FGCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCCSC[C@@H]2c2cnn(C)c2)c1O ZINC000933986498 761518178 /nfs/dbraw/zinc/51/81/78/761518178.db2.gz SUXPBTRMSGDYLB-QGZVFWFLSA-N 1 2 363.458 3.148 20 10 FGCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCCSC[C@@H]2c2cnn(C)c2)c1O ZINC000933986498 761518181 /nfs/dbraw/zinc/51/81/81/761518181.db2.gz SUXPBTRMSGDYLB-QGZVFWFLSA-N 1 2 363.458 3.148 20 10 FGCDLO COc1ccc(N2CC[NH+](Cc3nnc(-c4ccccc4)o3)CC2)cc1F ZINC000084866202 494101800 /nfs/dbraw/zinc/10/18/00/494101800.db2.gz FEIFJEFKFGDENX-UHFFFAOYSA-N 1 2 368.412 3.207 20 10 FGCDLO Oc1c(Cl)cc(Cl)cc1CN1CCC[N@@H+](C2CCOCC2)CC1 ZINC000093527774 494897191 /nfs/dbraw/zinc/89/71/91/494897191.db2.gz QDPSHBHENYPGSY-UHFFFAOYSA-N 1 2 359.297 3.386 20 10 FGCDLO Oc1c(Cl)cc(Cl)cc1CN1CCC[N@H+](C2CCOCC2)CC1 ZINC000093527774 494897197 /nfs/dbraw/zinc/89/71/97/494897197.db2.gz QDPSHBHENYPGSY-UHFFFAOYSA-N 1 2 359.297 3.386 20 10 FGCDLO COc1ccc2[nH]cc(C3=CCN(c4[nH+]cnc5c4cnn5C)CC3)c2c1 ZINC000171852048 496063635 /nfs/dbraw/zinc/06/36/35/496063635.db2.gz QRECSLFDDGXZBE-UHFFFAOYSA-N 1 2 360.421 3.147 20 10 FGCDLO c1csc([C@H]2CSCC[N@H+]2Cc2ccc(N3CCOCC3)cc2)n1 ZINC000186649554 496089934 /nfs/dbraw/zinc/08/99/34/496089934.db2.gz IHMFDYVHXITHTA-QGZVFWFLSA-N 1 2 361.536 3.270 20 10 FGCDLO c1csc([C@H]2CSCC[N@@H+]2Cc2ccc(N3CCOCC3)cc2)n1 ZINC000186649554 496089940 /nfs/dbraw/zinc/08/99/40/496089940.db2.gz IHMFDYVHXITHTA-QGZVFWFLSA-N 1 2 361.536 3.270 20 10 FGCDLO C[C@@H]([NH2+]Cc1cccc(N2CCCC2=O)c1)c1cc([N+](=O)[O-])ccc1O ZINC000273441357 496807082 /nfs/dbraw/zinc/80/70/82/496807082.db2.gz YPODJDVEHWUAOX-CYBMUJFWSA-N 1 2 355.394 3.278 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@@H](C)OC3(CCOCC3)C2)c1O ZINC000279642248 497495555 /nfs/dbraw/zinc/49/55/55/497495555.db2.gz AXIAXVIQZZZXFN-GFCCVEGCSA-N 1 2 353.846 3.018 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@@H](C)OC3(CCOCC3)C2)c1O ZINC000279642248 497495558 /nfs/dbraw/zinc/49/55/58/497495558.db2.gz AXIAXVIQZZZXFN-GFCCVEGCSA-N 1 2 353.846 3.018 20 10 FGCDLO COc1ccc(N2CCCN(c3cc(N4CCCCC4)[nH+]cn3)CC2)cc1 ZINC000301187556 497990173 /nfs/dbraw/zinc/99/01/73/497990173.db2.gz KRMVZUJBWBBRDQ-UHFFFAOYSA-N 1 2 367.497 3.192 20 10 FGCDLO COc1ccc(N2CCCN(c3cc(N4CCCCC4)nc[nH+]3)CC2)cc1 ZINC000301187556 497990182 /nfs/dbraw/zinc/99/01/82/497990182.db2.gz KRMVZUJBWBBRDQ-UHFFFAOYSA-N 1 2 367.497 3.192 20 10 FGCDLO Clc1ccc(C2=CCN(c3cc(N4CCSCC4)[nH+]cn3)CC2)cn1 ZINC000365027333 498261938 /nfs/dbraw/zinc/26/19/38/498261938.db2.gz HJVDLVKGKCSISN-UHFFFAOYSA-N 1 2 373.913 3.372 20 10 FGCDLO Clc1ccc(C2=CCN(c3cc(N4CCSCC4)nc[nH+]3)CC2)cn1 ZINC000365027333 498261941 /nfs/dbraw/zinc/26/19/41/498261941.db2.gz HJVDLVKGKCSISN-UHFFFAOYSA-N 1 2 373.913 3.372 20 10 FGCDLO CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000283536320 498915879 /nfs/dbraw/zinc/91/58/79/498915879.db2.gz GTQVCDIFXJKCBP-GOSISDBHSA-N 1 2 368.481 3.378 20 10 FGCDLO C[C@H]([NH2+][C@@H]1CCO[C@@]2(CCOC2)C1)c1cc(Br)cc(F)c1O ZINC000369903596 499149125 /nfs/dbraw/zinc/14/91/25/499149125.db2.gz ZMNJXTOYPQZLOH-IETSOEAISA-N 1 2 374.250 3.283 20 10 FGCDLO COc1ccc([NH+]2CCC(Nc3ccc(CCO)cc3OC)CC2)cc1 ZINC000367301524 499176762 /nfs/dbraw/zinc/17/67/62/499176762.db2.gz RFFZQBBFKRRUQB-UHFFFAOYSA-N 1 2 356.466 3.320 20 10 FGCDLO Cc1nc(CN(C)[C@H]2CCC[N@H+](Cc3cccc(Cl)c3O)CC2)no1 ZINC000377370964 499684392 /nfs/dbraw/zinc/68/43/92/499684392.db2.gz GAKYQMGXYXMLNP-HNNXBMFYSA-N 1 2 364.877 3.224 20 10 FGCDLO Cc1nc(CN(C)[C@H]2CCC[N@@H+](Cc3cccc(Cl)c3O)CC2)no1 ZINC000377370964 499684394 /nfs/dbraw/zinc/68/43/94/499684394.db2.gz GAKYQMGXYXMLNP-HNNXBMFYSA-N 1 2 364.877 3.224 20 10 FGCDLO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000472234712 502279817 /nfs/dbraw/zinc/27/98/17/502279817.db2.gz SHNCFCYEAJYOEN-UHFFFAOYSA-N 1 2 366.465 3.107 20 10 FGCDLO Cc1cc(Br)cc(C[N@@H+]2CC[S@@](=O)C(C)(C)CC2)c1O ZINC000322552559 713813501 /nfs/dbraw/zinc/81/35/01/713813501.db2.gz MUVZFNURHYPFTD-HXUWFJFHSA-N 1 2 360.317 3.196 20 10 FGCDLO Cc1cc(Br)cc(C[N@H+]2CC[S@@](=O)C(C)(C)CC2)c1O ZINC000322552559 713813508 /nfs/dbraw/zinc/81/35/08/713813508.db2.gz MUVZFNURHYPFTD-HXUWFJFHSA-N 1 2 360.317 3.196 20 10 FGCDLO Oc1c(Br)cccc1C[N@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000769382737 723683865 /nfs/dbraw/zinc/68/38/65/723683865.db2.gz VLMGEUBWVSAOPO-ZYHUDNBSSA-N 1 2 354.166 3.042 20 10 FGCDLO Oc1c(Br)cccc1C[N@@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000769382737 723683866 /nfs/dbraw/zinc/68/38/66/723683866.db2.gz VLMGEUBWVSAOPO-ZYHUDNBSSA-N 1 2 354.166 3.042 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H](N3CCCCC3=O)C2)c1O ZINC000750044744 722752888 /nfs/dbraw/zinc/75/28/88/722752888.db2.gz JPQCLNHNUWSIQX-INIZCTEOSA-N 1 2 364.873 3.225 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H](N3CCCCC3=O)C2)c1O ZINC000750044744 722752889 /nfs/dbraw/zinc/75/28/89/722752889.db2.gz JPQCLNHNUWSIQX-INIZCTEOSA-N 1 2 364.873 3.225 20 10 FGCDLO CC[C@@H]1C[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)[C@H](CC)CN1C(C)=O ZINC000752090603 722845031 /nfs/dbraw/zinc/84/50/31/722845031.db2.gz BCKCMJVVYWQNFI-IAGOWNOFSA-N 1 2 366.889 3.470 20 10 FGCDLO CC[C@@H]1C[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)[C@H](CC)CN1C(C)=O ZINC000752090603 722845032 /nfs/dbraw/zinc/84/50/32/722845032.db2.gz BCKCMJVVYWQNFI-IAGOWNOFSA-N 1 2 366.889 3.470 20 10 FGCDLO CC[C@H]1C[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)[C@@H](CC)CN1C(C)=O ZINC000752090604 722845062 /nfs/dbraw/zinc/84/50/62/722845062.db2.gz BCKCMJVVYWQNFI-IRXDYDNUSA-N 1 2 366.889 3.470 20 10 FGCDLO CC[C@H]1C[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)[C@@H](CC)CN1C(C)=O ZINC000752090604 722845064 /nfs/dbraw/zinc/84/50/64/722845064.db2.gz BCKCMJVVYWQNFI-IRXDYDNUSA-N 1 2 366.889 3.470 20 10 FGCDLO CCNC(=O)C1(C[NH2+][C@H](C)c2cc(Br)c(F)cc2O)CCC1 ZINC000754104976 722927768 /nfs/dbraw/zinc/92/77/68/722927768.db2.gz NYZQNLGGEYXGLQ-SNVBAGLBSA-N 1 2 373.266 3.251 20 10 FGCDLO C[C@@H]([NH2+][C@H]1CCCCNC1=O)c1cc(Br)cc(Cl)c1O ZINC000756397556 722963912 /nfs/dbraw/zinc/96/39/12/722963912.db2.gz UTHSQSMFFGWTGO-PELKAZGASA-N 1 2 361.667 3.127 20 10 FGCDLO Cc1noc(CCC[NH2+][C@H](C)c2cc(Br)c(F)cc2O)n1 ZINC000756686099 722968713 /nfs/dbraw/zinc/96/87/13/722968713.db2.gz REPXHFXBYOUAFP-MRVPVSSYSA-N 1 2 358.211 3.269 20 10 FGCDLO COc1cc(Cl)cc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)c1O ZINC000761193999 723132038 /nfs/dbraw/zinc/13/20/38/723132038.db2.gz PISIRJNCAZXWLH-GFCCVEGCSA-N 1 2 370.877 3.495 20 10 FGCDLO COc1cc(Cl)cc(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)c1O ZINC000761193999 723132040 /nfs/dbraw/zinc/13/20/40/723132040.db2.gz PISIRJNCAZXWLH-GFCCVEGCSA-N 1 2 370.877 3.495 20 10 FGCDLO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2cccc(Br)c2O)[C@H]1C ZINC000793187033 723408824 /nfs/dbraw/zinc/40/88/24/723408824.db2.gz UTRSQTCNDTUFAM-MJVIPROJSA-N 1 2 356.260 3.222 20 10 FGCDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cc(F)ccc1O)C(=O)OC(C)(C)C ZINC000793618616 723455927 /nfs/dbraw/zinc/45/59/27/723455927.db2.gz VWODXESIPNAFBR-GJZGRUSLSA-N 1 2 356.413 3.311 20 10 FGCDLO Cc1cc(Cl)cc(C[N@@H+]2CCO[C@H](CNC(=O)OC(C)(C)C)C2)c1O ZINC000776017615 724097911 /nfs/dbraw/zinc/09/79/11/724097911.db2.gz QCCFEBRZRGPYAP-OAHLLOKOSA-N 1 2 370.877 3.080 20 10 FGCDLO Cc1cc(Cl)cc(C[N@H+]2CCO[C@H](CNC(=O)OC(C)(C)C)C2)c1O ZINC000776017615 724097917 /nfs/dbraw/zinc/09/79/17/724097917.db2.gz QCCFEBRZRGPYAP-OAHLLOKOSA-N 1 2 370.877 3.080 20 10 FGCDLO C[C@@H]([NH2+]Cc1ncnn1C(C)(C)C)c1cc(Br)c(F)cc1O ZINC000800499932 724203531 /nfs/dbraw/zinc/20/35/31/724203531.db2.gz LBZXTBZSQJDDJM-SECBINFHSA-N 1 2 371.254 3.491 20 10 FGCDLO COC(=O)C[N@H+](Cc1cc(Cl)ccc1O)C[C@H](OC)c1ccccc1 ZINC000801932621 724347722 /nfs/dbraw/zinc/34/77/22/724347722.db2.gz RUZWOPHBCRSFLI-SFHVURJKSA-N 1 2 363.841 3.408 20 10 FGCDLO COC(=O)C[N@@H+](Cc1cc(Cl)ccc1O)C[C@H](OC)c1ccccc1 ZINC000801932621 724347723 /nfs/dbraw/zinc/34/77/23/724347723.db2.gz RUZWOPHBCRSFLI-SFHVURJKSA-N 1 2 363.841 3.408 20 10 FGCDLO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cc(Cl)cc(F)c3O)CC2)n1 ZINC000787289849 725023846 /nfs/dbraw/zinc/02/38/46/725023846.db2.gz ZKENNQJUNAPJJA-UHFFFAOYSA-N 1 2 354.769 3.127 20 10 FGCDLO CCOC(=O)[C@@H](CC)[N@H+](Cc1cccc(Br)c1O)C1CC1 ZINC000787441741 725028400 /nfs/dbraw/zinc/02/84/00/725028400.db2.gz ZGTOCTHKEQQXGT-CQSZACIVSA-N 1 2 356.260 3.461 20 10 FGCDLO CCOC(=O)[C@@H](CC)[N@@H+](Cc1cccc(Br)c1O)C1CC1 ZINC000787441741 725028402 /nfs/dbraw/zinc/02/84/02/725028402.db2.gz ZGTOCTHKEQQXGT-CQSZACIVSA-N 1 2 356.260 3.461 20 10 FGCDLO Brc1c(C[NH2+]Cc2ccc3c(c2)CCO3)nc2ccccn21 ZINC000809612765 725252224 /nfs/dbraw/zinc/25/22/24/725252224.db2.gz ZNJXYGWZHLHNOI-UHFFFAOYSA-N 1 2 358.239 3.322 20 10 FGCDLO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C(F)C(F)(F)F ZINC000810631906 725318821 /nfs/dbraw/zinc/31/88/21/725318821.db2.gz PCTLLYIBFPEZTO-YPMHNXCESA-N 1 2 368.758 3.027 20 10 FGCDLO O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C(F)C(F)(F)F ZINC000810631906 725318823 /nfs/dbraw/zinc/31/88/23/725318823.db2.gz PCTLLYIBFPEZTO-YPMHNXCESA-N 1 2 368.758 3.027 20 10 FGCDLO Oc1ccc2c(c1CNc1cc(N3CCSCC3)nc[nH+]1)CCCC2 ZINC000811808885 725381017 /nfs/dbraw/zinc/38/10/17/725381017.db2.gz SOJYRFUPSMRJRJ-UHFFFAOYSA-N 1 2 356.495 3.226 20 10 FGCDLO Oc1ccc2c(c1CNc1cc(N3CCSCC3)[nH+]cn1)CCCC2 ZINC000811808885 725381018 /nfs/dbraw/zinc/38/10/18/725381018.db2.gz SOJYRFUPSMRJRJ-UHFFFAOYSA-N 1 2 356.495 3.226 20 10 FGCDLO CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)c2ncc(Br)cn2)c1O ZINC000814654645 726990213 /nfs/dbraw/zinc/99/02/13/726990213.db2.gz FCIGMDBBFMQWQG-QMMMGPOBSA-N 1 2 368.206 3.137 20 10 FGCDLO C[C@H]([NH2+]CCCNCc1cccnc1)c1ccc(Br)cc1O ZINC000817941688 727288877 /nfs/dbraw/zinc/28/88/77/727288877.db2.gz VHDILPQYGDVQSP-ZDUSSCGKSA-N 1 2 364.287 3.380 20 10 FGCDLO Cc1ccnc(N2CC[NH+](Cc3ccc(Br)cc3O)CC2)c1 ZINC000824596206 729349718 /nfs/dbraw/zinc/34/97/18/729349718.db2.gz CLMYAQKFFLXBJU-UHFFFAOYSA-N 1 2 362.271 3.180 20 10 FGCDLO CC(C)(C)OC(=O)NC[C@H]1C[N@H+](Cc2cccc(Cl)c2O)CCCO1 ZINC000835081584 729857339 /nfs/dbraw/zinc/85/73/39/729857339.db2.gz JUFMWQBYKXVPQY-AWEZNQCLSA-N 1 2 370.877 3.161 20 10 FGCDLO CC(C)(C)OC(=O)NC[C@H]1C[N@@H+](Cc2cccc(Cl)c2O)CCCO1 ZINC000835081584 729857340 /nfs/dbraw/zinc/85/73/40/729857340.db2.gz JUFMWQBYKXVPQY-AWEZNQCLSA-N 1 2 370.877 3.161 20 10 FGCDLO CC[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)C(=O)NCc1cccs1 ZINC000843428153 730619898 /nfs/dbraw/zinc/61/98/98/730619898.db2.gz PFGROSBEKVMJEA-CQSZACIVSA-N 1 2 356.850 3.431 20 10 FGCDLO CO[C@H]1C[C@H]([NH2+]Cc2cc(Br)cc(Br)c2O)C1 ZINC000862540695 732847247 /nfs/dbraw/zinc/84/72/47/732847247.db2.gz JYFBTXNTWQKKDS-MGCOHNPYSA-N 1 2 365.065 3.184 20 10 FGCDLO C[C@@H]([NH2+]CCC[C@H]1CCOC1=O)c1cc(Br)c(F)cc1O ZINC000872113626 735590483 /nfs/dbraw/zinc/59/04/83/735590483.db2.gz PLUJGWGBJYMZOB-ZJUUUORDSA-N 1 2 360.223 3.288 20 10 FGCDLO Oc1c(F)cc(Br)cc1C[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000894076595 742235209 /nfs/dbraw/zinc/23/52/09/742235209.db2.gz PHMOTOIKPXRYLW-AWEZNQCLSA-N 1 2 374.250 3.064 20 10 FGCDLO C[C@H](CCCOc1ccccc1C(N)=O)[NH2+]Cc1cccc(Cl)c1O ZINC000898219536 742760471 /nfs/dbraw/zinc/76/04/71/742760471.db2.gz YXZUMZFUNWAGDJ-CYBMUJFWSA-N 1 2 362.857 3.482 20 10 FGCDLO O=C(NCc1ccc(N2CCCC2)cc1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000171714926 496003940 /nfs/dbraw/zinc/00/39/40/496003940.db2.gz QDJFVORWMNUNRZ-GOSISDBHSA-N 1 2 353.470 3.447 20 10 FGCDLO COc1cc(O)c(C[N@@H+]2CCO[C@H](c3ccc(F)cc3F)C2)cc1OC ZINC000186956073 496227470 /nfs/dbraw/zinc/22/74/70/496227470.db2.gz YDEOUWMYNZWRLN-IBGZPJMESA-N 1 2 365.376 3.261 20 10 FGCDLO COc1cc(O)c(C[N@H+]2CCO[C@H](c3ccc(F)cc3F)C2)cc1OC ZINC000186956073 496227473 /nfs/dbraw/zinc/22/74/73/496227473.db2.gz YDEOUWMYNZWRLN-IBGZPJMESA-N 1 2 365.376 3.261 20 10 FGCDLO COc1cc(O)c(C[NH2+][C@@H](C)c2nc(Cc3ccccc3)no2)cc1OC ZINC000191595108 496826056 /nfs/dbraw/zinc/82/60/56/496826056.db2.gz WLPTYAWWGRKOPA-ZDUSSCGKSA-N 1 2 369.421 3.234 20 10 FGCDLO Cn1cc([C@@H]2CSCC[N@@H+]2Cc2cc(Br)ccc2O)cn1 ZINC000191743569 496874958 /nfs/dbraw/zinc/87/49/58/496874958.db2.gz CKJPPAQVCLXNAX-AWEZNQCLSA-N 1 2 368.300 3.178 20 10 FGCDLO Cn1cc([C@@H]2CSCC[N@H+]2Cc2cc(Br)ccc2O)cn1 ZINC000191743569 496874964 /nfs/dbraw/zinc/87/49/64/496874964.db2.gz CKJPPAQVCLXNAX-AWEZNQCLSA-N 1 2 368.300 3.178 20 10 FGCDLO Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+][C@@H](C)c3cc([N+](=O)[O-])ccc3O)n2)c1 ZINC000279620736 497489386 /nfs/dbraw/zinc/48/93/86/497489386.db2.gz YGTZTUNBFBLVSM-RYUDHWBXSA-N 1 2 368.397 3.201 20 10 FGCDLO Cc1cc(Br)cc(C[N@@H+]2CCOC[C@H]2CC(F)F)c1O ZINC000289718890 498262984 /nfs/dbraw/zinc/26/29/84/498262984.db2.gz PFBKTFVIEIUILD-GFCCVEGCSA-N 1 2 350.203 3.319 20 10 FGCDLO Cc1cc(Br)cc(C[N@H+]2CCOC[C@H]2CC(F)F)c1O ZINC000289718890 498262992 /nfs/dbraw/zinc/26/29/92/498262992.db2.gz PFBKTFVIEIUILD-GFCCVEGCSA-N 1 2 350.203 3.319 20 10 FGCDLO COc1ccc(N2CCN(c3nc(C)[nH+]c4c3CCCC4)CC2)cc1F ZINC000302102447 498405411 /nfs/dbraw/zinc/40/54/11/498405411.db2.gz QKOGDFASQNXERU-UHFFFAOYSA-N 1 2 356.445 3.138 20 10 FGCDLO COC(=O)C1([NH2+]Cc2ccc(N3CCC(OC)CC3)cc2)CCCCC1 ZINC000297366702 498422134 /nfs/dbraw/zinc/42/21/34/498422134.db2.gz CMFOZOMIFBDPQX-UHFFFAOYSA-N 1 2 360.498 3.267 20 10 FGCDLO CCN(CC)c1ccc(CNC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)cc1F ZINC000366825590 499086539 /nfs/dbraw/zinc/08/65/39/499086539.db2.gz HSOZAZWVDLGGLH-INIZCTEOSA-N 1 2 373.476 3.105 20 10 FGCDLO COCCn1cc2c(n1)[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)CCC2 ZINC000370464195 499223027 /nfs/dbraw/zinc/22/30/27/499223027.db2.gz URRVGOVVMDLBNB-CQSZACIVSA-N 1 2 353.825 3.195 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)c3ccccc3OC)CC2)cc1 ZINC000368866154 499341423 /nfs/dbraw/zinc/34/14/23/499341423.db2.gz MXDMUODUWXWHMI-UHFFFAOYSA-N 1 2 354.450 3.445 20 10 FGCDLO C[C@H]([NH2+][C@H]1CCN(c2ccn(C)n2)C1)c1ccc(Cl)c(Cl)c1O ZINC000371877659 499374548 /nfs/dbraw/zinc/37/45/48/499374548.db2.gz XYWBKHVPPXYWOS-QWRGUYRKSA-N 1 2 355.269 3.362 20 10 FGCDLO Oc1c(Cl)cccc1C[NH2+]Cc1nnc(-c2ccncc2F)s1 ZINC000373470502 499471928 /nfs/dbraw/zinc/47/19/28/499471928.db2.gz SBKRLWVQWSLFBY-UHFFFAOYSA-N 1 2 350.806 3.388 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)[C@@H](C)C3CCOCC3)CC2)cc1 ZINC000378290223 499498414 /nfs/dbraw/zinc/49/84/14/499498414.db2.gz ZWFLIZRFXQHRFF-INIZCTEOSA-N 1 2 360.498 3.185 20 10 FGCDLO COc1ccc(O)c(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)c1 ZINC000528861029 504420213 /nfs/dbraw/zinc/42/02/13/504420213.db2.gz IUUQWKMHGGGOBF-GOSISDBHSA-N 1 2 374.868 3.335 20 10 FGCDLO COc1ccc(O)c(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)c1 ZINC000528861029 504420214 /nfs/dbraw/zinc/42/02/14/504420214.db2.gz IUUQWKMHGGGOBF-GOSISDBHSA-N 1 2 374.868 3.335 20 10 FGCDLO COc1ccc2[nH]cc(C3=CCN(c4cc(-n5cc[nH+]c5)ncn4)CC3)c2c1 ZINC000607058373 507601306 /nfs/dbraw/zinc/60/13/06/507601306.db2.gz MJYBLHOGMLNNKF-UHFFFAOYSA-N 1 2 372.432 3.446 20 10 FGCDLO CCCn1c(C)nnc1C[N@H+](CC)Cc1cc(Br)ccc1O ZINC000160100745 705243970 /nfs/dbraw/zinc/24/39/70/705243970.db2.gz WPNBYUWLMFTGOI-UHFFFAOYSA-N 1 2 367.291 3.487 20 10 FGCDLO CCCn1c(C)nnc1C[N@@H+](CC)Cc1cc(Br)ccc1O ZINC000160100745 705243972 /nfs/dbraw/zinc/24/39/72/705243972.db2.gz WPNBYUWLMFTGOI-UHFFFAOYSA-N 1 2 367.291 3.487 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCN(c3ccccc3O)CC2)c1O ZINC000177227534 705613956 /nfs/dbraw/zinc/61/39/56/705613956.db2.gz LKSOVISDQLAYET-UHFFFAOYSA-N 1 2 360.841 3.276 20 10 FGCDLO CCNC(=O)C1(C[NH2+][C@@H](C)c2cc(Br)c(F)cc2O)CCC1 ZINC000754104973 722927749 /nfs/dbraw/zinc/92/77/49/722927749.db2.gz NYZQNLGGEYXGLQ-JTQLQIEISA-N 1 2 373.266 3.251 20 10 FGCDLO C[C@@H]([NH2+]CCNC(=O)c1ccccc1Cl)c1cc(F)cc(F)c1O ZINC000756577032 722967148 /nfs/dbraw/zinc/96/71/48/722967148.db2.gz XHRKPVDWUJZHHP-SNVBAGLBSA-N 1 2 354.784 3.404 20 10 FGCDLO C[C@H]([NH2+]CCNc1ccccn1)c1cc(Br)cc(F)c1O ZINC000756604885 722967630 /nfs/dbraw/zinc/96/76/30/722967630.db2.gz HCSYFQHZFBSJKI-JTQLQIEISA-N 1 2 354.223 3.452 20 10 FGCDLO CCc1nnc([C@@H](C)[NH2+][C@H](C)c2cc(Br)c(F)cc2O)[nH]1 ZINC000756779206 722970035 /nfs/dbraw/zinc/97/00/35/722970035.db2.gz RAOQPSPQKXRYNN-HTQZYQBOSA-N 1 2 357.227 3.386 20 10 FGCDLO COC(=O)[C@@H](C)[N@H+](Cc1cc(C)cc(Br)c1O)C1CCC1 ZINC000792188999 723319646 /nfs/dbraw/zinc/31/96/46/723319646.db2.gz ZQFAYQBDLHSTKR-LLVKDONJSA-N 1 2 356.260 3.379 20 10 FGCDLO COC(=O)[C@@H](C)[N@@H+](Cc1cc(C)cc(Br)c1O)C1CCC1 ZINC000792188999 723319648 /nfs/dbraw/zinc/31/96/48/723319648.db2.gz ZQFAYQBDLHSTKR-LLVKDONJSA-N 1 2 356.260 3.379 20 10 FGCDLO Oc1cc2c(cc1C[N@@H+]1CCO[C@H](c3cccc(Cl)c3)C1)[C@H](O)CO2 ZINC000767504489 723621478 /nfs/dbraw/zinc/62/14/78/723621478.db2.gz ULLGDBRKJNRXKR-MJGOQNOKSA-N 1 2 361.825 3.045 20 10 FGCDLO Oc1cc2c(cc1C[N@H+]1CCO[C@H](c3cccc(Cl)c3)C1)[C@H](O)CO2 ZINC000767504489 723621479 /nfs/dbraw/zinc/62/14/79/723621479.db2.gz ULLGDBRKJNRXKR-MJGOQNOKSA-N 1 2 361.825 3.045 20 10 FGCDLO C[C@@H]1[C@H]([NH2+]Cc2cc(Cl)cc(F)c2O)CC(=O)N1Cc1ccccc1 ZINC000798966992 723980916 /nfs/dbraw/zinc/98/09/16/723980916.db2.gz MWBHIQXKWNLEEL-SJKOYZFVSA-N 1 2 362.832 3.464 20 10 FGCDLO Cc1cc(Cl)cc(C[NH+]2CCN(C(=O)N3CCCCC3)CC2)c1O ZINC000775646488 724015597 /nfs/dbraw/zinc/01/55/97/724015597.db2.gz YUAQGTIMKHGRHJ-UHFFFAOYSA-N 1 2 351.878 3.078 20 10 FGCDLO C[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)c1cccc(NS(C)(=O)=O)c1 ZINC000776071105 724106159 /nfs/dbraw/zinc/10/61/59/724106159.db2.gz PGHNDJSQNSZWOF-SNVBAGLBSA-N 1 2 372.849 3.407 20 10 FGCDLO COCC[N@H+](Cc1ccccn1)Cc1cccc(Br)c1O ZINC000809734947 725263654 /nfs/dbraw/zinc/26/36/54/725263654.db2.gz UEZHDGLJCPUYKP-UHFFFAOYSA-N 1 2 351.244 3.198 20 10 FGCDLO COCC[N@@H+](Cc1ccccn1)Cc1cccc(Br)c1O ZINC000809734947 725263655 /nfs/dbraw/zinc/26/36/55/725263655.db2.gz UEZHDGLJCPUYKP-UHFFFAOYSA-N 1 2 351.244 3.198 20 10 FGCDLO OC[C@@H]1CCN(Cc2ccccc2)C[C@H]1[NH2+]Cc1cccc(Cl)c1O ZINC000809764721 725266367 /nfs/dbraw/zinc/26/63/67/725266367.db2.gz HDYUPVVMUNJHDD-PKOBYXMFSA-N 1 2 360.885 3.018 20 10 FGCDLO O=C([C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)C1)N1CCCCC1 ZINC000816598596 727178982 /nfs/dbraw/zinc/17/89/82/727178982.db2.gz IZCIMPMNBJXRLD-OCCSQVGLSA-N 1 2 354.853 3.456 20 10 FGCDLO C[C@@H](N[C@H]1C[NH2+]CCC1(F)F)c1cc(Br)cc(Cl)c1O ZINC000817980239 727290386 /nfs/dbraw/zinc/29/03/86/727290386.db2.gz KCDBUMSYIWMBRI-HQJQHLMTSA-N 1 2 369.637 3.456 20 10 FGCDLO CN(C)c1ccc(C[NH2+]Cc2c(F)cncc2Br)cc1F ZINC000850099698 731319357 /nfs/dbraw/zinc/31/93/57/731319357.db2.gz UKMYBSMMEMTZOM-UHFFFAOYSA-N 1 2 356.214 3.478 20 10 FGCDLO Oc1cccc([C@H]2C[N@H+](Cc3c(O)cccc3Br)CCO2)c1 ZINC000862246557 732797229 /nfs/dbraw/zinc/79/72/29/732797229.db2.gz QMOVAOAUDGZDMP-QGZVFWFLSA-N 1 2 364.239 3.434 20 10 FGCDLO Oc1cccc([C@H]2C[N@@H+](Cc3c(O)cccc3Br)CCO2)c1 ZINC000862246557 732797230 /nfs/dbraw/zinc/79/72/30/732797230.db2.gz QMOVAOAUDGZDMP-QGZVFWFLSA-N 1 2 364.239 3.434 20 10 FGCDLO CSC1(C[NH2+]Cc2cc(Br)cc(F)c2O)CCOCC1 ZINC000883018496 737512577 /nfs/dbraw/zinc/51/25/77/737512577.db2.gz GBKFZXCVIYPMKH-UHFFFAOYSA-N 1 2 364.280 3.296 20 10 FGCDLO C[C@H](C[C@@H](O)c1ccco1)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000883079272 737519948 /nfs/dbraw/zinc/51/99/48/737519948.db2.gz NZEIAHPSOKSGAL-NOZJJQNGSA-N 1 2 358.207 3.489 20 10 FGCDLO CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000883087857 737520857 /nfs/dbraw/zinc/52/08/57/737520857.db2.gz KVOSPMHTHWPSOP-QWHCGFSZSA-N 1 2 364.667 3.092 20 10 FGCDLO COCC[C@@]1([NH2+]Cc2cc(Cl)cc(Br)c2O)CCOC1 ZINC000883105303 737524073 /nfs/dbraw/zinc/52/40/73/737524073.db2.gz FPAJINGIJXYIHA-CQSZACIVSA-N 1 2 364.667 3.093 20 10 FGCDLO O=C1[C@H]([NH2+]Cc2cc(Cl)cc(Br)c2O)CCN1C1CCC1 ZINC000883191883 737533938 /nfs/dbraw/zinc/53/39/38/737533938.db2.gz LTNSZZKBPVHBSU-CYBMUJFWSA-N 1 2 373.678 3.051 20 10 FGCDLO C[C@@H]([NH2+]Cc1nnc2ccc(C(F)(F)F)cn21)c1c(O)cccc1F ZINC000886495154 739263116 /nfs/dbraw/zinc/26/31/16/739263116.db2.gz KAERPHZSYNMPAN-SECBINFHSA-N 1 2 354.307 3.444 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)S(=O)(=O)c3cccs3)CC2)cc1 ZINC000066103735 494276314 /nfs/dbraw/zinc/27/63/14/494276314.db2.gz NVXYBPNIFKVJBL-UHFFFAOYSA-N 1 2 366.508 3.046 20 10 FGCDLO C[C@@H]([NH2+]CC[C@H](C)O)c1cc(Br)cc(Br)c1O ZINC000185456157 495583783 /nfs/dbraw/zinc/58/37/83/495583783.db2.gz UIEFRAGCGVPODT-JGVFFNPUSA-N 1 2 367.081 3.339 20 10 FGCDLO C[C@@H](c1cccc(NC(=O)N(C)Cc2ccccc2O)c1)[NH+]1CCOCC1 ZINC000264277486 496859983 /nfs/dbraw/zinc/85/99/83/496859983.db2.gz VYLNWAAACNKOIA-INIZCTEOSA-N 1 2 369.465 3.449 20 10 FGCDLO COC(=O)CCCc1nc(C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)no1 ZINC000264973489 497022461 /nfs/dbraw/zinc/02/24/61/497022461.db2.gz YUKWXYSMUPZABN-UHFFFAOYSA-N 1 2 374.485 3.042 20 10 FGCDLO COC(=O)CCCc1nc(C[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)no1 ZINC000264973489 497022466 /nfs/dbraw/zinc/02/24/66/497022466.db2.gz YUKWXYSMUPZABN-UHFFFAOYSA-N 1 2 374.485 3.042 20 10 FGCDLO COc1c(O)c(C[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)ccc1[N+](=O)[O-] ZINC000278205131 497037251 /nfs/dbraw/zinc/03/72/51/497037251.db2.gz JOYBKRIUXDPPOA-INIZCTEOSA-N 1 2 362.357 3.022 20 10 FGCDLO COc1c(O)c(C[N@H+]2CCO[C@H](c3ccc(F)cc3)C2)ccc1[N+](=O)[O-] ZINC000278205131 497037258 /nfs/dbraw/zinc/03/72/58/497037258.db2.gz JOYBKRIUXDPPOA-INIZCTEOSA-N 1 2 362.357 3.022 20 10 FGCDLO C[C@H]([NH2+][C@H](CN1CCOCC1)c1ccccc1)c1ccc(F)c(F)c1O ZINC000191189315 497737561 /nfs/dbraw/zinc/73/75/61/497737561.db2.gz ZZNXFWMJOSWQHT-KBXCAEBGSA-N 1 2 362.420 3.395 20 10 FGCDLO C[C@H](c1nc(N)nc(Cl)n1)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000296460029 498051839 /nfs/dbraw/zinc/05/18/39/498051839.db2.gz JIFBQEHGHHVFQJ-CYBMUJFWSA-N 1 2 360.893 3.291 20 10 FGCDLO C[C@H](c1nc(N)nc(Cl)n1)[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000296460029 498051846 /nfs/dbraw/zinc/05/18/46/498051846.db2.gz JIFBQEHGHHVFQJ-CYBMUJFWSA-N 1 2 360.893 3.291 20 10 FGCDLO C[C@H]([NH2+]C1CC[NH+](CCc2ccncc2)CC1)c1ccc(F)c(F)c1[O-] ZINC000364806259 498152767 /nfs/dbraw/zinc/15/27/67/498152767.db2.gz JNKOHTJKCKYJNX-AWEZNQCLSA-N 1 2 361.436 3.423 20 10 FGCDLO Cc1nc(NCc2ccc(N3CCC(O)CC3)c(F)c2)c2c([nH+]1)CCCC2 ZINC000301540954 498154959 /nfs/dbraw/zinc/15/49/59/498154959.db2.gz CHGOTTBWYZMEDY-UHFFFAOYSA-N 1 2 370.472 3.376 20 10 FGCDLO C[N@@H+]1CCc2ncnc(N3CC=C(c4cncc5ccccc54)CC3)c2C1 ZINC000365295829 498392201 /nfs/dbraw/zinc/39/22/01/498392201.db2.gz ZNDVXJHKKMAWAC-UHFFFAOYSA-N 1 2 357.461 3.306 20 10 FGCDLO C[N@H+]1CCc2ncnc(N3CC=C(c4cncc5ccccc54)CC3)c2C1 ZINC000365295829 498392208 /nfs/dbraw/zinc/39/22/08/498392208.db2.gz ZNDVXJHKKMAWAC-UHFFFAOYSA-N 1 2 357.461 3.306 20 10 FGCDLO CCN(CC)c1ccc(CNC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)cc1 ZINC000365472975 498484773 /nfs/dbraw/zinc/48/47/73/498484773.db2.gz LDJCKRMQEULQIU-UHFFFAOYSA-N 1 2 369.513 3.407 20 10 FGCDLO CN(Cc1ccccc1O)c1cc(N(C)Cc2ccccc2O)[nH+]cn1 ZINC000302601524 498515495 /nfs/dbraw/zinc/51/54/95/498515495.db2.gz CFXNZOIXLRVYAK-UHFFFAOYSA-N 1 2 350.422 3.161 20 10 FGCDLO CCCCN(Cc1ccccc1O)C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000282468300 498524278 /nfs/dbraw/zinc/52/42/78/498524278.db2.gz KNQDDYWQVBTZQD-UHFFFAOYSA-N 1 2 350.422 3.415 20 10 FGCDLO CCOc1ncccc1C(=O)N(C)C1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000363631228 498915106 /nfs/dbraw/zinc/91/51/06/498915106.db2.gz IRPVITYPHJRKGR-UHFFFAOYSA-N 1 2 369.465 3.230 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)Cc3ccc(O)cc3)CC2)cc1 ZINC000363879998 499037434 /nfs/dbraw/zinc/03/74/34/499037434.db2.gz RCUSSGSUFWGLHG-UHFFFAOYSA-N 1 2 354.450 3.071 20 10 FGCDLO C[C@H]([NH2+][C@H]1CCO[C@]2(CCOC2)C1)c1cc(Br)cc(F)c1O ZINC000369903598 499148753 /nfs/dbraw/zinc/14/87/53/499148753.db2.gz ZMNJXTOYPQZLOH-KNHMANMVSA-N 1 2 374.250 3.283 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)C[C@H]3CCC(=O)[C@@H]3C)CC2)cc1 ZINC000373476243 499472152 /nfs/dbraw/zinc/47/21/52/499472152.db2.gz VGBGXOQRAVLIBM-HZPDHXFCSA-N 1 2 358.482 3.128 20 10 FGCDLO Cc1c2ccccc2n(C)c1CNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000472231211 502277683 /nfs/dbraw/zinc/27/76/83/502277683.db2.gz SASYFZKTIFHARG-UHFFFAOYSA-N 1 2 351.454 3.299 20 10 FGCDLO Oc1ccc(Cl)cc1C[N@H+]1CCOC[C@H]1C[C@@H](O)c1cccs1 ZINC000091920898 700428564 /nfs/dbraw/zinc/42/85/64/700428564.db2.gz UNPIOSLWHJSJAW-GDBMZVCRSA-N 1 2 353.871 3.432 20 10 FGCDLO Oc1ccc(Cl)cc1C[N@@H+]1CCOC[C@H]1C[C@@H](O)c1cccs1 ZINC000091920898 700428566 /nfs/dbraw/zinc/42/85/66/700428566.db2.gz UNPIOSLWHJSJAW-GDBMZVCRSA-N 1 2 353.871 3.432 20 10 FGCDLO O=C(/C=C\c1ccc(O)c(O)c1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000779499288 724416266 /nfs/dbraw/zinc/41/62/66/724416266.db2.gz NTGBIAZDNLIMII-ALCCZGGFSA-N 1 2 359.451 3.192 20 10 FGCDLO Oc1c(Br)cccc1C[N@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000769382736 723683797 /nfs/dbraw/zinc/68/37/97/723683797.db2.gz VLMGEUBWVSAOPO-CMPLNLGQSA-N 1 2 354.166 3.042 20 10 FGCDLO Oc1c(Br)cccc1C[N@@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000769382736 723683798 /nfs/dbraw/zinc/68/37/98/723683798.db2.gz VLMGEUBWVSAOPO-CMPLNLGQSA-N 1 2 354.166 3.042 20 10 FGCDLO CN(CCOCC[NH2+]Cc1cccc(Cl)c1O)C(=O)OC(C)(C)C ZINC000705881072 722411906 /nfs/dbraw/zinc/41/19/06/722411906.db2.gz RMPQSBSDXWOCKE-UHFFFAOYSA-N 1 2 358.866 3.019 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)c1O ZINC000750045704 722752638 /nfs/dbraw/zinc/75/26/38/722752638.db2.gz VMHHUIRRJBGRSN-OCCSQVGLSA-N 1 2 351.752 3.136 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)c1O ZINC000750045704 722752640 /nfs/dbraw/zinc/75/26/40/722752640.db2.gz VMHHUIRRJBGRSN-OCCSQVGLSA-N 1 2 351.752 3.136 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(O[C@@H]3CCOC3)CC2)c1O ZINC000750058122 722753280 /nfs/dbraw/zinc/75/32/80/722753280.db2.gz QXMQHCQMLHALAO-MRXNPFEDSA-N 1 2 353.846 3.018 20 10 FGCDLO C[C@H](Cc1cnccn1)[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000756494368 722965557 /nfs/dbraw/zinc/96/55/57/722965557.db2.gz LQZUGTKDWFVTTJ-NXEZZACHSA-N 1 2 354.223 3.366 20 10 FGCDLO C[C@H]([NH2+]CCCNC(=O)c1ccc(F)cc1)c1cc(F)cc(F)c1O ZINC000756708037 722968899 /nfs/dbraw/zinc/96/88/99/722968899.db2.gz LZYORYAXEMHLHC-NSHDSACASA-N 1 2 352.356 3.280 20 10 FGCDLO C[C@@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1cc(Br)c(F)cc1O ZINC000756762459 722969709 /nfs/dbraw/zinc/96/97/09/722969709.db2.gz WYZGVAUDSSRBTF-PSASIEDQSA-N 1 2 354.223 3.225 20 10 FGCDLO CC[C@@H]1C[N@H+](Cc2cccc(Br)c2O)CCN1CC(F)F ZINC000769513290 723688274 /nfs/dbraw/zinc/68/82/74/723688274.db2.gz AXXFBZJDYXZNEF-GFCCVEGCSA-N 1 2 363.246 3.316 20 10 FGCDLO CC[C@@H]1C[N@@H+](Cc2cccc(Br)c2O)CCN1CC(F)F ZINC000769513290 723688275 /nfs/dbraw/zinc/68/82/75/723688275.db2.gz AXXFBZJDYXZNEF-GFCCVEGCSA-N 1 2 363.246 3.316 20 10 FGCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCO[C@@H](COC(C)C)C2)c1 ZINC000770689129 723719224 /nfs/dbraw/zinc/71/92/24/723719224.db2.gz NTSGTISVRYNUED-CQSZACIVSA-N 1 2 358.276 3.089 20 10 FGCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCO[C@@H](COC(C)C)C2)c1 ZINC000770689129 723719226 /nfs/dbraw/zinc/71/92/26/723719226.db2.gz NTSGTISVRYNUED-CQSZACIVSA-N 1 2 358.276 3.089 20 10 FGCDLO Cn1cc([C@@H](O)C[C@H]2CCC[N@@H+]2Cc2cc(Cl)cc(F)c2O)cn1 ZINC000775745274 724037120 /nfs/dbraw/zinc/03/71/20/724037120.db2.gz STYJISQOZZSWQA-ZBFHGGJFSA-N 1 2 353.825 3.006 20 10 FGCDLO Cn1cc([C@@H](O)C[C@H]2CCC[N@H+]2Cc2cc(Cl)cc(F)c2O)cn1 ZINC000775745274 724037129 /nfs/dbraw/zinc/03/71/29/724037129.db2.gz STYJISQOZZSWQA-ZBFHGGJFSA-N 1 2 353.825 3.006 20 10 FGCDLO CC(C)(O)CC[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000776012595 724097177 /nfs/dbraw/zinc/09/71/77/724097177.db2.gz IESVTRRRROCGQY-UHFFFAOYSA-N 1 2 367.081 3.168 20 10 FGCDLO O=C1COc2ccccc2N1CCC[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000776222790 724121211 /nfs/dbraw/zinc/12/12/11/724121211.db2.gz JSDVLIXGTFDRIN-UHFFFAOYSA-N 1 2 364.804 3.090 20 10 FGCDLO C[C@H]([NH2+]C[C@H](CO)c1cccnc1)c1cc(Br)c(F)cc1O ZINC000806178378 725119779 /nfs/dbraw/zinc/11/97/79/725119779.db2.gz FZFPXOHLGMYRTL-CMPLNLGQSA-N 1 2 369.234 3.116 20 10 FGCDLO COCc1nc(C[NH2+]Cc2cc(C)cc(Br)c2O)cs1 ZINC000810170078 725294301 /nfs/dbraw/zinc/29/43/01/725294301.db2.gz FCWCFSYCOODQRL-UHFFFAOYSA-N 1 2 357.273 3.356 20 10 FGCDLO C[N@H+](Cc1cc(Cl)c(F)cc1O)C1CCN(c2cnccn2)CC1 ZINC000816594290 727179167 /nfs/dbraw/zinc/17/91/67/727179167.db2.gz XHTLARUMEKCDCF-UHFFFAOYSA-N 1 2 350.825 3.076 20 10 FGCDLO C[N@@H+](Cc1cc(Cl)c(F)cc1O)C1CCN(c2cnccn2)CC1 ZINC000816594290 727179169 /nfs/dbraw/zinc/17/91/69/727179169.db2.gz XHTLARUMEKCDCF-UHFFFAOYSA-N 1 2 350.825 3.076 20 10 FGCDLO CCOCc1cc(C[NH2+][C@@H](C)c2ncc(C(=O)OC)s2)ccc1OC ZINC000818230452 727302551 /nfs/dbraw/zinc/30/25/51/727302551.db2.gz BVOIAOUMTKPCGO-LBPRGKRZSA-N 1 2 364.467 3.326 20 10 FGCDLO Cc1cc(O)c(C[N@H+](C)Cc2ccc(S(C)(=O)=O)cc2)cc1Cl ZINC000824855854 729362572 /nfs/dbraw/zinc/36/25/72/729362572.db2.gz QVOKYLBBGAQVDY-UHFFFAOYSA-N 1 2 353.871 3.390 20 10 FGCDLO Cc1cc(O)c(C[N@@H+](C)Cc2ccc(S(C)(=O)=O)cc2)cc1Cl ZINC000824855854 729362575 /nfs/dbraw/zinc/36/25/75/729362575.db2.gz QVOKYLBBGAQVDY-UHFFFAOYSA-N 1 2 353.871 3.390 20 10 FGCDLO COc1ccc(OC)c2c1C[N@H+](Cc1c(O)cc(C)cc1Cl)C[C@H]2O ZINC000840910921 730190344 /nfs/dbraw/zinc/19/03/44/730190344.db2.gz XFRWVMZRHWOJSS-MRXNPFEDSA-N 1 2 363.841 3.420 20 10 FGCDLO COc1ccc(OC)c2c1C[N@@H+](Cc1c(O)cc(C)cc1Cl)C[C@H]2O ZINC000840910921 730190345 /nfs/dbraw/zinc/19/03/45/730190345.db2.gz XFRWVMZRHWOJSS-MRXNPFEDSA-N 1 2 363.841 3.420 20 10 FGCDLO COc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)c2csnn2)c1O ZINC000848552724 731180648 /nfs/dbraw/zinc/18/06/48/731180648.db2.gz DJPSZBATSMRCDK-HTQZYQBOSA-N 1 2 358.261 3.427 20 10 FGCDLO C[C@@H](Sc1ncc(Cl)s1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000849998653 731308068 /nfs/dbraw/zinc/30/80/68/731308068.db2.gz HRGMCFOYKHYIBA-LLVKDONJSA-N 1 2 368.915 3.021 20 10 FGCDLO C[C@H]([NH2+][C@@H]1C[C@H](C)n2ncnc21)c1ccc(N2CCOCC2)cc1Cl ZINC000850499234 731364932 /nfs/dbraw/zinc/36/49/32/731364932.db2.gz LLTSPZCRANOCJK-GDZNZVCISA-N 1 2 361.877 3.125 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C)c2nnc3n2CCCCC3)c1O ZINC000851929279 731520387 /nfs/dbraw/zinc/52/03/87/731520387.db2.gz IFBGJYYNLHADEI-LLVKDONJSA-N 1 2 362.861 3.417 20 10 FGCDLO Oc1cccc(Br)c1C[NH2+]Cc1nccn1CC(F)(F)F ZINC000858122447 732182901 /nfs/dbraw/zinc/18/29/01/732182901.db2.gz NNFVRLZPESNKMT-UHFFFAOYSA-N 1 2 364.165 3.203 20 10 FGCDLO CO[C@@H]1C[C@H]2C[N@H+](Cc3cccc(Cl)c3O)Cc3cccnc3N2C1 ZINC000877688228 736704705 /nfs/dbraw/zinc/70/47/05/736704705.db2.gz RPMIIGCELVUKCV-JKSUJKDBSA-N 1 2 359.857 3.050 20 10 FGCDLO CO[C@@H]1C[C@H]2C[N@@H+](Cc3cccc(Cl)c3O)Cc3cccnc3N2C1 ZINC000877688228 736704708 /nfs/dbraw/zinc/70/47/08/736704708.db2.gz RPMIIGCELVUKCV-JKSUJKDBSA-N 1 2 359.857 3.050 20 10 FGCDLO COc1ccc(OC)c([C@H](O)[C@@H](C)[NH2+]Cc2cccc(Cl)c2O)c1 ZINC000877832207 736733332 /nfs/dbraw/zinc/73/33/32/736733332.db2.gz IAXWOGUNRCUJCR-PIGZYNQJSA-N 1 2 351.830 3.275 20 10 FGCDLO Cn1ccnc1[C@@H]1CCC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000894572064 742300750 /nfs/dbraw/zinc/30/07/50/742300750.db2.gz CZJQJBDQXDPYRX-LLVKDONJSA-N 1 2 368.250 3.407 20 10 FGCDLO Cn1ccnc1[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000894572064 742300754 /nfs/dbraw/zinc/30/07/54/742300754.db2.gz CZJQJBDQXDPYRX-LLVKDONJSA-N 1 2 368.250 3.407 20 10 FGCDLO COc1cccc2c1CC[C@@]2(CO)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000895634032 742435064 /nfs/dbraw/zinc/43/50/64/742435064.db2.gz IGJQQBDRSPONOZ-SFHVURJKSA-N 1 2 351.805 3.117 20 10 FGCDLO CC(C)(C)OC(=O)Nc1cnc(C[NH2+]Cc2cccc(Cl)c2O)cn1 ZINC000898215356 742759725 /nfs/dbraw/zinc/75/97/25/742759725.db2.gz MBHMKNZRHFVUEO-UHFFFAOYSA-N 1 2 364.833 3.472 20 10 FGCDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@H]1CCc2ncc(Br)n2C1 ZINC000898726064 742826749 /nfs/dbraw/zinc/82/67/49/742826749.db2.gz WYJLQBQTVDRUMT-JTQLQIEISA-N 1 2 374.641 3.248 20 10 FGCDLO CO[C@@H]1CCOC[C@H]1[NH2+][C@H](C)c1cc(Br)cc(Cl)c1O ZINC000903299078 743834932 /nfs/dbraw/zinc/83/49/32/743834932.db2.gz DFZNALAVYPWPSR-BZHVJNSISA-N 1 2 364.667 3.263 20 10 FGCDLO O=C(NCc1ccc(O)cc1O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000910958058 757077157 /nfs/dbraw/zinc/07/71/57/757077157.db2.gz WBWSMAMOYIJPSD-KRWDZBQOSA-N 1 2 360.841 3.032 20 10 FGCDLO O=C(NCc1ccc(O)cc1O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000910958058 757077171 /nfs/dbraw/zinc/07/71/71/757077171.db2.gz WBWSMAMOYIJPSD-KRWDZBQOSA-N 1 2 360.841 3.032 20 10 FGCDLO CC1CCN(c2ccc(CNC(=O)N(C)Cc3ccccc3O)c[nH+]2)CC1 ZINC000071927809 136141549 /nfs/dbraw/zinc/14/15/49/136141549.db2.gz VJELHRRENYHVRN-UHFFFAOYSA-N 1 2 368.481 3.365 20 10 FGCDLO CCN(CC)c1ccc(CNC(=O)NCCc2cn3c([nH+]2)CCCC3)cc1 ZINC000080010184 494569446 /nfs/dbraw/zinc/56/94/46/494569446.db2.gz UTJPRIKEHVJPOT-UHFFFAOYSA-N 1 2 369.513 3.108 20 10 FGCDLO CN(Cc1ccccc1O)C(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000115842804 494637550 /nfs/dbraw/zinc/63/75/50/494637550.db2.gz JXCGIPHTZJPINU-MRXNPFEDSA-N 1 2 363.408 3.115 20 10 FGCDLO OCCn1nccc1C1CC[NH+](Cc2cc(Cl)cc(Cl)c2O)CC1 ZINC000092811250 494755352 /nfs/dbraw/zinc/75/53/52/494755352.db2.gz ZRSNHZMQWXLCLI-UHFFFAOYSA-N 1 2 370.280 3.267 20 10 FGCDLO COc1ccc(O)c(C[N@@H+]2Cc3ccccc3C[C@@H]2c2nnc(C)o2)c1 ZINC000179817763 495746583 /nfs/dbraw/zinc/74/65/83/495746583.db2.gz DVUGVCGGCRRNCG-GOSISDBHSA-N 1 2 351.406 3.392 20 10 FGCDLO COc1ccc(O)c(C[N@H+]2Cc3ccccc3C[C@@H]2c2nnc(C)o2)c1 ZINC000179817763 495746587 /nfs/dbraw/zinc/74/65/87/495746587.db2.gz DVUGVCGGCRRNCG-GOSISDBHSA-N 1 2 351.406 3.392 20 10 FGCDLO C[C@@H]([NH2+][C@@H](CN1CCCC1=O)c1ccccc1)c1cc([N+](=O)[O-])ccc1O ZINC000273302357 496768289 /nfs/dbraw/zinc/76/82/89/496768289.db2.gz BSRXVCNTPAZQEA-KDOFPFPSSA-N 1 2 369.421 3.315 20 10 FGCDLO CN(C)C(=O)Cc1nc(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)cs1 ZINC000264291777 496864192 /nfs/dbraw/zinc/86/41/92/496864192.db2.gz RUYAHROCDPGPKI-UHFFFAOYSA-N 1 2 372.538 3.004 20 10 FGCDLO CN(C)C(=O)Cc1nc(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)cs1 ZINC000264291777 496864196 /nfs/dbraw/zinc/86/41/96/496864196.db2.gz RUYAHROCDPGPKI-UHFFFAOYSA-N 1 2 372.538 3.004 20 10 FGCDLO CN(C)c1ccc(C[N@H+](Cc2nc3ccccc3c(=O)n2C)C2CC2)cc1 ZINC000269511342 496961724 /nfs/dbraw/zinc/96/17/24/496961724.db2.gz OLNBTMNLQSKFRT-UHFFFAOYSA-N 1 2 362.477 3.164 20 10 FGCDLO CN(C)c1ccc(C[N@@H+](Cc2nc3ccccc3c(=O)n2C)C2CC2)cc1 ZINC000269511342 496961729 /nfs/dbraw/zinc/96/17/29/496961729.db2.gz OLNBTMNLQSKFRT-UHFFFAOYSA-N 1 2 362.477 3.164 20 10 FGCDLO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000276899639 497682481 /nfs/dbraw/zinc/68/24/81/497682481.db2.gz ITXQKVNHSAAIES-DIFFPNOSSA-N 1 2 373.403 3.160 20 10 FGCDLO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3cc(Cl)cc(C(C)=O)c3O)[C@@H]2C1 ZINC000246894159 497819197 /nfs/dbraw/zinc/81/91/97/497819197.db2.gz RIPLBFQVSLPREV-DJIMGWMZSA-N 1 2 353.846 3.017 20 10 FGCDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3cc(Cl)cc(C(C)=O)c3O)[C@@H]2C1 ZINC000246894159 497819198 /nfs/dbraw/zinc/81/91/98/497819198.db2.gz RIPLBFQVSLPREV-DJIMGWMZSA-N 1 2 353.846 3.017 20 10 FGCDLO C[C@H]([NH2+][C@H](C(N)=O)c1ccccn1)c1ccc(N2CCCCCC2)cc1 ZINC000297417827 498442136 /nfs/dbraw/zinc/44/21/36/498442136.db2.gz UMAMSGRXXRWWRC-JXFKEZNVSA-N 1 2 352.482 3.339 20 10 FGCDLO C[C@@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)c1ccc(Cl)c(Cl)c1O ZINC000286876881 498538259 /nfs/dbraw/zinc/53/82/59/498538259.db2.gz CEOAXVUIIBDWMU-NXEZZACHSA-N 1 2 352.283 3.174 20 10 FGCDLO CCOCc1nc([C@@H](C)[NH2+]Cc2cc(Br)cc(C)c2O)no1 ZINC000290995665 498749533 /nfs/dbraw/zinc/74/95/33/498749533.db2.gz VNQYSHWIYKSVMY-SNVBAGLBSA-N 1 2 370.247 3.233 20 10 FGCDLO CC[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1cccc(Cl)c1O ZINC000287547416 498793967 /nfs/dbraw/zinc/79/39/67/498793967.db2.gz FKBAVYJALBXJPG-NWDGAFQWSA-N 1 2 350.768 3.250 20 10 FGCDLO C[C@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)c1cc(Br)cc(F)c1O ZINC000370400010 499216477 /nfs/dbraw/zinc/21/64/77/499216477.db2.gz WRTNWFORRGHUIB-GZMMTYOYSA-N 1 2 354.223 3.225 20 10 FGCDLO Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-])C2 ZINC000368314724 499284528 /nfs/dbraw/zinc/28/45/28/499284528.db2.gz FHTPCORHIPXQBW-CMPLNLGQSA-N 1 2 368.250 3.464 20 10 FGCDLO O=C(NCc1ccc(N2CCCC2)cc1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000369630904 499428684 /nfs/dbraw/zinc/42/86/84/499428684.db2.gz QSOYFPXMCAVXPU-HXUWFJFHSA-N 1 2 366.465 3.045 20 10 FGCDLO Oc1c(Br)cccc1C[N@@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000529665140 504755555 /nfs/dbraw/zinc/75/55/55/504755555.db2.gz KHFQYZUOOOFHTK-UHFFFAOYSA-N 1 2 360.255 3.380 20 10 FGCDLO Oc1c(Br)cccc1C[N@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000529665140 504755558 /nfs/dbraw/zinc/75/55/58/504755558.db2.gz KHFQYZUOOOFHTK-UHFFFAOYSA-N 1 2 360.255 3.380 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000120118268 700648732 /nfs/dbraw/zinc/64/87/32/700648732.db2.gz YAMUWBIJSRETGN-AWEZNQCLSA-N 1 2 368.861 3.347 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000120118268 700648734 /nfs/dbraw/zinc/64/87/34/700648734.db2.gz YAMUWBIJSRETGN-AWEZNQCLSA-N 1 2 368.861 3.347 20 10 FGCDLO COc1ccccc1C(=O)N1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000768253343 723651879 /nfs/dbraw/zinc/65/18/79/723651879.db2.gz ZZSJIMWOAOEWGF-UHFFFAOYSA-N 1 2 360.841 3.012 20 10 FGCDLO C[C@H]([NH2+]C[C@H](O)C(F)(F)F)c1cc(Br)cc(Cl)c1O ZINC000756449823 722964861 /nfs/dbraw/zinc/96/48/61/722964861.db2.gz OELWCOFZAOWGHW-CDUCUWFYSA-N 1 2 362.573 3.382 20 10 FGCDLO C[C@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)c1cc(F)cc(F)c1O ZINC000756509300 722965906 /nfs/dbraw/zinc/96/59/06/722965906.db2.gz AFFZGRQCNPNCMI-NSHDSACASA-N 1 2 355.406 3.066 20 10 FGCDLO C[C@H]([NH2+][C@H]1CN(C2CC2)C[C@H]1C)c1cc(Br)cc(F)c1O ZINC000756645817 722968121 /nfs/dbraw/zinc/96/81/21/722968121.db2.gz IYEGNEQNHPKVKL-FTGAXOIBSA-N 1 2 357.267 3.427 20 10 FGCDLO C[C@@H]([NH2+]CCC(=O)NC(C)(C)C)c1cc(Br)cc(F)c1O ZINC000756686054 722968681 /nfs/dbraw/zinc/96/86/81/722968681.db2.gz SUVMDGZXFCUPMT-SECBINFHSA-N 1 2 361.255 3.249 20 10 FGCDLO C[C@@H]([NH2+]Cc1ccnc(N(C)C)n1)c1cc(Br)c(F)cc1O ZINC000756789356 722970118 /nfs/dbraw/zinc/97/01/18/722970118.db2.gz HFCBIKYJCLKTEV-SECBINFHSA-N 1 2 369.238 3.001 20 10 FGCDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3c(F)ccc(O)c3O)n2)C1 ZINC000790070674 723102390 /nfs/dbraw/zinc/10/23/90/723102390.db2.gz YXPPMIKZVOMYFF-JTQLQIEISA-N 1 2 365.430 3.178 20 10 FGCDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3c(F)ccc(O)c3O)n2)C1 ZINC000790070674 723102392 /nfs/dbraw/zinc/10/23/92/723102392.db2.gz YXPPMIKZVOMYFF-JTQLQIEISA-N 1 2 365.430 3.178 20 10 FGCDLO C[C@@H]1C[NH+](Cc2ccc(OCc3ccccc3)cc2O)C[C@@H](C)S1=O ZINC000792192338 723320130 /nfs/dbraw/zinc/32/01/30/723320130.db2.gz MRJMOORRUIBHJE-HZPDHXFCSA-N 1 2 359.491 3.313 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2COC(=O)N(C)C)c1O ZINC000796550609 723643243 /nfs/dbraw/zinc/64/32/43/723643243.db2.gz IWANJTUGUYSWIW-OAHLLOKOSA-N 1 2 368.861 3.301 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2COC(=O)N(C)C)c1O ZINC000796550609 723643245 /nfs/dbraw/zinc/64/32/45/723643245.db2.gz IWANJTUGUYSWIW-OAHLLOKOSA-N 1 2 368.861 3.301 20 10 FGCDLO COc1cc(Br)cc(C[N@@H+]2CCc3ccc(O)cc3C2)c1O ZINC000768867155 723670236 /nfs/dbraw/zinc/67/02/36/723670236.db2.gz FAKNGAPUAGCPTL-UHFFFAOYSA-N 1 2 364.239 3.427 20 10 FGCDLO COc1cc(Br)cc(C[N@H+]2CCc3ccc(O)cc3C2)c1O ZINC000768867155 723670237 /nfs/dbraw/zinc/67/02/37/723670237.db2.gz FAKNGAPUAGCPTL-UHFFFAOYSA-N 1 2 364.239 3.427 20 10 FGCDLO Cc1ccccc1CC(=O)N1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000769213174 723679596 /nfs/dbraw/zinc/67/95/96/723679596.db2.gz LNRLIJIEKDOCPB-UHFFFAOYSA-N 1 2 358.869 3.241 20 10 FGCDLO COc1c(O)c(C[N@@H+]2CCO[C@H](C3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000775062947 723957596 /nfs/dbraw/zinc/95/75/96/723957596.db2.gz LNGSIZHDMMBKQR-INIZCTEOSA-N 1 2 350.415 3.090 20 10 FGCDLO COc1c(O)c(C[N@H+]2CCO[C@H](C3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000775062947 723957599 /nfs/dbraw/zinc/95/75/99/723957599.db2.gz LNGSIZHDMMBKQR-INIZCTEOSA-N 1 2 350.415 3.090 20 10 FGCDLO CC[C@H]([NH2+]C1CCN(CCC(=O)N(C)C)CC1)c1cc(Cl)ccc1O ZINC000775504064 723996842 /nfs/dbraw/zinc/99/68/42/723996842.db2.gz RPOWRFOQBOPNER-KRWDZBQOSA-N 1 2 367.921 3.029 20 10 FGCDLO Cc1cc(Cl)cc(C[NH+]2CCN(C(=O)c3ccc(F)cc3)CC2)c1O ZINC000775649989 724016092 /nfs/dbraw/zinc/01/60/92/724016092.db2.gz VWOBDRXKMYYPBV-UHFFFAOYSA-N 1 2 362.832 3.451 20 10 FGCDLO COc1ccc(OC)c(C[N@H+](CCO)Cc2cc(Cl)cc(F)c2O)c1 ZINC000775698676 724027215 /nfs/dbraw/zinc/02/72/15/724027215.db2.gz VOORBRAQKAUYPA-UHFFFAOYSA-N 1 2 369.820 3.196 20 10 FGCDLO COc1ccc(OC)c(C[N@@H+](CCO)Cc2cc(Cl)cc(F)c2O)c1 ZINC000775698676 724027217 /nfs/dbraw/zinc/02/72/17/724027217.db2.gz VOORBRAQKAUYPA-UHFFFAOYSA-N 1 2 369.820 3.196 20 10 FGCDLO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]Cc2cc(Cl)cc(F)c2O)cc1 ZINC000775990582 724094174 /nfs/dbraw/zinc/09/41/74/724094174.db2.gz VPSAMXAKXSPPKS-LBPRGKRZSA-N 1 2 371.861 3.445 20 10 FGCDLO C[C@@]1([NH2+]Cc2cc(Br)cc(Br)c2O)CCOC1 ZINC000776252765 724123815 /nfs/dbraw/zinc/12/38/15/724123815.db2.gz PKYDDDKNQRDDLU-GFCCVEGCSA-N 1 2 365.065 3.186 20 10 FGCDLO Oc1ccc(Cl)c(F)c1C[NH2+]Cc1ccncc1OC[C@H]1CCOC1 ZINC000808437015 725201106 /nfs/dbraw/zinc/20/11/06/725201106.db2.gz VWVPMLYDJRSOAO-LBPRGKRZSA-N 1 2 366.820 3.285 20 10 FGCDLO CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+]Cc2cccc(Cl)c2O)s1 ZINC000809721288 725262558 /nfs/dbraw/zinc/26/25/58/725262558.db2.gz PDYGIIIQBMMWNR-NXEZZACHSA-N 1 2 368.890 3.212 20 10 FGCDLO OC[C@]1(C[NH2+]Cc2cccc(Br)c2O)C[C@@H]1c1ccccc1 ZINC000810164484 725293900 /nfs/dbraw/zinc/29/39/00/725293900.db2.gz DWIRSSXIOPHDCW-CRAIPNDOSA-N 1 2 362.267 3.411 20 10 FGCDLO OC[C@@]1(F)C[N@H+](Cc2cc(Cl)c(F)cc2O)C[C@@H]1c1ccccc1 ZINC000824636531 729352021 /nfs/dbraw/zinc/35/20/21/729352021.db2.gz RSOVWRROCNDSFK-KDOFPFPSSA-N 1 2 353.796 3.485 20 10 FGCDLO OC[C@@]1(F)C[N@@H+](Cc2cc(Cl)c(F)cc2O)C[C@@H]1c1ccccc1 ZINC000824636531 729352023 /nfs/dbraw/zinc/35/20/23/729352023.db2.gz RSOVWRROCNDSFK-KDOFPFPSSA-N 1 2 353.796 3.485 20 10 FGCDLO OC[C@@]1(F)C[N@H+](Cc2c(O)ccc(Cl)c2F)C[C@H]1c1ccccc1 ZINC000824637582 729352214 /nfs/dbraw/zinc/35/22/14/729352214.db2.gz YORGFURTOAUART-KSSFIOAISA-N 1 2 353.796 3.485 20 10 FGCDLO OC[C@@]1(F)C[N@@H+](Cc2c(O)ccc(Cl)c2F)C[C@H]1c1ccccc1 ZINC000824637582 729352216 /nfs/dbraw/zinc/35/22/16/729352216.db2.gz YORGFURTOAUART-KSSFIOAISA-N 1 2 353.796 3.485 20 10 FGCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CC[S@@](=O)C(C)(C)CC2)c1 ZINC000825024449 729368176 /nfs/dbraw/zinc/36/81/76/729368176.db2.gz PHWPZAZNOJVTBS-HXUWFJFHSA-N 1 2 360.317 3.196 20 10 FGCDLO Cc1cc(Br)c(O)c(C[N@H+]2CC[S@@](=O)C(C)(C)CC2)c1 ZINC000825024449 729368178 /nfs/dbraw/zinc/36/81/78/729368178.db2.gz PHWPZAZNOJVTBS-HXUWFJFHSA-N 1 2 360.317 3.196 20 10 FGCDLO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000826893968 729418262 /nfs/dbraw/zinc/41/82/62/729418262.db2.gz HKQPVYCJCHNWKA-BDAKNGLRSA-N 1 2 369.742 3.358 20 10 FGCDLO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000826893968 729418263 /nfs/dbraw/zinc/41/82/63/729418263.db2.gz HKQPVYCJCHNWKA-BDAKNGLRSA-N 1 2 369.742 3.358 20 10 FGCDLO CC(C)c1nnc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2Cl)[nH]1 ZINC000834871987 729840398 /nfs/dbraw/zinc/84/03/98/729840398.db2.gz OUHFKTTURHNJNZ-ZDUSSCGKSA-N 1 2 363.893 3.269 20 10 FGCDLO Cc1nc([C@H](C)[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)cs1 ZINC000840757476 730170212 /nfs/dbraw/zinc/17/02/12/730170212.db2.gz KXVUJLWQDBMGQQ-NSHDSACASA-N 1 2 353.438 3.417 20 10 FGCDLO Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(N(C)C)cc3C)CC2)s1 ZINC000840911931 730190302 /nfs/dbraw/zinc/19/03/02/730190302.db2.gz UXLZMHPRSCZXJE-UHFFFAOYSA-N 1 2 357.523 3.389 20 10 FGCDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)NCc1cc(Cl)ccc1O ZINC000844869217 730783065 /nfs/dbraw/zinc/78/30/65/730783065.db2.gz PRECXDFEMDTQMM-UHFFFAOYSA-N 1 2 360.845 3.040 20 10 FGCDLO C[C@@H]([NH2+]CCO[C@@H]1CC1(F)F)c1cc(Br)cc(F)c1O ZINC000850521395 731369053 /nfs/dbraw/zinc/36/90/53/731369053.db2.gz UHGMGLSHKCBBNO-RDDDGLTNSA-N 1 2 354.166 3.369 20 10 FGCDLO COC(=O)C1=CC[C@H]([NH2+][C@@H](C)c2cc(Br)c(F)cc2O)C1 ZINC000858473606 732218372 /nfs/dbraw/zinc/21/83/72/732218372.db2.gz PILSMIJEINNABN-WPRPVWTQSA-N 1 2 358.207 3.206 20 10 FGCDLO COC(=O)C1=CC[C@@H]([NH2+][C@H](C)c2cc(Br)c(F)cc2O)C1 ZINC000858473603 732218405 /nfs/dbraw/zinc/21/84/05/732218405.db2.gz PILSMIJEINNABN-PSASIEDQSA-N 1 2 358.207 3.206 20 10 FGCDLO OCCOC1(C[NH2+]Cc2cc(Cl)cc(F)c2O)CCC(F)(F)CC1 ZINC000862475178 732839309 /nfs/dbraw/zinc/83/93/09/732839309.db2.gz BMZYICJWWMXVSR-UHFFFAOYSA-N 1 2 367.795 3.231 20 10 FGCDLO C[C@@H](C[NH2+]Cc1cccc(Cl)c1O)c1ccc(S(C)(=O)=O)cc1 ZINC000877729371 736710241 /nfs/dbraw/zinc/71/02/41/736710241.db2.gz RAOFXYYYFMEEGA-LBPRGKRZSA-N 1 2 353.871 3.342 20 10 FGCDLO C[NH+](C)Cc1cc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)ccn1 ZINC000880614170 737192379 /nfs/dbraw/zinc/19/23/79/737192379.db2.gz RKERHYRCKIKLGR-UHFFFAOYSA-N 1 2 369.252 3.477 20 10 FGCDLO Cn1ncc2c1CCC[C@H]2[NH2+]Cc1cc(Br)cc(F)c1O ZINC000882887726 737501112 /nfs/dbraw/zinc/50/11/12/737501112.db2.gz DCHRSLOSYSCGPC-CYBMUJFWSA-N 1 2 354.223 3.195 20 10 FGCDLO C[C@H](CO[C@H]1CCOC1)[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000883034100 737514376 /nfs/dbraw/zinc/51/43/76/737514376.db2.gz LSKSKVUHRWLCQB-SKDRFNHKSA-N 1 2 364.667 3.092 20 10 FGCDLO Oc1c(F)cc(Br)cc1C[NH2+]Cc1cnc2n1CCCC2 ZINC000883114397 737525224 /nfs/dbraw/zinc/52/52/24/737525224.db2.gz UCBZGGGOWDHPJO-UHFFFAOYSA-N 1 2 354.223 3.116 20 10 FGCDLO CCc1nnc(C[NH2+]Cc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)s1 ZINC000892622544 740024455 /nfs/dbraw/zinc/02/44/55/740024455.db2.gz QXLGSCOCKXVCKP-CHWSQXEVSA-N 1 2 364.490 3.143 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)N[C@H](C)c3ccncc3)CC2)cc1 ZINC000066174622 494282911 /nfs/dbraw/zinc/28/29/11/494282911.db2.gz FJFVGIHDKJPISS-MRXNPFEDSA-N 1 2 368.481 3.462 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)NC3CCSCC3)CC2)cc1 ZINC000066193514 494287824 /nfs/dbraw/zinc/28/78/24/494287824.db2.gz WRRGMRTYGHIVGR-UHFFFAOYSA-N 1 2 363.527 3.201 20 10 FGCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c1O ZINC000179506362 495619883 /nfs/dbraw/zinc/61/98/83/495619883.db2.gz IDCJBKWNHNNBTM-CYBMUJFWSA-N 1 2 358.417 3.109 20 10 FGCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c1O ZINC000179506362 495619887 /nfs/dbraw/zinc/61/98/87/495619887.db2.gz IDCJBKWNHNNBTM-CYBMUJFWSA-N 1 2 358.417 3.109 20 10 FGCDLO COCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1O)CC2 ZINC000186103446 495857339 /nfs/dbraw/zinc/85/73/39/495857339.db2.gz KKBATDGNKZCYGY-VHSXEESVSA-N 1 2 371.268 3.103 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)c1O ZINC000177452581 496067618 /nfs/dbraw/zinc/06/76/18/496067618.db2.gz SJRSECQZQNTUMH-QGZVFWFLSA-N 1 2 367.873 3.408 20 10 FGCDLO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000155852130 496087368 /nfs/dbraw/zinc/08/73/68/496087368.db2.gz NQLFIDQRRRHZMZ-GOSISDBHSA-N 1 2 352.482 3.094 20 10 FGCDLO C[C@H]([NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(F)c(F)c1O ZINC000187808226 496579302 /nfs/dbraw/zinc/57/93/02/496579302.db2.gz YNCPCEQZUBVJLU-ZFWWWQNUSA-N 1 2 360.404 3.370 20 10 FGCDLO C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1)c1cc([N+](=O)[O-])ccc1O ZINC000273527161 496830975 /nfs/dbraw/zinc/83/09/75/496830975.db2.gz VOOVBSFWECBXAG-CJNGLKHVSA-N 1 2 371.441 3.009 20 10 FGCDLO COc1c(O)c(C[N@H+]2C[C@@H](c3ccsc3)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000278166012 497025639 /nfs/dbraw/zinc/02/56/39/497025639.db2.gz FESOUENRGZMSTD-NHYWBVRUSA-N 1 2 364.423 3.333 20 10 FGCDLO COc1c(O)c(C[N@@H+]2C[C@@H](c3ccsc3)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000278166012 497025646 /nfs/dbraw/zinc/02/56/46/497025646.db2.gz FESOUENRGZMSTD-NHYWBVRUSA-N 1 2 364.423 3.333 20 10 FGCDLO CCCOc1ccc(C[N@H+](C)Cc2ccc(S(C)(=O)=O)cc2)c(O)c1 ZINC000271201806 497289130 /nfs/dbraw/zinc/28/91/30/497289130.db2.gz QCZOSLCTXDPKLF-UHFFFAOYSA-N 1 2 363.479 3.217 20 10 FGCDLO CCCOc1ccc(C[N@@H+](C)Cc2ccc(S(C)(=O)=O)cc2)c(O)c1 ZINC000271201806 497289135 /nfs/dbraw/zinc/28/91/35/497289135.db2.gz QCZOSLCTXDPKLF-UHFFFAOYSA-N 1 2 363.479 3.217 20 10 FGCDLO Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+][C@H](C)c3cc([N+](=O)[O-])ccc3O)n2)c1 ZINC000279620724 497489361 /nfs/dbraw/zinc/48/93/61/497489361.db2.gz YGTZTUNBFBLVSM-NEPJUHHUSA-N 1 2 368.397 3.201 20 10 FGCDLO CO[C@@H](C)c1noc(C[N@H+](C)Cc2ccc(N(C)C)cc2C(F)(F)F)n1 ZINC000280200928 497678880 /nfs/dbraw/zinc/67/88/80/497678880.db2.gz INVAGUNKYMBHLQ-NSHDSACASA-N 1 2 372.391 3.494 20 10 FGCDLO CO[C@@H](C)c1noc(C[N@@H+](C)Cc2ccc(N(C)C)cc2C(F)(F)F)n1 ZINC000280200928 497678884 /nfs/dbraw/zinc/67/88/84/497678884.db2.gz INVAGUNKYMBHLQ-NSHDSACASA-N 1 2 372.391 3.494 20 10 FGCDLO CO[C@H](C)c1noc(C[N@H+](C)Cc2ccc(N(C)C)cc2C(F)(F)F)n1 ZINC000280200925 497678982 /nfs/dbraw/zinc/67/89/82/497678982.db2.gz INVAGUNKYMBHLQ-LLVKDONJSA-N 1 2 372.391 3.494 20 10 FGCDLO CO[C@H](C)c1noc(C[N@@H+](C)Cc2ccc(N(C)C)cc2C(F)(F)F)n1 ZINC000280200925 497678987 /nfs/dbraw/zinc/67/89/87/497678987.db2.gz INVAGUNKYMBHLQ-LLVKDONJSA-N 1 2 372.391 3.494 20 10 FGCDLO COc1ccc(OC)c([C@@H](O)C[NH2+][C@H](C)c2ccc(F)c(F)c2O)c1 ZINC000191193970 497740189 /nfs/dbraw/zinc/74/01/89/497740189.db2.gz YRPNXPVJIOQDRC-BMIGLBTASA-N 1 2 353.365 3.072 20 10 FGCDLO c1nnc([C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C2CCCCC2)[nH]1 ZINC000292084533 497870826 /nfs/dbraw/zinc/87/08/26/497870826.db2.gz ILCQEBFMJXJMPF-LJQANCHMSA-N 1 2 355.486 3.053 20 10 FGCDLO C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)Cc2ccccc2)C1)c1ccc(F)c(F)c1O ZINC000364797211 498147832 /nfs/dbraw/zinc/14/78/32/498147832.db2.gz XQTNONBIUVSLJZ-ZBFHGGJFSA-N 1 2 374.431 3.412 20 10 FGCDLO Oc1c(Br)cccc1C[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1 ZINC000289512744 498175578 /nfs/dbraw/zinc/17/55/78/498175578.db2.gz DGJIJFIRRNTBHD-KOLCDFICSA-N 1 2 354.166 3.354 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)c3ccc(C)c(O)c3O)CC2)cc1 ZINC000365046423 498271426 /nfs/dbraw/zinc/27/14/26/498271426.db2.gz WWSNCAXZWNYQFC-UHFFFAOYSA-N 1 2 370.449 3.156 20 10 FGCDLO COc1ccc(N2CCC[N@H+](Cc3nccn3CC(F)(F)F)CC2)cc1 ZINC000361582038 498408961 /nfs/dbraw/zinc/40/89/61/498408961.db2.gz MQPHCYQHTMMUHU-UHFFFAOYSA-N 1 2 368.403 3.166 20 10 FGCDLO COc1ccc(N2CCC[N@@H+](Cc3nccn3CC(F)(F)F)CC2)cc1 ZINC000361582038 498408967 /nfs/dbraw/zinc/40/89/67/498408967.db2.gz MQPHCYQHTMMUHU-UHFFFAOYSA-N 1 2 368.403 3.166 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)C[C@H](O)CC(C)(C)C)CC2)cc1 ZINC000365861326 498675280 /nfs/dbraw/zinc/67/52/80/498675280.db2.gz MNHUJUYNXAELCM-SFHVURJKSA-N 1 2 362.514 3.310 20 10 FGCDLO C[C@H]([NH2+]Cc1ccncc1OC[C@@H]1CCOC1)c1ccc(F)c(F)c1O ZINC000287408573 498745779 /nfs/dbraw/zinc/74/57/79/498745779.db2.gz RHZXJWTVLCPFBE-QWHCGFSZSA-N 1 2 364.392 3.332 20 10 FGCDLO CCCCN(Cc1ccccc1O)C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000287732629 498850336 /nfs/dbraw/zinc/85/03/36/498850336.db2.gz CXZPOXXFNYPGFF-UHFFFAOYSA-N 1 2 354.441 3.498 20 10 FGCDLO C[C@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1)c1ccc(Cl)c(Cl)c1O ZINC000363864154 499031021 /nfs/dbraw/zinc/03/10/21/499031021.db2.gz CLKFERKNXQIIRH-QWRGUYRKSA-N 1 2 355.269 3.362 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)NC[C@H](C)SC)CC2)cc1 ZINC000372822938 499180621 /nfs/dbraw/zinc/18/06/21/499180621.db2.gz SFABXRIOQXISLH-AWEZNQCLSA-N 1 2 351.516 3.057 20 10 FGCDLO CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000370621914 499236480 /nfs/dbraw/zinc/23/64/80/499236480.db2.gz JGTNTLGUNTUZAU-NSHDSACASA-N 1 2 366.824 3.246 20 10 FGCDLO CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000370621914 499236482 /nfs/dbraw/zinc/23/64/82/499236482.db2.gz JGTNTLGUNTUZAU-NSHDSACASA-N 1 2 366.824 3.246 20 10 FGCDLO CC[C@@H]([NH2+][C@H]1CCCN(Cc2noc(C)n2)C1)c1cccc(Cl)c1O ZINC000367895612 499242546 /nfs/dbraw/zinc/24/25/46/499242546.db2.gz JVCMIMXHDANERL-XJKSGUPXSA-N 1 2 364.877 3.442 20 10 FGCDLO CC[C@@H]([NH2+]Cc1nnc2n1CCOC2)c1cc(Cl)cc(Cl)c1O ZINC000367897011 499243045 /nfs/dbraw/zinc/24/30/45/499243045.db2.gz QGAJNCGLIHBMTH-GFCCVEGCSA-N 1 2 357.241 3.062 20 10 FGCDLO CCOCCCCNC(=O)N(C)C1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000368917411 499346144 /nfs/dbraw/zinc/34/61/44/499346144.db2.gz DNJMQPUYQTYIRV-UHFFFAOYSA-N 1 2 363.502 3.122 20 10 FGCDLO O=C1CCCC(=O)N1C1CC[NH+](Cc2cc(Cl)cc(Cl)c2O)CC1 ZINC000375333496 499508231 /nfs/dbraw/zinc/50/82/31/499508231.db2.gz SUMCHFIKNUREKX-UHFFFAOYSA-N 1 2 371.264 3.203 20 10 FGCDLO Cc1c2ccccc2n(C)c1CNC(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000471863546 502158320 /nfs/dbraw/zinc/15/83/20/502158320.db2.gz OZMMTSZKJHQFSJ-UHFFFAOYSA-N 1 2 361.449 3.442 20 10 FGCDLO COc1cccc(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)c1O ZINC000528862484 504421503 /nfs/dbraw/zinc/42/15/03/504421503.db2.gz RDOCYZWJKPSJIV-KRWDZBQOSA-N 1 2 374.868 3.335 20 10 FGCDLO COc1cccc(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)c1O ZINC000528862484 504421506 /nfs/dbraw/zinc/42/15/06/504421506.db2.gz RDOCYZWJKPSJIV-KRWDZBQOSA-N 1 2 374.868 3.335 20 10 FGCDLO COC(=O)C[N@H+](CCc1csc(C)n1)Cc1cc(Cl)ccc1O ZINC000128407877 700774555 /nfs/dbraw/zinc/77/45/55/700774555.db2.gz QMRLKYCCRYIVQG-UHFFFAOYSA-N 1 2 354.859 3.028 20 10 FGCDLO COC(=O)C[N@@H+](CCc1csc(C)n1)Cc1cc(Cl)ccc1O ZINC000128407877 700774556 /nfs/dbraw/zinc/77/45/56/700774556.db2.gz QMRLKYCCRYIVQG-UHFFFAOYSA-N 1 2 354.859 3.028 20 10 FGCDLO C[C@H](CC[S@@](C)=O)[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000756741109 722969357 /nfs/dbraw/zinc/96/93/57/722969357.db2.gz CQMRBMHIBFHPHG-BLBZPCKPSA-N 1 2 352.269 3.102 20 10 FGCDLO Cc1nnc([C@H]2CCC[N@H+](Cc3cc(C)cc(Br)c3O)C2)[nH]1 ZINC000781907167 724610398 /nfs/dbraw/zinc/61/03/98/724610398.db2.gz FGAARQKIOVHWHO-LBPRGKRZSA-N 1 2 365.275 3.269 20 10 FGCDLO Cc1nnc([C@H]2CCC[N@@H+](Cc3cc(C)cc(Br)c3O)C2)[nH]1 ZINC000781907167 724610399 /nfs/dbraw/zinc/61/03/99/724610399.db2.gz FGAARQKIOVHWHO-LBPRGKRZSA-N 1 2 365.275 3.269 20 10 FGCDLO Cc1n[nH]c([C@H]2CCC[N@H+](Cc3cc(C)cc(Br)c3O)C2)n1 ZINC000781907167 724610401 /nfs/dbraw/zinc/61/04/01/724610401.db2.gz FGAARQKIOVHWHO-LBPRGKRZSA-N 1 2 365.275 3.269 20 10 FGCDLO Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3cc(C)cc(Br)c3O)C2)n1 ZINC000781907167 724610402 /nfs/dbraw/zinc/61/04/02/724610402.db2.gz FGAARQKIOVHWHO-LBPRGKRZSA-N 1 2 365.275 3.269 20 10 FGCDLO Cc1nc([C@H]2CCC[N@H+](Cc3cc(C)cc(Br)c3O)C2)n[nH]1 ZINC000781907167 724610403 /nfs/dbraw/zinc/61/04/03/724610403.db2.gz FGAARQKIOVHWHO-LBPRGKRZSA-N 1 2 365.275 3.269 20 10 FGCDLO Cc1nc([C@H]2CCC[N@@H+](Cc3cc(C)cc(Br)c3O)C2)n[nH]1 ZINC000781907167 724610404 /nfs/dbraw/zinc/61/04/04/724610404.db2.gz FGAARQKIOVHWHO-LBPRGKRZSA-N 1 2 365.275 3.269 20 10 FGCDLO CC(=O)NC1CCC([N@H+](C)Cc2cccc(Br)c2O)CC1 ZINC000753588276 722905657 /nfs/dbraw/zinc/90/56/57/722905657.db2.gz CETSHYWJUPPPIL-UHFFFAOYSA-N 1 2 355.276 3.034 20 10 FGCDLO CC(=O)NC1CCC([N@@H+](C)Cc2cccc(Br)c2O)CC1 ZINC000753588276 722905659 /nfs/dbraw/zinc/90/56/59/722905659.db2.gz CETSHYWJUPPPIL-UHFFFAOYSA-N 1 2 355.276 3.034 20 10 FGCDLO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2Cc2c(O)ccc(Cl)c2F)C[C@@H](C)O1 ZINC000792167325 723317329 /nfs/dbraw/zinc/31/73/29/723317329.db2.gz NFPFASKWZZIUOJ-MGPQQGTHSA-N 1 2 356.869 3.258 20 10 FGCDLO C[C@@H]1CN(C[C@H]2CCC[N@H+]2Cc2c(O)ccc(Cl)c2F)C[C@@H](C)O1 ZINC000792167325 723317331 /nfs/dbraw/zinc/31/73/31/723317331.db2.gz NFPFASKWZZIUOJ-MGPQQGTHSA-N 1 2 356.869 3.258 20 10 FGCDLO CCN(CC)c1ccc(C[NH+]2CCN(c3nc(C)ns3)CC2)cc1F ZINC000769486510 723687026 /nfs/dbraw/zinc/68/70/26/723687026.db2.gz BFKOVTIBVOPGHC-UHFFFAOYSA-N 1 2 363.506 3.154 20 10 FGCDLO OC[C@@H](C[NH2+]Cc1cccc(Cl)c1O)Cc1cc(F)c(F)c(F)c1 ZINC000775168720 723967462 /nfs/dbraw/zinc/96/74/62/723967462.db2.gz RGNMTRIYYDTUHD-LLVKDONJSA-N 1 2 359.775 3.404 20 10 FGCDLO CCc1nsc(N2CCC[N@H+](Cc3cc(Cl)cc(F)c3O)CC2)n1 ZINC000775735089 724034240 /nfs/dbraw/zinc/03/42/40/724034240.db2.gz GEBIMHAKNCZALP-UHFFFAOYSA-N 1 2 370.881 3.311 20 10 FGCDLO CCc1nsc(N2CCC[N@@H+](Cc3cc(Cl)cc(F)c3O)CC2)n1 ZINC000775735089 724034246 /nfs/dbraw/zinc/03/42/46/724034246.db2.gz GEBIMHAKNCZALP-UHFFFAOYSA-N 1 2 370.881 3.311 20 10 FGCDLO COc1cc(C[C@H](CO)C[NH2+]Cc2cccc(Cl)c2O)cc(OC)c1 ZINC000776231160 724121822 /nfs/dbraw/zinc/12/18/22/724121822.db2.gz NRDHXDLOUXLAJO-AWEZNQCLSA-N 1 2 365.857 3.004 20 10 FGCDLO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](S(C)(=O)=O)CC2)cc1F ZINC000800535140 724210323 /nfs/dbraw/zinc/21/03/23/724210323.db2.gz ZZEMMVABJCIFAN-INIZCTEOSA-N 1 2 356.507 3.071 20 10 FGCDLO CCN(CC)c1ccc(C[N@H+]2CCC[C@H](S(C)(=O)=O)CC2)cc1F ZINC000800535140 724210325 /nfs/dbraw/zinc/21/03/25/724210325.db2.gz ZZEMMVABJCIFAN-INIZCTEOSA-N 1 2 356.507 3.071 20 10 FGCDLO COC(=O)C[N@H+](Cc1cc(Cl)ccc1O)C[C@@H](OC)c1ccccc1 ZINC000801932620 724347653 /nfs/dbraw/zinc/34/76/53/724347653.db2.gz RUZWOPHBCRSFLI-GOSISDBHSA-N 1 2 363.841 3.408 20 10 FGCDLO COC(=O)C[N@@H+](Cc1cc(Cl)ccc1O)C[C@@H](OC)c1ccccc1 ZINC000801932620 724347655 /nfs/dbraw/zinc/34/76/55/724347655.db2.gz RUZWOPHBCRSFLI-GOSISDBHSA-N 1 2 363.841 3.408 20 10 FGCDLO COC(=O)C[C@@](C)([NH2+]Cc1cc(Cl)cc(F)c1O)c1ccncc1 ZINC000789553751 725136273 /nfs/dbraw/zinc/13/62/73/725136273.db2.gz DGUPDJVQXNPTEP-QGZVFWFLSA-N 1 2 352.793 3.148 20 10 FGCDLO Cc1cc(Br)c(O)c(C[NH2+]Cc2nccc(C(F)F)n2)c1 ZINC000808434525 725200934 /nfs/dbraw/zinc/20/09/34/725200934.db2.gz AGORIKUETPAABE-UHFFFAOYSA-N 1 2 358.186 3.481 20 10 FGCDLO C[N@H+](CCn1cc(Br)cn1)Cc1cc(Cl)cc(F)c1O ZINC000809792676 725269139 /nfs/dbraw/zinc/26/91/39/725269139.db2.gz CZJIYZOBTSAMEZ-UHFFFAOYSA-N 1 2 362.630 3.276 20 10 FGCDLO C[N@@H+](CCn1cc(Br)cn1)Cc1cc(Cl)cc(F)c1O ZINC000809792676 725269140 /nfs/dbraw/zinc/26/91/40/725269140.db2.gz CZJIYZOBTSAMEZ-UHFFFAOYSA-N 1 2 362.630 3.276 20 10 FGCDLO CCc1nnc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2Cl)s1 ZINC000810259079 725300500 /nfs/dbraw/zinc/30/05/00/725300500.db2.gz ASHHAMQWGKGSCG-GFCCVEGCSA-N 1 2 366.918 3.441 20 10 FGCDLO C[N@H+](Cc1cn(-c2ccccc2Br)nn1)Cc1ccccc1O ZINC000811458603 725366465 /nfs/dbraw/zinc/36/64/65/725366465.db2.gz YWKOWFDIOOILAH-UHFFFAOYSA-N 1 2 373.254 3.367 20 10 FGCDLO C[N@@H+](Cc1cn(-c2ccccc2Br)nn1)Cc1ccccc1O ZINC000811458603 725366466 /nfs/dbraw/zinc/36/64/66/725366466.db2.gz YWKOWFDIOOILAH-UHFFFAOYSA-N 1 2 373.254 3.367 20 10 FGCDLO CC[C@H](O)C[NH2+][C@@H](C)c1cc(Br)cc(Br)c1O ZINC000813884646 726920679 /nfs/dbraw/zinc/92/06/79/726920679.db2.gz NDVOYMHDFLHMDR-CBAPKCEASA-N 1 2 367.081 3.339 20 10 FGCDLO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ncc(Br)cn1 ZINC000814302009 726954649 /nfs/dbraw/zinc/95/46/49/726954649.db2.gz MPIIMUHBHXKNAC-SNVBAGLBSA-N 1 2 353.239 3.295 20 10 FGCDLO Oc1cc(F)c(Cl)cc1C[NH2+]CC1(N2CCCCC2)CCOCC1 ZINC000816563420 727176202 /nfs/dbraw/zinc/17/62/02/727176202.db2.gz XIHHDZMIBPRPAW-UHFFFAOYSA-N 1 2 356.869 3.309 20 10 FGCDLO CCn1nc(C)c(C[NH2+][C@@H](C)c2cc(Br)cc(F)c2O)n1 ZINC000818347258 727308837 /nfs/dbraw/zinc/30/88/37/727308837.db2.gz YSWZJAMEWWNNKX-QMMMGPOBSA-N 1 2 357.227 3.064 20 10 FGCDLO O=C(CCCc1ccccc1)NCC[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000822498137 729182474 /nfs/dbraw/zinc/18/24/74/729182474.db2.gz VBOFOJZZUVDZPK-UHFFFAOYSA-N 1 2 364.848 3.413 20 10 FGCDLO Cc1nc(C2([NH2+]Cc3ccc(Br)cc3O)CCCC2)no1 ZINC000825197061 729374262 /nfs/dbraw/zinc/37/42/62/729374262.db2.gz FCMZWBFVFMRASF-UHFFFAOYSA-N 1 2 352.232 3.405 20 10 FGCDLO Cc1cc(C(=O)C[N@H+](C)C[C@@H]2CCCO2)c(C)n1-c1ccc(Cl)cn1 ZINC000827434900 729430074 /nfs/dbraw/zinc/43/00/74/729430074.db2.gz NWAQKMRTAUDFTO-INIZCTEOSA-N 1 2 361.873 3.436 20 10 FGCDLO Cc1cc(C(=O)C[N@@H+](C)C[C@@H]2CCCO2)c(C)n1-c1ccc(Cl)cn1 ZINC000827434900 729430075 /nfs/dbraw/zinc/43/00/75/729430075.db2.gz NWAQKMRTAUDFTO-INIZCTEOSA-N 1 2 361.873 3.436 20 10 FGCDLO Cc1cc(C(=O)C[N@@H+](C)[C@@H]2CCCOC2)c(C)n1-c1ccc(Cl)cn1 ZINC000829699903 729504338 /nfs/dbraw/zinc/50/43/38/729504338.db2.gz JBHWJMAXVVJABA-MRXNPFEDSA-N 1 2 361.873 3.436 20 10 FGCDLO Cc1cc(C(=O)C[N@H+](C)[C@@H]2CCCOC2)c(C)n1-c1ccc(Cl)cn1 ZINC000829699903 729504340 /nfs/dbraw/zinc/50/43/40/729504340.db2.gz JBHWJMAXVVJABA-MRXNPFEDSA-N 1 2 361.873 3.436 20 10 FGCDLO Cc1cc(C(=O)C[N@@H+](C)[C@H]2CCCOC2)c(C)n1-c1ccc(Cl)cn1 ZINC000829699902 729504457 /nfs/dbraw/zinc/50/44/57/729504457.db2.gz JBHWJMAXVVJABA-INIZCTEOSA-N 1 2 361.873 3.436 20 10 FGCDLO Cc1cc(C(=O)C[N@H+](C)[C@H]2CCCOC2)c(C)n1-c1ccc(Cl)cn1 ZINC000829699902 729504459 /nfs/dbraw/zinc/50/44/59/729504459.db2.gz JBHWJMAXVVJABA-INIZCTEOSA-N 1 2 361.873 3.436 20 10 FGCDLO COCC(COC)[NH2+][C@H](C)c1cc(Br)cc(Cl)c1O ZINC000834891629 729844055 /nfs/dbraw/zinc/84/40/55/729844055.db2.gz PRDWWIIJSBNFFE-MRVPVSSYSA-N 1 2 352.656 3.120 20 10 FGCDLO C[C@H]([NH2+][C@@H]1CCN(CC(F)F)C1)c1cc(Br)cc(F)c1O ZINC000841765375 730272278 /nfs/dbraw/zinc/27/22/78/730272278.db2.gz RCFLVJPKZNKOMY-WCBMZHEXSA-N 1 2 367.209 3.284 20 10 FGCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCO[C@]3(CCSC3)C2)c1 ZINC000843417570 730618027 /nfs/dbraw/zinc/61/80/27/730618027.db2.gz ISGFBUZSNQWUBT-OAHLLOKOSA-N 1 2 358.301 3.171 20 10 FGCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCO[C@]3(CCSC3)C2)c1 ZINC000843417570 730618029 /nfs/dbraw/zinc/61/80/29/730618029.db2.gz ISGFBUZSNQWUBT-OAHLLOKOSA-N 1 2 358.301 3.171 20 10 FGCDLO CCc1nnc([C@H](C)[N@H+](CC)Cc2cc(Br)ccc2O)[nH]1 ZINC000851792595 731498844 /nfs/dbraw/zinc/49/88/44/731498844.db2.gz MSBXDQLXRMUSDL-JTQLQIEISA-N 1 2 353.264 3.418 20 10 FGCDLO CCc1nnc([C@H](C)[N@@H+](CC)Cc2cc(Br)ccc2O)[nH]1 ZINC000851792595 731498850 /nfs/dbraw/zinc/49/88/50/731498850.db2.gz MSBXDQLXRMUSDL-JTQLQIEISA-N 1 2 353.264 3.418 20 10 FGCDLO C[C@@H]([NH2+]CCN(C)CC(F)F)c1cc(Br)c(F)cc1O ZINC000858596829 732229890 /nfs/dbraw/zinc/22/98/90/732229890.db2.gz JHQUABQVTAJMCF-MRVPVSSYSA-N 1 2 355.198 3.141 20 10 FGCDLO Cc1ccc(O)c(CNC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c1 ZINC000860300567 732492431 /nfs/dbraw/zinc/49/24/31/732492431.db2.gz CZLCWFQCPTXYDT-UHFFFAOYSA-N 1 2 360.483 3.465 20 10 FGCDLO CCC1(CC)C[N@H+](Cc2c(O)cccc2Br)CC[S@]1=O ZINC000862327407 732808530 /nfs/dbraw/zinc/80/85/30/732808530.db2.gz CETJASMVTZUIHL-HXUWFJFHSA-N 1 2 360.317 3.278 20 10 FGCDLO CCC1(CC)C[N@@H+](Cc2c(O)cccc2Br)CC[S@]1=O ZINC000862327407 732808534 /nfs/dbraw/zinc/80/85/34/732808534.db2.gz CETJASMVTZUIHL-HXUWFJFHSA-N 1 2 360.317 3.278 20 10 FGCDLO C[C@@H]([NH2+][C@@H](C)c1cc(Br)cc(F)c1O)[C@H](O)C(F)(F)F ZINC000866463707 733352802 /nfs/dbraw/zinc/35/28/02/733352802.db2.gz PYDXZEQAVXRHMJ-CPZGKSPBSA-N 1 2 360.145 3.256 20 10 FGCDLO COc1cccc([C@H](O)C[NH2+]Cc2cc(Br)cc(F)c2O)c1 ZINC000882992406 737509601 /nfs/dbraw/zinc/50/96/01/737509601.db2.gz VIBZOPRMKDJADB-OAHLLOKOSA-N 1 2 370.218 3.126 20 10 FGCDLO Oc1c(Cl)cccc1C[NH2+]Cc1sc(N2CCOCC2)nc1Cl ZINC000898218900 742760486 /nfs/dbraw/zinc/76/04/86/742760486.db2.gz SBIDZVNBSPZLCS-UHFFFAOYSA-N 1 2 374.293 3.282 20 10 FGCDLO Oc1c(Cl)cccc1C[NH2+][C@@H]1CCc2ncc(Br)n2C1 ZINC000898725318 742827076 /nfs/dbraw/zinc/82/70/76/742827076.db2.gz SKLMWADWPFYDCN-SNVBAGLBSA-N 1 2 356.651 3.109 20 10 FGCDLO C[C@H]([NH2+]CC1CC2(C1)OCCO2)c1cc(Br)cc(F)c1O ZINC000927005001 759874282 /nfs/dbraw/zinc/87/42/82/759874282.db2.gz WZYQGZFNGSFOMF-VIFPVBQESA-N 1 2 360.223 3.098 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)N[C@@H](C)c3ccccn3)CC2)cc1 ZINC000066174938 494282652 /nfs/dbraw/zinc/28/26/52/494282652.db2.gz PHMFNOSKKSCSBM-INIZCTEOSA-N 1 2 368.481 3.462 20 10 FGCDLO Cc1nnc([C@@H]2Cc3ccccc3C[N@@H+]2Cc2cc3c(cc2O)OCO3)o1 ZINC000092356001 494604946 /nfs/dbraw/zinc/60/49/46/494604946.db2.gz KHUVSAHXULVXTR-INIZCTEOSA-N 1 2 365.389 3.112 20 10 FGCDLO Cc1nnc([C@@H]2Cc3ccccc3C[N@H+]2Cc2cc3c(cc2O)OCO3)o1 ZINC000092356001 494604956 /nfs/dbraw/zinc/60/49/56/494604956.db2.gz KHUVSAHXULVXTR-INIZCTEOSA-N 1 2 365.389 3.112 20 10 FGCDLO COc1cc(O)c(C[N@@H+]2CCC[C@H]2c2nnc3n2CCCCC3)cc1OC ZINC000159856437 495825035 /nfs/dbraw/zinc/82/50/35/495825035.db2.gz VLNYIUMGPUPLML-HNNXBMFYSA-N 1 2 372.469 3.064 20 10 FGCDLO COc1cc(O)c(C[N@H+]2CCC[C@H]2c2nnc3n2CCCCC3)cc1OC ZINC000159856437 495825040 /nfs/dbraw/zinc/82/50/40/495825040.db2.gz VLNYIUMGPUPLML-HNNXBMFYSA-N 1 2 372.469 3.064 20 10 FGCDLO CC[N@H+](Cc1nc([C@@H](C)OC)no1)Cc1cc(Br)ccc1O ZINC000175285564 496323173 /nfs/dbraw/zinc/32/31/73/496323173.db2.gz AAKNEFPWNGFZNW-SNVBAGLBSA-N 1 2 370.247 3.267 20 10 FGCDLO CC[N@@H+](Cc1nc([C@@H](C)OC)no1)Cc1cc(Br)ccc1O ZINC000175285564 496323177 /nfs/dbraw/zinc/32/31/77/496323177.db2.gz AAKNEFPWNGFZNW-SNVBAGLBSA-N 1 2 370.247 3.267 20 10 FGCDLO C[C@@H]([NH2+]Cc1ccc(CN2CCCC2=O)cc1)c1cc([N+](=O)[O-])ccc1O ZINC000273407649 496796938 /nfs/dbraw/zinc/79/69/38/496796938.db2.gz OWUYHCDPCSZSMY-CQSZACIVSA-N 1 2 369.421 3.274 20 10 FGCDLO COc1cc(OC)c(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2O)c(OC)c1 ZINC000273446080 496807805 /nfs/dbraw/zinc/80/78/05/496807805.db2.gz ZXTHJJRNQIUILN-LLVKDONJSA-N 1 2 362.382 3.177 20 10 FGCDLO C[C@@H]([NH2+]Cc1cccc(C(=O)NC2CC2)c1)c1cc([N+](=O)[O-])ccc1O ZINC000273466036 496813570 /nfs/dbraw/zinc/81/35/70/496813570.db2.gz DSNGZVKFWBGGAY-GFCCVEGCSA-N 1 2 355.394 3.043 20 10 FGCDLO C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1)c1cc([N+](=O)[O-])ccc1O ZINC000273527172 496830195 /nfs/dbraw/zinc/83/01/95/496830195.db2.gz VOOVBSFWECBXAG-XJKSGUPXSA-N 1 2 371.441 3.009 20 10 FGCDLO CC[C@@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1O)c1nnc2n1CCCCC2 ZINC000273563003 496841668 /nfs/dbraw/zinc/84/16/68/496841668.db2.gz IRIQJXRBJZKQKP-IUODEOHRSA-N 1 2 359.430 3.420 20 10 FGCDLO COc1c(O)c(C[N@H+](C)Cc2nc3c(s2)CCCC3)ccc1[N+](=O)[O-] ZINC000278234253 497046219 /nfs/dbraw/zinc/04/62/19/497046219.db2.gz NDXYBVKGSLEXLT-UHFFFAOYSA-N 1 2 363.439 3.276 20 10 FGCDLO COc1c(O)c(C[N@@H+](C)Cc2nc3c(s2)CCCC3)ccc1[N+](=O)[O-] ZINC000278234253 497046223 /nfs/dbraw/zinc/04/62/23/497046223.db2.gz NDXYBVKGSLEXLT-UHFFFAOYSA-N 1 2 363.439 3.276 20 10 FGCDLO CCOC(=O)c1csc(CC[NH2+][C@H](C)c2ccc(F)c(F)c2O)n1 ZINC000276480709 497584590 /nfs/dbraw/zinc/58/45/90/497584590.db2.gz GAZDGFGHUCGYHG-SECBINFHSA-N 1 2 356.394 3.197 20 10 FGCDLO C[C@H]([NH2+]Cc1ccnc(OC2CCOCC2)c1)c1ccc(F)c(F)c1O ZINC000276885744 497678317 /nfs/dbraw/zinc/67/83/17/497678317.db2.gz GVNSYWDXMKCDAD-LBPRGKRZSA-N 1 2 364.392 3.474 20 10 FGCDLO Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1C(=O)c1ccc(C)c(O)c1O ZINC000272727726 497714942 /nfs/dbraw/zinc/71/49/42/497714942.db2.gz JFSZFGIRFNGMAG-HNNXBMFYSA-N 1 2 365.433 3.369 20 10 FGCDLO CC(C)c1nc(CN2CCC[N@H+](Cc3cccc(Cl)c3O)CC2)no1 ZINC000364288964 497882241 /nfs/dbraw/zinc/88/22/41/497882241.db2.gz HIZINLHSTVSALO-UHFFFAOYSA-N 1 2 364.877 3.260 20 10 FGCDLO CC(C)c1nc(CN2CCC[N@@H+](Cc3cccc(Cl)c3O)CC2)no1 ZINC000364288964 497882248 /nfs/dbraw/zinc/88/22/48/497882248.db2.gz HIZINLHSTVSALO-UHFFFAOYSA-N 1 2 364.877 3.260 20 10 FGCDLO CS(=O)(=O)C1(C[NH2+]Cc2cc(Cl)cc(Cl)c2O)CCCC1 ZINC000285604945 498144080 /nfs/dbraw/zinc/14/40/80/498144080.db2.gz WYUDQALCRDINJO-UHFFFAOYSA-N 1 2 352.283 3.146 20 10 FGCDLO Cc1noc([C@@H]([NH2+]Cc2c(O)ccc(Cl)c2F)C2CCOCC2)n1 ZINC000365137887 498317787 /nfs/dbraw/zinc/31/77/87/498317787.db2.gz NZTQNFGLVDTZPC-HNNXBMFYSA-N 1 2 355.797 3.134 20 10 FGCDLO Cc1cc(Br)cc(C[N@@H+]2CCOC[C@@H]2[C@H]2CCCC2=O)c1O ZINC000365148473 498322952 /nfs/dbraw/zinc/32/29/52/498322952.db2.gz DPRQSKDOOWWCEE-HUUCEWRRSA-N 1 2 368.271 3.033 20 10 FGCDLO Cc1cc(Br)cc(C[N@H+]2CCOC[C@@H]2[C@H]2CCCC2=O)c1O ZINC000365148473 498322957 /nfs/dbraw/zinc/32/29/57/498322957.db2.gz DPRQSKDOOWWCEE-HUUCEWRRSA-N 1 2 368.271 3.033 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)C[C@@H](O)c3ccccc3)CC2)cc1 ZINC000361084472 498342930 /nfs/dbraw/zinc/34/29/30/498342930.db2.gz BVNJCEPZXBAKDV-OAQYLSRUSA-N 1 2 368.477 3.246 20 10 FGCDLO Cc1noc([C@@H]2CCC[N@H+]2Cc2cc(Br)cc(C)c2O)n1 ZINC000289915090 498351699 /nfs/dbraw/zinc/35/16/99/498351699.db2.gz VHSUQNXYEMKJMD-ZDUSSCGKSA-N 1 2 352.232 3.492 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCCN(C(=O)C(C)(C)C)CC2)c1O ZINC000361358644 498378399 /nfs/dbraw/zinc/37/83/99/498378399.db2.gz MSYCLENXNQBGJC-UHFFFAOYSA-N 1 2 366.889 3.329 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCCN(C(=O)C(C)(C)C)CC2)c1O ZINC000361358644 498378401 /nfs/dbraw/zinc/37/84/01/498378401.db2.gz MSYCLENXNQBGJC-UHFFFAOYSA-N 1 2 366.889 3.329 20 10 FGCDLO CC[N@@H+](Cc1cc(COC)on1)Cc1cc(Br)ccc1O ZINC000297566351 498496200 /nfs/dbraw/zinc/49/62/00/498496200.db2.gz COWPFGQGOQCGOA-UHFFFAOYSA-N 1 2 355.232 3.311 20 10 FGCDLO CCn1cnnc1[C@H]1C[N@@H+]([C@H](C)c2cc(Cl)c(Cl)cc2O)CCO1 ZINC000365525719 498512548 /nfs/dbraw/zinc/51/25/48/498512548.db2.gz DHTKULJIYSMUKM-MEBBXXQBSA-N 1 2 371.268 3.445 20 10 FGCDLO CCn1cnnc1[C@H]1C[N@H+]([C@H](C)c2cc(Cl)c(Cl)cc2O)CCO1 ZINC000365525719 498512555 /nfs/dbraw/zinc/51/25/55/498512555.db2.gz DHTKULJIYSMUKM-MEBBXXQBSA-N 1 2 371.268 3.445 20 10 FGCDLO Cc1[nH+]c2ccc(C(=O)N3CC=C(c4ccc(N(C)C)cc4)C3)cc2n1C ZINC000365562047 498533228 /nfs/dbraw/zinc/53/32/28/498533228.db2.gz FZPIINVNLCMIGB-UHFFFAOYSA-N 1 2 360.461 3.487 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)/C=C/c3cncc(F)c3)CC2)cc1 ZINC000362831035 498561391 /nfs/dbraw/zinc/56/13/91/498561391.db2.gz UWWNZQJZAOYKSN-FPYGCLRLSA-N 1 2 369.440 3.370 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)c3cccc(OC)c3)CC2)cc1 ZINC000363326490 498763636 /nfs/dbraw/zinc/76/36/36/498763636.db2.gz YAGSBUDQHQLKTM-UHFFFAOYSA-N 1 2 354.450 3.445 20 10 FGCDLO Cc1cc[nH+]c(C)c1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000287535936 498789415 /nfs/dbraw/zinc/78/94/15/498789415.db2.gz NVZPIZGGQHRZKQ-UHFFFAOYSA-N 1 2 354.454 3.199 20 10 FGCDLO Oc1cc(F)c(Cl)cc1C[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC000294747816 498791221 /nfs/dbraw/zinc/79/12/21/498791221.db2.gz RGKVVQYWDBIOPQ-UHFFFAOYSA-N 1 2 350.821 3.500 20 10 FGCDLO OCCn1ncc2c1CCC[C@@H]2[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000319967518 498804479 /nfs/dbraw/zinc/80/44/79/498804479.db2.gz VZXZTJVFEDQROT-AWEZNQCLSA-N 1 2 356.253 3.055 20 10 FGCDLO CCc1onc(C)c1C(=O)N(C)C1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000363450960 498829168 /nfs/dbraw/zinc/82/91/68/498829168.db2.gz VDUPYJAGXBODCC-UHFFFAOYSA-N 1 2 357.454 3.295 20 10 FGCDLO C[C@@H]([NH2+]Cc1nnc2n1C[C@@H](C(F)(F)F)CC2)c1ccc(F)cc1O ZINC000369902055 499148940 /nfs/dbraw/zinc/14/89/40/499148940.db2.gz KCEQSPOANMNRIJ-ZJUUUORDSA-N 1 2 358.339 3.098 20 10 FGCDLO CC[C@@H](c1cccc(Cl)c1O)[N@@H+]1CCO[C@H](c2nncn2CC)C1 ZINC000367897380 499242868 /nfs/dbraw/zinc/24/28/68/499242868.db2.gz SQULMGVCXLUYKE-GJZGRUSLSA-N 1 2 350.850 3.182 20 10 FGCDLO CC[C@@H](c1cccc(Cl)c1O)[N@H+]1CCO[C@H](c2nncn2CC)C1 ZINC000367897380 499242869 /nfs/dbraw/zinc/24/28/69/499242869.db2.gz SQULMGVCXLUYKE-GJZGRUSLSA-N 1 2 350.850 3.182 20 10 FGCDLO O=C(c1cc(Cl)c[nH]1)N1CCC([NH2+]Cc2cccc(Cl)c2O)CC1 ZINC000368039432 499258617 /nfs/dbraw/zinc/25/86/17/499258617.db2.gz GABBWXYBPYDQGY-UHFFFAOYSA-N 1 2 368.264 3.422 20 10 FGCDLO Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@H](C)c1cc(Br)cc(F)c1[O-])C2 ZINC000368314726 499284532 /nfs/dbraw/zinc/28/45/32/499284532.db2.gz FHTPCORHIPXQBW-PWSUYJOCSA-N 1 2 368.250 3.464 20 10 FGCDLO O=C([O-])c1cc2ccccc2c(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1O ZINC000740099438 600426618 /nfs/dbraw/zinc/42/66/18/600426618.db2.gz YYKACKFZAUYFJK-UHFFFAOYSA-N 1 2 351.406 3.277 20 10 FGCDLO Cc1cc(Br)cc(C)c1NC(=O)NCCCn1cc[nH+]c1 ZINC000048466605 695878822 /nfs/dbraw/zinc/87/88/22/695878822.db2.gz JBIKRWNVLBJWNV-UHFFFAOYSA-N 1 2 351.248 3.474 20 10 FGCDLO CCc1nc(CN2CCC[C@@H]([N@H+](C)Cc3cccc(Cl)c3O)C2)no1 ZINC000374995496 713959652 /nfs/dbraw/zinc/95/96/52/713959652.db2.gz DADJNKBFDZYHTG-CQSZACIVSA-N 1 2 364.877 3.087 20 10 FGCDLO CCc1nc(CN2CCC[C@@H]([N@@H+](C)Cc3cccc(Cl)c3O)C2)no1 ZINC000374995496 713959654 /nfs/dbraw/zinc/95/96/54/713959654.db2.gz DADJNKBFDZYHTG-CQSZACIVSA-N 1 2 364.877 3.087 20 10 FGCDLO C[C@H](CC[S@@](C)=O)[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000756741110 722969352 /nfs/dbraw/zinc/96/93/52/722969352.db2.gz CQMRBMHIBFHPHG-IXGDSRDXSA-N 1 2 352.269 3.102 20 10 FGCDLO CC[C@H]1C[N@H+](Cc2cc(C)cc(Br)c2O)C[C@]2(CCOC2)O1 ZINC000793360877 723429648 /nfs/dbraw/zinc/42/96/48/723429648.db2.gz GXPJQUPISKFYHI-YOEHRIQHSA-N 1 2 370.287 3.233 20 10 FGCDLO CC[C@H]1C[N@@H+](Cc2cc(C)cc(Br)c2O)C[C@]2(CCOC2)O1 ZINC000793360877 723429651 /nfs/dbraw/zinc/42/96/51/723429651.db2.gz GXPJQUPISKFYHI-YOEHRIQHSA-N 1 2 370.287 3.233 20 10 FGCDLO Cc1nnc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2Cl)s1 ZINC000780745106 724497124 /nfs/dbraw/zinc/49/71/24/724497124.db2.gz NYYOJVUMGLOXNF-NSHDSACASA-N 1 2 352.891 3.187 20 10 FGCDLO COc1ccc(N2CC[NH+](Cn3ccc(-c4cccs4)n3)CC2)cc1 ZINC000731659005 722476948 /nfs/dbraw/zinc/47/69/48/722476948.db2.gz WZKBIVQNYDJMEZ-UHFFFAOYSA-N 1 2 354.479 3.400 20 10 FGCDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NCc3ccccc3O)n2)C1 ZINC000748324741 722684551 /nfs/dbraw/zinc/68/45/51/722684551.db2.gz HIPSZEKEUCNCFK-CYBMUJFWSA-N 1 2 360.483 3.402 20 10 FGCDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NCc3ccccc3O)n2)C1 ZINC000748324741 722684552 /nfs/dbraw/zinc/68/45/52/722684552.db2.gz HIPSZEKEUCNCFK-CYBMUJFWSA-N 1 2 360.483 3.402 20 10 FGCDLO CCNC(=O)C1(C[NH2+][C@H](C)c2cc(Br)cc(F)c2O)CCC1 ZINC000754104843 722927779 /nfs/dbraw/zinc/92/77/79/722927779.db2.gz NCVZUTTZWCAZPG-SNVBAGLBSA-N 1 2 373.266 3.251 20 10 FGCDLO CNC(=O)C1CCC([NH2+][C@@H](C)c2cc(Br)cc(F)c2O)CC1 ZINC000756489628 722965466 /nfs/dbraw/zinc/96/54/66/722965466.db2.gz QIDRQALJTPZLOI-BMQDGWLCSA-N 1 2 373.266 3.249 20 10 FGCDLO C[C@@H]([NH2+]CCNC(=O)c1c(F)cccc1F)c1cc(F)cc(F)c1O ZINC000756706166 722968875 /nfs/dbraw/zinc/96/88/75/722968875.db2.gz HHIHHHLNYORLGE-SECBINFHSA-N 1 2 356.319 3.029 20 10 FGCDLO C[C@H]([NH2+][C@@H]1CCO[C@@]2(CCOC2)C1)c1cc(Br)c(F)cc1O ZINC000756782921 722970023 /nfs/dbraw/zinc/97/00/23/722970023.db2.gz VWZVOMXFMRPVSK-USBNGQNGSA-N 1 2 374.250 3.283 20 10 FGCDLO COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(Br)c2O)[C@H]1C ZINC000793187031 723408953 /nfs/dbraw/zinc/40/89/53/723408953.db2.gz UTRSQTCNDTUFAM-COPLHBTASA-N 1 2 356.260 3.222 20 10 FGCDLO O=C1CCCCN1[C@H]1CCC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000769340648 723682862 /nfs/dbraw/zinc/68/28/62/723682862.db2.gz CNGRUFVNOGFARM-AWEZNQCLSA-N 1 2 367.287 3.132 20 10 FGCDLO O=C1CCCCN1[C@H]1CCC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000769340648 723682863 /nfs/dbraw/zinc/68/28/63/723682863.db2.gz CNGRUFVNOGFARM-AWEZNQCLSA-N 1 2 367.287 3.132 20 10 FGCDLO CCN(CC)c1ccc(C[N@H+](CC)[C@H](C)CS(=O)(=O)CC)cc1F ZINC000769424460 723685254 /nfs/dbraw/zinc/68/52/54/723685254.db2.gz CFMWJAMWHIBTSI-OAHLLOKOSA-N 1 2 358.523 3.317 20 10 FGCDLO CCN(CC)c1ccc(C[N@@H+](CC)[C@H](C)CS(=O)(=O)CC)cc1F ZINC000769424460 723685255 /nfs/dbraw/zinc/68/52/55/723685255.db2.gz CFMWJAMWHIBTSI-OAHLLOKOSA-N 1 2 358.523 3.317 20 10 FGCDLO Cc1cc(Br)cc(C[N@@H+]2CCO[C@@H](COC(C)C)C2)c1O ZINC000770687158 723719042 /nfs/dbraw/zinc/71/90/42/723719042.db2.gz CUYXDEMYENGBPQ-OAHLLOKOSA-N 1 2 358.276 3.089 20 10 FGCDLO Cc1cc(Br)cc(C[N@H+]2CCO[C@@H](COC(C)C)C2)c1O ZINC000770687158 723719044 /nfs/dbraw/zinc/71/90/44/723719044.db2.gz CUYXDEMYENGBPQ-OAHLLOKOSA-N 1 2 358.276 3.089 20 10 FGCDLO COc1ccc(N2CCC[N@H+](Cc3cc(C(F)(F)F)n[nH]3)CC2)cc1 ZINC000799731443 724088286 /nfs/dbraw/zinc/08/82/86/724088286.db2.gz QSVGRFDWPCCYJH-UHFFFAOYSA-N 1 2 354.376 3.149 20 10 FGCDLO COc1ccc(N2CCC[N@@H+](Cc3cc(C(F)(F)F)n[nH]3)CC2)cc1 ZINC000799731443 724088289 /nfs/dbraw/zinc/08/82/89/724088289.db2.gz QSVGRFDWPCCYJH-UHFFFAOYSA-N 1 2 354.376 3.149 20 10 FGCDLO COC(=O)COc1ccc(C[N@H+](C)Cc2cc(Cl)cc(F)c2O)cc1 ZINC000775984667 724093379 /nfs/dbraw/zinc/09/33/79/724093379.db2.gz SZACTUYYFSPPIU-UHFFFAOYSA-N 1 2 367.804 3.369 20 10 FGCDLO COC(=O)COc1ccc(C[N@@H+](C)Cc2cc(Cl)cc(F)c2O)cc1 ZINC000775984667 724093382 /nfs/dbraw/zinc/09/33/82/724093382.db2.gz SZACTUYYFSPPIU-UHFFFAOYSA-N 1 2 367.804 3.369 20 10 FGCDLO Cc1cc(CC(=O)NCc2c[nH+]cn2C)c(C)n1-c1ccc(Cl)cc1 ZINC000811589273 725374322 /nfs/dbraw/zinc/37/43/22/725374322.db2.gz PEBRSGRKOZRBPK-UHFFFAOYSA-N 1 2 356.857 3.340 20 10 FGCDLO C[C@@H]([NH2+]C[C@H]1CC[C@H](C(N)=O)CC1)c1cc(Br)c(F)cc1O ZINC000817585835 727268371 /nfs/dbraw/zinc/26/83/71/727268371.db2.gz IWVOCJWQVNQXLW-GMTAPVOTSA-N 1 2 373.266 3.236 20 10 FGCDLO C[N@@H+]1CC[C@H](NC(=O)c2c(F)ccc(O)c2O)[C@@H]1c1ccc(Cl)cc1 ZINC000827492106 729430978 /nfs/dbraw/zinc/43/09/78/729430978.db2.gz UWEUTTAUCPYXEX-BBRMVZONSA-N 1 2 364.804 3.066 20 10 FGCDLO C[N@H+]1CC[C@H](NC(=O)c2c(F)ccc(O)c2O)[C@@H]1c1ccc(Cl)cc1 ZINC000827492106 729430979 /nfs/dbraw/zinc/43/09/79/729430979.db2.gz UWEUTTAUCPYXEX-BBRMVZONSA-N 1 2 364.804 3.066 20 10 FGCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCN(CC(F)(F)F)C[C@H](C)C2)c1O ZINC000832285750 729702539 /nfs/dbraw/zinc/70/25/39/729702539.db2.gz WVNAPUSIFARGNC-LLVKDONJSA-N 1 2 362.367 3.050 20 10 FGCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCN(CC(F)(F)F)C[C@H](C)C2)c1O ZINC000832285750 729702540 /nfs/dbraw/zinc/70/25/40/729702540.db2.gz WVNAPUSIFARGNC-LLVKDONJSA-N 1 2 362.367 3.050 20 10 FGCDLO C[C@H]([NH2+][C@@H]1C[C@@H]2CCCCN2C1=O)c1cc(Br)cc(F)c1O ZINC000834916363 729846202 /nfs/dbraw/zinc/84/62/02/729846202.db2.gz WOTJIKNSZRCPOS-NURSFMCSSA-N 1 2 371.250 3.098 20 10 FGCDLO CN(C)c1ccc(/C=C\C[NH+]2CCN(C(=O)c3ccsc3)CC2)cc1 ZINC000835027751 729851039 /nfs/dbraw/zinc/85/10/39/729851039.db2.gz NYTCRVNUSMSXMF-ARJAWSKDSA-N 1 2 355.507 3.285 20 10 FGCDLO COC(=O)[C@H]([NH2+]Cc1cc(Cl)cc(C)c1O)[C@H]1CCC[C@@H](OC)C1 ZINC000846109361 730929781 /nfs/dbraw/zinc/92/97/81/730929781.db2.gz UDYKUFWXSOBJBJ-APHBMKBZSA-N 1 2 355.862 3.190 20 10 FGCDLO COc1cc(Br)cc(C[N@@H+]2CCc3c(O)cccc3C2)c1O ZINC000862529904 732844483 /nfs/dbraw/zinc/84/44/83/732844483.db2.gz RQOFNPTYWXZZBF-UHFFFAOYSA-N 1 2 364.239 3.427 20 10 FGCDLO COc1cc(Br)cc(C[N@H+]2CCc3c(O)cccc3C2)c1O ZINC000862529904 732844486 /nfs/dbraw/zinc/84/44/86/732844486.db2.gz RQOFNPTYWXZZBF-UHFFFAOYSA-N 1 2 364.239 3.427 20 10 FGCDLO C[C@@H](C[NH2+]Cc1cc(Cl)cc(F)c1O)c1ccc(S(C)(=O)=O)cc1 ZINC000877729373 736710351 /nfs/dbraw/zinc/71/03/51/736710351.db2.gz RAUGCMUQDYKLTQ-NSHDSACASA-N 1 2 371.861 3.482 20 10 FGCDLO Oc1ccccc1C[N@@H+](Cc1nc(Br)c[nH]1)C[C@H]1CCCO1 ZINC000891468351 739904945 /nfs/dbraw/zinc/90/49/45/739904945.db2.gz VIKUBMCBWHPSAB-CYBMUJFWSA-N 1 2 366.259 3.059 20 10 FGCDLO Oc1ccccc1C[N@H+](Cc1nc(Br)c[nH]1)C[C@H]1CCCO1 ZINC000891468351 739904947 /nfs/dbraw/zinc/90/49/47/739904947.db2.gz VIKUBMCBWHPSAB-CYBMUJFWSA-N 1 2 366.259 3.059 20 10 FGCDLO Oc1c(F)cc(Br)cc1C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000894083489 742236356 /nfs/dbraw/zinc/23/63/56/742236356.db2.gz DZDDWDCQGAJJCW-OLZOCXBDSA-N 1 2 362.264 3.000 20 10 FGCDLO Oc1c(F)cc(Br)cc1C[N@H+]1CCS[C@H]2COCC[C@H]21 ZINC000894083489 742236358 /nfs/dbraw/zinc/23/63/58/742236358.db2.gz DZDDWDCQGAJJCW-OLZOCXBDSA-N 1 2 362.264 3.000 20 10 FGCDLO COC(=O)c1cnc(C2CC[NH+](Cc3cc(F)cc(F)c3O)CC2)s1 ZINC000895392879 742406411 /nfs/dbraw/zinc/40/64/11/742406411.db2.gz UKSYUGWFAOLFEF-UHFFFAOYSA-N 1 2 368.405 3.293 20 10 FGCDLO CC[C@H]([NH2+]CC1(O)CCC2(CC1)OCCO2)c1cccc(Cl)c1O ZINC000903373477 743842194 /nfs/dbraw/zinc/84/21/94/743842194.db2.gz WJUJCODMOSOHRD-HNNXBMFYSA-N 1 2 355.862 3.135 20 10 FGCDLO C[C@H]([NH2+]CCO[C@H]1CCOC1)c1cc(Br)cc(Cl)c1O ZINC000927081902 759887526 /nfs/dbraw/zinc/88/75/26/759887526.db2.gz YBHLPQMIPZIXBQ-ONGXEEELSA-N 1 2 364.667 3.264 20 10 FGCDLO COCCCCCNC(=O)N(C)C1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000066191430 494286779 /nfs/dbraw/zinc/28/67/79/494286779.db2.gz GHVKYYKIVMSAGR-UHFFFAOYSA-N 1 2 363.502 3.122 20 10 FGCDLO Oc1c(Cl)cc(Cl)cc1C[NH2+]C1CCN(c2ncccn2)CC1 ZINC000078969419 494386377 /nfs/dbraw/zinc/38/63/77/494386377.db2.gz MJODSHIZFMPYTI-UHFFFAOYSA-N 1 2 353.253 3.248 20 10 FGCDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000047028572 494621869 /nfs/dbraw/zinc/62/18/69/494621869.db2.gz UKFDPDLSFNDJOY-QGZVFWFLSA-N 1 2 355.486 3.104 20 10 FGCDLO Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3ccc(F)c(F)c3O)C2)n(C)n1 ZINC000278162863 497024922 /nfs/dbraw/zinc/02/49/22/497024922.db2.gz AMUMBVRJBYPRKL-QWHCGFSZSA-N 1 2 350.413 3.032 20 10 FGCDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCc2ccccc2O)C[C@@H](C)O1 ZINC000299527184 497836120 /nfs/dbraw/zinc/83/61/20/497836120.db2.gz RNRVDUSHVQXBFO-HZPDHXFCSA-N 1 2 369.465 3.323 20 10 FGCDLO Fc1cc(C[NH2+][C@H](c2nnc[nH]2)C2CCCCC2)ccc1N1CCOCC1 ZINC000292079476 497869621 /nfs/dbraw/zinc/86/96/21/497869621.db2.gz HZSQTGPZDGZQBL-IBGZPJMESA-N 1 2 373.476 3.192 20 10 FGCDLO CC[C@@H]([NH2+]Cc1nnc2n1CCOC2)c1ccc(Cl)c(Cl)c1O ZINC000365152276 498325840 /nfs/dbraw/zinc/32/58/40/498325840.db2.gz BINCKQMKECUSGX-LLVKDONJSA-N 1 2 357.241 3.062 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c1O ZINC000286711034 498483388 /nfs/dbraw/zinc/48/33/88/498483388.db2.gz WTAOSJYHLHFTBU-BXUZGUMPSA-N 1 2 365.779 3.241 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c1O ZINC000286711034 498483396 /nfs/dbraw/zinc/48/33/96/498483396.db2.gz WTAOSJYHLHFTBU-BXUZGUMPSA-N 1 2 365.779 3.241 20 10 FGCDLO C[C@@H](Nc1cc(N2CCCC[C@H]2CO)nc[nH+]1)c1ccc(N(C)C)cc1 ZINC000302831378 498594688 /nfs/dbraw/zinc/59/46/88/498594688.db2.gz LCNUAKCMAVGPHD-QAPCUYQASA-N 1 2 355.486 3.067 20 10 FGCDLO C[C@@H](Nc1cc(N2CCCC[C@H]2CO)[nH+]cn1)c1ccc(N(C)C)cc1 ZINC000302831378 498594696 /nfs/dbraw/zinc/59/46/96/498594696.db2.gz LCNUAKCMAVGPHD-QAPCUYQASA-N 1 2 355.486 3.067 20 10 FGCDLO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000363077353 498639144 /nfs/dbraw/zinc/63/91/44/498639144.db2.gz OEKQIVNAEABVRA-SFHVURJKSA-N 1 2 352.482 3.094 20 10 FGCDLO COC1CCN(c2ccc(C[N@@H+]3CCOC[C@H]3CC(F)F)cc2)CC1 ZINC000295162480 498929319 /nfs/dbraw/zinc/92/93/19/498929319.db2.gz HBTVZNUNPIJDLT-QGZVFWFLSA-N 1 2 354.441 3.158 20 10 FGCDLO COC1CCN(c2ccc(C[N@H+]3CCOC[C@H]3CC(F)F)cc2)CC1 ZINC000295162480 498929323 /nfs/dbraw/zinc/92/93/23/498929323.db2.gz HBTVZNUNPIJDLT-QGZVFWFLSA-N 1 2 354.441 3.158 20 10 FGCDLO CCCC(=O)N1CCC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)CC1 ZINC000370207138 499197360 /nfs/dbraw/zinc/19/73/60/499197360.db2.gz SDGAVURMRBNFEJ-UHFFFAOYSA-N 1 2 352.862 3.083 20 10 FGCDLO CCCC(=O)N1CCC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)CC1 ZINC000370207138 499197361 /nfs/dbraw/zinc/19/73/61/499197361.db2.gz SDGAVURMRBNFEJ-UHFFFAOYSA-N 1 2 352.862 3.083 20 10 FGCDLO Cc1noc([C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)c2ccccc2)n1 ZINC000369115359 499367249 /nfs/dbraw/zinc/36/72/49/499367249.db2.gz FJLNKJICQSXXCZ-HXUWFJFHSA-N 1 2 364.449 3.094 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)c3ccn(C(C)C)n3)CC2)cc1 ZINC000369263199 499384999 /nfs/dbraw/zinc/38/49/99/499384999.db2.gz RZGSVJAJXGDVSV-UHFFFAOYSA-N 1 2 356.470 3.214 20 10 FGCDLO COc1ccc([NH+]2CCC(Nc3ccc4c(c3)N(C(N)=O)CC4)CC2)cc1 ZINC000369482732 499407219 /nfs/dbraw/zinc/40/72/19/499407219.db2.gz QKAHZYFRCHQGJZ-UHFFFAOYSA-N 1 2 366.465 3.217 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)c3ccnc(F)c3F)CC2)cc1 ZINC000373413041 499468177 /nfs/dbraw/zinc/46/81/77/499468177.db2.gz PIEKPDJGKBKQSZ-UHFFFAOYSA-N 1 2 361.392 3.109 20 10 FGCDLO CC(C)(C)OC(=O)NCCC[NH2+]Cc1cccc(Br)c1O ZINC000105433460 700500897 /nfs/dbraw/zinc/50/08/97/700500897.db2.gz JVBRSALFNZPOKZ-UHFFFAOYSA-N 1 2 359.264 3.159 20 10 FGCDLO O=C1/C(=C\c2ccc(-n3cc[nH+]c3)cc2)SC(=S)N1Cc1ccon1 ZINC000178018251 705650195 /nfs/dbraw/zinc/65/01/95/705650195.db2.gz ROIWAYKGUHEKKO-OQLLNIDSSA-N 1 2 368.443 3.262 20 10 FGCDLO Cc1cc(Br)c(O)c(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000781909813 724611364 /nfs/dbraw/zinc/61/13/64/724611364.db2.gz QUSXGYDDSZZBLL-XJKSGUPXSA-N 1 2 353.304 3.379 20 10 FGCDLO Cc1cc(Br)c(O)c(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000781909813 724611367 /nfs/dbraw/zinc/61/13/67/724611367.db2.gz QUSXGYDDSZZBLL-XJKSGUPXSA-N 1 2 353.304 3.379 20 10 FGCDLO Cc1cc(Br)c([O-])c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000781909813 724611369 /nfs/dbraw/zinc/61/13/69/724611369.db2.gz QUSXGYDDSZZBLL-XJKSGUPXSA-N 1 2 353.304 3.379 20 10 FGCDLO Cc1cc(Br)c([O-])c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000781909813 724611372 /nfs/dbraw/zinc/61/13/72/724611372.db2.gz QUSXGYDDSZZBLL-XJKSGUPXSA-N 1 2 353.304 3.379 20 10 FGCDLO Cc1cc(Br)c([O-])c(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000781909813 724611375 /nfs/dbraw/zinc/61/13/75/724611375.db2.gz QUSXGYDDSZZBLL-XJKSGUPXSA-N 1 2 353.304 3.379 20 10 FGCDLO Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000781909813 724611378 /nfs/dbraw/zinc/61/13/78/724611378.db2.gz QUSXGYDDSZZBLL-XJKSGUPXSA-N 1 2 353.304 3.379 20 10 FGCDLO C[C@H](CN(C)C(=O)OC(C)(C)C)[NH2+]Cc1cccc(Br)c1O ZINC000706458817 722412005 /nfs/dbraw/zinc/41/20/05/722412005.db2.gz BYDNBTMLSKGPTH-LLVKDONJSA-N 1 2 373.291 3.500 20 10 FGCDLO C[C@H]([NH2+][C@H](C(N)=O)c1ccccc1)c1cc(Br)cc(F)c1O ZINC000756379766 722963615 /nfs/dbraw/zinc/96/36/15/722963615.db2.gz BMRJFMFNVASODH-XPTSAGLGSA-N 1 2 367.218 3.171 20 10 FGCDLO C[C@@H]([NH2+]CCC(=O)N1CCCCC1)c1cc(Br)c(F)cc1O ZINC000756430166 722964468 /nfs/dbraw/zinc/96/44/68/722964468.db2.gz IQJYWIPSESCRMU-LLVKDONJSA-N 1 2 373.266 3.347 20 10 FGCDLO COCCOCC[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1O ZINC000756462664 722965096 /nfs/dbraw/zinc/96/50/96/722965096.db2.gz YHXDGZHIEUJTGS-VIFPVBQESA-N 1 2 352.656 3.122 20 10 FGCDLO CSC[C@H](CCO)[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000756604180 722967594 /nfs/dbraw/zinc/96/75/94/722967594.db2.gz MELISSIBZHFWNS-IUCAKERBSA-N 1 2 352.269 3.058 20 10 FGCDLO C[C@@H]([NH2+]CCC(=O)NC(C)(C)C)c1cc(Br)c(F)cc1O ZINC000756681423 722968624 /nfs/dbraw/zinc/96/86/24/722968624.db2.gz BAGQHDJCSTYSEQ-SECBINFHSA-N 1 2 361.255 3.249 20 10 FGCDLO C[C@H](CC[S@@](C)=O)[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000756743939 722969448 /nfs/dbraw/zinc/96/94/48/722969448.db2.gz XVXPMVNACLXEPX-BLBZPCKPSA-N 1 2 352.269 3.102 20 10 FGCDLO C[C@@H]([NH2+]Cc1ccnc(N(C)C)n1)c1cc(Br)cc(F)c1O ZINC000756790783 722970126 /nfs/dbraw/zinc/97/01/26/722970126.db2.gz PHLXBIGVLIRCLW-SECBINFHSA-N 1 2 369.238 3.001 20 10 FGCDLO CCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000760883182 723101176 /nfs/dbraw/zinc/10/11/76/723101176.db2.gz AOTZIGPMTGAULZ-BIGNPOOSSA-N 1 2 362.239 3.138 20 10 FGCDLO CCOC(=O)C[N@H+](Cc1cc(Br)cc(OC)c1O)C1CCC1 ZINC000768530344 723660471 /nfs/dbraw/zinc/66/04/71/723660471.db2.gz IDDRSRDHPOTEKS-UHFFFAOYSA-N 1 2 372.259 3.081 20 10 FGCDLO CCOC(=O)C[N@@H+](Cc1cc(Br)cc(OC)c1O)C1CCC1 ZINC000768530344 723660475 /nfs/dbraw/zinc/66/04/75/723660475.db2.gz IDDRSRDHPOTEKS-UHFFFAOYSA-N 1 2 372.259 3.081 20 10 FGCDLO COc1c(O)c(C[N@H+](C)Cc2cc(F)c(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000775051876 723956410 /nfs/dbraw/zinc/95/64/10/723956410.db2.gz QILIUAQAHORGJP-UHFFFAOYSA-N 1 2 356.300 3.358 20 10 FGCDLO COc1c(O)c(C[N@@H+](C)Cc2cc(F)c(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000775051876 723956411 /nfs/dbraw/zinc/95/64/11/723956411.db2.gz QILIUAQAHORGJP-UHFFFAOYSA-N 1 2 356.300 3.358 20 10 FGCDLO CC[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cc(Cl)ccc1O ZINC000775498027 723996548 /nfs/dbraw/zinc/99/65/48/723996548.db2.gz FXYHAVFDWZDCPL-SFHVURJKSA-N 1 2 353.938 3.360 20 10 FGCDLO CC[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cc(Cl)ccc1O ZINC000775498027 723996549 /nfs/dbraw/zinc/99/65/49/723996549.db2.gz FXYHAVFDWZDCPL-SFHVURJKSA-N 1 2 353.938 3.360 20 10 FGCDLO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@H](C)c2cc(F)cc(F)c2O)cc1 ZINC000775566298 724001153 /nfs/dbraw/zinc/00/11/53/724001153.db2.gz VIYBGPQGZWTXOP-QWHCGFSZSA-N 1 2 369.433 3.492 20 10 FGCDLO CO[C@H](C)CC[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000776154102 724114119 /nfs/dbraw/zinc/11/41/19/724114119.db2.gz OZEWDCKOLDLPFJ-MRVPVSSYSA-N 1 2 367.081 3.432 20 10 FGCDLO COCC[C@H](Cc1ccco1)[NH2+]Cc1cccc(Br)c1O ZINC000784624500 724868819 /nfs/dbraw/zinc/86/88/19/724868819.db2.gz DDRXQQDKHJFZMG-CYBMUJFWSA-N 1 2 354.244 3.485 20 10 FGCDLO CCc1nnc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2Cl)s1 ZINC000810259080 725300438 /nfs/dbraw/zinc/30/04/38/725300438.db2.gz ASHHAMQWGKGSCG-LBPRGKRZSA-N 1 2 366.918 3.441 20 10 FGCDLO Cc1cc(CNC(=O)NCc2cc(Br)ccc2O)cc(C)[nH+]1 ZINC000817170436 727226764 /nfs/dbraw/zinc/22/67/64/727226764.db2.gz FGJAWJVHKHXEIR-UHFFFAOYSA-N 1 2 364.243 3.166 20 10 FGCDLO CCCN1C[C@@H](C[NH2+][C@@H](C)c2cc(Br)c(F)cc2O)CC1=O ZINC000817590019 727268832 /nfs/dbraw/zinc/26/88/32/727268832.db2.gz SFNWMSKQWYGUSX-WDEREUQCSA-N 1 2 373.266 3.203 20 10 FGCDLO CCOC(=O)[C@]1(C)CCC[C@@H]1[NH2+]Cc1cccc(Br)c1O ZINC000827750263 729434168 /nfs/dbraw/zinc/43/41/68/729434168.db2.gz CCFRXNFGQRCSKZ-XJKSGUPXSA-N 1 2 356.260 3.366 20 10 FGCDLO CC[C@H]([NH2+]Cc1nn(C)cc1Br)c1ccc(N(C)C)cc1 ZINC000834882447 729842100 /nfs/dbraw/zinc/84/21/00/729842100.db2.gz ADZAGIJTUPECGZ-HNNXBMFYSA-N 1 2 351.292 3.490 20 10 FGCDLO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2nn(C)cc2Br)cc1 ZINC000834883400 729842262 /nfs/dbraw/zinc/84/22/62/729842262.db2.gz KTZXAWXECNDZPG-GFCCVEGCSA-N 1 2 351.292 3.490 20 10 FGCDLO C[C@H](Cc1cnn(C)c1)[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000834896686 729844633 /nfs/dbraw/zinc/84/46/33/729844633.db2.gz MPNPBXFAENDYSZ-ZJUUUORDSA-N 1 2 356.239 3.309 20 10 FGCDLO Cc1nc([C@@H](C)[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)cs1 ZINC000840757472 730170209 /nfs/dbraw/zinc/17/02/09/730170209.db2.gz KXVUJLWQDBMGQQ-LLVKDONJSA-N 1 2 353.438 3.417 20 10 FGCDLO C[C@@H]([NH2+]Cc1nnc(C2CC2)s1)c1ccc(N2CCOCC2)c(F)c1 ZINC000840892151 730188734 /nfs/dbraw/zinc/18/87/34/730188734.db2.gz VXCSCSJCUOCGFB-GFCCVEGCSA-N 1 2 362.474 3.242 20 10 FGCDLO Cc1[nH+]cc2n1C[C@H](C(=O)NCc1cc(Cl)cc(Cl)c1O)CC2 ZINC000846159530 730932680 /nfs/dbraw/zinc/93/26/80/730932680.db2.gz HFWQSKFPANEPHO-SNVBAGLBSA-N 1 2 354.237 3.083 20 10 FGCDLO CC[C@@H]([NH2+]CCN1C[C@H]2CCCCN2C1=O)c1cccc(Cl)c1O ZINC000850561128 731373586 /nfs/dbraw/zinc/37/35/86/731373586.db2.gz HZXQHVKVIXSWDS-CZUORRHYSA-N 1 2 351.878 3.376 20 10 FGCDLO COc1ccccc1C[N@H+](CCO)Cc1cc(F)c(N(C)C)cc1F ZINC000862226920 732790251 /nfs/dbraw/zinc/79/02/51/732790251.db2.gz PZEHEPSDTJVYFH-UHFFFAOYSA-N 1 2 350.409 3.034 20 10 FGCDLO COc1ccccc1C[N@@H+](CCO)Cc1cc(F)c(N(C)C)cc1F ZINC000862226920 732790253 /nfs/dbraw/zinc/79/02/53/732790253.db2.gz PZEHEPSDTJVYFH-UHFFFAOYSA-N 1 2 350.409 3.034 20 10 FGCDLO C[C@H]([NH2+][C@@H](C)[C@@H](O)C(F)(F)F)c1cc(Br)cc(F)c1O ZINC000866463909 733352948 /nfs/dbraw/zinc/35/29/48/733352948.db2.gz PYDXZEQAVXRHMJ-ZJXQECPTSA-N 1 2 360.145 3.256 20 10 FGCDLO C[C@@](CO)([NH2+]Cc1ccc(F)c(F)c1O)c1ccc(Br)cc1 ZINC000877515470 736677108 /nfs/dbraw/zinc/67/71/08/736677108.db2.gz GGGSQFWWJFFYID-INIZCTEOSA-N 1 2 372.209 3.430 20 10 FGCDLO C[NH+](C)Cc1ccnc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000880601272 737191713 /nfs/dbraw/zinc/19/17/13/737191713.db2.gz RFTVUMKVYYRDCX-UHFFFAOYSA-N 1 2 369.252 3.477 20 10 FGCDLO Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1cc(Br)cc(F)c1O ZINC000882887727 737501252 /nfs/dbraw/zinc/50/12/52/737501252.db2.gz DCHRSLOSYSCGPC-ZDUSSCGKSA-N 1 2 354.223 3.195 20 10 FGCDLO CCOC(=O)c1ccc(C[NH2+]Cc2cc(Br)cc(F)c2O)o1 ZINC000894769023 742330725 /nfs/dbraw/zinc/33/07/25/742330725.db2.gz DDOKQOSDFUIETA-UHFFFAOYSA-N 1 2 372.190 3.353 20 10 FGCDLO COc1ccc(C[N@H+]([C@H](C)C(=O)OC(C)(C)C)C2CC2)c(O)c1OC ZINC000894897750 742349479 /nfs/dbraw/zinc/34/94/79/742349479.db2.gz OFZTUQITRCLBOH-GFCCVEGCSA-N 1 2 351.443 3.104 20 10 FGCDLO COc1ccc(C[N@@H+]([C@H](C)C(=O)OC(C)(C)C)C2CC2)c(O)c1OC ZINC000894897750 742349486 /nfs/dbraw/zinc/34/94/86/742349486.db2.gz OFZTUQITRCLBOH-GFCCVEGCSA-N 1 2 351.443 3.104 20 10 FGCDLO CC1(C)O[C@@H]2C[C@@H]([NH2+]Cc3cc(Br)cc(F)c3O)C[C@@H]2O1 ZINC000922868874 759018776 /nfs/dbraw/zinc/01/87/76/759018776.db2.gz CJYCZQITHUSNAO-UOJUARBOSA-N 1 2 360.223 3.066 20 10 FGCDLO O=C(NCc1ccc(N2CCCC2)cc1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000076074284 493816888 /nfs/dbraw/zinc/81/68/88/493816888.db2.gz GGORACZEZYLKFO-QGZVFWFLSA-N 1 2 353.470 3.099 20 10 FGCDLO CC(=O)c1cc(F)cc(C[NH+]2CCN([C@@H](C)c3cccnc3)CC2)c1O ZINC000079436435 494453717 /nfs/dbraw/zinc/45/37/17/494453717.db2.gz GMGQOPBHRVQXSY-AWEZNQCLSA-N 1 2 357.429 3.008 20 10 FGCDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000047028571 494621198 /nfs/dbraw/zinc/62/11/98/494621198.db2.gz UKFDPDLSFNDJOY-KRWDZBQOSA-N 1 2 355.486 3.104 20 10 FGCDLO CO[C@@H](C)c1nc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cs1 ZINC000175051296 496226856 /nfs/dbraw/zinc/22/68/56/496226856.db2.gz OEYKNXWOCISADN-HNNXBMFYSA-N 1 2 361.511 3.319 20 10 FGCDLO CO[C@@H](C)c1nc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)cs1 ZINC000175051296 496226862 /nfs/dbraw/zinc/22/68/62/496226862.db2.gz OEYKNXWOCISADN-HNNXBMFYSA-N 1 2 361.511 3.319 20 10 FGCDLO C[C@@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273435716 496805004 /nfs/dbraw/zinc/80/50/04/496805004.db2.gz WXRQSIRIXFJNSM-CQSZACIVSA-N 1 2 356.426 3.011 20 10 FGCDLO C[C@@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1O)c1ccc2c(c1)CC(=O)N2C ZINC000273576938 496844761 /nfs/dbraw/zinc/84/47/61/496844761.db2.gz MASZJMDIKPCOJL-VXGBXAGGSA-N 1 2 355.394 3.231 20 10 FGCDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)Cc2ccc(N)cc2)C[C@@H](C)O1 ZINC000237413942 497232924 /nfs/dbraw/zinc/23/29/24/497232924.db2.gz UQLSUWDTYSIAOT-HZPDHXFCSA-N 1 2 353.466 3.059 20 10 FGCDLO CCNC(=O)COc1cccc(C[NH2+][C@H](C)c2ccc(F)c(F)c2O)c1 ZINC000276928931 497691274 /nfs/dbraw/zinc/69/12/74/497691274.db2.gz NXUIVYFLNCZRKG-GFCCVEGCSA-N 1 2 364.392 3.036 20 10 FGCDLO COCCn1ncc2c1[C@H]([NH2+][C@H](C)c1ccc(F)c(F)c1O)CCC2 ZINC000364798664 498148405 /nfs/dbraw/zinc/14/84/05/498148405.db2.gz ZPWLRELSZGQCOB-IAQYHMDHSA-N 1 2 351.397 3.242 20 10 FGCDLO CN(C)c1ccc(CNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1 ZINC000298668297 498844580 /nfs/dbraw/zinc/84/45/80/498844580.db2.gz SUCYNSHSKAGQGS-UHFFFAOYSA-N 1 2 367.497 3.137 20 10 FGCDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)NCc1ccc(N3CCCC3)cc1)CCC2 ZINC000370966682 499275678 /nfs/dbraw/zinc/27/56/78/499275678.db2.gz VARSQZZRQCVFDK-SFHVURJKSA-N 1 2 367.497 3.169 20 10 FGCDLO COc1cccc(C(=O)NC2CC[NH+](Cc3cccc(Cl)c3O)CC2)c1 ZINC000371477671 499332090 /nfs/dbraw/zinc/33/20/90/499332090.db2.gz OEXZHXGPMKJGOX-UHFFFAOYSA-N 1 2 374.868 3.449 20 10 FGCDLO CC[C@@H]([NH2+][C@H]1CCc2cn[nH]c2C1)c1cc(Br)ccc1O ZINC000372344511 499423196 /nfs/dbraw/zinc/42/31/96/499423196.db2.gz GCRSTHOVNYTPCE-GXTWGEPZSA-N 1 2 350.260 3.476 20 10 FGCDLO C[C@@H](O)CNc1cc(N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)nc[nH+]1 ZINC000413075052 499910361 /nfs/dbraw/zinc/91/03/61/499910361.db2.gz KCWGPPJYCCMRQX-CYBMUJFWSA-N 1 2 367.428 3.183 20 10 FGCDLO C[C@@H](O)CNc1cc(N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)[nH+]cn1 ZINC000413075052 499910362 /nfs/dbraw/zinc/91/03/62/499910362.db2.gz KCWGPPJYCCMRQX-CYBMUJFWSA-N 1 2 367.428 3.183 20 10 FGCDLO COc1ccc([C@H](CO)[N@H+](C)Cc2cc(Cl)cc(C(C)=O)c2O)cc1 ZINC000177168750 705610451 /nfs/dbraw/zinc/61/04/51/705610451.db2.gz BGIOWVYRHZXKMC-SFHVURJKSA-N 1 2 363.841 3.422 20 10 FGCDLO COc1ccc([C@H](CO)[N@@H+](C)Cc2cc(Cl)cc(C(C)=O)c2O)cc1 ZINC000177168750 705610454 /nfs/dbraw/zinc/61/04/54/705610454.db2.gz BGIOWVYRHZXKMC-SFHVURJKSA-N 1 2 363.841 3.422 20 10 FGCDLO CNC(=O)c1ccc(C[N@H+](C)Cc2cc(Cl)cc(C(C)=O)c2O)cc1 ZINC000177237531 705614356 /nfs/dbraw/zinc/61/43/56/705614356.db2.gz YBLUSDMYOLRLQT-UHFFFAOYSA-N 1 2 360.841 3.240 20 10 FGCDLO CNC(=O)c1ccc(C[N@@H+](C)Cc2cc(Cl)cc(C(C)=O)c2O)cc1 ZINC000177237531 705614361 /nfs/dbraw/zinc/61/43/61/705614361.db2.gz YBLUSDMYOLRLQT-UHFFFAOYSA-N 1 2 360.841 3.240 20 10 FGCDLO C[C@H]([NH2+]CC[C@H](C)[S@@](C)=O)c1cc(Br)cc(F)c1O ZINC000756763305 722969802 /nfs/dbraw/zinc/96/98/02/722969802.db2.gz WUDSTLVADSNZHS-OCCIGCLGSA-N 1 2 352.269 3.102 20 10 FGCDLO CC[C@@H]1C[N@H+](Cc2cc(C)cc(Br)c2O)C[C@@]2(CCOC2)O1 ZINC000793360873 723429690 /nfs/dbraw/zinc/42/96/90/723429690.db2.gz GXPJQUPISKFYHI-RHSMWYFYSA-N 1 2 370.287 3.233 20 10 FGCDLO CC[C@@H]1C[N@@H+](Cc2cc(C)cc(Br)c2O)C[C@@]2(CCOC2)O1 ZINC000793360873 723429692 /nfs/dbraw/zinc/42/96/92/723429692.db2.gz GXPJQUPISKFYHI-RHSMWYFYSA-N 1 2 370.287 3.233 20 10 FGCDLO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1cc(C)cc(Br)c1O ZINC000781903357 724610031 /nfs/dbraw/zinc/61/00/31/724610031.db2.gz ZSVDHWSPTRQFDM-HNNXBMFYSA-N 1 2 369.303 3.296 20 10 FGCDLO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1cc(C)cc(Br)c1O ZINC000781903357 724610032 /nfs/dbraw/zinc/61/00/32/724610032.db2.gz ZSVDHWSPTRQFDM-HNNXBMFYSA-N 1 2 369.303 3.296 20 10 FGCDLO CC(=O)c1cc(F)cc(C[NH+]2CCC(C(=O)OC(C)(C)C)CC2)c1O ZINC000750821778 722782397 /nfs/dbraw/zinc/78/23/97/722782397.db2.gz BQTCXVTYVRBUOT-UHFFFAOYSA-N 1 2 351.418 3.288 20 10 FGCDLO CCC(CC)[C@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1O)N1CCOCC1 ZINC000756399379 722963993 /nfs/dbraw/zinc/96/39/93/722963993.db2.gz NVOVONZFELNZDY-UGSOOPFHSA-N 1 2 356.457 3.458 20 10 FGCDLO COc1cc(Cl)cc(C[N@H+](C)Cc2nc(-c3cccnc3)no2)c1O ZINC000761197176 723132534 /nfs/dbraw/zinc/13/25/34/723132534.db2.gz AHBIUMRWALTHQK-UHFFFAOYSA-N 1 2 360.801 3.131 20 10 FGCDLO COc1cc(Cl)cc(C[N@@H+](C)Cc2nc(-c3cccnc3)no2)c1O ZINC000761197176 723132538 /nfs/dbraw/zinc/13/25/38/723132538.db2.gz AHBIUMRWALTHQK-UHFFFAOYSA-N 1 2 360.801 3.131 20 10 FGCDLO CS(=O)(=O)C[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)c1ccccc1 ZINC000765659298 723530924 /nfs/dbraw/zinc/53/09/24/723530924.db2.gz XPUHSNYPCKFZJL-HNNXBMFYSA-N 1 2 357.834 3.060 20 10 FGCDLO Cc1cc(Br)c(O)c(C[N@@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)c1 ZINC000796032113 723618248 /nfs/dbraw/zinc/61/82/48/723618248.db2.gz NWCBSXYLYMOXSY-SUMWQHHRSA-N 1 2 370.287 3.233 20 10 FGCDLO O=C(NC1CCCCC1)N1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000768264478 723652129 /nfs/dbraw/zinc/65/21/29/723652129.db2.gz QCXREGQSEAZAFW-UHFFFAOYSA-N 1 2 351.878 3.206 20 10 FGCDLO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2cccc(Br)c2O)C1 ZINC000775346241 723984100 /nfs/dbraw/zinc/98/41/00/723984100.db2.gz KXWGXCPHUHPBDN-YPMHNXCESA-N 1 2 371.275 3.111 20 10 FGCDLO Oc1c(Br)cc(Br)cc1C[NH2+]C[C@@H]1CCCO1 ZINC000775792518 724062512 /nfs/dbraw/zinc/06/25/12/724062512.db2.gz LRPIJZXUYJWPFU-JTQLQIEISA-N 1 2 365.065 3.186 20 10 FGCDLO Cc1ccc([C@H](C[NH2+]Cc2cc(Cl)cc(F)c2O)N2CCOCC2)o1 ZINC000775826917 724068255 /nfs/dbraw/zinc/06/82/55/724068255.db2.gz IXKCMUFDRLRUMF-INIZCTEOSA-N 1 2 368.836 3.249 20 10 FGCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CCCN(c2ncccc2F)CC1 ZINC000784675599 724871766 /nfs/dbraw/zinc/87/17/66/724871766.db2.gz LPCOONBZFMBTNR-UHFFFAOYSA-N 1 2 353.800 3.431 20 10 FGCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CCCN(c2ncccc2F)CC1 ZINC000784675599 724871768 /nfs/dbraw/zinc/87/17/68/724871768.db2.gz LPCOONBZFMBTNR-UHFFFAOYSA-N 1 2 353.800 3.431 20 10 FGCDLO CC[C@@H]([NH2+]CC(=O)NCc1ccc(OC)cc1)c1cccc(Cl)c1O ZINC000806135409 725117477 /nfs/dbraw/zinc/11/74/77/725117477.db2.gz SRSQPQAAAABUMW-QGZVFWFLSA-N 1 2 362.857 3.411 20 10 FGCDLO OC[C@@]1(C[NH2+]Cc2cccc(Br)c2O)C[C@H]1c1ccccc1 ZINC000810164491 725294166 /nfs/dbraw/zinc/29/41/66/725294166.db2.gz DWIRSSXIOPHDCW-YJBOKZPZSA-N 1 2 362.267 3.411 20 10 FGCDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cc(Cl)c(F)cc3O)C2)nc1 ZINC000816513908 727170254 /nfs/dbraw/zinc/17/02/54/727170254.db2.gz GMIDTTOIXDYSSD-LLVKDONJSA-N 1 2 366.780 3.174 20 10 FGCDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cc(Cl)c(F)cc3O)C2)nc1 ZINC000816513908 727170255 /nfs/dbraw/zinc/17/02/55/727170255.db2.gz GMIDTTOIXDYSSD-LLVKDONJSA-N 1 2 366.780 3.174 20 10 FGCDLO CC(=O)NCC[N@H+](Cc1ccsc1)Cc1cc(Cl)c(F)cc1O ZINC000816600212 727179454 /nfs/dbraw/zinc/17/94/54/727179454.db2.gz OXISVFZLNWCFON-UHFFFAOYSA-N 1 2 356.850 3.385 20 10 FGCDLO CC(=O)NCC[N@@H+](Cc1ccsc1)Cc1cc(Cl)c(F)cc1O ZINC000816600212 727179456 /nfs/dbraw/zinc/17/94/56/727179456.db2.gz OXISVFZLNWCFON-UHFFFAOYSA-N 1 2 356.850 3.385 20 10 FGCDLO CCc1nsc(N2CC[NH+](Cc3cc(Cl)c(C)cc3O)CC2)n1 ZINC000824855516 729362524 /nfs/dbraw/zinc/36/25/24/729362524.db2.gz MOSOHVOGQVNRPK-UHFFFAOYSA-N 1 2 352.891 3.090 20 10 FGCDLO Cc1cc(C(=O)C[N@@H+]2CCCO[C@@H](C)C2)c(C)n1-c1ccc(Cl)cn1 ZINC000827655045 729432962 /nfs/dbraw/zinc/43/29/62/729432962.db2.gz KNEHTMJLRKYJKW-AWEZNQCLSA-N 1 2 361.873 3.436 20 10 FGCDLO Cc1cc(C(=O)C[N@H+]2CCCO[C@@H](C)C2)c(C)n1-c1ccc(Cl)cn1 ZINC000827655045 729432963 /nfs/dbraw/zinc/43/29/63/729432963.db2.gz KNEHTMJLRKYJKW-AWEZNQCLSA-N 1 2 361.873 3.436 20 10 FGCDLO COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCc3cn[nH]c3C2)c1O ZINC000848533159 731176662 /nfs/dbraw/zinc/17/66/62/731176662.db2.gz OKKYYOAZYBEKNI-JOYOIKCWSA-N 1 2 366.259 3.095 20 10 FGCDLO COc1cc(CCC[NH2+]Cc2cccc(Cl)c2O)cc(OC)c1O ZINC000857068670 732099945 /nfs/dbraw/zinc/09/99/45/732099945.db2.gz BMEOALYFCBGQKP-UHFFFAOYSA-N 1 2 351.830 3.491 20 10 FGCDLO C[C@H]([NH2+]CCC[C@@H]1CCOC1=O)c1cc(Br)c(F)cc1O ZINC000872113625 735590541 /nfs/dbraw/zinc/59/05/41/735590541.db2.gz PLUJGWGBJYMZOB-VHSXEESVSA-N 1 2 360.223 3.288 20 10 FGCDLO Oc1c(Br)cc(Cl)cc1C[NH2+]C1(CF)CCOCC1 ZINC000883132684 737527488 /nfs/dbraw/zinc/52/74/88/737527488.db2.gz AJSYARXMSAXXGT-UHFFFAOYSA-N 1 2 352.631 3.416 20 10 FGCDLO CC(C)C(=O)NC1CC[NH+](Cc2cc(Br)cc(F)c2O)CC1 ZINC000893944082 742217410 /nfs/dbraw/zinc/21/74/10/742217410.db2.gz OJWUTYZEWIRLBL-UHFFFAOYSA-N 1 2 373.266 3.030 20 10 FGCDLO OCCC[N@H+](Cc1ccccn1)Cc1cc(Br)cc(F)c1O ZINC000894770966 742331400 /nfs/dbraw/zinc/33/14/00/742331400.db2.gz UHIJECDINDZKSZ-UHFFFAOYSA-N 1 2 369.234 3.073 20 10 FGCDLO OCCC[N@@H+](Cc1ccccn1)Cc1cc(Br)cc(F)c1O ZINC000894770966 742331410 /nfs/dbraw/zinc/33/14/10/742331410.db2.gz UHIJECDINDZKSZ-UHFFFAOYSA-N 1 2 369.234 3.073 20 10 FGCDLO c1ccc(-c2cnc(C[NH2+]Cc3ccc(N4CCOCC4)cc3)nc2)cc1 ZINC000185869124 495756358 /nfs/dbraw/zinc/75/63/58/495756358.db2.gz ZFMYXKNUDRSUPG-UHFFFAOYSA-N 1 2 360.461 3.270 20 10 FGCDLO C[C@H]([NH2+]Cc1ccccc1CN1CCCC1=O)c1cc([N+](=O)[O-])ccc1O ZINC000273387115 496790976 /nfs/dbraw/zinc/79/09/76/496790976.db2.gz JUZVQIUIZZCSRZ-AWEZNQCLSA-N 1 2 369.421 3.274 20 10 FGCDLO CCCNC(=O)c1cccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000273401686 496796131 /nfs/dbraw/zinc/79/61/31/496796131.db2.gz NEVXDRCWLLJCFF-CYBMUJFWSA-N 1 2 357.410 3.291 20 10 FGCDLO COc1cc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2O)cc(OC)c1OC ZINC000273430227 496804414 /nfs/dbraw/zinc/80/44/14/496804414.db2.gz VIONLZQSUXPATD-LLVKDONJSA-N 1 2 362.382 3.177 20 10 FGCDLO C[C@H]([NH2+]Cc1cccc(C(=O)NC2CC2)c1)c1cc([N+](=O)[O-])ccc1O ZINC000273466039 496814045 /nfs/dbraw/zinc/81/40/45/496814045.db2.gz DSNGZVKFWBGGAY-LBPRGKRZSA-N 1 2 355.394 3.043 20 10 FGCDLO COc1c(O)c(C[N@@H+]2C[C@@H](C)O[C@H](c3ccsc3)C2)ccc1[N+](=O)[O-] ZINC000278166003 497025057 /nfs/dbraw/zinc/02/50/57/497025057.db2.gz FESOUENRGZMSTD-ABAIWWIYSA-N 1 2 364.423 3.333 20 10 FGCDLO COc1c(O)c(C[N@H+]2C[C@@H](C)O[C@H](c3ccsc3)C2)ccc1[N+](=O)[O-] ZINC000278166003 497025060 /nfs/dbraw/zinc/02/50/60/497025060.db2.gz FESOUENRGZMSTD-ABAIWWIYSA-N 1 2 364.423 3.333 20 10 FGCDLO CO[C@@H]1C[C@@H](c2nc(C)no2)[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000190147270 497375501 /nfs/dbraw/zinc/37/55/01/497375501.db2.gz UJPJZVIKEDHWND-MOPGFXCFSA-N 1 2 356.470 3.330 20 10 FGCDLO CO[C@@H]1C[C@@H](c2nc(C)no2)[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000190147270 497375506 /nfs/dbraw/zinc/37/55/06/497375506.db2.gz UJPJZVIKEDHWND-MOPGFXCFSA-N 1 2 356.470 3.330 20 10 FGCDLO CO[C@@H]1C[C@H](c2nc(C)no2)[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000190147290 497376066 /nfs/dbraw/zinc/37/60/66/497376066.db2.gz UJPJZVIKEDHWND-RTBURBONSA-N 1 2 356.470 3.330 20 10 FGCDLO CO[C@@H]1C[C@H](c2nc(C)no2)[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000190147290 497376072 /nfs/dbraw/zinc/37/60/72/497376072.db2.gz UJPJZVIKEDHWND-RTBURBONSA-N 1 2 356.470 3.330 20 10 FGCDLO COc1cccc(-n2cc(C[NH2+]Cc3c(O)ccc(Cl)c3F)nn2)c1 ZINC000364573867 498030498 /nfs/dbraw/zinc/03/04/98/498030498.db2.gz IBGMWLTYOQIJID-UHFFFAOYSA-N 1 2 362.792 3.064 20 10 FGCDLO CO[C@H]1C[C@H](c2nc(C3CC3)no2)[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000364712536 498106367 /nfs/dbraw/zinc/10/63/67/498106367.db2.gz VOGZUBIOGFSSFB-WMLDXEAASA-N 1 2 360.433 3.114 20 10 FGCDLO CO[C@H]1C[C@H](c2nc(C3CC3)no2)[N@@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000364712536 498106373 /nfs/dbraw/zinc/10/63/73/498106373.db2.gz VOGZUBIOGFSSFB-WMLDXEAASA-N 1 2 360.433 3.114 20 10 FGCDLO COc1ccc(O)c(C[N@@H+]2CCCC[C@H]2c2nnc([C@H]3CCCO3)o2)c1 ZINC000289786951 498293469 /nfs/dbraw/zinc/29/34/69/498293469.db2.gz LMWGOXKPVDEXIN-DOTOQJQBSA-N 1 2 359.426 3.363 20 10 FGCDLO COc1ccc(O)c(C[N@H+]2CCCC[C@H]2c2nnc([C@H]3CCCO3)o2)c1 ZINC000289786951 498293476 /nfs/dbraw/zinc/29/34/76/498293476.db2.gz LMWGOXKPVDEXIN-DOTOQJQBSA-N 1 2 359.426 3.363 20 10 FGCDLO CN(C)c1ccc(CN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)C2CC2)cc1 ZINC000298337293 498737177 /nfs/dbraw/zinc/73/71/77/498737177.db2.gz CEBXIRUWKKUQJO-UHFFFAOYSA-N 1 2 361.449 3.138 20 10 FGCDLO CC[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1cccc(Cl)c1O ZINC000287547415 498793625 /nfs/dbraw/zinc/79/36/25/498793625.db2.gz FKBAVYJALBXJPG-NEPJUHHUSA-N 1 2 350.768 3.250 20 10 FGCDLO FC(F)c1nc(C2([NH2+]Cc3ccc(N4CCOCC4)cc3)CCC2)no1 ZINC000366537562 498970348 /nfs/dbraw/zinc/97/03/48/498970348.db2.gz ZGDCLBUAGNRMFB-UHFFFAOYSA-N 1 2 364.396 3.013 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)CCc3c(C)n[nH]c3C)CC2)cc1 ZINC000364042742 499096759 /nfs/dbraw/zinc/09/67/59/499096759.db2.gz RFPXSDYLENFLGI-UHFFFAOYSA-N 1 2 370.497 3.095 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(OC3CCOCC3)CC2)c1O ZINC000370208675 499197645 /nfs/dbraw/zinc/19/76/45/499197645.db2.gz YWYGCJPNYSHKDN-UHFFFAOYSA-N 1 2 367.873 3.408 20 10 FGCDLO CC[C@@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1cccc(Cl)c1O ZINC000367912452 499244491 /nfs/dbraw/zinc/24/44/91/499244491.db2.gz PZXNSOQFDXLUIZ-MRXNPFEDSA-N 1 2 372.918 3.043 20 10 FGCDLO CC(=O)c1cc(F)cc(C[NH2+]C2(c3noc(C(F)F)n3)CCC2)c1O ZINC000368335221 499286299 /nfs/dbraw/zinc/28/62/99/499286299.db2.gz YIEWFFIWEOOAJF-UHFFFAOYSA-N 1 2 355.316 3.224 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)Nc3cncc(F)c3)CC2)cc1 ZINC000376131523 499585196 /nfs/dbraw/zinc/58/51/96/499585196.db2.gz KCHNCBBCWDUCHB-UHFFFAOYSA-N 1 2 358.417 3.362 20 10 FGCDLO Cc1cc(Br)c(O)c(C[NH+]2CCN(c3ccccn3)CC2)c1 ZINC000781895147 724608372 /nfs/dbraw/zinc/60/83/72/724608372.db2.gz OGCKLDGOFIXXAB-UHFFFAOYSA-N 1 2 362.271 3.180 20 10 FGCDLO O=C(NCCCSc1nccs1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000733972995 722503044 /nfs/dbraw/zinc/50/30/44/722503044.db2.gz CKGRGHFEOWWDFI-UHFFFAOYSA-N 1 2 358.492 3.300 20 10 FGCDLO C[C@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)c1cc(F)cc(F)c1O ZINC000756398498 722963961 /nfs/dbraw/zinc/96/39/61/722963961.db2.gz JFGCPDXZDYOCKL-NSHDSACASA-N 1 2 350.365 3.219 20 10 FGCDLO CCC(CC)[C@@H](C[NH2+][C@H](C)c1cc(F)cc(F)c1O)N1CCOCC1 ZINC000756399374 722963990 /nfs/dbraw/zinc/96/39/90/722963990.db2.gz NVOVONZFELNZDY-FZKQIMNGSA-N 1 2 356.457 3.458 20 10 FGCDLO C[C@@H]([NH2+]CCCNC(=O)c1ccc(F)cc1)c1cc(F)cc(F)c1O ZINC000756708035 722968851 /nfs/dbraw/zinc/96/88/51/722968851.db2.gz LZYORYAXEMHLHC-LLVKDONJSA-N 1 2 352.356 3.280 20 10 FGCDLO COC[C@@H](C[NH2+][C@H](C)c1cc(Br)cc(Cl)c1O)OC ZINC000757639160 722977786 /nfs/dbraw/zinc/97/77/86/722977786.db2.gz NQWAIPQYIGATSN-PSASIEDQSA-N 1 2 352.656 3.120 20 10 FGCDLO C[C@H]1C[NH+](Cc2ccc(OCc3ccccc3)cc2O)C[C@H](C)S1=O ZINC000792192337 723320160 /nfs/dbraw/zinc/32/01/60/723320160.db2.gz MRJMOORRUIBHJE-HOTGVXAUSA-N 1 2 359.491 3.313 20 10 FGCDLO COc1cc(Br)cc(C[N@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)c1O ZINC000793214586 723411988 /nfs/dbraw/zinc/41/19/88/723411988.db2.gz PDCKAANSWXDPBB-BONVTDFDSA-N 1 2 356.260 3.163 20 10 FGCDLO COc1cc(Br)cc(C[N@@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)c1O ZINC000793214586 723411991 /nfs/dbraw/zinc/41/19/91/723411991.db2.gz PDCKAANSWXDPBB-BONVTDFDSA-N 1 2 356.260 3.163 20 10 FGCDLO CC(=O)N1CCC[C@@H](C[NH2+][C@H](C)c2cc(Br)c(F)cc2O)C1 ZINC000794836050 723548455 /nfs/dbraw/zinc/54/84/55/723548455.db2.gz RKCPKUYWUOMNSD-PWSUYJOCSA-N 1 2 373.266 3.203 20 10 FGCDLO C[C@H](NC(=O)OC(C)(C)C)[C@H]1C[N@H+](Cc2c(O)cccc2Cl)CCO1 ZINC000770355466 723711816 /nfs/dbraw/zinc/71/18/16/723711816.db2.gz XFVLIABKJUAZBY-BLLLJJGKSA-N 1 2 370.877 3.160 20 10 FGCDLO C[C@H](NC(=O)OC(C)(C)C)[C@H]1C[N@@H+](Cc2c(O)cccc2Cl)CCO1 ZINC000770355466 723711818 /nfs/dbraw/zinc/71/18/18/723711818.db2.gz XFVLIABKJUAZBY-BLLLJJGKSA-N 1 2 370.877 3.160 20 10 FGCDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)nc1 ZINC000775710868 724028778 /nfs/dbraw/zinc/02/87/78/724028778.db2.gz NTXOUGGOCJDIIQ-GFCCVEGCSA-N 1 2 366.780 3.174 20 10 FGCDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cc(Cl)cc(F)c3O)C2)nc1 ZINC000775710868 724028783 /nfs/dbraw/zinc/02/87/83/724028783.db2.gz NTXOUGGOCJDIIQ-GFCCVEGCSA-N 1 2 366.780 3.174 20 10 FGCDLO Cc1ccc(C[NH2+][C@H](C)c2cc(Br)cc(F)c2O)c(=O)n1C ZINC000786940649 725009135 /nfs/dbraw/zinc/00/91/35/725009135.db2.gz YSSWEFAZBPRXJY-SNVBAGLBSA-N 1 2 369.234 3.152 20 10 FGCDLO CC[C@H]([NH2+][C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)c1cccc(Cl)c1O ZINC000806154280 725118453 /nfs/dbraw/zinc/11/84/53/725118453.db2.gz DCGVVOWDFJAGPS-XFBWCDHKSA-N 1 2 362.861 3.014 20 10 FGCDLO C[C@@H]([NH2+]C[C@H](CO)c1cccnc1)c1cc(Br)c(F)cc1O ZINC000806178383 725119823 /nfs/dbraw/zinc/11/98/23/725119823.db2.gz FZFPXOHLGMYRTL-ZYHUDNBSSA-N 1 2 369.234 3.116 20 10 FGCDLO C[N@H+](Cc1cc(Cl)c(F)cc1O)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000816590357 727178074 /nfs/dbraw/zinc/17/80/74/727178074.db2.gz XZOPPRAHSWGYKU-KRWDZBQOSA-N 1 2 362.832 3.418 20 10 FGCDLO C[N@@H+](Cc1cc(Cl)c(F)cc1O)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000816590357 727178078 /nfs/dbraw/zinc/17/80/78/727178078.db2.gz XZOPPRAHSWGYKU-KRWDZBQOSA-N 1 2 362.832 3.418 20 10 FGCDLO O=C1NCCC[N@@H+](Cc2c(O)ccc(Cl)c2F)[C@H]1Cc1ccccc1 ZINC000816641352 727183580 /nfs/dbraw/zinc/18/35/80/727183580.db2.gz OXZFMWLSZVZVOU-INIZCTEOSA-N 1 2 362.832 3.118 20 10 FGCDLO O=C1NCCC[N@H+](Cc2c(O)ccc(Cl)c2F)[C@H]1Cc1ccccc1 ZINC000816641352 727183581 /nfs/dbraw/zinc/18/35/81/727183581.db2.gz OXZFMWLSZVZVOU-INIZCTEOSA-N 1 2 362.832 3.118 20 10 FGCDLO C[C@H](N[C@@H]1C[NH2+]CCC1(F)F)c1cc(Br)cc(Cl)c1O ZINC000817980241 727290456 /nfs/dbraw/zinc/29/04/56/727290456.db2.gz KCDBUMSYIWMBRI-WRWORJQWSA-N 1 2 369.637 3.456 20 10 FGCDLO COc1cc(Br)cc(C[N@@H+]2CCO[C@@](C)(C3CC3)C2)c1O ZINC000826878026 729417706 /nfs/dbraw/zinc/41/77/06/729417706.db2.gz QQGXJNOILWGSMX-MRXNPFEDSA-N 1 2 356.260 3.164 20 10 FGCDLO COc1cc(Br)cc(C[N@H+]2CCO[C@@](C)(C3CC3)C2)c1O ZINC000826878026 729417708 /nfs/dbraw/zinc/41/77/08/729417708.db2.gz QQGXJNOILWGSMX-MRXNPFEDSA-N 1 2 356.260 3.164 20 10 FGCDLO COc1ccc(N2C[C@@H]([NH2+]Cc3cc(Cl)cc(F)c3O)CC2=O)cc1 ZINC000826981465 729420907 /nfs/dbraw/zinc/42/09/07/729420907.db2.gz XLYPZUHKLZGXRF-ZDUSSCGKSA-N 1 2 364.804 3.088 20 10 FGCDLO CC[N@H+](Cc1nc(C2CC2)nn1C)Cc1cc(Br)ccc1O ZINC000827965143 729437904 /nfs/dbraw/zinc/43/79/04/729437904.db2.gz QGMHZWVPVXAKQC-UHFFFAOYSA-N 1 2 365.275 3.183 20 10 FGCDLO CC[N@@H+](Cc1nc(C2CC2)nn1C)Cc1cc(Br)ccc1O ZINC000827965143 729437905 /nfs/dbraw/zinc/43/79/05/729437905.db2.gz QGMHZWVPVXAKQC-UHFFFAOYSA-N 1 2 365.275 3.183 20 10 FGCDLO Cc1cc(C(=O)C[N@H+]2CCOCC[C@H]2C)c(C)n1-c1ccc(Cl)cn1 ZINC000828711614 729446822 /nfs/dbraw/zinc/44/68/22/729446822.db2.gz KFBMLGSAPCTVER-CYBMUJFWSA-N 1 2 361.873 3.436 20 10 FGCDLO Cc1cc(C(=O)C[N@@H+]2CCOCC[C@H]2C)c(C)n1-c1ccc(Cl)cn1 ZINC000828711614 729446823 /nfs/dbraw/zinc/44/68/23/729446823.db2.gz KFBMLGSAPCTVER-CYBMUJFWSA-N 1 2 361.873 3.436 20 10 FGCDLO CN(C)c1ccc(C[N@@H+]2CCO[C@@]3(CCSC3)C2)c(C(F)(F)F)c1 ZINC000843417367 730618166 /nfs/dbraw/zinc/61/81/66/730618166.db2.gz CZZOAWXWFUGBMH-INIZCTEOSA-N 1 2 360.445 3.479 20 10 FGCDLO CN(C)c1ccc(C[N@H+]2CCO[C@@]3(CCSC3)C2)c(C(F)(F)F)c1 ZINC000843417367 730618167 /nfs/dbraw/zinc/61/81/67/730618167.db2.gz CZZOAWXWFUGBMH-INIZCTEOSA-N 1 2 360.445 3.479 20 10 FGCDLO CC[C@@H]([NH2+]CCN1C[C@@H]2CCCCN2C1=O)c1cccc(Cl)c1O ZINC000850561129 731373687 /nfs/dbraw/zinc/37/36/87/731373687.db2.gz HZXQHVKVIXSWDS-XJKSGUPXSA-N 1 2 351.878 3.376 20 10 FGCDLO COC(=O)C1=CC[C@H]([NH2+][C@H](C)c2cc(Br)c(F)cc2O)C1 ZINC000858473604 732218465 /nfs/dbraw/zinc/21/84/65/732218465.db2.gz PILSMIJEINNABN-SCZZXKLOSA-N 1 2 358.207 3.206 20 10 FGCDLO CC[C@@H]([NH2+]Cc1nnc(C2CCOCC2)[nH]1)c1cc(Cl)ccc1O ZINC000866439944 733349630 /nfs/dbraw/zinc/34/96/30/733349630.db2.gz ARGSCUQTVZKNPT-CQSZACIVSA-N 1 2 350.850 3.299 20 10 FGCDLO C[C@@H]([NH2+]CCC[C@@H]1CCOC1=O)c1cc(Br)c(F)cc1O ZINC000872113623 735590407 /nfs/dbraw/zinc/59/04/07/735590407.db2.gz PLUJGWGBJYMZOB-NXEZZACHSA-N 1 2 360.223 3.288 20 10 FGCDLO C[C@H](C[NH2+]Cc1cc(Cl)c(F)cc1O)c1ccc(S(C)(=O)=O)cc1 ZINC000877728401 736710398 /nfs/dbraw/zinc/71/03/98/736710398.db2.gz DWYNQTFYKRFEPM-LLVKDONJSA-N 1 2 371.861 3.482 20 10 FGCDLO [O-]c1c(Br)cc(Cl)cc1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000883093436 737522494 /nfs/dbraw/zinc/52/24/94/737522494.db2.gz VRRJQBBACKBSNL-LLVKDONJSA-N 1 2 356.651 3.109 20 10 FGCDLO CCn1cccc(C[NH2+]Cc2cc(Cl)cc(Br)c2O)c1=O ZINC000883105910 737524068 /nfs/dbraw/zinc/52/40/68/737524068.db2.gz ABNCYFBKKFRZJL-UHFFFAOYSA-N 1 2 371.662 3.280 20 10 FGCDLO O=C(c1ccsc1)N1CCC[N@@H+](Cc2cc(F)cc(F)c2O)CC1 ZINC000893968136 742220298 /nfs/dbraw/zinc/22/02/98/742220298.db2.gz YPPCHIBHTSDCTA-UHFFFAOYSA-N 1 2 352.406 3.080 20 10 FGCDLO O=C(c1ccsc1)N1CCC[N@H+](Cc2cc(F)cc(F)c2O)CC1 ZINC000893968136 742220301 /nfs/dbraw/zinc/22/03/01/742220301.db2.gz YPPCHIBHTSDCTA-UHFFFAOYSA-N 1 2 352.406 3.080 20 10 FGCDLO Oc1c(F)cc(Br)cc1C[NH+]1CCC2(CC1)OCCCO2 ZINC000894860457 742344142 /nfs/dbraw/zinc/34/41/42/742344142.db2.gz LZWRFNNGBZEJDG-UHFFFAOYSA-N 1 2 360.223 3.023 20 10 FGCDLO CCn1c[nH+]c2c1CCN(Cc1cc(C)cc(Br)c1O)C2 ZINC000897333058 742669726 /nfs/dbraw/zinc/66/97/26/742669726.db2.gz AWNMBBBRSYDKOH-UHFFFAOYSA-N 1 2 350.260 3.238 20 10 FGCDLO CC(C)[C@@H]([NH2+][C@@H](C)c1cc(Br)c(F)cc1O)c1nncn1C ZINC000903063047 743800857 /nfs/dbraw/zinc/80/08/57/743800857.db2.gz BQHHOFGKRIWMQX-LKFCYVNXSA-N 1 2 371.254 3.470 20 10 FGCDLO C[C@@H]([NH2+]CCO[C@@H]1CCOC1)c1cc(Br)cc(Cl)c1O ZINC000927081895 759887812 /nfs/dbraw/zinc/88/78/12/759887812.db2.gz YBHLPQMIPZIXBQ-MWLCHTKSSA-N 1 2 364.667 3.264 20 10 FGCDLO O=[N+]([O-])c1ccc(O)c(C[NH2+]C2(c3ccc(F)cc3F)CCOCC2)c1 ZINC000089803108 494367383 /nfs/dbraw/zinc/36/73/83/494367383.db2.gz BUCVPNSQPFXLMA-UHFFFAOYSA-N 1 2 364.348 3.374 20 10 FGCDLO Oc1ccccc1C[N@@H+](Cc1nccn1CC(F)(F)F)C[C@@H]1CCCO1 ZINC000112600425 495210897 /nfs/dbraw/zinc/21/08/97/495210897.db2.gz ILOWZNYPABXQTB-HNNXBMFYSA-N 1 2 369.387 3.332 20 10 FGCDLO Oc1ccccc1C[N@H+](Cc1nccn1CC(F)(F)F)C[C@@H]1CCCO1 ZINC000112600425 495210901 /nfs/dbraw/zinc/21/09/01/495210901.db2.gz ILOWZNYPABXQTB-HNNXBMFYSA-N 1 2 369.387 3.332 20 10 FGCDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000185383410 495557373 /nfs/dbraw/zinc/55/73/73/495557373.db2.gz IAUGEUIVXKABNZ-KQIUPUNMSA-N 1 2 358.463 3.078 20 10 FGCDLO COc1cc(Cl)cc(C[NH+]2CCN([C@@H](C)c3nccs3)CC2)c1O ZINC000185610328 495643245 /nfs/dbraw/zinc/64/32/45/495643245.db2.gz VSGIGJFDBGCBRR-LBPRGKRZSA-N 1 2 367.902 3.390 20 10 FGCDLO OC[C@@H](C[C@H](O)c1ccccc1)[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000269956840 497032277 /nfs/dbraw/zinc/03/22/77/497032277.db2.gz TWQPMGVORUZBCI-ZBFHGGJFSA-N 1 2 356.249 3.273 20 10 FGCDLO Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1C(=O)c1cccc(O)c1O ZINC000279791103 497542972 /nfs/dbraw/zinc/54/29/72/497542972.db2.gz ITANDSGBNOESFD-CQSZACIVSA-N 1 2 351.406 3.061 20 10 FGCDLO CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2ccc(F)c(F)c2O)s1 ZINC000280291786 497710203 /nfs/dbraw/zinc/71/02/03/497710203.db2.gz ZFTOWTHLXDNJHF-SECBINFHSA-N 1 2 361.435 3.376 20 10 FGCDLO C[C@@H]([NH2+][C@@H](CN1CCOCC1)c1ccccc1)c1ccc(F)c(F)c1O ZINC000191189300 497737850 /nfs/dbraw/zinc/73/78/50/497737850.db2.gz ZZNXFWMJOSWQHT-KDOFPFPSSA-N 1 2 362.420 3.395 20 10 FGCDLO COCCn1ncc2c1[C@@H]([NH2+][C@H](C)c1ccc(F)c(F)c1O)CCC2 ZINC000364798663 498149067 /nfs/dbraw/zinc/14/90/67/498149067.db2.gz ZPWLRELSZGQCOB-ABAIWWIYSA-N 1 2 351.397 3.242 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)c3cncnc3C(C)C)CC2)cc1 ZINC000360167332 498252828 /nfs/dbraw/zinc/25/28/28/498252828.db2.gz ZXDMZGCHLUBUAG-UHFFFAOYSA-N 1 2 368.481 3.350 20 10 FGCDLO COc1ccc(CC(=O)N(C)C2CC[NH+](c3ccc(OC)cc3)CC2)cc1 ZINC000363447945 498827294 /nfs/dbraw/zinc/82/72/94/498827294.db2.gz WUMMYNXNCLXWDQ-UHFFFAOYSA-N 1 2 368.477 3.374 20 10 FGCDLO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000332933083 498839672 /nfs/dbraw/zinc/83/96/72/498839672.db2.gz JCVIVGAHDWMHTR-FOIQADDNSA-N 1 2 365.481 3.476 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](OCc3ccncc3)C2)c1O ZINC000287805969 498867550 /nfs/dbraw/zinc/86/75/50/498867550.db2.gz OSYNCIUWYLYAMC-KRWDZBQOSA-N 1 2 360.841 3.434 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](OCc3ccncc3)C2)c1O ZINC000287805969 498867558 /nfs/dbraw/zinc/86/75/58/498867558.db2.gz OSYNCIUWYLYAMC-KRWDZBQOSA-N 1 2 360.841 3.434 20 10 FGCDLO C[C@H]([NH2+][C@H]1CCO[C@@]2(CCOC2)C1)c1cc(Br)cc(F)c1O ZINC000369903599 499148863 /nfs/dbraw/zinc/14/88/63/499148863.db2.gz ZMNJXTOYPQZLOH-PKWAYOAASA-N 1 2 374.250 3.283 20 10 FGCDLO CN(C)c1ccc(C2=CC[N@H+](Cc3ccc(S(C)(=O)=O)cc3)C2)cc1 ZINC000367456365 499201000 /nfs/dbraw/zinc/20/10/00/499201000.db2.gz BPCYJWRPVXABLR-UHFFFAOYSA-N 1 2 356.491 3.055 20 10 FGCDLO CN(C)c1ccc(C2=CC[N@@H+](Cc3ccc(S(C)(=O)=O)cc3)C2)cc1 ZINC000367456365 499201002 /nfs/dbraw/zinc/20/10/02/499201002.db2.gz BPCYJWRPVXABLR-UHFFFAOYSA-N 1 2 356.491 3.055 20 10 FGCDLO CC[C@@H](c1cccc(Cl)c1O)[N@@H+]1CCO[C@@H](c2nncn2CC)C1 ZINC000367897382 499242983 /nfs/dbraw/zinc/24/29/83/499242983.db2.gz SQULMGVCXLUYKE-LSDHHAIUSA-N 1 2 350.850 3.182 20 10 FGCDLO CC[C@@H](c1cccc(Cl)c1O)[N@H+]1CCO[C@@H](c2nncn2CC)C1 ZINC000367897382 499242985 /nfs/dbraw/zinc/24/29/85/499242985.db2.gz SQULMGVCXLUYKE-LSDHHAIUSA-N 1 2 350.850 3.182 20 10 FGCDLO COc1cc(O)c(C[N@@H+]2CC(=O)Nc3cccc4c3[C@@H]2CCC4)cc1OC ZINC000368160344 499270187 /nfs/dbraw/zinc/27/01/87/499270187.db2.gz GOAIFYNMPFEFAB-INIZCTEOSA-N 1 2 368.433 3.241 20 10 FGCDLO COc1cc(O)c(C[N@H+]2CC(=O)Nc3cccc4c3[C@@H]2CCC4)cc1OC ZINC000368160344 499270188 /nfs/dbraw/zinc/27/01/88/499270188.db2.gz GOAIFYNMPFEFAB-INIZCTEOSA-N 1 2 368.433 3.241 20 10 FGCDLO CC(C)(O)C[N@@H+]1CCc2c(cccc2NCc2cc([N+](=O)[O-])ccc2O)C1 ZINC000371753685 499361743 /nfs/dbraw/zinc/36/17/43/499361743.db2.gz PSMNTFLZGWOCAM-UHFFFAOYSA-N 1 2 371.437 3.042 20 10 FGCDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)NCc1ccc2c(c1)CCN2C ZINC000373773894 499487321 /nfs/dbraw/zinc/48/73/21/499487321.db2.gz VPDQSTVIEGJUDM-LJQANCHMSA-N 1 2 367.497 3.332 20 10 FGCDLO O=C([O-])C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1cc(Cl)ccc1O ZINC000739793617 600315934 /nfs/dbraw/zinc/31/59/34/600315934.db2.gz IIRWGIVHVWJFAE-UHFFFAOYSA-N 1 2 371.824 3.318 20 10 FGCDLO O=C([O-])C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1cc(Cl)ccc1O ZINC000739793617 600315937 /nfs/dbraw/zinc/31/59/37/600315937.db2.gz IIRWGIVHVWJFAE-UHFFFAOYSA-N 1 2 371.824 3.318 20 10 FGCDLO Oc1c(Br)cccc1C[N@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000123720271 700709199 /nfs/dbraw/zinc/70/91/99/700709199.db2.gz VLMGEUBWVSAOPO-PWSUYJOCSA-N 1 2 354.166 3.042 20 10 FGCDLO Oc1c(Br)cccc1C[N@@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000123720271 700709201 /nfs/dbraw/zinc/70/92/01/700709201.db2.gz VLMGEUBWVSAOPO-PWSUYJOCSA-N 1 2 354.166 3.042 20 10 FGCDLO COCCOCCCC[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000756516248 722966034 /nfs/dbraw/zinc/96/60/34/722966034.db2.gz ITCTZFFUUDXCRJ-NSHDSACASA-N 1 2 364.255 3.388 20 10 FGCDLO C[C@@H](O)C[C@@H](C)[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000783602129 724770303 /nfs/dbraw/zinc/77/03/03/724770303.db2.gz FZCSDILRXITPCG-HTQZYQBOSA-N 1 2 367.081 3.166 20 10 FGCDLO CC[C@@H](C)NC(=O)CC[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000756454531 722964970 /nfs/dbraw/zinc/96/49/70/722964970.db2.gz GCRGCZDVKZFXFW-NXEZZACHSA-N 1 2 361.255 3.249 20 10 FGCDLO C[C@@H]([NH2+][C@@H]1CCN(CC2CC2)C1)c1cc(Br)cc(F)c1O ZINC000756553996 722966698 /nfs/dbraw/zinc/96/66/98/722966698.db2.gz NOYVRNHNQIKIJA-ZWNOBZJWSA-N 1 2 357.267 3.429 20 10 FGCDLO C[C@H]([NH2+]CCCN1CCCCC1=O)c1cc(Br)cc(F)c1O ZINC000756554862 722966720 /nfs/dbraw/zinc/96/67/20/722966720.db2.gz JUEHQULRLVTUPD-NSHDSACASA-N 1 2 373.266 3.347 20 10 FGCDLO C[C@@H]([NH2+][C@H]1CCN(CC2CC2)C1)c1cc(Br)c(F)cc1O ZINC000756555019 722966767 /nfs/dbraw/zinc/96/67/67/722966767.db2.gz PTHWESABNZMLBV-PWSUYJOCSA-N 1 2 357.267 3.429 20 10 FGCDLO C[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@H]1C)c1cc(Br)cc(F)c1O ZINC000756645822 722968107 /nfs/dbraw/zinc/96/81/07/722968107.db2.gz IYEGNEQNHPKVKL-HFBDOXOYSA-N 1 2 357.267 3.427 20 10 FGCDLO C[C@H]([NH2+]Cc1ccnc(N(C)C)n1)c1cc(Br)c(F)cc1O ZINC000756789367 722970108 /nfs/dbraw/zinc/97/01/08/722970108.db2.gz HFCBIKYJCLKTEV-VIFPVBQESA-N 1 2 369.238 3.001 20 10 FGCDLO COC[C@H](C[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1O)OC ZINC000757639165 722977827 /nfs/dbraw/zinc/97/78/27/722977827.db2.gz NQWAIPQYIGATSN-WPRPVWTQSA-N 1 2 352.656 3.120 20 10 FGCDLO CCS(=O)(=O)c1ccc(C[NH2+]Cc2cc(Cl)cc(F)c2O)s1 ZINC000793203985 723410395 /nfs/dbraw/zinc/41/03/95/723410395.db2.gz KEWFUMISAIHCEE-UHFFFAOYSA-N 1 2 363.863 3.330 20 10 FGCDLO Oc1cc2c(cc1C[N@@H+]1CCO[C@@H](c3cccc(Cl)c3)C1)[C@@H](O)CO2 ZINC000767504501 723621369 /nfs/dbraw/zinc/62/13/69/723621369.db2.gz ULLGDBRKJNRXKR-PKOBYXMFSA-N 1 2 361.825 3.045 20 10 FGCDLO Oc1cc2c(cc1C[N@H+]1CCO[C@@H](c3cccc(Cl)c3)C1)[C@@H](O)CO2 ZINC000767504501 723621371 /nfs/dbraw/zinc/62/13/71/723621371.db2.gz ULLGDBRKJNRXKR-PKOBYXMFSA-N 1 2 361.825 3.045 20 10 FGCDLO Oc1cc2c(cc1C[N@@H+]1CCO[C@@H](c3cccc(Cl)c3)C1)[C@H](O)CO2 ZINC000767504483 723621481 /nfs/dbraw/zinc/62/14/81/723621481.db2.gz ULLGDBRKJNRXKR-IEBWSBKVSA-N 1 2 361.825 3.045 20 10 FGCDLO Oc1cc2c(cc1C[N@H+]1CCO[C@@H](c3cccc(Cl)c3)C1)[C@H](O)CO2 ZINC000767504483 723621482 /nfs/dbraw/zinc/62/14/82/723621482.db2.gz ULLGDBRKJNRXKR-IEBWSBKVSA-N 1 2 361.825 3.045 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c1O ZINC000769900584 723699807 /nfs/dbraw/zinc/69/98/07/723699807.db2.gz QFZQACVQBGTVDO-BMIGLBTASA-N 1 2 365.779 3.383 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c1O ZINC000769900584 723699808 /nfs/dbraw/zinc/69/98/08/723699808.db2.gz QFZQACVQBGTVDO-BMIGLBTASA-N 1 2 365.779 3.383 20 10 FGCDLO Cc1cc(Cl)cc(C[N@@H+]2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)c1O ZINC000776017614 724098081 /nfs/dbraw/zinc/09/80/81/724098081.db2.gz QCCFEBRZRGPYAP-HNNXBMFYSA-N 1 2 370.877 3.080 20 10 FGCDLO Cc1cc(Cl)cc(C[N@H+]2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)c1O ZINC000776017614 724098088 /nfs/dbraw/zinc/09/80/88/724098088.db2.gz QCCFEBRZRGPYAP-HNNXBMFYSA-N 1 2 370.877 3.080 20 10 FGCDLO Oc1c(Br)cc(Br)cc1C[NH2+]Cc1cocn1 ZINC000776187785 724117138 /nfs/dbraw/zinc/11/71/38/724117138.db2.gz AAGKEWIBKMFINA-UHFFFAOYSA-N 1 2 362.021 3.195 20 10 FGCDLO C[C@@H]1C[C@H]([NH2+]Cc2cc(Br)cc(Br)c2O)CO1 ZINC000843433455 730620646 /nfs/dbraw/zinc/62/06/46/730620646.db2.gz ZZGSOJGKIGKMFP-XCBNKYQSSA-N 1 2 365.065 3.184 20 10 FGCDLO CCN(Cc1cc(Br)ccc1O)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000847572606 731066530 /nfs/dbraw/zinc/06/65/30/731066530.db2.gz MOOYCBKPZLYNIT-LLVKDONJSA-N 1 2 366.259 3.105 20 10 FGCDLO CCN(Cc1cc(Br)ccc1O)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000847572606 731066533 /nfs/dbraw/zinc/06/65/33/731066533.db2.gz MOOYCBKPZLYNIT-LLVKDONJSA-N 1 2 366.259 3.105 20 10 FGCDLO COc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)c2csnn2)c1O ZINC000848552726 731180524 /nfs/dbraw/zinc/18/05/24/731180524.db2.gz DJPSZBATSMRCDK-SFYZADRCSA-N 1 2 358.261 3.427 20 10 FGCDLO C[NH2+]C[C@H](C)[NH2+][C@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000854233057 731807040 /nfs/dbraw/zinc/80/70/40/731807040.db2.gz WBDGEFUVDXQPSK-JGVFFNPUSA-N 1 2 366.097 3.176 20 10 FGCDLO Cc1cc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)c(C)n1-c1cccc(Cl)c1 ZINC000857887831 732166270 /nfs/dbraw/zinc/16/62/70/732166270.db2.gz PGVZYQPBIJFUBW-OAHLLOKOSA-N 1 2 354.841 3.299 20 10 FGCDLO COC(=O)C1C[C@H](C)[NH+](Cc2cc(Cl)cc(C(C)=O)c2O)[C@@H](C)C1 ZINC000860189718 732466486 /nfs/dbraw/zinc/46/64/86/732466486.db2.gz WHJUFSZMFRICQL-QWRGUYRKSA-N 1 2 353.846 3.410 20 10 FGCDLO C[C@@H](N1CC[NH+](Cc2c(O)cccc2Br)CC1)C(F)(F)F ZINC000862252736 732799102 /nfs/dbraw/zinc/79/91/02/732799102.db2.gz WVBWDZUJIYDEQW-SNVBAGLBSA-N 1 2 367.209 3.223 20 10 FGCDLO CN(C)c1ccc(CN(C)C(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)cc1 ZINC000873860393 735811630 /nfs/dbraw/zinc/81/16/30/735811630.db2.gz KWSPFXVXZYTQLU-HNNXBMFYSA-N 1 2 354.376 3.101 20 10 FGCDLO C[C@H](C[NH2+]Cc1cccc(Cl)c1O)c1ccc(S(C)(=O)=O)cc1 ZINC000877729370 736710430 /nfs/dbraw/zinc/71/04/30/736710430.db2.gz RAOFXYYYFMEEGA-GFCCVEGCSA-N 1 2 353.871 3.342 20 10 FGCDLO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cccc(Cl)c2O)cc1OC ZINC000877831039 736733620 /nfs/dbraw/zinc/73/36/20/736733620.db2.gz NVZDNTOQEYEFRE-IBGZPJMESA-N 1 2 365.857 3.146 20 10 FGCDLO Oc1c(F)cc(Br)cc1C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000893974383 742221521 /nfs/dbraw/zinc/22/15/21/742221521.db2.gz SFVMBNVLCQIMDE-UHFFFAOYSA-N 1 2 354.223 3.397 20 10 FGCDLO CCc1cnc(C[NH2+]Cc2c3cc(F)ccc3n(C)c2C(=O)OC)s1 ZINC000894315224 742266700 /nfs/dbraw/zinc/26/67/00/742266700.db2.gz IGKIVJRTRCZNNO-UHFFFAOYSA-N 1 2 361.442 3.413 20 10 FGCDLO C[C@@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@@H]1n1cc[nH+]c1 ZINC000896980950 742625960 /nfs/dbraw/zinc/62/59/60/742625960.db2.gz PSWTYVBPKUAZRZ-YPMHNXCESA-N 1 2 357.435 3.232 20 10 FGCDLO CC(C)[C@H]([NH2+][C@H](C)c1cc(Br)cc(F)c1O)c1nncn1C ZINC000903063923 743800919 /nfs/dbraw/zinc/80/09/19/743800919.db2.gz JELIZOZOPHVUKO-RNCFNFMXSA-N 1 2 371.254 3.470 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)c3cc(C(C)C)n(C)n3)CC2)cc1 ZINC000081937974 493969666 /nfs/dbraw/zinc/96/96/66/493969666.db2.gz NCZVQYAWAKQFNC-UHFFFAOYSA-N 1 2 370.497 3.293 20 10 FGCDLO O=C(NCc1ccc(N2CC=CC2)cc1)NCc1ccccc1-n1cc[nH+]c1 ZINC000126105009 494638890 /nfs/dbraw/zinc/63/88/90/494638890.db2.gz JUXJIIKNOXWLLM-UHFFFAOYSA-N 1 2 373.460 3.248 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)CC[C@@H]3CC[C@H](C)O3)CC2)cc1 ZINC000075197054 494705202 /nfs/dbraw/zinc/70/52/02/494705202.db2.gz GRPYXIHRPZADFO-JXFKEZNVSA-N 1 2 360.498 3.470 20 10 FGCDLO CC[C@@H]([NH2+]CC1(C(N)=O)CCOCC1)c1ccc(Cl)c(Cl)c1O ZINC000155109142 495839162 /nfs/dbraw/zinc/83/91/62/495839162.db2.gz MTQJAILAMNFDEQ-GFCCVEGCSA-N 1 2 361.269 3.022 20 10 FGCDLO O=C(NCc1ccc(N2CCCC2)cc1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000171714928 496003410 /nfs/dbraw/zinc/00/34/10/496003410.db2.gz QDJFVORWMNUNRZ-SFHVURJKSA-N 1 2 353.470 3.447 20 10 FGCDLO COc1cc(Cl)cc(C[NH+]2CCN(C(=O)c3cccs3)CC2)c1O ZINC000184674969 496489318 /nfs/dbraw/zinc/48/93/18/496489318.db2.gz JADIFIXRHQYYNS-UHFFFAOYSA-N 1 2 366.870 3.074 20 10 FGCDLO C[C@@H]([NH2+][C@H](CN1CCCC1=O)c1ccccc1)c1cc([N+](=O)[O-])ccc1O ZINC000273302360 496768322 /nfs/dbraw/zinc/76/83/22/496768322.db2.gz BSRXVCNTPAZQEA-RDTXWAMCSA-N 1 2 369.421 3.315 20 10 FGCDLO C[C@H]([NH2+]Cc1cccnc1OCC(F)(F)F)c1cc([N+](=O)[O-])ccc1O ZINC000273398517 496794463 /nfs/dbraw/zinc/79/44/63/496794463.db2.gz MQOUYGCLIKIAGH-JTQLQIEISA-N 1 2 371.315 3.487 20 10 FGCDLO COc1c(O)c(C[NH2+]Cc2nc(C(F)(F)F)cs2)ccc1[N+](=O)[O-] ZINC000278483326 497130541 /nfs/dbraw/zinc/13/05/41/497130541.db2.gz JUFVWYKYYMBFIG-UHFFFAOYSA-N 1 2 363.317 3.074 20 10 FGCDLO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000190961362 497662524 /nfs/dbraw/zinc/66/25/24/497662524.db2.gz LIQDWQNZFYQTRA-ZDUSSCGKSA-N 1 2 366.421 3.251 20 10 FGCDLO C[C@H]([NH2+]Cc1ccc(N2CCO[C@H](C)C2)nc1)c1ccc(F)c(F)c1O ZINC000191205340 497743745 /nfs/dbraw/zinc/74/37/45/497743745.db2.gz VYANVGXCCSWPJZ-OLZOCXBDSA-N 1 2 363.408 3.141 20 10 FGCDLO c1nnc([C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C2CCCCC2)[nH]1 ZINC000292084529 497870675 /nfs/dbraw/zinc/87/06/75/497870675.db2.gz ILCQEBFMJXJMPF-IBGZPJMESA-N 1 2 355.486 3.053 20 10 FGCDLO C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cnn(C)c1)c1ccc(F)c(F)c1[O-] ZINC000364790875 498144846 /nfs/dbraw/zinc/14/48/46/498144846.db2.gz NVGVMNVCCRUOAT-JCGVRSQUSA-N 1 2 364.440 3.138 20 10 FGCDLO C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1)c1ccc(F)c(F)c1[O-] ZINC000364790875 498144851 /nfs/dbraw/zinc/14/48/51/498144851.db2.gz NVGVMNVCCRUOAT-JCGVRSQUSA-N 1 2 364.440 3.138 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)CSc3ccncc3)CC2)cc1 ZINC000363201386 498700431 /nfs/dbraw/zinc/70/04/31/498700431.db2.gz AKXOBENLOPFRDK-UHFFFAOYSA-N 1 2 371.506 3.310 20 10 FGCDLO CC[C@H]([NH2+]CC1(C(N)=O)CCOCC1)c1cc(Cl)cc(Cl)c1O ZINC000287615221 498814576 /nfs/dbraw/zinc/81/45/76/498814576.db2.gz JMMLNSXAYJDJOG-ZDUSSCGKSA-N 1 2 361.269 3.022 20 10 FGCDLO CCc1ncc(NC(=O)N(C)C2CC[NH+](c3ccc(OC)cc3)CC2)cn1 ZINC000366432032 498924240 /nfs/dbraw/zinc/92/42/40/498924240.db2.gz AHXKNWKKAMHRCR-UHFFFAOYSA-N 1 2 369.469 3.180 20 10 FGCDLO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000299057962 498953283 /nfs/dbraw/zinc/95/32/83/498953283.db2.gz OKLKRKFYKSTWRC-UHFFFAOYSA-N 1 2 363.465 3.384 20 10 FGCDLO Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCc3cn[nH]c3C2)c1O ZINC000372497484 499134576 /nfs/dbraw/zinc/13/45/76/499134576.db2.gz QGVOAZOZNNAPDP-MFKMUULPSA-N 1 2 350.260 3.394 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)CCc3ccc(O)cc3)CC2)cc1 ZINC000370379720 499214933 /nfs/dbraw/zinc/21/49/33/499214933.db2.gz OAXKYAVYYMDWCR-UHFFFAOYSA-N 1 2 368.477 3.461 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(CN3CCCC3=O)CC2)c1O ZINC000371867083 499373340 /nfs/dbraw/zinc/37/33/40/499373340.db2.gz WJVSWPJIBUVTSZ-UHFFFAOYSA-N 1 2 364.873 3.083 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)c1O ZINC000819834698 606106980 /nfs/dbraw/zinc/10/69/80/606106980.db2.gz RUNAZFFUTXAUER-UHFFFAOYSA-N 1 2 371.828 3.060 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@@H+](C)Cc2cccc(-c3nn[nH]n3)c2)c1O ZINC000819834698 606106983 /nfs/dbraw/zinc/10/69/83/606106983.db2.gz RUNAZFFUTXAUER-UHFFFAOYSA-N 1 2 371.828 3.060 20 10 FGCDLO Cc1csc(N2CC[NH+](Cc3cc(Br)ccc3O)CC2)n1 ZINC000133806313 700841697 /nfs/dbraw/zinc/84/16/97/700841697.db2.gz ZTDSLYIJCCGZNB-UHFFFAOYSA-N 1 2 368.300 3.242 20 10 FGCDLO COc1cccc(C(=O)N2CC[NH+](Cc3cc(Cl)ccc3O)CC2)c1 ZINC000159206331 705215061 /nfs/dbraw/zinc/21/50/61/705215061.db2.gz GLUFMDIFFZTLJG-UHFFFAOYSA-N 1 2 360.841 3.012 20 10 FGCDLO COC(=O)C[N@H+](CCc1scnc1C)Cc1cc(Cl)ccc1O ZINC000172537065 705422212 /nfs/dbraw/zinc/42/22/12/705422212.db2.gz QPZZWCUAYCBWJO-UHFFFAOYSA-N 1 2 354.859 3.028 20 10 FGCDLO COC(=O)C[N@@H+](CCc1scnc1C)Cc1cc(Cl)ccc1O ZINC000172537065 705422214 /nfs/dbraw/zinc/42/22/14/705422214.db2.gz QPZZWCUAYCBWJO-UHFFFAOYSA-N 1 2 354.859 3.028 20 10 FGCDLO COC(=O)[C@H]1CCCCC[N@@H+]1Cc1cc(C)cc(Br)c1O ZINC000781920494 724612669 /nfs/dbraw/zinc/61/26/69/724612669.db2.gz LEYMVSMHPSDFNC-CQSZACIVSA-N 1 2 356.260 3.381 20 10 FGCDLO COC(=O)[C@H]1CCCCC[N@H+]1Cc1cc(C)cc(Br)c1O ZINC000781920494 724612672 /nfs/dbraw/zinc/61/26/72/724612672.db2.gz LEYMVSMHPSDFNC-CQSZACIVSA-N 1 2 356.260 3.381 20 10 FGCDLO CSC[C@](C)(O)C[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708195827 722412834 /nfs/dbraw/zinc/41/28/34/722412834.db2.gz CQPVKRKLBIWBNO-GFCCVEGCSA-N 1 2 354.697 3.012 20 10 FGCDLO C[C@H]1C[N@H+](Cc2c(O)cccc2Br)C[C@@](C)(C(F)F)O1 ZINC000707167323 722412242 /nfs/dbraw/zinc/41/22/42/722412242.db2.gz XPQXPVCTXRCYIU-XPTSAGLGSA-N 1 2 350.203 3.399 20 10 FGCDLO C[C@H]1C[N@@H+](Cc2c(O)cccc2Br)C[C@@](C)(C(F)F)O1 ZINC000707167323 722412244 /nfs/dbraw/zinc/41/22/44/722412244.db2.gz XPQXPVCTXRCYIU-XPTSAGLGSA-N 1 2 350.203 3.399 20 10 FGCDLO CCN(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1cc(Br)cc(Cl)c1O ZINC000788981739 725100611 /nfs/dbraw/zinc/10/06/11/725100611.db2.gz GBSRFQCSHWYFMX-RKDXNWHRSA-N 1 2 363.683 3.326 20 10 FGCDLO C[C@H]([NH2+][C@@H](CO)CC(F)(F)F)c1cc(Br)cc(F)c1O ZINC000756775540 722969902 /nfs/dbraw/zinc/96/99/02/722969902.db2.gz ITGTYGXYQSUPCW-POYBYMJQSA-N 1 2 360.145 3.258 20 10 FGCDLO CC[C@H]1C[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C[C@@]2(CCOC2)O1 ZINC000796550007 723643220 /nfs/dbraw/zinc/64/32/20/723643220.db2.gz ALWJLMSPSUUCNZ-MAUKXSAKSA-N 1 2 353.846 3.018 20 10 FGCDLO CC[C@H]1C[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C[C@@]2(CCOC2)O1 ZINC000796550007 723643222 /nfs/dbraw/zinc/64/32/22/723643222.db2.gz ALWJLMSPSUUCNZ-MAUKXSAKSA-N 1 2 353.846 3.018 20 10 FGCDLO CCN(CC)c1ccc(C[NH+]2CCN(Cc3cscn3)CC2)cc1F ZINC000769019175 723674505 /nfs/dbraw/zinc/67/45/05/723674505.db2.gz BXMWQCWGBSEQGV-UHFFFAOYSA-N 1 2 362.518 3.446 20 10 FGCDLO OC1CCN(c2ccc(C[NH2+]Cc3ncc(Cl)s3)cc2F)CC1 ZINC000769908968 723700125 /nfs/dbraw/zinc/70/01/25/723700125.db2.gz ONBWTIWBWKOYGD-UHFFFAOYSA-N 1 2 355.866 3.187 20 10 FGCDLO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)CCO1 ZINC000770355467 723711741 /nfs/dbraw/zinc/71/17/41/723711741.db2.gz XFVLIABKJUAZBY-LRDDRELGSA-N 1 2 370.877 3.160 20 10 FGCDLO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1C[N@@H+](Cc2c(O)cccc2Cl)CCO1 ZINC000770355467 723711742 /nfs/dbraw/zinc/71/17/42/723711742.db2.gz XFVLIABKJUAZBY-LRDDRELGSA-N 1 2 370.877 3.160 20 10 FGCDLO CCc1nnc([C@H](C)[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2Cl)[nH]1 ZINC000773136126 723777427 /nfs/dbraw/zinc/77/74/27/723777427.db2.gz FSMNAVRPNNIUDN-STQMWFEESA-N 1 2 363.893 3.269 20 10 FGCDLO C[C@@H]([NH2+]CC1([S@](C)=O)CCC1)c1cc(Br)c(F)cc1O ZINC000798004983 723897707 /nfs/dbraw/zinc/89/77/07/723897707.db2.gz REACCAMENGFBMZ-YBYGRFCBSA-N 1 2 364.280 3.246 20 10 FGCDLO COc1c(O)c(C[N@H+](C)Cc2ccc(Br)o2)ccc1[N+](=O)[O-] ZINC000774836068 723934397 /nfs/dbraw/zinc/93/43/97/723934397.db2.gz OZSBKPJDMHCZCD-UHFFFAOYSA-N 1 2 371.187 3.297 20 10 FGCDLO COc1c(O)c(C[N@@H+](C)Cc2ccc(Br)o2)ccc1[N+](=O)[O-] ZINC000774836068 723934399 /nfs/dbraw/zinc/93/43/99/723934399.db2.gz OZSBKPJDMHCZCD-UHFFFAOYSA-N 1 2 371.187 3.297 20 10 FGCDLO Oc1c(Br)cc(Br)cc1C[NH2+]C[C@H]1CCCO1 ZINC000775792519 724062381 /nfs/dbraw/zinc/06/23/81/724062381.db2.gz LRPIJZXUYJWPFU-SNVBAGLBSA-N 1 2 365.065 3.186 20 10 FGCDLO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]Cc2cc(Cl)cc(F)c2O)cc1 ZINC000775990581 724094114 /nfs/dbraw/zinc/09/41/14/724094114.db2.gz VPSAMXAKXSPPKS-GFCCVEGCSA-N 1 2 371.861 3.445 20 10 FGCDLO COc1cc(C)[nH+]c(/C=C2\SC(=S)N(c3ccc(OC)nc3)C2=O)c1 ZINC000776727335 724174615 /nfs/dbraw/zinc/17/46/15/724174615.db2.gz WGQHEWFBFVUQOT-ZSOIEALJSA-N 1 2 373.459 3.208 20 10 FGCDLO COc1cccc([C@H]2[C@@H](NC(=O)C3=CC(=O)CS3)CC[N@@H+]2C2CC2)c1 ZINC000778515238 724339203 /nfs/dbraw/zinc/33/92/03/724339203.db2.gz PSOCBTHIYIXNTP-WMZOPIPTSA-N 1 2 358.463 3.170 20 10 FGCDLO COc1cccc([C@H]2[C@@H](NC(=O)C3=CC(=O)CS3)CC[N@H+]2C2CC2)c1 ZINC000778515238 724339205 /nfs/dbraw/zinc/33/92/05/724339205.db2.gz PSOCBTHIYIXNTP-WMZOPIPTSA-N 1 2 358.463 3.170 20 10 FGCDLO COCC[N@H+](Cc1scnc1C)Cc1cc(F)cc(C(C)=O)c1O ZINC000785995803 724953740 /nfs/dbraw/zinc/95/37/40/724953740.db2.gz DFUNCADWKHMGMA-UHFFFAOYSA-N 1 2 352.431 3.147 20 10 FGCDLO COCC[N@@H+](Cc1scnc1C)Cc1cc(F)cc(C(C)=O)c1O ZINC000785995803 724953743 /nfs/dbraw/zinc/95/37/43/724953743.db2.gz DFUNCADWKHMGMA-UHFFFAOYSA-N 1 2 352.431 3.147 20 10 FGCDLO CC[C@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1cccc(Cl)c1O ZINC000806132925 725117163 /nfs/dbraw/zinc/11/71/63/725117163.db2.gz CQGPNYZMHYBUKQ-WMZOPIPTSA-N 1 2 370.946 3.294 20 10 FGCDLO C[NH+](C)[C@H](CNC(=O)NCc1cc(Cl)cc(Cl)c1O)c1ccco1 ZINC000806294361 725122939 /nfs/dbraw/zinc/12/29/39/725122939.db2.gz DVLYRBJAMKTSJB-CYBMUJFWSA-N 1 2 372.252 3.394 20 10 FGCDLO O=C(Cn1c[nH+]c2c1CCCC2)NCc1cc(Cl)cc(Cl)c1O ZINC000807837077 725171679 /nfs/dbraw/zinc/17/16/79/725171679.db2.gz ADVYFLIZVXXJJQ-UHFFFAOYSA-N 1 2 354.237 3.091 20 10 FGCDLO Oc1ccc2c(c1)OCC[N@@H+](Cc1cc(Br)ccc1O)C2 ZINC000809705635 725260754 /nfs/dbraw/zinc/26/07/54/725260754.db2.gz YJMJRBIEOIDPNN-UHFFFAOYSA-N 1 2 350.212 3.255 20 10 FGCDLO Oc1ccc2c(c1)OCC[N@H+](Cc1cc(Br)ccc1O)C2 ZINC000809705635 725260756 /nfs/dbraw/zinc/26/07/56/725260756.db2.gz YJMJRBIEOIDPNN-UHFFFAOYSA-N 1 2 350.212 3.255 20 10 FGCDLO C[N@H+](CCn1cc(Br)cn1)Cc1c(O)ccc(Cl)c1F ZINC000809792708 725269233 /nfs/dbraw/zinc/26/92/33/725269233.db2.gz DYPTVWPWBFFEDT-UHFFFAOYSA-N 1 2 362.630 3.276 20 10 FGCDLO C[N@@H+](CCn1cc(Br)cn1)Cc1c(O)ccc(Cl)c1F ZINC000809792708 725269235 /nfs/dbraw/zinc/26/92/35/725269235.db2.gz DYPTVWPWBFFEDT-UHFFFAOYSA-N 1 2 362.630 3.276 20 10 FGCDLO Cc1nnc(CC[NH2+][C@H](C)c2cc(Br)cc(F)c2O)s1 ZINC000810242461 725299240 /nfs/dbraw/zinc/29/92/40/725299240.db2.gz CWXYWTNWPSGSEO-SSDOTTSWSA-N 1 2 360.252 3.347 20 10 FGCDLO O=C(NC1CC1)OC[C@H]1CCCC[N@H+]1Cc1cc(Cl)cc(F)c1O ZINC000811510984 725371259 /nfs/dbraw/zinc/37/12/59/725371259.db2.gz BHZFFRIMOHYZOM-CQSZACIVSA-N 1 2 356.825 3.428 20 10 FGCDLO O=C(NC1CC1)OC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(F)c1O ZINC000811510984 725371260 /nfs/dbraw/zinc/37/12/60/725371260.db2.gz BHZFFRIMOHYZOM-CQSZACIVSA-N 1 2 356.825 3.428 20 10 FGCDLO COC(=O)[C@H](CC(C)C)[N@H+](C)Cc1cc(C)cc(Br)c1O ZINC000814177758 726945180 /nfs/dbraw/zinc/94/51/80/726945180.db2.gz ODUIRGDAVATBEC-AWEZNQCLSA-N 1 2 358.276 3.483 20 10 FGCDLO COC(=O)[C@H](CC(C)C)[N@@H+](C)Cc1cc(C)cc(Br)c1O ZINC000814177758 726945183 /nfs/dbraw/zinc/94/51/83/726945183.db2.gz ODUIRGDAVATBEC-AWEZNQCLSA-N 1 2 358.276 3.483 20 10 FGCDLO COc1ccc(OC)c(C[N@H+](CCO)Cc2cc(Cl)c(F)cc2O)c1 ZINC000816509443 727169633 /nfs/dbraw/zinc/16/96/33/727169633.db2.gz PYAXNLUEVWCFOY-UHFFFAOYSA-N 1 2 369.820 3.196 20 10 FGCDLO COc1ccc(OC)c(C[N@@H+](CCO)Cc2cc(Cl)c(F)cc2O)c1 ZINC000816509443 727169635 /nfs/dbraw/zinc/16/96/35/727169635.db2.gz PYAXNLUEVWCFOY-UHFFFAOYSA-N 1 2 369.820 3.196 20 10 FGCDLO Oc1cc(F)c(Cl)cc1C[N@@H+]1CCCN(c2ncccc2F)CC1 ZINC000816586850 727177956 /nfs/dbraw/zinc/17/79/56/727177956.db2.gz VUPLNCJMPFAINY-UHFFFAOYSA-N 1 2 353.800 3.431 20 10 FGCDLO Oc1cc(F)c(Cl)cc1C[N@H+]1CCCN(c2ncccc2F)CC1 ZINC000816586850 727177958 /nfs/dbraw/zinc/17/79/58/727177958.db2.gz VUPLNCJMPFAINY-UHFFFAOYSA-N 1 2 353.800 3.431 20 10 FGCDLO COc1ccc2c(c1)C[C@H](C(C)C)C[N@H+]2CC[C@@H]1CCS(=O)(=O)C1 ZINC000817297755 727238032 /nfs/dbraw/zinc/23/80/32/727238032.db2.gz AFTLRVBLTHUKNG-WBVHZDCISA-N 1 2 351.512 3.155 20 10 FGCDLO COc1ccc2c(c1)C[C@H](C(C)C)C[N@@H+]2CC[C@@H]1CCS(=O)(=O)C1 ZINC000817297755 727238034 /nfs/dbraw/zinc/23/80/34/727238034.db2.gz AFTLRVBLTHUKNG-WBVHZDCISA-N 1 2 351.512 3.155 20 10 FGCDLO C[C@@H]([NH2+]C[C@H]1CC[C@H](C(N)=O)CC1)c1cc(Br)cc(F)c1O ZINC000817585231 727268363 /nfs/dbraw/zinc/26/83/63/727268363.db2.gz CWUWYHHXGGMILM-GMTAPVOTSA-N 1 2 373.266 3.236 20 10 FGCDLO OCC1([C@H]([NH2+]Cc2cc(Cl)cc(F)c2O)C2CCOCC2)CCC1 ZINC000822525163 729190294 /nfs/dbraw/zinc/19/02/94/729190294.db2.gz AQLCVWRTCNAVFC-QGZVFWFLSA-N 1 2 357.853 3.232 20 10 FGCDLO COc1cccc(O)c1C[NH2+][C@H](CCNC(=O)OC(C)(C)C)C(F)F ZINC000824672994 729354218 /nfs/dbraw/zinc/35/42/18/729354218.db2.gz MIUKATSXSMTCPG-GFCCVEGCSA-N 1 2 360.401 3.039 20 10 FGCDLO CCOC(=O)[C@@]1(C)CCC[C@@H]1[NH2+]Cc1cccc(Br)c1O ZINC000827750260 729434148 /nfs/dbraw/zinc/43/41/48/729434148.db2.gz CCFRXNFGQRCSKZ-BBRMVZONSA-N 1 2 356.260 3.366 20 10 FGCDLO C[C@@H]([NH2+][C@@H](C)Cc1cnn(C)c1)c1cc(Br)c(F)cc1O ZINC000834896291 729844742 /nfs/dbraw/zinc/84/47/42/729844742.db2.gz JSXSYFGSWPQYDB-VHSXEESVSA-N 1 2 356.239 3.309 20 10 FGCDLO Cc1cnc(CC[NH2+][C@H](C)c2cc(Br)c(F)cc2O)cn1 ZINC000834909193 729845436 /nfs/dbraw/zinc/84/54/36/729845436.db2.gz PLMCOBZRGAFHSY-SNVBAGLBSA-N 1 2 354.223 3.286 20 10 FGCDLO CC(C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1O ZINC000840888853 730188335 /nfs/dbraw/zinc/18/83/35/730188335.db2.gz DGRWTMYLWAFCFP-IUCAKERBSA-N 1 2 363.683 3.372 20 10 FGCDLO C[C@H]([NH2+]Cc1nnc(C2CC2)s1)c1ccc(N2CCOCC2)c(F)c1 ZINC000840892153 730188687 /nfs/dbraw/zinc/18/86/87/730188687.db2.gz VXCSCSJCUOCGFB-LBPRGKRZSA-N 1 2 362.474 3.242 20 10 FGCDLO CC(C)(C)OC(=O)C1(C[NH2+]Cc2cc(Cl)cc(F)c2O)CCOCC1 ZINC000843422665 730619556 /nfs/dbraw/zinc/61/95/56/730619556.db2.gz PWBQGCYBXDFRRH-UHFFFAOYSA-N 1 2 373.852 3.413 20 10 FGCDLO CCN(Cc1cc(Br)ccc1O)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845805605 730897675 /nfs/dbraw/zinc/89/76/75/730897675.db2.gz FKTDIJRHPMDTOU-LBPRGKRZSA-N 1 2 366.259 3.351 20 10 FGCDLO C[C@@H]([NH2+]CCO[C@H]1CC1(F)F)c1cc(Br)cc(F)c1O ZINC000850521394 731368813 /nfs/dbraw/zinc/36/88/13/731368813.db2.gz UHGMGLSHKCBBNO-HQJQHLMTSA-N 1 2 354.166 3.369 20 10 FGCDLO CC[N@H+](Cc1onc(C)c1[N+](=O)[O-])Cc1cc(Br)ccc1O ZINC000851791962 731498688 /nfs/dbraw/zinc/49/86/88/731498688.db2.gz GAKHPCZNLLHVCP-UHFFFAOYSA-N 1 2 370.203 3.381 20 10 FGCDLO CN(C)c1ccc(C[N@H+](CCS(=O)(=O)C2CCCCC2)C2CC2)cc1 ZINC000856722395 732044783 /nfs/dbraw/zinc/04/47/83/732044783.db2.gz XLUZYSLAKCZDTD-UHFFFAOYSA-N 1 2 364.555 3.465 20 10 FGCDLO CN(C)c1ccc(C[N@@H+](CCS(=O)(=O)C2CCCCC2)C2CC2)cc1 ZINC000856722395 732044787 /nfs/dbraw/zinc/04/47/87/732044787.db2.gz XLUZYSLAKCZDTD-UHFFFAOYSA-N 1 2 364.555 3.465 20 10 FGCDLO C[C@@H]([NH2+]CCN(C)CC(F)F)c1cc(Br)cc(F)c1O ZINC000858597259 732229934 /nfs/dbraw/zinc/22/99/34/732229934.db2.gz NHHRIZJGEIMEFL-MRVPVSSYSA-N 1 2 355.198 3.141 20 10 FGCDLO COCC[N@H+](Cc1ccccn1)Cc1c(O)cccc1Br ZINC000862366970 732817411 /nfs/dbraw/zinc/81/74/11/732817411.db2.gz QOJGZZKZISTRLC-UHFFFAOYSA-N 1 2 351.244 3.198 20 10 FGCDLO COCC[N@@H+](Cc1ccccn1)Cc1c(O)cccc1Br ZINC000862366970 732817414 /nfs/dbraw/zinc/81/74/14/732817414.db2.gz QOJGZZKZISTRLC-UHFFFAOYSA-N 1 2 351.244 3.198 20 10 FGCDLO Cc1cc(Br)c(O)c(C[NH2+]C(C)(C)c2nc(C)cc(=O)[nH]2)c1 ZINC000862432596 732834372 /nfs/dbraw/zinc/83/43/72/732834372.db2.gz JYCQKRZOIYWGFI-UHFFFAOYSA-N 1 2 366.259 3.292 20 10 FGCDLO C[C@@H]1C[C@@]2(CC[C@@H](C[NH2+]Cc3cc(Br)cc(F)c3O)O2)CO1 ZINC000886328712 739244483 /nfs/dbraw/zinc/24/44/83/739244483.db2.gz PGIBMYWSPQKXNL-HICWGWBUSA-N 1 2 374.250 3.110 20 10 FGCDLO Cc1ncc2c(n1)CC[C@@H]([NH2+]Cc1cc(Br)cc(F)c1O)C2 ZINC000882887542 737501041 /nfs/dbraw/zinc/50/10/41/737501041.db2.gz XEYXZPHCRNTOQL-CYBMUJFWSA-N 1 2 366.234 3.039 20 10 FGCDLO CCCC(=O)NC1CC[NH+](Cc2cc(Br)cc(F)c2O)CC1 ZINC000893994259 742223874 /nfs/dbraw/zinc/22/38/74/742223874.db2.gz CIPNXILJMOZTDR-UHFFFAOYSA-N 1 2 373.266 3.175 20 10 FGCDLO COC(=O)c1c(C[NH2+]Cc2nc(C)c(C)s2)c2cc(F)ccc2n1C ZINC000894298177 742264315 /nfs/dbraw/zinc/26/43/15/742264315.db2.gz IBNXGJBDCUUYTL-UHFFFAOYSA-N 1 2 361.442 3.467 20 10 FGCDLO OCCOC1(C[NH2+]Cc2cccc(Cl)c2O)CCC(C(F)F)CC1 ZINC000897539424 742687226 /nfs/dbraw/zinc/68/72/26/742687226.db2.gz BSQAZERPMFQAGZ-UHFFFAOYSA-N 1 2 363.832 3.338 20 10 FGCDLO Cn1ncc(C(=O)OC(C)(C)C)c1C[NH2+]Cc1cccc(Cl)c1O ZINC000898215001 742759375 /nfs/dbraw/zinc/75/93/75/742759375.db2.gz IRSOOXSKEYKHTO-UHFFFAOYSA-N 1 2 351.834 3.024 20 10 FGCDLO C[C@@H]([NH2+]CCO[C@H]1CCOC1)c1cc(Br)cc(Cl)c1O ZINC000927081885 759887670 /nfs/dbraw/zinc/88/76/70/759887670.db2.gz YBHLPQMIPZIXBQ-KOLCDFICSA-N 1 2 364.667 3.264 20 10 FGCDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1ccc(C)c(O)c1O ZINC000179526963 495628802 /nfs/dbraw/zinc/62/88/02/495628802.db2.gz AEXOAHNGQBLANU-UHFFFAOYSA-N 1 2 369.465 3.180 20 10 FGCDLO COc1cc(O)c(C[N@@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)cc1OC ZINC000160116739 495887573 /nfs/dbraw/zinc/88/75/73/495887573.db2.gz ASTOGASFGRGLAU-IBGZPJMESA-N 1 2 365.376 3.261 20 10 FGCDLO COc1cc(O)c(C[N@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)cc1OC ZINC000160116739 495887576 /nfs/dbraw/zinc/88/75/76/495887576.db2.gz ASTOGASFGRGLAU-IBGZPJMESA-N 1 2 365.376 3.261 20 10 FGCDLO COc1cc(OC)cc([C@@H]([NH2+]Cc2cc(F)ccc2O)c2nccn2C)c1 ZINC000180913275 496197356 /nfs/dbraw/zinc/19/73/56/496197356.db2.gz OOCYKKOYMWMAMI-LJQANCHMSA-N 1 2 371.412 3.161 20 10 FGCDLO CC(=O)Nc1cccc(OCC[NH2+][C@@H](C)c2ccc(F)c(F)c2O)c1 ZINC000187773584 496566118 /nfs/dbraw/zinc/56/61/18/496566118.db2.gz LQUICLUOQGLCBW-NSHDSACASA-N 1 2 350.365 3.358 20 10 FGCDLO COc1ccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2O)c(OC)c1OC ZINC000273426695 496803153 /nfs/dbraw/zinc/80/31/53/496803153.db2.gz ULFMURKYRPNLHD-NSHDSACASA-N 1 2 362.382 3.177 20 10 FGCDLO COc1c(O)c(C[NH2+][C@@H](c2nc(C3CC3)no2)C(C)C)ccc1[N+](=O)[O-] ZINC000278524580 497142751 /nfs/dbraw/zinc/14/27/51/497142751.db2.gz SXNHPMBHXSYGQM-CYBMUJFWSA-N 1 2 362.386 3.056 20 10 FGCDLO CCn1nccc1[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000278556480 497153380 /nfs/dbraw/zinc/15/33/80/497153380.db2.gz WFCKZDHYIGWSNG-OAVHHTNSSA-N 1 2 351.397 3.315 20 10 FGCDLO COc1c(O)c(C[NH2+]Cc2nc(C(C)(C)C)cs2)ccc1[N+](=O)[O-] ZINC000278921062 497268307 /nfs/dbraw/zinc/26/83/07/497268307.db2.gz UTRCDVJJAUKALA-UHFFFAOYSA-N 1 2 351.428 3.353 20 10 FGCDLO C[C@H]([NH2+][C@@H](CN1CCOCC1)c1ccccc1)c1ccc(F)c(F)c1O ZINC000191189283 497737700 /nfs/dbraw/zinc/73/77/00/497737700.db2.gz ZZNXFWMJOSWQHT-KSSFIOAISA-N 1 2 362.420 3.395 20 10 FGCDLO C[C@@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)c1ccc(F)c(F)c1O ZINC000191197816 497740615 /nfs/dbraw/zinc/74/06/15/497740615.db2.gz MYVYHNZYSDGHJG-LLVKDONJSA-N 1 2 350.365 3.219 20 10 FGCDLO O=[N+]([O-])c1ccc(O)c(C[NH2+][C@H](CO)c2ccccc2OC(F)(F)F)c1 ZINC000280394695 497740846 /nfs/dbraw/zinc/74/08/46/497740846.db2.gz XFKKVVVDYUCRHQ-CYBMUJFWSA-N 1 2 372.299 3.022 20 10 FGCDLO Cc1cc(C(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)c(C)n1-c1ccccn1 ZINC000295996593 497884095 /nfs/dbraw/zinc/88/40/95/497884095.db2.gz VGLCVQPYNYKSMU-SFHVURJKSA-N 1 2 363.465 3.446 20 10 FGCDLO c1cc(N2CCSCC2)ccc1CNc1cc(NCC2CC2)[nH+]cn1 ZINC000301295325 498043444 /nfs/dbraw/zinc/04/34/44/498043444.db2.gz RLFHSMRIGKEPMI-UHFFFAOYSA-N 1 2 355.511 3.464 20 10 FGCDLO c1cc(N2CCSCC2)ccc1CNc1cc(NCC2CC2)nc[nH+]1 ZINC000301295325 498043453 /nfs/dbraw/zinc/04/34/53/498043453.db2.gz RLFHSMRIGKEPMI-UHFFFAOYSA-N 1 2 355.511 3.464 20 10 FGCDLO CC[C@@H]([NH2+]CC1(OCCOC)CCOCC1)c1cccc(Cl)c1O ZINC000296615620 498122266 /nfs/dbraw/zinc/12/22/66/498122266.db2.gz WMUWOPZPJIXUAU-MRXNPFEDSA-N 1 2 357.878 3.299 20 10 FGCDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCOc3cc(N(C)C)ccc31)C2 ZINC000364772222 498136015 /nfs/dbraw/zinc/13/60/15/498136015.db2.gz RRWRRISSVPTGPD-AWEZNQCLSA-N 1 2 368.481 3.130 20 10 FGCDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCOc3cc(N(C)C)ccc31)CC2 ZINC000364772222 498136019 /nfs/dbraw/zinc/13/60/19/498136019.db2.gz RRWRRISSVPTGPD-AWEZNQCLSA-N 1 2 368.481 3.130 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c1O ZINC000286711053 498484035 /nfs/dbraw/zinc/48/40/35/498484035.db2.gz WTAOSJYHLHFTBU-RISCZKNCSA-N 1 2 365.779 3.241 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c1O ZINC000286711053 498484041 /nfs/dbraw/zinc/48/40/41/498484041.db2.gz WTAOSJYHLHFTBU-RISCZKNCSA-N 1 2 365.779 3.241 20 10 FGCDLO CN(Cc1ccccc1O)C(=O)NCc1cccc(-c2[nH+]ccn2C)c1 ZINC000367405269 499195193 /nfs/dbraw/zinc/19/51/93/499195193.db2.gz SWFCSUCKAONADY-UHFFFAOYSA-N 1 2 350.422 3.134 20 10 FGCDLO CC[C@H]([NH2+][C@H]1CCCN(Cc2noc(C)n2)C1)c1cccc(Cl)c1O ZINC000367895609 499242690 /nfs/dbraw/zinc/24/26/90/499242690.db2.gz JVCMIMXHDANERL-BBRMVZONSA-N 1 2 364.877 3.442 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)C[C@H]3CCC(=O)[C@H]3C)CC2)cc1 ZINC000373476244 499472119 /nfs/dbraw/zinc/47/21/19/499472119.db2.gz VGBGXOQRAVLIBM-JKSUJKDBSA-N 1 2 358.482 3.128 20 10 FGCDLO Oc1c(Cl)cccc1C[NH2+][C@H]1CCCN(Cc2noc(C3CC3)n2)C1 ZINC000378460755 499519891 /nfs/dbraw/zinc/51/98/91/499519891.db2.gz XFKVLOIGTDQJBQ-AWEZNQCLSA-N 1 2 362.861 3.060 20 10 FGCDLO COC(=O)[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1c(C)c2ccccc2n1C ZINC000481565735 501816277 /nfs/dbraw/zinc/81/62/77/501816277.db2.gz QLJSVJGWCMDPCC-GOSISDBHSA-N 1 2 354.425 3.500 20 10 FGCDLO Oc1cc(Br)ccc1C[N@@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000529668818 504755845 /nfs/dbraw/zinc/75/58/45/504755845.db2.gz OJHWQZRPEYVBDZ-UHFFFAOYSA-N 1 2 360.255 3.380 20 10 FGCDLO Oc1cc(Br)ccc1C[N@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000529668818 504755847 /nfs/dbraw/zinc/75/58/47/504755847.db2.gz OJHWQZRPEYVBDZ-UHFFFAOYSA-N 1 2 360.255 3.380 20 10 FGCDLO Oc1ccc(Cl)cc1C[N@H+]1CCOC[C@@H]1C[C@H](O)c1cccs1 ZINC000091920909 700428487 /nfs/dbraw/zinc/42/84/87/700428487.db2.gz UNPIOSLWHJSJAW-HOCLYGCPSA-N 1 2 353.871 3.432 20 10 FGCDLO Oc1ccc(Cl)cc1C[N@@H+]1CCOC[C@@H]1C[C@H](O)c1cccs1 ZINC000091920909 700428489 /nfs/dbraw/zinc/42/84/89/700428489.db2.gz UNPIOSLWHJSJAW-HOCLYGCPSA-N 1 2 353.871 3.432 20 10 FGCDLO CC(=O)c1cc(F)cc(C[NH+]2CCN(c3ccc(Cl)cn3)CC2)c1O ZINC000177269131 705615165 /nfs/dbraw/zinc/61/51/65/705615165.db2.gz BMABOSRRLKNDPI-UHFFFAOYSA-N 1 2 363.820 3.105 20 10 FGCDLO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]Cc1cccc(Br)c1O ZINC000779431876 724413278 /nfs/dbraw/zinc/41/32/78/724413278.db2.gz GSPDHSXRUFYXJJ-MLGOLLRUSA-N 1 2 356.260 3.366 20 10 FGCDLO O=C(NCc1cc(Br)ccc1O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000804736408 724547414 /nfs/dbraw/zinc/54/74/14/724547414.db2.gz RGXWVQWGTXVAOE-UHFFFAOYSA-N 1 2 372.222 3.270 20 10 FGCDLO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3cc(C)cc(Br)c3O)[C@@H]2C1 ZINC000781913171 724611781 /nfs/dbraw/zinc/61/17/81/724611781.db2.gz ZWQRHYSSXGNPKK-FVQBIDKESA-N 1 2 370.287 3.231 20 10 FGCDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3cc(C)cc(Br)c3O)[C@@H]2C1 ZINC000781913171 724611783 /nfs/dbraw/zinc/61/17/83/724611783.db2.gz ZWQRHYSSXGNPKK-FVQBIDKESA-N 1 2 370.287 3.231 20 10 FGCDLO OCCNc1nc(NCCCSc2nccs2)[nH+]c2ccccc21 ZINC000746461162 722603470 /nfs/dbraw/zinc/60/34/70/722603470.db2.gz SKKDVHGROQUGAQ-UHFFFAOYSA-N 1 2 361.496 3.085 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)c1O ZINC000750045698 722752910 /nfs/dbraw/zinc/75/29/10/722752910.db2.gz VMHHUIRRJBGRSN-GXTWGEPZSA-N 1 2 351.752 3.136 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)c1O ZINC000750045698 722752911 /nfs/dbraw/zinc/75/29/11/722752911.db2.gz VMHHUIRRJBGRSN-GXTWGEPZSA-N 1 2 351.752 3.136 20 10 FGCDLO C[C@H]([NH2+][C@@H](C(N)=O)c1ccccc1)c1cc(Br)cc(F)c1O ZINC000756379763 722963593 /nfs/dbraw/zinc/96/35/93/722963593.db2.gz BMRJFMFNVASODH-LKFCYVNXSA-N 1 2 367.218 3.171 20 10 FGCDLO CNC(=O)C1CCC([NH2+][C@@H](C)c2cc(Br)c(F)cc2O)CC1 ZINC000756489973 722965504 /nfs/dbraw/zinc/96/55/04/722965504.db2.gz RHEBCAMQXABQGS-WHXUTIOJSA-N 1 2 373.266 3.249 20 10 FGCDLO C[C@@H]([NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1)c1cc(F)cc(F)c1O ZINC000756495495 722965635 /nfs/dbraw/zinc/96/56/35/722965635.db2.gz RSBMGRHQARAQBF-WDEREUQCSA-N 1 2 370.421 3.454 20 10 FGCDLO C[C@H]([NH2+][C@H]1CN(C2CC2)C[C@H]1C)c1cc(Br)c(F)cc1O ZINC000756648163 722968208 /nfs/dbraw/zinc/96/82/08/722968208.db2.gz UOCVIGOKEDZQJW-FTGAXOIBSA-N 1 2 357.267 3.427 20 10 FGCDLO C[C@H]([NH2+]C[C@H](CO)Cc1ccco1)c1cc(Br)c(F)cc1O ZINC000756659321 722968381 /nfs/dbraw/zinc/96/83/81/722968381.db2.gz DFDLIEHQDRRCGP-WDEREUQCSA-N 1 2 372.234 3.389 20 10 FGCDLO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2Cc2c(O)ccc(Cl)c2F)C[C@H](C)O1 ZINC000792167326 723317250 /nfs/dbraw/zinc/31/72/50/723317250.db2.gz NFPFASKWZZIUOJ-MJBXVCDLSA-N 1 2 356.869 3.258 20 10 FGCDLO C[C@@H]1CN(C[C@@H]2CCC[N@H+]2Cc2c(O)ccc(Cl)c2F)C[C@H](C)O1 ZINC000792167326 723317254 /nfs/dbraw/zinc/31/72/54/723317254.db2.gz NFPFASKWZZIUOJ-MJBXVCDLSA-N 1 2 356.869 3.258 20 10 FGCDLO COc1cccc(O)c1C[NH+]1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000768236628 723651479 /nfs/dbraw/zinc/65/14/79/723651479.db2.gz HWTWSLJSCJTOCH-UHFFFAOYSA-N 1 2 360.841 3.012 20 10 FGCDLO CC[C@@H]1C[N@H+](Cc2cccc(Br)c2O)[C@H](CC)CN1C(C)=O ZINC000769499206 723687504 /nfs/dbraw/zinc/68/75/04/723687504.db2.gz OSKRZCMINRZAII-HUUCEWRRSA-N 1 2 369.303 3.376 20 10 FGCDLO CC[C@@H]1C[N@@H+](Cc2cccc(Br)c2O)[C@H](CC)CN1C(C)=O ZINC000769499206 723687505 /nfs/dbraw/zinc/68/75/05/723687505.db2.gz OSKRZCMINRZAII-HUUCEWRRSA-N 1 2 369.303 3.376 20 10 FGCDLO COc1c(O)c(C[N@@H+]2CCC(C)=C(Br)C2)ccc1[N+](=O)[O-] ZINC000797605715 723841488 /nfs/dbraw/zinc/84/14/88/723841488.db2.gz VNUUCPJIXXDWCI-UHFFFAOYSA-N 1 2 357.204 3.184 20 10 FGCDLO COc1c(O)c(C[N@H+]2CCC(C)=C(Br)C2)ccc1[N+](=O)[O-] ZINC000797605715 723841493 /nfs/dbraw/zinc/84/14/93/723841493.db2.gz VNUUCPJIXXDWCI-UHFFFAOYSA-N 1 2 357.204 3.184 20 10 FGCDLO OC[C@H]1CCN(Cc2ccccc2)C[C@H]1[NH2+]Cc1cccc(Cl)c1O ZINC000809764718 725266231 /nfs/dbraw/zinc/26/62/31/725266231.db2.gz HDYUPVVMUNJHDD-IEBWSBKVSA-N 1 2 360.885 3.018 20 10 FGCDLO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C(F)C(F)(F)F ZINC000810631904 725318755 /nfs/dbraw/zinc/31/87/55/725318755.db2.gz PCTLLYIBFPEZTO-WCQYABFASA-N 1 2 368.758 3.027 20 10 FGCDLO O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C(F)C(F)(F)F ZINC000810631904 725318758 /nfs/dbraw/zinc/31/87/58/725318758.db2.gz PCTLLYIBFPEZTO-WCQYABFASA-N 1 2 368.758 3.027 20 10 FGCDLO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ncc(Br)cn1 ZINC000814302008 726954595 /nfs/dbraw/zinc/95/45/95/726954595.db2.gz MPIIMUHBHXKNAC-JTQLQIEISA-N 1 2 353.239 3.295 20 10 FGCDLO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816608343 727180162 /nfs/dbraw/zinc/18/01/62/727180162.db2.gz WWVNFNCONPWFFT-CYBMUJFWSA-N 1 2 355.715 3.112 20 10 FGCDLO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816608343 727180163 /nfs/dbraw/zinc/18/01/63/727180163.db2.gz WWVNFNCONPWFFT-CYBMUJFWSA-N 1 2 355.715 3.112 20 10 FGCDLO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816608344 727180213 /nfs/dbraw/zinc/18/02/13/727180213.db2.gz WWVNFNCONPWFFT-ZDUSSCGKSA-N 1 2 355.715 3.112 20 10 FGCDLO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816608344 727180215 /nfs/dbraw/zinc/18/02/15/727180215.db2.gz WWVNFNCONPWFFT-ZDUSSCGKSA-N 1 2 355.715 3.112 20 10 FGCDLO COc1ccc2c(c1)C[C@H](C(C)C)C[N@H+]2CC1CCS(=O)(=O)CC1 ZINC000817298833 727238381 /nfs/dbraw/zinc/23/83/81/727238381.db2.gz PVMPVVKLCNXKBR-KRWDZBQOSA-N 1 2 351.512 3.155 20 10 FGCDLO COc1ccc2c(c1)C[C@H](C(C)C)C[N@@H+]2CC1CCS(=O)(=O)CC1 ZINC000817298833 727238383 /nfs/dbraw/zinc/23/83/83/727238383.db2.gz PVMPVVKLCNXKBR-KRWDZBQOSA-N 1 2 351.512 3.155 20 10 FGCDLO CCCN1C[C@@H](C[NH2+][C@@H](C)c2cc(Br)cc(F)c2O)CC1=O ZINC000817587951 727268549 /nfs/dbraw/zinc/26/85/49/727268549.db2.gz ALPQAWYWPAMQCS-WDEREUQCSA-N 1 2 373.266 3.203 20 10 FGCDLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2cccc(Br)c2O)s1 ZINC000818232336 727302762 /nfs/dbraw/zinc/30/27/62/727302762.db2.gz ZXNGDYKHKCDJSI-MRVPVSSYSA-N 1 2 371.256 3.249 20 10 FGCDLO CCn1nc(C)c(C[NH2+][C@H](C)c2cc(Br)c(F)cc2O)n1 ZINC000818345356 727308631 /nfs/dbraw/zinc/30/86/31/727308631.db2.gz LPENFJWXKCOSBD-MRVPVSSYSA-N 1 2 357.227 3.064 20 10 FGCDLO OCC1([C@@H]([NH2+]Cc2cc(Cl)cc(F)c2O)C2CCOCC2)CCC1 ZINC000822525162 729190418 /nfs/dbraw/zinc/19/04/18/729190418.db2.gz AQLCVWRTCNAVFC-KRWDZBQOSA-N 1 2 357.853 3.232 20 10 FGCDLO Cc1cc(Br)c(O)c(C[NH+]2CC(CO)(c3ccccc3)C2)c1 ZINC000840970972 730199021 /nfs/dbraw/zinc/19/90/21/730199021.db2.gz YQPRXYPWZGGBGX-UHFFFAOYSA-N 1 2 362.267 3.209 20 10 FGCDLO COc1cc(O)c(C[N@H+](CC(=O)OC(C)(C)C)C2CCC2)cc1OC ZINC000848927997 731222198 /nfs/dbraw/zinc/22/21/98/731222198.db2.gz SVHKMTUDMZVGDJ-UHFFFAOYSA-N 1 2 351.443 3.106 20 10 FGCDLO COc1cc(O)c(C[N@@H+](CC(=O)OC(C)(C)C)C2CCC2)cc1OC ZINC000848927997 731222199 /nfs/dbraw/zinc/22/21/99/731222199.db2.gz SVHKMTUDMZVGDJ-UHFFFAOYSA-N 1 2 351.443 3.106 20 10 FGCDLO C[C@@](CO)([NH2+]Cc1c(O)ccc(Cl)c1F)c1cccc([N+](=O)[O-])c1 ZINC000865705379 733254856 /nfs/dbraw/zinc/25/48/56/733254856.db2.gz POMCLVCBCGWMDT-INIZCTEOSA-N 1 2 354.765 3.090 20 10 FGCDLO Oc1c(F)cc(Br)cc1C[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000883051112 737516051 /nfs/dbraw/zinc/51/60/51/737516051.db2.gz OCDSWOVFUMLIEO-ZDUSSCGKSA-N 1 2 374.250 3.112 20 10 FGCDLO CSCc1n[nH]c(C[NH2+][C@@H](C)c2cc(Br)cc(C)c2O)n1 ZINC000886757452 739292640 /nfs/dbraw/zinc/29/26/40/739292640.db2.gz HRXJMJVCWWTFBZ-VIFPVBQESA-N 1 2 371.304 3.295 20 10 FGCDLO CCOC(=O)C1(C(F)(F)F)CC[NH+](Cc2cc(F)cc(F)c2O)CC1 ZINC000896962621 742622715 /nfs/dbraw/zinc/62/27/15/742622715.db2.gz GZTOJKSUQGELDM-UHFFFAOYSA-N 1 2 367.314 3.378 20 10 FGCDLO C[N@H+](Cc1cc2c(cc1O)OCO2)[C@@H](c1ccc(F)cc1)c1ncccn1 ZINC000066859227 494427563 /nfs/dbraw/zinc/42/75/63/494427563.db2.gz ACYMOSHRPULLMU-IBGZPJMESA-N 1 2 367.380 3.271 20 10 FGCDLO C[N@@H+](Cc1cc2c(cc1O)OCO2)[C@@H](c1ccc(F)cc1)c1ncccn1 ZINC000066859227 494427567 /nfs/dbraw/zinc/42/75/67/494427567.db2.gz ACYMOSHRPULLMU-IBGZPJMESA-N 1 2 367.380 3.271 20 10 FGCDLO C[C@@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1cc(Br)cc(F)c1O ZINC000186115359 495861103 /nfs/dbraw/zinc/86/11/03/495861103.db2.gz NWKACFJPRJFUTK-KCJUWKMLSA-N 1 2 354.223 3.225 20 10 FGCDLO COc1cc(Cl)cc(C[N@H+](C)Cc2nccn2CC(F)(F)F)c1O ZINC000273763290 496899172 /nfs/dbraw/zinc/89/91/72/496899172.db2.gz PKVOCIPIBUFOBA-UHFFFAOYSA-N 1 2 363.767 3.445 20 10 FGCDLO COc1cc(Cl)cc(C[N@@H+](C)Cc2nccn2CC(F)(F)F)c1O ZINC000273763290 496899176 /nfs/dbraw/zinc/89/91/76/496899176.db2.gz PKVOCIPIBUFOBA-UHFFFAOYSA-N 1 2 363.767 3.445 20 10 FGCDLO COc1c(O)c(C[N@@H+](Cc2ccco2)C[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000278168620 497026018 /nfs/dbraw/zinc/02/60/18/497026018.db2.gz FQNSHBZKZYWUQD-HNNXBMFYSA-N 1 2 362.382 3.083 20 10 FGCDLO COc1c(O)c(C[N@H+](Cc2ccco2)C[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000278168620 497026026 /nfs/dbraw/zinc/02/60/26/497026026.db2.gz FQNSHBZKZYWUQD-HNNXBMFYSA-N 1 2 362.382 3.083 20 10 FGCDLO COc1c(O)c(C[N@@H+](Cc2ccco2)C[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000278168623 497026436 /nfs/dbraw/zinc/02/64/36/497026436.db2.gz FQNSHBZKZYWUQD-OAHLLOKOSA-N 1 2 362.382 3.083 20 10 FGCDLO COc1c(O)c(C[N@H+](Cc2ccco2)C[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000278168623 497026441 /nfs/dbraw/zinc/02/64/41/497026441.db2.gz FQNSHBZKZYWUQD-OAHLLOKOSA-N 1 2 362.382 3.083 20 10 FGCDLO OC[C@@H](C[C@@H](O)c1ccccc1)[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000269956831 497032204 /nfs/dbraw/zinc/03/22/04/497032204.db2.gz TWQPMGVORUZBCI-GDBMZVCRSA-N 1 2 356.249 3.273 20 10 FGCDLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000192273819 497057898 /nfs/dbraw/zinc/05/78/98/497057898.db2.gz UQXFQZOJGMPTLH-UHFFFAOYSA-N 1 2 357.502 3.133 20 10 FGCDLO Cc1nc([C@@H]2CCC[N@H+]2CC(=O)N(C)Cc2ccc(N(C)C)cc2)cs1 ZINC000189769176 497238575 /nfs/dbraw/zinc/23/85/75/497238575.db2.gz JGVREKVSFMVMNV-IBGZPJMESA-N 1 2 372.538 3.313 20 10 FGCDLO Cc1nc([C@@H]2CCC[N@@H+]2CC(=O)N(C)Cc2ccc(N(C)C)cc2)cs1 ZINC000189769176 497238582 /nfs/dbraw/zinc/23/85/82/497238582.db2.gz JGVREKVSFMVMNV-IBGZPJMESA-N 1 2 372.538 3.313 20 10 FGCDLO C[C@@H]([NH2+]CCCCO)c1cc(Br)cc(Br)c1O ZINC000194212276 497603391 /nfs/dbraw/zinc/60/33/91/497603391.db2.gz ZCALHLKSAKZAJG-MRVPVSSYSA-N 1 2 367.081 3.340 20 10 FGCDLO CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(F)c(F)c2O)s1 ZINC000280291789 497710623 /nfs/dbraw/zinc/71/06/23/497710623.db2.gz ZFTOWTHLXDNJHF-VIFPVBQESA-N 1 2 361.435 3.376 20 10 FGCDLO Oc1cc2c(cc1C[N@@H+]1CCCC[C@@H]1c1nnc([C@H]3CCCO3)o1)OCO2 ZINC000288554977 497830611 /nfs/dbraw/zinc/83/06/11/497830611.db2.gz IZUOGLSEHLUUKW-UKRRQHHQSA-N 1 2 373.409 3.083 20 10 FGCDLO Oc1cc2c(cc1C[N@H+]1CCCC[C@@H]1c1nnc([C@H]3CCCO3)o1)OCO2 ZINC000288554977 497830621 /nfs/dbraw/zinc/83/06/21/497830621.db2.gz IZUOGLSEHLUUKW-UKRRQHHQSA-N 1 2 373.409 3.083 20 10 FGCDLO Oc1ccccc1C[N@@H+](Cc1ncnn1-c1ccccc1)C[C@H]1CCCO1 ZINC000281871353 498299962 /nfs/dbraw/zinc/29/99/62/498299962.db2.gz CGYFGTOYRKUXHZ-LJQANCHMSA-N 1 2 364.449 3.154 20 10 FGCDLO Oc1ccccc1C[N@H+](Cc1ncnn1-c1ccccc1)C[C@H]1CCCO1 ZINC000281871353 498299966 /nfs/dbraw/zinc/29/99/66/498299966.db2.gz CGYFGTOYRKUXHZ-LJQANCHMSA-N 1 2 364.449 3.154 20 10 FGCDLO C[C@@H]([NH2+][C@@H](C(N)=O)c1ccccn1)c1ccc(N2CCCCCC2)cc1 ZINC000297417840 498442819 /nfs/dbraw/zinc/44/28/19/498442819.db2.gz UMAMSGRXXRWWRC-OXQOHEQNSA-N 1 2 352.482 3.339 20 10 FGCDLO COc1cc(Cl)cc(C[NH2+][C@H](C)c2noc(COC(C)C)n2)c1O ZINC000290842788 498698482 /nfs/dbraw/zinc/69/84/82/498698482.db2.gz IKMADBSFASFMNT-SNVBAGLBSA-N 1 2 355.822 3.213 20 10 FGCDLO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1O)c1ccc(N2CCCNC2=O)cc1 ZINC000291098951 498794230 /nfs/dbraw/zinc/79/42/30/498794230.db2.gz QWQGDSUYWTYQMM-ZDUSSCGKSA-N 1 2 370.409 3.071 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000363631018 498914694 /nfs/dbraw/zinc/91/46/94/498914694.db2.gz DRTHLJOWWWORTN-UHFFFAOYSA-N 1 2 369.421 3.344 20 10 FGCDLO CCCOc1ccc(C[N@@H+]2CCO[C@@H](c3nnc(C(C)C)o3)C2)c(O)c1 ZINC000373495909 499473211 /nfs/dbraw/zinc/47/32/11/499473211.db2.gz NZVDTVQBZSXREF-QGZVFWFLSA-N 1 2 361.442 3.261 20 10 FGCDLO CCCOc1ccc(C[N@H+]2CCO[C@@H](c3nnc(C(C)C)o3)C2)c(O)c1 ZINC000373495909 499473212 /nfs/dbraw/zinc/47/32/12/499473212.db2.gz NZVDTVQBZSXREF-QGZVFWFLSA-N 1 2 361.442 3.261 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)[C@H](C)C3CCOCC3)CC2)cc1 ZINC000378290225 499498570 /nfs/dbraw/zinc/49/85/70/499498570.db2.gz ZWFLIZRFXQHRFF-MRXNPFEDSA-N 1 2 360.498 3.185 20 10 FGCDLO COc1c(O)c(C[NH2+][C@H]2COc3cccc(Cl)c32)ccc1[N+](=O)[O-] ZINC000377882060 499744976 /nfs/dbraw/zinc/74/49/76/499744976.db2.gz CFWZHYGUKJTVFT-NSHDSACASA-N 1 2 350.758 3.186 20 10 FGCDLO CCOc1ccc(O)c(C[NH+]2CCN(C(=O)c3ccc(C)s3)CC2)c1 ZINC000092379813 700435589 /nfs/dbraw/zinc/43/55/89/700435589.db2.gz OOTSXWIAVLXCGA-UHFFFAOYSA-N 1 2 360.479 3.119 20 10 FGCDLO CC(=O)c1cc(F)cc(C[N@@H+](C)Cc2cc(Br)cn2C)c1O ZINC000151627500 704931021 /nfs/dbraw/zinc/93/10/21/704931021.db2.gz QXKYVILKWNXWHH-UHFFFAOYSA-N 1 2 369.234 3.467 20 10 FGCDLO CC(=O)c1cc(F)cc(C[N@H+](C)Cc2cc(Br)cn2C)c1O ZINC000151627500 704931024 /nfs/dbraw/zinc/93/10/24/704931024.db2.gz QXKYVILKWNXWHH-UHFFFAOYSA-N 1 2 369.234 3.467 20 10 FGCDLO COc1ccccc1C[N@H+](CCO)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000177116150 705606689 /nfs/dbraw/zinc/60/66/89/705606689.db2.gz PZNAJEVPJNHDOI-UHFFFAOYSA-N 1 2 363.841 3.251 20 10 FGCDLO COc1ccccc1C[N@@H+](CCO)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000177116150 705606693 /nfs/dbraw/zinc/60/66/93/705606693.db2.gz PZNAJEVPJNHDOI-UHFFFAOYSA-N 1 2 363.841 3.251 20 10 FGCDLO COc1cc(C[NH+]2CCN(C(=O)c3ccc(C)s3)CC2)c(O)cc1C ZINC000179439866 705701614 /nfs/dbraw/zinc/70/16/14/705701614.db2.gz CCQGAPSUWUZXEO-UHFFFAOYSA-N 1 2 360.479 3.037 20 10 FGCDLO Cc1cc(Br)c(O)c(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000781909799 724611176 /nfs/dbraw/zinc/61/11/76/724611176.db2.gz QUSXGYDDSZZBLL-BBRMVZONSA-N 1 2 353.304 3.379 20 10 FGCDLO Cc1cc(Br)c(O)c(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000781909799 724611178 /nfs/dbraw/zinc/61/11/78/724611178.db2.gz QUSXGYDDSZZBLL-BBRMVZONSA-N 1 2 353.304 3.379 20 10 FGCDLO Cc1cc(Br)c([O-])c(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000781909799 724611182 /nfs/dbraw/zinc/61/11/82/724611182.db2.gz QUSXGYDDSZZBLL-BBRMVZONSA-N 1 2 353.304 3.379 20 10 FGCDLO Cc1cc(Br)c([O-])c(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000781909799 724611185 /nfs/dbraw/zinc/61/11/85/724611185.db2.gz QUSXGYDDSZZBLL-BBRMVZONSA-N 1 2 353.304 3.379 20 10 FGCDLO Cc1cc(Br)c([O-])c(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000781909799 724611188 /nfs/dbraw/zinc/61/11/88/724611188.db2.gz QUSXGYDDSZZBLL-BBRMVZONSA-N 1 2 353.304 3.379 20 10 FGCDLO Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000781909799 724611191 /nfs/dbraw/zinc/61/11/91/724611191.db2.gz QUSXGYDDSZZBLL-BBRMVZONSA-N 1 2 353.304 3.379 20 10 FGCDLO COc1ccccc1[C@H](CNC(=O)C1=CC(=O)CS1)[NH+]1CCCCC1 ZINC000731871137 722478779 /nfs/dbraw/zinc/47/87/79/722478779.db2.gz XUDUSIVPMWKVEZ-INIZCTEOSA-N 1 2 360.479 3.419 20 10 FGCDLO CCc1ccc(CN2CC[NH+](Cc3cc4c(cc3O)OCO4)CC2)s1 ZINC000738273882 722529625 /nfs/dbraw/zinc/52/96/25/722529625.db2.gz OHNBJDDIQAKIIG-UHFFFAOYSA-N 1 2 360.479 3.063 20 10 FGCDLO C[C@H]([NH2+][C@H]1CN(C2CC2)C[C@@H]1C)c1cc(Br)c(F)cc1O ZINC000756648169 722968212 /nfs/dbraw/zinc/96/82/12/722968212.db2.gz UOCVIGOKEDZQJW-YHAQOWFVSA-N 1 2 357.267 3.427 20 10 FGCDLO CCOC(=O)c1csc([C@H]2CCC[N@@H+]2Cc2c(O)cccc2OC)n1 ZINC000792197598 723320923 /nfs/dbraw/zinc/32/09/23/723320923.db2.gz ZAGIEFPMIHMQEY-CQSZACIVSA-N 1 2 362.451 3.371 20 10 FGCDLO CCOC(=O)c1csc([C@H]2CCC[N@H+]2Cc2c(O)cccc2OC)n1 ZINC000792197598 723320926 /nfs/dbraw/zinc/32/09/26/723320926.db2.gz ZAGIEFPMIHMQEY-CQSZACIVSA-N 1 2 362.451 3.371 20 10 FGCDLO CCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(C(C)=O)c1O ZINC000796160539 723624257 /nfs/dbraw/zinc/62/42/57/723624257.db2.gz JQXKCLGBBPEZPC-OAHLLOKOSA-N 1 2 368.861 3.349 20 10 FGCDLO CCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1cc(Cl)cc(C(C)=O)c1O ZINC000796160539 723624258 /nfs/dbraw/zinc/62/42/58/723624258.db2.gz JQXKCLGBBPEZPC-OAHLLOKOSA-N 1 2 368.861 3.349 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCCC[C@H]2COC(=O)N(C)C)c1O ZINC000796550606 723643200 /nfs/dbraw/zinc/64/32/00/723643200.db2.gz IWANJTUGUYSWIW-HNNXBMFYSA-N 1 2 368.861 3.301 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCCC[C@H]2COC(=O)N(C)C)c1O ZINC000796550606 723643201 /nfs/dbraw/zinc/64/32/01/723643201.db2.gz IWANJTUGUYSWIW-HNNXBMFYSA-N 1 2 368.861 3.301 20 10 FGCDLO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1C[N@H+](Cc2c(O)cccc2Cl)CCO1 ZINC000770355468 723711852 /nfs/dbraw/zinc/71/18/52/723711852.db2.gz XFVLIABKJUAZBY-MLGOLLRUSA-N 1 2 370.877 3.160 20 10 FGCDLO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1C[N@@H+](Cc2c(O)cccc2Cl)CCO1 ZINC000770355468 723711853 /nfs/dbraw/zinc/71/18/53/723711853.db2.gz XFVLIABKJUAZBY-MLGOLLRUSA-N 1 2 370.877 3.160 20 10 FGCDLO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2Cc2cc(Cl)cc(F)c2O)C[C@@H](C)O1 ZINC000775660698 724018035 /nfs/dbraw/zinc/01/80/35/724018035.db2.gz GWBDGTNRMRZTJI-IOASZLSFSA-N 1 2 356.869 3.258 20 10 FGCDLO C[C@@H]1CN(C[C@@H]2CCC[N@H+]2Cc2cc(Cl)cc(F)c2O)C[C@@H](C)O1 ZINC000775660698 724018042 /nfs/dbraw/zinc/01/80/42/724018042.db2.gz GWBDGTNRMRZTJI-IOASZLSFSA-N 1 2 356.869 3.258 20 10 FGCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000775680335 724023300 /nfs/dbraw/zinc/02/33/00/724023300.db2.gz AUBVASFRKQRLBR-LLVKDONJSA-N 1 2 350.825 3.102 20 10 FGCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000775680335 724023310 /nfs/dbraw/zinc/02/33/10/724023310.db2.gz AUBVASFRKQRLBR-LLVKDONJSA-N 1 2 350.825 3.102 20 10 FGCDLO Cc1cc(Cl)cc(C[N@H+](C)Cc2ccc(S(C)(=O)=O)cc2)c1O ZINC000775715224 724029944 /nfs/dbraw/zinc/02/99/44/724029944.db2.gz UQSQCLDFSCAEJT-UHFFFAOYSA-N 1 2 353.871 3.390 20 10 FGCDLO Cc1cc(Cl)cc(C[N@@H+](C)Cc2ccc(S(C)(=O)=O)cc2)c1O ZINC000775715224 724029949 /nfs/dbraw/zinc/02/99/49/724029949.db2.gz UQSQCLDFSCAEJT-UHFFFAOYSA-N 1 2 353.871 3.390 20 10 FGCDLO O=C(C1CCC1)N(CCC[NH2+]Cc1cc(Cl)cc(F)c1O)C1CC1 ZINC000776174395 724115689 /nfs/dbraw/zinc/11/56/89/724115689.db2.gz NNXLOEOJSBEJLQ-UHFFFAOYSA-N 1 2 354.853 3.456 20 10 FGCDLO C[C@@H]([NH2+]C[C@@H](CO)c1cccnc1)c1cc(Br)cc(F)c1O ZINC000806179299 725119848 /nfs/dbraw/zinc/11/98/48/725119848.db2.gz QPVRLLXFPGHEEV-PWSUYJOCSA-N 1 2 369.234 3.116 20 10 FGCDLO Oc1c(Br)cccc1C[NH+]1CCN(c2ccc(F)cn2)CC1 ZINC000809750080 725264871 /nfs/dbraw/zinc/26/48/71/725264871.db2.gz VPDKLAYLPDJSSJ-UHFFFAOYSA-N 1 2 366.234 3.011 20 10 FGCDLO CC1(C)C[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H](C(F)(F)F)O1 ZINC000814177041 726945025 /nfs/dbraw/zinc/94/50/25/726945025.db2.gz XMTNBUYQFMJWMT-MRXNPFEDSA-N 1 2 358.404 3.065 20 10 FGCDLO CC1(C)C[N@@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H](C(F)(F)F)O1 ZINC000814177041 726945027 /nfs/dbraw/zinc/94/50/27/726945027.db2.gz XMTNBUYQFMJWMT-MRXNPFEDSA-N 1 2 358.404 3.065 20 10 FGCDLO O=C1NCCC[N@@H+](Cc2cc(Cl)c(F)cc2O)[C@H]1Cc1ccccc1 ZINC000816641370 727183622 /nfs/dbraw/zinc/18/36/22/727183622.db2.gz PNJSRQFWOZGJCS-KRWDZBQOSA-N 1 2 362.832 3.118 20 10 FGCDLO O=C1NCCC[N@H+](Cc2cc(Cl)c(F)cc2O)[C@H]1Cc1ccccc1 ZINC000816641370 727183624 /nfs/dbraw/zinc/18/36/24/727183624.db2.gz PNJSRQFWOZGJCS-KRWDZBQOSA-N 1 2 362.832 3.118 20 10 FGCDLO Cc1cc(Br)cc(C[NH2+]Cc2ncn(-c3ccccc3)n2)c1O ZINC000816664895 727187251 /nfs/dbraw/zinc/18/72/51/727187251.db2.gz JNVMHBDWRQFZGR-UHFFFAOYSA-N 1 2 373.254 3.334 20 10 FGCDLO OC[C@]1(F)C[N@H+](Cc2cc(Cl)cc(F)c2O)C[C@H]1c1ccccc1 ZINC000824636102 729352125 /nfs/dbraw/zinc/35/21/25/729352125.db2.gz LUTZRTJEJIWGCY-MAUKXSAKSA-N 1 2 353.796 3.485 20 10 FGCDLO OC[C@]1(F)C[N@@H+](Cc2cc(Cl)cc(F)c2O)C[C@H]1c1ccccc1 ZINC000824636102 729352127 /nfs/dbraw/zinc/35/21/27/729352127.db2.gz LUTZRTJEJIWGCY-MAUKXSAKSA-N 1 2 353.796 3.485 20 10 FGCDLO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000826894688 729418154 /nfs/dbraw/zinc/41/81/54/729418154.db2.gz UCYNSBXTUYVIEC-ZJUUUORDSA-N 1 2 369.742 3.358 20 10 FGCDLO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000826894688 729418155 /nfs/dbraw/zinc/41/81/55/729418155.db2.gz UCYNSBXTUYVIEC-ZJUUUORDSA-N 1 2 369.742 3.358 20 10 FGCDLO Cc1cc(C(=O)C[N@H+]2CCOCC[C@@H]2C)c(C)n1-c1ccc(Cl)cn1 ZINC000828711615 729446808 /nfs/dbraw/zinc/44/68/08/729446808.db2.gz KFBMLGSAPCTVER-ZDUSSCGKSA-N 1 2 361.873 3.436 20 10 FGCDLO Cc1cc(C(=O)C[N@@H+]2CCOCC[C@@H]2C)c(C)n1-c1ccc(Cl)cn1 ZINC000828711615 729446809 /nfs/dbraw/zinc/44/68/09/729446809.db2.gz KFBMLGSAPCTVER-ZDUSSCGKSA-N 1 2 361.873 3.436 20 10 FGCDLO Cc1cnc(CC[NH2+][C@@H](C)c2cc(Br)cc(F)c2O)cn1 ZINC000834907804 729845188 /nfs/dbraw/zinc/84/51/88/729845188.db2.gz CRVNZBCBPULXHJ-JTQLQIEISA-N 1 2 354.223 3.286 20 10 FGCDLO Cc1cnc(CC[NH2+][C@@H](C)c2cc(Br)c(F)cc2O)cn1 ZINC000834909191 729845636 /nfs/dbraw/zinc/84/56/36/729845636.db2.gz PLMCOBZRGAFHSY-JTQLQIEISA-N 1 2 354.223 3.286 20 10 FGCDLO CCc1nsc(N2CC[NH+](C/C=C/c3ccc(N(C)C)cc3)CC2)n1 ZINC000835025083 729850405 /nfs/dbraw/zinc/85/04/05/729850405.db2.gz DLDYBBHPPNJOTQ-AATRIKPKSA-N 1 2 357.527 3.002 20 10 FGCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCO[C@@]3(CCSC3)C2)c1 ZINC000843417569 730618050 /nfs/dbraw/zinc/61/80/50/730618050.db2.gz ISGFBUZSNQWUBT-HNNXBMFYSA-N 1 2 358.301 3.171 20 10 FGCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCO[C@@]3(CCSC3)C2)c1 ZINC000843417569 730618053 /nfs/dbraw/zinc/61/80/53/730618053.db2.gz ISGFBUZSNQWUBT-HNNXBMFYSA-N 1 2 358.301 3.171 20 10 FGCDLO C[C@H]([NH2+][C@@H]1CCN(C2CCC2)C1=O)c1cc(Br)cc(F)c1O ZINC000858602592 732230602 /nfs/dbraw/zinc/23/06/02/732230602.db2.gz DECVDXGXJRGSON-LKFCYVNXSA-N 1 2 371.250 3.098 20 10 FGCDLO C[C@@H]1C[N@H+](Cc2cc(F)c(N(C)C)cc2F)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000862353720 732814048 /nfs/dbraw/zinc/81/40/48/732814048.db2.gz YAQRSNYMOQWTJV-LPMFXHHGSA-N 1 2 354.441 3.189 20 10 FGCDLO C[C@@H]1C[N@@H+](Cc2cc(F)c(N(C)C)cc2F)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000862353720 732814050 /nfs/dbraw/zinc/81/40/50/732814050.db2.gz YAQRSNYMOQWTJV-LPMFXHHGSA-N 1 2 354.441 3.189 20 10 FGCDLO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000877167899 736194562 /nfs/dbraw/zinc/19/45/62/736194562.db2.gz MLKVDSBTYSOIBS-NEPJUHHUSA-N 1 2 356.413 3.406 20 10 FGCDLO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000877167899 736194564 /nfs/dbraw/zinc/19/45/64/736194564.db2.gz MLKVDSBTYSOIBS-NEPJUHHUSA-N 1 2 356.413 3.406 20 10 FGCDLO OC[C@@H]([NH2+]Cc1ccc(F)c(F)c1O)c1ccccc1OC(F)(F)F ZINC000877491887 736671841 /nfs/dbraw/zinc/67/18/41/736671841.db2.gz QJCSUQHXXARLMY-GFCCVEGCSA-N 1 2 363.282 3.392 20 10 FGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]Cc1ccnc(N2CCSCC2)c1 ZINC000877697641 736708105 /nfs/dbraw/zinc/70/81/05/736708105.db2.gz PWCVLHQEIPKWRC-UHFFFAOYSA-N 1 2 367.877 3.423 20 10 FGCDLO COc1ccc(OC)c([C@@H](O)[C@H](C)[NH2+]Cc2cccc(Cl)c2O)c1 ZINC000877832206 736733539 /nfs/dbraw/zinc/73/35/39/736733539.db2.gz IAXWOGUNRCUJCR-GTNSWQLSSA-N 1 2 351.830 3.275 20 10 FGCDLO CC(C)n1cc(C(C)(C)[NH2+]Cc2cc(Br)cc(F)c2O)nn1 ZINC000883147715 737529633 /nfs/dbraw/zinc/52/96/33/737529633.db2.gz FOACIVGNTUPQNW-UHFFFAOYSA-N 1 2 371.254 3.491 20 10 FGCDLO CC(=O)NCC[C@H]1CCC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000894781138 742332723 /nfs/dbraw/zinc/33/27/23/742332723.db2.gz OFEVMBVBTJMYTO-GFCCVEGCSA-N 1 2 373.266 3.032 20 10 FGCDLO CC(=O)NCC[C@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000894781138 742332727 /nfs/dbraw/zinc/33/27/27/742332727.db2.gz OFEVMBVBTJMYTO-GFCCVEGCSA-N 1 2 373.266 3.032 20 10 FGCDLO COc1cccc2c1CC[C@]2(CO)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000895634028 742435015 /nfs/dbraw/zinc/43/50/15/742435015.db2.gz IGJQQBDRSPONOZ-GOSISDBHSA-N 1 2 351.805 3.117 20 10 FGCDLO CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](C[NH2+]Cc3cccc(Cl)c3O)[C@@H]2C1 ZINC000896901226 742613042 /nfs/dbraw/zinc/61/30/42/742613042.db2.gz QLHQIQJKQZNMKU-ZSOGYDGISA-N 1 2 352.862 3.248 20 10 FGCDLO COc1ccc([NH+]2CCC(Nc3ncc(Br)cn3)CC2)cc1 ZINC000067371346 494524971 /nfs/dbraw/zinc/52/49/71/494524971.db2.gz SZDYOZWJCGDYDX-UHFFFAOYSA-N 1 2 363.259 3.329 20 10 FGCDLO O=C1/C(=C/c2ccc(N3CCCC3)[nH+]c2)SC(=S)N1Cc1ccon1 ZINC000130353709 495378385 /nfs/dbraw/zinc/37/83/85/495378385.db2.gz LFXVLXRASVOFLU-ZROIWOOFSA-N 1 2 372.475 3.071 20 10 FGCDLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000125901409 495515788 /nfs/dbraw/zinc/51/57/88/495515788.db2.gz GMMFXSXCTHSJNW-AWEZNQCLSA-N 1 2 364.486 3.488 20 10 FGCDLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000125901409 495515791 /nfs/dbraw/zinc/51/57/91/495515791.db2.gz GMMFXSXCTHSJNW-AWEZNQCLSA-N 1 2 364.486 3.488 20 10 FGCDLO O=C(c1cccnc1)N1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000156874430 496354591 /nfs/dbraw/zinc/35/45/91/496354591.db2.gz XUGVWCAGOADYNV-UHFFFAOYSA-N 1 2 364.493 3.030 20 10 FGCDLO Oc1ccccc1C[N@@H+](Cc1nnc(C2CC2)n1C1CC1)C[C@H]1CCCO1 ZINC000181461205 496406540 /nfs/dbraw/zinc/40/65/40/496406540.db2.gz UUJHQRBIWWJWCN-GOSISDBHSA-N 1 2 368.481 3.377 20 10 FGCDLO Oc1ccccc1C[N@H+](Cc1nnc(C2CC2)n1C1CC1)C[C@H]1CCCO1 ZINC000181461205 496406544 /nfs/dbraw/zinc/40/65/44/496406544.db2.gz UUJHQRBIWWJWCN-GOSISDBHSA-N 1 2 368.481 3.377 20 10 FGCDLO C[C@@H]([NH2+]CCNc1nccc(C(F)(F)F)n1)c1ccc(F)c(F)c1O ZINC000187727562 496548422 /nfs/dbraw/zinc/54/84/22/496548422.db2.gz BDDXLRPUVITQEZ-MRVPVSSYSA-N 1 2 362.302 3.242 20 10 FGCDLO C[C@H]([NH2+]Cc1cccc(CN2CCCC2=O)c1)c1cc([N+](=O)[O-])ccc1O ZINC000273296572 496766685 /nfs/dbraw/zinc/76/66/85/496766685.db2.gz AHVGWSGVVNTHEH-AWEZNQCLSA-N 1 2 369.421 3.274 20 10 FGCDLO CCCNC(=O)c1cccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000273401689 496796146 /nfs/dbraw/zinc/79/61/46/496796146.db2.gz NEVXDRCWLLJCFF-ZDUSSCGKSA-N 1 2 357.410 3.291 20 10 FGCDLO CCOC(=O)c1csc([C@@H]2CCC[N@@H+]2Cc2cccc(OC)c2O)n1 ZINC000191830699 496903300 /nfs/dbraw/zinc/90/33/00/496903300.db2.gz SRBCSKGBFUMUMO-AWEZNQCLSA-N 1 2 362.451 3.371 20 10 FGCDLO CCOC(=O)c1csc([C@@H]2CCC[N@H+]2Cc2cccc(OC)c2O)n1 ZINC000191830699 496903304 /nfs/dbraw/zinc/90/33/04/496903304.db2.gz SRBCSKGBFUMUMO-AWEZNQCLSA-N 1 2 362.451 3.371 20 10 FGCDLO O=S1(=O)CCC(C[N@@H+]2CCCc3cc(OC(F)(F)F)ccc32)CC1 ZINC000270466205 497132596 /nfs/dbraw/zinc/13/25/96/497132596.db2.gz MQFOAQWXLLAUTQ-UHFFFAOYSA-N 1 2 363.401 3.163 20 10 FGCDLO O=S1(=O)CCC(C[N@H+]2CCCc3cc(OC(F)(F)F)ccc32)CC1 ZINC000270466205 497132600 /nfs/dbraw/zinc/13/26/00/497132600.db2.gz MQFOAQWXLLAUTQ-UHFFFAOYSA-N 1 2 363.401 3.163 20 10 FGCDLO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2cc(COC(C)(C)C)on2)c1 ZINC000275026756 497222028 /nfs/dbraw/zinc/22/20/28/497222028.db2.gz VESBUXLIRRMTEQ-LBPRGKRZSA-N 1 2 362.426 3.333 20 10 FGCDLO C[C@H]([NH2+]CC1(S(C)(=O)=O)CCC1)c1ccc(Cl)c(Cl)c1O ZINC000280848852 497921425 /nfs/dbraw/zinc/92/14/25/497921425.db2.gz BIQYMEMZAUQNIR-VIFPVBQESA-N 1 2 352.283 3.317 20 10 FGCDLO COc1cccc(CNc2ccc(Cl)c(C[NH+]3CCOCC3)c2)c1O ZINC000281836600 498286352 /nfs/dbraw/zinc/28/63/52/498286352.db2.gz XLWUMNNDQZPJOH-UHFFFAOYSA-N 1 2 362.857 3.499 20 10 FGCDLO CC[C@@H]([NH2+]Cc1nc(COc2ccccc2)n[nH]1)c1ccc(F)cc1O ZINC000286154642 498307967 /nfs/dbraw/zinc/30/79/67/498307967.db2.gz PAAUHKJBHAHTCN-MRXNPFEDSA-N 1 2 356.401 3.469 20 10 FGCDLO CN(C)c1ccc(CN(C)C(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)cc1 ZINC000361598366 498410769 /nfs/dbraw/zinc/41/07/69/498410769.db2.gz XCOKVIQZVZAAGX-SFHVURJKSA-N 1 2 352.482 3.023 20 10 FGCDLO C[C@@H]([NH2+][C@H](C(N)=O)c1ccccn1)c1ccc(N2CCCCC2)c(F)c1 ZINC000297445982 498451569 /nfs/dbraw/zinc/45/15/69/498451569.db2.gz WOUZWXXFCRATMG-KUHUBIRLSA-N 1 2 356.445 3.088 20 10 FGCDLO O=C(c1ccco1)N1CCC([NH2+]Cc2cc(Cl)c(F)cc2O)CC1 ZINC000293811789 498498087 /nfs/dbraw/zinc/49/80/87/498498087.db2.gz CNJONJBICCHVDL-UHFFFAOYSA-N 1 2 352.793 3.172 20 10 FGCDLO O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282537470 498549411 /nfs/dbraw/zinc/54/94/11/498549411.db2.gz COKVLTYFLKNSTO-MNDMWVCDSA-N 1 2 367.449 3.050 20 10 FGCDLO c1csc(SCCCNc2cc(N3CCSCC3)nc[nH+]2)n1 ZINC000302881417 498614311 /nfs/dbraw/zinc/61/43/11/498614311.db2.gz HXRFENXIWPHBTF-UHFFFAOYSA-N 1 2 353.542 3.081 20 10 FGCDLO c1csc(SCCCNc2cc(N3CCSCC3)[nH+]cn2)n1 ZINC000302881417 498614316 /nfs/dbraw/zinc/61/43/16/498614316.db2.gz HXRFENXIWPHBTF-UHFFFAOYSA-N 1 2 353.542 3.081 20 10 FGCDLO COc1cc(Cl)cc(CNc2ccccc2C[NH+]2CCOCC2)c1O ZINC000294742911 498789523 /nfs/dbraw/zinc/78/95/23/498789523.db2.gz JYFIWPFHEDMDQH-UHFFFAOYSA-N 1 2 362.857 3.499 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)CCc3ccccc3O)CC2)cc1 ZINC000363451414 498828213 /nfs/dbraw/zinc/82/82/13/498828213.db2.gz YKLASHXLGRWSNP-UHFFFAOYSA-N 1 2 368.477 3.461 20 10 FGCDLO Cn1ncc2c1nc[nH+]c2NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000363458318 498831289 /nfs/dbraw/zinc/83/12/89/498831289.db2.gz STZGZCSRTQEZHT-UHFFFAOYSA-N 1 2 374.395 3.046 20 10 FGCDLO COCCOCc1ccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000291246513 498862205 /nfs/dbraw/zinc/86/22/05/498862205.db2.gz PAPVTGYLZREMJV-CQSZACIVSA-N 1 2 360.410 3.314 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)c3ccnc(Cl)c3)CC2)cc1 ZINC000363631488 498914920 /nfs/dbraw/zinc/91/49/20/498914920.db2.gz NIPSPKGAROKJTF-UHFFFAOYSA-N 1 2 359.857 3.485 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)/C=C/c3ccn(C)c3)CC2)cc1 ZINC000368892589 499343753 /nfs/dbraw/zinc/34/37/53/499343753.db2.gz BZVSODJBGZPGAM-RUDMXATFSA-N 1 2 353.466 3.174 20 10 FGCDLO Cn1cc([C@H]2[C@H](C[NH2+]Cc3c(O)ccc(Cl)c3F)CCCN2C)cn1 ZINC000372976207 499445525 /nfs/dbraw/zinc/44/55/25/499445525.db2.gz IZDWBVAWKJFYSX-KPZWWZAWSA-N 1 2 366.868 3.091 20 10 FGCDLO Oc1ccc(Br)cc1C[N@@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000529664753 504754745 /nfs/dbraw/zinc/75/47/45/504754745.db2.gz GOMQYISAJYICNV-UHFFFAOYSA-N 1 2 360.255 3.380 20 10 FGCDLO Oc1ccc(Br)cc1C[N@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000529664753 504754748 /nfs/dbraw/zinc/75/47/48/504754748.db2.gz GOMQYISAJYICNV-UHFFFAOYSA-N 1 2 360.255 3.380 20 10 FGCDLO COc1ccc(OC)c(NC(=S)NCc2[nH+]cc(C)c(OC)c2C)c1 ZINC000726487917 722435516 /nfs/dbraw/zinc/43/55/16/722435516.db2.gz QBSOFBZXJLOFOF-UHFFFAOYSA-N 1 2 361.467 3.211 20 10 FGCDLO C[C@H]([NH2+]CCC(=O)NC(C)(C)C)c1cc(Br)cc(F)c1O ZINC000756686056 722968709 /nfs/dbraw/zinc/96/87/09/722968709.db2.gz SUVMDGZXFCUPMT-VIFPVBQESA-N 1 2 361.255 3.249 20 10 FGCDLO C[NH+](C)Cc1ccc(S(=O)(=O)Nc2nc(-c3ccccn3)cs2)cc1 ZINC000789725732 723069193 /nfs/dbraw/zinc/06/91/93/723069193.db2.gz ASFQRISUOFDZIT-UHFFFAOYSA-N 1 2 374.491 3.068 20 10 FGCDLO C[C@H]([NH2+]Cc1nnc2n1CCCC2)c1cc(Br)c(F)cc1O ZINC000760866977 723099767 /nfs/dbraw/zinc/09/97/67/723099767.db2.gz BKNNCMYILHPTKL-VIFPVBQESA-N 1 2 369.238 3.072 20 10 FGCDLO CCOC(=O)C1(C[NH2+]Cc2cccc(Br)c2O)CCCC1 ZINC000792196787 723320673 /nfs/dbraw/zinc/32/06/73/723320673.db2.gz WLGAOCYFNWIMQD-UHFFFAOYSA-N 1 2 356.260 3.368 20 10 FGCDLO C[C@H]1OCC[C@]12C[N@H+](Cc1ccc(N(C)C)cc1C(F)(F)F)CCO2 ZINC000793232202 723414370 /nfs/dbraw/zinc/41/43/70/723414370.db2.gz USPDAKCKXYGKCM-DYVFJYSZSA-N 1 2 358.404 3.151 20 10 FGCDLO C[C@H]1OCC[C@]12C[N@@H+](Cc1ccc(N(C)C)cc1C(F)(F)F)CCO2 ZINC000793232202 723414374 /nfs/dbraw/zinc/41/43/74/723414374.db2.gz USPDAKCKXYGKCM-DYVFJYSZSA-N 1 2 358.404 3.151 20 10 FGCDLO O=C(NCc1cccc(Br)c1O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000765726018 723535480 /nfs/dbraw/zinc/53/54/80/723535480.db2.gz CDQOUSNQAOZZKJ-UHFFFAOYSA-N 1 2 372.222 3.270 20 10 FGCDLO C[N@H+](Cc1cn(-c2cccc(Br)c2)nn1)Cc1ccccc1O ZINC000796012995 723617489 /nfs/dbraw/zinc/61/74/89/723617489.db2.gz CYYUIKJUTXIUJW-UHFFFAOYSA-N 1 2 373.254 3.367 20 10 FGCDLO C[N@@H+](Cc1cn(-c2cccc(Br)c2)nn1)Cc1ccccc1O ZINC000796012995 723617491 /nfs/dbraw/zinc/61/74/91/723617491.db2.gz CYYUIKJUTXIUJW-UHFFFAOYSA-N 1 2 373.254 3.367 20 10 FGCDLO COc1c(O)c(C[NH2+]Cc2coc(-c3cccs3)n2)ccc1[N+](=O)[O-] ZINC000774987797 723948343 /nfs/dbraw/zinc/94/83/43/723948343.db2.gz XQBYZLLOZWZJRS-UHFFFAOYSA-N 1 2 361.379 3.315 20 10 FGCDLO Cc1ccc([C@@H](C[NH2+]Cc2cc(Cl)cc(F)c2O)N2CCOCC2)o1 ZINC000775826918 724067876 /nfs/dbraw/zinc/06/78/76/724067876.db2.gz IXKCMUFDRLRUMF-MRXNPFEDSA-N 1 2 368.836 3.249 20 10 FGCDLO Cc1cc(Br)c(O)c(C[NH2+]Cc2ncnn2-c2ccccc2)c1 ZINC000785526117 724919569 /nfs/dbraw/zinc/91/95/69/724919569.db2.gz OXLVQISYHRVMBI-UHFFFAOYSA-N 1 2 373.254 3.334 20 10 FGCDLO C[C@H]([NH2+]C[C@H](CO)c1cccnc1)c1cc(Br)cc(F)c1O ZINC000806179297 725119821 /nfs/dbraw/zinc/11/98/21/725119821.db2.gz QPVRLLXFPGHEEV-CMPLNLGQSA-N 1 2 369.234 3.116 20 10 FGCDLO OC[C@H]1CCN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1cccc(Cl)c1O ZINC000809764720 725266240 /nfs/dbraw/zinc/26/62/40/725266240.db2.gz HDYUPVVMUNJHDD-MJGOQNOKSA-N 1 2 360.885 3.018 20 10 FGCDLO COc1ccc(N2C[C@H]([NH2+]Cc3cc(Cl)cc(F)c3O)CC2=O)cc1 ZINC000826981464 729420819 /nfs/dbraw/zinc/42/08/19/729420819.db2.gz XLYPZUHKLZGXRF-CYBMUJFWSA-N 1 2 364.804 3.088 20 10 FGCDLO Cc1ccc2[nH+]c(CSCC(=O)N[C@H](C)c3ccccc3O)cn2c1 ZINC000827923764 729437224 /nfs/dbraw/zinc/43/72/24/729437224.db2.gz ZJRFVIKCSQOWKW-CQSZACIVSA-N 1 2 355.463 3.459 20 10 FGCDLO Cc1cc(O)c(C[N@@H+]2CCOC[C@H]2C[C@@H](O)c2ccco2)c(Cl)c1 ZINC000840920972 730191788 /nfs/dbraw/zinc/19/17/88/730191788.db2.gz LLJJGQJYCLJBCD-CXAGYDPISA-N 1 2 351.830 3.272 20 10 FGCDLO Cc1cc(O)c(C[N@H+]2CCOC[C@H]2C[C@@H](O)c2ccco2)c(Cl)c1 ZINC000840920972 730191789 /nfs/dbraw/zinc/19/17/89/730191789.db2.gz LLJJGQJYCLJBCD-CXAGYDPISA-N 1 2 351.830 3.272 20 10 FGCDLO C[C@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1=O)c1cc(Br)cc(F)c1O ZINC000842885835 730554043 /nfs/dbraw/zinc/55/40/43/730554043.db2.gz QBRLPZNOFNECTJ-TVQRCGJNSA-N 1 2 373.266 3.344 20 10 FGCDLO O=C(NC1CC1)[C@@H]1Cc2ccccc2C[N@H+]1Cc1cc(Cl)ccc1O ZINC000843421325 730619072 /nfs/dbraw/zinc/61/90/72/730619072.db2.gz XJHCWIZGGVDDPQ-SFHVURJKSA-N 1 2 356.853 3.251 20 10 FGCDLO O=C(NC1CC1)[C@@H]1Cc2ccccc2C[N@@H+]1Cc1cc(Cl)ccc1O ZINC000843421325 730619073 /nfs/dbraw/zinc/61/90/73/730619073.db2.gz XJHCWIZGGVDDPQ-SFHVURJKSA-N 1 2 356.853 3.251 20 10 FGCDLO C[C@H]1C[C@H]([NH2+]Cc2cc(Br)cc(Br)c2O)CO1 ZINC000843433456 730620684 /nfs/dbraw/zinc/62/06/84/730620684.db2.gz ZZGSOJGKIGKMFP-XVKPBYJWSA-N 1 2 365.065 3.184 20 10 FGCDLO Cn1cc(C[C@H]2CCC[C@H]2[NH2+]Cc2cccc(Br)c2O)cn1 ZINC000850385022 731351062 /nfs/dbraw/zinc/35/10/62/731351062.db2.gz WORQYWKGCQDJPZ-CZUORRHYSA-N 1 2 364.287 3.389 20 10 FGCDLO CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000858469129 732217654 /nfs/dbraw/zinc/21/76/54/732217654.db2.gz QWEPZTFLATVCHS-KBPBESRZSA-N 1 2 374.312 3.080 20 10 FGCDLO CC[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000858469129 732217657 /nfs/dbraw/zinc/21/76/57/732217657.db2.gz QWEPZTFLATVCHS-KBPBESRZSA-N 1 2 374.312 3.080 20 10 FGCDLO Cn1cc([C@@H]2CSCC[N@H+]2Cc2c(O)cccc2Br)cn1 ZINC000862342771 732812169 /nfs/dbraw/zinc/81/21/69/732812169.db2.gz MUWLTDBJMRGJTJ-AWEZNQCLSA-N 1 2 368.300 3.178 20 10 FGCDLO O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2O)CC1)c1ccsc1 ZINC000876639627 736124716 /nfs/dbraw/zinc/12/47/16/736124716.db2.gz VJUASCXMAFBOKR-UHFFFAOYSA-N 1 2 352.406 3.126 20 10 FGCDLO O=C1[C@H]([NH2+]Cc2cc(Cl)cc(Br)c2O)C[C@H]2CCCCN12 ZINC000883140189 737528565 /nfs/dbraw/zinc/52/85/65/737528565.db2.gz LXCDSBFLGFTRDJ-DGCLKSJQSA-N 1 2 373.678 3.051 20 10 FGCDLO FC(F)(F)c1nc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)cs1 ZINC000892667955 740029389 /nfs/dbraw/zinc/02/93/89/740029389.db2.gz FETAKFHDDFEJFU-UHFFFAOYSA-N 1 2 357.401 3.288 20 10 FGCDLO C[C@@](CO)([NH2+]Cc1ccc(F)c(F)c1O)c1cccc(Br)c1 ZINC000898168838 742752310 /nfs/dbraw/zinc/75/23/10/742752310.db2.gz RHSVAOMIQBLWLV-INIZCTEOSA-N 1 2 372.209 3.430 20 10 FGCDLO Cc1cc(Br)c(O)c(C[NH2+]Cc2nc(CN(C)C)cs2)c1 ZINC000922488051 758935320 /nfs/dbraw/zinc/93/53/20/758935320.db2.gz BMWIJEUAPCEPFY-UHFFFAOYSA-N 1 2 370.316 3.271 20 10 FGCDLO OC[C@@]1(c2ccccc2)C[C@H]([NH2+]Cc2cccc(Br)c2O)C1 ZINC000923009987 759049908 /nfs/dbraw/zinc/04/99/08/759049908.db2.gz HUTXPPSCVPGJMT-RHNCMZPLSA-N 1 2 362.267 3.337 20 10 FGCDLO Cc1ccc2[nH+]c(CNC(=O)NCc3ccc(N4CCCC4)cc3)cn2c1 ZINC000057221817 494684744 /nfs/dbraw/zinc/68/47/44/494684744.db2.gz NEUYISQFFXMADA-UHFFFAOYSA-N 1 2 363.465 3.242 20 10 FGCDLO C[N@H+](Cc1noc(-c2ccsc2)n1)Cc1ccc(N2CCOCC2)cc1 ZINC000127206428 494909404 /nfs/dbraw/zinc/90/94/04/494909404.db2.gz MEJYRVKXRYZVNK-UHFFFAOYSA-N 1 2 370.478 3.267 20 10 FGCDLO C[N@@H+](Cc1noc(-c2ccsc2)n1)Cc1ccc(N2CCOCC2)cc1 ZINC000127206428 494909408 /nfs/dbraw/zinc/90/94/08/494909408.db2.gz MEJYRVKXRYZVNK-UHFFFAOYSA-N 1 2 370.478 3.267 20 10 FGCDLO COc1ccc(N2CCN(C(=O)Nc3ccc(C)[nH+]c3C)CC2)cc1F ZINC000176766350 495776775 /nfs/dbraw/zinc/77/67/75/495776775.db2.gz HHSPIZXGVSVDSK-UHFFFAOYSA-N 1 2 358.417 3.200 20 10 FGCDLO CCc1cc(N2CCC([NH2+][C@@H](C)c3ccc(F)c(F)c3O)CC2)ncn1 ZINC000187745845 496553474 /nfs/dbraw/zinc/55/34/74/496553474.db2.gz VORJGAHBQFETCJ-LBPRGKRZSA-N 1 2 362.424 3.342 20 10 FGCDLO C[C@H]([NH2+]Cc1cccc(N2CCCC2=O)c1)c1cc([N+](=O)[O-])ccc1O ZINC000273441359 496807463 /nfs/dbraw/zinc/80/74/63/496807463.db2.gz YPODJDVEHWUAOX-ZDUSSCGKSA-N 1 2 355.394 3.278 20 10 FGCDLO C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1)c1cc([N+](=O)[O-])ccc1O ZINC000273527156 496830308 /nfs/dbraw/zinc/83/03/08/496830308.db2.gz VOOVBSFWECBXAG-BBRMVZONSA-N 1 2 371.441 3.009 20 10 FGCDLO C[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1O)c1ccc2c(c1)CC(=O)N2C ZINC000273576935 496845110 /nfs/dbraw/zinc/84/51/10/496845110.db2.gz MASZJMDIKPCOJL-NEPJUHHUSA-N 1 2 355.394 3.231 20 10 FGCDLO C[C@@H]([NH2+][C@H](CN1CCOCC1)c1ccccc1)c1ccc(F)c(F)c1O ZINC000191189330 497737646 /nfs/dbraw/zinc/73/76/46/497737646.db2.gz ZZNXFWMJOSWQHT-RDTXWAMCSA-N 1 2 362.420 3.395 20 10 FGCDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000280455171 497758893 /nfs/dbraw/zinc/75/88/93/497758893.db2.gz WDBFTFXELIYJJO-SFHVURJKSA-N 1 2 355.486 3.406 20 10 FGCDLO CCCOc1ccc(C[N@@H+]2CCCC[C@H]2c2nc(COC)n[nH]2)c(O)c1 ZINC000296021741 497893692 /nfs/dbraw/zinc/89/36/92/497893692.db2.gz MMCUPAWBTOEPKY-INIZCTEOSA-N 1 2 360.458 3.173 20 10 FGCDLO CCCOc1ccc(C[N@H+]2CCCC[C@H]2c2nc(COC)n[nH]2)c(O)c1 ZINC000296021741 497893698 /nfs/dbraw/zinc/89/36/98/497893698.db2.gz MMCUPAWBTOEPKY-INIZCTEOSA-N 1 2 360.458 3.173 20 10 FGCDLO Cc1nc(NCc2ccc(N3CCOCC3)c(F)c2)c2c([nH+]1)CCCC2 ZINC000302072806 498397443 /nfs/dbraw/zinc/39/74/43/498397443.db2.gz ZMMQKJFFTFTIQE-UHFFFAOYSA-N 1 2 356.445 3.252 20 10 FGCDLO CC[C@@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1cc(Cl)cc(Cl)c1O ZINC000287899678 498897872 /nfs/dbraw/zinc/89/78/72/498897872.db2.gz ZODDLYVAAIRHAV-TVQRCGJNSA-N 1 2 352.283 3.174 20 10 FGCDLO COc1ccc([NH+]2CCC(Nc3ccc(C(=O)N(C)C)cc3)CC2)cc1 ZINC000367028859 499136020 /nfs/dbraw/zinc/13/60/20/499136020.db2.gz XIXFQKUVURGLIS-UHFFFAOYSA-N 1 2 353.466 3.478 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)NC[C@H]3CCCS3)CC2)cc1 ZINC000370407797 499217348 /nfs/dbraw/zinc/21/73/48/499217348.db2.gz VWJPLOIBUZZNBA-GOSISDBHSA-N 1 2 363.527 3.201 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)c3ccc(C)c(O)c3)CC2)cc1 ZINC000368065875 499260893 /nfs/dbraw/zinc/26/08/93/499260893.db2.gz XCTXBIICUKQIPZ-UHFFFAOYSA-N 1 2 354.450 3.450 20 10 FGCDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1cc(C)n(-c3ccccn3)c1C)CCC2 ZINC000378247697 499494203 /nfs/dbraw/zinc/49/42/03/499494203.db2.gz YLZPRSJPODTAQE-QGZVFWFLSA-N 1 2 363.465 3.301 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)c3nc([C@@H](C)OC)ns3)CC2)cc1 ZINC000375695925 499546457 /nfs/dbraw/zinc/54/64/57/499546457.db2.gz FWXHLCQGWSNWRI-CYBMUJFWSA-N 1 2 362.499 3.359 20 10 FGCDLO Cc1[nH]c2ccccc2c1C1=CCN(c2cc(NC[C@H](C)O)[nH+]cn2)CC1 ZINC000413204664 499926592 /nfs/dbraw/zinc/92/65/92/499926592.db2.gz OIAGXKDQAXYEGV-AWEZNQCLSA-N 1 2 363.465 3.353 20 10 FGCDLO Cc1[nH]c2ccccc2c1C1=CCN(c2cc(NC[C@H](C)O)nc[nH+]2)CC1 ZINC000413204664 499926593 /nfs/dbraw/zinc/92/65/93/499926593.db2.gz OIAGXKDQAXYEGV-AWEZNQCLSA-N 1 2 363.465 3.353 20 10 FGCDLO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000567661771 505528435 /nfs/dbraw/zinc/52/84/35/505528435.db2.gz ICOXELLRJDAXAN-QGZVFWFLSA-N 1 2 364.449 3.245 20 10 FGCDLO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000092455402 700436002 /nfs/dbraw/zinc/43/60/02/700436002.db2.gz ARNLLUZSAAXMEG-LBPRGKRZSA-N 1 2 371.275 3.254 20 10 FGCDLO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000092455402 700436004 /nfs/dbraw/zinc/43/60/04/700436004.db2.gz ARNLLUZSAAXMEG-LBPRGKRZSA-N 1 2 371.275 3.254 20 10 FGCDLO CN(CC(F)(F)F)C(=O)C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000111232804 700547021 /nfs/dbraw/zinc/54/70/21/700547021.db2.gz ZEKBBIYOBYRCMX-UHFFFAOYSA-N 1 2 356.344 3.008 20 10 FGCDLO CN(CC(F)(F)F)C(=O)C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000111232804 700547024 /nfs/dbraw/zinc/54/70/24/700547024.db2.gz ZEKBBIYOBYRCMX-UHFFFAOYSA-N 1 2 356.344 3.008 20 10 FGCDLO C[C@H](CC[NH2+][C@@H](C)c1cc(Br)cc(F)c1O)[S@](C)=O ZINC000756763302 722969780 /nfs/dbraw/zinc/96/97/80/722969780.db2.gz WUDSTLVADSNZHS-MGOSUKFUSA-N 1 2 352.269 3.102 20 10 FGCDLO C[C@@H](N1CC[NH+](Cc2cc(C(C)(C)C)cc(O)c2O)CC1)C(F)(F)F ZINC000749959546 722749944 /nfs/dbraw/zinc/74/99/44/722749944.db2.gz QGSPHLIARXNPBN-GFCCVEGCSA-N 1 2 360.420 3.464 20 10 FGCDLO C[C@H]([NH2+]CCCc1cnn(C)c1)c1cc(Br)c(F)cc1O ZINC000756530702 722966267 /nfs/dbraw/zinc/96/62/67/722966267.db2.gz ZOAZPTIJEIYNFZ-JTQLQIEISA-N 1 2 356.239 3.311 20 10 FGCDLO C[C@H]([NH2+]CCOC[C@H]1CCCO1)c1cc(Br)cc(F)c1O ZINC000756582892 722967186 /nfs/dbraw/zinc/96/71/86/722967186.db2.gz KDIGWRUDFKSYTE-CMPLNLGQSA-N 1 2 362.239 3.140 20 10 FGCDLO C[C@@H](Nc1ccc(N(C)CCO)c[nH+]1)c1cc(Br)ccc1O ZINC000756843892 722970657 /nfs/dbraw/zinc/97/06/57/722970657.db2.gz HXLREOZFWSWNBA-LLVKDONJSA-N 1 2 366.259 3.151 20 10 FGCDLO COC(=O)C[C@](C)([NH2+]Cc1c(O)ccc(Cl)c1F)c1ccncc1 ZINC000792173790 723318073 /nfs/dbraw/zinc/31/80/73/723318073.db2.gz CNPSKORYTJRZDE-KRWDZBQOSA-N 1 2 352.793 3.148 20 10 FGCDLO Cc1ccc(CN2CC[C@@H]([NH2+]Cc3cc(Cl)cc(F)c3O)C2=O)cc1 ZINC000792195921 723320537 /nfs/dbraw/zinc/32/05/37/723320537.db2.gz HEANSOYKWPCZTO-QGZVFWFLSA-N 1 2 362.832 3.384 20 10 FGCDLO CC[N@H+](CC(=O)N1CCCCCC1)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000796602327 723645874 /nfs/dbraw/zinc/64/58/74/723645874.db2.gz RJJJBZLAYKIJCF-UHFFFAOYSA-N 1 2 366.889 3.473 20 10 FGCDLO CC[N@@H+](CC(=O)N1CCCCCC1)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000796602327 723645875 /nfs/dbraw/zinc/64/58/75/723645875.db2.gz RJJJBZLAYKIJCF-UHFFFAOYSA-N 1 2 366.889 3.473 20 10 FGCDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(Br)ccc1O ZINC000769325888 723682485 /nfs/dbraw/zinc/68/24/85/723682485.db2.gz CIUROAYEWDSZMP-ZDUSSCGKSA-N 1 2 356.260 3.461 20 10 FGCDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+]1Cc1cc(Br)ccc1O ZINC000769325888 723682486 /nfs/dbraw/zinc/68/24/86/723682486.db2.gz CIUROAYEWDSZMP-ZDUSSCGKSA-N 1 2 356.260 3.461 20 10 FGCDLO C[C@@H]([NH2+]CC1([S@](C)=O)CCC1)c1cc(Br)cc(F)c1O ZINC000798004605 723897624 /nfs/dbraw/zinc/89/76/24/723897624.db2.gz NUADWMPVUQKVER-YBYGRFCBSA-N 1 2 364.280 3.246 20 10 FGCDLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1cc(C)cc(Br)c1O ZINC000786580084 724989814 /nfs/dbraw/zinc/98/98/14/724989814.db2.gz XKIYUGJCAYNHKR-ZLDLUXBVSA-N 1 2 368.271 3.237 20 10 FGCDLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1cc(C)cc(Br)c1O ZINC000786580084 724989816 /nfs/dbraw/zinc/98/98/16/724989816.db2.gz XKIYUGJCAYNHKR-ZLDLUXBVSA-N 1 2 368.271 3.237 20 10 FGCDLO CC[C@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)c1cccc(Cl)c1O ZINC000806132923 725117312 /nfs/dbraw/zinc/11/73/12/725117312.db2.gz CQGPNYZMHYBUKQ-FUHWJXTLSA-N 1 2 370.946 3.294 20 10 FGCDLO CN(C)c1ccc(C[N@@H+]2CCO[C@]3(CCCOC3)C2)c(C(F)(F)F)c1 ZINC000809686704 725258692 /nfs/dbraw/zinc/25/86/92/725258692.db2.gz IKJMYEBBHOVHGL-QGZVFWFLSA-N 1 2 358.404 3.153 20 10 FGCDLO CN(C)c1ccc(C[N@H+]2CCO[C@]3(CCCOC3)C2)c(C(F)(F)F)c1 ZINC000809686704 725258693 /nfs/dbraw/zinc/25/86/93/725258693.db2.gz IKJMYEBBHOVHGL-QGZVFWFLSA-N 1 2 358.404 3.153 20 10 FGCDLO O=C(NCCC[NH2+]Cc1cc(Cl)c(F)cc1O)c1cccc(F)c1 ZINC000816551274 727174564 /nfs/dbraw/zinc/17/45/64/727174564.db2.gz VKFAFECRUKCBLM-UHFFFAOYSA-N 1 2 354.784 3.234 20 10 FGCDLO C[C@H]([NH2+]C[C@H]1CC[C@H](C(N)=O)CC1)c1cc(Br)cc(F)c1O ZINC000817585230 727268135 /nfs/dbraw/zinc/26/81/35/727268135.db2.gz CWUWYHHXGGMILM-DCAQKATOSA-N 1 2 373.266 3.236 20 10 FGCDLO CC(C)C[C@@H](C(=O)NCc1cc(Br)ccc1O)n1cc[nH+]c1 ZINC000822898623 729230021 /nfs/dbraw/zinc/23/00/21/729230021.db2.gz KVPJOWHBKLNYJT-AWEZNQCLSA-N 1 2 366.259 3.255 20 10 FGCDLO OC[C@@]1(F)C[N@H+](Cc2cc(Cl)cc(F)c2O)C[C@@H]1c1ccccc1 ZINC000824636104 729352237 /nfs/dbraw/zinc/35/22/37/729352237.db2.gz LUTZRTJEJIWGCY-QAPCUYQASA-N 1 2 353.796 3.485 20 10 FGCDLO OC[C@@]1(F)C[N@@H+](Cc2cc(Cl)cc(F)c2O)C[C@@H]1c1ccccc1 ZINC000824636104 729352239 /nfs/dbraw/zinc/35/22/39/729352239.db2.gz LUTZRTJEJIWGCY-QAPCUYQASA-N 1 2 353.796 3.485 20 10 FGCDLO OCCSCc1cc[nH+]c(NCc2ccc(Br)cc2O)c1 ZINC000825395351 729381615 /nfs/dbraw/zinc/38/16/15/729381615.db2.gz IPPMSTBXDZCMST-UHFFFAOYSA-N 1 2 369.284 3.387 20 10 FGCDLO COC(=O)[C@H]([NH2+]Cc1cc(Cl)c(C)cc1O)[C@@H]1CCC[C@H](OC)C1 ZINC000826143421 729405953 /nfs/dbraw/zinc/40/59/53/729405953.db2.gz ZDMRFWXPTFIFGE-HACGYAERSA-N 1 2 355.862 3.190 20 10 FGCDLO Cc1cc(Br)cc([C@H](C)[NH2+]Cc2nnn(C(C)(C)C)n2)c1O ZINC000848561013 731181854 /nfs/dbraw/zinc/18/18/54/731181854.db2.gz NUENEPDYAOIMDH-JTQLQIEISA-N 1 2 368.279 3.055 20 10 FGCDLO C[C@H]([NH2+][C@@H]1C[C@@H](C)n2ncnc21)c1ccc(N2CCOCC2)cc1Cl ZINC000850499236 731364798 /nfs/dbraw/zinc/36/47/98/731364798.db2.gz LLTSPZCRANOCJK-IIYDPXPESA-N 1 2 361.877 3.125 20 10 FGCDLO C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000854233058 731806891 /nfs/dbraw/zinc/80/68/91/731806891.db2.gz WBDGEFUVDXQPSK-SFYZADRCSA-N 1 2 366.097 3.176 20 10 FGCDLO C[C@@](CO)([NH2+]Cc1cc(Cl)cc(F)c1O)c1cccc([N+](=O)[O-])c1 ZINC000877692224 736706474 /nfs/dbraw/zinc/70/64/74/736706474.db2.gz WEDGPXKYRWTNAB-INIZCTEOSA-N 1 2 354.765 3.090 20 10 FGCDLO C[C@@H](C[NH2+]Cc1cc(Cl)c(F)cc1O)c1ccc(S(C)(=O)=O)cc1 ZINC000877728402 736710329 /nfs/dbraw/zinc/71/03/29/736710329.db2.gz DWYNQTFYKRFEPM-NSHDSACASA-N 1 2 371.861 3.482 20 10 FGCDLO COc1cccc([C@@H](O)C[NH2+]Cc2cc(Br)cc(F)c2O)c1 ZINC000882992405 737509489 /nfs/dbraw/zinc/50/94/89/737509489.db2.gz VIBZOPRMKDJADB-HNNXBMFYSA-N 1 2 370.218 3.126 20 10 FGCDLO Oc1c(F)cc(Br)cc1C[NH2+]CCc1cnc(C2CC2)nc1 ZINC000883075755 737518436 /nfs/dbraw/zinc/51/84/36/737518436.db2.gz LCAFHFRGKSSKTR-UHFFFAOYSA-N 1 2 366.234 3.294 20 10 FGCDLO CC(C)(C[NH2+]Cc1cc(Br)cc(F)c1O)C(=O)N1CCCC1 ZINC000883190779 737533695 /nfs/dbraw/zinc/53/36/95/737533695.db2.gz LTCYNETZAXEZNG-UHFFFAOYSA-N 1 2 373.266 3.032 20 10 FGCDLO C[N@H+](Cc1nc(-c2cccs2)no1)Cc1ccc(N2CCOCC2)cc1 ZINC000070758378 494053627 /nfs/dbraw/zinc/05/36/27/494053627.db2.gz IEIBANGCQNANPQ-UHFFFAOYSA-N 1 2 370.478 3.267 20 10 FGCDLO C[N@@H+](Cc1nc(-c2cccs2)no1)Cc1ccc(N2CCOCC2)cc1 ZINC000070758378 494053630 /nfs/dbraw/zinc/05/36/30/494053630.db2.gz IEIBANGCQNANPQ-UHFFFAOYSA-N 1 2 370.478 3.267 20 10 FGCDLO Cn1ccnc1[C@@H](O)[C@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000092011284 494754752 /nfs/dbraw/zinc/75/47/52/494754752.db2.gz NNHDSWIZOQAQBG-ZBEGNZNMSA-N 1 2 370.280 3.378 20 10 FGCDLO Cn1ccnc1[C@@H](O)[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000092011284 494754755 /nfs/dbraw/zinc/75/47/55/494754755.db2.gz NNHDSWIZOQAQBG-ZBEGNZNMSA-N 1 2 370.280 3.378 20 10 FGCDLO O=C(NCCCCNc1cccc[nH+]1)NCc1ccc(N2CC=CC2)cc1 ZINC000127912078 495017066 /nfs/dbraw/zinc/01/70/66/495017066.db2.gz RXSWLEHSXINMCT-UHFFFAOYSA-N 1 2 365.481 3.149 20 10 FGCDLO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000130534282 495406545 /nfs/dbraw/zinc/40/65/45/495406545.db2.gz IUBNYLAQQRDIDY-SFHVURJKSA-N 1 2 352.482 3.094 20 10 FGCDLO COCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(Cl)c(Cl)c1O)CC2 ZINC000186103463 495856962 /nfs/dbraw/zinc/85/69/62/495856962.db2.gz KKBATDGNKZCYGY-NXEZZACHSA-N 1 2 371.268 3.103 20 10 FGCDLO COC(=O)COc1cccc(C[NH2+][C@H](C)c2ccc(F)c(F)c2O)c1 ZINC000187784624 496571176 /nfs/dbraw/zinc/57/11/76/496571176.db2.gz IBHDSXDGDPPMAC-LLVKDONJSA-N 1 2 351.349 3.073 20 10 FGCDLO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2csc([C@@H](C)OC)n2)c1 ZINC000273568824 496842646 /nfs/dbraw/zinc/84/26/46/496842646.db2.gz KGPYFMZFHOUMFY-WDEREUQCSA-N 1 2 350.440 3.194 20 10 FGCDLO OC[C@H](C[C@H](O)c1ccccc1)[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000269956837 497032437 /nfs/dbraw/zinc/03/24/37/497032437.db2.gz TWQPMGVORUZBCI-HOCLYGCPSA-N 1 2 356.249 3.273 20 10 FGCDLO Cc1ccnc(-c2n[nH]c([C@@H](C)[NH2+][C@@H](C)c3cc([N+](=O)[O-])ccc3O)n2)c1 ZINC000279620730 497489271 /nfs/dbraw/zinc/48/92/71/497489271.db2.gz YGTZTUNBFBLVSM-NWDGAFQWSA-N 1 2 368.397 3.201 20 10 FGCDLO C[C@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)c1ccc(F)c(F)c1O ZINC000191196374 497740803 /nfs/dbraw/zinc/74/08/03/497740803.db2.gz JIGMJRAEHUHCJJ-NSHDSACASA-N 1 2 350.365 3.219 20 10 FGCDLO Cn1cc[nH+]c1[C@H]1N(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1(C)C ZINC000296372853 498017512 /nfs/dbraw/zinc/01/75/12/498017512.db2.gz KAOKRSCNTCIQPN-GOSISDBHSA-N 1 2 365.481 3.089 20 10 FGCDLO C[C@H](Nc1cc(NCC2CC2)[nH+]cn1)c1ccc(N2CCOCC2)cc1 ZINC000301831414 498284033 /nfs/dbraw/zinc/28/40/33/498284033.db2.gz QPDFYGWPAHIILX-HNNXBMFYSA-N 1 2 353.470 3.308 20 10 FGCDLO C[C@H](Nc1cc(NCC2CC2)nc[nH+]1)c1ccc(N2CCOCC2)cc1 ZINC000301831414 498284036 /nfs/dbraw/zinc/28/40/36/498284036.db2.gz QPDFYGWPAHIILX-HNNXBMFYSA-N 1 2 353.470 3.308 20 10 FGCDLO CC[C@@H]([NH2+][C@@H](C(N)=O)c1ccccn1)c1cc(Cl)cc(Cl)c1O ZINC000297407637 498438027 /nfs/dbraw/zinc/43/80/27/498438027.db2.gz SZDPRWHMVACEBW-TZMCWYRMSA-N 1 2 354.237 3.361 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)NC[C@@H]3CCSC3)CC2)cc1 ZINC000365726364 498615391 /nfs/dbraw/zinc/61/53/91/498615391.db2.gz GDBRTYIJVKXTSV-HNNXBMFYSA-N 1 2 363.527 3.059 20 10 FGCDLO CC[C@H]([NH2+]CC1(S(C)(=O)=O)CC1)c1cc(Cl)cc(Cl)c1O ZINC000287115106 498634284 /nfs/dbraw/zinc/63/42/84/498634284.db2.gz QSPRGVOXUPIBAZ-LBPRGKRZSA-N 1 2 352.283 3.317 20 10 FGCDLO COc1cc(O)c(CN[C@H](C[NH+](C)C)c2ccc(Cl)cc2)cc1OC ZINC000283079967 498771803 /nfs/dbraw/zinc/77/18/03/498771803.db2.gz RDDUOAXQRPXPMU-MRXNPFEDSA-N 1 2 364.873 3.455 20 10 FGCDLO CC[C@@H]([NH2+]CC1(C(N)=O)CCOCC1)c1cc(Cl)cc(Cl)c1O ZINC000287615217 498814960 /nfs/dbraw/zinc/81/49/60/498814960.db2.gz JMMLNSXAYJDJOG-CYBMUJFWSA-N 1 2 361.269 3.022 20 10 FGCDLO C[C@H]([NH2+][C@@H]1CCO[C@]2(CCOC2)C1)c1cc(Br)cc(F)c1O ZINC000369903597 499148873 /nfs/dbraw/zinc/14/88/73/499148873.db2.gz ZMNJXTOYPQZLOH-KANYHAFZSA-N 1 2 374.250 3.283 20 10 FGCDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)NCc1ccc(N3CCCC3)cc1)CCC2 ZINC000370966681 499275733 /nfs/dbraw/zinc/27/57/33/499275733.db2.gz VARSQZZRQCVFDK-GOSISDBHSA-N 1 2 367.497 3.169 20 10 FGCDLO CC1CCN(c2ccc(CNC(=O)N[C@H]3CCc4[nH+]c[nH]c4C3)cc2)CC1 ZINC000368628397 499315455 /nfs/dbraw/zinc/31/54/55/499315455.db2.gz NIMNPSMLPVHRMQ-KRWDZBQOSA-N 1 2 367.497 3.003 20 10 FGCDLO CC1CCN(c2ccc(CNC(=O)N[C@H]3CCc4[nH]c[nH+]c4C3)cc2)CC1 ZINC000368628397 499315456 /nfs/dbraw/zinc/31/54/56/499315456.db2.gz NIMNPSMLPVHRMQ-KRWDZBQOSA-N 1 2 367.497 3.003 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)c3cc(N)nc(Cl)c3)CC2)cc1 ZINC000368895668 499344031 /nfs/dbraw/zinc/34/40/31/499344031.db2.gz ZLXXHRFBPWNMNM-UHFFFAOYSA-N 1 2 374.872 3.067 20 10 FGCDLO O=C(c1cccc(O)c1)N1CCC([NH2+]Cc2cccc(Cl)c2O)CC1 ZINC000373231285 499458967 /nfs/dbraw/zinc/45/89/67/499458967.db2.gz SDVZNSNDNDPVLE-UHFFFAOYSA-N 1 2 360.841 3.146 20 10 FGCDLO Cc1ccc2c(c1)[nH]cc2C1=CCN(c2cc(NC[C@@H](C)O)[nH+]cn2)CC1 ZINC000413084414 499911716 /nfs/dbraw/zinc/91/17/16/499911716.db2.gz USKIKBALOSGHRQ-OAHLLOKOSA-N 1 2 363.465 3.353 20 10 FGCDLO Cc1ccc2c(c1)[nH]cc2C1=CCN(c2cc(NC[C@@H](C)O)nc[nH+]2)CC1 ZINC000413084414 499911718 /nfs/dbraw/zinc/91/17/18/499911718.db2.gz USKIKBALOSGHRQ-OAHLLOKOSA-N 1 2 363.465 3.353 20 10 FGCDLO COCCc1noc(CC2CC[NH+](Cc3cccc(Cl)c3O)CC2)n1 ZINC000529639441 504750349 /nfs/dbraw/zinc/75/03/49/504750349.db2.gz CBUSCJNGMWDENS-UHFFFAOYSA-N 1 2 365.861 3.072 20 10 FGCDLO Cc1c2ccccc2n(C)c1CNC(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000553803263 505016407 /nfs/dbraw/zinc/01/64/07/505016407.db2.gz YMKIQLKAAGFZNL-SFHVURJKSA-N 1 2 351.454 3.171 20 10 FGCDLO c1cc(N2CCCC2)ccc1CNc1cc(N2CCSCC2)nc[nH+]1 ZINC000172711392 705427383 /nfs/dbraw/zinc/42/73/83/705427383.db2.gz SPTKTUHYOSCZQS-UHFFFAOYSA-N 1 2 355.511 3.242 20 10 FGCDLO c1cc(N2CCCC2)ccc1CNc1cc(N2CCSCC2)[nH+]cn1 ZINC000172711392 705427389 /nfs/dbraw/zinc/42/73/89/705427389.db2.gz SPTKTUHYOSCZQS-UHFFFAOYSA-N 1 2 355.511 3.242 20 10 FGCDLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)Cc2ccc(N)cc2)CC1 ZINC000237492547 713592463 /nfs/dbraw/zinc/59/24/63/713592463.db2.gz RBWDHENQUVROKC-HNNXBMFYSA-N 1 2 357.885 3.370 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)c1O ZINC000750045706 722752904 /nfs/dbraw/zinc/75/29/04/722752904.db2.gz VMHHUIRRJBGRSN-TZMCWYRMSA-N 1 2 351.752 3.136 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)c1O ZINC000750045706 722752905 /nfs/dbraw/zinc/75/29/05/722752905.db2.gz VMHHUIRRJBGRSN-TZMCWYRMSA-N 1 2 351.752 3.136 20 10 FGCDLO CS[C@H](CO)[C@@H](C)[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000756594639 722967372 /nfs/dbraw/zinc/96/73/72/722967372.db2.gz SNWLUVFOQDNSAR-HHURGBBESA-N 1 2 352.269 3.057 20 10 FGCDLO C[C@@H]([NH2+]C[C@H](CO)Cc1ccco1)c1cc(Br)c(F)cc1O ZINC000756659317 722968369 /nfs/dbraw/zinc/96/83/69/722968369.db2.gz DFDLIEHQDRRCGP-GHMZBOCLSA-N 1 2 372.234 3.389 20 10 FGCDLO CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000760883188 723101173 /nfs/dbraw/zinc/10/11/73/723101173.db2.gz AOTZIGPMTGAULZ-QCZZGDTMSA-N 1 2 362.239 3.138 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)c1O ZINC000790384410 723134208 /nfs/dbraw/zinc/13/42/08/723134208.db2.gz HGVUQOMFNIGVHO-SRBZOADZSA-N 1 2 353.846 3.017 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)c1O ZINC000790384410 723134209 /nfs/dbraw/zinc/13/42/09/723134209.db2.gz HGVUQOMFNIGVHO-SRBZOADZSA-N 1 2 353.846 3.017 20 10 FGCDLO COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(Br)c2O)[C@@H]1C ZINC000793187036 723408965 /nfs/dbraw/zinc/40/89/65/723408965.db2.gz UTRSQTCNDTUFAM-UHIISALHSA-N 1 2 356.260 3.222 20 10 FGCDLO Oc1cc2c(cc1C[N@@H+]1CCO[C@H](c3ccccc3Cl)C1)[C@@H](O)CO2 ZINC000768452176 723657974 /nfs/dbraw/zinc/65/79/74/723657974.db2.gz PSPTUSSXZKXKFM-HKUYNNGSSA-N 1 2 361.825 3.045 20 10 FGCDLO Oc1cc2c(cc1C[N@H+]1CCO[C@H](c3ccccc3Cl)C1)[C@@H](O)CO2 ZINC000768452176 723657977 /nfs/dbraw/zinc/65/79/77/723657977.db2.gz PSPTUSSXZKXKFM-HKUYNNGSSA-N 1 2 361.825 3.045 20 10 FGCDLO Cc1ccc(CC(=O)N2CC[NH+](Cc3cc(Cl)ccc3O)CC2)cc1 ZINC000769301031 723681831 /nfs/dbraw/zinc/68/18/31/723681831.db2.gz DWZBSAJUSFZMJD-UHFFFAOYSA-N 1 2 358.869 3.241 20 10 FGCDLO COc1c(O)c(C[NH2+]Cc2csc(-c3ccco3)n2)ccc1[N+](=O)[O-] ZINC000775038567 723955232 /nfs/dbraw/zinc/95/52/32/723955232.db2.gz WFVBAINQQRTRBN-UHFFFAOYSA-N 1 2 361.379 3.315 20 10 FGCDLO OCC[C@H](Cc1ccccc1)[NH2+]Cc1cccc(Br)c1O ZINC000799351682 724016284 /nfs/dbraw/zinc/01/62/84/724016284.db2.gz UBUVLZGFWIJMNB-OAHLLOKOSA-N 1 2 350.256 3.238 20 10 FGCDLO C[C@@H]1CCCN(c2ccc(CNC(=O)CCn3cc[nH+]c3)cc2Cl)C1 ZINC000800049482 724136001 /nfs/dbraw/zinc/13/60/01/724136001.db2.gz OYPJTJUEIQKEQB-OAHLLOKOSA-N 1 2 360.889 3.479 20 10 FGCDLO Cc1ccc(C[NH2+][C@@H](C)c2cc(Br)cc(F)c2O)c(=O)n1C ZINC000786940648 725009195 /nfs/dbraw/zinc/00/91/95/725009195.db2.gz YSSWEFAZBPRXJY-JTQLQIEISA-N 1 2 369.234 3.152 20 10 FGCDLO COC(=O)[C@](C)(C[NH2+]Cc1cc(Cl)cc(F)c1O)c1ccccc1 ZINC000787423394 725027868 /nfs/dbraw/zinc/02/78/68/725027868.db2.gz LSRRJEVULXAMTO-GOSISDBHSA-N 1 2 351.805 3.405 20 10 FGCDLO CCN(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1O ZINC000788981738 725100687 /nfs/dbraw/zinc/10/06/87/725100687.db2.gz GBSRFQCSHWYFMX-IUCAKERBSA-N 1 2 363.683 3.326 20 10 FGCDLO C[C@H]([NH2+]C[C@@H](CO)c1cccnc1)c1cc(Br)c(F)cc1O ZINC000806178380 725119843 /nfs/dbraw/zinc/11/98/43/725119843.db2.gz FZFPXOHLGMYRTL-JQWIXIFHSA-N 1 2 369.234 3.116 20 10 FGCDLO Cc1noc([C@H]2CCC[N@@H+]2Cc2cc(C)cc(Br)c2O)n1 ZINC000809720416 725262320 /nfs/dbraw/zinc/26/23/20/725262320.db2.gz BVKMFMZJIUEILK-CYBMUJFWSA-N 1 2 352.232 3.492 20 10 FGCDLO Cc1noc([C@H]2CCC[N@H+]2Cc2cc(C)cc(Br)c2O)n1 ZINC000809720416 725262322 /nfs/dbraw/zinc/26/23/22/725262322.db2.gz BVKMFMZJIUEILK-CYBMUJFWSA-N 1 2 352.232 3.492 20 10 FGCDLO Oc1cc(F)c(Cl)cc1C[N@@H+]1CCCN(Cc2cscn2)CC1 ZINC000816502439 727168852 /nfs/dbraw/zinc/16/88/52/727168852.db2.gz AXJCXPADPVUAJB-UHFFFAOYSA-N 1 2 355.866 3.349 20 10 FGCDLO Oc1cc(F)c(Cl)cc1C[N@H+]1CCCN(Cc2cscn2)CC1 ZINC000816502439 727168857 /nfs/dbraw/zinc/16/88/57/727168857.db2.gz AXJCXPADPVUAJB-UHFFFAOYSA-N 1 2 355.866 3.349 20 10 FGCDLO CCN(CC)c1ccc(C[N@@H+]2CCCC[C@H]2CS(C)(=O)=O)cc1F ZINC000824914480 729365038 /nfs/dbraw/zinc/36/50/38/729365038.db2.gz SGVTYSZDLQXPJS-INIZCTEOSA-N 1 2 356.507 3.071 20 10 FGCDLO CCN(CC)c1ccc(C[N@H+]2CCCC[C@H]2CS(C)(=O)=O)cc1F ZINC000824914480 729365039 /nfs/dbraw/zinc/36/50/39/729365039.db2.gz SGVTYSZDLQXPJS-INIZCTEOSA-N 1 2 356.507 3.071 20 10 FGCDLO Oc1cc(Br)ccc1C[NH+]1CCN(c2cccc(F)n2)CC1 ZINC000826061939 729403962 /nfs/dbraw/zinc/40/39/62/729403962.db2.gz GUVIGRCPZIBIPU-UHFFFAOYSA-N 1 2 366.234 3.011 20 10 FGCDLO COC(=O)[C@H]([NH2+]Cc1cc(Cl)c(C)cc1O)[C@H]1CCC[C@H](OC)C1 ZINC000826143422 729405922 /nfs/dbraw/zinc/40/59/22/729405922.db2.gz ZDMRFWXPTFIFGE-RVSPLBMKSA-N 1 2 355.862 3.190 20 10 FGCDLO C[C@H]([NH2+][C@H](COC(N)=O)Cc1ccccc1)c1cc(F)cc(F)c1O ZINC000840864923 730185132 /nfs/dbraw/zinc/18/51/32/730185132.db2.gz RLQNMXREPRTJOZ-FZMZJTMJSA-N 1 2 350.365 3.442 20 10 FGCDLO CC[NH2+][C@H](C)C[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC000841065709 730207541 /nfs/dbraw/zinc/20/75/41/730207541.db2.gz LSOJUIYXJUSDNL-MRVPVSSYSA-N 1 2 366.097 3.005 20 10 FGCDLO COc1cc(Br)cc(C[N@H+](C)CCN2CCCCC2)c1O ZINC000846115312 730930050 /nfs/dbraw/zinc/93/00/50/730930050.db2.gz UHPLAQXFHOBEJM-UHFFFAOYSA-N 1 2 357.292 3.081 20 10 FGCDLO COc1cc(Br)cc(C[N@@H+](C)CCN2CCCCC2)c1O ZINC000846115312 730930054 /nfs/dbraw/zinc/93/00/54/730930054.db2.gz UHPLAQXFHOBEJM-UHFFFAOYSA-N 1 2 357.292 3.081 20 10 FGCDLO COc1ccnc(C[NH2+]Cc2cc(C)cc(Br)c2O)c1F ZINC000850380924 731350640 /nfs/dbraw/zinc/35/06/40/731350640.db2.gz QQKOFRJUQLPZAJ-UHFFFAOYSA-N 1 2 355.207 3.296 20 10 FGCDLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2c(O)cccc2Br)s1 ZINC000858182776 732189954 /nfs/dbraw/zinc/18/99/54/732189954.db2.gz HNPKZSCVZLQXFP-QMMMGPOBSA-N 1 2 371.256 3.249 20 10 FGCDLO COC(=O)C1=CC[C@@H]([NH2+][C@@H](C)c2cc(Br)cc(F)c2O)C1 ZINC000858471185 732218133 /nfs/dbraw/zinc/21/81/33/732218133.db2.gz BTQSGRHNXFAQNA-GZMMTYOYSA-N 1 2 358.207 3.206 20 10 FGCDLO C[C@@H]([NH2+][C@H]1CCN(C2CCC2)C1=O)c1cc(Br)cc(F)c1O ZINC000858602593 732230652 /nfs/dbraw/zinc/23/06/52/732230652.db2.gz DECVDXGXJRGSON-OTYXRUKQSA-N 1 2 371.250 3.098 20 10 FGCDLO CC[C@@H]([NH2+]Cc1nnc(C2CCOCC2)[nH]1)c1cccc(Cl)c1O ZINC000866438800 733349144 /nfs/dbraw/zinc/34/91/44/733349144.db2.gz BQVQPPYAIBFQDJ-CQSZACIVSA-N 1 2 350.850 3.299 20 10 FGCDLO COCCc1cc[nH+]c(NCc2cc(Br)cc(F)c2O)c1 ZINC000883117871 737525894 /nfs/dbraw/zinc/52/58/94/737525894.db2.gz JXSFRTJSGOASDV-UHFFFAOYSA-N 1 2 355.207 3.490 20 10 FGCDLO C[S@](=O)[C@H]1CCC[C@@H]([NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000883166961 737531506 /nfs/dbraw/zinc/53/15/06/737531506.db2.gz MRSISCXTEDEFNH-JGRMJRGVSA-N 1 2 364.280 3.073 20 10 FGCDLO Cc1ccc(N2CCC(C(=O)NCc3cccc(Cl)c3O)CC2)[nH+]c1 ZINC000890757304 739827469 /nfs/dbraw/zinc/82/74/69/739827469.db2.gz BTZICWWEFTYTGY-UHFFFAOYSA-N 1 2 359.857 3.282 20 10 FGCDLO COc1ccc(C[N@H+](C)Cc2nc(-c3cccs3)no2)c(O)c1OC ZINC000894388334 742276896 /nfs/dbraw/zinc/27/68/96/742276896.db2.gz BQYYLINQBGDQTL-UHFFFAOYSA-N 1 2 361.423 3.153 20 10 FGCDLO COc1ccc(C[N@@H+](C)Cc2nc(-c3cccs3)no2)c(O)c1OC ZINC000894388334 742276900 /nfs/dbraw/zinc/27/69/00/742276900.db2.gz BQYYLINQBGDQTL-UHFFFAOYSA-N 1 2 361.423 3.153 20 10 FGCDLO OC1CCN(c2ccc(C[NH2+]Cc3csc(C(F)(F)F)n3)cc2)CC1 ZINC000895452224 742413992 /nfs/dbraw/zinc/41/39/92/742413992.db2.gz YKIAAUKEEFLLKM-UHFFFAOYSA-N 1 2 371.428 3.413 20 10 FGCDLO CC(C)(C)OC(=O)Nc1ccc(C[NH2+]Cc2cccc(Cl)c2O)nn1 ZINC000898214745 742759360 /nfs/dbraw/zinc/75/93/60/742759360.db2.gz GPTSUFQLJSBGKN-UHFFFAOYSA-N 1 2 364.833 3.472 20 10 FGCDLO C[C@@H]([NH2+]Cc1cnn(CCF)c1)c1cc(Br)cc(F)c1O ZINC000903274185 743833772 /nfs/dbraw/zinc/83/37/72/743833772.db2.gz JJABGYBRJSUVDR-SECBINFHSA-N 1 2 360.202 3.311 20 10 FGCDLO Oc1c(F)cc(Br)cc1C[NH2+]C[C@@H]1CCC2(CCOCC2)O1 ZINC000922804928 759008424 /nfs/dbraw/zinc/00/84/24/759008424.db2.gz HFXYLQIOGYWACB-ZDUSSCGKSA-N 1 2 374.250 3.112 20 10 FGCDLO Cc1ccc2[nH+]c(CNC(=O)N(C)Cc3ccc(N(C)C)cc3)cn2c1 ZINC000057228240 494686765 /nfs/dbraw/zinc/68/67/65/494686765.db2.gz ZMCWDHGGWIXTFJ-UHFFFAOYSA-N 1 2 351.454 3.050 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)CC[C@H]3CC[C@H](C)O3)CC2)cc1 ZINC000075197052 494706391 /nfs/dbraw/zinc/70/63/91/494706391.db2.gz GRPYXIHRPZADFO-OXJNMPFZSA-N 1 2 360.498 3.470 20 10 FGCDLO Cc1ccc2[nH+]c(CSCC(=O)N(C)Cc3ccccc3O)cn2c1 ZINC000136951475 495412448 /nfs/dbraw/zinc/41/24/48/495412448.db2.gz HYCHYBOEFPKGMT-UHFFFAOYSA-N 1 2 355.463 3.240 20 10 FGCDLO COc1ccc([NH+]2CCC(Nc3ccc(S(C)(=O)=O)cc3)CC2)cc1 ZINC000159373923 495719836 /nfs/dbraw/zinc/71/98/36/495719836.db2.gz KQEPGMNZGQHXAB-UHFFFAOYSA-N 1 2 360.479 3.180 20 10 FGCDLO COc1cc(O)c(C[N@@H+]2CCC[C@@H]2c2nnc3n2CCCCC3)cc1OC ZINC000159856284 495825121 /nfs/dbraw/zinc/82/51/21/495825121.db2.gz VLNYIUMGPUPLML-OAHLLOKOSA-N 1 2 372.469 3.064 20 10 FGCDLO COc1cc(O)c(C[N@H+]2CCC[C@@H]2c2nnc3n2CCCCC3)cc1OC ZINC000159856284 495825123 /nfs/dbraw/zinc/82/51/23/495825123.db2.gz VLNYIUMGPUPLML-OAHLLOKOSA-N 1 2 372.469 3.064 20 10 FGCDLO C[C@@H]([NH2+]CC1(CS(C)(=O)=O)CC1)c1ccc(Cl)c(Cl)c1O ZINC000186090247 495851273 /nfs/dbraw/zinc/85/12/73/495851273.db2.gz CBPGJZOUJWAEKT-SECBINFHSA-N 1 2 352.283 3.174 20 10 FGCDLO COc1cc(N(C)Cc2[nH+]ccn2CC(F)(F)F)cc(OC)c1OC ZINC000172895422 496480492 /nfs/dbraw/zinc/48/04/92/496480492.db2.gz NGZYVXWZGSFWEQ-UHFFFAOYSA-N 1 2 359.348 3.108 20 10 FGCDLO C[C@@H]([NH2+][C@H](C)c1ccc(F)c(F)c1O)c1ccc(S(C)(=O)=O)cc1 ZINC000187669504 496528449 /nfs/dbraw/zinc/52/84/49/496528449.db2.gz CMZGIOSNYOPRGN-GHMZBOCLSA-N 1 2 355.406 3.486 20 10 FGCDLO COc1c(O)c(C[N@@H+]2C[C@@H](C)O[C@@H](c3ccsc3)C2)ccc1[N+](=O)[O-] ZINC000278166007 497024837 /nfs/dbraw/zinc/02/48/37/497024837.db2.gz FESOUENRGZMSTD-IAQYHMDHSA-N 1 2 364.423 3.333 20 10 FGCDLO COc1c(O)c(C[N@H+]2C[C@@H](C)O[C@@H](c3ccsc3)C2)ccc1[N+](=O)[O-] ZINC000278166007 497024844 /nfs/dbraw/zinc/02/48/44/497024844.db2.gz FESOUENRGZMSTD-IAQYHMDHSA-N 1 2 364.423 3.333 20 10 FGCDLO COc1c(O)c(C[N@@H+]2CCO[C@H](c3ccccc3F)C2)ccc1[N+](=O)[O-] ZINC000278253186 497052480 /nfs/dbraw/zinc/05/24/80/497052480.db2.gz PIXRQUCZZYDPSH-INIZCTEOSA-N 1 2 362.357 3.022 20 10 FGCDLO COc1c(O)c(C[N@H+]2CCO[C@H](c3ccccc3F)C2)ccc1[N+](=O)[O-] ZINC000278253186 497052485 /nfs/dbraw/zinc/05/24/85/497052485.db2.gz PIXRQUCZZYDPSH-INIZCTEOSA-N 1 2 362.357 3.022 20 10 FGCDLO CN(C)c1ccc(C[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000272474308 497639474 /nfs/dbraw/zinc/63/94/74/497639474.db2.gz AYQFNUQUESYBCA-LJQANCHMSA-N 1 2 365.437 3.274 20 10 FGCDLO Oc1cc2c(cc1C[N@@H+]1CCCC[C@@H]1c1nnc(C3CCC3)o1)OCO2 ZINC000288599550 497841855 /nfs/dbraw/zinc/84/18/55/497841855.db2.gz MMUBABHCALQCER-CQSZACIVSA-N 1 2 357.410 3.499 20 10 FGCDLO Oc1cc2c(cc1C[N@H+]1CCCC[C@@H]1c1nnc(C3CCC3)o1)OCO2 ZINC000288599550 497841864 /nfs/dbraw/zinc/84/18/64/497841864.db2.gz MMUBABHCALQCER-CQSZACIVSA-N 1 2 357.410 3.499 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)NCC3(SC)CC3)CC2)cc1 ZINC000364825352 498160429 /nfs/dbraw/zinc/16/04/29/498160429.db2.gz XRVNTDONGVCZKM-UHFFFAOYSA-N 1 2 363.527 3.201 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)[C@H]3CCO[C@H]3C(C)C)CC2)cc1 ZINC000365037735 498267394 /nfs/dbraw/zinc/26/73/94/498267394.db2.gz BEYLVVHDRTWONJ-PMACEKPBSA-N 1 2 360.498 3.184 20 10 FGCDLO Oc1ccc2ccccc2c1C[N@H+]1CCn2c(CC(F)(F)F)nnc2C1 ZINC000365829001 498658439 /nfs/dbraw/zinc/65/84/39/498658439.db2.gz HJDRIKHNZXQRJH-UHFFFAOYSA-N 1 2 362.355 3.258 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)[C@@H](C)c3cccnc3)CC2)cc1 ZINC000363302884 498752322 /nfs/dbraw/zinc/75/23/22/498752322.db2.gz LVUUFZGOJFTRKC-INIZCTEOSA-N 1 2 353.466 3.321 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)CCc3c(C)noc3C)CC2)cc1 ZINC000363594269 498895878 /nfs/dbraw/zinc/89/58/78/498895878.db2.gz YIYRMVQPEUYZCV-UHFFFAOYSA-N 1 2 371.481 3.360 20 10 FGCDLO COc1ccc2c(c1)[C@H](NC(=O)OC(C)(C)C)CCN2Cc1c[nH+]cn1C ZINC000370461989 499222812 /nfs/dbraw/zinc/22/28/12/499222812.db2.gz QZVKEESMVLGHSI-QGZVFWFLSA-N 1 2 372.469 3.405 20 10 FGCDLO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000370542035 499230153 /nfs/dbraw/zinc/23/01/53/499230153.db2.gz MWLVULTWORWFRK-GOSISDBHSA-N 1 2 352.482 3.479 20 10 FGCDLO CCN(CC)c1ccc(CNC(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)cc1 ZINC000370965101 499275787 /nfs/dbraw/zinc/27/57/87/499275787.db2.gz KGIGHHSMRQHFBZ-GOSISDBHSA-N 1 2 369.513 3.415 20 10 FGCDLO C[C@@H]([NH2+][C@@H]1CCN(c2ccn(C)n2)C1)c1ccc(Cl)c(Cl)c1O ZINC000371877657 499374742 /nfs/dbraw/zinc/37/47/42/499374742.db2.gz XYWBKHVPPXYWOS-GHMZBOCLSA-N 1 2 355.269 3.362 20 10 FGCDLO COc1cc(Br)cc(CN2CCC[C@H]2c2[nH]cc[nH+]2)c1O ZINC000375354998 499510132 /nfs/dbraw/zinc/51/01/32/499510132.db2.gz VIQKRXMMYLUJHT-LBPRGKRZSA-N 1 2 352.232 3.224 20 10 FGCDLO CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000376426020 499607736 /nfs/dbraw/zinc/60/77/36/499607736.db2.gz FUJWCSYEAXXREQ-GOSISDBHSA-N 1 2 369.513 3.356 20 10 FGCDLO Fc1cc(C[N@@H+]2CCO[C@@H](c3cccs3)C2)ccc1N1CCOCC1 ZINC000092594066 700438060 /nfs/dbraw/zinc/43/80/60/700438060.db2.gz WBFYNMTXJNTXKK-GOSISDBHSA-N 1 2 362.470 3.297 20 10 FGCDLO Fc1cc(C[N@H+]2CCO[C@@H](c3cccs3)C2)ccc1N1CCOCC1 ZINC000092594066 700438061 /nfs/dbraw/zinc/43/80/61/700438061.db2.gz WBFYNMTXJNTXKK-GOSISDBHSA-N 1 2 362.470 3.297 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000157033443 705141267 /nfs/dbraw/zinc/14/12/67/705141267.db2.gz YAMUWBIJSRETGN-CQSZACIVSA-N 1 2 368.861 3.347 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000157033443 705141269 /nfs/dbraw/zinc/14/12/69/705141269.db2.gz YAMUWBIJSRETGN-CQSZACIVSA-N 1 2 368.861 3.347 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@@H+](C)[C@H]2CCCC[C@H]2S(C)(=O)=O)c1O ZINC000246205810 713619501 /nfs/dbraw/zinc/61/95/01/713619501.db2.gz XPGVQQLDVJDOGT-JKSUJKDBSA-N 1 2 373.902 3.036 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@H+](C)[C@H]2CCCC[C@H]2S(C)(=O)=O)c1O ZINC000246205810 713619505 /nfs/dbraw/zinc/61/95/05/713619505.db2.gz XPGVQQLDVJDOGT-JKSUJKDBSA-N 1 2 373.902 3.036 20 10 FGCDLO Cc1nn(C)c(C)c1C[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708089911 722412667 /nfs/dbraw/zinc/41/26/67/722412667.db2.gz MVAFEEAWVYBARU-UHFFFAOYSA-N 1 2 358.667 3.448 20 10 FGCDLO CCOC(=O)[C@@H](CC1CC1)[NH2+]Cc1cc(Br)cc(C)c1O ZINC000753572213 722905189 /nfs/dbraw/zinc/90/51/89/722905189.db2.gz RTPBGZKXQTZCIS-CQSZACIVSA-N 1 2 356.260 3.285 20 10 FGCDLO C[C@H]([NH2+]CCC(=O)N1CCCCC1)c1cc(Br)c(F)cc1O ZINC000756430167 722964493 /nfs/dbraw/zinc/96/44/93/722964493.db2.gz IQJYWIPSESCRMU-NSHDSACASA-N 1 2 373.266 3.347 20 10 FGCDLO C[C@@H]([NH2+]CC1(N2CCCCC2)CCOCC1)c1cc(F)cc(F)c1O ZINC000756706373 722968886 /nfs/dbraw/zinc/96/88/86/722968886.db2.gz PHTHXGNPXLFGFL-CQSZACIVSA-N 1 2 354.441 3.356 20 10 FGCDLO CC1CC[NH+](Cc2csc(NC(=O)c3c(F)ccc(O)c3O)n2)CC1 ZINC000790069939 723102579 /nfs/dbraw/zinc/10/25/79/723102579.db2.gz GPDLESFPYBFHSM-UHFFFAOYSA-N 1 2 365.430 3.178 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)c1O ZINC000790384412 723134104 /nfs/dbraw/zinc/13/41/04/723134104.db2.gz HGVUQOMFNIGVHO-WHWRDJHUSA-N 1 2 353.846 3.017 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)c1O ZINC000790384412 723134106 /nfs/dbraw/zinc/13/41/06/723134106.db2.gz HGVUQOMFNIGVHO-WHWRDJHUSA-N 1 2 353.846 3.017 20 10 FGCDLO CN(C)c1ccc(CNC(=O)C[N@H+](C)Cc2ccc(Cl)c(F)c2)cc1 ZINC000762926717 723292926 /nfs/dbraw/zinc/29/29/26/723292926.db2.gz DOGAKGWNYGDPPH-UHFFFAOYSA-N 1 2 363.864 3.293 20 10 FGCDLO CN(C)c1ccc(CNC(=O)C[N@@H+](C)Cc2ccc(Cl)c(F)c2)cc1 ZINC000762926717 723292931 /nfs/dbraw/zinc/29/29/31/723292931.db2.gz DOGAKGWNYGDPPH-UHFFFAOYSA-N 1 2 363.864 3.293 20 10 FGCDLO CN(C)c1ccc(C[N@@H+]2CCO[C@@H]([C@H]3CCCO3)C2)c(C(F)(F)F)c1 ZINC000792839952 723373407 /nfs/dbraw/zinc/37/34/07/723373407.db2.gz RACNMZQTHAMIES-IAGOWNOFSA-N 1 2 358.404 3.151 20 10 FGCDLO CN(C)c1ccc(C[N@H+]2CCO[C@@H]([C@H]3CCCO3)C2)c(C(F)(F)F)c1 ZINC000792839952 723373409 /nfs/dbraw/zinc/37/34/09/723373409.db2.gz RACNMZQTHAMIES-IAGOWNOFSA-N 1 2 358.404 3.151 20 10 FGCDLO C[C@H]([NH2+]CC1([S@](C)=O)CCC1)c1cc(Br)cc(F)c1O ZINC000798004604 723897744 /nfs/dbraw/zinc/89/77/44/723897744.db2.gz NUADWMPVUQKVER-LXGOIASLSA-N 1 2 364.280 3.246 20 10 FGCDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)nc1 ZINC000775710869 724029123 /nfs/dbraw/zinc/02/91/23/724029123.db2.gz NTXOUGGOCJDIIQ-LBPRGKRZSA-N 1 2 366.780 3.174 20 10 FGCDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cc(Cl)cc(F)c3O)C2)nc1 ZINC000775710869 724029125 /nfs/dbraw/zinc/02/91/25/724029125.db2.gz NTXOUGGOCJDIIQ-LBPRGKRZSA-N 1 2 366.780 3.174 20 10 FGCDLO COc1cc(C)[nH+]c(/C=C2/SC(=S)N(CCc3ccccn3)C2=O)c1 ZINC000776726809 724174697 /nfs/dbraw/zinc/17/46/97/724174697.db2.gz NZNPFFOKNLQOKL-LFIBNONCSA-N 1 2 371.487 3.238 20 10 FGCDLO CC[C@H]([NH2+]C[C@H](N1CCOCC1)C(F)(F)F)c1cccc(Cl)c1O ZINC000806166076 725119154 /nfs/dbraw/zinc/11/91/54/725119154.db2.gz OYWGZROSOWYPJS-KBPBESRZSA-N 1 2 366.811 3.349 20 10 FGCDLO CC[N@H+](Cc1cc(Br)cc(Br)c1O)[C@@H](C)CO ZINC000816653604 727185576 /nfs/dbraw/zinc/18/55/76/727185576.db2.gz AKCPPJDSIOWVHV-QMMMGPOBSA-N 1 2 367.081 3.120 20 10 FGCDLO CC[N@@H+](Cc1cc(Br)cc(Br)c1O)[C@@H](C)CO ZINC000816653604 727185579 /nfs/dbraw/zinc/18/55/79/727185579.db2.gz AKCPPJDSIOWVHV-QMMMGPOBSA-N 1 2 367.081 3.120 20 10 FGCDLO C[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1cc(Br)cc(Cl)c1[O-] ZINC000817977019 727290078 /nfs/dbraw/zinc/29/00/78/727290078.db2.gz ZKMIOQDYJDSKNJ-JEZHCXPESA-N 1 2 351.647 3.159 20 10 FGCDLO CCn1nc(C)c(C[NH2+][C@@H](C)c2cc(Br)c(F)cc2O)n1 ZINC000818345357 727308566 /nfs/dbraw/zinc/30/85/66/727308566.db2.gz LPENFJWXKCOSBD-QMMMGPOBSA-N 1 2 357.227 3.064 20 10 FGCDLO Cc1cc(O)c(C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)cc1Cl ZINC000824933560 729365591 /nfs/dbraw/zinc/36/55/91/729365591.db2.gz HDMZRBDJVFOJOS-YOEHRIQHSA-N 1 2 351.830 3.272 20 10 FGCDLO Cc1cc(O)c(C[N@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)cc1Cl ZINC000824933560 729365593 /nfs/dbraw/zinc/36/55/93/729365593.db2.gz HDMZRBDJVFOJOS-YOEHRIQHSA-N 1 2 351.830 3.272 20 10 FGCDLO Cc1cc(C(=O)C[N@@H+](C)CC2(CO)CC2)c(C)n1-c1ccc(Cl)cn1 ZINC000829106288 729457984 /nfs/dbraw/zinc/45/79/84/729457984.db2.gz HQQSXTRMUBGLMH-UHFFFAOYSA-N 1 2 361.873 3.030 20 10 FGCDLO Cc1cc(C(=O)C[N@H+](C)CC2(CO)CC2)c(C)n1-c1ccc(Cl)cn1 ZINC000829106288 729457986 /nfs/dbraw/zinc/45/79/86/729457986.db2.gz HQQSXTRMUBGLMH-UHFFFAOYSA-N 1 2 361.873 3.030 20 10 FGCDLO CC[C@@H]([NH2+]Cc1nn(C)cc1Br)c1ccc(N(C)C)cc1 ZINC000834882448 729842304 /nfs/dbraw/zinc/84/23/04/729842304.db2.gz ADZAGIJTUPECGZ-OAHLLOKOSA-N 1 2 351.292 3.490 20 10 FGCDLO Cc1cc(O)c(C[NH+]2CCN(C(=O)c3cccc(O)c3)CC2)c(Cl)c1 ZINC000840916825 730191049 /nfs/dbraw/zinc/19/10/49/730191049.db2.gz XXRYVIWFWBAORX-UHFFFAOYSA-N 1 2 360.841 3.018 20 10 FGCDLO C[C@H]([NH2+][C@H]1C[C@H](C)n2ncnc21)c1ccc(N2CCOCC2)cc1Cl ZINC000850499233 731364890 /nfs/dbraw/zinc/36/48/90/731364890.db2.gz LLTSPZCRANOCJK-DCGLDWPTSA-N 1 2 361.877 3.125 20 10 FGCDLO CC(C)(C)c1nnc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)s1 ZINC000877085229 736185786 /nfs/dbraw/zinc/18/57/86/736185786.db2.gz RTQKFEYPZGVMQC-UHFFFAOYSA-N 1 2 360.527 3.087 20 10 FGCDLO CN(C)C(=O)[C@H]1CCC[C@H]([NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000883002775 737510639 /nfs/dbraw/zinc/51/06/39/737510639.db2.gz OOGGMCPUZBYDEL-GWCFXTLKSA-N 1 2 373.266 3.030 20 10 FGCDLO COCC1([NH2+]Cc2cc(Cl)cc(Br)c2O)CCOCC1 ZINC000883130099 737527703 /nfs/dbraw/zinc/52/77/03/737527703.db2.gz QRGBOARWTRCKRX-UHFFFAOYSA-N 1 2 364.667 3.093 20 10 FGCDLO Cc1noc([C@@H]2CCC[N@H+](Cc3cc(Br)cc(F)c3O)C2)n1 ZINC000893962952 742219382 /nfs/dbraw/zinc/21/93/82/742219382.db2.gz UORSJQTWZJQTMD-SNVBAGLBSA-N 1 2 370.222 3.365 20 10 FGCDLO Cc1noc([C@@H]2CCC[N@@H+](Cc3cc(Br)cc(F)c3O)C2)n1 ZINC000893962952 742219384 /nfs/dbraw/zinc/21/93/84/742219384.db2.gz UORSJQTWZJQTMD-SNVBAGLBSA-N 1 2 370.222 3.365 20 10 FGCDLO COc1ccc(C[N@H+]([C@@H](C)C(=O)OC(C)(C)C)C2CC2)c(O)c1OC ZINC000894897752 742349627 /nfs/dbraw/zinc/34/96/27/742349627.db2.gz OFZTUQITRCLBOH-LBPRGKRZSA-N 1 2 351.443 3.104 20 10 FGCDLO COc1ccc(C[N@@H+]([C@@H](C)C(=O)OC(C)(C)C)C2CC2)c(O)c1OC ZINC000894897752 742349634 /nfs/dbraw/zinc/34/96/34/742349634.db2.gz OFZTUQITRCLBOH-LBPRGKRZSA-N 1 2 351.443 3.104 20 10 FGCDLO COC(=O)c1cnc([C@H]2CC[N@H+](Cc3cc(Cl)cc(F)c3O)C2)s1 ZINC000896968498 742624219 /nfs/dbraw/zinc/62/42/19/742624219.db2.gz AXKGTPQWBCPUAS-VIFPVBQESA-N 1 2 370.833 3.417 20 10 FGCDLO COC(=O)c1cnc([C@H]2CC[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)s1 ZINC000896968498 742624221 /nfs/dbraw/zinc/62/42/21/742624221.db2.gz AXKGTPQWBCPUAS-VIFPVBQESA-N 1 2 370.833 3.417 20 10 FGCDLO CCOC(=O)C1([C@H](C)[NH2+]Cc2cc(Cl)cc(F)c2O)CCOCC1 ZINC000897743090 742710034 /nfs/dbraw/zinc/71/00/34/742710034.db2.gz RGDFJWJDHKBLOU-NSHDSACASA-N 1 2 359.825 3.023 20 10 FGCDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000900339220 743097915 /nfs/dbraw/zinc/09/79/15/743097915.db2.gz FOXSQJGLCDZLKA-MRXNPFEDSA-N 1 2 359.451 3.354 20 10 FGCDLO Oc1c(F)cc(Br)cc1C[NH2+][C@H](c1ncccn1)C1CC1 ZINC000922578292 758954989 /nfs/dbraw/zinc/95/49/89/758954989.db2.gz ZWFRHCIXFSYUPE-ZDUSSCGKSA-N 1 2 352.207 3.325 20 10 FGCDLO Oc1c(F)cc(Br)cc1C[NH2+]C[C@H]1CCC2(CCOCC2)O1 ZINC000922804927 759008299 /nfs/dbraw/zinc/00/82/99/759008299.db2.gz HFXYLQIOGYWACB-CYBMUJFWSA-N 1 2 374.250 3.112 20 10 FGCDLO CN(C)c1ccc(C[NH2+]C2(c3ncc(Br)cn3)CCC2)cc1 ZINC000923000713 759047094 /nfs/dbraw/zinc/04/70/94/759047094.db2.gz PAQMNEZDJIJNRH-UHFFFAOYSA-N 1 2 361.287 3.474 20 10 FGCDLO Cc1cccc2[nH+]c(CNC(=O)NCc3ccc(N4CCCC4)cc3)cn21 ZINC000069078968 493917415 /nfs/dbraw/zinc/91/74/15/493917415.db2.gz YRCALIMYWGCXRZ-UHFFFAOYSA-N 1 2 363.465 3.242 20 10 FGCDLO Cc1cccc2[nH+]c(CNC(=O)N(C)Cc3ccc(N(C)C)cc3)cn21 ZINC000069503768 493977501 /nfs/dbraw/zinc/97/75/01/493977501.db2.gz XJIIJLNAMYFYFS-UHFFFAOYSA-N 1 2 351.454 3.050 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(O)(C(F)(F)F)CC2)c1O ZINC000089970457 494416583 /nfs/dbraw/zinc/41/65/83/494416583.db2.gz FHUOFROSIRPGJA-UHFFFAOYSA-N 1 2 351.752 3.137 20 10 FGCDLO Cc1ccn2cc(CNC(=O)NCc3ccc(N4CCCC4)cc3)[nH+]c2c1 ZINC000080103105 494595301 /nfs/dbraw/zinc/59/53/01/494595301.db2.gz JVSDSLMPRUQDHF-UHFFFAOYSA-N 1 2 363.465 3.242 20 10 FGCDLO CC(=O)N(c1nc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)cs1)C1CC1 ZINC000114801757 495427019 /nfs/dbraw/zinc/42/70/19/495427019.db2.gz KYGKWNHZXNBYSB-UHFFFAOYSA-N 1 2 358.511 3.356 20 10 FGCDLO CC(=O)N(c1nc(C[N@H+](C)Cc2ccc(N(C)C)cc2)cs1)C1CC1 ZINC000114801757 495427026 /nfs/dbraw/zinc/42/70/26/495427026.db2.gz KYGKWNHZXNBYSB-UHFFFAOYSA-N 1 2 358.511 3.356 20 10 FGCDLO C[C@H]([NH2+]CC1(N2CCCCC2)CCOCC1)c1ccc(F)c(F)c1O ZINC000187780050 496569083 /nfs/dbraw/zinc/56/90/83/496569083.db2.gz HNJCRMSZLXKXSY-AWEZNQCLSA-N 1 2 354.441 3.356 20 10 FGCDLO Cc1[nH+]c2ccccc2n1C1CCN(C(=O)c2cccc(O)c2O)CC1 ZINC000279744603 497527945 /nfs/dbraw/zinc/52/79/45/497527945.db2.gz BJIQOVNTJLOGIM-UHFFFAOYSA-N 1 2 351.406 3.233 20 10 FGCDLO C[C@H](c1cccc(NC(=O)/C=C/c2ccc(O)c(O)c2)c1)[NH+]1CCOCC1 ZINC000272435553 497628170 /nfs/dbraw/zinc/62/81/70/497628170.db2.gz LYGCOORKGITRKQ-PMGBHYCQSA-N 1 2 368.433 3.143 20 10 FGCDLO CN(C)c1ccc(C[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000272474305 497639265 /nfs/dbraw/zinc/63/92/65/497639265.db2.gz AYQFNUQUESYBCA-IBGZPJMESA-N 1 2 365.437 3.274 20 10 FGCDLO CN(C)c1ccc(CN(Cc2ccco2)C(=O)CCc2c[nH+]cn2C)cc1 ZINC000281045346 498000155 /nfs/dbraw/zinc/00/01/55/498000155.db2.gz ZUHYEJLPQHPZCK-UHFFFAOYSA-N 1 2 366.465 3.241 20 10 FGCDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCc1ccc(N(C)C)c(F)c1)C2 ZINC000364631166 498059575 /nfs/dbraw/zinc/05/95/75/498059575.db2.gz NCZMDSARWGMAQB-AWEZNQCLSA-N 1 2 358.461 3.160 20 10 FGCDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCc1ccc(N(C)C)c(F)c1)CC2 ZINC000364631166 498059581 /nfs/dbraw/zinc/05/95/81/498059581.db2.gz NCZMDSARWGMAQB-AWEZNQCLSA-N 1 2 358.461 3.160 20 10 FGCDLO CCC1(C(=O)N(C)C2CC[NH+](c3ccc(OC)cc3)CC2)CCOCC1 ZINC000364995721 498246860 /nfs/dbraw/zinc/24/68/60/498246860.db2.gz PHVLUGKAWDWMCK-UHFFFAOYSA-N 1 2 360.498 3.329 20 10 FGCDLO Cc1cc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2O)cc(N2CCCC2)n1 ZINC000289685805 498248439 /nfs/dbraw/zinc/24/84/39/498248439.db2.gz HYKBZLGIZFGSHY-AWEZNQCLSA-N 1 2 356.426 3.455 20 10 FGCDLO C[C@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)c1ccc(Cl)c(Cl)c1O ZINC000286876889 498538745 /nfs/dbraw/zinc/53/87/45/498538745.db2.gz CEOAXVUIIBDWMU-VHSXEESVSA-N 1 2 352.283 3.174 20 10 FGCDLO CC[C@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1cc(Cl)cc(Cl)c1O ZINC000287899677 498897943 /nfs/dbraw/zinc/89/79/43/498897943.db2.gz ZODDLYVAAIRHAV-RNCFNFMXSA-N 1 2 352.283 3.174 20 10 FGCDLO Cc1cc(NCc2ccc(N3CCOCC3)cc2)nc(-c2cccnc2)[nH+]1 ZINC000299047883 498950701 /nfs/dbraw/zinc/95/07/01/498950701.db2.gz GGKSMBVNCMVQGE-UHFFFAOYSA-N 1 2 361.449 3.296 20 10 FGCDLO CN1C(=O)CSC12CC[NH+](Cc1cc(Cl)cc(Cl)c1O)CC2 ZINC000363863018 499029523 /nfs/dbraw/zinc/02/95/23/499029523.db2.gz AGOHDJVPUNGQPU-UHFFFAOYSA-N 1 2 361.294 3.196 20 10 FGCDLO COc1ccc(N2CCC(N(C)C(=O)Nc3cc(C)[nH+]cc3C)CC2)cc1 ZINC000368423183 499294432 /nfs/dbraw/zinc/29/44/32/499294432.db2.gz BLDCUVVEMDXUJA-UHFFFAOYSA-N 1 2 368.481 3.262 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)c3cccc4c3OCO4)CC2)cc1 ZINC000368860941 499340697 /nfs/dbraw/zinc/34/06/97/499340697.db2.gz PYSPZGRLPOMLAN-UHFFFAOYSA-N 1 2 368.433 3.165 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)c3nc(C)c(C)nc3C)CC2)cc1 ZINC000373337799 499464011 /nfs/dbraw/zinc/46/40/11/499464011.db2.gz AVWDQOFXLSHJIC-UHFFFAOYSA-N 1 2 368.481 3.151 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)C[C@@H]3CCC(=O)[C@@H]3C)CC2)cc1 ZINC000373476241 499472171 /nfs/dbraw/zinc/47/21/71/499472171.db2.gz VGBGXOQRAVLIBM-CVEARBPZSA-N 1 2 358.482 3.128 20 10 FGCDLO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000378242686 499493746 /nfs/dbraw/zinc/49/37/46/499493746.db2.gz OMJHDHKJQHLJLA-SFHVURJKSA-N 1 2 369.513 3.367 20 10 FGCDLO Cc1c2ccccc2n(C)c1CNC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000472221974 502275331 /nfs/dbraw/zinc/27/53/31/502275331.db2.gz PFCSXVZCYUKOTH-UHFFFAOYSA-N 1 2 365.481 3.361 20 10 FGCDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000092704297 700440285 /nfs/dbraw/zinc/44/02/85/700440285.db2.gz ARNLLUZSAAXMEG-GFCCVEGCSA-N 1 2 371.275 3.254 20 10 FGCDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000092704297 700440287 /nfs/dbraw/zinc/44/02/87/700440287.db2.gz ARNLLUZSAAXMEG-GFCCVEGCSA-N 1 2 371.275 3.254 20 10 FGCDLO C[C@H](CC[S@](C)=O)[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000756741111 722969390 /nfs/dbraw/zinc/96/93/90/722969390.db2.gz CQMRBMHIBFHPHG-LQJGKPAFSA-N 1 2 352.269 3.102 20 10 FGCDLO CC[C@@H]1C[N@H+](Cc2cc(C)cc(Br)c2O)C[C@]2(CCOC2)O1 ZINC000793360871 723429394 /nfs/dbraw/zinc/42/93/94/723429394.db2.gz GXPJQUPISKFYHI-PBHICJAKSA-N 1 2 370.287 3.233 20 10 FGCDLO CC[C@@H]1C[N@@H+](Cc2cc(C)cc(Br)c2O)C[C@]2(CCOC2)O1 ZINC000793360871 723429396 /nfs/dbraw/zinc/42/93/96/723429396.db2.gz GXPJQUPISKFYHI-PBHICJAKSA-N 1 2 370.287 3.233 20 10 FGCDLO C[C@H]([NH2+][C@@H]1CCN(CC2CC2)C1)c1cc(Br)cc(F)c1O ZINC000756553986 722966734 /nfs/dbraw/zinc/96/67/34/722966734.db2.gz NOYVRNHNQIKIJA-GXFFZTMASA-N 1 2 357.267 3.429 20 10 FGCDLO C[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@@H]1C)c1cc(Br)c(F)cc1O ZINC000756648160 722968192 /nfs/dbraw/zinc/96/81/92/722968192.db2.gz UOCVIGOKEDZQJW-AMJWSMQMSA-N 1 2 357.267 3.427 20 10 FGCDLO C[C@H](Nc1ccc(N(C)CCO)c[nH+]1)c1cc(Br)ccc1O ZINC000756843893 722970631 /nfs/dbraw/zinc/97/06/31/722970631.db2.gz HXLREOZFWSWNBA-NSHDSACASA-N 1 2 366.259 3.151 20 10 FGCDLO COc1cc(Cl)cc(C[N@H+](C)Cc2nc3ccccc3c(=O)[nH]2)c1O ZINC000761183886 723130485 /nfs/dbraw/zinc/13/04/85/723130485.db2.gz GXEOOCRKHVEPBE-UHFFFAOYSA-N 1 2 359.813 3.335 20 10 FGCDLO COc1cc(Cl)cc(C[N@@H+](C)Cc2nc3ccccc3c(=O)[nH]2)c1O ZINC000761183886 723130486 /nfs/dbraw/zinc/13/04/86/723130486.db2.gz GXEOOCRKHVEPBE-UHFFFAOYSA-N 1 2 359.813 3.335 20 10 FGCDLO CSc1ccccc1C[N@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000791598559 723262860 /nfs/dbraw/zinc/26/28/60/723262860.db2.gz IZTXIUZPECUQNX-UHFFFAOYSA-N 1 2 357.523 3.223 20 10 FGCDLO CSc1ccccc1C[N@@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000791598559 723262866 /nfs/dbraw/zinc/26/28/66/723262866.db2.gz IZTXIUZPECUQNX-UHFFFAOYSA-N 1 2 357.523 3.223 20 10 FGCDLO O=C1[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2O)CCN1Cc1ccc(F)cc1 ZINC000792192875 723320186 /nfs/dbraw/zinc/32/01/86/723320186.db2.gz PBCBERPIPSAIEA-INIZCTEOSA-N 1 2 366.795 3.215 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)c1O ZINC000797527244 723830546 /nfs/dbraw/zinc/83/05/46/723830546.db2.gz DWIXDALDJAKESZ-WTOJCKNJSA-N 1 2 367.873 3.407 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)c1O ZINC000797527244 723830552 /nfs/dbraw/zinc/83/05/52/723830552.db2.gz DWIXDALDJAKESZ-WTOJCKNJSA-N 1 2 367.873 3.407 20 10 FGCDLO Cc1cc(Cl)cc(C[NH+]2CCN(C(=O)c3ccsc3)CC2)c1O ZINC000775657551 724017495 /nfs/dbraw/zinc/01/74/95/724017495.db2.gz CVCPQROUMZKESN-UHFFFAOYSA-N 1 2 350.871 3.374 20 10 FGCDLO C[N@@H+](Cc1cc(Cl)cc(F)c1O)C[C@H](O)COCc1ccccc1 ZINC000775661575 724018069 /nfs/dbraw/zinc/01/80/69/724018069.db2.gz MYABMKHCSFPTPV-INIZCTEOSA-N 1 2 353.821 3.194 20 10 FGCDLO C[N@H+](Cc1cc(Cl)cc(F)c1O)C[C@H](O)COCc1ccccc1 ZINC000775661575 724018075 /nfs/dbraw/zinc/01/80/75/724018075.db2.gz MYABMKHCSFPTPV-INIZCTEOSA-N 1 2 353.821 3.194 20 10 FGCDLO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1cc(Cl)cc(F)c1O ZINC000775664593 724018983 /nfs/dbraw/zinc/01/89/83/724018983.db2.gz NFVPWNSDNOXEKU-JTQLQIEISA-N 1 2 372.849 3.025 20 10 FGCDLO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1cc(Cl)cc(F)c1O ZINC000775664593 724018990 /nfs/dbraw/zinc/01/89/90/724018990.db2.gz NFVPWNSDNOXEKU-JTQLQIEISA-N 1 2 372.849 3.025 20 10 FGCDLO Cc1nsc(N2CCC[N@H+](Cc3cc(Cl)cc(F)c3O)CC2)n1 ZINC000775724034 724031216 /nfs/dbraw/zinc/03/12/16/724031216.db2.gz CCHNFHRUFGSSEV-UHFFFAOYSA-N 1 2 356.854 3.057 20 10 FGCDLO Cc1nsc(N2CCC[N@@H+](Cc3cc(Cl)cc(F)c3O)CC2)n1 ZINC000775724034 724031220 /nfs/dbraw/zinc/03/12/20/724031220.db2.gz CCHNFHRUFGSSEV-UHFFFAOYSA-N 1 2 356.854 3.057 20 10 FGCDLO C[C@@H]([NH2+]CCCn1cc(Br)cn1)c1cc(F)cc(F)c1O ZINC000806659772 725139704 /nfs/dbraw/zinc/13/97/04/725139704.db2.gz DZQTZXBRMOOXSR-SECBINFHSA-N 1 2 360.202 3.370 20 10 FGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]Cc1ccncc1OC[C@@H]1CCOC1 ZINC000809783892 725268581 /nfs/dbraw/zinc/26/85/81/725268581.db2.gz NTFAYXHOVCPWOK-GFCCVEGCSA-N 1 2 366.820 3.285 20 10 FGCDLO Oc1ccc(Br)cc1C[NH2+]Cc1ncn(-c2ccccc2)n1 ZINC000815163827 727047207 /nfs/dbraw/zinc/04/72/07/727047207.db2.gz WAKCBRYEDMOCHD-UHFFFAOYSA-N 1 2 359.227 3.025 20 10 FGCDLO Oc1cc(Br)ccc1CN1CC[NH+](Cc2ccco2)CC1 ZINC000824542446 729346171 /nfs/dbraw/zinc/34/61/71/729346171.db2.gz SAFIUCHQYMIACI-UHFFFAOYSA-N 1 2 351.244 3.066 20 10 FGCDLO Cc1cc(C(=O)NCCc2cn(C)c[nH+]2)c(C)n1-c1cccc(Cl)c1 ZINC000837716877 730057178 /nfs/dbraw/zinc/05/71/78/730057178.db2.gz HRDZDRBPQISDBJ-UHFFFAOYSA-N 1 2 356.857 3.454 20 10 FGCDLO COc1ccc(OC)c(C[N@H+](CCO)Cc2c(O)cc(C)cc2Cl)c1 ZINC000840914615 730190593 /nfs/dbraw/zinc/19/05/93/730190593.db2.gz DMXPMBZOKRTFJA-UHFFFAOYSA-N 1 2 365.857 3.366 20 10 FGCDLO COc1ccc(OC)c(C[N@@H+](CCO)Cc2c(O)cc(C)cc2Cl)c1 ZINC000840914615 730190594 /nfs/dbraw/zinc/19/05/94/730190594.db2.gz DMXPMBZOKRTFJA-UHFFFAOYSA-N 1 2 365.857 3.366 20 10 FGCDLO CCc1nsc(N2CC[NH+](Cc3c(O)cc(C)cc3Cl)CC2)n1 ZINC000840917469 730191283 /nfs/dbraw/zinc/19/12/83/730191283.db2.gz OVXAJDLGUMMHAC-UHFFFAOYSA-N 1 2 352.891 3.090 20 10 FGCDLO C[C@@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1=O)c1cc(Br)cc(F)c1O ZINC000842885833 730553796 /nfs/dbraw/zinc/55/37/96/730553796.db2.gz QBRLPZNOFNECTJ-NOZJJQNGSA-N 1 2 373.266 3.344 20 10 FGCDLO COc1cccc([C@@H](C)[NH2+]CC(F)(F)CNC(=O)OC(C)(C)C)c1O ZINC000846165088 730932963 /nfs/dbraw/zinc/93/29/63/730932963.db2.gz SANBCUPVGFACJR-LLVKDONJSA-N 1 2 360.401 3.211 20 10 FGCDLO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2ncc(Br)s2)c1 ZINC000866620302 733374892 /nfs/dbraw/zinc/37/48/92/733374892.db2.gz MHAIFRRDTMLWHA-MRVPVSSYSA-N 1 2 371.256 3.249 20 10 FGCDLO Oc1c(F)cc(Br)cc1C[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000894076599 742235400 /nfs/dbraw/zinc/23/54/00/742235400.db2.gz PHMOTOIKPXRYLW-CQSZACIVSA-N 1 2 374.250 3.064 20 10 FGCDLO Cn1ccnc1[C@@H]1CC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000894780056 742332609 /nfs/dbraw/zinc/33/26/09/742332609.db2.gz VZYWHYLBKMZLRK-SNVBAGLBSA-N 1 2 354.223 3.017 20 10 FGCDLO Cn1ccnc1[C@@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000894780056 742332616 /nfs/dbraw/zinc/33/26/16/742332616.db2.gz VZYWHYLBKMZLRK-SNVBAGLBSA-N 1 2 354.223 3.017 20 10 FGCDLO CC(C)[C@@H]([NH2+][C@@H](C)c1cc(Br)cc(F)c1O)c1nncn1C ZINC000903063924 743800888 /nfs/dbraw/zinc/80/08/88/743800888.db2.gz JELIZOZOPHVUKO-TVQRCGJNSA-N 1 2 371.254 3.470 20 10 FGCDLO Brc1cnc(C2([NH2+]Cc3ccc4c(c3)CCO4)CCC2)nc1 ZINC000923001950 759047622 /nfs/dbraw/zinc/04/76/22/759047622.db2.gz YDZBFRNZAJXPHY-UHFFFAOYSA-N 1 2 360.255 3.343 20 10 FGCDLO C[C@@H]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@H]1n1cc[nH+]c1 ZINC000177769078 496189163 /nfs/dbraw/zinc/18/91/63/496189163.db2.gz GGHVZWVOTVAEGS-YLJYHZDGSA-N 1 2 367.497 3.276 20 10 FGCDLO C[C@@H]([NH2+]CCCS(=O)(=O)c1ccccc1)c1ccc(F)c(F)c1O ZINC000187669009 496528051 /nfs/dbraw/zinc/52/80/51/496528051.db2.gz DETLNMCXPYLKLI-GFCCVEGCSA-N 1 2 355.406 3.185 20 10 FGCDLO Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3ccc(F)c(F)c3O)C2)n(C)n1 ZINC000278162856 497025293 /nfs/dbraw/zinc/02/52/93/497025293.db2.gz AMUMBVRJBYPRKL-CHWSQXEVSA-N 1 2 350.413 3.032 20 10 FGCDLO Cc1cc(C(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)c(C)n1-c1ccccn1 ZINC000295996588 497883760 /nfs/dbraw/zinc/88/37/60/497883760.db2.gz VGLCVQPYNYKSMU-GOSISDBHSA-N 1 2 363.465 3.446 20 10 FGCDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCc1ccc(N(C)C)c(F)c1)C2 ZINC000364631167 498060049 /nfs/dbraw/zinc/06/00/49/498060049.db2.gz NCZMDSARWGMAQB-CQSZACIVSA-N 1 2 358.461 3.160 20 10 FGCDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCc1ccc(N(C)C)c(F)c1)CC2 ZINC000364631167 498060051 /nfs/dbraw/zinc/06/00/51/498060051.db2.gz NCZMDSARWGMAQB-CQSZACIVSA-N 1 2 358.461 3.160 20 10 FGCDLO CCCCOCCNC(=O)N(C)C1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000360268964 498261181 /nfs/dbraw/zinc/26/11/81/498261181.db2.gz BISBHGXWPXRDCI-UHFFFAOYSA-N 1 2 363.502 3.122 20 10 FGCDLO COc1ccc(N2CCCN(c3cc(NCC4CC4)[nH+]cn3)CC2)cc1 ZINC000301840214 498288560 /nfs/dbraw/zinc/28/85/60/498288560.db2.gz XWQKZKIATZSAPM-UHFFFAOYSA-N 1 2 353.470 3.024 20 10 FGCDLO COc1ccc(N2CCCN(c3cc(NCC4CC4)nc[nH+]3)CC2)cc1 ZINC000301840214 498288565 /nfs/dbraw/zinc/28/85/65/498288565.db2.gz XWQKZKIATZSAPM-UHFFFAOYSA-N 1 2 353.470 3.024 20 10 FGCDLO COc1c(O)c(C[NH2+][C@H]2c3ccccc3CC[C@H]2N(C)C)ccc1[N+](=O)[O-] ZINC000365324088 498406182 /nfs/dbraw/zinc/40/61/82/498406182.db2.gz MSEMCWRKAPFPQR-AEFFLSMTSA-N 1 2 371.437 3.016 20 10 FGCDLO COc1c(O)c(CN[C@H]2c3ccccc3CC[C@H]2[NH+](C)C)ccc1[N+](=O)[O-] ZINC000365324088 498406190 /nfs/dbraw/zinc/40/61/90/498406190.db2.gz MSEMCWRKAPFPQR-AEFFLSMTSA-N 1 2 371.437 3.016 20 10 FGCDLO C[C@@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1ccc(Cl)c(Cl)c1O ZINC000286876893 498538471 /nfs/dbraw/zinc/53/84/71/498538471.db2.gz CEOAXVUIIBDWMU-ZJUUUORDSA-N 1 2 352.283 3.174 20 10 FGCDLO CN(c1ccc(CNc2nc3c(cnn3C)c(N)[nH+]2)cc1)C1CCCCC1 ZINC000302901271 498621831 /nfs/dbraw/zinc/62/18/31/498621831.db2.gz SWEUQTSCYLPFFR-UHFFFAOYSA-N 1 2 365.485 3.327 20 10 FGCDLO Oc1c(Cl)cc(Cl)cc1C[NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000282825323 498668764 /nfs/dbraw/zinc/66/87/64/498668764.db2.gz NPGJUUVRYZFWPN-BZNIZROVSA-N 1 2 360.281 3.356 20 10 FGCDLO CC[C@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1cc(Cl)cc(Cl)c1O ZINC000287899680 498897383 /nfs/dbraw/zinc/89/73/83/498897383.db2.gz ZODDLYVAAIRHAV-ZANVPECISA-N 1 2 352.283 3.174 20 10 FGCDLO Cc1[nH+]c(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)c2n1CCCC2 ZINC000371401595 499321170 /nfs/dbraw/zinc/32/11/70/499321170.db2.gz QBVDTQOXNUZCDL-INIZCTEOSA-N 1 2 354.498 3.215 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)CC[C@@H]3CCCCO3)CC2)cc1 ZINC000369183089 499375255 /nfs/dbraw/zinc/37/52/55/499375255.db2.gz IDORAPKKCMOSON-FQEVSTJZSA-N 1 2 360.498 3.472 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)CC[C@H]3CCCCO3)CC2)cc1 ZINC000369183090 499375271 /nfs/dbraw/zinc/37/52/71/499375271.db2.gz IDORAPKKCMOSON-HXUWFJFHSA-N 1 2 360.498 3.472 20 10 FGCDLO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1)c1cc(Br)cc(F)c1O ZINC000375302506 499504899 /nfs/dbraw/zinc/50/48/99/499504899.db2.gz KVTMZNKLEZDXOI-RPAKXZQJSA-N 1 2 371.250 3.002 20 10 FGCDLO Cc1cc(Br)cc(C[NH2+][C@@H](c2nnc[nH]2)c2ccccc2)c1O ZINC000375397072 499514156 /nfs/dbraw/zinc/51/41/56/499514156.db2.gz ZOIYVGOMPDYQEP-OAHLLOKOSA-N 1 2 373.254 3.460 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)[C@@H]3CCC(=O)C[C@H]3C)CC2)cc1 ZINC000378462746 499519813 /nfs/dbraw/zinc/51/98/13/499519813.db2.gz OGQMCCRJLKEHHX-FOIQADDNSA-N 1 2 358.482 3.128 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)N[C@H]3CSC[C@H]3C)CC2)cc1 ZINC000377194648 499669726 /nfs/dbraw/zinc/66/97/26/499669726.db2.gz FNYBUODDJYBJPI-KDOFPFPSSA-N 1 2 363.527 3.057 20 10 FGCDLO O=C(C[N@H+](Cc1ccco1)Cc1ccccc1O)NCc1cccs1 ZINC000070975154 695956985 /nfs/dbraw/zinc/95/69/85/695956985.db2.gz CVMUKMNSFAQVHB-UHFFFAOYSA-N 1 2 356.447 3.365 20 10 FGCDLO O=C(C[N@@H+](Cc1ccco1)Cc1ccccc1O)NCc1cccs1 ZINC000070975154 695956989 /nfs/dbraw/zinc/95/69/89/695956989.db2.gz CVMUKMNSFAQVHB-UHFFFAOYSA-N 1 2 356.447 3.365 20 10 FGCDLO CCN(CC)c1ccc(C[N@H+]([C@H](C)CS(C)(=O)=O)C2CC2)cc1F ZINC000093392235 700451225 /nfs/dbraw/zinc/45/12/25/700451225.db2.gz ZQACTNAFLCURMY-CQSZACIVSA-N 1 2 356.507 3.069 20 10 FGCDLO CCN(CC)c1ccc(C[N@@H+]([C@H](C)CS(C)(=O)=O)C2CC2)cc1F ZINC000093392235 700451227 /nfs/dbraw/zinc/45/12/27/700451227.db2.gz ZQACTNAFLCURMY-CQSZACIVSA-N 1 2 356.507 3.069 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@@H+](C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)c1O ZINC000246205798 713619444 /nfs/dbraw/zinc/61/94/44/713619444.db2.gz XPGVQQLDVJDOGT-HZPDHXFCSA-N 1 2 373.902 3.036 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@H+](C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)c1O ZINC000246205798 713619454 /nfs/dbraw/zinc/61/94/54/713619454.db2.gz XPGVQQLDVJDOGT-HZPDHXFCSA-N 1 2 373.902 3.036 20 10 FGCDLO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1cccc(Br)c1O ZINC000779431874 724413148 /nfs/dbraw/zinc/41/31/48/724413148.db2.gz GSPDHSXRUFYXJJ-BLLLJJGKSA-N 1 2 356.260 3.366 20 10 FGCDLO C[C@H](O)C[C@H](C)[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000783602135 724770840 /nfs/dbraw/zinc/77/08/40/724770840.db2.gz FZCSDILRXITPCG-YUMQZZPRSA-N 1 2 367.081 3.166 20 10 FGCDLO CN1CCN(C[C@@H]([NH2+]Cc2c(O)cccc2Cl)c2ccccc2)CC1 ZINC000733327039 722495738 /nfs/dbraw/zinc/49/57/38/722495738.db2.gz LQGRMXARRXYPON-LJQANCHMSA-N 1 2 359.901 3.124 20 10 FGCDLO C[C@H](N1CC[NH+](Cc2cc(C(C)(C)C)cc(O)c2O)CC1)C(F)(F)F ZINC000749959547 722749859 /nfs/dbraw/zinc/74/98/59/722749859.db2.gz QGSPHLIARXNPBN-LBPRGKRZSA-N 1 2 360.420 3.464 20 10 FGCDLO CS[C@H](CO)[C@@H](C)[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000756594640 722967357 /nfs/dbraw/zinc/96/73/57/722967357.db2.gz SNWLUVFOQDNSAR-OTPXZMOZSA-N 1 2 352.269 3.057 20 10 FGCDLO C[C@@H]([NH2+][C@@H]1CCCCNC1=O)c1cc(Br)cc(Cl)c1O ZINC000756397557 722963944 /nfs/dbraw/zinc/96/39/44/722963944.db2.gz UTHSQSMFFGWTGO-PRHODGIISA-N 1 2 361.667 3.127 20 10 FGCDLO C[C@@H]([NH2+]CCNC(=O)c1ccc(Cl)cc1)c1cc(F)cc(F)c1O ZINC000756479337 722965353 /nfs/dbraw/zinc/96/53/53/722965353.db2.gz MHZQJZLOWAWSKN-SNVBAGLBSA-N 1 2 354.784 3.404 20 10 FGCDLO C[C@@H]([NH2+]CCCc1nnc2n1CCCCC2)c1cc(F)cc(F)c1O ZINC000756536692 722966372 /nfs/dbraw/zinc/96/63/72/722966372.db2.gz SUJRBEVYQOKXMM-GFCCVEGCSA-N 1 2 350.413 3.272 20 10 FGCDLO C[C@@H]([NH2+]C[C@@H](CO)Cc1ccco1)c1cc(Br)cc(F)c1O ZINC000756659340 722968337 /nfs/dbraw/zinc/96/83/37/722968337.db2.gz DKGYZWDFZKUZCP-MNOVXSKESA-N 1 2 372.234 3.389 20 10 FGCDLO COc1cc(Cl)cc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c1O ZINC000761200868 723132954 /nfs/dbraw/zinc/13/29/54/723132954.db2.gz YCWFEXSTIPGGLG-LBPRGKRZSA-N 1 2 370.877 3.495 20 10 FGCDLO COc1cc(Cl)cc(C[N@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c1O ZINC000761200868 723132955 /nfs/dbraw/zinc/13/29/55/723132955.db2.gz YCWFEXSTIPGGLG-LBPRGKRZSA-N 1 2 370.877 3.495 20 10 FGCDLO O=C(NC1CCCCC1)N1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000768264383 723652113 /nfs/dbraw/zinc/65/21/13/723652113.db2.gz NAOWAWDIWFBJOZ-UHFFFAOYSA-N 1 2 351.878 3.206 20 10 FGCDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1Cc1cccc(Br)c1O ZINC000769499204 723687477 /nfs/dbraw/zinc/68/74/77/723687477.db2.gz OSKRZCMINRZAII-CABCVRRESA-N 1 2 369.303 3.376 20 10 FGCDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1Cc1cccc(Br)c1O ZINC000769499204 723687478 /nfs/dbraw/zinc/68/74/78/723687478.db2.gz OSKRZCMINRZAII-CABCVRRESA-N 1 2 369.303 3.376 20 10 FGCDLO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](Cc1cccc(Br)c1O)C[C@H](C)O2 ZINC000797605683 723841735 /nfs/dbraw/zinc/84/17/35/723841735.db2.gz UPXAEMNPRMDXFS-IGCXYCKISA-N 1 2 370.287 3.313 20 10 FGCDLO C[C@@H]1C[C@@]2(CCO1)C[N@H+](Cc1cccc(Br)c1O)C[C@H](C)O2 ZINC000797605683 723841738 /nfs/dbraw/zinc/84/17/38/723841738.db2.gz UPXAEMNPRMDXFS-IGCXYCKISA-N 1 2 370.287 3.313 20 10 FGCDLO Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3cc(F)cc(F)c3O)C2)n(C)n1 ZINC000774451590 723896080 /nfs/dbraw/zinc/89/60/80/723896080.db2.gz AXYRCJIMPSBRCS-TZMCWYRMSA-N 1 2 350.413 3.032 20 10 FGCDLO C[C@H]1[C@H]([NH2+]Cc2cc(Cl)cc(F)c2O)CC(=O)N1Cc1ccccc1 ZINC000798966993 723980983 /nfs/dbraw/zinc/98/09/83/723980983.db2.gz MWBHIQXKWNLEEL-YVEFUNNKSA-N 1 2 362.832 3.464 20 10 FGCDLO O=C(NCc1cc(Br)ccc1O)Nc1ccn2cc[nH+]c2c1 ZINC000810226753 725298165 /nfs/dbraw/zinc/29/81/65/725298165.db2.gz KTAQOFLBYPHBQE-UHFFFAOYSA-N 1 2 361.199 3.124 20 10 FGCDLO Oc1c(Br)cccc1C[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000811520460 725372330 /nfs/dbraw/zinc/37/23/30/725372330.db2.gz PFPRDFTUWTYLGS-LBPRGKRZSA-N 1 2 356.651 3.452 20 10 FGCDLO Oc1c(Br)cccc1C[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000811520460 725372331 /nfs/dbraw/zinc/37/23/31/725372331.db2.gz PFPRDFTUWTYLGS-LBPRGKRZSA-N 1 2 356.651 3.452 20 10 FGCDLO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2Cc2cc(Cl)c(F)cc2O)C[C@H](C)O1 ZINC000816496570 727167970 /nfs/dbraw/zinc/16/79/70/727167970.db2.gz OTSMUMRHCCZCOX-GUTXKFCHSA-N 1 2 356.869 3.258 20 10 FGCDLO C[C@@H]1CN(C[C@@H]2CCC[N@H+]2Cc2cc(Cl)c(F)cc2O)C[C@H](C)O1 ZINC000816496570 727167971 /nfs/dbraw/zinc/16/79/71/727167971.db2.gz OTSMUMRHCCZCOX-GUTXKFCHSA-N 1 2 356.869 3.258 20 10 FGCDLO Oc1c(F)cc(Cl)cc1C[N@H+](CCN1CCOCC1)Cc1ccco1 ZINC000825305507 729378128 /nfs/dbraw/zinc/37/81/28/729378128.db2.gz LVAGXWVYEHZBIQ-UHFFFAOYSA-N 1 2 368.836 3.112 20 10 FGCDLO Oc1c(F)cc(Cl)cc1C[N@@H+](CCN1CCOCC1)Cc1ccco1 ZINC000825305507 729378129 /nfs/dbraw/zinc/37/81/29/729378129.db2.gz LVAGXWVYEHZBIQ-UHFFFAOYSA-N 1 2 368.836 3.112 20 10 FGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000827662720 729433088 /nfs/dbraw/zinc/43/30/88/729433088.db2.gz UDJHBUISCJHEHT-UHFFFAOYSA-N 1 2 364.848 3.436 20 10 FGCDLO COC(=O)C[N@H+](CCc1ncc(C)cc1C)Cc1cc(Cl)ccc1O ZINC000828062931 729439348 /nfs/dbraw/zinc/43/93/48/729439348.db2.gz VHVXPYANVCCTDS-UHFFFAOYSA-N 1 2 362.857 3.275 20 10 FGCDLO COC(=O)C[N@@H+](CCc1ncc(C)cc1C)Cc1cc(Cl)ccc1O ZINC000828062931 729439349 /nfs/dbraw/zinc/43/93/49/729439349.db2.gz VHVXPYANVCCTDS-UHFFFAOYSA-N 1 2 362.857 3.275 20 10 FGCDLO CCC[NH2+]CC[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC000841046396 730206020 /nfs/dbraw/zinc/20/60/20/730206020.db2.gz DJFOTPPQCOHMOX-UHFFFAOYSA-N 1 2 366.097 3.006 20 10 FGCDLO Cn1cc(C(F)F)c(C[NH2+]Cc2cc(Br)cc(F)c2O)n1 ZINC000883198887 737534930 /nfs/dbraw/zinc/53/49/30/737534930.db2.gz RWTCSULCATZDPD-UHFFFAOYSA-N 1 2 364.165 3.255 20 10 FGCDLO CC[C@@H](O)C[NH2+][C@H](C)c1cc(Br)cc(Br)c1O ZINC000850529074 731369459 /nfs/dbraw/zinc/36/94/59/731369459.db2.gz NDVOYMHDFLHMDR-VXNVDRBHSA-N 1 2 367.081 3.339 20 10 FGCDLO CN(C)c1cc(F)c(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1F ZINC000862216681 732787953 /nfs/dbraw/zinc/78/79/53/732787953.db2.gz PUEIGPZESFQNJC-CYBMUJFWSA-N 1 2 355.429 3.130 20 10 FGCDLO CN(C)c1cc(F)c(C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1F ZINC000862216681 732787958 /nfs/dbraw/zinc/78/79/58/732787958.db2.gz PUEIGPZESFQNJC-CYBMUJFWSA-N 1 2 355.429 3.130 20 10 FGCDLO COc1ccccc1C[N@H+](CCO)Cc1c(O)cccc1Br ZINC000862226421 732789693 /nfs/dbraw/zinc/78/96/93/732789693.db2.gz DJOVJKQXDMAQTE-UHFFFAOYSA-N 1 2 366.255 3.158 20 10 FGCDLO COc1ccccc1C[N@@H+](CCO)Cc1c(O)cccc1Br ZINC000862226421 732789696 /nfs/dbraw/zinc/78/96/96/732789696.db2.gz DJOVJKQXDMAQTE-UHFFFAOYSA-N 1 2 366.255 3.158 20 10 FGCDLO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](Cc1cc(F)c(N(C)C)cc1F)C[C@H](C)O2 ZINC000862353722 732814165 /nfs/dbraw/zinc/81/41/65/732814165.db2.gz YAQRSNYMOQWTJV-TYILLQQXSA-N 1 2 354.441 3.189 20 10 FGCDLO C[C@@H]1C[C@@]2(CCO1)C[N@H+](Cc1cc(F)c(N(C)C)cc1F)C[C@H](C)O2 ZINC000862353722 732814168 /nfs/dbraw/zinc/81/41/68/732814168.db2.gz YAQRSNYMOQWTJV-TYILLQQXSA-N 1 2 354.441 3.189 20 10 FGCDLO CC[C@H]([NH2+]Cc1nnc(C2CCOCC2)[nH]1)c1cccc(Cl)c1O ZINC000866438798 733348991 /nfs/dbraw/zinc/34/89/91/733348991.db2.gz BQVQPPYAIBFQDJ-AWEZNQCLSA-N 1 2 350.850 3.299 20 10 FGCDLO Fc1cc(C[NH2+]Cc2nc(Cl)cs2)cc(F)c1N1CCOCC1 ZINC000877582082 736688294 /nfs/dbraw/zinc/68/82/94/736688294.db2.gz HSOIWOCMRKLDJH-UHFFFAOYSA-N 1 2 359.829 3.201 20 10 FGCDLO COC(=O)C1CCC([NH2+]Cc2cc(Br)cc(F)c2O)CC1 ZINC000882988290 737508453 /nfs/dbraw/zinc/50/84/53/737508453.db2.gz ITVPAXBVNIQBRK-UHFFFAOYSA-N 1 2 360.223 3.115 20 10 FGCDLO CN(C)c1nc(C[NH2+]Cc2cc(Br)cc(F)c2O)cs1 ZINC000883028006 737513905 /nfs/dbraw/zinc/51/39/05/737513905.db2.gz XGCGQSIKCLFWEH-UHFFFAOYSA-N 1 2 360.252 3.106 20 10 FGCDLO COC(=O)c1cnc([C@@H]2CC[N@H+](Cc3cccc(Cl)c3O)C2)s1 ZINC000896968914 742624194 /nfs/dbraw/zinc/62/41/94/742624194.db2.gz DVKIXHQQRDKRPH-LLVKDONJSA-N 1 2 352.843 3.278 20 10 FGCDLO COC(=O)c1cnc([C@@H]2CC[N@@H+](Cc3cccc(Cl)c3O)C2)s1 ZINC000896968914 742624195 /nfs/dbraw/zinc/62/41/95/742624195.db2.gz DVKIXHQQRDKRPH-LLVKDONJSA-N 1 2 352.843 3.278 20 10 FGCDLO CC(C)[C@@H]([NH2+][C@H](C)c1cc(Br)cc(F)c1O)c1nncn1C ZINC000903063922 743800721 /nfs/dbraw/zinc/80/07/21/743800721.db2.gz JELIZOZOPHVUKO-NOZJJQNGSA-N 1 2 371.254 3.470 20 10 FGCDLO CC(C)[C@H]([NH2+][C@@H](C)c1cc(Br)c(F)cc1O)c1nncn1C ZINC000903063049 743800894 /nfs/dbraw/zinc/80/08/94/743800894.db2.gz BQHHOFGKRIWMQX-XPTSAGLGSA-N 1 2 371.254 3.470 20 10 FGCDLO Cc1cc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c(C)n1-c1ccccn1 ZINC000121360371 494720111 /nfs/dbraw/zinc/72/01/11/494720111.db2.gz UQBSNEBXXFYKKR-GOSISDBHSA-N 1 2 362.433 3.178 20 10 FGCDLO C[C@H](CS(C)(=O)=O)[N@H+](Cc1cc(Cl)cc(Cl)c1O)C1CC1 ZINC000093392482 494884410 /nfs/dbraw/zinc/88/44/10/494884410.db2.gz RVSXFMACFMAGFG-SECBINFHSA-N 1 2 352.283 3.097 20 10 FGCDLO C[C@H](CS(C)(=O)=O)[N@@H+](Cc1cc(Cl)cc(Cl)c1O)C1CC1 ZINC000093392482 494884414 /nfs/dbraw/zinc/88/44/14/494884414.db2.gz RVSXFMACFMAGFG-SECBINFHSA-N 1 2 352.283 3.097 20 10 FGCDLO C[C@@H]([NH2+]Cc1cccc(Cl)c1O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000180084640 495850630 /nfs/dbraw/zinc/85/06/30/495850630.db2.gz ARRFPZQIONUEOT-GFCCVEGCSA-N 1 2 368.886 3.147 20 10 FGCDLO CC(=O)c1cc(F)cc(C[N@@H+](C)Cc2cn(C)nc2C(F)(F)F)c1O ZINC000155354816 495931170 /nfs/dbraw/zinc/93/11/70/495931170.db2.gz KFULFGHVAJFEJD-UHFFFAOYSA-N 1 2 359.323 3.118 20 10 FGCDLO CCc1nc([C@@H](C)[NH2+]CC(=O)N(C)Cc2ccc(N(C)C)cc2)cs1 ZINC000184676046 496488700 /nfs/dbraw/zinc/48/87/00/496488700.db2.gz SFQQKHCKPAULIK-CQSZACIVSA-N 1 2 360.527 3.081 20 10 FGCDLO CCc1nc([C@H](C)[NH2+]CC(=O)N(C)Cc2ccc(N(C)C)cc2)cs1 ZINC000184676065 496489171 /nfs/dbraw/zinc/48/91/71/496489171.db2.gz SFQQKHCKPAULIK-AWEZNQCLSA-N 1 2 360.527 3.081 20 10 FGCDLO CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000164860171 496635889 /nfs/dbraw/zinc/63/58/89/496635889.db2.gz ZAMJXQSWPUFNPK-SFHVURJKSA-N 1 2 368.481 3.378 20 10 FGCDLO CC[NH+](CC)Cc1nc(C2(NCc3cc(OC)ccc3O)CCCC2)no1 ZINC000271833418 497463547 /nfs/dbraw/zinc/46/35/47/497463547.db2.gz FKRQVTPPBRIJKZ-UHFFFAOYSA-N 1 2 374.485 3.185 20 10 FGCDLO CCn1ccnc1[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000281115850 498025676 /nfs/dbraw/zinc/02/56/76/498025676.db2.gz MEQASNKDGRXBEI-OAHLLOKOSA-N 1 2 360.414 3.253 20 10 FGCDLO CCn1ccnc1[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000281115850 498025681 /nfs/dbraw/zinc/02/56/81/498025681.db2.gz MEQASNKDGRXBEI-OAHLLOKOSA-N 1 2 360.414 3.253 20 10 FGCDLO COCCn1cc2c(n1)[C@@H]([NH2+][C@H](C)c1ccc(F)c(F)c1O)CCC2 ZINC000364784915 498141396 /nfs/dbraw/zinc/14/13/96/498141396.db2.gz JGXTUSBPISMATI-ABAIWWIYSA-N 1 2 351.397 3.242 20 10 FGCDLO COc1ccc(-n2c(C)cc(C(=O)N[C@@H]3CCc4[nH+]c[nH]c4C3)c2C)cc1 ZINC000361278488 498369489 /nfs/dbraw/zinc/36/94/89/498369489.db2.gz MVHBNGPFDRRQIT-OAHLLOKOSA-N 1 2 364.449 3.113 20 10 FGCDLO COc1ccc(-n2c(C)cc(C(=O)N[C@@H]3CCc4[nH]c[nH+]c4C3)c2C)cc1 ZINC000361278488 498369494 /nfs/dbraw/zinc/36/94/94/498369494.db2.gz MVHBNGPFDRRQIT-OAHLLOKOSA-N 1 2 364.449 3.113 20 10 FGCDLO CC1CCN(c2ccc(CNc3cc(N4CCOCC4)nc[nH+]3)cc2)CC1 ZINC000302898299 498621029 /nfs/dbraw/zinc/62/10/29/498621029.db2.gz PUONQQPGTWQGJR-UHFFFAOYSA-N 1 2 367.497 3.162 20 10 FGCDLO CC1CCN(c2ccc(CNc3cc(N4CCOCC4)[nH+]cn3)cc2)CC1 ZINC000302898299 498621031 /nfs/dbraw/zinc/62/10/31/498621031.db2.gz PUONQQPGTWQGJR-UHFFFAOYSA-N 1 2 367.497 3.162 20 10 FGCDLO CN(Cc1ccccc1O)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000298722276 498860231 /nfs/dbraw/zinc/86/02/31/498860231.db2.gz ITXCOVFWUVRANP-UHFFFAOYSA-N 1 2 354.454 3.119 20 10 FGCDLO Oc1c(Cl)cccc1C[NH2+]Cc1nnc2n1C[C@@H](C(F)(F)F)CC2 ZINC000370367695 499213720 /nfs/dbraw/zinc/21/37/20/499213720.db2.gz WJUYDOQKOIVECR-JTQLQIEISA-N 1 2 360.767 3.052 20 10 FGCDLO CC[C@H]([NH2+][C@@H]1CCN(C(=O)c2cccnc2)C1)c1cccc(Cl)c1O ZINC000367894940 499242674 /nfs/dbraw/zinc/24/26/74/499242674.db2.gz GJKRQGASGDGHQX-PBHICJAKSA-N 1 2 359.857 3.396 20 10 FGCDLO C[C@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)c1ccc(Cl)c(Cl)c1O ZINC000368211914 499274390 /nfs/dbraw/zinc/27/43/90/499274390.db2.gz JYAUKRCAEPLGJB-IINYFYTJSA-N 1 2 373.280 3.130 20 10 FGCDLO C[C@@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)c1ccc(Cl)c(Cl)c1O ZINC000368211916 499274454 /nfs/dbraw/zinc/27/44/54/499274454.db2.gz JYAUKRCAEPLGJB-YGRLFVJLSA-N 1 2 373.280 3.130 20 10 FGCDLO CC(C)n1nc2c(cc1=O)C[N@@H+](Cc1cc(Cl)cc(Cl)c1O)CC2 ZINC000371335352 499311999 /nfs/dbraw/zinc/31/19/99/499311999.db2.gz JQTUYNMUSOSWAT-UHFFFAOYSA-N 1 2 368.264 3.395 20 10 FGCDLO CC(C)n1nc2c(cc1=O)C[N@H+](Cc1cc(Cl)cc(Cl)c1O)CC2 ZINC000371335352 499312001 /nfs/dbraw/zinc/31/20/01/499312001.db2.gz JQTUYNMUSOSWAT-UHFFFAOYSA-N 1 2 368.264 3.395 20 10 FGCDLO COc1ccc(CNC(=O)Nc2cccc(-c3[nH+]ccn3C)c2)c(O)c1 ZINC000375627564 499539065 /nfs/dbraw/zinc/53/90/65/499539065.db2.gz JAVKHVVHKYPHIG-UHFFFAOYSA-N 1 2 352.394 3.123 20 10 FGCDLO Oc1c(F)cccc1C[N@@H+]1CCCC[C@@H]1c1nc(-c2ncccn2)no1 ZINC000376167219 499588459 /nfs/dbraw/zinc/58/84/59/499588459.db2.gz PBHMHETZRDIPDT-CQSZACIVSA-N 1 2 355.373 3.099 20 10 FGCDLO Oc1c(F)cccc1C[N@H+]1CCCC[C@@H]1c1nc(-c2ncccn2)no1 ZINC000376167219 499588461 /nfs/dbraw/zinc/58/84/61/499588461.db2.gz PBHMHETZRDIPDT-CQSZACIVSA-N 1 2 355.373 3.099 20 10 FGCDLO Cc1[nH+]c2ccccc2n1CCC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000476678866 502560379 /nfs/dbraw/zinc/56/03/79/502560379.db2.gz VHULAXOJTVEOHA-UHFFFAOYSA-N 1 2 364.449 3.226 20 10 FGCDLO COc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)c(O)c1 ZINC000529230372 504594411 /nfs/dbraw/zinc/59/44/11/504594411.db2.gz VUXHVLKURYSBGG-GOSISDBHSA-N 1 2 374.868 3.335 20 10 FGCDLO COc1ccc(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)c(O)c1 ZINC000529230372 504594415 /nfs/dbraw/zinc/59/44/15/504594415.db2.gz VUXHVLKURYSBGG-GOSISDBHSA-N 1 2 374.868 3.335 20 10 FGCDLO Oc1c(Br)cccc1C[NH2+][C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000151343067 704920040 /nfs/dbraw/zinc/92/00/40/704920040.db2.gz BRRBOVWMZUWXTE-DOMZBBRYSA-N 1 2 358.301 3.299 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(C)(c3nc(C)no3)CC2)c1O ZINC000781349912 724555457 /nfs/dbraw/zinc/55/54/57/724555457.db2.gz GWTACNBUAFWBKA-UHFFFAOYSA-N 1 2 363.845 3.493 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[NH2+][C@H](CO)c2c(F)cccc2F)c1O ZINC000782062526 724624503 /nfs/dbraw/zinc/62/45/03/724624503.db2.gz PPSAQDAWKLKVRH-OAHLLOKOSA-N 1 2 355.768 3.350 20 10 FGCDLO Cc1cc(CC(=O)NCCn2cc[nH+]c2)c(C)n1-c1ccc(Cl)cc1 ZINC000754952779 722948180 /nfs/dbraw/zinc/94/81/80/722948180.db2.gz FDIUVALUQDKYQR-UHFFFAOYSA-N 1 2 356.857 3.303 20 10 FGCDLO C[C@@H](Cc1cnccn1)[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000756494371 722965564 /nfs/dbraw/zinc/96/55/64/722965564.db2.gz LQZUGTKDWFVTTJ-UWVGGRQHSA-N 1 2 354.223 3.366 20 10 FGCDLO C[C@H]([NH2+][C@H]1CCN(CC2CC2)C1)c1cc(Br)c(F)cc1O ZINC000756555015 722966724 /nfs/dbraw/zinc/96/67/24/722966724.db2.gz PTHWESABNZMLBV-JQWIXIFHSA-N 1 2 357.267 3.429 20 10 FGCDLO C[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@@H]1C)c1cc(Br)cc(F)c1O ZINC000756645811 722968155 /nfs/dbraw/zinc/96/81/55/722968155.db2.gz IYEGNEQNHPKVKL-AMJWSMQMSA-N 1 2 357.267 3.427 20 10 FGCDLO CC(C)(C)c1nnc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)s1 ZINC000758497962 722990659 /nfs/dbraw/zinc/99/06/59/722990659.db2.gz VGCNZGCCUVLXIX-UHFFFAOYSA-N 1 2 364.490 3.101 20 10 FGCDLO C[C@@H]([NH2+][C@@H](C)c1cc(Br)c(F)cc1O)c1nnnn1C1CC1 ZINC000790754715 723174228 /nfs/dbraw/zinc/17/42/28/723174228.db2.gz JGCSBHGWZBIMTD-JGVFFNPUSA-N 1 2 370.226 3.027 20 10 FGCDLO CCS(=O)(=O)c1ccc(C[NH2+]Cc2c(O)ccc(Cl)c2F)s1 ZINC000793208100 723411239 /nfs/dbraw/zinc/41/12/39/723411239.db2.gz XCDQMBHAJUTCAY-UHFFFAOYSA-N 1 2 363.863 3.330 20 10 FGCDLO Cc1cnc(N2CC[NH+](Cc3cc(Br)ccc3O)CC2)s1 ZINC000769458638 723686164 /nfs/dbraw/zinc/68/61/64/723686164.db2.gz WWRTWKORPSYOAT-UHFFFAOYSA-N 1 2 368.300 3.242 20 10 FGCDLO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C1=CC(=O)CS1 ZINC000771055804 723726869 /nfs/dbraw/zinc/72/68/69/723726869.db2.gz FIWHIRAJSYPOJT-CYBMUJFWSA-N 1 2 366.870 3.207 20 10 FGCDLO O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C1=CC(=O)CS1 ZINC000771055804 723726870 /nfs/dbraw/zinc/72/68/70/723726870.db2.gz FIWHIRAJSYPOJT-CYBMUJFWSA-N 1 2 366.870 3.207 20 10 FGCDLO CCc1nnc([C@@H](C)[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2Cl)[nH]1 ZINC000773136125 723777400 /nfs/dbraw/zinc/77/74/00/723777400.db2.gz FSMNAVRPNNIUDN-QWHCGFSZSA-N 1 2 363.893 3.269 20 10 FGCDLO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3c(O)ccc(Cl)c3F)nc2c1 ZINC000775179791 723968917 /nfs/dbraw/zinc/96/89/17/723968917.db2.gz QYTQEPFTCADEQE-UHFFFAOYSA-N 1 2 350.737 3.259 20 10 FGCDLO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1cc(Cl)cc(F)c1O ZINC000775644197 724014671 /nfs/dbraw/zinc/01/46/71/724014671.db2.gz GMVODZKNYRTOHU-JTQLQIEISA-N 1 2 372.849 3.025 20 10 FGCDLO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1cc(Cl)cc(F)c1O ZINC000775644197 724014679 /nfs/dbraw/zinc/01/46/79/724014679.db2.gz GMVODZKNYRTOHU-JTQLQIEISA-N 1 2 372.849 3.025 20 10 FGCDLO Cc1cc(Cl)cc(C[NH+]2CCN(CC(F)(F)C(F)F)CC2)c1O ZINC000775701418 724027772 /nfs/dbraw/zinc/02/77/72/724027772.db2.gz UYAQOTHBNSBBED-UHFFFAOYSA-N 1 2 354.775 3.372 20 10 FGCDLO COc1cccc([C@@H]2[C@@H](NC(=O)C3=CC(=O)CS3)CC[N@@H+]2C2CC2)c1 ZINC000778515234 724339328 /nfs/dbraw/zinc/33/93/28/724339328.db2.gz PSOCBTHIYIXNTP-FUHWJXTLSA-N 1 2 358.463 3.170 20 10 FGCDLO COc1cccc([C@@H]2[C@@H](NC(=O)C3=CC(=O)CS3)CC[N@H+]2C2CC2)c1 ZINC000778515234 724339334 /nfs/dbraw/zinc/33/93/34/724339334.db2.gz PSOCBTHIYIXNTP-FUHWJXTLSA-N 1 2 358.463 3.170 20 10 FGCDLO CC[N@H+](CC(=O)NCc1ccc(OC)cc1O)Cc1ccccc1Cl ZINC000807453729 725161540 /nfs/dbraw/zinc/16/15/40/725161540.db2.gz FNUISBASKRTXQQ-UHFFFAOYSA-N 1 2 362.857 3.193 20 10 FGCDLO CC[N@@H+](CC(=O)NCc1ccc(OC)cc1O)Cc1ccccc1Cl ZINC000807453729 725161541 /nfs/dbraw/zinc/16/15/41/725161541.db2.gz FNUISBASKRTXQQ-UHFFFAOYSA-N 1 2 362.857 3.193 20 10 FGCDLO C[C@H]([NH2+][C@H]1CC(=O)N(c2ccccc2F)C1)c1cc(F)cc(F)c1O ZINC000812741163 726807383 /nfs/dbraw/zinc/80/73/83/726807383.db2.gz RQURDTYFCROVAP-JQWIXIFHSA-N 1 2 350.340 3.266 20 10 FGCDLO O=C(c1ccoc1)N1CCC([NH2+]Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816534869 727172682 /nfs/dbraw/zinc/17/26/82/727172682.db2.gz XJUXDOZWTPXNDD-UHFFFAOYSA-N 1 2 352.793 3.172 20 10 FGCDLO CN(C)c1ccc(C[NH2+][C@H](CCNC(=O)OC(C)(C)C)C(F)F)cc1 ZINC000824672441 729354079 /nfs/dbraw/zinc/35/40/79/729354079.db2.gz BPLSOKWJHUNVHW-OAHLLOKOSA-N 1 2 357.445 3.391 20 10 FGCDLO C[N@@H+]1CC[C@@H](NC(=O)c2c(F)ccc(O)c2O)[C@@H]1c1ccc(Cl)cc1 ZINC000827492108 729430958 /nfs/dbraw/zinc/43/09/58/729430958.db2.gz UWEUTTAUCPYXEX-CJNGLKHVSA-N 1 2 364.804 3.066 20 10 FGCDLO C[N@H+]1CC[C@@H](NC(=O)c2c(F)ccc(O)c2O)[C@@H]1c1ccc(Cl)cc1 ZINC000827492108 729430959 /nfs/dbraw/zinc/43/09/59/729430959.db2.gz UWEUTTAUCPYXEX-CJNGLKHVSA-N 1 2 364.804 3.066 20 10 FGCDLO C[C@@H]([NH2+][C@@H]1CCN(CC(F)F)C1)c1cc(Br)cc(F)c1O ZINC000841765373 730272181 /nfs/dbraw/zinc/27/21/81/730272181.db2.gz RCFLVJPKZNKOMY-PSASIEDQSA-N 1 2 367.209 3.284 20 10 FGCDLO Cc1cc(Br)cc([C@@H](C)[NH2+]Cc2nnn(C(C)(C)C)n2)c1O ZINC000848561014 731181874 /nfs/dbraw/zinc/18/18/74/731181874.db2.gz NUENEPDYAOIMDH-SNVBAGLBSA-N 1 2 368.279 3.055 20 10 FGCDLO CC[C@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c1cccc(Cl)c1O ZINC000850518333 731367710 /nfs/dbraw/zinc/36/77/10/731367710.db2.gz OQUZQNZIWQNDEO-NSHDSACASA-N 1 2 359.797 3.063 20 10 FGCDLO C[N@H+](CCOCCNC(=O)OC(C)(C)C)Cc1cccc(Cl)c1O ZINC000862525455 732842781 /nfs/dbraw/zinc/84/27/81/732842781.db2.gz BKWCQVHMLYHTKP-UHFFFAOYSA-N 1 2 358.866 3.019 20 10 FGCDLO C[N@@H+](CCOCCNC(=O)OC(C)(C)C)Cc1cccc(Cl)c1O ZINC000862525455 732842783 /nfs/dbraw/zinc/84/27/83/732842783.db2.gz BKWCQVHMLYHTKP-UHFFFAOYSA-N 1 2 358.866 3.019 20 10 FGCDLO Cc1ccc(O)c(CNC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)c1 ZINC000862758836 732872790 /nfs/dbraw/zinc/87/27/90/732872790.db2.gz NJMISDQIMDAOKY-IBGZPJMESA-N 1 2 356.491 3.107 20 10 FGCDLO COC(=O)c1cnc([C@H]2CCC[N@H+](Cc3ccc(F)c(F)c3O)C2)s1 ZINC000877643768 736698741 /nfs/dbraw/zinc/69/87/41/736698741.db2.gz IRRSECAFYHVRAC-NSHDSACASA-N 1 2 368.405 3.293 20 10 FGCDLO COC(=O)c1cnc([C@H]2CCC[N@@H+](Cc3ccc(F)c(F)c3O)C2)s1 ZINC000877643768 736698744 /nfs/dbraw/zinc/69/87/44/736698744.db2.gz IRRSECAFYHVRAC-NSHDSACASA-N 1 2 368.405 3.293 20 10 FGCDLO CSCC[C@H]([NH2+]Cc1cc(F)cc(F)c1O)c1nnc2ccccn21 ZINC000882881399 737500282 /nfs/dbraw/zinc/50/02/82/737500282.db2.gz LKGIKEKWONORDE-AWEZNQCLSA-N 1 2 364.421 3.297 20 10 FGCDLO CCO[C@H]1COCC[C@H]1[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000883087856 737521029 /nfs/dbraw/zinc/52/10/29/737521029.db2.gz KVOSPMHTHWPSOP-OLZOCXBDSA-N 1 2 364.667 3.092 20 10 FGCDLO NC(=O)c1ccc(C[N@H+](Cc2cc(F)cc(F)c2O)C2CC2)c(F)c1 ZINC000894834856 742340724 /nfs/dbraw/zinc/34/07/24/742340724.db2.gz DLDRKNBMBXUIJW-UHFFFAOYSA-N 1 2 350.340 3.073 20 10 FGCDLO NC(=O)c1ccc(C[N@@H+](Cc2cc(F)cc(F)c2O)C2CC2)c(F)c1 ZINC000894834856 742340732 /nfs/dbraw/zinc/34/07/32/742340732.db2.gz DLDRKNBMBXUIJW-UHFFFAOYSA-N 1 2 350.340 3.073 20 10 FGCDLO C[C@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@H]1n1cc[nH+]c1 ZINC000896980949 742625996 /nfs/dbraw/zinc/62/59/96/742625996.db2.gz PSWTYVBPKUAZRZ-WCQYABFASA-N 1 2 357.435 3.232 20 10 FGCDLO Cn1nc(C[NH2+]Cc2cccc(Br)c2O)cc1C(F)(F)F ZINC000898023306 742735063 /nfs/dbraw/zinc/73/50/63/742735063.db2.gz VGIQKLCQENZKII-UHFFFAOYSA-N 1 2 364.165 3.197 20 10 FGCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c1O ZINC000179506348 495620248 /nfs/dbraw/zinc/62/02/48/495620248.db2.gz IDCJBKWNHNNBTM-ZDUSSCGKSA-N 1 2 358.417 3.109 20 10 FGCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c1O ZINC000179506348 495620249 /nfs/dbraw/zinc/62/02/49/495620249.db2.gz IDCJBKWNHNNBTM-ZDUSSCGKSA-N 1 2 358.417 3.109 20 10 FGCDLO C[C@@H]([NH2+]Cc1ccccc1CN1CCCC1=O)c1cc([N+](=O)[O-])ccc1O ZINC000273387117 496791103 /nfs/dbraw/zinc/79/11/03/496791103.db2.gz JUZVQIUIZZCSRZ-CQSZACIVSA-N 1 2 369.421 3.274 20 10 FGCDLO COc1ccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2O)c(OC)c1OC ZINC000273426692 496802962 /nfs/dbraw/zinc/80/29/62/496802962.db2.gz ULFMURKYRPNLHD-LLVKDONJSA-N 1 2 362.382 3.177 20 10 FGCDLO CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2O)s1 ZINC000279921018 497589249 /nfs/dbraw/zinc/58/92/49/497589249.db2.gz ADMPQXDFOCSJPF-SNVBAGLBSA-N 1 2 370.452 3.006 20 10 FGCDLO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000276899640 497682090 /nfs/dbraw/zinc/68/20/90/497682090.db2.gz ITXQKVNHSAAIES-GTNSWQLSSA-N 1 2 373.403 3.160 20 10 FGCDLO Oc1cc2c(cc1C[N@@H+]1CCCC[C@H]1c1nnc([C@H]3CCCO3)o1)OCO2 ZINC000288554975 497830189 /nfs/dbraw/zinc/83/01/89/497830189.db2.gz IZUOGLSEHLUUKW-DZGCQCFKSA-N 1 2 373.409 3.083 20 10 FGCDLO Oc1cc2c(cc1C[N@H+]1CCCC[C@H]1c1nnc([C@H]3CCCO3)o1)OCO2 ZINC000288554975 497830200 /nfs/dbraw/zinc/83/02/00/497830200.db2.gz IZUOGLSEHLUUKW-DZGCQCFKSA-N 1 2 373.409 3.083 20 10 FGCDLO COCCn1cc2c(n1)[C@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1O)CCC2 ZINC000364784920 498141858 /nfs/dbraw/zinc/14/18/58/498141858.db2.gz JGXTUSBPISMATI-XHDPSFHLSA-N 1 2 351.397 3.242 20 10 FGCDLO Nc1nc(NCc2ccc(N3CCSCC3)cc2)[nH+]c2ccccc12 ZINC000301783551 498263807 /nfs/dbraw/zinc/26/38/07/498263807.db2.gz KOUZFKUUZHSJGZ-UHFFFAOYSA-N 1 2 351.479 3.377 20 10 FGCDLO C[C@H]([NH2+][C@H](C(N)=O)c1ccccn1)c1ccc(N2CCCCC2)c(F)c1 ZINC000297445985 498452028 /nfs/dbraw/zinc/45/20/28/498452028.db2.gz WOUZWXXFCRATMG-LIRRHRJNSA-N 1 2 356.445 3.088 20 10 FGCDLO CS(=O)(=O)c1ccc2c(c1)CC[N@@H+](Cc1cccc(Cl)c1O)CC2 ZINC000367171642 499156979 /nfs/dbraw/zinc/15/69/79/499156979.db2.gz GLWCFWXEEKVGNY-UHFFFAOYSA-N 1 2 365.882 3.050 20 10 FGCDLO CS(=O)(=O)c1ccc2c(c1)CC[N@H+](Cc1cccc(Cl)c1O)CC2 ZINC000367171642 499156981 /nfs/dbraw/zinc/15/69/81/499156981.db2.gz GLWCFWXEEKVGNY-UHFFFAOYSA-N 1 2 365.882 3.050 20 10 FGCDLO Cc1ncsc1C(=O)N1CCC[N@H+](Cc2cccc(Cl)c2O)CC1 ZINC000367752631 499231059 /nfs/dbraw/zinc/23/10/59/499231059.db2.gz XZSHIYXKVWJBLD-UHFFFAOYSA-N 1 2 365.886 3.159 20 10 FGCDLO Cc1ncsc1C(=O)N1CCC[N@@H+](Cc2cccc(Cl)c2O)CC1 ZINC000367752631 499231060 /nfs/dbraw/zinc/23/10/60/499231060.db2.gz XZSHIYXKVWJBLD-UHFFFAOYSA-N 1 2 365.886 3.159 20 10 FGCDLO Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@H](C)c1cc(Br)cc(F)c1[O-])C2 ZINC000368314727 499284503 /nfs/dbraw/zinc/28/45/03/499284503.db2.gz FHTPCORHIPXQBW-ZYHUDNBSSA-N 1 2 368.250 3.464 20 10 FGCDLO CCCn1nc2c(cc1=O)C[N@@H+](Cc1cc(Cl)cc(Cl)c1O)CC2 ZINC000371311757 499308845 /nfs/dbraw/zinc/30/88/45/499308845.db2.gz ZCYKSOXWPWOPDR-UHFFFAOYSA-N 1 2 368.264 3.224 20 10 FGCDLO CCCn1nc2c(cc1=O)C[N@H+](Cc1cc(Cl)cc(Cl)c1O)CC2 ZINC000371311757 499308846 /nfs/dbraw/zinc/30/88/46/499308846.db2.gz ZCYKSOXWPWOPDR-UHFFFAOYSA-N 1 2 368.264 3.224 20 10 FGCDLO CCN(CC)c1ccc(CNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1 ZINC000371906021 499377844 /nfs/dbraw/zinc/37/78/44/499377844.db2.gz MXFFYYJVNPMZSP-UHFFFAOYSA-N 1 2 355.486 3.345 20 10 FGCDLO CCN(CC)c1ccc(CNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000371906021 499377845 /nfs/dbraw/zinc/37/78/45/499377845.db2.gz MXFFYYJVNPMZSP-UHFFFAOYSA-N 1 2 355.486 3.345 20 10 FGCDLO COc1c(C)c[nH+]c(CN(C)C(=O)NCc2ccc3c(c2)CCN3C)c1C ZINC000372452537 499436722 /nfs/dbraw/zinc/43/67/22/499436722.db2.gz BJRBXBQJBHJNSH-UHFFFAOYSA-N 1 2 368.481 3.041 20 10 FGCDLO C[C@]1(O)CCOC[C@@H]1[C@H]1CCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1O ZINC000375420615 499516918 /nfs/dbraw/zinc/51/69/18/499516918.db2.gz XBVLYSFZNUIRPW-UNEWFSDZSA-N 1 2 360.281 3.451 20 10 FGCDLO C[C@]1(O)CCOC[C@@H]1[C@H]1CCC[N@H+]1Cc1cc(Cl)cc(Cl)c1O ZINC000375420615 499516919 /nfs/dbraw/zinc/51/69/19/499516919.db2.gz XBVLYSFZNUIRPW-UNEWFSDZSA-N 1 2 360.281 3.451 20 10 FGCDLO CC[C@@H](CSC)NC(=O)N(C)C1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000378463568 499520432 /nfs/dbraw/zinc/52/04/32/499520432.db2.gz RDOBWUBPPDBJKD-HNNXBMFYSA-N 1 2 365.543 3.447 20 10 FGCDLO Oc1c(Cl)cccc1C[NH2+][C@H]1CCc2nnc(Cc3ccccc3)n2C1 ZINC000378536005 499529360 /nfs/dbraw/zinc/52/93/60/499529360.db2.gz SOPSQZWKSXJDLN-INIZCTEOSA-N 1 2 368.868 3.333 20 10 FGCDLO COc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)c(O)c1 ZINC000529230374 504594384 /nfs/dbraw/zinc/59/43/84/504594384.db2.gz VUXHVLKURYSBGG-SFHVURJKSA-N 1 2 374.868 3.335 20 10 FGCDLO COc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)c(O)c1 ZINC000529230374 504594389 /nfs/dbraw/zinc/59/43/89/504594389.db2.gz VUXHVLKURYSBGG-SFHVURJKSA-N 1 2 374.868 3.335 20 10 FGCDLO Oc1ccc(Cl)cc1C[N@H+]1CCOC[C@@H]1C[C@@H](O)c1cccs1 ZINC000091920903 700428495 /nfs/dbraw/zinc/42/84/95/700428495.db2.gz UNPIOSLWHJSJAW-GOEBONIOSA-N 1 2 353.871 3.432 20 10 FGCDLO Oc1ccc(Cl)cc1C[N@@H+]1CCOC[C@@H]1C[C@@H](O)c1cccs1 ZINC000091920903 700428497 /nfs/dbraw/zinc/42/84/97/700428497.db2.gz UNPIOSLWHJSJAW-GOEBONIOSA-N 1 2 353.871 3.432 20 10 FGCDLO COC(=O)c1cc(C[N@H+](C)Cc2cccc(Br)c2O)oc1C ZINC000122429103 700689601 /nfs/dbraw/zinc/68/96/01/700689601.db2.gz CTMSGHWVZGXHDC-UHFFFAOYSA-N 1 2 368.227 3.475 20 10 FGCDLO Cc1ccc2[nH+]cc(/C=C3/SC(=S)N(c4cccnc4)C3=O)n2c1 ZINC000151385710 704921589 /nfs/dbraw/zinc/92/15/89/704921589.db2.gz SAYWCVQPIYQBSN-VGOFMYFVSA-N 1 2 352.444 3.444 20 10 FGCDLO COC(=O)[C@@H]1CCCCC[N@@H+]1Cc1cc(C)cc(Br)c1O ZINC000781920493 724612685 /nfs/dbraw/zinc/61/26/85/724612685.db2.gz LEYMVSMHPSDFNC-AWEZNQCLSA-N 1 2 356.260 3.381 20 10 FGCDLO COC(=O)[C@@H]1CCCCC[N@H+]1Cc1cc(C)cc(Br)c1O ZINC000781920493 724612687 /nfs/dbraw/zinc/61/26/87/724612687.db2.gz LEYMVSMHPSDFNC-AWEZNQCLSA-N 1 2 356.260 3.381 20 10 FGCDLO C[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1O)c1cccc(NS(C)(=O)=O)c1 ZINC000756495490 722965593 /nfs/dbraw/zinc/96/55/93/722965593.db2.gz RSBMGRHQARAQBF-MNOVXSKESA-N 1 2 370.421 3.454 20 10 FGCDLO COc1cc(Br)cc(C[N@@H+]2CCO[C@H](C(C)(C)C)C2)c1O ZINC000790930386 723195009 /nfs/dbraw/zinc/19/50/09/723195009.db2.gz BDDOKWRXKRLTTA-AWEZNQCLSA-N 1 2 358.276 3.410 20 10 FGCDLO COc1cc(Br)cc(C[N@H+]2CCO[C@H](C(C)(C)C)C2)c1O ZINC000790930386 723195012 /nfs/dbraw/zinc/19/50/12/723195012.db2.gz BDDOKWRXKRLTTA-AWEZNQCLSA-N 1 2 358.276 3.410 20 10 FGCDLO C[C@H]([NH2+][C@@H](C(N)=O)c1cccc(Br)c1)c1ccc(F)cc1O ZINC000794826551 723547854 /nfs/dbraw/zinc/54/78/54/723547854.db2.gz CJUDXMJUUYMREO-BJOHPYRUSA-N 1 2 367.218 3.171 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c1O ZINC000769900592 723699760 /nfs/dbraw/zinc/69/97/60/723699760.db2.gz QFZQACVQBGTVDO-ZUZCIYMTSA-N 1 2 365.779 3.383 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c1O ZINC000769900592 723699762 /nfs/dbraw/zinc/69/97/62/723699762.db2.gz QFZQACVQBGTVDO-ZUZCIYMTSA-N 1 2 365.779 3.383 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)c1O ZINC000769900587 723699840 /nfs/dbraw/zinc/69/98/40/723699840.db2.gz QFZQACVQBGTVDO-BONVTDFDSA-N 1 2 365.779 3.383 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)c1O ZINC000769900587 723699841 /nfs/dbraw/zinc/69/98/41/723699841.db2.gz QFZQACVQBGTVDO-BONVTDFDSA-N 1 2 365.779 3.383 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)c1O ZINC000797527243 723830653 /nfs/dbraw/zinc/83/06/53/723830653.db2.gz DWIXDALDJAKESZ-QHRIQVFBSA-N 1 2 367.873 3.407 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)c1O ZINC000797527243 723830656 /nfs/dbraw/zinc/83/06/56/723830656.db2.gz DWIXDALDJAKESZ-QHRIQVFBSA-N 1 2 367.873 3.407 20 10 FGCDLO Oc1c(Cl)cccc1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000776024881 724098986 /nfs/dbraw/zinc/09/89/86/724098986.db2.gz ZDWRLZPMPJFKMX-UHFFFAOYSA-N 1 2 350.821 3.311 20 10 FGCDLO Cc1[nH+]ccn1CCCCNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805149788 725053295 /nfs/dbraw/zinc/05/32/95/725053295.db2.gz MXCYXPJTJHLFMH-UHFFFAOYSA-N 1 2 371.268 3.484 20 10 FGCDLO CCOCc1cc(C[NH2+][C@H](C)c2ncc(C(=O)OC)s2)ccc1OC ZINC000818230451 727302689 /nfs/dbraw/zinc/30/26/89/727302689.db2.gz BVOIAOUMTKPCGO-GFCCVEGCSA-N 1 2 364.467 3.326 20 10 FGCDLO CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000824494846 729343141 /nfs/dbraw/zinc/34/31/41/729343141.db2.gz UUARYXAGPFVJEQ-HBYGRHMLSA-N 1 2 356.825 3.140 20 10 FGCDLO COc1cccc(O)c1C[NH2+][C@@H](CCNC(=O)OC(C)(C)C)C(F)F ZINC000824672995 729354130 /nfs/dbraw/zinc/35/41/30/729354130.db2.gz MIUKATSXSMTCPG-LBPRGKRZSA-N 1 2 360.401 3.039 20 10 FGCDLO CN(C)C(=O)C[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)c1ccccc1 ZINC000824926099 729365418 /nfs/dbraw/zinc/36/54/18/729365418.db2.gz JETYFAOEKIZJDA-MRXNPFEDSA-N 1 2 350.821 3.494 20 10 FGCDLO Cc1cc(O)c(C[N@@H+]2CCOC[C@@H]2C[C@@H](O)c2ccco2)cc1Cl ZINC000824933559 729365535 /nfs/dbraw/zinc/36/55/35/729365535.db2.gz HDMZRBDJVFOJOS-WMLDXEAASA-N 1 2 351.830 3.272 20 10 FGCDLO Cc1cc(O)c(C[N@H+]2CCOC[C@@H]2C[C@@H](O)c2ccco2)cc1Cl ZINC000824933559 729365536 /nfs/dbraw/zinc/36/55/36/729365536.db2.gz HDMZRBDJVFOJOS-WMLDXEAASA-N 1 2 351.830 3.272 20 10 FGCDLO Oc1ccc2c(c1)OCC[N@@H+](Cc1ccc(Br)cc1O)C2 ZINC000825886190 729398455 /nfs/dbraw/zinc/39/84/55/729398455.db2.gz NASYIKNAWHXBHU-UHFFFAOYSA-N 1 2 350.212 3.255 20 10 FGCDLO Oc1ccc2c(c1)OCC[N@H+](Cc1ccc(Br)cc1O)C2 ZINC000825886190 729398456 /nfs/dbraw/zinc/39/84/56/729398456.db2.gz NASYIKNAWHXBHU-UHFFFAOYSA-N 1 2 350.212 3.255 20 10 FGCDLO COC1CCN(c2ccc(C[N@H+](C)Cc3ncc(Cl)n3C)cc2)CC1 ZINC000828745870 729447455 /nfs/dbraw/zinc/44/74/55/729447455.db2.gz WVIOFONSHXVCGM-UHFFFAOYSA-N 1 2 362.905 3.321 20 10 FGCDLO COC1CCN(c2ccc(C[N@@H+](C)Cc3ncc(Cl)n3C)cc2)CC1 ZINC000828745870 729447456 /nfs/dbraw/zinc/44/74/56/729447456.db2.gz WVIOFONSHXVCGM-UHFFFAOYSA-N 1 2 362.905 3.321 20 10 FGCDLO CCc1nsc(N2CC[NH+](C/C=C\c3ccc(N(C)C)cc3)CC2)n1 ZINC000835025084 729850419 /nfs/dbraw/zinc/85/04/19/729850419.db2.gz DLDYBBHPPNJOTQ-WAYWQWQTSA-N 1 2 357.527 3.002 20 10 FGCDLO CN(C)c1ccc(/C=C/C[NH+]2CCN(CC(F)(F)C(F)F)CC2)cc1 ZINC000835026909 729850626 /nfs/dbraw/zinc/85/06/26/729850626.db2.gz AMTCUPNNVVLUJN-ONEGZZNKSA-N 1 2 359.411 3.284 20 10 FGCDLO COC(=O)c1ccc(N2CC[NH+](Cc3cccc(Cl)c3O)CC2)s1 ZINC000835056459 729853582 /nfs/dbraw/zinc/85/35/82/729853582.db2.gz JMJYDEPWZVXWGI-UHFFFAOYSA-N 1 2 366.870 3.216 20 10 FGCDLO COCC[N@H+](Cc1c(C)nn(C)c1C)Cc1cc(Cl)cc(F)c1O ZINC000835075058 729856717 /nfs/dbraw/zinc/85/67/17/729856717.db2.gz OJRCYUDHDYLXMQ-UHFFFAOYSA-N 1 2 355.841 3.184 20 10 FGCDLO COCC[N@@H+](Cc1c(C)nn(C)c1C)Cc1cc(Cl)cc(F)c1O ZINC000835075058 729856720 /nfs/dbraw/zinc/85/67/20/729856720.db2.gz OJRCYUDHDYLXMQ-UHFFFAOYSA-N 1 2 355.841 3.184 20 10 FGCDLO C[C@@H]([NH2+][C@H](COC(N)=O)Cc1ccccc1)c1cc(F)cc(F)c1O ZINC000840864924 730185136 /nfs/dbraw/zinc/18/51/36/730185136.db2.gz RLQNMXREPRTJOZ-RISCZKNCSA-N 1 2 350.365 3.442 20 10 FGCDLO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]Cc2cccc(Br)c2O)cn1 ZINC000850385020 731350610 /nfs/dbraw/zinc/35/06/10/731350610.db2.gz WORQYWKGCQDJPZ-BBRMVZONSA-N 1 2 364.287 3.389 20 10 FGCDLO C[C@@H]([NH2+]Cc1nc(C(N)=O)cs1)c1ccc(N2CCCCC2)c(F)c1 ZINC000850539993 731371049 /nfs/dbraw/zinc/37/10/49/731371049.db2.gz HDQYWUBJYONMHO-GFCCVEGCSA-N 1 2 362.474 3.222 20 10 FGCDLO C[C@](CO)([NH2+]Cc1ccc(F)c(F)c1O)c1ccc(Br)cc1 ZINC000877515471 736676993 /nfs/dbraw/zinc/67/69/93/736676993.db2.gz GGGSQFWWJFFYID-MRXNPFEDSA-N 1 2 372.209 3.430 20 10 FGCDLO COC(=O)c1cc(C2CC[NH+](Cc3cc(Cl)cc(F)c3O)CC2)no1 ZINC000877704713 736708506 /nfs/dbraw/zinc/70/85/06/736708506.db2.gz SQPRAECUUPVBDK-UHFFFAOYSA-N 1 2 368.792 3.339 20 10 FGCDLO Cn1nc(C(=O)OC(C)(C)C)cc1C[NH2+]Cc1cccc(Cl)c1O ZINC000898214986 742759254 /nfs/dbraw/zinc/75/92/54/742759254.db2.gz IGAHAJVLKDLDRJ-UHFFFAOYSA-N 1 2 351.834 3.024 20 10 FGCDLO CC[N@H+](Cc1cn(C2CC2)nn1)Cc1cc(Br)ccc1O ZINC000906272619 744110669 /nfs/dbraw/zinc/11/06/69/744110669.db2.gz HONJRGCJYDKBDS-UHFFFAOYSA-N 1 2 351.248 3.103 20 10 FGCDLO CC[N@@H+](Cc1cn(C2CC2)nn1)Cc1cc(Br)ccc1O ZINC000906272619 744110671 /nfs/dbraw/zinc/11/06/71/744110671.db2.gz HONJRGCJYDKBDS-UHFFFAOYSA-N 1 2 351.248 3.103 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)c3ccc(NC=O)cc3)CC2)cc1 ZINC000081315195 493866970 /nfs/dbraw/zinc/86/69/70/493866970.db2.gz SLNZJVOCMOUYEY-UHFFFAOYSA-N 1 2 367.449 3.005 20 10 FGCDLO CCCN(Cc1ccccc1O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000066699987 494389269 /nfs/dbraw/zinc/38/92/69/494389269.db2.gz VTDZZMMWWGLLOU-UHFFFAOYSA-N 1 2 356.470 3.089 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)CC[C@@H]3CC[C@@H](C)O3)CC2)cc1 ZINC000075197053 494706133 /nfs/dbraw/zinc/70/61/33/494706133.db2.gz GRPYXIHRPZADFO-UZLBHIALSA-N 1 2 360.498 3.470 20 10 FGCDLO CC[C@H]([NH2+]CC1(C(N)=O)CCOCC1)c1ccc(Cl)c(Cl)c1O ZINC000155109033 495838270 /nfs/dbraw/zinc/83/82/70/495838270.db2.gz MTQJAILAMNFDEQ-LBPRGKRZSA-N 1 2 361.269 3.022 20 10 FGCDLO Oc1c(Cl)cccc1C[N@H+]1CCOC[C@@H]1C[C@H](O)c1cccs1 ZINC000180705226 496110919 /nfs/dbraw/zinc/11/09/19/496110919.db2.gz WHKKUALNAYFSMQ-ZFWWWQNUSA-N 1 2 353.871 3.432 20 10 FGCDLO Oc1c(Cl)cccc1C[N@@H+]1CCOC[C@@H]1C[C@H](O)c1cccs1 ZINC000180705226 496110923 /nfs/dbraw/zinc/11/09/23/496110923.db2.gz WHKKUALNAYFSMQ-ZFWWWQNUSA-N 1 2 353.871 3.432 20 10 FGCDLO C[C@H]([NH2+]CCNc1nccc(C(F)(F)F)n1)c1ccc(F)c(F)c1O ZINC000187727544 496547883 /nfs/dbraw/zinc/54/78/83/496547883.db2.gz BDDXLRPUVITQEZ-QMMMGPOBSA-N 1 2 362.302 3.242 20 10 FGCDLO Oc1c(Br)cccc1C[NH2+]C1CCN(c2nccs2)CC1 ZINC000278302523 497067601 /nfs/dbraw/zinc/06/76/01/497067601.db2.gz DOJUWKNHBPFUQG-UHFFFAOYSA-N 1 2 368.300 3.370 20 10 FGCDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1c(F)ccc(O)c1O ZINC000276574925 497604229 /nfs/dbraw/zinc/60/42/29/497604229.db2.gz KWUQLMCMPJUVFU-UHFFFAOYSA-N 1 2 373.428 3.011 20 10 FGCDLO C[C@@H](c1cccc(NC(=O)/C=C/c2ccc(O)c(O)c2)c1)[NH+]1CCOCC1 ZINC000272435557 497628330 /nfs/dbraw/zinc/62/83/30/497628330.db2.gz LYGCOORKGITRKQ-VFADXPBXSA-N 1 2 368.433 3.143 20 10 FGCDLO CCn1ccnc1[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000281115846 498026296 /nfs/dbraw/zinc/02/62/96/498026296.db2.gz MEQASNKDGRXBEI-HNNXBMFYSA-N 1 2 360.414 3.253 20 10 FGCDLO CCn1ccnc1[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000281115846 498026302 /nfs/dbraw/zinc/02/63/02/498026302.db2.gz MEQASNKDGRXBEI-HNNXBMFYSA-N 1 2 360.414 3.253 20 10 FGCDLO COc1c(O)c(C[NH2+][C@H](C)c2noc(-c3ccccc3)n2)ccc1[N+](=O)[O-] ZINC000364755646 498129725 /nfs/dbraw/zinc/12/97/25/498129725.db2.gz BZDFOQVVGMCWQY-LLVKDONJSA-N 1 2 370.365 3.210 20 10 FGCDLO C[C@@H]([NH2+][C@H](C(N)=O)c1ccccn1)c1ccc(N2CCCCCC2)cc1 ZINC000297417848 498442285 /nfs/dbraw/zinc/44/22/85/498442285.db2.gz UMAMSGRXXRWWRC-UZLBHIALSA-N 1 2 352.482 3.339 20 10 FGCDLO C[C@H](Nc1cc(N2CCCC[C@@H]2CO)nc[nH+]1)c1ccc(N(C)C)cc1 ZINC000302831377 498593877 /nfs/dbraw/zinc/59/38/77/498593877.db2.gz LCNUAKCMAVGPHD-MAUKXSAKSA-N 1 2 355.486 3.067 20 10 FGCDLO C[C@H](Nc1cc(N2CCCC[C@@H]2CO)[nH+]cn1)c1ccc(N(C)C)cc1 ZINC000302831377 498593882 /nfs/dbraw/zinc/59/38/82/498593882.db2.gz LCNUAKCMAVGPHD-MAUKXSAKSA-N 1 2 355.486 3.067 20 10 FGCDLO COc1ccc(N2CCC(Nc3cc(N4CCCC4)nc[nH+]3)CC2)cc1 ZINC000302885288 498616731 /nfs/dbraw/zinc/61/67/31/498616731.db2.gz KQLZNRSDHMEEPF-UHFFFAOYSA-N 1 2 353.470 3.166 20 10 FGCDLO O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000363265594 498736115 /nfs/dbraw/zinc/73/61/15/498736115.db2.gz GIUXEMYSCXVHFL-LJQANCHMSA-N 1 2 364.493 3.215 20 10 FGCDLO C[C@@H]([NH2+]Cc1ccncc1OC[C@@H]1CCOC1)c1ccc(F)c(F)c1O ZINC000287408557 498745488 /nfs/dbraw/zinc/74/54/88/498745488.db2.gz RHZXJWTVLCPFBE-CHWSQXEVSA-N 1 2 364.392 3.332 20 10 FGCDLO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1O)c1ccc(N2CCCNC2=O)cc1 ZINC000291098944 498794303 /nfs/dbraw/zinc/79/43/03/498794303.db2.gz QWQGDSUYWTYQMM-CYBMUJFWSA-N 1 2 370.409 3.071 20 10 FGCDLO C[C@@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1)c1ccc(Cl)c(Cl)c1O ZINC000363864153 499030975 /nfs/dbraw/zinc/03/09/75/499030975.db2.gz CLKFERKNXQIIRH-MNOVXSKESA-N 1 2 355.269 3.362 20 10 FGCDLO CC[C@H]([NH2+]Cc1nnc2n1CCOC2)c1cc(Cl)cc(Cl)c1O ZINC000367897012 499242911 /nfs/dbraw/zinc/24/29/11/499242911.db2.gz QGAJNCGLIHBMTH-LBPRGKRZSA-N 1 2 357.241 3.062 20 10 FGCDLO C[C@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)c1ccc(Cl)c(Cl)c1O ZINC000368211913 499274425 /nfs/dbraw/zinc/27/44/25/499274425.db2.gz JYAUKRCAEPLGJB-HZMBPMFUSA-N 1 2 373.280 3.130 20 10 FGCDLO C[C@]1(O)CCOC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1O ZINC000375420612 499516882 /nfs/dbraw/zinc/51/68/82/499516882.db2.gz XBVLYSFZNUIRPW-KMFMINBZSA-N 1 2 360.281 3.451 20 10 FGCDLO C[C@]1(O)CCOC[C@@H]1[C@@H]1CCC[N@H+]1Cc1cc(Cl)cc(Cl)c1O ZINC000375420612 499516884 /nfs/dbraw/zinc/51/68/84/499516884.db2.gz XBVLYSFZNUIRPW-KMFMINBZSA-N 1 2 360.281 3.451 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)[C@@H]3CCC(=O)C[C@@H]3C)CC2)cc1 ZINC000378462748 499520080 /nfs/dbraw/zinc/52/00/80/499520080.db2.gz OGQMCCRJLKEHHX-MGPUTAFESA-N 1 2 358.482 3.128 20 10 FGCDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000376428414 499608098 /nfs/dbraw/zinc/60/80/98/499608098.db2.gz OQWMJWQTTXHMSR-SFHVURJKSA-N 1 2 367.497 3.110 20 10 FGCDLO O=C1c2ccccc2C(=O)N1CCC1=CCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000530535702 504001248 /nfs/dbraw/zinc/00/12/48/504001248.db2.gz UQMNATXQNGTDSS-UHFFFAOYSA-N 1 2 374.444 3.177 20 10 FGCDLO CCOc1ccc(O)c(C[NH2+]CC(F)(F)CNC(=O)OC(C)(C)C)c1 ZINC000189282091 712791080 /nfs/dbraw/zinc/79/10/80/712791080.db2.gz CIBVPJWOXYUHHX-UHFFFAOYSA-N 1 2 360.401 3.041 20 10 FGCDLO C[C@@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1cc(F)cc(F)c1O ZINC000756635644 722968077 /nfs/dbraw/zinc/96/80/77/722968077.db2.gz SIBWMDKCCWGLLD-LLVKDONJSA-N 1 2 355.406 3.066 20 10 FGCDLO COC(=O)C[N@H+](Cc1ccc(N(C)C)cc1)Cc1cc(Cl)ccc1O ZINC000769382252 723683824 /nfs/dbraw/zinc/68/38/24/723683824.db2.gz WNVAPUIUWXUQSG-UHFFFAOYSA-N 1 2 362.857 3.287 20 10 FGCDLO COC(=O)C[N@@H+](Cc1ccc(N(C)C)cc1)Cc1cc(Cl)ccc1O ZINC000769382252 723683825 /nfs/dbraw/zinc/68/38/25/723683825.db2.gz WNVAPUIUWXUQSG-UHFFFAOYSA-N 1 2 362.857 3.287 20 10 FGCDLO C[C@@H](CN(C)C(=O)OC(C)(C)C)[NH2+]Cc1cccc(Br)c1O ZINC000706458818 722411971 /nfs/dbraw/zinc/41/19/71/722411971.db2.gz BYDNBTMLSKGPTH-NSHDSACASA-N 1 2 373.291 3.500 20 10 FGCDLO O=C(N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)C1=CC(=O)CS1 ZINC000734017218 722503416 /nfs/dbraw/zinc/50/34/16/722503416.db2.gz GTSMFYQFQFEYOB-ZDUSSCGKSA-N 1 2 370.396 3.477 20 10 FGCDLO O=C(N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)C1=CC(=O)CS1 ZINC000734017218 722503417 /nfs/dbraw/zinc/50/34/17/722503417.db2.gz GTSMFYQFQFEYOB-ZDUSSCGKSA-N 1 2 370.396 3.477 20 10 FGCDLO CS[C@H](CO)[C@H](C)[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000756594638 722967399 /nfs/dbraw/zinc/96/73/99/722967399.db2.gz SNWLUVFOQDNSAR-BFHDXFOESA-N 1 2 352.269 3.057 20 10 FGCDLO C[C@H]([NH2+]CCNC(=O)c1ccc(Cl)cc1)c1cc(F)cc(F)c1O ZINC000756479336 722965386 /nfs/dbraw/zinc/96/53/86/722965386.db2.gz MHZQJZLOWAWSKN-JTQLQIEISA-N 1 2 354.784 3.404 20 10 FGCDLO C[C@@H]([NH2+]CCSCCCO)c1cc(Br)c(F)cc1O ZINC000756543549 722966549 /nfs/dbraw/zinc/96/65/49/722966549.db2.gz QGZJMZCZWBMNHZ-SECBINFHSA-N 1 2 352.269 3.060 20 10 FGCDLO C[C@@H]([NH2+]CCCN1CCCCC1=O)c1cc(Br)cc(F)c1O ZINC000756554859 722966747 /nfs/dbraw/zinc/96/67/47/722966747.db2.gz JUEHQULRLVTUPD-LLVKDONJSA-N 1 2 373.266 3.347 20 10 FGCDLO C[C@H]([NH2+]CCCN1CCCCC1=O)c1cc(Br)c(F)cc1O ZINC000756555875 722966862 /nfs/dbraw/zinc/96/68/62/722966862.db2.gz MOAAQGZZXAYCQA-NSHDSACASA-N 1 2 373.266 3.347 20 10 FGCDLO CSC[C@@H](CCO)[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000756604181 722967622 /nfs/dbraw/zinc/96/76/22/722967622.db2.gz MELISSIBZHFWNS-RKDXNWHRSA-N 1 2 352.269 3.058 20 10 FGCDLO C[C@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1cc(Br)c(F)cc1O ZINC000756762462 722969702 /nfs/dbraw/zinc/96/97/02/722969702.db2.gz WYZGVAUDSSRBTF-WCBMZHEXSA-N 1 2 354.223 3.225 20 10 FGCDLO NC(=O)[C@H]([NH2+]Cc1cccc(Cl)c1O)c1cccc(Br)c1 ZINC000793265742 723418885 /nfs/dbraw/zinc/41/88/85/723418885.db2.gz JIUIWYUZOJCIKA-CYBMUJFWSA-N 1 2 369.646 3.124 20 10 FGCDLO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+]1Cc1cc(Br)ccc1O ZINC000769497819 723687392 /nfs/dbraw/zinc/68/73/92/723687392.db2.gz CIUROAYEWDSZMP-CYBMUJFWSA-N 1 2 356.260 3.461 20 10 FGCDLO CC(C)(C)OC(=O)[C@H]1CCC[N@H+]1Cc1cc(Br)ccc1O ZINC000769497819 723687393 /nfs/dbraw/zinc/68/73/93/723687393.db2.gz CIUROAYEWDSZMP-CYBMUJFWSA-N 1 2 356.260 3.461 20 10 FGCDLO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2Cc2cc(Cl)cc(F)c2O)C[C@H](C)O1 ZINC000775660701 724018196 /nfs/dbraw/zinc/01/81/96/724018196.db2.gz GWBDGTNRMRZTJI-ZENOOKHLSA-N 1 2 356.869 3.258 20 10 FGCDLO C[C@@H]1CN(C[C@@H]2CCC[N@H+]2Cc2cc(Cl)cc(F)c2O)C[C@H](C)O1 ZINC000775660701 724018201 /nfs/dbraw/zinc/01/82/01/724018201.db2.gz GWBDGTNRMRZTJI-ZENOOKHLSA-N 1 2 356.869 3.258 20 10 FGCDLO C[N@H+](CCN1CCN(c2ccccc2)CC1)Cc1cccc(Cl)c1O ZINC000775711749 724028953 /nfs/dbraw/zinc/02/89/53/724028953.db2.gz IKVMZKHNXCXNSI-UHFFFAOYSA-N 1 2 359.901 3.300 20 10 FGCDLO C[N@@H+](CCN1CCN(c2ccccc2)CC1)Cc1cccc(Cl)c1O ZINC000775711749 724028960 /nfs/dbraw/zinc/02/89/60/724028960.db2.gz IKVMZKHNXCXNSI-UHFFFAOYSA-N 1 2 359.901 3.300 20 10 FGCDLO C[C@@H]([NH2+]Cc1cc(Br)cc(Br)c1O)C(C)(C)O ZINC000776151688 724114048 /nfs/dbraw/zinc/11/40/48/724114048.db2.gz UDTMMJRHUOBAHI-SSDOTTSWSA-N 1 2 367.081 3.166 20 10 FGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]CC1(N2CCCCC2)CCOCC1 ZINC000777471575 724229196 /nfs/dbraw/zinc/22/91/96/724229196.db2.gz QLRDHIIBRNGOFO-UHFFFAOYSA-N 1 2 356.869 3.309 20 10 FGCDLO CCc1nnc(C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)s1 ZINC000810175651 725294832 /nfs/dbraw/zinc/29/48/32/725294832.db2.gz ACUBVIDJPCGEBV-UHFFFAOYSA-N 1 2 361.471 3.289 20 10 FGCDLO O=C(NC1CC1)OC[C@H]1CCCC[N@H+]1Cc1c(O)ccc(Cl)c1F ZINC000811511710 725371470 /nfs/dbraw/zinc/37/14/70/725371470.db2.gz RJUFERWBAKNGQG-GFCCVEGCSA-N 1 2 356.825 3.428 20 10 FGCDLO O=C(NC1CC1)OC[C@H]1CCCC[N@@H+]1Cc1c(O)ccc(Cl)c1F ZINC000811511710 725371473 /nfs/dbraw/zinc/37/14/73/725371473.db2.gz RJUFERWBAKNGQG-GFCCVEGCSA-N 1 2 356.825 3.428 20 10 FGCDLO Cc1cc(Br)c(O)c(C[NH2+]Cc2ncn(-c3ccccc3)n2)c1 ZINC000815162273 727047102 /nfs/dbraw/zinc/04/71/02/727047102.db2.gz HXFVPIOWXZHIKD-UHFFFAOYSA-N 1 2 373.254 3.334 20 10 FGCDLO CC[C@H](CO)[N@H+](C)Cc1cc(Br)cc(Br)c1O ZINC000824534015 729345984 /nfs/dbraw/zinc/34/59/84/729345984.db2.gz XDJZAXGTZAIVAU-SNVBAGLBSA-N 1 2 367.081 3.120 20 10 FGCDLO CC[C@H](CO)[N@@H+](C)Cc1cc(Br)cc(Br)c1O ZINC000824534015 729345985 /nfs/dbraw/zinc/34/59/85/729345985.db2.gz XDJZAXGTZAIVAU-SNVBAGLBSA-N 1 2 367.081 3.120 20 10 FGCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCN(CC(F)(F)F)C[C@@H](C)C2)c1O ZINC000832285754 729702559 /nfs/dbraw/zinc/70/25/59/729702559.db2.gz WVNAPUSIFARGNC-NSHDSACASA-N 1 2 362.367 3.050 20 10 FGCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCN(CC(F)(F)F)C[C@@H](C)C2)c1O ZINC000832285754 729702560 /nfs/dbraw/zinc/70/25/60/729702560.db2.gz WVNAPUSIFARGNC-NSHDSACASA-N 1 2 362.367 3.050 20 10 FGCDLO CC[C@H]([NH2+][C@@H](C)c1cc(Br)cc(F)c1O)[C@@H](O)C(F)F ZINC000834876083 729841201 /nfs/dbraw/zinc/84/12/01/729841201.db2.gz YEMOXSANYIYIKQ-LTEOIEINSA-N 1 2 356.182 3.349 20 10 FGCDLO COCC[N@H+](Cc1c(C)nn(C)c1C)Cc1c(O)ccc(Cl)c1F ZINC000835073342 729856362 /nfs/dbraw/zinc/85/63/62/729856362.db2.gz MRUKLZLCEBBCHL-UHFFFAOYSA-N 1 2 355.841 3.184 20 10 FGCDLO COCC[N@@H+](Cc1c(C)nn(C)c1C)Cc1c(O)ccc(Cl)c1F ZINC000835073342 729856364 /nfs/dbraw/zinc/85/63/64/729856364.db2.gz MRUKLZLCEBBCHL-UHFFFAOYSA-N 1 2 355.841 3.184 20 10 FGCDLO Cc1cnc(OC2CC[NH+](Cc3cc(Cl)cc(F)c3O)CC2)nc1 ZINC000848924816 731220972 /nfs/dbraw/zinc/22/09/72/731220972.db2.gz BRVMGOPTMKWCGO-UHFFFAOYSA-N 1 2 351.809 3.327 20 10 FGCDLO C[C@H]([NH2+][C@H]1C[C@H](C)n2ncnc21)c1cc(Br)c(F)cc1O ZINC000850498875 731364957 /nfs/dbraw/zinc/36/49/57/731364957.db2.gz FEURDYSQOUUHDE-UBJUHAIHSA-N 1 2 355.211 3.242 20 10 FGCDLO C[C@H]([NH2+][C@H]1CCN(C2CCC2)C1=O)c1cc(Br)cc(F)c1O ZINC000858602594 732230897 /nfs/dbraw/zinc/23/08/97/732230897.db2.gz DECVDXGXJRGSON-XPTSAGLGSA-N 1 2 371.250 3.098 20 10 FGCDLO COC(=O)C1C[C@@H](C)[NH+](Cc2cc(Cl)cc(C(C)=O)c2O)[C@H](C)C1 ZINC000860189716 732466506 /nfs/dbraw/zinc/46/65/06/732466506.db2.gz WHJUFSZMFRICQL-GHMZBOCLSA-N 1 2 353.846 3.410 20 10 FGCDLO C[C@@H]1C[N@H+](Cc2cc(F)c(N(C)C)cc2F)C[C@]2(CCO[C@H](C)C2)O1 ZINC000862353721 732814235 /nfs/dbraw/zinc/81/42/35/732814235.db2.gz YAQRSNYMOQWTJV-PJIJBLCYSA-N 1 2 354.441 3.189 20 10 FGCDLO C[C@@H]1C[N@@H+](Cc2cc(F)c(N(C)C)cc2F)C[C@]2(CCO[C@H](C)C2)O1 ZINC000862353721 732814238 /nfs/dbraw/zinc/81/42/38/732814238.db2.gz YAQRSNYMOQWTJV-PJIJBLCYSA-N 1 2 354.441 3.189 20 10 FGCDLO Cc1cnc(C[NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)o1 ZINC000876941784 736165757 /nfs/dbraw/zinc/16/57/57/736165757.db2.gz QFMRBAMLRBIBSR-UHFFFAOYSA-N 1 2 355.360 3.128 20 10 FGCDLO COC(=O)c1cnc([C@H]2CC[N@H+](Cc3cccc(Cl)c3O)C2)s1 ZINC000896968915 742624126 /nfs/dbraw/zinc/62/41/26/742624126.db2.gz DVKIXHQQRDKRPH-NSHDSACASA-N 1 2 352.843 3.278 20 10 FGCDLO COC(=O)c1cnc([C@H]2CC[N@@H+](Cc3cccc(Cl)c3O)C2)s1 ZINC000896968915 742624128 /nfs/dbraw/zinc/62/41/28/742624128.db2.gz DVKIXHQQRDKRPH-NSHDSACASA-N 1 2 352.843 3.278 20 10 FGCDLO Oc1c(C[N@@H+]2CC[C@@H](c3nccc(C(F)(F)F)n3)C2)ccc(F)c1F ZINC000897613600 742694972 /nfs/dbraw/zinc/69/49/72/742694972.db2.gz IZFFBHCUVWWYCY-SNVBAGLBSA-N 1 2 359.298 3.469 20 10 FGCDLO C[C@@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)c1cc(F)cc(F)c1O ZINC000903478023 743854342 /nfs/dbraw/zinc/85/43/42/743854342.db2.gz JBDVODMARYTPNJ-PSASIEDQSA-N 1 2 372.213 3.295 20 10 FGCDLO CCCN(Cc1ccccc1O)C(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000066700933 494389046 /nfs/dbraw/zinc/38/90/46/494389046.db2.gz MKAUJKAAAFAABN-UHFFFAOYSA-N 1 2 352.438 3.470 20 10 FGCDLO CCc1nn(C)c(Cl)c1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000121293906 494686801 /nfs/dbraw/zinc/68/68/01/494686801.db2.gz WOYBXACRMQWULI-UHFFFAOYSA-N 1 2 362.905 3.105 20 10 FGCDLO CCc1nn(C)c(Cl)c1C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000121293906 494686810 /nfs/dbraw/zinc/68/68/10/494686810.db2.gz WOYBXACRMQWULI-UHFFFAOYSA-N 1 2 362.905 3.105 20 10 FGCDLO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000155852256 496087143 /nfs/dbraw/zinc/08/71/43/496087143.db2.gz NQLFIDQRRRHZMZ-SFHVURJKSA-N 1 2 352.482 3.094 20 10 FGCDLO CN(C)c1ccc(CN(C(=O)NCc2ccn3cc[nH+]c3c2)C2CC2)cc1 ZINC000268612874 496745866 /nfs/dbraw/zinc/74/58/66/496745866.db2.gz WNUBVTYELMQFDJ-UHFFFAOYSA-N 1 2 363.465 3.275 20 10 FGCDLO OC[C@H](C[C@@H](O)c1ccccc1)[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000269956834 497031919 /nfs/dbraw/zinc/03/19/19/497031919.db2.gz TWQPMGVORUZBCI-GOEBONIOSA-N 1 2 356.249 3.273 20 10 FGCDLO C[C@@H]([NH2+]Cc1ccncc1OCC(F)(F)F)c1cc([N+](=O)[O-])ccc1O ZINC000281660769 498228869 /nfs/dbraw/zinc/22/88/69/498228869.db2.gz QFQGCCKGPGJDMK-SNVBAGLBSA-N 1 2 371.315 3.487 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)[C@H]3Cc4ccccc4O3)CC2)cc1 ZINC000360427329 498275216 /nfs/dbraw/zinc/27/52/16/498275216.db2.gz UIPSPKVBLWCPAF-OAQYLSRUSA-N 1 2 366.461 3.126 20 10 FGCDLO CC[C@H]([NH2+]Cc1nnc2n1CCOC2)c1ccc(Cl)c(Cl)c1O ZINC000365152277 498325319 /nfs/dbraw/zinc/32/53/19/498325319.db2.gz BINCKQMKECUSGX-NSHDSACASA-N 1 2 357.241 3.062 20 10 FGCDLO O=C(NC1CC[NH+](Cc2c(O)ccc(Cl)c2F)CC1)c1ccoc1 ZINC000365242184 498369751 /nfs/dbraw/zinc/36/97/51/498369751.db2.gz NUCCCVWRMAORCO-UHFFFAOYSA-N 1 2 352.793 3.172 20 10 FGCDLO CC[C@@H]([NH2+][C@H](C(N)=O)c1ccccn1)c1cc(Cl)cc(Cl)c1O ZINC000297407633 498438190 /nfs/dbraw/zinc/43/81/90/498438190.db2.gz SZDPRWHMVACEBW-OCCSQVGLSA-N 1 2 354.237 3.361 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)c1O ZINC000286711042 498483886 /nfs/dbraw/zinc/48/38/86/498483886.db2.gz WTAOSJYHLHFTBU-FZMZJTMJSA-N 1 2 365.779 3.241 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)c1O ZINC000286711042 498483891 /nfs/dbraw/zinc/48/38/91/498483891.db2.gz WTAOSJYHLHFTBU-FZMZJTMJSA-N 1 2 365.779 3.241 20 10 FGCDLO COc1cc(O)c(CN[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)cc1OC ZINC000283079962 498771839 /nfs/dbraw/zinc/77/18/39/498771839.db2.gz RDDUOAXQRPXPMU-INIZCTEOSA-N 1 2 364.873 3.455 20 10 FGCDLO CCC[NH+](CCC)c1ccc(CNc2cccc(NC(=O)C(N)=O)c2)cc1 ZINC000283078640 498772012 /nfs/dbraw/zinc/77/20/12/498772012.db2.gz VKRSJUKKWFPSSW-UHFFFAOYSA-N 1 2 368.481 3.349 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)c3ocnc3C3CC3)CC2)cc1 ZINC000377385105 499685576 /nfs/dbraw/zinc/68/55/76/499685576.db2.gz PYPMKOJIFBIFLN-UHFFFAOYSA-N 1 2 355.438 3.302 20 10 FGCDLO CCOc1cccc(C[NH2+]CC(F)(F)CNC(=O)OC(C)(C)C)c1O ZINC000189284759 712791012 /nfs/dbraw/zinc/79/10/12/712791012.db2.gz XEPATVFHBQGEPL-UHFFFAOYSA-N 1 2 360.401 3.041 20 10 FGCDLO C[C@@H]([NH2+][C@@H]1CCCN(C)C1=O)c1cc(Br)cc(Cl)c1O ZINC000756639399 722968032 /nfs/dbraw/zinc/96/80/32/722968032.db2.gz YGSXZRPMDVJVMI-PRHODGIISA-N 1 2 361.667 3.080 20 10 FGCDLO CSc1cccc(-n2c(C)cc(C(=O)C[N@@H+]3CCC[C@@H](O)C3)c2C)c1 ZINC000737817236 722527353 /nfs/dbraw/zinc/52/73/53/722527353.db2.gz YBDOUTBMKWSSQH-QGZVFWFLSA-N 1 2 358.507 3.455 20 10 FGCDLO CSc1cccc(-n2c(C)cc(C(=O)C[N@H+]3CCC[C@@H](O)C3)c2C)c1 ZINC000737817236 722527354 /nfs/dbraw/zinc/52/73/54/722527354.db2.gz YBDOUTBMKWSSQH-QGZVFWFLSA-N 1 2 358.507 3.455 20 10 FGCDLO CCN(C)c1ccc(C[NH+]2CCN(C(=O)c3ccc(C)s3)CC2)cc1 ZINC000741754540 722548820 /nfs/dbraw/zinc/54/88/20/722548820.db2.gz RVPZTWLUSMCAQT-UHFFFAOYSA-N 1 2 357.523 3.471 20 10 FGCDLO C[C@H]([NH2+]CCSCCCO)c1cc(Br)c(F)cc1O ZINC000756543553 722966515 /nfs/dbraw/zinc/96/65/15/722966515.db2.gz QGZJMZCZWBMNHZ-VIFPVBQESA-N 1 2 352.269 3.060 20 10 FGCDLO C[C@@H]([NH2+]CCCNc1ncccn1)c1cc(Br)c(F)cc1O ZINC000756642671 722968097 /nfs/dbraw/zinc/96/80/97/722968097.db2.gz QBUDCLOXYGOYCK-SNVBAGLBSA-N 1 2 369.238 3.237 20 10 FGCDLO C[C@@H]([NH2+]C[C@@H](CO)Cc1ccco1)c1cc(Br)c(F)cc1O ZINC000756659319 722968384 /nfs/dbraw/zinc/96/83/84/722968384.db2.gz DFDLIEHQDRRCGP-MNOVXSKESA-N 1 2 372.234 3.389 20 10 FGCDLO C[C@H](CC[S@](C)=O)[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000756743947 722969461 /nfs/dbraw/zinc/96/94/61/722969461.db2.gz XVXPMVNACLXEPX-MGOSUKFUSA-N 1 2 352.269 3.102 20 10 FGCDLO C[C@@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1cc(Br)c(F)cc1O ZINC000756762461 722969713 /nfs/dbraw/zinc/96/97/13/722969713.db2.gz WYZGVAUDSSRBTF-SCZZXKLOSA-N 1 2 354.223 3.225 20 10 FGCDLO C[C@H](CC[NH2+][C@@H](C)c1cc(Br)c(F)cc1O)[S@](C)=O ZINC000756762648 722969754 /nfs/dbraw/zinc/96/97/54/722969754.db2.gz QBHYYQIESWCEPZ-MGOSUKFUSA-N 1 2 352.269 3.102 20 10 FGCDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3c(F)ccc(O)c3O)n2)C1 ZINC000790070675 723102558 /nfs/dbraw/zinc/10/25/58/723102558.db2.gz YXPPMIKZVOMYFF-SNVBAGLBSA-N 1 2 365.430 3.178 20 10 FGCDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3c(F)ccc(O)c3O)n2)C1 ZINC000790070675 723102562 /nfs/dbraw/zinc/10/25/62/723102562.db2.gz YXPPMIKZVOMYFF-SNVBAGLBSA-N 1 2 365.430 3.178 20 10 FGCDLO COCCn1cc2c(n1)[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)CCC2 ZINC000761227274 723134723 /nfs/dbraw/zinc/13/47/23/723134723.db2.gz YVGHOMTVNSVNID-HNNXBMFYSA-N 1 2 353.825 3.195 20 10 FGCDLO C[C@H]([NH2+]C[C@@H](CO)Cc1ccc(F)c(F)c1)c1cc(F)cc(F)c1O ZINC000790734595 723171267 /nfs/dbraw/zinc/17/12/67/723171267.db2.gz AGXIILUOBFHPLM-JQWIXIFHSA-N 1 2 357.347 3.450 20 10 FGCDLO COc1cc(Br)cc(C[N@@H+]2CCOC[C@@H]2CC(C)C)c1O ZINC000769399490 723684397 /nfs/dbraw/zinc/68/43/97/723684397.db2.gz SFIKFXLPJSHQPL-AWEZNQCLSA-N 1 2 358.276 3.410 20 10 FGCDLO COc1cc(Br)cc(C[N@H+]2CCOC[C@@H]2CC(C)C)c1O ZINC000769399490 723684398 /nfs/dbraw/zinc/68/43/98/723684398.db2.gz SFIKFXLPJSHQPL-AWEZNQCLSA-N 1 2 358.276 3.410 20 10 FGCDLO O=C1NCC[N@@H+](Cc2ccccc2O)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000770505303 723715359 /nfs/dbraw/zinc/71/53/59/723715359.db2.gz OFLKPEDKSOCFHW-INIZCTEOSA-N 1 2 350.340 3.084 20 10 FGCDLO O=C1NCC[N@H+](Cc2ccccc2O)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000770505303 723715360 /nfs/dbraw/zinc/71/53/60/723715360.db2.gz OFLKPEDKSOCFHW-INIZCTEOSA-N 1 2 350.340 3.084 20 10 FGCDLO CCN(CC)c1ccc(C[N@@H+]2CCCC[C@H](S(C)(=O)=O)C2)cc1F ZINC000775191684 723970173 /nfs/dbraw/zinc/97/01/73/723970173.db2.gz IMLSFTRQRSSTAQ-INIZCTEOSA-N 1 2 356.507 3.071 20 10 FGCDLO CCN(CC)c1ccc(C[N@H+]2CCCC[C@H](S(C)(=O)=O)C2)cc1F ZINC000775191684 723970176 /nfs/dbraw/zinc/97/01/76/723970176.db2.gz IMLSFTRQRSSTAQ-INIZCTEOSA-N 1 2 356.507 3.071 20 10 FGCDLO COc1cc(C[C@@H](CO)C[NH2+]Cc2cccc(Cl)c2O)cc(OC)c1 ZINC000776231161 724121623 /nfs/dbraw/zinc/12/16/23/724121623.db2.gz NRDHXDLOUXLAJO-CQSZACIVSA-N 1 2 365.857 3.004 20 10 FGCDLO Oc1c(Br)cccc1C[NH2+]CC[C@H]1COc2ccccc2O1 ZINC000776251377 724123994 /nfs/dbraw/zinc/12/39/94/724123994.db2.gz FIYNVLYFXODWNY-ZDUSSCGKSA-N 1 2 364.239 3.474 20 10 FGCDLO CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1cccc(Cl)c1[O-] ZINC000806137102 725117434 /nfs/dbraw/zinc/11/74/34/725117434.db2.gz KEWHBEPPMWHAOW-SJORKVTESA-N 1 2 367.921 3.029 20 10 FGCDLO CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1cccc(Cl)c1[O-] ZINC000806137102 725117435 /nfs/dbraw/zinc/11/74/35/725117435.db2.gz KEWHBEPPMWHAOW-SJORKVTESA-N 1 2 367.921 3.029 20 10 FGCDLO CC[C@H]([NH2+][C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)c1cccc(Cl)c1O ZINC000806154279 725118446 /nfs/dbraw/zinc/11/84/46/725118446.db2.gz DCGVVOWDFJAGPS-UVBJJODRSA-N 1 2 362.861 3.014 20 10 FGCDLO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000806652372 725139464 /nfs/dbraw/zinc/13/94/64/725139464.db2.gz WBRVBYSSWIYEMH-JTQLQIEISA-N 1 2 371.268 3.339 20 10 FGCDLO COC[C@]1(C[NH2+]Cc2cc(Cl)cc(F)c2O)OCCc2ccccc21 ZINC000811509790 725371167 /nfs/dbraw/zinc/37/11/67/725371167.db2.gz DYJDFYJZRVIQSL-IBGZPJMESA-N 1 2 365.832 3.389 20 10 FGCDLO CC[N@H+](CC(=O)NCc1ccc(F)cc1)Cc1cc(Cl)c(F)cc1O ZINC000816481273 727166455 /nfs/dbraw/zinc/16/64/55/727166455.db2.gz OMIIESRDIIIIDY-UHFFFAOYSA-N 1 2 368.811 3.462 20 10 FGCDLO CC[N@@H+](CC(=O)NCc1ccc(F)cc1)Cc1cc(Cl)c(F)cc1O ZINC000816481273 727166460 /nfs/dbraw/zinc/16/64/60/727166460.db2.gz OMIIESRDIIIIDY-UHFFFAOYSA-N 1 2 368.811 3.462 20 10 FGCDLO CCCN1C[C@H](C[NH2+][C@H](C)c2cc(Br)c(F)cc2O)CC1=O ZINC000817590016 727268965 /nfs/dbraw/zinc/26/89/65/727268965.db2.gz SFNWMSKQWYGUSX-MNOVXSKESA-N 1 2 373.266 3.203 20 10 FGCDLO Cc1cc(N(C)C)ccc1CNC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000820041166 728963043 /nfs/dbraw/zinc/96/30/43/728963043.db2.gz GLZADYZPEJHTSI-OAHLLOKOSA-N 1 2 354.376 3.067 20 10 FGCDLO COc1cccc(C[NH2+][C@H](CCNC(=O)OC(C)(C)C)C(F)F)c1O ZINC000824673135 729354168 /nfs/dbraw/zinc/35/41/68/729354168.db2.gz NKWOEFGVSUIDRA-GFCCVEGCSA-N 1 2 360.401 3.039 20 10 FGCDLO Cc1cc(C(=O)NCCc2cn(C)c[nH+]2)c(C)n1-c1ccc(Cl)cc1 ZINC000837717772 730057167 /nfs/dbraw/zinc/05/71/67/730057167.db2.gz ZENWKKSZQQYSOR-UHFFFAOYSA-N 1 2 356.857 3.454 20 10 FGCDLO COC(=O)[C@H]([NH2+]Cc1cc(Cl)cc(C)c1O)[C@@H]1CCC[C@@H](OC)C1 ZINC000846109362 730929735 /nfs/dbraw/zinc/92/97/35/730929735.db2.gz UDYKUFWXSOBJBJ-DAXOMENPSA-N 1 2 355.862 3.190 20 10 FGCDLO COC(=O)c1cc(C[N@H+](C)Cc2c(O)cccc2Br)oc1C ZINC000862216860 732787918 /nfs/dbraw/zinc/78/79/18/732787918.db2.gz NJBLTMLLJMVELE-UHFFFAOYSA-N 1 2 368.227 3.475 20 10 FGCDLO COC(=O)c1cc(C[N@@H+](C)Cc2c(O)cccc2Br)oc1C ZINC000862216860 732787922 /nfs/dbraw/zinc/78/79/22/732787922.db2.gz NJBLTMLLJMVELE-UHFFFAOYSA-N 1 2 368.227 3.475 20 10 FGCDLO C[N@H+](CCNC(=O)OC(C)(C)C)Cc1c(O)cccc1Br ZINC000862388831 732821770 /nfs/dbraw/zinc/82/17/70/732821770.db2.gz KURRNYSKLVRUIS-UHFFFAOYSA-N 1 2 359.264 3.111 20 10 FGCDLO C[N@@H+](CCNC(=O)OC(C)(C)C)Cc1c(O)cccc1Br ZINC000862388831 732821776 /nfs/dbraw/zinc/82/17/76/732821776.db2.gz KURRNYSKLVRUIS-UHFFFAOYSA-N 1 2 359.264 3.111 20 10 FGCDLO CC[C@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1cccc(Cl)c1O ZINC000872118940 735592055 /nfs/dbraw/zinc/59/20/55/735592055.db2.gz LVFKBLDYZIBATH-IAYQEVDDSA-N 1 2 357.903 3.442 20 10 FGCDLO COc1ccccc1[C@@H](CO)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000883004693 737510841 /nfs/dbraw/zinc/51/08/41/737510841.db2.gz RXYUGODTDIYVOD-CQSZACIVSA-N 1 2 370.218 3.126 20 10 FGCDLO Cc1nn(C)c(C)c1CCC[NH2+]Cc1cc(Br)cc(F)c1O ZINC000883082311 737520290 /nfs/dbraw/zinc/52/02/90/737520290.db2.gz BKYPLJKIUDLIHH-UHFFFAOYSA-N 1 2 370.266 3.367 20 10 FGCDLO C[NH+](C)CC[C@H]([NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cccnc1 ZINC000922632256 758966195 /nfs/dbraw/zinc/96/61/95/758966195.db2.gz PJKSVICETFOEBU-HNNXBMFYSA-N 1 2 364.833 3.131 20 10 FGCDLO C[C@@H]([NH2+]CC1CC2(C1)OCCO2)c1cc(Br)c(F)cc1O ZINC000927000389 759872935 /nfs/dbraw/zinc/87/29/35/759872935.db2.gz HSBUHDSKUUZAOD-SECBINFHSA-N 1 2 360.223 3.098 20 10 FGCDLO CC(=O)c1cc(F)cc(C[NH+]2CCN([C@H](C)c3cccnc3)CC2)c1O ZINC000079436438 494454284 /nfs/dbraw/zinc/45/42/84/494454284.db2.gz GMGQOPBHRVQXSY-CQSZACIVSA-N 1 2 357.429 3.008 20 10 FGCDLO Fc1cc(C[NH2+][C@H](c2ncc[nH]2)c2ccccc2)ccc1N1CCOCC1 ZINC000126071757 494626146 /nfs/dbraw/zinc/62/61/46/494626146.db2.gz QKDZBXKJTUKDGD-FQEVSTJZSA-N 1 2 366.440 3.265 20 10 FGCDLO CN(Cc1ccccc1O)C(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000115842802 494638351 /nfs/dbraw/zinc/63/83/51/494638351.db2.gz JXCGIPHTZJPINU-INIZCTEOSA-N 1 2 363.408 3.115 20 10 FGCDLO COc1ccc(N2CC[NH+]([C@@H](C)c3nc(-c4cccnc4)no3)CC2)cc1 ZINC000075476829 494774308 /nfs/dbraw/zinc/77/43/08/494774308.db2.gz WBPZNYAMBPXXGX-HNNXBMFYSA-N 1 2 365.437 3.023 20 10 FGCDLO COc1cc(Cl)cc(C[NH+]2CCN(C(=O)c3ccsc3)CC2)c1O ZINC000273717109 496883211 /nfs/dbraw/zinc/88/32/11/496883211.db2.gz HIOFLZKHRAEQIS-UHFFFAOYSA-N 1 2 366.870 3.074 20 10 FGCDLO CCN(CC)c1ccc(C[N@@H+]2C[C@H](OC)C[C@@H]2c2nc(C)no2)cc1F ZINC000190153600 497377314 /nfs/dbraw/zinc/37/73/14/497377314.db2.gz FZDZVVZJLXTWOP-CRAIPNDOSA-N 1 2 362.449 3.325 20 10 FGCDLO CCN(CC)c1ccc(C[N@H+]2C[C@H](OC)C[C@@H]2c2nc(C)no2)cc1F ZINC000190153600 497377319 /nfs/dbraw/zinc/37/73/19/497377319.db2.gz FZDZVVZJLXTWOP-CRAIPNDOSA-N 1 2 362.449 3.325 20 10 FGCDLO CCCCNC(=O)C1CC[NH+](Cc2cc(Cl)cc(C(C)=O)c2O)CC1 ZINC000267090525 497483976 /nfs/dbraw/zinc/48/39/76/497483976.db2.gz UKFLMPSRHKRBMW-UHFFFAOYSA-N 1 2 366.889 3.377 20 10 FGCDLO CN(C)c1ccc(C[N@@H+]2CCC[C@H]2c2nncn2C)c(C(F)(F)F)c1 ZINC000280170552 497670823 /nfs/dbraw/zinc/67/08/23/497670823.db2.gz GTYVEWCFOFCGJM-HNNXBMFYSA-N 1 2 353.392 3.237 20 10 FGCDLO CN(C)c1ccc(C[N@H+]2CCC[C@H]2c2nncn2C)c(C(F)(F)F)c1 ZINC000280170552 497670826 /nfs/dbraw/zinc/67/08/26/497670826.db2.gz GTYVEWCFOFCGJM-HNNXBMFYSA-N 1 2 353.392 3.237 20 10 FGCDLO C[C@@H]([NH2+][C@@H](c1nccn1C)C1CCOCC1)c1ccc(F)c(F)c1O ZINC000284740810 497885182 /nfs/dbraw/zinc/88/51/82/497885182.db2.gz FCNSVVBPTBMYKY-BDJLRTHQSA-N 1 2 351.397 3.222 20 10 FGCDLO C[C@@H]([NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O)c1ccc(F)c(F)c1O ZINC000364499285 497988952 /nfs/dbraw/zinc/98/89/52/497988952.db2.gz BZALQKHXWSKLCK-BZNIZROVSA-N 1 2 364.367 3.261 20 10 FGCDLO CCOc1cccc(C[N@@H+]2C[C@@H](OC)C[C@@H]2c2nc(C3CC3)no2)c1O ZINC000364708977 498104984 /nfs/dbraw/zinc/10/49/84/498104984.db2.gz MTDPKZMVEYXLHT-LSDHHAIUSA-N 1 2 359.426 3.013 20 10 FGCDLO CCOc1cccc(C[N@H+]2C[C@@H](OC)C[C@@H]2c2nc(C3CC3)no2)c1O ZINC000364708977 498104994 /nfs/dbraw/zinc/10/49/94/498104994.db2.gz MTDPKZMVEYXLHT-LSDHHAIUSA-N 1 2 359.426 3.013 20 10 FGCDLO Cc1noc([C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)C2CCOCC2)n1 ZINC000365137896 498317810 /nfs/dbraw/zinc/31/78/10/498317810.db2.gz NZTQNFGLVDTZPC-OAHLLOKOSA-N 1 2 355.797 3.134 20 10 FGCDLO CS(=O)(=O)C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1ccccc1 ZINC000293751951 498478145 /nfs/dbraw/zinc/47/81/45/498478145.db2.gz YESDTIBQBHDJBF-HNNXBMFYSA-N 1 2 357.834 3.060 20 10 FGCDLO CCCNC(=O)CN1CCC([NH2+][C@H](CC)c2cccc(Cl)c2O)CC1 ZINC000287870308 498888228 /nfs/dbraw/zinc/88/82/28/498888228.db2.gz XWJRIMWUBADYPO-QGZVFWFLSA-N 1 2 367.921 3.077 20 10 FGCDLO CCCc1nnc([C@@H]2C[N@H+](Cc3c(O)ccc4ccccc43)CCO2)[nH]1 ZINC000373173899 499455456 /nfs/dbraw/zinc/45/54/56/499455456.db2.gz VZFDHCWFAUJZIC-SFHVURJKSA-N 1 2 352.438 3.190 20 10 FGCDLO CCCc1nnc([C@@H]2C[N@@H+](Cc3c(O)ccc4ccccc43)CCO2)[nH]1 ZINC000373173899 499455457 /nfs/dbraw/zinc/45/54/57/499455457.db2.gz VZFDHCWFAUJZIC-SFHVURJKSA-N 1 2 352.438 3.190 20 10 FGCDLO CCCc1n[nH]c([C@@H]2C[N@H+](Cc3c(O)ccc4ccccc43)CCO2)n1 ZINC000373173899 499455458 /nfs/dbraw/zinc/45/54/58/499455458.db2.gz VZFDHCWFAUJZIC-SFHVURJKSA-N 1 2 352.438 3.190 20 10 FGCDLO CCCc1n[nH]c([C@@H]2C[N@@H+](Cc3c(O)ccc4ccccc43)CCO2)n1 ZINC000373173899 499455459 /nfs/dbraw/zinc/45/54/59/499455459.db2.gz VZFDHCWFAUJZIC-SFHVURJKSA-N 1 2 352.438 3.190 20 10 FGCDLO CCCc1nc([C@@H]2C[N@H+](Cc3c(O)ccc4ccccc43)CCO2)n[nH]1 ZINC000373173899 499455460 /nfs/dbraw/zinc/45/54/60/499455460.db2.gz VZFDHCWFAUJZIC-SFHVURJKSA-N 1 2 352.438 3.190 20 10 FGCDLO CCCc1nc([C@@H]2C[N@@H+](Cc3c(O)ccc4ccccc43)CCO2)n[nH]1 ZINC000373173899 499455461 /nfs/dbraw/zinc/45/54/61/499455461.db2.gz VZFDHCWFAUJZIC-SFHVURJKSA-N 1 2 352.438 3.190 20 10 FGCDLO OC[C@]1([NH2+]Cc2cc(Cl)cc(Cl)c2O)COc2ccccc2C1 ZINC000527770384 503934606 /nfs/dbraw/zinc/93/46/06/503934606.db2.gz UZHBEYNFDBLJFP-KRWDZBQOSA-N 1 2 354.233 3.155 20 10 FGCDLO COc1ccc(OC)c(C[N@H+](CCO)Cc2c(O)cccc2Cl)c1 ZINC000125107535 700730371 /nfs/dbraw/zinc/73/03/71/700730371.db2.gz GPPYBHXYYQGXBU-UHFFFAOYSA-N 1 2 351.830 3.057 20 10 FGCDLO COc1ccc(OC)c(C[N@@H+](CCO)Cc2c(O)cccc2Cl)c1 ZINC000125107535 700730372 /nfs/dbraw/zinc/73/03/72/700730372.db2.gz GPPYBHXYYQGXBU-UHFFFAOYSA-N 1 2 351.830 3.057 20 10 FGCDLO COCCOCCCC[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000756516246 722966025 /nfs/dbraw/zinc/96/60/25/722966025.db2.gz ITCTZFFUUDXCRJ-LLVKDONJSA-N 1 2 364.255 3.388 20 10 FGCDLO CCOC(=O)N(C)C1CC[NH+](Cc2cc(Cl)cc(C(C)=O)c2O)CC1 ZINC000750044439 722752828 /nfs/dbraw/zinc/75/28/28/722752828.db2.gz UUBLROJQOBMTTI-UHFFFAOYSA-N 1 2 368.861 3.301 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(O[C@H]3CCOC3)CC2)c1O ZINC000750058119 722753355 /nfs/dbraw/zinc/75/33/55/722753355.db2.gz QXMQHCQMLHALAO-INIZCTEOSA-N 1 2 353.846 3.018 20 10 FGCDLO C[C@@H]1[C@H](C)[S@](=O)CC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000753545804 722903655 /nfs/dbraw/zinc/90/36/55/722903655.db2.gz HPBVKQSPVGWMKO-ITNZAGEZSA-N 1 2 359.491 3.313 20 10 FGCDLO C[C@@H]1[C@H](C)[S@](=O)CC[N@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000753545804 722903656 /nfs/dbraw/zinc/90/36/56/722903656.db2.gz HPBVKQSPVGWMKO-ITNZAGEZSA-N 1 2 359.491 3.313 20 10 FGCDLO C[C@H](Cc1cnccn1)[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000756495306 722965599 /nfs/dbraw/zinc/96/55/99/722965599.db2.gz PGPZBLJHUQMOST-NXEZZACHSA-N 1 2 354.223 3.366 20 10 FGCDLO C[C@H](Cc1cnccn1)[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000756495309 722965614 /nfs/dbraw/zinc/96/56/14/722965614.db2.gz PGPZBLJHUQMOST-ZJUUUORDSA-N 1 2 354.223 3.366 20 10 FGCDLO C[C@H]([NH2+]C[C@H](CO)Cc1ccco1)c1cc(Br)cc(F)c1O ZINC000756659343 722968349 /nfs/dbraw/zinc/96/83/49/722968349.db2.gz DKGYZWDFZKUZCP-WDEREUQCSA-N 1 2 372.234 3.389 20 10 FGCDLO C[C@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1cc(Br)cc(F)c1O ZINC000756785090 722970085 /nfs/dbraw/zinc/97/00/85/722970085.db2.gz RXDDMNIZQAQGGG-UPONEAKYSA-N 1 2 360.145 3.258 20 10 FGCDLO NC(=O)[C@H](C[NH2+]Cc1cc(Cl)cc(F)c1O)Cc1ccccc1Cl ZINC000757907247 722981101 /nfs/dbraw/zinc/98/11/01/722981101.db2.gz QEPXLKBQVGJZQW-LBPRGKRZSA-N 1 2 371.239 3.272 20 10 FGCDLO Cc1ccc(CN2CC[C@H]([NH2+]Cc3cc(Cl)cc(F)c3O)C2=O)cc1 ZINC000792195917 723320492 /nfs/dbraw/zinc/32/04/92/723320492.db2.gz HEANSOYKWPCZTO-KRWDZBQOSA-N 1 2 362.832 3.384 20 10 FGCDLO CC(=O)N1CCC[C@H](C[NH2+][C@@H](C)c2cc(Br)cc(F)c2O)C1 ZINC000794837762 723548397 /nfs/dbraw/zinc/54/83/97/723548397.db2.gz ZIERBLZBZMPALS-CMPLNLGQSA-N 1 2 373.266 3.203 20 10 FGCDLO O=C([C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)cc(F)c2O)C1)N1CCCCC1 ZINC000798087534 723903534 /nfs/dbraw/zinc/90/35/34/723903534.db2.gz JZRVAHLGOIYOMH-DOMZBBRYSA-N 1 2 354.853 3.456 20 10 FGCDLO COc1c(O)c(C[N@@H+]2CCOC3(C2)CCCCCC3)ccc1[N+](=O)[O-] ZINC000774908004 723941379 /nfs/dbraw/zinc/94/13/79/723941379.db2.gz DUHBSZYOEGRPBG-UHFFFAOYSA-N 1 2 350.415 3.234 20 10 FGCDLO COc1c(O)c(C[N@H+]2CCOC3(C2)CCCCCC3)ccc1[N+](=O)[O-] ZINC000774908004 723941381 /nfs/dbraw/zinc/94/13/81/723941381.db2.gz DUHBSZYOEGRPBG-UHFFFAOYSA-N 1 2 350.415 3.234 20 10 FGCDLO CCCC[N@@H+]1CCCC[C@H]1CNCc1ccc([N+](=O)[O-])c(OC)c1O ZINC000775012360 723951492 /nfs/dbraw/zinc/95/14/92/723951492.db2.gz HDBIHVYQXPQVJB-HNNXBMFYSA-N 1 2 351.447 3.053 20 10 FGCDLO CCCC[N@H+]1CCCC[C@H]1CNCc1ccc([N+](=O)[O-])c(OC)c1O ZINC000775012360 723951495 /nfs/dbraw/zinc/95/14/95/723951495.db2.gz HDBIHVYQXPQVJB-HNNXBMFYSA-N 1 2 351.447 3.053 20 10 FGCDLO COc1cc(O)c(C[N@@H+]2CCCC[C@H]2C(=O)OC(C)(C)C)cc1OC ZINC000775727227 724031732 /nfs/dbraw/zinc/03/17/32/724031732.db2.gz MZYCIQMSFJXVAC-AWEZNQCLSA-N 1 2 351.443 3.106 20 10 FGCDLO COc1cc(O)c(C[N@H+]2CCCC[C@H]2C(=O)OC(C)(C)C)cc1OC ZINC000775727227 724031740 /nfs/dbraw/zinc/03/17/40/724031740.db2.gz MZYCIQMSFJXVAC-AWEZNQCLSA-N 1 2 351.443 3.106 20 10 FGCDLO O=C1C[C@H]([NH2+]Cc2cccc(Cl)c2O)CN1[C@H]1C[C@H]1c1ccccc1 ZINC000776218119 724120355 /nfs/dbraw/zinc/12/03/55/724120355.db2.gz YOUMIUOSSJYRCI-BQFCYCMXSA-N 1 2 356.853 3.292 20 10 FGCDLO CC[C@H]([NH2+][C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)c1cccc(Cl)c1O ZINC000806154277 725118448 /nfs/dbraw/zinc/11/84/48/725118448.db2.gz DCGVVOWDFJAGPS-KNXALSJPSA-N 1 2 362.861 3.014 20 10 FGCDLO C[C@H]([NH2+][C@@H]1CC(=O)N(c2ccccc2F)C1)c1cc(F)cc(F)c1O ZINC000812741159 726807188 /nfs/dbraw/zinc/80/71/88/726807188.db2.gz RQURDTYFCROVAP-CMPLNLGQSA-N 1 2 350.340 3.266 20 10 FGCDLO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2Cc2cc(Cl)c(F)cc2O)C[C@H](C)O1 ZINC000816496573 727168019 /nfs/dbraw/zinc/16/80/19/727168019.db2.gz OTSMUMRHCCZCOX-VNHYZAJKSA-N 1 2 356.869 3.258 20 10 FGCDLO C[C@@H]1CN(C[C@H]2CCC[N@H+]2Cc2cc(Cl)c(F)cc2O)C[C@H](C)O1 ZINC000816496573 727168021 /nfs/dbraw/zinc/16/80/21/727168021.db2.gz OTSMUMRHCCZCOX-VNHYZAJKSA-N 1 2 356.869 3.258 20 10 FGCDLO O=C(NC1CC1)OC[C@H]1CCCC[N@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816615062 727180737 /nfs/dbraw/zinc/18/07/37/727180737.db2.gz MCVXPCTYZBVDOH-CYBMUJFWSA-N 1 2 356.825 3.428 20 10 FGCDLO O=C(NC1CC1)OC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816615062 727180739 /nfs/dbraw/zinc/18/07/39/727180739.db2.gz MCVXPCTYZBVDOH-CYBMUJFWSA-N 1 2 356.825 3.428 20 10 FGCDLO Cc1cc(N(C)C)ccc1CNC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000820041165 728963101 /nfs/dbraw/zinc/96/31/01/728963101.db2.gz GLZADYZPEJHTSI-HNNXBMFYSA-N 1 2 354.376 3.067 20 10 FGCDLO C[N@H+](CCCN1C(=O)c2ccccc2C1=O)Cc1cccc(Cl)c1O ZINC000822525456 729190443 /nfs/dbraw/zinc/19/04/43/729190443.db2.gz HFCQOACVXGKDTM-UHFFFAOYSA-N 1 2 358.825 3.164 20 10 FGCDLO C[N@@H+](CCCN1C(=O)c2ccccc2C1=O)Cc1cccc(Cl)c1O ZINC000822525456 729190444 /nfs/dbraw/zinc/19/04/44/729190444.db2.gz HFCQOACVXGKDTM-UHFFFAOYSA-N 1 2 358.825 3.164 20 10 FGCDLO CCOC(=O)C[N@@H+](Cc1ccccc1O)C[C@H](O)c1ccccc1Cl ZINC000823576771 729289533 /nfs/dbraw/zinc/28/95/33/729289533.db2.gz YIDXYCULUOXRJP-SFHVURJKSA-N 1 2 363.841 3.144 20 10 FGCDLO CCOC(=O)C[N@H+](Cc1ccccc1O)C[C@H](O)c1ccccc1Cl ZINC000823576771 729289535 /nfs/dbraw/zinc/28/95/35/729289535.db2.gz YIDXYCULUOXRJP-SFHVURJKSA-N 1 2 363.841 3.144 20 10 FGCDLO Oc1cc(Br)ccc1C[NH+]1CCN(c2ccc(F)cn2)CC1 ZINC000825922675 729399737 /nfs/dbraw/zinc/39/97/37/729399737.db2.gz UYLKUZSRYDQLFY-UHFFFAOYSA-N 1 2 366.234 3.011 20 10 FGCDLO C[C@H](Cc1cnn(C)c1)[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000834896292 729844806 /nfs/dbraw/zinc/84/48/06/729844806.db2.gz JSXSYFGSWPQYDB-ZJUUUORDSA-N 1 2 356.239 3.309 20 10 FGCDLO C[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)C(=O)NCCc1ccccc1 ZINC000835072107 729856413 /nfs/dbraw/zinc/85/64/13/729856413.db2.gz AMFAQWMKLSSUFB-GFCCVEGCSA-N 1 2 350.821 3.022 20 10 FGCDLO Cc1cc(Br)c(O)c(C[NH2+]Cc2nnc(C3CC3)s2)c1 ZINC000840973806 730199608 /nfs/dbraw/zinc/19/96/08/730199608.db2.gz VKOPIRHWVBZMRO-UHFFFAOYSA-N 1 2 354.273 3.482 20 10 FGCDLO CNC(=O)[C@@H](C[NH2+]Cc1cccc(Cl)c1O)Cc1ccc(F)cc1C ZINC000843414439 730617402 /nfs/dbraw/zinc/61/74/02/730617402.db2.gz DRXKTKIOVILGQK-OAHLLOKOSA-N 1 2 364.848 3.188 20 10 FGCDLO COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCc3cn[nH]c3C2)c1O ZINC000848533158 731176873 /nfs/dbraw/zinc/17/68/73/731176873.db2.gz OKKYYOAZYBEKNI-CABZTGNLSA-N 1 2 366.259 3.095 20 10 FGCDLO Cc1cnc(OC2CC[NH+](Cc3c(O)ccc(Cl)c3F)CC2)nc1 ZINC000848925253 731221359 /nfs/dbraw/zinc/22/13/59/731221359.db2.gz QXPXJGDIKFQQCI-UHFFFAOYSA-N 1 2 351.809 3.327 20 10 FGCDLO C[C@H]([NH2+]Cc1nnc(C(F)(F)F)s1)c1ccc(N2CCOCC2)cc1 ZINC000851896258 731516023 /nfs/dbraw/zinc/51/60/23/731516023.db2.gz IXOHOLDGYAFWMC-NSHDSACASA-N 1 2 372.416 3.244 20 10 FGCDLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2c(O)cccc2Br)s1 ZINC000858182775 732189882 /nfs/dbraw/zinc/18/98/82/732189882.db2.gz HNPKZSCVZLQXFP-MRVPVSSYSA-N 1 2 371.256 3.249 20 10 FGCDLO CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1cc(Cl)cc(Cl)c1[O-] ZINC000858469305 732217780 /nfs/dbraw/zinc/21/77/80/732217780.db2.gz SYJJXYMOWGOJHK-CABCVRRESA-N 1 2 374.312 3.080 20 10 FGCDLO CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1cc(Cl)cc(Cl)c1[O-] ZINC000858469305 732217784 /nfs/dbraw/zinc/21/77/84/732217784.db2.gz SYJJXYMOWGOJHK-CABCVRRESA-N 1 2 374.312 3.080 20 10 FGCDLO CC[C@H]([NH2+]C(c1ccnn1C)c1ccnn1C)c1cccc(Cl)c1O ZINC000858585706 732228903 /nfs/dbraw/zinc/22/89/03/732228903.db2.gz NABKZRCGUVXAHY-AWEZNQCLSA-N 1 2 359.861 3.343 20 10 FGCDLO Oc1cccc(Br)c1C[NH+]1CCN(c2ncccc2F)CC1 ZINC000862249507 732798772 /nfs/dbraw/zinc/79/87/72/732798772.db2.gz RRDIIEYCNPDPPT-UHFFFAOYSA-N 1 2 366.234 3.011 20 10 FGCDLO Oc1ccc2c(c1)C[N@@H+](Cc1c(O)cccc1Br)CCO2 ZINC000862418811 732830149 /nfs/dbraw/zinc/83/01/49/732830149.db2.gz LTYMVXCMZMDCPD-UHFFFAOYSA-N 1 2 350.212 3.255 20 10 FGCDLO Oc1ccc2c(c1)C[N@H+](Cc1c(O)cccc1Br)CCO2 ZINC000862418811 732830153 /nfs/dbraw/zinc/83/01/53/732830153.db2.gz LTYMVXCMZMDCPD-UHFFFAOYSA-N 1 2 350.212 3.255 20 10 FGCDLO O=C(CC1CCCC1)NC1CC[NH+](Cc2ccc(F)c(F)c2O)CC1 ZINC000876722834 736136445 /nfs/dbraw/zinc/13/64/45/736136445.db2.gz GFXJHJIIDAUJCN-UHFFFAOYSA-N 1 2 352.425 3.331 20 10 FGCDLO Oc1c(F)cc(Br)cc1C[NH2+][C@H]1CCN(c2ccccn2)C1 ZINC000883074543 737518723 /nfs/dbraw/zinc/51/87/23/737518723.db2.gz BQAOXEUKWHYWNA-ZDUSSCGKSA-N 1 2 366.234 3.057 20 10 FGCDLO CC[C@@H]([NH2+]Cc1nc(CSC)n[nH]1)c1cc(Br)ccc1O ZINC000886757341 739292206 /nfs/dbraw/zinc/29/22/06/739292206.db2.gz DPKBWTISFDRGET-LLVKDONJSA-N 1 2 371.304 3.377 20 10 FGCDLO Cc1cc(=O)[nH]c(C(C)(C)[NH2+]Cc2cc(Br)cc(F)c2O)n1 ZINC000895389497 742406014 /nfs/dbraw/zinc/40/60/14/742406014.db2.gz OUPJUXYLWVDVFC-UHFFFAOYSA-N 1 2 370.222 3.123 20 10 FGCDLO OC[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000895836685 742459734 /nfs/dbraw/zinc/45/97/34/742459734.db2.gz DUDGKZQEIKTMFU-GFCCVEGCSA-N 1 2 372.156 3.041 20 10 FGCDLO OC[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000895836685 742459736 /nfs/dbraw/zinc/45/97/36/742459736.db2.gz DUDGKZQEIKTMFU-GFCCVEGCSA-N 1 2 372.156 3.041 20 10 FGCDLO CC[N@H+](Cc1noc(C2CC2)n1)Cc1cc(Br)ccc1O ZINC000076118504 493826075 /nfs/dbraw/zinc/82/60/75/493826075.db2.gz FDDDSVPLJZHKRN-UHFFFAOYSA-N 1 2 352.232 3.437 20 10 FGCDLO CC[N@@H+](Cc1noc(C2CC2)n1)Cc1cc(Br)ccc1O ZINC000076118504 493826078 /nfs/dbraw/zinc/82/60/78/493826078.db2.gz FDDDSVPLJZHKRN-UHFFFAOYSA-N 1 2 352.232 3.437 20 10 FGCDLO COc1ccc(N2CCC([N@H+](C)Cc3noc(C(C)(C)C)n3)CC2)cc1 ZINC000072801485 494253406 /nfs/dbraw/zinc/25/34/06/494253406.db2.gz LWVNMGZWDJKNHB-UHFFFAOYSA-N 1 2 358.486 3.477 20 10 FGCDLO COc1ccc(N2CCC([N@@H+](C)Cc3noc(C(C)(C)C)n3)CC2)cc1 ZINC000072801485 494253409 /nfs/dbraw/zinc/25/34/09/494253409.db2.gz LWVNMGZWDJKNHB-UHFFFAOYSA-N 1 2 358.486 3.477 20 10 FGCDLO C[C@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1cc(Br)cc(F)c1O ZINC000186115345 495860658 /nfs/dbraw/zinc/86/06/58/495860658.db2.gz NWKACFJPRJFUTK-KWQFWETISA-N 1 2 354.223 3.225 20 10 FGCDLO CC(=O)c1cc(F)cc(C[N@H+](C)CC(=O)Nc2c(C)cccc2C)c1O ZINC000177246288 495991887 /nfs/dbraw/zinc/99/18/87/495991887.db2.gz IYQYHBNXSCEXGZ-UHFFFAOYSA-N 1 2 358.413 3.421 20 10 FGCDLO CC(=O)c1cc(F)cc(C[N@@H+](C)CC(=O)Nc2c(C)cccc2C)c1O ZINC000177246288 495991894 /nfs/dbraw/zinc/99/18/94/495991894.db2.gz IYQYHBNXSCEXGZ-UHFFFAOYSA-N 1 2 358.413 3.421 20 10 FGCDLO O=C(NCc1ccc(N2CC=CC2)cc1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000155717467 496044942 /nfs/dbraw/zinc/04/49/42/496044942.db2.gz DICLPURSPANZGU-SFHVURJKSA-N 1 2 351.454 3.223 20 10 FGCDLO CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000164860047 496635783 /nfs/dbraw/zinc/63/57/83/496635783.db2.gz ZAMJXQSWPUFNPK-GOSISDBHSA-N 1 2 368.481 3.378 20 10 FGCDLO CCCN(Cc1ccccc1O)C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000264486931 496910994 /nfs/dbraw/zinc/91/09/94/496910994.db2.gz BGVNXRHQGJMPLI-UHFFFAOYSA-N 1 2 352.438 3.470 20 10 FGCDLO OC1CCN(c2ccc(CNc3cc(NCC4CC4)[nH+]cn3)cc2F)CC1 ZINC000270300264 497097194 /nfs/dbraw/zinc/09/71/94/497097194.db2.gz OXPQOWMTCOBXQN-UHFFFAOYSA-N 1 2 371.460 3.011 20 10 FGCDLO OC1CCN(c2ccc(CNc3cc(NCC4CC4)nc[nH+]3)cc2F)CC1 ZINC000270300264 497097199 /nfs/dbraw/zinc/09/71/99/497097199.db2.gz OXPQOWMTCOBXQN-UHFFFAOYSA-N 1 2 371.460 3.011 20 10 FGCDLO C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cnn(C)c1)c1ccc(F)c(F)c1[O-] ZINC000364790880 498145195 /nfs/dbraw/zinc/14/51/95/498145195.db2.gz NVGVMNVCCRUOAT-LXIYXOSZSA-N 1 2 364.440 3.138 20 10 FGCDLO C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1)c1ccc(F)c(F)c1[O-] ZINC000364790880 498145200 /nfs/dbraw/zinc/14/52/00/498145200.db2.gz NVGVMNVCCRUOAT-LXIYXOSZSA-N 1 2 364.440 3.138 20 10 FGCDLO c1cc(N2CCSCC2)ccc1CNc1cc(N2CCCC2)nc[nH+]1 ZINC000302807222 498583350 /nfs/dbraw/zinc/58/33/50/498583350.db2.gz XJSYHUFXSWUNBR-UHFFFAOYSA-N 1 2 355.511 3.242 20 10 FGCDLO c1cc(N2CCSCC2)ccc1CNc1cc(N2CCCC2)[nH+]cn1 ZINC000302807222 498583355 /nfs/dbraw/zinc/58/33/55/498583355.db2.gz XJSYHUFXSWUNBR-UHFFFAOYSA-N 1 2 355.511 3.242 20 10 FGCDLO COCCOC1(C[NH2+]Cc2cc(Cl)cc(Cl)c2O)CCOCC1 ZINC000294837314 498821100 /nfs/dbraw/zinc/82/11/00/498821100.db2.gz QQFRKXVIFKGUGW-UHFFFAOYSA-N 1 2 364.269 3.001 20 10 FGCDLO CNc1snc(C)c1C(=O)N(C)C1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000364041811 499096775 /nfs/dbraw/zinc/09/67/75/499096775.db2.gz NHHRWWAXKMYONU-UHFFFAOYSA-N 1 2 374.510 3.243 20 10 FGCDLO CC[C@@H]([NH2+][C@H]1CCN(c2ccccc2C(N)=O)C1)c1cccc(Cl)c1O ZINC000367896792 499242877 /nfs/dbraw/zinc/24/28/77/499242877.db2.gz PDQOCXWQBDAFBG-SUMWQHHRSA-N 1 2 373.884 3.464 20 10 FGCDLO C[C@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370711143 499246848 /nfs/dbraw/zinc/24/68/48/499246848.db2.gz ODZNJYSNHBSSAA-GUYCJALGSA-N 1 2 372.340 3.157 20 10 FGCDLO C[C@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370711143 499246849 /nfs/dbraw/zinc/24/68/49/499246849.db2.gz ODZNJYSNHBSSAA-GUYCJALGSA-N 1 2 372.340 3.157 20 10 FGCDLO COc1cc(O)c(C[N@@H+]2CC(=O)Nc3cccc4c3[C@H]2CCC4)cc1OC ZINC000368160345 499270084 /nfs/dbraw/zinc/27/00/84/499270084.db2.gz GOAIFYNMPFEFAB-MRXNPFEDSA-N 1 2 368.433 3.241 20 10 FGCDLO COc1cc(O)c(C[N@H+]2CC(=O)Nc3cccc4c3[C@H]2CCC4)cc1OC ZINC000368160345 499270086 /nfs/dbraw/zinc/27/00/86/499270086.db2.gz GOAIFYNMPFEFAB-MRXNPFEDSA-N 1 2 368.433 3.241 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)c3cc(Cl)ccn3)CC2)cc1 ZINC000368851949 499339704 /nfs/dbraw/zinc/33/97/04/499339704.db2.gz TZIFMWPQZQTFCC-UHFFFAOYSA-N 1 2 359.857 3.485 20 10 FGCDLO O=[N+]([O-])c1ccc([O-])c(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c1 ZINC000373491719 499473090 /nfs/dbraw/zinc/47/30/90/499473090.db2.gz XRIIXOSWQBGARX-UHFFFAOYSA-N 1 2 373.375 3.195 20 10 FGCDLO CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000538387899 504230269 /nfs/dbraw/zinc/23/02/69/504230269.db2.gz RBXJHMNKDREGJQ-UHFFFAOYSA-N 1 2 362.433 3.037 20 10 FGCDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCOc3cc(N(C)C)ccc32)c1 ZINC000564019421 505303288 /nfs/dbraw/zinc/30/32/88/505303288.db2.gz PJDFSLHMVZHMDX-UHFFFAOYSA-N 1 2 362.433 3.286 20 10 FGCDLO CCN(CC)c1ccc(C[N@H+]([C@@H](C)CS(C)(=O)=O)C2CC2)cc1F ZINC000093392234 700451315 /nfs/dbraw/zinc/45/13/15/700451315.db2.gz ZQACTNAFLCURMY-AWEZNQCLSA-N 1 2 356.507 3.069 20 10 FGCDLO CCN(CC)c1ccc(C[N@@H+]([C@@H](C)CS(C)(=O)=O)C2CC2)cc1F ZINC000093392234 700451316 /nfs/dbraw/zinc/45/13/16/700451316.db2.gz ZQACTNAFLCURMY-AWEZNQCLSA-N 1 2 356.507 3.069 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)c1O ZINC000177018049 705600669 /nfs/dbraw/zinc/60/06/69/705600669.db2.gz XPGVQQLDVJDOGT-CVEARBPZSA-N 1 2 373.902 3.036 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@H+](C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)c1O ZINC000177018049 705600672 /nfs/dbraw/zinc/60/06/72/705600672.db2.gz XPGVQQLDVJDOGT-CVEARBPZSA-N 1 2 373.902 3.036 20 10 FGCDLO C[C@H]([NH2+][C@@H]1CCCN(C)C1=O)c1cc(Br)cc(Cl)c1O ZINC000756639400 722968049 /nfs/dbraw/zinc/96/80/49/722968049.db2.gz YGSXZRPMDVJVMI-QPUJVOFHSA-N 1 2 361.667 3.080 20 10 FGCDLO Cc1ccc(C(=O)N2CC[NH+](Cc3cc(Cl)ccc3O)CC2)cc1F ZINC000768253225 723652000 /nfs/dbraw/zinc/65/20/00/723652000.db2.gz WIYXGXTXEAQEBC-UHFFFAOYSA-N 1 2 362.832 3.451 20 10 FGCDLO CN(C)c1ccc(C[N@H+](Cc2nc(CC(F)(F)F)no2)C2CC2)cc1 ZINC000743841665 722571659 /nfs/dbraw/zinc/57/16/59/722571659.db2.gz QNHKVVLEGHRENI-UHFFFAOYSA-N 1 2 354.376 3.405 20 10 FGCDLO CN(C)c1ccc(C[N@@H+](Cc2nc(CC(F)(F)F)no2)C2CC2)cc1 ZINC000743841665 722571660 /nfs/dbraw/zinc/57/16/60/722571660.db2.gz QNHKVVLEGHRENI-UHFFFAOYSA-N 1 2 354.376 3.405 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)c1O ZINC000750045701 722752880 /nfs/dbraw/zinc/75/28/80/722752880.db2.gz VMHHUIRRJBGRSN-JSGCOSHPSA-N 1 2 351.752 3.136 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)c1O ZINC000750045701 722752881 /nfs/dbraw/zinc/75/28/81/722752881.db2.gz VMHHUIRRJBGRSN-JSGCOSHPSA-N 1 2 351.752 3.136 20 10 FGCDLO CO[C@@H](C)c1nc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cs1 ZINC000752267064 722851842 /nfs/dbraw/zinc/85/18/42/722851842.db2.gz VUKQIRFRTLHUAM-ZDUSSCGKSA-N 1 2 365.474 3.116 20 10 FGCDLO C[C@@H]([NH2+][C@H](C(N)=O)c1ccccc1)c1cc(Br)c(F)cc1O ZINC000756382059 722963682 /nfs/dbraw/zinc/96/36/82/722963682.db2.gz QPMNGMATSQIPRN-PSLIRLAXSA-N 1 2 367.218 3.171 20 10 FGCDLO C[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)c1cc(Br)cc(Cl)c1O ZINC000756449824 722964865 /nfs/dbraw/zinc/96/48/65/722964865.db2.gz OELWCOFZAOWGHW-MLUIRONXSA-N 1 2 362.573 3.382 20 10 FGCDLO C[C@@H]([NH2+][C@@H](C)Cc1cnccn1)c1cc(Br)c(F)cc1O ZINC000756495308 722965591 /nfs/dbraw/zinc/96/55/91/722965591.db2.gz PGPZBLJHUQMOST-VHSXEESVSA-N 1 2 354.223 3.366 20 10 FGCDLO C[C@@H]([NH2+]CCCN1CCCCC1=O)c1cc(Br)c(F)cc1O ZINC000756555874 722966814 /nfs/dbraw/zinc/96/68/14/722966814.db2.gz MOAAQGZZXAYCQA-LLVKDONJSA-N 1 2 373.266 3.347 20 10 FGCDLO COc1cc(NCC[NH2+][C@H](C)c2cc(F)cc(F)c2O)cc(OC)c1 ZINC000756771034 722969867 /nfs/dbraw/zinc/96/98/67/722969867.db2.gz YVIPNZYNWMXAMZ-LLVKDONJSA-N 1 2 352.381 3.450 20 10 FGCDLO C[C@H]([NH2+]CC1(C)OCCO1)c1cc(Br)cc(Cl)c1O ZINC000756780882 722969958 /nfs/dbraw/zinc/96/99/58/722969958.db2.gz XQPCJHNYSDMHCG-QMMMGPOBSA-N 1 2 350.640 3.222 20 10 FGCDLO C[C@H]([NH2+][C@@H]1CCO[C@]2(CCOC2)C1)c1cc(Br)c(F)cc1O ZINC000756782918 722969984 /nfs/dbraw/zinc/96/99/84/722969984.db2.gz VWZVOMXFMRPVSK-LYOVBCGYSA-N 1 2 374.250 3.283 20 10 FGCDLO COc1cc(Cl)cc(C[NH+]2CCN(C3=NCC(C)(C)S3)CC2)c1O ZINC000761192267 723131579 /nfs/dbraw/zinc/13/15/79/723131579.db2.gz IXSGBQMYMGRQOU-UHFFFAOYSA-N 1 2 369.918 3.053 20 10 FGCDLO COc1cc(Br)cc(C[N@@H+]2CCO[C@@H](C(C)(C)C)C2)c1O ZINC000790930389 723194718 /nfs/dbraw/zinc/19/47/18/723194718.db2.gz BDDOKWRXKRLTTA-CQSZACIVSA-N 1 2 358.276 3.410 20 10 FGCDLO COc1cc(Br)cc(C[N@H+]2CCO[C@@H](C(C)(C)C)C2)c1O ZINC000790930389 723194720 /nfs/dbraw/zinc/19/47/20/723194720.db2.gz BDDOKWRXKRLTTA-CQSZACIVSA-N 1 2 358.276 3.410 20 10 FGCDLO C[N@@H+](Cc1cc(Br)ccc1O)Cc1nc2ccccc2c(=O)[nH]1 ZINC000768161696 723648858 /nfs/dbraw/zinc/64/88/58/723648858.db2.gz WYASFANPUIDRHA-UHFFFAOYSA-N 1 2 374.238 3.436 20 10 FGCDLO C[N@H+](Cc1cc(Br)ccc1O)Cc1nc2ccccc2c(=O)[nH]1 ZINC000768161696 723648861 /nfs/dbraw/zinc/64/88/61/723648861.db2.gz WYASFANPUIDRHA-UHFFFAOYSA-N 1 2 374.238 3.436 20 10 FGCDLO CC[C@H](COC)[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000776212112 724119501 /nfs/dbraw/zinc/11/95/01/724119501.db2.gz KDPCLSKSYBWENR-SNVBAGLBSA-N 1 2 367.081 3.432 20 10 FGCDLO OC[C@]1([NH2+]Cc2cccc(Cl)c2O)CCCN(Cc2ccccc2)C1 ZINC000776175843 724116083 /nfs/dbraw/zinc/11/60/83/724116083.db2.gz VPPHUPVQJTWDJW-FQEVSTJZSA-N 1 2 360.885 3.162 20 10 FGCDLO CC[C@@H]([NH2+][C@@H](CCSC)C(=O)N(C)OC)c1cccc(Cl)c1O ZINC000806147744 725118234 /nfs/dbraw/zinc/11/82/34/725118234.db2.gz LXZIKGGTQYSVFH-KGLIPLIRSA-N 1 2 360.907 3.228 20 10 FGCDLO OC[C@@H]1CCN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1cccc(Cl)c1O ZINC000809764717 725266325 /nfs/dbraw/zinc/26/63/25/725266325.db2.gz HDYUPVVMUNJHDD-HKUYNNGSSA-N 1 2 360.885 3.018 20 10 FGCDLO CC[C@H](C[NH2+]Cc1cc(Br)cc(Br)c1O)OC ZINC000811518377 725372264 /nfs/dbraw/zinc/37/22/64/725372264.db2.gz MDZZEFRJCOABPF-SNVBAGLBSA-N 1 2 367.081 3.432 20 10 FGCDLO O=C1C[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2O)CN1c1ccccc1F ZINC000812782113 726811111 /nfs/dbraw/zinc/81/11/11/726811111.db2.gz MOPRJAYCMFLIMJ-GFCCVEGCSA-N 1 2 352.768 3.219 20 10 FGCDLO Cc1nccnc1CC[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000815651643 727089197 /nfs/dbraw/zinc/08/91/97/727089197.db2.gz ZBSGJGCTGLOALJ-SECBINFHSA-N 1 2 354.223 3.286 20 10 FGCDLO COc1ccc2c(c1)C[C@@H](C(C)C)C[N@H+]2CC1CCS(=O)(=O)CC1 ZINC000817298834 727238346 /nfs/dbraw/zinc/23/83/46/727238346.db2.gz PVMPVVKLCNXKBR-QGZVFWFLSA-N 1 2 351.512 3.155 20 10 FGCDLO COc1ccc2c(c1)C[C@@H](C(C)C)C[N@@H+]2CC1CCS(=O)(=O)CC1 ZINC000817298834 727238347 /nfs/dbraw/zinc/23/83/47/727238347.db2.gz PVMPVVKLCNXKBR-QGZVFWFLSA-N 1 2 351.512 3.155 20 10 FGCDLO CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000824494729 729343185 /nfs/dbraw/zinc/34/31/85/729343185.db2.gz MOZMHXOEGDRUKT-IMRBUKKESA-N 1 2 356.825 3.140 20 10 FGCDLO C[C@H]([NH2+]Cc1nnc(C2CC2)[nH]1)c1ccc(N2CCOCC2)cc1Cl ZINC000834871347 729840104 /nfs/dbraw/zinc/84/01/04/729840104.db2.gz NNQAHHMYFFGALH-LBPRGKRZSA-N 1 2 361.877 3.023 20 10 FGCDLO COc1cccnc1C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000834906312 729845281 /nfs/dbraw/zinc/84/52/81/729845281.db2.gz OVWSTTWEIXRNNV-CQSZACIVSA-N 1 2 361.873 3.431 20 10 FGCDLO Cc1cc(C)c(CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)c[nH+]1 ZINC000842258556 730478810 /nfs/dbraw/zinc/47/88/10/730478810.db2.gz WSAPDODZPGBWPW-UHFFFAOYSA-N 1 2 359.813 3.022 20 10 FGCDLO O=C(NCc1ccccc1)[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000843429252 730620225 /nfs/dbraw/zinc/62/02/25/730620225.db2.gz UFPHQWFKTBTSSJ-CQSZACIVSA-N 1 2 362.832 3.323 20 10 FGCDLO O=C(NCc1ccccc1)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000843429252 730620227 /nfs/dbraw/zinc/62/02/27/730620227.db2.gz UFPHQWFKTBTSSJ-CQSZACIVSA-N 1 2 362.832 3.323 20 10 FGCDLO COc1cc(Br)cc(C[N@H+](C)[C@@H](C)c2nc(C)no2)c1O ZINC000848926345 731221257 /nfs/dbraw/zinc/22/12/57/731221257.db2.gz VKRQVGWYBYTZFR-QMMMGPOBSA-N 1 2 356.220 3.048 20 10 FGCDLO COc1cc(Br)cc(C[N@@H+](C)[C@@H](C)c2nc(C)no2)c1O ZINC000848926345 731221261 /nfs/dbraw/zinc/22/12/61/731221261.db2.gz VKRQVGWYBYTZFR-QMMMGPOBSA-N 1 2 356.220 3.048 20 10 FGCDLO Cc1cc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)c(C)n1-c1ccc(Cl)cc1 ZINC000857888521 732166241 /nfs/dbraw/zinc/16/62/41/732166241.db2.gz WFXUUOPIBGTHOF-OAHLLOKOSA-N 1 2 354.841 3.299 20 10 FGCDLO C[C@H]([NH2+]CCN(C)CC(F)F)c1cc(Br)c(F)cc1O ZINC000858596830 732229903 /nfs/dbraw/zinc/22/99/03/732229903.db2.gz JHQUABQVTAJMCF-QMMMGPOBSA-N 1 2 355.198 3.141 20 10 FGCDLO CO[C@H]1C[C@H]2C[N@H+](Cc3cccc(Cl)c3O)Cc3cccnc3N2C1 ZINC000877688226 736704906 /nfs/dbraw/zinc/70/49/06/736704906.db2.gz RPMIIGCELVUKCV-HOTGVXAUSA-N 1 2 359.857 3.050 20 10 FGCDLO CO[C@H]1C[C@H]2C[N@@H+](Cc3cccc(Cl)c3O)Cc3cccnc3N2C1 ZINC000877688226 736704910 /nfs/dbraw/zinc/70/49/10/736704910.db2.gz RPMIIGCELVUKCV-HOTGVXAUSA-N 1 2 359.857 3.050 20 10 FGCDLO C[C@H]([NH2+]Cc1nnc2ccc(C(F)(F)F)cn21)c1c(O)cccc1F ZINC000886495155 739263058 /nfs/dbraw/zinc/26/30/58/739263058.db2.gz KAERPHZSYNMPAN-VIFPVBQESA-N 1 2 354.307 3.444 20 10 FGCDLO C[N@H+](Cc1c(Cl)n[nH]c1C1CC1)Cc1ccc(N2CCOCC2)cc1 ZINC000891523538 739911201 /nfs/dbraw/zinc/91/12/01/739911201.db2.gz BASGLPKVBGVSTR-UHFFFAOYSA-N 1 2 360.889 3.409 20 10 FGCDLO C[N@@H+](Cc1c(Cl)n[nH]c1C1CC1)Cc1ccc(N2CCOCC2)cc1 ZINC000891523538 739911204 /nfs/dbraw/zinc/91/12/04/739911204.db2.gz BASGLPKVBGVSTR-UHFFFAOYSA-N 1 2 360.889 3.409 20 10 FGCDLO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3cccc(Cl)c3O)CC2)cn1 ZINC000898215381 742759986 /nfs/dbraw/zinc/75/99/86/742759986.db2.gz MKQKEGKQYBXHGV-UHFFFAOYSA-N 1 2 362.817 3.107 20 10 FGCDLO C[C@H]([NH2+][C@@H]1CCOC12CCOCC2)c1cc(Br)cc(F)c1O ZINC000903388088 743843572 /nfs/dbraw/zinc/84/35/72/743843572.db2.gz BOHJAMNZEJEIIV-IINYFYTJSA-N 1 2 374.250 3.283 20 10 FGCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCCSC[C@H]2c2cnn(C)c2)c1O ZINC000933986497 761518055 /nfs/dbraw/zinc/51/80/55/761518055.db2.gz SUXPBTRMSGDYLB-KRWDZBQOSA-N 1 2 363.458 3.148 20 10 FGCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCCSC[C@H]2c2cnn(C)c2)c1O ZINC000933986497 761518061 /nfs/dbraw/zinc/51/80/61/761518061.db2.gz SUXPBTRMSGDYLB-KRWDZBQOSA-N 1 2 363.458 3.148 20 10 FGCDLO O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000108791059 494787196 /nfs/dbraw/zinc/78/71/96/494787196.db2.gz WRWOWSGZQNILLP-AIADIJKESA-N 1 2 366.465 3.013 20 10 FGCDLO C[N@H+](Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1)Cc1ccccc1O ZINC000132957517 494947902 /nfs/dbraw/zinc/94/79/02/494947902.db2.gz NMKXWFPQHAEOCT-UHFFFAOYSA-N 1 2 372.446 3.083 20 10 FGCDLO C[N@@H+](Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1)Cc1ccccc1O ZINC000132957517 494947904 /nfs/dbraw/zinc/94/79/04/494947904.db2.gz NMKXWFPQHAEOCT-UHFFFAOYSA-N 1 2 372.446 3.083 20 10 FGCDLO C[C@H]([NH2+]CCCS(=O)(=O)c1ccccc1)c1ccc(F)c(F)c1O ZINC000187668989 496527922 /nfs/dbraw/zinc/52/79/22/496527922.db2.gz DETLNMCXPYLKLI-LBPRGKRZSA-N 1 2 355.406 3.185 20 10 FGCDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3cc(Cl)cc(C(C)=O)c3O)[C@H]2C1 ZINC000158371081 496687324 /nfs/dbraw/zinc/68/73/24/496687324.db2.gz RIPLBFQVSLPREV-PVAVHDDUSA-N 1 2 353.846 3.017 20 10 FGCDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3cc(Cl)cc(C(C)=O)c3O)[C@H]2C1 ZINC000158371081 496687328 /nfs/dbraw/zinc/68/73/28/496687328.db2.gz RIPLBFQVSLPREV-PVAVHDDUSA-N 1 2 353.846 3.017 20 10 FGCDLO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CC(=O)N2C)c1cc([N+](=O)[O-])ccc1O ZINC000273576936 496845313 /nfs/dbraw/zinc/84/53/13/496845313.db2.gz MASZJMDIKPCOJL-NWDGAFQWSA-N 1 2 355.394 3.231 20 10 FGCDLO CCOC(=O)c1csc([C@H]2CCC[N@@H+]2Cc2cccc(OC)c2O)n1 ZINC000191830712 496903753 /nfs/dbraw/zinc/90/37/53/496903753.db2.gz SRBCSKGBFUMUMO-CQSZACIVSA-N 1 2 362.451 3.371 20 10 FGCDLO CCOC(=O)c1csc([C@H]2CCC[N@H+]2Cc2cccc(OC)c2O)n1 ZINC000191830712 496903758 /nfs/dbraw/zinc/90/37/58/496903758.db2.gz SRBCSKGBFUMUMO-CQSZACIVSA-N 1 2 362.451 3.371 20 10 FGCDLO O=C(NCC(F)(F)F)[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000275122464 497239958 /nfs/dbraw/zinc/23/99/58/497239958.db2.gz HNDAQRDYHXFHPQ-MRVPVSSYSA-N 1 2 371.186 3.199 20 10 FGCDLO O=C(NCC(F)(F)F)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000275122464 497239960 /nfs/dbraw/zinc/23/99/60/497239960.db2.gz HNDAQRDYHXFHPQ-MRVPVSSYSA-N 1 2 371.186 3.199 20 10 FGCDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000280455168 497759088 /nfs/dbraw/zinc/75/90/88/497759088.db2.gz WDBFTFXELIYJJO-GOSISDBHSA-N 1 2 355.486 3.406 20 10 FGCDLO Oc1cc2c(cc1C[N@@H+]1CCCC[C@H]1c1nnc(C3CCC3)o1)OCO2 ZINC000288599546 497842676 /nfs/dbraw/zinc/84/26/76/497842676.db2.gz MMUBABHCALQCER-AWEZNQCLSA-N 1 2 357.410 3.499 20 10 FGCDLO Oc1cc2c(cc1C[N@H+]1CCCC[C@H]1c1nnc(C3CCC3)o1)OCO2 ZINC000288599546 497842685 /nfs/dbraw/zinc/84/26/85/497842685.db2.gz MMUBABHCALQCER-AWEZNQCLSA-N 1 2 357.410 3.499 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)[C@@H]3COc4ccccc43)CC2)cc1 ZINC000365282336 498386403 /nfs/dbraw/zinc/38/64/03/498386403.db2.gz KKMAXNARDZINOP-HXUWFJFHSA-N 1 2 366.461 3.299 20 10 FGCDLO O=C(Nc1ccn2cc[nH+]c2c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000290035764 498403444 /nfs/dbraw/zinc/40/34/44/498403444.db2.gz BEPSLDONFDUCAG-KRWDZBQOSA-N 1 2 366.421 3.253 20 10 FGCDLO CCOCc1nc([C@H](C)[NH2+][C@@H](C)c2ccc(Br)cc2O)no1 ZINC000290279559 498494041 /nfs/dbraw/zinc/49/40/41/498494041.db2.gz XAOSWAPZTFHMGJ-UWVGGRQHSA-N 1 2 370.247 3.486 20 10 FGCDLO CCn1cnnc1[C@H]1C[N@@H+]([C@@H](C)c2cc(Cl)c(Cl)cc2O)CCO1 ZINC000365525720 498512974 /nfs/dbraw/zinc/51/29/74/498512974.db2.gz DHTKULJIYSMUKM-ZUZCIYMTSA-N 1 2 371.268 3.445 20 10 FGCDLO CCn1cnnc1[C@H]1C[N@H+]([C@@H](C)c2cc(Cl)c(Cl)cc2O)CCO1 ZINC000365525720 498512981 /nfs/dbraw/zinc/51/29/81/498512981.db2.gz DHTKULJIYSMUKM-ZUZCIYMTSA-N 1 2 371.268 3.445 20 10 FGCDLO COc1ccc(C[C@](C)(O)C[NH2+]Cc2cccc(Cl)c2O)cc1OC ZINC000291011780 498756692 /nfs/dbraw/zinc/75/66/92/498756692.db2.gz WWRCHIWLFPNBQS-IBGZPJMESA-N 1 2 365.857 3.146 20 10 FGCDLO COc1ccc(N2CCC(N(C)C(=O)c3ccc4[nH+]ccn4c3)CC2)cc1 ZINC000363471442 498837115 /nfs/dbraw/zinc/83/71/15/498837115.db2.gz NPKBRXKTGMORFY-UHFFFAOYSA-N 1 2 364.449 3.084 20 10 FGCDLO CC[C@@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1cc(Cl)cc(Cl)c1O ZINC000287899674 498897282 /nfs/dbraw/zinc/89/72/82/498897282.db2.gz ZODDLYVAAIRHAV-NOZJJQNGSA-N 1 2 352.283 3.174 20 10 FGCDLO Cc1[nH]c2ccccc2c1C1=CCN(c2cc(NC[C@@H](C)O)[nH+]cn2)CC1 ZINC000413204667 499926495 /nfs/dbraw/zinc/92/64/95/499926495.db2.gz OIAGXKDQAXYEGV-CQSZACIVSA-N 1 2 363.465 3.353 20 10 FGCDLO Cc1[nH]c2ccccc2c1C1=CCN(c2cc(NC[C@@H](C)O)nc[nH+]2)CC1 ZINC000413204667 499926497 /nfs/dbraw/zinc/92/64/97/499926497.db2.gz OIAGXKDQAXYEGV-CQSZACIVSA-N 1 2 363.465 3.353 20 10 FGCDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)Cc2ccc(N)cc2)CC1 ZINC000178822303 705677233 /nfs/dbraw/zinc/67/72/33/705677233.db2.gz MUNLXYRKHYNPNU-HNNXBMFYSA-N 1 2 357.885 3.370 20 10 FGCDLO CC(C)(C)OC(=O)NCC(F)(F)C[NH2+]Cc1cc(Cl)ccc1O ZINC000230942886 713577864 /nfs/dbraw/zinc/57/78/64/713577864.db2.gz RXOMVVVGIUDCSF-UHFFFAOYSA-N 1 2 350.793 3.295 20 10 FGCDLO CCc1nc(CN2CCC[C@H]([N@H+](C)Cc3cccc(Cl)c3O)C2)no1 ZINC000374995495 713959721 /nfs/dbraw/zinc/95/97/21/713959721.db2.gz DADJNKBFDZYHTG-AWEZNQCLSA-N 1 2 364.877 3.087 20 10 FGCDLO CCc1nc(CN2CCC[C@H]([N@@H+](C)Cc3cccc(Cl)c3O)C2)no1 ZINC000374995495 713959726 /nfs/dbraw/zinc/95/97/26/713959726.db2.gz DADJNKBFDZYHTG-AWEZNQCLSA-N 1 2 364.877 3.087 20 10 FGCDLO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1cc(C)cc(Br)c1O ZINC000781903358 724609942 /nfs/dbraw/zinc/60/99/42/724609942.db2.gz ZSVDHWSPTRQFDM-OAHLLOKOSA-N 1 2 369.303 3.296 20 10 FGCDLO CCN(CC)C(=O)[C@H]1CCC[N@H+]1Cc1cc(C)cc(Br)c1O ZINC000781903358 724609945 /nfs/dbraw/zinc/60/99/45/724609945.db2.gz ZSVDHWSPTRQFDM-OAHLLOKOSA-N 1 2 369.303 3.296 20 10 FGCDLO Cc1ccc(C)n1-c1ccsc1C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000730832152 722471336 /nfs/dbraw/zinc/47/13/36/722471336.db2.gz BZPONBIGUDYSKY-UHFFFAOYSA-N 1 2 353.447 3.454 20 10 FGCDLO O=C(N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)C1=CC(=O)CS1 ZINC000734017217 722503453 /nfs/dbraw/zinc/50/34/53/722503453.db2.gz GTSMFYQFQFEYOB-CYBMUJFWSA-N 1 2 370.396 3.477 20 10 FGCDLO O=C(N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)C1=CC(=O)CS1 ZINC000734017217 722503454 /nfs/dbraw/zinc/50/34/54/722503454.db2.gz GTSMFYQFQFEYOB-CYBMUJFWSA-N 1 2 370.396 3.477 20 10 FGCDLO C[C@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1cc(F)cc(F)c1O ZINC000756434799 722964524 /nfs/dbraw/zinc/96/45/24/722964524.db2.gz PVYNQNBGLHALPZ-NSHDSACASA-N 1 2 355.406 3.066 20 10 FGCDLO CC(=O)N1CCC(C[NH2+][C@@H](C)c2cc(Br)c(F)cc2O)CC1 ZINC000756544174 722966531 /nfs/dbraw/zinc/96/65/31/722966531.db2.gz SXKDXPMEYNMEAW-JTQLQIEISA-N 1 2 373.266 3.203 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)c1O ZINC000790384405 723134140 /nfs/dbraw/zinc/13/41/40/723134140.db2.gz HGVUQOMFNIGVHO-FNFWKMNBSA-N 1 2 353.846 3.017 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)c1O ZINC000790384405 723134143 /nfs/dbraw/zinc/13/41/43/723134143.db2.gz HGVUQOMFNIGVHO-FNFWKMNBSA-N 1 2 353.846 3.017 20 10 FGCDLO Oc1cc2c(cc1C[N@@H+]1CCO[C@H](c3cccc(Cl)c3)C1)[C@@H](O)CO2 ZINC000767504476 723621408 /nfs/dbraw/zinc/62/14/08/723621408.db2.gz ULLGDBRKJNRXKR-HKUYNNGSSA-N 1 2 361.825 3.045 20 10 FGCDLO Oc1cc2c(cc1C[N@H+]1CCO[C@H](c3cccc(Cl)c3)C1)[C@@H](O)CO2 ZINC000767504476 723621410 /nfs/dbraw/zinc/62/14/10/723621410.db2.gz ULLGDBRKJNRXKR-HKUYNNGSSA-N 1 2 361.825 3.045 20 10 FGCDLO Cn1cc([C@@H](O)C[C@@H]2CCC[N@@H+]2Cc2cc(Cl)cc(F)c2O)cn1 ZINC000775745273 724037168 /nfs/dbraw/zinc/03/71/68/724037168.db2.gz STYJISQOZZSWQA-HOCLYGCPSA-N 1 2 353.825 3.006 20 10 FGCDLO Cn1cc([C@@H](O)C[C@@H]2CCC[N@H+]2Cc2cc(Cl)cc(F)c2O)cn1 ZINC000775745273 724037173 /nfs/dbraw/zinc/03/71/73/724037173.db2.gz STYJISQOZZSWQA-HOCLYGCPSA-N 1 2 353.825 3.006 20 10 FGCDLO CC[C@@H](COC)[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000776212108 724119424 /nfs/dbraw/zinc/11/94/24/724119424.db2.gz KDPCLSKSYBWENR-JTQLQIEISA-N 1 2 367.081 3.432 20 10 FGCDLO COc1cc(C)[nH+]c(/C=C2\SC(=S)N(CCCSC)C2=O)c1 ZINC000776726513 724174714 /nfs/dbraw/zinc/17/47/14/724174714.db2.gz KGWWSKROIAQQEI-LCYFTJDESA-N 1 2 354.522 3.353 20 10 FGCDLO C[C@@H]([NH2+]Cc1ncnn1C(C)(C)C)c1cc(Br)cc(F)c1O ZINC000800500635 724203918 /nfs/dbraw/zinc/20/39/18/724203918.db2.gz SNAYKUCJAACEKY-SECBINFHSA-N 1 2 371.254 3.491 20 10 FGCDLO CC[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1)c1cccc(Cl)c1O ZINC000806135232 725117530 /nfs/dbraw/zinc/11/75/30/725117530.db2.gz RLNVOUQSHOYTIV-MRXNPFEDSA-N 1 2 368.886 3.065 20 10 FGCDLO CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1C[NH2+]Cc1cccc(Cl)c1O ZINC000814172392 726944582 /nfs/dbraw/zinc/94/45/82/726944582.db2.gz LLGCJAIWECVEAL-STQMWFEESA-N 1 2 358.841 3.483 20 10 FGCDLO CC(=O)c1cc(F)cc(C[NH2+][C@H](C)c2ncc(Br)cn2)c1O ZINC000814654643 726990102 /nfs/dbraw/zinc/99/01/02/726990102.db2.gz FCIGMDBBFMQWQG-MRVPVSSYSA-N 1 2 368.206 3.137 20 10 FGCDLO CC[NH2+]CC[NH2+][C@@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000817951947 727289491 /nfs/dbraw/zinc/28/94/91/727289491.db2.gz LOKRLXGAYRJPBW-QMMMGPOBSA-N 1 2 366.097 3.177 20 10 FGCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@@H](OC(=O)N(C)C)C2)c1 ZINC000824615165 729350842 /nfs/dbraw/zinc/35/08/42/729350842.db2.gz BPGHNDGOKGCYMB-CYBMUJFWSA-N 1 2 371.275 3.126 20 10 FGCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@@H](OC(=O)N(C)C)C2)c1 ZINC000824615165 729350843 /nfs/dbraw/zinc/35/08/43/729350843.db2.gz BPGHNDGOKGCYMB-CYBMUJFWSA-N 1 2 371.275 3.126 20 10 FGCDLO CC(C)c1nnc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2Cl)[nH]1 ZINC000834871984 729840458 /nfs/dbraw/zinc/84/04/58/729840458.db2.gz OUHFKTTURHNJNZ-CYBMUJFWSA-N 1 2 363.893 3.269 20 10 FGCDLO C[C@@H](Cc1cnn(C)c1)[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000834896290 729844610 /nfs/dbraw/zinc/84/46/10/729844610.db2.gz JSXSYFGSWPQYDB-UWVGGRQHSA-N 1 2 356.239 3.309 20 10 FGCDLO COc1cc(Br)cc(C[N@@H+]2CCO[C@@H](C3CCC3)C2)c1O ZINC000840954617 730196574 /nfs/dbraw/zinc/19/65/74/730196574.db2.gz LGEARPOJLBPINH-OAHLLOKOSA-N 1 2 356.260 3.164 20 10 FGCDLO COc1cc(Br)cc(C[N@H+]2CCO[C@@H](C3CCC3)C2)c1O ZINC000840954617 730196575 /nfs/dbraw/zinc/19/65/75/730196575.db2.gz LGEARPOJLBPINH-OAHLLOKOSA-N 1 2 356.260 3.164 20 10 FGCDLO C[C@H]([NH2+][C@H]1CCN(CC(F)F)C1)c1cc(Br)c(F)cc1O ZINC000841764761 730271966 /nfs/dbraw/zinc/27/19/66/730271966.db2.gz IBRBEZNRUOPTOG-IUCAKERBSA-N 1 2 367.209 3.284 20 10 FGCDLO COc1ccc(OC)c([C@H](O)[C@H](C)[NH2+]Cc2cccc(Cl)c2O)c1 ZINC000877832204 736733472 /nfs/dbraw/zinc/73/34/72/736733472.db2.gz IAXWOGUNRCUJCR-APPDUMDISA-N 1 2 351.830 3.275 20 10 FGCDLO C[C@H](C[C@H](O)c1ccco1)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000883079273 737519647 /nfs/dbraw/zinc/51/96/47/737519647.db2.gz NZEIAHPSOKSGAL-RNCFNFMXSA-N 1 2 358.207 3.489 20 10 FGCDLO Oc1ccccc1C[N@@H+](Cc1nc(Br)c[nH]1)C[C@@H]1CCCO1 ZINC000891468352 739904987 /nfs/dbraw/zinc/90/49/87/739904987.db2.gz VIKUBMCBWHPSAB-ZDUSSCGKSA-N 1 2 366.259 3.059 20 10 FGCDLO Oc1ccccc1C[N@H+](Cc1nc(Br)c[nH]1)C[C@@H]1CCCO1 ZINC000891468352 739904988 /nfs/dbraw/zinc/90/49/88/739904988.db2.gz VIKUBMCBWHPSAB-ZDUSSCGKSA-N 1 2 366.259 3.059 20 10 FGCDLO Oc1c(Br)cc(Cl)cc1C[NH+]1CCC2(CC1)OCCO2 ZINC000893920475 742213737 /nfs/dbraw/zinc/21/37/37/742213737.db2.gz AFTWKGNWVJGWKP-UHFFFAOYSA-N 1 2 362.651 3.147 20 10 FGCDLO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ncco1 ZINC000924705253 759374104 /nfs/dbraw/zinc/37/41/04/759374104.db2.gz KSERVJYPXSHYJW-GFCCVEGCSA-N 1 2 355.360 3.381 20 10 FGCDLO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ncco1 ZINC000924705254 759374143 /nfs/dbraw/zinc/37/41/43/759374143.db2.gz KSERVJYPXSHYJW-LBPRGKRZSA-N 1 2 355.360 3.381 20 10 FGCDLO CCS(=O)(=O)c1ccccc1CC[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000926910910 759845764 /nfs/dbraw/zinc/84/57/64/759845764.db2.gz XJYQNLHTHYNPKL-GFCCVEGCSA-N 1 2 369.433 3.357 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(CO)(C(F)(F)F)CC2)c1O ZINC000932824128 761254317 /nfs/dbraw/zinc/25/43/17/761254317.db2.gz ISMNSNLODGLMEW-UHFFFAOYSA-N 1 2 365.779 3.385 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)N[C@@H](C)c3ccncc3)CC2)cc1 ZINC000066174621 494283021 /nfs/dbraw/zinc/28/30/21/494283021.db2.gz FJFVGIHDKJPISS-INIZCTEOSA-N 1 2 368.481 3.462 20 10 FGCDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N(C)Cc3ccccc3O)n2)C1 ZINC000047377863 494694312 /nfs/dbraw/zinc/69/43/12/494694312.db2.gz IARJUGPUKNMGJS-AWEZNQCLSA-N 1 2 374.510 3.166 20 10 FGCDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N(C)Cc3ccccc3O)n2)C1 ZINC000047377863 494694321 /nfs/dbraw/zinc/69/43/21/494694321.db2.gz IARJUGPUKNMGJS-AWEZNQCLSA-N 1 2 374.510 3.166 20 10 FGCDLO C[C@@H]([NH2+]Cc1nc(COc2ccccc2)n[nH]1)c1ccc(N(C)C)cc1 ZINC000186435156 495997717 /nfs/dbraw/zinc/99/77/17/495997717.db2.gz LYZYRAXVTXTAIC-OAHLLOKOSA-N 1 2 351.454 3.301 20 10 FGCDLO C[C@@H]([NH2+]Cc1nnc(COc2ccccc2)[nH]1)c1ccc(N(C)C)cc1 ZINC000186435156 495997719 /nfs/dbraw/zinc/99/77/19/495997719.db2.gz LYZYRAXVTXTAIC-OAHLLOKOSA-N 1 2 351.454 3.301 20 10 FGCDLO COCCCOC1CC[NH+](Cc2cc(Cl)cc(C(C)=O)c2O)CC1 ZINC000177291678 496007780 /nfs/dbraw/zinc/00/77/80/496007780.db2.gz AIOLBMWKNNIAKB-UHFFFAOYSA-N 1 2 355.862 3.266 20 10 FGCDLO COc1cc(OC)cc([C@@H](O)C[NH2+][C@H](C)c2ccc(F)c(F)c2O)c1 ZINC000187725896 496547765 /nfs/dbraw/zinc/54/77/65/496547765.db2.gz JLTMGMMDYCGQGR-HWPZZCPQSA-N 1 2 353.365 3.072 20 10 FGCDLO COc1cc(OC)cc([C@@H](O)C[NH2+][C@@H](C)c2ccc(F)c(F)c2O)c1 ZINC000187725874 496548413 /nfs/dbraw/zinc/54/84/13/496548413.db2.gz JLTMGMMDYCGQGR-QFYYESIMSA-N 1 2 353.365 3.072 20 10 FGCDLO COc1cc(O)c(C[NH2+][C@H](C)c2nc(Cc3ccccc3)no2)cc1OC ZINC000191595122 496825772 /nfs/dbraw/zinc/82/57/72/496825772.db2.gz WLPTYAWWGRKOPA-CYBMUJFWSA-N 1 2 369.421 3.234 20 10 FGCDLO C[C@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)c1ccc(F)c(F)c1O ZINC000191197798 497741290 /nfs/dbraw/zinc/74/12/90/497741290.db2.gz MYVYHNZYSDGHJG-NSHDSACASA-N 1 2 350.365 3.219 20 10 FGCDLO CC(C)(C)OC(=O)N1CCN(C(=O)C=Cc2c[nH]c[nH+]2)c2ccccc21 ZINC000292818212 498158071 /nfs/dbraw/zinc/15/80/71/498158071.db2.gz VTIOJEAKKLTBIN-CMDGGOBGSA-N 1 2 354.410 3.211 20 10 FGCDLO COc1cc(O)c(C[NH2+][C@H](c2ccn(C)n2)c2ccc(F)cc2)cc1OC ZINC000360036867 498237078 /nfs/dbraw/zinc/23/70/78/498237078.db2.gz AOTBLJAZBNVFEE-FQEVSTJZSA-N 1 2 371.412 3.161 20 10 FGCDLO Cc1[nH+]c(CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)c2n1CCCC2 ZINC000360062666 498242234 /nfs/dbraw/zinc/24/22/34/498242234.db2.gz WHLJFCQYEYYSPH-OAHLLOKOSA-N 1 2 372.488 3.354 20 10 FGCDLO CC(C)c1nc(N(C)C)nc(NCc2ccc(N3CCSCC3)cc2)[nH+]1 ZINC000301950998 498342183 /nfs/dbraw/zinc/34/21/83/498342183.db2.gz ZTLFEWHHBIBNEH-UHFFFAOYSA-N 1 2 372.542 3.226 20 10 FGCDLO CC(C)c1nc(NCc2ccc(N3CCSCC3)cc2)nc(N(C)C)[nH+]1 ZINC000301950998 498342192 /nfs/dbraw/zinc/34/21/92/498342192.db2.gz ZTLFEWHHBIBNEH-UHFFFAOYSA-N 1 2 372.542 3.226 20 10 FGCDLO COc1cc[nH+]cc1CNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000297200862 498355234 /nfs/dbraw/zinc/35/52/34/498355234.db2.gz DGYTWPJDXDRUBQ-UHFFFAOYSA-N 1 2 368.481 3.422 20 10 FGCDLO COc1ccc2[nH]cc(C3=CCN(c4nc[nH+]c(N)c4Cl)CC3)c2c1 ZINC000302032569 498377064 /nfs/dbraw/zinc/37/70/64/498377064.db2.gz CSIFKYLMJXWBAM-UHFFFAOYSA-N 1 2 355.829 3.496 20 10 FGCDLO COc1ccc2[nH]cc(C3=CCN(c4[nH+]cnc(N)c4Cl)CC3)c2c1 ZINC000302032569 498377066 /nfs/dbraw/zinc/37/70/66/498377066.db2.gz CSIFKYLMJXWBAM-UHFFFAOYSA-N 1 2 355.829 3.496 20 10 FGCDLO CC[C@H]([NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O)c1cccc(Cl)c1O ZINC000287540847 498791932 /nfs/dbraw/zinc/79/19/32/498791932.db2.gz FAQSVJKJSCNRRL-GJZGRUSLSA-N 1 2 362.861 3.015 20 10 FGCDLO CCc1ncsc1C(=O)N(C)C1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000371006967 499279764 /nfs/dbraw/zinc/27/97/64/499279764.db2.gz SRDBBUCPZFAFQQ-UHFFFAOYSA-N 1 2 359.495 3.455 20 10 FGCDLO CC[C@H]([NH2+][C@@H]1CCc2cn[nH]c2C1)c1cc(Br)ccc1O ZINC000372344513 499423021 /nfs/dbraw/zinc/42/30/21/499423021.db2.gz GCRSTHOVNYTPCE-OCCSQVGLSA-N 1 2 350.260 3.476 20 10 FGCDLO Oc1c(Cl)cc(Cl)cc1CN1CC[NH+](CC2CCOCC2)CC1 ZINC000179626389 705707852 /nfs/dbraw/zinc/70/78/52/705707852.db2.gz MYFUNJFTAZINQK-UHFFFAOYSA-N 1 2 359.297 3.243 20 10 FGCDLO COc1ccc(O)c([C@@H](C)[NH2+]CC(F)(F)CNC(=O)OC(C)(C)C)c1 ZINC000187648113 712750921 /nfs/dbraw/zinc/75/09/21/712750921.db2.gz VJIYYAPZFVGHGU-LLVKDONJSA-N 1 2 360.401 3.211 20 10 FGCDLO Cc1cc(Br)c(O)c(C[N@@H+](C)Cc2ncc(Cl)n2C)c1 ZINC000781919541 724612637 /nfs/dbraw/zinc/61/26/37/724612637.db2.gz BYYPXOMEIURFFZ-UHFFFAOYSA-N 1 2 358.667 3.482 20 10 FGCDLO Cc1cc(Br)c(O)c(C[N@H+](C)Cc2ncc(Cl)n2C)c1 ZINC000781919541 724612639 /nfs/dbraw/zinc/61/26/39/724612639.db2.gz BYYPXOMEIURFFZ-UHFFFAOYSA-N 1 2 358.667 3.482 20 10 FGCDLO C[C@@H](C[S@@](C)=O)[N@H+](C)Cc1cc(Cl)cc(Br)c1O ZINC000708075936 722412730 /nfs/dbraw/zinc/41/27/30/722412730.db2.gz QQGKWPHKGIXASF-DCXZOGHSSA-N 1 2 354.697 3.007 20 10 FGCDLO C[C@@H](C[S@@](C)=O)[N@@H+](C)Cc1cc(Cl)cc(Br)c1O ZINC000708075936 722412732 /nfs/dbraw/zinc/41/27/32/722412732.db2.gz QQGKWPHKGIXASF-DCXZOGHSSA-N 1 2 354.697 3.007 20 10 FGCDLO C[C@H](C[S@@](C)=O)[N@H+](C)Cc1cc(Cl)cc(Br)c1O ZINC000708075937 722412606 /nfs/dbraw/zinc/41/26/06/722412606.db2.gz QQGKWPHKGIXASF-NTCNTBNZSA-N 1 2 354.697 3.007 20 10 FGCDLO C[C@H](C[S@@](C)=O)[N@@H+](C)Cc1cc(Cl)cc(Br)c1O ZINC000708075937 722412607 /nfs/dbraw/zinc/41/26/07/722412607.db2.gz QQGKWPHKGIXASF-NTCNTBNZSA-N 1 2 354.697 3.007 20 10 FGCDLO CCN(CC)c1ccc(C[N@H+](C)CCS(=O)(=O)c2ccccc2)cc1 ZINC000741677850 722548276 /nfs/dbraw/zinc/54/82/76/722548276.db2.gz DJWNUWLLILIQMA-UHFFFAOYSA-N 1 2 360.523 3.439 20 10 FGCDLO CCN(CC)c1ccc(C[N@@H+](C)CCS(=O)(=O)c2ccccc2)cc1 ZINC000741677850 722548277 /nfs/dbraw/zinc/54/82/77/722548277.db2.gz DJWNUWLLILIQMA-UHFFFAOYSA-N 1 2 360.523 3.439 20 10 FGCDLO C[C@H]([NH2+][C@@H](C(N)=O)c1ccccc1)c1cc(Br)c(F)cc1O ZINC000756382057 722963696 /nfs/dbraw/zinc/96/36/96/722963696.db2.gz QPMNGMATSQIPRN-BJOHPYRUSA-N 1 2 367.218 3.171 20 10 FGCDLO C[C@H]([NH2+]CCNc1nccc(C(F)(F)F)n1)c1cc(F)cc(F)c1O ZINC000756584946 722967157 /nfs/dbraw/zinc/96/71/57/722967157.db2.gz HHWXTDBMURUOMD-QMMMGPOBSA-N 1 2 362.302 3.242 20 10 FGCDLO C[C@@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C[C@H](C)[S@@]1=O ZINC000792192340 723320167 /nfs/dbraw/zinc/32/01/67/723320167.db2.gz MRJMOORRUIBHJE-YEZXQBTPSA-N 1 2 359.491 3.313 20 10 FGCDLO C[C@@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C[C@H](C)[S@@]1=O ZINC000792192340 723320169 /nfs/dbraw/zinc/32/01/69/723320169.db2.gz MRJMOORRUIBHJE-YEZXQBTPSA-N 1 2 359.491 3.313 20 10 FGCDLO COc1cc(Br)cc(C[N@@H+]2C[C@@H](C)O[C@H](C3CC3)C2)c1O ZINC000793214584 723412104 /nfs/dbraw/zinc/41/21/04/723412104.db2.gz PDCKAANSWXDPBB-BMIGLBTASA-N 1 2 356.260 3.163 20 10 FGCDLO COc1cc(Br)cc(C[N@H+]2C[C@@H](C)O[C@H](C3CC3)C2)c1O ZINC000793214584 723412105 /nfs/dbraw/zinc/41/21/05/723412105.db2.gz PDCKAANSWXDPBB-BMIGLBTASA-N 1 2 356.260 3.163 20 10 FGCDLO CCO[C@@H](C)c1nc(C[N@H+](C)Cc2cc3c(cc2O)OC[C@@H]3O)cs1 ZINC000768465548 723658471 /nfs/dbraw/zinc/65/84/71/723658471.db2.gz IPKUQPVOHSQJJG-ZBEGNZNMSA-N 1 2 364.467 3.004 20 10 FGCDLO CCO[C@@H](C)c1nc(C[N@@H+](C)Cc2cc3c(cc2O)OC[C@@H]3O)cs1 ZINC000768465548 723658472 /nfs/dbraw/zinc/65/84/72/723658472.db2.gz IPKUQPVOHSQJJG-ZBEGNZNMSA-N 1 2 364.467 3.004 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)c1O ZINC000797527242 723830335 /nfs/dbraw/zinc/83/03/35/723830335.db2.gz DWIXDALDJAKESZ-NQCMUKECSA-N 1 2 367.873 3.407 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)c1O ZINC000797527242 723830338 /nfs/dbraw/zinc/83/03/38/723830338.db2.gz DWIXDALDJAKESZ-NQCMUKECSA-N 1 2 367.873 3.407 20 10 FGCDLO Oc1c(F)cc(Cl)cc1C[NH+]1CCC(c2nnc3n2CCCC3)CC1 ZINC000775993755 724094713 /nfs/dbraw/zinc/09/47/13/724094713.db2.gz BKOYYGPBRZYJGA-UHFFFAOYSA-N 1 2 364.852 3.492 20 10 FGCDLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1cc(C)cc(Br)c1O ZINC000786580083 724989784 /nfs/dbraw/zinc/98/97/84/724989784.db2.gz XKIYUGJCAYNHKR-WHOFXGATSA-N 1 2 368.271 3.237 20 10 FGCDLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1cc(C)cc(Br)c1O ZINC000786580083 724989786 /nfs/dbraw/zinc/98/97/86/724989786.db2.gz XKIYUGJCAYNHKR-WHOFXGATSA-N 1 2 368.271 3.237 20 10 FGCDLO Oc1c(Br)cccc1C[NH2+]Cc1nc(-c2ccccc2)no1 ZINC000788430603 725063941 /nfs/dbraw/zinc/06/39/41/725063941.db2.gz ABRZIRZWXHNIMG-UHFFFAOYSA-N 1 2 360.211 3.495 20 10 FGCDLO O=C(CC(F)(F)F)NC[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000809689974 725259004 /nfs/dbraw/zinc/25/90/04/725259004.db2.gz GKWYJIPTKWCZQU-NSHDSACASA-N 1 2 364.795 3.326 20 10 FGCDLO O=C(CC(F)(F)F)NC[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000809689974 725259005 /nfs/dbraw/zinc/25/90/05/725259005.db2.gz GKWYJIPTKWCZQU-NSHDSACASA-N 1 2 364.795 3.326 20 10 FGCDLO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+]Cc2cccc(Cl)c2O)s1 ZINC000809721293 725262772 /nfs/dbraw/zinc/26/27/72/725262772.db2.gz PDYGIIIQBMMWNR-ZJUUUORDSA-N 1 2 368.890 3.212 20 10 FGCDLO O=C(CCC(F)(F)F)N1CCC[C@@H]([NH2+]Cc2cccc(Cl)c2O)C1 ZINC000809723451 725262862 /nfs/dbraw/zinc/26/28/62/725262862.db2.gz WYDFPDXTAKDUOE-GFCCVEGCSA-N 1 2 364.795 3.469 20 10 FGCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@H](OC(=O)N(C)C)C2)c1 ZINC000824615167 729351046 /nfs/dbraw/zinc/35/10/46/729351046.db2.gz BPGHNDGOKGCYMB-ZDUSSCGKSA-N 1 2 371.275 3.126 20 10 FGCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@H](OC(=O)N(C)C)C2)c1 ZINC000824615167 729351048 /nfs/dbraw/zinc/35/10/48/729351048.db2.gz BPGHNDGOKGCYMB-ZDUSSCGKSA-N 1 2 371.275 3.126 20 10 FGCDLO COc1ccc(O)c(C[NH2+][C@@H](CCNC(=O)OC(C)(C)C)C(F)F)c1 ZINC000824672395 729354137 /nfs/dbraw/zinc/35/41/37/729354137.db2.gz BHDHRHQDPVPZQO-ZDUSSCGKSA-N 1 2 360.401 3.039 20 10 FGCDLO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(Br)c1O ZINC000824861543 729362956 /nfs/dbraw/zinc/36/29/56/729362956.db2.gz MXBVDKIMLYWNLF-OCCSQVGLSA-N 1 2 356.260 3.366 20 10 FGCDLO CCN(C)c1ccc([C@H](C)[NH2+]Cc2nn(C)cc2Br)cc1 ZINC000834883401 729842166 /nfs/dbraw/zinc/84/21/66/729842166.db2.gz KTZXAWXECNDZPG-LBPRGKRZSA-N 1 2 351.292 3.490 20 10 FGCDLO Cc1cc(O)c(C[N@@H+]2CCOC[C@@H]2C[C@@H](O)c2ccco2)c(Cl)c1 ZINC000840920978 730191781 /nfs/dbraw/zinc/19/17/81/730191781.db2.gz LLJJGQJYCLJBCD-SUMWQHHRSA-N 1 2 351.830 3.272 20 10 FGCDLO Cc1cc(O)c(C[N@H+]2CCOC[C@@H]2C[C@@H](O)c2ccco2)c(Cl)c1 ZINC000840920978 730191783 /nfs/dbraw/zinc/19/17/83/730191783.db2.gz LLJJGQJYCLJBCD-SUMWQHHRSA-N 1 2 351.830 3.272 20 10 FGCDLO C[C@@H]([NH2+][C@H]1CCN(CC(F)F)C1)c1cc(Br)cc(F)c1O ZINC000841765374 730272240 /nfs/dbraw/zinc/27/22/40/730272240.db2.gz RCFLVJPKZNKOMY-SCZZXKLOSA-N 1 2 367.209 3.284 20 10 FGCDLO Cc1cc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)c(C)n1-c1ccc(Cl)cc1 ZINC000857888520 732166175 /nfs/dbraw/zinc/16/61/75/732166175.db2.gz WFXUUOPIBGTHOF-HNNXBMFYSA-N 1 2 354.841 3.299 20 10 FGCDLO C[C@@H]([NH2+]Cc1c(O)cccc1Br)c1nnc2n1CCCCC2 ZINC000858094829 732179902 /nfs/dbraw/zinc/17/99/02/732179902.db2.gz IEYNOKXNENJCGZ-LLVKDONJSA-N 1 2 365.275 3.323 20 10 FGCDLO COC(=O)C1=CC[C@@H]([NH2+][C@H](C)c2cc(Br)cc(F)c2O)C1 ZINC000858471191 732218099 /nfs/dbraw/zinc/21/80/99/732218099.db2.gz BTQSGRHNXFAQNA-LDYMZIIASA-N 1 2 358.207 3.206 20 10 FGCDLO C[C@@H]1C[C@@]2(CC[C@H](C[NH2+]Cc3cc(Br)cc(F)c3O)O2)CO1 ZINC000886328713 739244975 /nfs/dbraw/zinc/24/49/75/739244975.db2.gz PGIBMYWSPQKXNL-ZXIHIIQKSA-N 1 2 374.250 3.110 20 10 FGCDLO COC1CCN(C2(C[NH2+]Cc3cc(F)cc(F)c3O)CCCC2)CC1 ZINC000882989444 737509051 /nfs/dbraw/zinc/50/90/51/737509051.db2.gz QMUVEDIYZBUDQJ-UHFFFAOYSA-N 1 2 354.441 3.184 20 10 FGCDLO CN(C)c1cccc(C[NH2+]Cc2cc(Br)cc(F)c2O)n1 ZINC000883075428 737518580 /nfs/dbraw/zinc/51/85/80/737518580.db2.gz BMYORVLMSFNSQG-UHFFFAOYSA-N 1 2 354.223 3.045 20 10 FGCDLO Cc1ccc([C@H]([NH2+]Cc2cc(F)cc(F)c2O)[C@@H](C)S(C)(=O)=O)cc1 ZINC000894647931 742313999 /nfs/dbraw/zinc/31/39/99/742313999.db2.gz HESWCZXVWAOBEU-SJKOYZFVSA-N 1 2 369.433 3.243 20 10 FGCDLO COC(=O)c1oc(C[NH2+]Cc2cc(Br)cc(F)c2O)cc1C ZINC000895444578 742412777 /nfs/dbraw/zinc/41/27/77/742412777.db2.gz NOBKBVQHQLEBPG-UHFFFAOYSA-N 1 2 372.190 3.272 20 10 FGCDLO C[C@@H](NCc1cc(N(C)C)cc[nH+]1)c1cc(Br)ccc1O ZINC000903198703 743821389 /nfs/dbraw/zinc/82/13/89/743821389.db2.gz PDZFXASGMMLQOD-LLVKDONJSA-N 1 2 350.260 3.467 20 10 FGCDLO Cc1cc(C(=O)C[N@H+](C)CCO)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000916645242 758111853 /nfs/dbraw/zinc/11/18/53/758111853.db2.gz YZLREPFUJALQTG-UHFFFAOYSA-N 1 2 354.372 3.220 20 10 FGCDLO Cc1cc(C(=O)C[N@@H+](C)CCO)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000916645242 758111864 /nfs/dbraw/zinc/11/18/64/758111864.db2.gz YZLREPFUJALQTG-UHFFFAOYSA-N 1 2 354.372 3.220 20 10 FGCDLO C[NH+](C)CC[C@@H]([NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cccnc1 ZINC000922632257 758966049 /nfs/dbraw/zinc/96/60/49/758966049.db2.gz PJKSVICETFOEBU-OAHLLOKOSA-N 1 2 364.833 3.131 20 10 FGCDLO Cc1cc(CC[NH2+][C@@H](C)c2cc(Br)c(F)cc2O)nn1C ZINC000926912455 759846984 /nfs/dbraw/zinc/84/69/84/759846984.db2.gz XEELPUJMYLRLJN-JTQLQIEISA-N 1 2 356.239 3.229 20 10 FGCDLO CC(C)(C)c1nc(NCc2ccc(N3CCC(O)CC3)c(F)c2)cc[nH+]1 ZINC000080785377 493778061 /nfs/dbraw/zinc/77/80/61/493778061.db2.gz AYICWICLSDMFFR-UHFFFAOYSA-N 1 2 358.461 3.486 20 10 FGCDLO CCCN(Cc1ccccc1O)C(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000069480723 493975524 /nfs/dbraw/zinc/97/55/24/493975524.db2.gz SEZMZKUGIKZJMF-UHFFFAOYSA-N 1 2 352.438 3.470 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)N[C@H](C)c3cccnc3)CC2)cc1 ZINC000066175628 494283740 /nfs/dbraw/zinc/28/37/40/494283740.db2.gz DODYDUPZZRDJBJ-MRXNPFEDSA-N 1 2 368.481 3.462 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)CC3(O)CCCCC3)CC2)cc1 ZINC000073244099 494343748 /nfs/dbraw/zinc/34/37/48/494343748.db2.gz BQQLCBVFDDHWLO-UHFFFAOYSA-N 1 2 360.498 3.208 20 10 FGCDLO Cn1ccnc1[C@@H](O)[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000092011280 494753978 /nfs/dbraw/zinc/75/39/78/494753978.db2.gz NNHDSWIZOQAQBG-BZNIZROVSA-N 1 2 370.280 3.378 20 10 FGCDLO Cn1ccnc1[C@@H](O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000092011280 494753986 /nfs/dbraw/zinc/75/39/86/494753986.db2.gz NNHDSWIZOQAQBG-BZNIZROVSA-N 1 2 370.280 3.378 20 10 FGCDLO C[C@H]([NH2+][C@@H](CN1CCOCC1)c1ccccc1)c1cc([N+](=O)[O-])ccc1O ZINC000273387168 496791709 /nfs/dbraw/zinc/79/17/09/496791709.db2.gz JWPMHTVQOLFNIA-KXBFYZLASA-N 1 2 371.437 3.025 20 10 FGCDLO CC[N@H+](Cc1cc(Br)ccc1O)[C@@H](C)c1nnnn1C1CC1 ZINC000192050243 496976926 /nfs/dbraw/zinc/97/69/26/496976926.db2.gz AMJKSQCSAVYXTP-JTQLQIEISA-N 1 2 366.263 3.059 20 10 FGCDLO CC[N@@H+](Cc1cc(Br)ccc1O)[C@@H](C)c1nnnn1C1CC1 ZINC000192050243 496976930 /nfs/dbraw/zinc/97/69/30/496976930.db2.gz AMJKSQCSAVYXTP-JTQLQIEISA-N 1 2 366.263 3.059 20 10 FGCDLO CCN(CC)c1ccc(C[N@H+](C)Cc2nc([C@@H](C)OC)no2)cc1F ZINC000271242146 497299780 /nfs/dbraw/zinc/29/97/80/497299780.db2.gz YZGNNJONVPJZTK-CYBMUJFWSA-N 1 2 350.438 3.394 20 10 FGCDLO CCN(CC)c1ccc(C[N@@H+](C)Cc2nc([C@@H](C)OC)no2)cc1F ZINC000271242146 497299785 /nfs/dbraw/zinc/29/97/85/497299785.db2.gz YZGNNJONVPJZTK-CYBMUJFWSA-N 1 2 350.438 3.394 20 10 FGCDLO Cc1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2O)c(-n2cc(Cl)cn2)n1 ZINC000190303002 497430267 /nfs/dbraw/zinc/43/02/67/497430267.db2.gz ZAIXFCUUJRWMOZ-UHFFFAOYSA-N 1 2 373.800 3.133 20 10 FGCDLO CCOC(=O)c1cccnc1NC1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000302112347 498409060 /nfs/dbraw/zinc/40/90/60/498409060.db2.gz PYASVZIHVLENRP-UHFFFAOYSA-N 1 2 355.438 3.348 20 10 FGCDLO Cn1cc(C2=CCN(c3ncnc4c3C[N@H+](C)CC4)CC2)c2ccccc21 ZINC000362318255 498495675 /nfs/dbraw/zinc/49/56/75/498495675.db2.gz MSICDPHQFSBAND-UHFFFAOYSA-N 1 2 359.477 3.250 20 10 FGCDLO Cn1cc(C2=CCN(c3ncnc4c3C[N@@H+](C)CC4)CC2)c2ccccc21 ZINC000362318255 498495682 /nfs/dbraw/zinc/49/56/82/498495682.db2.gz MSICDPHQFSBAND-UHFFFAOYSA-N 1 2 359.477 3.250 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)c3cc(Cl)cn3C)CC2)cc1 ZINC000363631524 498914908 /nfs/dbraw/zinc/91/49/08/498914908.db2.gz NYDRAIIEIFGLDS-UHFFFAOYSA-N 1 2 361.873 3.428 20 10 FGCDLO Cc1[nH+]c2ccccc2n1C1CCN(C(=O)c2c(F)ccc(O)c2O)CC1 ZINC000295228380 498949524 /nfs/dbraw/zinc/94/95/24/498949524.db2.gz WOXWSCTYVQSMTC-UHFFFAOYSA-N 1 2 369.396 3.372 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)[C@@H](C)c3c(C)n[nH]c3C)CC2)cc1 ZINC000363722114 498960008 /nfs/dbraw/zinc/96/00/08/498960008.db2.gz JUNYRCXEEYKGFX-AWEZNQCLSA-N 1 2 370.497 3.266 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)c3ncc(C)cc3OC)CC2)cc1 ZINC000372844704 499183447 /nfs/dbraw/zinc/18/34/47/499183447.db2.gz FSUKNASNNVDZGI-UHFFFAOYSA-N 1 2 369.465 3.148 20 10 FGCDLO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000367881713 499241364 /nfs/dbraw/zinc/24/13/64/499241364.db2.gz URVVEJRZBVPLNT-QGZVFWFLSA-N 1 2 367.497 3.099 20 10 FGCDLO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000367881713 499241366 /nfs/dbraw/zinc/24/13/66/499241366.db2.gz URVVEJRZBVPLNT-QGZVFWFLSA-N 1 2 367.497 3.099 20 10 FGCDLO CC[C@H]([NH2+][C@H]1CCN(C(=O)c2cccnc2)C1)c1cccc(Cl)c1O ZINC000367894943 499242756 /nfs/dbraw/zinc/24/27/56/499242756.db2.gz GJKRQGASGDGHQX-YOEHRIQHSA-N 1 2 359.857 3.396 20 10 FGCDLO C[C@@H]([NH2+][C@H]1CCN(C(=O)Cc2ccccc2)C1)c1ccc(F)c(F)c1O ZINC000368488891 499301329 /nfs/dbraw/zinc/30/13/29/499301329.db2.gz UZAFAJRMOHCNDT-HIFRSBDPSA-N 1 2 360.404 3.165 20 10 FGCDLO Cc1nc(CN2CCC[C@H]([NH2+]Cc3cc(Cl)cc(Cl)c3O)C2)no1 ZINC000369271182 499386077 /nfs/dbraw/zinc/38/60/77/499386077.db2.gz OZZRQVFFBYOBDY-ZDUSSCGKSA-N 1 2 371.268 3.145 20 10 FGCDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)NCc1c(O)ccc3c1CCCC3)CCC2 ZINC000372244088 499412313 /nfs/dbraw/zinc/41/23/13/499412313.db2.gz UPBYSTZFZRCFOR-INIZCTEOSA-N 1 2 368.481 3.153 20 10 FGCDLO COc1c(O)c(C[NH2+]Cc2nnc(-c3ccccc3)s2)ccc1[N+](=O)[O-] ZINC000377081887 499660107 /nfs/dbraw/zinc/66/01/07/499660107.db2.gz JNUHIYDUOMLAFZ-UHFFFAOYSA-N 1 2 372.406 3.117 20 10 FGCDLO Cc1c2ccccc2n(C)c1CNc1cccc(CN2CCOCC2)[nH+]1 ZINC000490007745 503089092 /nfs/dbraw/zinc/08/90/92/503089092.db2.gz YAJODSKIIZWQOD-UHFFFAOYSA-N 1 2 350.466 3.326 20 10 FGCDLO COCCn1c(C)c(C)c2cc(C(=O)NCCNc3cccc[nH+]3)ccc21 ZINC000490219198 503134138 /nfs/dbraw/zinc/13/41/38/503134138.db2.gz WKCJLHQGBHFRIB-UHFFFAOYSA-N 1 2 366.465 3.141 20 10 FGCDLO C[C@H]([NH2+][C@@H](CO)CC(F)F)c1cc(Br)cc(Cl)c1O ZINC000760052244 723035665 /nfs/dbraw/zinc/03/56/65/723035665.db2.gz QSRGMVXDYZXUSS-POYBYMJQSA-N 1 2 358.610 3.475 20 10 FGCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@H]2C(=O)OC(C)C)c1 ZINC000781906969 724610423 /nfs/dbraw/zinc/61/04/23/724610423.db2.gz AUJPJVMISVTDHD-AWEZNQCLSA-N 1 2 356.260 3.379 20 10 FGCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@H]2C(=O)OC(C)C)c1 ZINC000781906969 724610424 /nfs/dbraw/zinc/61/04/24/724610424.db2.gz AUJPJVMISVTDHD-AWEZNQCLSA-N 1 2 356.260 3.379 20 10 FGCDLO C[C@H]([NH2+][C@H]1CCCCNC1=O)c1cc(Br)cc(Cl)c1O ZINC000756397559 722963930 /nfs/dbraw/zinc/96/39/30/722963930.db2.gz UTHSQSMFFGWTGO-UFBFGSQYSA-N 1 2 361.667 3.127 20 10 FGCDLO C[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@H]1C)c1cc(Br)c(F)cc1O ZINC000756648166 722968171 /nfs/dbraw/zinc/96/81/71/722968171.db2.gz UOCVIGOKEDZQJW-HFBDOXOYSA-N 1 2 357.267 3.427 20 10 FGCDLO C[C@@H]([NH2+]CCCO[C@@H]1CCOC1)c1cc(Br)c(F)cc1O ZINC000756649055 722968187 /nfs/dbraw/zinc/96/81/87/722968187.db2.gz CKQGSJYMQYHCCU-GHMZBOCLSA-N 1 2 362.239 3.140 20 10 FGCDLO COc1cc(Cl)cc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c1O ZINC000761200867 723132457 /nfs/dbraw/zinc/13/24/57/723132457.db2.gz YCWFEXSTIPGGLG-GFCCVEGCSA-N 1 2 370.877 3.495 20 10 FGCDLO COc1cc(Cl)cc(C[N@H+]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c1O ZINC000761200867 723132461 /nfs/dbraw/zinc/13/24/61/723132461.db2.gz YCWFEXSTIPGGLG-GFCCVEGCSA-N 1 2 370.877 3.495 20 10 FGCDLO COc1c[nH+]ccc1N1CC[NH+](Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000793371618 723431564 /nfs/dbraw/zinc/43/15/64/723431564.db2.gz UTXWIOXLYHERQX-UHFFFAOYSA-N 1 2 368.264 3.425 20 10 FGCDLO C[C@H]1[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2O)CC(=O)N1Cc1ccccc1 ZINC000798966991 723980827 /nfs/dbraw/zinc/98/08/27/723980827.db2.gz MWBHIQXKWNLEEL-SJCJKPOMSA-N 1 2 362.832 3.464 20 10 FGCDLO O=C1C[C@H]([NH2+]Cc2cccc(Cl)c2O)CN1[C@@H]1C[C@H]1c1ccccc1 ZINC000776218122 724120423 /nfs/dbraw/zinc/12/04/23/724120423.db2.gz YOUMIUOSSJYRCI-XYJFISCASA-N 1 2 356.853 3.292 20 10 FGCDLO C[C@H]([NH2+][C@@H](C)[C@H](O)c1ccc2c(c1)OCO2)c1cc(F)cc(F)c1O ZINC000787008965 725012697 /nfs/dbraw/zinc/01/26/97/725012697.db2.gz FDVFVSCIEAOZMU-YMNVWFMLSA-N 1 2 351.349 3.172 20 10 FGCDLO CC[C@H]([NH2+][C@@H](CCSC)C(=O)N(C)OC)c1cccc(Cl)c1O ZINC000806147742 725118141 /nfs/dbraw/zinc/11/81/41/725118141.db2.gz LXZIKGGTQYSVFH-KBPBESRZSA-N 1 2 360.907 3.228 20 10 FGCDLO CC[C@H](O)C[NH2+][C@H](C)c1cc(Br)cc(Br)c1O ZINC000813884642 726920689 /nfs/dbraw/zinc/92/06/89/726920689.db2.gz NDVOYMHDFLHMDR-APPZFPTMSA-N 1 2 367.081 3.339 20 10 FGCDLO Cc1cc(C[NH2+]Cc2cc(Cl)cc(F)c2O)nc(N2CCCC2)n1 ZINC000814178549 726945322 /nfs/dbraw/zinc/94/53/22/726945322.db2.gz UZTVVYHTNNGZIC-UHFFFAOYSA-N 1 2 350.825 3.173 20 10 FGCDLO OC[C@]1(F)C[N@H+](Cc2cc(Cl)cc(F)c2O)C[C@@H]1c1ccccc1 ZINC000824636100 729352188 /nfs/dbraw/zinc/35/21/88/729352188.db2.gz LUTZRTJEJIWGCY-CRAIPNDOSA-N 1 2 353.796 3.485 20 10 FGCDLO OC[C@]1(F)C[N@@H+](Cc2cc(Cl)cc(F)c2O)C[C@@H]1c1ccccc1 ZINC000824636100 729352190 /nfs/dbraw/zinc/35/21/90/729352190.db2.gz LUTZRTJEJIWGCY-CRAIPNDOSA-N 1 2 353.796 3.485 20 10 FGCDLO CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000847572607 731066415 /nfs/dbraw/zinc/06/64/15/731066415.db2.gz MOOYCBKPZLYNIT-NSHDSACASA-N 1 2 366.259 3.105 20 10 FGCDLO CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000847572607 731066418 /nfs/dbraw/zinc/06/64/18/731066418.db2.gz MOOYCBKPZLYNIT-NSHDSACASA-N 1 2 366.259 3.105 20 10 FGCDLO Cc1cncc(CC[NH2+][C@@H](C)c2cc(Br)c(F)cc2O)n1 ZINC000850551236 731371941 /nfs/dbraw/zinc/37/19/41/731371941.db2.gz SRYYMGDRKRPBEV-JTQLQIEISA-N 1 2 354.223 3.286 20 10 FGCDLO COC(=O)C1=CC[C@H]([NH2+][C@H](C)c2cc(Br)cc(F)c2O)C1 ZINC000858471187 732218042 /nfs/dbraw/zinc/21/80/42/732218042.db2.gz BTQSGRHNXFAQNA-KCJUWKMLSA-N 1 2 358.207 3.206 20 10 FGCDLO CN(C)c1cc(F)c(C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)cc1F ZINC000862250126 732798713 /nfs/dbraw/zinc/79/87/13/732798713.db2.gz IWWPEASYABZRNU-OAHLLOKOSA-N 1 2 352.347 3.166 20 10 FGCDLO C[C@](CO)([NH2+]Cc1c(O)ccc(Cl)c1F)c1cccc([N+](=O)[O-])c1 ZINC000865705380 733254985 /nfs/dbraw/zinc/25/49/85/733254985.db2.gz POMCLVCBCGWMDT-MRXNPFEDSA-N 1 2 354.765 3.090 20 10 FGCDLO C[C@](CO)([NH2+]Cc1cc(Cl)cc(F)c1O)c1cccc([N+](=O)[O-])c1 ZINC000877692225 736706234 /nfs/dbraw/zinc/70/62/34/736706234.db2.gz WEDGPXKYRWTNAB-MRXNPFEDSA-N 1 2 354.765 3.090 20 10 FGCDLO O=C1[C@H]([NH2+]Cc2cc(Cl)cc(Br)c2O)C[C@@H]2CCCCN12 ZINC000883140190 737528584 /nfs/dbraw/zinc/52/85/84/737528584.db2.gz LXCDSBFLGFTRDJ-WCQYABFASA-N 1 2 373.678 3.051 20 10 FGCDLO CCc1nnc(C[NH2+]Cc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)s1 ZINC000892622546 740024114 /nfs/dbraw/zinc/02/41/14/740024114.db2.gz QXLGSCOCKXVCKP-STQMWFEESA-N 1 2 364.490 3.143 20 10 FGCDLO CCN(CC)c1ccc(CNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000076078826 493817937 /nfs/dbraw/zinc/81/79/37/493817937.db2.gz HFQOZEOLIZDKST-KRWDZBQOSA-N 1 2 355.486 3.345 20 10 FGCDLO CCN(CC)c1ccc(CNC(=O)N2CCC(n3cc[nH+]c3)CC2)cc1F ZINC000066978914 494450412 /nfs/dbraw/zinc/45/04/12/494450412.db2.gz YCESQNGUJJVCSI-UHFFFAOYSA-N 1 2 373.476 3.415 20 10 FGCDLO CN(Cc1ccccc1O)C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000045878509 494472230 /nfs/dbraw/zinc/47/22/30/494472230.db2.gz UVRUAQLLWSGOHM-UHFFFAOYSA-N 1 2 354.454 3.119 20 10 FGCDLO C[C@@H](O)CC[NH2+][C@H](C)c1cc(Br)cc(Br)c1O ZINC000185456172 495584145 /nfs/dbraw/zinc/58/41/45/495584145.db2.gz UIEFRAGCGVPODT-HTQZYQBOSA-N 1 2 367.081 3.339 20 10 FGCDLO C[C@@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1cc(Br)cc(F)c1O ZINC000186115325 495860520 /nfs/dbraw/zinc/86/05/20/495860520.db2.gz NWKACFJPRJFUTK-LDYMZIIASA-N 1 2 354.223 3.225 20 10 FGCDLO CC1CCN(c2ccc(CNC(=O)/C=C/c3ccc(O)c(O)c3)c[nH+]2)CC1 ZINC000180665407 496093844 /nfs/dbraw/zinc/09/38/44/496093844.db2.gz URRXNVMVDMVXJZ-QPJJXVBHSA-N 1 2 367.449 3.059 20 10 FGCDLO C[C@@H]1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C[C@H]1n1cc[nH+]c1 ZINC000153847348 496600284 /nfs/dbraw/zinc/60/02/84/496600284.db2.gz LYDUNBWGVIWYPY-YLJYHZDGSA-N 1 2 365.481 3.052 20 10 FGCDLO C[C@H]([NH2+][C@H](c1nccn1C)C1CCOCC1)c1ccc(F)c(F)c1O ZINC000284740819 497885560 /nfs/dbraw/zinc/88/55/60/497885560.db2.gz FCNSVVBPTBMYKY-ZBEGNZNMSA-N 1 2 351.397 3.222 20 10 FGCDLO C[C@H]([NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O)c1ccc(F)c(F)c1O ZINC000364499287 497988463 /nfs/dbraw/zinc/98/84/63/497988463.db2.gz BZALQKHXWSKLCK-ZBEGNZNMSA-N 1 2 364.367 3.261 20 10 FGCDLO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O)c1ccc(F)c(F)c1O ZINC000364499284 497988591 /nfs/dbraw/zinc/98/85/91/497988591.db2.gz BZALQKHXWSKLCK-BDJLRTHQSA-N 1 2 364.367 3.261 20 10 FGCDLO COc1ccc([NH+]2CCC(Nc3nc4sccn4c3[N+](=O)[O-])CC2)cc1 ZINC000301194255 497994114 /nfs/dbraw/zinc/99/41/14/497994114.db2.gz SYRUYROVMCECDZ-UHFFFAOYSA-N 1 2 373.438 3.394 20 10 FGCDLO COc1cccc(-n2cc(C[NH2+][C@@H](C)c3ccc(F)c(F)c3O)nn2)c1 ZINC000364794153 498146009 /nfs/dbraw/zinc/14/60/09/498146009.db2.gz QZSRLSPYDSMARH-NSHDSACASA-N 1 2 360.364 3.111 20 10 FGCDLO COc1c(O)c(C[NH2+][C@H]2c3ccccc3CC[C@@H]2N(C)C)ccc1[N+](=O)[O-] ZINC000365324094 498405862 /nfs/dbraw/zinc/40/58/62/498405862.db2.gz MSEMCWRKAPFPQR-WMZOPIPTSA-N 1 2 371.437 3.016 20 10 FGCDLO COc1c(O)c(CN[C@H]2c3ccccc3CC[C@@H]2[NH+](C)C)ccc1[N+](=O)[O-] ZINC000365324094 498405867 /nfs/dbraw/zinc/40/58/67/498405867.db2.gz MSEMCWRKAPFPQR-WMZOPIPTSA-N 1 2 371.437 3.016 20 10 FGCDLO COc1cc[nH+]cc1CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000297360706 498419378 /nfs/dbraw/zinc/41/93/78/498419378.db2.gz OTTUKCVCQHWVTH-UHFFFAOYSA-N 1 2 354.454 3.030 20 10 FGCDLO CCOCc1nc([C@@H](C)[NH2+][C@@H](C)c2ccc(Br)cc2O)no1 ZINC000290279562 498494557 /nfs/dbraw/zinc/49/45/57/498494557.db2.gz XAOSWAPZTFHMGJ-VHSXEESVSA-N 1 2 370.247 3.486 20 10 FGCDLO Nc1[nH+]cnc(N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1Cl ZINC000302899991 498621186 /nfs/dbraw/zinc/62/11/86/498621186.db2.gz QHXBWJJNMBPDNI-SNVBAGLBSA-N 1 2 369.803 3.395 20 10 FGCDLO Nc1nc[nH+]c(N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1Cl ZINC000302899991 498621190 /nfs/dbraw/zinc/62/11/90/498621190.db2.gz QHXBWJJNMBPDNI-SNVBAGLBSA-N 1 2 369.803 3.395 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)CCc3ccccn3)CC2)cc1 ZINC000363204766 498701453 /nfs/dbraw/zinc/70/14/53/498701453.db2.gz HMDCJJYAJGKJSL-UHFFFAOYSA-N 1 2 353.466 3.150 20 10 FGCDLO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Cc1cn2ccccc2[nH+]1 ZINC000298310926 498730351 /nfs/dbraw/zinc/73/03/51/498730351.db2.gz CQPDFJVXMXCHAQ-UHFFFAOYSA-N 1 2 350.466 3.380 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)[C@@H]3CC3(Cl)Cl)CC2)cc1 ZINC000363650569 498925298 /nfs/dbraw/zinc/92/52/98/498925298.db2.gz GFXVTVLSKJQHDC-HNNXBMFYSA-N 1 2 357.281 3.316 20 10 FGCDLO COC1CCN(c2ccc(C[N@@H+]3CCOC[C@@H]3CC(F)F)cc2)CC1 ZINC000295162478 498929953 /nfs/dbraw/zinc/92/99/53/498929953.db2.gz HBTVZNUNPIJDLT-KRWDZBQOSA-N 1 2 354.441 3.158 20 10 FGCDLO COC1CCN(c2ccc(C[N@H+]3CCOC[C@@H]3CC(F)F)cc2)CC1 ZINC000295162478 498929960 /nfs/dbraw/zinc/92/99/60/498929960.db2.gz HBTVZNUNPIJDLT-KRWDZBQOSA-N 1 2 354.441 3.158 20 10 FGCDLO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCc3cn[nH]c3C2)c1O ZINC000372497483 499134739 /nfs/dbraw/zinc/13/47/39/499134739.db2.gz QGVOAZOZNNAPDP-GXFFZTMASA-N 1 2 350.260 3.394 20 10 FGCDLO CC[C@H]([NH2+][C@@H]1CCN(C(=O)c2ccncc2)C1)c1cccc(Cl)c1O ZINC000367897043 499242941 /nfs/dbraw/zinc/24/29/41/499242941.db2.gz QOQCJQDHLJZAAX-PBHICJAKSA-N 1 2 359.857 3.396 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)NCc3ncccc3C)CC2)cc1 ZINC000369037317 499359040 /nfs/dbraw/zinc/35/90/40/499359040.db2.gz WNSCVWGJDSKEDL-UHFFFAOYSA-N 1 2 368.481 3.209 20 10 FGCDLO CCCOc1ccc(C[N@@H+]2CCO[C@H](c3nnc(C(C)C)o3)C2)c(O)c1 ZINC000373495908 499473137 /nfs/dbraw/zinc/47/31/37/499473137.db2.gz NZVDTVQBZSXREF-KRWDZBQOSA-N 1 2 361.442 3.261 20 10 FGCDLO CCCOc1ccc(C[N@H+]2CCO[C@H](c3nnc(C(C)C)o3)C2)c(O)c1 ZINC000373495908 499473138 /nfs/dbraw/zinc/47/31/38/499473138.db2.gz NZVDTVQBZSXREF-KRWDZBQOSA-N 1 2 361.442 3.261 20 10 FGCDLO Oc1c(F)cccc1C[N@@H+]1CCCC[C@H]1c1nc(-c2ncccn2)no1 ZINC000376167218 499588417 /nfs/dbraw/zinc/58/84/17/499588417.db2.gz PBHMHETZRDIPDT-AWEZNQCLSA-N 1 2 355.373 3.099 20 10 FGCDLO Oc1c(F)cccc1C[N@H+]1CCCC[C@H]1c1nc(-c2ncccn2)no1 ZINC000376167218 499588419 /nfs/dbraw/zinc/58/84/19/499588419.db2.gz PBHMHETZRDIPDT-AWEZNQCLSA-N 1 2 355.373 3.099 20 10 FGCDLO COC[C@@]1([NH2+]Cc2cc(Cl)cc(F)c2O)COc2ccccc2C1 ZINC000529667710 504756227 /nfs/dbraw/zinc/75/62/27/504756227.db2.gz CNRRRNLIWMDAPT-GOSISDBHSA-N 1 2 351.805 3.295 20 10 FGCDLO Oc1cccc(N2CC[NH+](Cc3cccc(Br)c3O)CC2)c1 ZINC000121644353 700677050 /nfs/dbraw/zinc/67/70/50/700677050.db2.gz DPFPXZBIQBRBOH-UHFFFAOYSA-N 1 2 363.255 3.183 20 10 FGCDLO Oc1c(Br)cccc1C[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000129473772 700788493 /nfs/dbraw/zinc/78/84/93/700788493.db2.gz PJPQZGGNXHSJFI-UHFFFAOYSA-N 1 2 367.209 3.225 20 10 FGCDLO CC(=O)c1cc(F)cc(C[NH+]2CCN(c3nc(C)c(C)s3)CC2)c1O ZINC000157638390 705159840 /nfs/dbraw/zinc/15/98/40/705159840.db2.gz OYALSAURXDTMMK-UHFFFAOYSA-N 1 2 363.458 3.129 20 10 FGCDLO C[C@H]([NH2+][C@@H]1CCn2ccnc2C1)c1cc(Br)c(F)cc1O ZINC000779064265 724386756 /nfs/dbraw/zinc/38/67/56/724386756.db2.gz HXFCXOCRJZDOTA-VHSXEESVSA-N 1 2 354.223 3.156 20 10 FGCDLO C[C@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1cc(Br)c(F)cc1O ZINC000756762463 722969723 /nfs/dbraw/zinc/96/97/23/722969723.db2.gz WYZGVAUDSSRBTF-WPRPVWTQSA-N 1 2 354.223 3.225 20 10 FGCDLO Cc1cc(N(C)C)ccc1C[NH2+]Cc1c(Cl)cccc1S(C)(=O)=O ZINC000758310608 722987913 /nfs/dbraw/zinc/98/79/13/722987913.db2.gz QJACLBJJAFVJML-UHFFFAOYSA-N 1 2 366.914 3.408 20 10 FGCDLO O=C(NCc1cccc(Br)c1O)Nc1ccc2[nH+]ccn2c1 ZINC000765292314 723503193 /nfs/dbraw/zinc/50/31/93/723503193.db2.gz DOFAOQZKPKQZJD-UHFFFAOYSA-N 1 2 361.199 3.124 20 10 FGCDLO CC(=O)N1CCC[C@@H](C[NH2+][C@@H](C)c2cc(Br)c(F)cc2O)C1 ZINC000794836048 723548384 /nfs/dbraw/zinc/54/83/84/723548384.db2.gz RKCPKUYWUOMNSD-JQWIXIFHSA-N 1 2 373.266 3.203 20 10 FGCDLO Cc1cc(Br)cc(C[N@@H+]2CCO[C@H](COC(C)C)C2)c1O ZINC000770687156 723719082 /nfs/dbraw/zinc/71/90/82/723719082.db2.gz CUYXDEMYENGBPQ-HNNXBMFYSA-N 1 2 358.276 3.089 20 10 FGCDLO Cc1cc(Br)cc(C[N@H+]2CCO[C@H](COC(C)C)C2)c1O ZINC000770687156 723719083 /nfs/dbraw/zinc/71/90/83/723719083.db2.gz CUYXDEMYENGBPQ-HNNXBMFYSA-N 1 2 358.276 3.089 20 10 FGCDLO CCc1nnc([C@H](C)[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2Cl)[nH]1 ZINC000773136124 723777455 /nfs/dbraw/zinc/77/74/55/723777455.db2.gz FSMNAVRPNNIUDN-OLZOCXBDSA-N 1 2 363.893 3.269 20 10 FGCDLO COC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2cccc(Br)c2O)C1 ZINC000775346236 723984108 /nfs/dbraw/zinc/98/41/08/723984108.db2.gz KXWGXCPHUHPBDN-AAEUAGOBSA-N 1 2 371.275 3.111 20 10 FGCDLO OC[C@@]1([NH2+]Cc2cccc(Cl)c2O)CCCN(Cc2ccccc2)C1 ZINC000776175844 724116135 /nfs/dbraw/zinc/11/61/35/724116135.db2.gz VPPHUPVQJTWDJW-HXUWFJFHSA-N 1 2 360.885 3.162 20 10 FGCDLO O=C1C[C@H]([NH2+]Cc2cccc(Cl)c2O)CN1[C@H]1C[C@@H]1c1ccccc1 ZINC000776218120 724120178 /nfs/dbraw/zinc/12/01/78/724120178.db2.gz YOUMIUOSSJYRCI-JZXOWHBKSA-N 1 2 356.853 3.292 20 10 FGCDLO CC[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1)c1cccc(Cl)c1O ZINC000806135231 725117557 /nfs/dbraw/zinc/11/75/57/725117557.db2.gz RLNVOUQSHOYTIV-INIZCTEOSA-N 1 2 368.886 3.065 20 10 FGCDLO CCC[N@H+](CCN1CCCCC1)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000809704984 725260662 /nfs/dbraw/zinc/26/06/62/725260662.db2.gz KFLNHQIBBLWKSI-UHFFFAOYSA-N 1 2 351.447 3.007 20 10 FGCDLO CCC[N@@H+](CCN1CCCCC1)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000809704984 725260664 /nfs/dbraw/zinc/26/06/64/725260664.db2.gz KFLNHQIBBLWKSI-UHFFFAOYSA-N 1 2 351.447 3.007 20 10 FGCDLO C[N@H+](Cc1cccc(Br)c1O)C1CN(C(=O)OC(C)(C)C)C1 ZINC000811515024 725372005 /nfs/dbraw/zinc/37/20/05/725372005.db2.gz LGCBWLMBOMXOCF-UHFFFAOYSA-N 1 2 371.275 3.206 20 10 FGCDLO C[N@@H+](Cc1cccc(Br)c1O)C1CN(C(=O)OC(C)(C)C)C1 ZINC000811515024 725372006 /nfs/dbraw/zinc/37/20/06/725372006.db2.gz LGCBWLMBOMXOCF-UHFFFAOYSA-N 1 2 371.275 3.206 20 10 FGCDLO C[C@H](NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000822081627 729146019 /nfs/dbraw/zinc/14/60/19/729146019.db2.gz GFEIZYYHNHHZNW-SWLSCSKDSA-N 1 2 354.376 3.320 20 10 FGCDLO CC[C@@H](CO)[N@H+](C)Cc1cc(Br)cc(Br)c1O ZINC000824534014 729345964 /nfs/dbraw/zinc/34/59/64/729345964.db2.gz XDJZAXGTZAIVAU-JTQLQIEISA-N 1 2 367.081 3.120 20 10 FGCDLO CC[C@@H](CO)[N@@H+](C)Cc1cc(Br)cc(Br)c1O ZINC000824534014 729345965 /nfs/dbraw/zinc/34/59/65/729345965.db2.gz XDJZAXGTZAIVAU-JTQLQIEISA-N 1 2 367.081 3.120 20 10 FGCDLO CN(C)c1ccc(C[NH2+][C@@H](CCNC(=O)OC(C)(C)C)C(F)F)cc1 ZINC000824672438 729354150 /nfs/dbraw/zinc/35/41/50/729354150.db2.gz BPLSOKWJHUNVHW-HNNXBMFYSA-N 1 2 357.445 3.391 20 10 FGCDLO C[C@H]([NH2+][C@@H]1C[C@H]2CCCCN2C1=O)c1cc(Br)cc(F)c1O ZINC000834916362 729846060 /nfs/dbraw/zinc/84/60/60/729846060.db2.gz WOTJIKNSZRCPOS-DRCTWCGVSA-N 1 2 371.250 3.098 20 10 FGCDLO C[C@@H]([NH2+][C@@H](COC(N)=O)Cc1ccccc1)c1cc(F)cc(F)c1O ZINC000840864920 730185149 /nfs/dbraw/zinc/18/51/49/730185149.db2.gz RLQNMXREPRTJOZ-BXUZGUMPSA-N 1 2 350.365 3.442 20 10 FGCDLO Cc1cc(O)c(C[NH+]2CCN(C(=O)c3ccc(O)cc3)CC2)c(Cl)c1 ZINC000840910895 730190262 /nfs/dbraw/zinc/19/02/62/730190262.db2.gz OMLUSVCQTCDLPA-UHFFFAOYSA-N 1 2 360.841 3.018 20 10 FGCDLO CNC(=O)[C@H](C[NH2+]Cc1cccc(Cl)c1O)Cc1ccc(F)cc1C ZINC000843414438 730617491 /nfs/dbraw/zinc/61/74/91/730617491.db2.gz DRXKTKIOVILGQK-HNNXBMFYSA-N 1 2 364.848 3.188 20 10 FGCDLO COc1cc(Br)cc(C[N@@H+]2CCOC[C@@H]2C2CCC2)c1O ZINC000843428771 730619773 /nfs/dbraw/zinc/61/97/73/730619773.db2.gz NBAGBILWRKQURO-CQSZACIVSA-N 1 2 356.260 3.164 20 10 FGCDLO COc1cc(Br)cc(C[N@H+]2CCOC[C@@H]2C2CCC2)c1O ZINC000843428771 730619775 /nfs/dbraw/zinc/61/97/75/730619775.db2.gz NBAGBILWRKQURO-CQSZACIVSA-N 1 2 356.260 3.164 20 10 FGCDLO COc1cc(Br)cc(C[N@@H+]2CCOC[C@H]2C2CCC2)c1O ZINC000843428767 730619905 /nfs/dbraw/zinc/61/99/05/730619905.db2.gz NBAGBILWRKQURO-AWEZNQCLSA-N 1 2 356.260 3.164 20 10 FGCDLO COc1cc(Br)cc(C[N@H+]2CCOC[C@H]2C2CCC2)c1O ZINC000843428767 730619908 /nfs/dbraw/zinc/61/99/08/730619908.db2.gz NBAGBILWRKQURO-AWEZNQCLSA-N 1 2 356.260 3.164 20 10 FGCDLO CC(=O)N(c1nc(C[NH2+]Cc2cc(Cl)ccc2O)cs1)C1CC1 ZINC000846057765 730924187 /nfs/dbraw/zinc/92/41/87/730924187.db2.gz ITSAXIQEIYCXCA-UHFFFAOYSA-N 1 2 351.859 3.307 20 10 FGCDLO Oc1cccc(Br)c1CN1CC[NH+](Cc2ccco2)CC1 ZINC000862217045 732787842 /nfs/dbraw/zinc/78/78/42/732787842.db2.gz TXUOIZSZWBQICK-UHFFFAOYSA-N 1 2 351.244 3.066 20 10 FGCDLO Oc1cccc(Br)c1C[NH+]1CCN(Cc2ccco2)CC1 ZINC000862217045 732787847 /nfs/dbraw/zinc/78/78/47/732787847.db2.gz TXUOIZSZWBQICK-UHFFFAOYSA-N 1 2 351.244 3.066 20 10 FGCDLO CN(C)c1cc(F)c(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1F ZINC000862233037 732791536 /nfs/dbraw/zinc/79/15/36/732791536.db2.gz PUEIGPZESFQNJC-ZDUSSCGKSA-N 1 2 355.429 3.130 20 10 FGCDLO CN(C)c1cc(F)c(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1F ZINC000862233037 732791539 /nfs/dbraw/zinc/79/15/39/732791539.db2.gz PUEIGPZESFQNJC-ZDUSSCGKSA-N 1 2 355.429 3.130 20 10 FGCDLO Cn1cc([C@H]2CSCC[N@H+]2Cc2c(O)cccc2Br)cn1 ZINC000862342772 732812046 /nfs/dbraw/zinc/81/20/46/732812046.db2.gz MUWLTDBJMRGJTJ-CQSZACIVSA-N 1 2 368.300 3.178 20 10 FGCDLO COC(=O)[C@@H]1C[N@H+](Cc2cccc(Cl)c2O)C[C@H]1c1ccc(O)cc1 ZINC000862497670 732841899 /nfs/dbraw/zinc/84/18/99/732841899.db2.gz ZRAHMUDRLFJAAO-JKSUJKDBSA-N 1 2 361.825 3.140 20 10 FGCDLO COC(=O)[C@@H]1C[N@@H+](Cc2cccc(Cl)c2O)C[C@H]1c1ccc(O)cc1 ZINC000862497670 732841902 /nfs/dbraw/zinc/84/19/02/732841902.db2.gz ZRAHMUDRLFJAAO-JKSUJKDBSA-N 1 2 361.825 3.140 20 10 FGCDLO Cc1ccc(O)c(CNC(=O)CSCc2cn3cc(C)ccc3[nH+]2)c1 ZINC000862759184 732872874 /nfs/dbraw/zinc/87/28/74/732872874.db2.gz ALPFPBCRAZCXFK-UHFFFAOYSA-N 1 2 355.463 3.206 20 10 FGCDLO Cc1ccc(S(=O)(=O)C2CC[NH+](Cc3cc(F)ccc3O)CC2)cc1 ZINC000877778809 736718739 /nfs/dbraw/zinc/71/87/39/736718739.db2.gz CJJMWCOXGHDFDM-UHFFFAOYSA-N 1 2 363.454 3.278 20 10 FGCDLO CC(C)c1nnc(C[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)s1 ZINC000894843000 742341791 /nfs/dbraw/zinc/34/17/91/742341791.db2.gz GLQPJWVORBDDEP-UHFFFAOYSA-N 1 2 368.453 3.066 20 10 FGCDLO CCOC(=O)C1([C@@H](C)[NH2+]Cc2cc(Cl)cc(F)c2O)CCOCC1 ZINC000897743089 742709978 /nfs/dbraw/zinc/70/99/78/742709978.db2.gz RGDFJWJDHKBLOU-LLVKDONJSA-N 1 2 359.825 3.023 20 10 FGCDLO CC(C)[C@H]([NH2+][C@@H](C)c1cc(Br)cc(F)c1O)c1nncn1C ZINC000903063925 743800754 /nfs/dbraw/zinc/80/07/54/743800754.db2.gz JELIZOZOPHVUKO-ZANVPECISA-N 1 2 371.254 3.470 20 10 FGCDLO Oc1c(Br)cc(Cl)cc1C[NH2+]CCOC1CCOCC1 ZINC000922928406 759030464 /nfs/dbraw/zinc/03/04/64/759030464.db2.gz QAJNSFBAYILJDY-UHFFFAOYSA-N 1 2 364.667 3.093 20 10 FGCDLO COc1cc(Br)cc(C[N@@H+]2CCO[C@@H](c3ccco3)C2)c1O ZINC000093841249 494925637 /nfs/dbraw/zinc/92/56/37/494925637.db2.gz YRSGDOXEZJILPF-OAHLLOKOSA-N 1 2 368.227 3.330 20 10 FGCDLO COc1cc(Br)cc(C[N@H+]2CCO[C@@H](c3ccco3)C2)c1O ZINC000093841249 494925641 /nfs/dbraw/zinc/92/56/41/494925641.db2.gz YRSGDOXEZJILPF-OAHLLOKOSA-N 1 2 368.227 3.330 20 10 FGCDLO C[C@@H](O)CC[NH2+][C@@H](C)c1cc(Br)cc(Br)c1O ZINC000185456138 495584648 /nfs/dbraw/zinc/58/46/48/495584648.db2.gz UIEFRAGCGVPODT-SFYZADRCSA-N 1 2 367.081 3.339 20 10 FGCDLO c1csc([C@@H]2CSCC[N@H+]2Cc2ccc(N3CCOCC3)cc2)n1 ZINC000186649575 496090276 /nfs/dbraw/zinc/09/02/76/496090276.db2.gz IHMFDYVHXITHTA-KRWDZBQOSA-N 1 2 361.536 3.270 20 10 FGCDLO c1csc([C@@H]2CSCC[N@@H+]2Cc2ccc(N3CCOCC3)cc2)n1 ZINC000186649575 496090278 /nfs/dbraw/zinc/09/02/78/496090278.db2.gz IHMFDYVHXITHTA-KRWDZBQOSA-N 1 2 361.536 3.270 20 10 FGCDLO O=C(/C=C/c1ccc(O)c(O)c1)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000181053869 496254924 /nfs/dbraw/zinc/25/49/24/496254924.db2.gz VFHGERXKELXYFI-SOFGYWHQSA-N 1 2 367.449 3.203 20 10 FGCDLO COc1cc(OC)cc([C@H](O)C[NH2+][C@H](C)c2ccc(F)c(F)c2O)c1 ZINC000187725933 496547978 /nfs/dbraw/zinc/54/79/78/496547978.db2.gz JLTMGMMDYCGQGR-QLJPJBMISA-N 1 2 353.365 3.072 20 10 FGCDLO C[C@H]([NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(F)c(F)c1O ZINC000187808266 496579895 /nfs/dbraw/zinc/57/98/95/496579895.db2.gz YNCPCEQZUBVJLU-DZGCQCFKSA-N 1 2 360.404 3.370 20 10 FGCDLO Cc1nnc([C@H](C)[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)s1 ZINC000274175544 497032788 /nfs/dbraw/zinc/03/27/88/497032788.db2.gz IDWHUJFZOXERPV-NEPJUHHUSA-N 1 2 350.463 3.234 20 10 FGCDLO COc1c(O)c(C[NH2+][C@@H](COCC(C)C)c2ccco2)ccc1[N+](=O)[O-] ZINC000278568131 497154647 /nfs/dbraw/zinc/15/46/47/497154647.db2.gz CFNQFAMAWGIXAC-AWEZNQCLSA-N 1 2 364.398 3.406 20 10 FGCDLO CO[C@H]1C[C@H](c2nc(C)no2)[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000190147254 497376097 /nfs/dbraw/zinc/37/60/97/497376097.db2.gz UJPJZVIKEDHWND-RBUKOAKNSA-N 1 2 356.470 3.330 20 10 FGCDLO CO[C@H]1C[C@H](c2nc(C)no2)[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000190147254 497376101 /nfs/dbraw/zinc/37/61/01/497376101.db2.gz UJPJZVIKEDHWND-RBUKOAKNSA-N 1 2 356.470 3.330 20 10 FGCDLO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccc(F)c(F)c1O ZINC000191209985 497744851 /nfs/dbraw/zinc/74/48/51/497744851.db2.gz FXCMBNNNKXBLRU-GFCCVEGCSA-N 1 2 366.383 3.497 20 10 FGCDLO OCC1CCN(c2ccc(CNc3cc(NCC4CC4)[nH+]cn3)cc2)CC1 ZINC000301261184 498026052 /nfs/dbraw/zinc/02/60/52/498026052.db2.gz DBEPGZUIHNJWSQ-UHFFFAOYSA-N 1 2 367.497 3.119 20 10 FGCDLO OCC1CCN(c2ccc(CNc3cc(NCC4CC4)nc[nH+]3)cc2)CC1 ZINC000301261184 498026057 /nfs/dbraw/zinc/02/60/57/498026057.db2.gz DBEPGZUIHNJWSQ-UHFFFAOYSA-N 1 2 367.497 3.119 20 10 FGCDLO C[C@@H](Nc1cc(NCC2CC2)[nH+]cn1)c1ccc(N2CCOCC2)cc1 ZINC000301831415 498284079 /nfs/dbraw/zinc/28/40/79/498284079.db2.gz QPDFYGWPAHIILX-OAHLLOKOSA-N 1 2 353.470 3.308 20 10 FGCDLO C[C@@H](Nc1cc(NCC2CC2)nc[nH+]1)c1ccc(N2CCOCC2)cc1 ZINC000301831415 498284082 /nfs/dbraw/zinc/28/40/82/498284082.db2.gz QPDFYGWPAHIILX-OAHLLOKOSA-N 1 2 353.470 3.308 20 10 FGCDLO CN(C)c1ccc(CN(C)C(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)cc1 ZINC000361598365 498410977 /nfs/dbraw/zinc/41/09/77/498410977.db2.gz XCOKVIQZVZAAGX-GOSISDBHSA-N 1 2 352.482 3.023 20 10 FGCDLO CCn1cnnc1[C@@H]1C[N@@H+]([C@H](C)c2cc(Cl)c(Cl)cc2O)CCO1 ZINC000365525717 498513498 /nfs/dbraw/zinc/51/34/98/498513498.db2.gz DHTKULJIYSMUKM-BMIGLBTASA-N 1 2 371.268 3.445 20 10 FGCDLO CCn1cnnc1[C@@H]1C[N@H+]([C@H](C)c2cc(Cl)c(Cl)cc2O)CCO1 ZINC000365525717 498513502 /nfs/dbraw/zinc/51/35/02/498513502.db2.gz DHTKULJIYSMUKM-BMIGLBTASA-N 1 2 371.268 3.445 20 10 FGCDLO Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000365820897 498655732 /nfs/dbraw/zinc/65/57/32/498655732.db2.gz OQMHWEMHGFPQKD-LLVKDONJSA-N 1 2 350.806 3.067 20 10 FGCDLO Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000365820897 498655736 /nfs/dbraw/zinc/65/57/36/498655736.db2.gz OQMHWEMHGFPQKD-LLVKDONJSA-N 1 2 350.806 3.067 20 10 FGCDLO CN(C)c1ccc(CN(C(=O)NCc2ccc(N(C)C)[nH+]c2)C2CC2)cc1 ZINC000298853538 498898168 /nfs/dbraw/zinc/89/81/68/498898168.db2.gz AFZVFNJIWJOUKK-UHFFFAOYSA-N 1 2 367.497 3.088 20 10 FGCDLO COC1CCN(c2ccc(C[N@H+](C)Cc3nncn3C(C)C)cc2)CC1 ZINC000295262732 498960034 /nfs/dbraw/zinc/96/00/34/498960034.db2.gz YGAOPBHQVUMRJZ-UHFFFAOYSA-N 1 2 357.502 3.106 20 10 FGCDLO COC1CCN(c2ccc(C[N@@H+](C)Cc3nncn3C(C)C)cc2)CC1 ZINC000295262732 498960040 /nfs/dbraw/zinc/96/00/40/498960040.db2.gz YGAOPBHQVUMRJZ-UHFFFAOYSA-N 1 2 357.502 3.106 20 10 FGCDLO C[C@@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1)c1ccc(Cl)c(Cl)c1O ZINC000363864151 499030703 /nfs/dbraw/zinc/03/07/03/499030703.db2.gz CLKFERKNXQIIRH-GHMZBOCLSA-N 1 2 355.269 3.362 20 10 FGCDLO COc1cccc(C[N@@H+]2CCCC[C@H]2c2nnc([C@H]3CCCO3)o2)c1O ZINC000370665449 499241901 /nfs/dbraw/zinc/24/19/01/499241901.db2.gz BRAOUDVHLHKMBO-GOEBONIOSA-N 1 2 359.426 3.363 20 10 FGCDLO COc1cccc(C[N@H+]2CCCC[C@H]2c2nnc([C@H]3CCCO3)o2)c1O ZINC000370665449 499241903 /nfs/dbraw/zinc/24/19/03/499241903.db2.gz BRAOUDVHLHKMBO-GOEBONIOSA-N 1 2 359.426 3.363 20 10 FGCDLO C[C@H]([NH2+][C@H]1CCN(C(=O)Cc2ccccc2)C1)c1ccc(F)c(F)c1O ZINC000368488893 499301171 /nfs/dbraw/zinc/30/11/71/499301171.db2.gz UZAFAJRMOHCNDT-ZFWWWQNUSA-N 1 2 360.404 3.165 20 10 FGCDLO Cc1c2ccccc2n(C)c1CNc1[nH+]cnc2c1cnn2-c1ncccn1 ZINC000479161042 502180715 /nfs/dbraw/zinc/18/07/15/502180715.db2.gz SSOLTRIDWHTAIH-UHFFFAOYSA-N 1 2 370.420 3.018 20 10 FGCDLO COc1cc(O)c(C[N@@H+]2CCc3nc(C(C)(C)C)ncc3C2)cc1OC ZINC000529640259 504750473 /nfs/dbraw/zinc/75/04/73/504750473.db2.gz HPZIPQRZLTWBQC-UHFFFAOYSA-N 1 2 357.454 3.055 20 10 FGCDLO COc1cc(O)c(C[N@H+]2CCc3nc(C(C)(C)C)ncc3C2)cc1OC ZINC000529640259 504750477 /nfs/dbraw/zinc/75/04/77/504750477.db2.gz HPZIPQRZLTWBQC-UHFFFAOYSA-N 1 2 357.454 3.055 20 10 FGCDLO Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000553803262 505016522 /nfs/dbraw/zinc/01/65/22/505016522.db2.gz YMKIQLKAAGFZNL-GOSISDBHSA-N 1 2 351.454 3.171 20 10 FGCDLO COC(=O)c1sccc1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000088490919 700379065 /nfs/dbraw/zinc/37/90/65/700379065.db2.gz NTFUCYHLXCKQDA-UHFFFAOYSA-N 1 2 360.479 3.003 20 10 FGCDLO COC(=O)c1sccc1C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000088490919 700379069 /nfs/dbraw/zinc/37/90/69/700379069.db2.gz NTFUCYHLXCKQDA-UHFFFAOYSA-N 1 2 360.479 3.003 20 10 FGCDLO CC(C)S(=O)(=O)CCC[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000120474024 700655148 /nfs/dbraw/zinc/65/51/48/700655148.db2.gz VCNPBDDOTGKQNT-UHFFFAOYSA-N 1 2 351.468 3.201 20 10 FGCDLO CC(C)S(=O)(=O)CCC[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000120474024 700655150 /nfs/dbraw/zinc/65/51/50/700655150.db2.gz VCNPBDDOTGKQNT-UHFFFAOYSA-N 1 2 351.468 3.201 20 10 FGCDLO CN(C)c1ccc(C[NH+]2CCN(Cc3ccc(Cl)nc3)CC2)cc1F ZINC000128313980 700773333 /nfs/dbraw/zinc/77/33/33/700773333.db2.gz ILXQNQPJWVOHCY-UHFFFAOYSA-N 1 2 362.880 3.258 20 10 FGCDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)Cc2ccc(N)cc2)CC1 ZINC000178822312 705677266 /nfs/dbraw/zinc/67/72/66/705677266.db2.gz MUNLXYRKHYNPNU-OAHLLOKOSA-N 1 2 357.885 3.370 20 10 FGCDLO CC(C)(C)OC(=O)NC1CC([NH2+]Cc2cccc(Br)c2O)C1 ZINC000227580946 713573415 /nfs/dbraw/zinc/57/34/15/713573415.db2.gz PXDIHMGEMIJZSS-UHFFFAOYSA-N 1 2 371.275 3.300 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)c1O ZINC000750058881 722753376 /nfs/dbraw/zinc/75/33/76/722753376.db2.gz ZLVHKLODGUJQIZ-GFCCVEGCSA-N 1 2 353.846 3.412 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)c1O ZINC000750058881 722753378 /nfs/dbraw/zinc/75/33/78/722753378.db2.gz ZLVHKLODGUJQIZ-GFCCVEGCSA-N 1 2 353.846 3.412 20 10 FGCDLO C[C@@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)c1cc(F)cc(F)c1O ZINC000756509297 722965897 /nfs/dbraw/zinc/96/58/97/722965897.db2.gz AFFZGRQCNPNCMI-LLVKDONJSA-N 1 2 355.406 3.066 20 10 FGCDLO C[C@H]([NH2+]CC1(N2CCCCC2)CCOCC1)c1cc(F)cc(F)c1O ZINC000756706371 722968868 /nfs/dbraw/zinc/96/88/68/722968868.db2.gz PHTHXGNPXLFGFL-AWEZNQCLSA-N 1 2 354.441 3.356 20 10 FGCDLO C[C@@H]([NH2+][C@H](CO)CC(F)(F)F)c1cc(Br)cc(F)c1O ZINC000756775541 722969921 /nfs/dbraw/zinc/96/99/21/722969921.db2.gz ITGTYGXYQSUPCW-SVRRBLITSA-N 1 2 360.145 3.258 20 10 FGCDLO Cc1cc(Br)c(O)c(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)c1 ZINC000790933213 723195573 /nfs/dbraw/zinc/19/55/73/723195573.db2.gz YJUOHSRURLDJCD-DCGLDWPTSA-N 1 2 370.287 3.231 20 10 FGCDLO Cc1cc(Br)c(O)c(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)c1 ZINC000790933213 723195576 /nfs/dbraw/zinc/19/55/76/723195576.db2.gz YJUOHSRURLDJCD-DCGLDWPTSA-N 1 2 370.287 3.231 20 10 FGCDLO CCOC(=O)C1([N@H+](C)Cc2cc(F)cc(C(C)=O)c2O)CCCCC1 ZINC000763659222 723358984 /nfs/dbraw/zinc/35/89/84/723358984.db2.gz QLIUHPDCMXWWEE-UHFFFAOYSA-N 1 2 351.418 3.432 20 10 FGCDLO CCOC(=O)C1([N@@H+](C)Cc2cc(F)cc(C(C)=O)c2O)CCCCC1 ZINC000763659222 723358988 /nfs/dbraw/zinc/35/89/88/723358988.db2.gz QLIUHPDCMXWWEE-UHFFFAOYSA-N 1 2 351.418 3.432 20 10 FGCDLO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@@H](C)c2cc(F)cc(F)c2O)cc1 ZINC000775566301 724001047 /nfs/dbraw/zinc/00/10/47/724001047.db2.gz VIYBGPQGZWTXOP-STQMWFEESA-N 1 2 369.433 3.492 20 10 FGCDLO C[C@@H]([NH2+]Cc1cccc(Cl)c1O)c1cccc(NS(C)(=O)=O)c1 ZINC000776071187 724105967 /nfs/dbraw/zinc/10/59/67/724105967.db2.gz PPMWPNPQXVYWHJ-LLVKDONJSA-N 1 2 354.859 3.268 20 10 FGCDLO C[C@@H](O)C(C)(C)[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000776252288 724124073 /nfs/dbraw/zinc/12/40/73/724124073.db2.gz APJTWRUSSHOFOW-SSDOTTSWSA-N 1 2 367.081 3.166 20 10 FGCDLO C[C@H]([NH2+]Cc1ncnn1C(C)(C)C)c1cc(Br)cc(F)c1O ZINC000800500636 724203818 /nfs/dbraw/zinc/20/38/18/724203818.db2.gz SNAYKUCJAACEKY-VIFPVBQESA-N 1 2 371.254 3.491 20 10 FGCDLO CC(Cl)(Cl)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000777420758 724223953 /nfs/dbraw/zinc/22/39/53/724223953.db2.gz VMARCWUKNWATLD-LBPRGKRZSA-N 1 2 365.688 3.320 20 10 FGCDLO CC(Cl)(Cl)C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000777420758 724223955 /nfs/dbraw/zinc/22/39/55/724223955.db2.gz VMARCWUKNWATLD-LBPRGKRZSA-N 1 2 365.688 3.320 20 10 FGCDLO CCOC(=O)[C@@H](C)[N@H+](Cc1cc(Br)cc(C)c1O)C1CC1 ZINC000787441597 725028376 /nfs/dbraw/zinc/02/83/76/725028376.db2.gz OVXNFSNWALJTED-LLVKDONJSA-N 1 2 356.260 3.379 20 10 FGCDLO CCOC(=O)[C@@H](C)[N@@H+](Cc1cc(Br)cc(C)c1O)C1CC1 ZINC000787441597 725028377 /nfs/dbraw/zinc/02/83/77/725028377.db2.gz OVXNFSNWALJTED-LLVKDONJSA-N 1 2 356.260 3.379 20 10 FGCDLO OC[C@@]1(C[NH2+]Cc2cccc(Br)c2O)C[C@@H]1c1ccccc1 ZINC000810164489 725293923 /nfs/dbraw/zinc/29/39/23/725293923.db2.gz DWIRSSXIOPHDCW-QAPCUYQASA-N 1 2 362.267 3.411 20 10 FGCDLO CO[C@H](C)[C@@H](C)[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000811517199 725372167 /nfs/dbraw/zinc/37/21/67/725372167.db2.gz KXCPHZRVOLTLFI-HTQZYQBOSA-N 1 2 367.081 3.430 20 10 FGCDLO COc1cc(Br)cc(C[N@@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)c1O ZINC000816666924 727187542 /nfs/dbraw/zinc/18/75/42/727187542.db2.gz YIIHCYGVLOCXMN-SJORKVTESA-N 1 2 368.271 3.307 20 10 FGCDLO COc1cc(Br)cc(C[N@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)c1O ZINC000816666924 727187546 /nfs/dbraw/zinc/18/75/46/727187546.db2.gz YIIHCYGVLOCXMN-SJORKVTESA-N 1 2 368.271 3.307 20 10 FGCDLO CCOC(=O)C[N@@H+](Cc1ccccc1O)C[C@@H](O)c1ccc(Cl)cc1 ZINC000823576752 729289564 /nfs/dbraw/zinc/28/95/64/729289564.db2.gz XQAHOKPWUAHMED-GOSISDBHSA-N 1 2 363.841 3.144 20 10 FGCDLO CCOC(=O)C[N@H+](Cc1ccccc1O)C[C@@H](O)c1ccc(Cl)cc1 ZINC000823576752 729289567 /nfs/dbraw/zinc/28/95/67/729289567.db2.gz XQAHOKPWUAHMED-GOSISDBHSA-N 1 2 363.841 3.144 20 10 FGCDLO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(Br)c1O ZINC000824626313 729351573 /nfs/dbraw/zinc/35/15/73/729351573.db2.gz WIBKLIMRGLUYLE-OCCSQVGLSA-N 1 2 356.260 3.366 20 10 FGCDLO CCO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1cc(Br)cc(Cl)c1O ZINC000834902512 729844942 /nfs/dbraw/zinc/84/49/42/729844942.db2.gz BYMBPMMGPZXBAG-BZHVJNSISA-N 1 2 364.667 3.263 20 10 FGCDLO Cc1cc(C)c(CNC(=O)NCc2cc(Br)ccc2O)c[nH+]1 ZINC000836655532 729964011 /nfs/dbraw/zinc/96/40/11/729964011.db2.gz FAFSDUZPRVNMMV-UHFFFAOYSA-N 1 2 364.243 3.166 20 10 FGCDLO CC(C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1cc(Br)cc(Cl)c1O ZINC000840888855 730188450 /nfs/dbraw/zinc/18/84/50/730188450.db2.gz DGRWTMYLWAFCFP-RKDXNWHRSA-N 1 2 363.683 3.372 20 10 FGCDLO C[C@@H]([NH2+][C@H]1CCN(CC(F)F)C1)c1cc(Br)c(F)cc1O ZINC000841764759 730271974 /nfs/dbraw/zinc/27/19/74/730271974.db2.gz IBRBEZNRUOPTOG-BDAKNGLRSA-N 1 2 367.209 3.284 20 10 FGCDLO C[C@H]([NH2+][C@@H]1C[C@@H](C)n2ncnc21)c1cc(Br)cc(F)c1O ZINC000850498927 731364920 /nfs/dbraw/zinc/36/49/20/731364920.db2.gz GCCBIILYOLAPFD-RGNHYFCHSA-N 1 2 355.211 3.242 20 10 FGCDLO CCC1([NH+]2CCOCC2)CCN(Cc2cc(Cl)c(F)cc2O)CC1 ZINC000862536043 732845649 /nfs/dbraw/zinc/84/56/49/732845649.db2.gz FEEPHILWZCVMLX-UHFFFAOYSA-N 1 2 356.869 3.262 20 10 FGCDLO CC(=O)NCC[N@H+](Cc1ccc(C)s1)Cc1ccc(F)c(F)c1O ZINC000877502640 736674393 /nfs/dbraw/zinc/67/43/93/736674393.db2.gz OTKBHWUHQUUALT-UHFFFAOYSA-N 1 2 354.422 3.179 20 10 FGCDLO CC(=O)NCC[N@@H+](Cc1ccc(C)s1)Cc1ccc(F)c(F)c1O ZINC000877502640 736674395 /nfs/dbraw/zinc/67/43/95/736674395.db2.gz OTKBHWUHQUUALT-UHFFFAOYSA-N 1 2 354.422 3.179 20 10 FGCDLO Cc1ccc(C[NH2+]Cc2cc(Cl)cc(Br)c2O)c(=O)n1C ZINC000883105242 737524024 /nfs/dbraw/zinc/52/40/24/737524024.db2.gz CCFJRDSSYSTLSV-UHFFFAOYSA-N 1 2 371.662 3.105 20 10 FGCDLO Cc1noc([C@H]2CCC[N@H+](Cc3cc(Br)cc(F)c3O)C2)n1 ZINC000893962951 742219327 /nfs/dbraw/zinc/21/93/27/742219327.db2.gz UORSJQTWZJQTMD-JTQLQIEISA-N 1 2 370.222 3.365 20 10 FGCDLO Cc1noc([C@H]2CCC[N@@H+](Cc3cc(Br)cc(F)c3O)C2)n1 ZINC000893962951 742219329 /nfs/dbraw/zinc/21/93/29/742219329.db2.gz UORSJQTWZJQTMD-JTQLQIEISA-N 1 2 370.222 3.365 20 10 FGCDLO C[C@](CO)([NH2+]Cc1ccc(F)c(F)c1O)c1cccc(Br)c1 ZINC000898168839 742752394 /nfs/dbraw/zinc/75/23/94/742752394.db2.gz RHSVAOMIQBLWLV-MRXNPFEDSA-N 1 2 372.209 3.430 20 10 FGCDLO C[C@H]([NH2+]Cc1cnn(CCF)c1)c1cc(Br)cc(F)c1O ZINC000903274186 743833859 /nfs/dbraw/zinc/83/38/59/743833859.db2.gz JJABGYBRJSUVDR-VIFPVBQESA-N 1 2 360.202 3.311 20 10 FGCDLO Oc1c(F)cc(F)cc1C[NH2+]C1(c2ncc(Br)cn2)CCC1 ZINC000923002138 759048088 /nfs/dbraw/zinc/04/80/88/759048088.db2.gz YPXCMVHTZGYLGZ-UHFFFAOYSA-N 1 2 370.197 3.392 20 10 FGCDLO O=C(NCc1ccc(N2CCCC2)cc1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000076074282 493817227 /nfs/dbraw/zinc/81/72/27/493817227.db2.gz GGORACZEZYLKFO-KRWDZBQOSA-N 1 2 353.470 3.099 20 10 FGCDLO CCCCNC(=O)c1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000101595387 495082511 /nfs/dbraw/zinc/08/25/11/495082511.db2.gz GVJDXDDLONKMRF-UHFFFAOYSA-N 1 2 357.410 3.120 20 10 FGCDLO CCN(CC)c1ccc(CNC(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000170899626 495647203 /nfs/dbraw/zinc/64/72/03/495647203.db2.gz ZIEABEURWOLMIS-UHFFFAOYSA-N 1 2 355.486 3.276 20 10 FGCDLO C[C@H]([NH2+]Cc1nc(COc2ccccc2)n[nH]1)c1ccc(N(C)C)cc1 ZINC000186435137 495997584 /nfs/dbraw/zinc/99/75/84/495997584.db2.gz LYZYRAXVTXTAIC-HNNXBMFYSA-N 1 2 351.454 3.301 20 10 FGCDLO C[C@H]([NH2+]Cc1nnc(COc2ccccc2)[nH]1)c1ccc(N(C)C)cc1 ZINC000186435137 495997590 /nfs/dbraw/zinc/99/75/90/495997590.db2.gz LYZYRAXVTXTAIC-HNNXBMFYSA-N 1 2 351.454 3.301 20 10 FGCDLO C[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1O)c1ccc2c(c1)CC(=O)N2C ZINC000273576937 496845060 /nfs/dbraw/zinc/84/50/60/496845060.db2.gz MASZJMDIKPCOJL-RYUDHWBXSA-N 1 2 355.394 3.231 20 10 FGCDLO COCCOc1cc(C)ccc1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000273609615 496853359 /nfs/dbraw/zinc/85/33/59/496853359.db2.gz VJGNLNGGOZFLBB-AWEZNQCLSA-N 1 2 360.410 3.485 20 10 FGCDLO CC[N@H+](Cc1cc(Br)ccc1O)[C@H](C)c1nnnn1C1CC1 ZINC000192050250 496976545 /nfs/dbraw/zinc/97/65/45/496976545.db2.gz AMJKSQCSAVYXTP-SNVBAGLBSA-N 1 2 366.263 3.059 20 10 FGCDLO CC[N@@H+](Cc1cc(Br)ccc1O)[C@H](C)c1nnnn1C1CC1 ZINC000192050250 496976549 /nfs/dbraw/zinc/97/65/49/496976549.db2.gz AMJKSQCSAVYXTP-SNVBAGLBSA-N 1 2 366.263 3.059 20 10 FGCDLO COc1c(O)c(C[NH2+][C@H](COCC(C)C)c2ccco2)ccc1[N+](=O)[O-] ZINC000278568134 497154459 /nfs/dbraw/zinc/15/44/59/497154459.db2.gz CFNQFAMAWGIXAC-CQSZACIVSA-N 1 2 364.398 3.406 20 10 FGCDLO O=S1(=O)C[C@@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)c2ccccc21 ZINC000267913423 497638472 /nfs/dbraw/zinc/63/84/72/497638472.db2.gz FNFQROXFNGVKBO-LJQANCHMSA-N 1 2 356.491 3.295 20 10 FGCDLO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2c2nncn2C)c(C(F)(F)F)c1 ZINC000280170555 497671076 /nfs/dbraw/zinc/67/10/76/497671076.db2.gz GTYVEWCFOFCGJM-OAHLLOKOSA-N 1 2 353.392 3.237 20 10 FGCDLO CN(C)c1ccc(C[N@H+]2CCC[C@@H]2c2nncn2C)c(C(F)(F)F)c1 ZINC000280170555 497671079 /nfs/dbraw/zinc/67/10/79/497671079.db2.gz GTYVEWCFOFCGJM-OAHLLOKOSA-N 1 2 353.392 3.237 20 10 FGCDLO CCCOc1ccc(C[N@@H+]2CCCC[C@@H]2c2nc(COC)n[nH]2)c(O)c1 ZINC000296021756 497893505 /nfs/dbraw/zinc/89/35/05/497893505.db2.gz MMCUPAWBTOEPKY-MRXNPFEDSA-N 1 2 360.458 3.173 20 10 FGCDLO CCCOc1ccc(C[N@H+]2CCCC[C@@H]2c2nc(COC)n[nH]2)c(O)c1 ZINC000296021756 497893512 /nfs/dbraw/zinc/89/35/12/497893512.db2.gz MMCUPAWBTOEPKY-MRXNPFEDSA-N 1 2 360.458 3.173 20 10 FGCDLO COc1cc2nc(NCc3ccc(N(C)C)c(F)c3)[nH+]c(N)c2cc1OC ZINC000301241215 498016689 /nfs/dbraw/zinc/01/66/89/498016689.db2.gz MNYIMPOJNYIPQB-UHFFFAOYSA-N 1 2 371.416 3.046 20 10 FGCDLO COc1ccc(N2CCC([N@H+](C)Cc3csc(NC(C)=O)n3)CC2)cc1 ZINC000365715441 498611151 /nfs/dbraw/zinc/61/11/51/498611151.db2.gz DBQKDPLSQGUFSR-UHFFFAOYSA-N 1 2 374.510 3.211 20 10 FGCDLO COc1ccc(N2CCC([N@@H+](C)Cc3csc(NC(C)=O)n3)CC2)cc1 ZINC000365715441 498611155 /nfs/dbraw/zinc/61/11/55/498611155.db2.gz DBQKDPLSQGUFSR-UHFFFAOYSA-N 1 2 374.510 3.211 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)Cc3ccccc3OC)CC2)cc1 ZINC000363448209 498826915 /nfs/dbraw/zinc/82/69/15/498826915.db2.gz XTVUABPLFUYUBM-UHFFFAOYSA-N 1 2 368.477 3.374 20 10 FGCDLO CCOCc1cc(C[NH2+]Cc2ncc(C(F)(F)F)cn2)ccc1OC ZINC000295064447 498896515 /nfs/dbraw/zinc/89/65/15/498896515.db2.gz QNQQSDFUNJZCTM-UHFFFAOYSA-N 1 2 355.360 3.330 20 10 FGCDLO CCCCN(Cc1ccccc1O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000283536333 498915757 /nfs/dbraw/zinc/91/57/57/498915757.db2.gz GTQVCDIFXJKCBP-SFHVURJKSA-N 1 2 368.481 3.378 20 10 FGCDLO Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCc3cn[nH]c3C2)c1O ZINC000372497482 499134645 /nfs/dbraw/zinc/13/46/45/499134645.db2.gz QGVOAZOZNNAPDP-GWCFXTLKSA-N 1 2 350.260 3.394 20 10 FGCDLO C[C@@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)c1cc(Br)cc(F)c1O ZINC000370400017 499216928 /nfs/dbraw/zinc/21/69/28/499216928.db2.gz WRTNWFORRGHUIB-LDYMZIIASA-N 1 2 354.223 3.225 20 10 FGCDLO CC[C@@H]([NH2+][C@@H]1CCN(C(=O)c2ccncc2)C1)c1cccc(Cl)c1O ZINC000367897044 499242954 /nfs/dbraw/zinc/24/29/54/499242954.db2.gz QOQCJQDHLJZAAX-RHSMWYFYSA-N 1 2 359.857 3.396 20 10 FGCDLO CC[C@H]1C[C@H](C(=O)N(C)C2CC[NH+](c3ccc(OC)cc3)CC2)CCO1 ZINC000371595042 499345729 /nfs/dbraw/zinc/34/57/29/499345729.db2.gz AXPYLUXCSAYEHB-APWZRJJASA-N 1 2 360.498 3.328 20 10 FGCDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCc1ccc3c(c1)CCCN3C)C2 ZINC000372457066 499437217 /nfs/dbraw/zinc/43/72/17/499437217.db2.gz XNZSJDDCNWBXLE-QGZVFWFLSA-N 1 2 366.509 3.337 20 10 FGCDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCc1ccc3c(c1)CCCN3C)CC2 ZINC000372457066 499437219 /nfs/dbraw/zinc/43/72/19/499437219.db2.gz XNZSJDDCNWBXLE-QGZVFWFLSA-N 1 2 366.509 3.337 20 10 FGCDLO Cc1cc(C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)c(C)n1-c1ccccn1 ZINC000373041066 499448507 /nfs/dbraw/zinc/44/85/07/499448507.db2.gz DWKSPAWJRMLHQH-KRWDZBQOSA-N 1 2 363.465 3.242 20 10 FGCDLO CC[C@H](CSC)NC(=O)N(C)C1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000378463570 499520368 /nfs/dbraw/zinc/52/03/68/499520368.db2.gz RDOBWUBPPDBJKD-OAHLLOKOSA-N 1 2 365.543 3.447 20 10 FGCDLO CSc1cccc(-n2c(C)cc(C(=O)C[NH+]3CCC(O)CC3)c2C)c1 ZINC000198423242 713562006 /nfs/dbraw/zinc/56/20/06/713562006.db2.gz PAYZABCOPJDJCX-UHFFFAOYSA-N 1 2 358.507 3.455 20 10 FGCDLO C[C@H]1C[N@H+](Cc2c(O)cccc2Br)C[C@](C)(C(F)F)O1 ZINC000707167314 722412209 /nfs/dbraw/zinc/41/22/09/722412209.db2.gz XPQXPVCTXRCYIU-LKFCYVNXSA-N 1 2 350.203 3.399 20 10 FGCDLO C[C@H]1C[N@@H+](Cc2c(O)cccc2Br)C[C@](C)(C(F)F)O1 ZINC000707167314 722412210 /nfs/dbraw/zinc/41/22/10/722412210.db2.gz XPQXPVCTXRCYIU-LKFCYVNXSA-N 1 2 350.203 3.399 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(C(=O)N(C)C(C)C)CC2)c1O ZINC000748050437 722673232 /nfs/dbraw/zinc/67/32/32/722673232.db2.gz BEASWSSPWFMZQN-UHFFFAOYSA-N 1 2 366.889 3.327 20 10 FGCDLO CCNC(=O)C1(C[NH2+][C@@H](C)c2cc(Br)cc(F)c2O)CCC1 ZINC000754104841 722927736 /nfs/dbraw/zinc/92/77/36/722927736.db2.gz NCVZUTTZWCAZPG-JTQLQIEISA-N 1 2 373.266 3.251 20 10 FGCDLO C[C@H]([NH2+]CCN(C)CC(F)(F)F)c1cc(Br)cc(F)c1O ZINC000756568432 722967011 /nfs/dbraw/zinc/96/70/11/722967011.db2.gz DYUBPJYEQSNIQC-QMMMGPOBSA-N 1 2 373.188 3.439 20 10 FGCDLO Cc1cc(Br)c(O)c(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)c1 ZINC000790933222 723195455 /nfs/dbraw/zinc/19/54/55/723195455.db2.gz YJUOHSRURLDJCD-OGHNNQOOSA-N 1 2 370.287 3.231 20 10 FGCDLO Cc1cc(Br)c(O)c(C[N@H+]2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)c1 ZINC000790933222 723195459 /nfs/dbraw/zinc/19/54/59/723195459.db2.gz YJUOHSRURLDJCD-OGHNNQOOSA-N 1 2 370.287 3.231 20 10 FGCDLO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1c(O)ccc(Cl)c1F ZINC000792157408 723316362 /nfs/dbraw/zinc/31/63/62/723316362.db2.gz WIDCEGWOUIEBPO-SNVBAGLBSA-N 1 2 372.849 3.025 20 10 FGCDLO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1c(O)ccc(Cl)c1F ZINC000792157408 723316363 /nfs/dbraw/zinc/31/63/63/723316363.db2.gz WIDCEGWOUIEBPO-SNVBAGLBSA-N 1 2 372.849 3.025 20 10 FGCDLO CN(C)c1ccc(CNC(=O)C[N@H+](C)Cc2ccc(F)c(Cl)c2)cc1 ZINC000763827307 723373408 /nfs/dbraw/zinc/37/34/08/723373408.db2.gz VTVVOEXQIRSOSU-UHFFFAOYSA-N 1 2 363.864 3.293 20 10 FGCDLO CN(C)c1ccc(CNC(=O)C[N@@H+](C)Cc2ccc(F)c(Cl)c2)cc1 ZINC000763827307 723373410 /nfs/dbraw/zinc/37/34/10/723373410.db2.gz VTVVOEXQIRSOSU-UHFFFAOYSA-N 1 2 363.864 3.293 20 10 FGCDLO CCN(Cc1cc(Br)ccc1O)C(=O)c1cccc2[nH+]ccn21 ZINC000764456968 723414861 /nfs/dbraw/zinc/41/48/61/723414861.db2.gz LCVMIQRNSAYSTM-UHFFFAOYSA-N 1 2 374.238 3.465 20 10 FGCDLO CCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(C(C)=O)c1O ZINC000796160537 723624194 /nfs/dbraw/zinc/62/41/94/723624194.db2.gz JQXKCLGBBPEZPC-HNNXBMFYSA-N 1 2 368.861 3.349 20 10 FGCDLO CCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)cc(C(C)=O)c1O ZINC000796160537 723624196 /nfs/dbraw/zinc/62/41/96/723624196.db2.gz JQXKCLGBBPEZPC-HNNXBMFYSA-N 1 2 368.861 3.349 20 10 FGCDLO C[C@H]([NH2+]CC1([S@](C)=O)CCC1)c1cc(Br)c(F)cc1O ZINC000798004982 723897792 /nfs/dbraw/zinc/89/77/92/723897792.db2.gz REACCAMENGFBMZ-LXGOIASLSA-N 1 2 364.280 3.246 20 10 FGCDLO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+][C@@H](C)c2cc(F)cc(F)c2O)cc1 ZINC000775566295 724001034 /nfs/dbraw/zinc/00/10/34/724001034.db2.gz VIYBGPQGZWTXOP-OLZOCXBDSA-N 1 2 369.433 3.492 20 10 FGCDLO C[N@@H+](Cc1cc(Cl)cc(F)c1O)C[C@@H](O)COCc1ccccc1 ZINC000775661576 724018303 /nfs/dbraw/zinc/01/83/03/724018303.db2.gz MYABMKHCSFPTPV-MRXNPFEDSA-N 1 2 353.821 3.194 20 10 FGCDLO C[N@H+](Cc1cc(Cl)cc(F)c1O)C[C@@H](O)COCc1ccccc1 ZINC000775661576 724018310 /nfs/dbraw/zinc/01/83/10/724018310.db2.gz MYABMKHCSFPTPV-MRXNPFEDSA-N 1 2 353.821 3.194 20 10 FGCDLO C[N@@H+](Cc1cc(Br)cc(Br)c1O)[C@@H]1CCOC1 ZINC000775676926 724022177 /nfs/dbraw/zinc/02/21/77/724022177.db2.gz BINFPBLUEYWQHR-SNVBAGLBSA-N 1 2 365.065 3.138 20 10 FGCDLO C[N@H+](Cc1cc(Br)cc(Br)c1O)[C@@H]1CCOC1 ZINC000775676926 724022169 /nfs/dbraw/zinc/02/21/69/724022169.db2.gz BINFPBLUEYWQHR-SNVBAGLBSA-N 1 2 365.065 3.138 20 10 FGCDLO Cc1occc1C(=O)NC1CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000775679316 724023471 /nfs/dbraw/zinc/02/34/71/724023471.db2.gz WPQGFERXTCMKBB-UHFFFAOYSA-N 1 2 366.820 3.481 20 10 FGCDLO CCOC(=O)[C@H](C)[N@H+](Cc1cc(C)cc(Br)c1O)C1CC1 ZINC000787442141 725028628 /nfs/dbraw/zinc/02/86/28/725028628.db2.gz TYKMILGHSHNLJD-NSHDSACASA-N 1 2 356.260 3.379 20 10 FGCDLO CCOC(=O)[C@H](C)[N@@H+](Cc1cc(C)cc(Br)c1O)C1CC1 ZINC000787442141 725028631 /nfs/dbraw/zinc/02/86/31/725028631.db2.gz TYKMILGHSHNLJD-NSHDSACASA-N 1 2 356.260 3.379 20 10 FGCDLO CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1cccc(Cl)c1[O-] ZINC000806137091 725117451 /nfs/dbraw/zinc/11/74/51/725117451.db2.gz KEWHBEPPMWHAOW-DLBZAZTESA-N 1 2 367.921 3.029 20 10 FGCDLO CC[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1cccc(Cl)c1[O-] ZINC000806137091 725117453 /nfs/dbraw/zinc/11/74/53/725117453.db2.gz KEWHBEPPMWHAOW-DLBZAZTESA-N 1 2 367.921 3.029 20 10 FGCDLO Oc1c(Br)cc(Br)cc1C[NH2+][C@@H]1CCCOC1 ZINC000809788103 725268832 /nfs/dbraw/zinc/26/88/32/725268832.db2.gz NFLJZXFMURIQCR-SNVBAGLBSA-N 1 2 365.065 3.186 20 10 FGCDLO O=C(NCc1cccc(Br)c1O)Nc1ccn2cc[nH+]c2c1 ZINC000810228573 725298266 /nfs/dbraw/zinc/29/82/66/725298266.db2.gz VZDSCSQRAXBKMT-UHFFFAOYSA-N 1 2 361.199 3.124 20 10 FGCDLO C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@@H](CC(F)(F)F)O1 ZINC000827789645 729434922 /nfs/dbraw/zinc/43/49/22/729434922.db2.gz XXJNWJNSCYIDBL-RHSMWYFYSA-N 1 2 358.404 3.065 20 10 FGCDLO C[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)C[C@@H](CC(F)(F)F)O1 ZINC000827789645 729434923 /nfs/dbraw/zinc/43/49/23/729434923.db2.gz XXJNWJNSCYIDBL-RHSMWYFYSA-N 1 2 358.404 3.065 20 10 FGCDLO Cc1cc(C(=O)C[N@H+]2CCOC[C@H](C)C2)c(C)n1-c1ccc(Cl)cn1 ZINC000828487781 729443987 /nfs/dbraw/zinc/44/39/87/729443987.db2.gz KKUJTUQVNXTFGI-CYBMUJFWSA-N 1 2 361.873 3.294 20 10 FGCDLO Cc1cc(C(=O)C[N@@H+]2CCOC[C@H](C)C2)c(C)n1-c1ccc(Cl)cn1 ZINC000828487781 729443988 /nfs/dbraw/zinc/44/39/88/729443988.db2.gz KKUJTUQVNXTFGI-CYBMUJFWSA-N 1 2 361.873 3.294 20 10 FGCDLO C[N@@H+]1CC[C@H](NC(=O)Cc2ccc(N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000831452816 729643496 /nfs/dbraw/zinc/64/34/96/729643496.db2.gz UFTJGVZBTHTYKJ-PKOBYXMFSA-N 1 2 361.848 3.165 20 10 FGCDLO C[N@H+]1CC[C@H](NC(=O)Cc2ccc(N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000831452816 729643498 /nfs/dbraw/zinc/64/34/98/729643498.db2.gz UFTJGVZBTHTYKJ-PKOBYXMFSA-N 1 2 361.848 3.165 20 10 FGCDLO COCC[N@@H+](Cc1c(C)nn(C)c1C)Cc1cc(Cl)c(F)cc1O ZINC000835073281 729856240 /nfs/dbraw/zinc/85/62/40/729856240.db2.gz KQAFTKUKODVTOV-UHFFFAOYSA-N 1 2 355.841 3.184 20 10 FGCDLO C[C@H]([NH2+][C@@H]1CCN(CC(F)F)C1)c1cc(Br)c(F)cc1O ZINC000841764760 730272042 /nfs/dbraw/zinc/27/20/42/730272042.db2.gz IBRBEZNRUOPTOG-DTWKUNHWSA-N 1 2 367.209 3.284 20 10 FGCDLO CC(C)(C)OC(=O)C1(C[NH2+]Cc2cccc(Cl)c2O)CCOCC1 ZINC000843421313 730619055 /nfs/dbraw/zinc/61/90/55/730619055.db2.gz BMVVIDQRWAZVPP-UHFFFAOYSA-N 1 2 355.862 3.274 20 10 FGCDLO Cc1ccc([C@@H]([NH2+]Cc2cc(F)cc(F)c2O)[C@@H](C)S(C)(=O)=O)cc1 ZINC000894647929 742314187 /nfs/dbraw/zinc/31/41/87/742314187.db2.gz HESWCZXVWAOBEU-PXAZEXFGSA-N 1 2 369.433 3.243 20 10 FGCDLO COCC[N@H+](Cc1ccccn1)Cc1cc(Br)cc(F)c1O ZINC000894765384 742330104 /nfs/dbraw/zinc/33/01/04/742330104.db2.gz HFGYIFFQHGDCQD-UHFFFAOYSA-N 1 2 369.234 3.337 20 10 FGCDLO COCC[N@@H+](Cc1ccccn1)Cc1cc(Br)cc(F)c1O ZINC000894765384 742330109 /nfs/dbraw/zinc/33/01/09/742330109.db2.gz HFGYIFFQHGDCQD-UHFFFAOYSA-N 1 2 369.234 3.337 20 10 FGCDLO CO[C@@H]1CCOC[C@H]1[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1O ZINC000903299079 743834724 /nfs/dbraw/zinc/83/47/24/743834724.db2.gz DFZNALAVYPWPSR-ZEGGKSINSA-N 1 2 364.667 3.263 20 10 FGCDLO C[C@@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)c1cc(F)cc(F)c1O ZINC000903478027 743854392 /nfs/dbraw/zinc/85/43/92/743854392.db2.gz JBDVODMARYTPNJ-SCZZXKLOSA-N 1 2 372.213 3.295 20 10 FGCDLO Oc1c(F)cc(Br)cc1C[NH2+]Cc1nc2c(s1)COCC2 ZINC000922960760 759040805 /nfs/dbraw/zinc/04/08/05/759040805.db2.gz UUQZUUGYKJAXOU-UHFFFAOYSA-N 1 2 373.247 3.113 20 10 FGCDLO Cn1ccnc1[C@H](O)[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000092011278 494753512 /nfs/dbraw/zinc/75/35/12/494753512.db2.gz NNHDSWIZOQAQBG-BDJLRTHQSA-N 1 2 370.280 3.378 20 10 FGCDLO Cn1ccnc1[C@H](O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000092011278 494753517 /nfs/dbraw/zinc/75/35/17/494753517.db2.gz NNHDSWIZOQAQBG-BDJLRTHQSA-N 1 2 370.280 3.378 20 10 FGCDLO CN1CCCc2cc(CNC(=O)N3CCCC[C@H]3c3[nH]cc[nH+]3)ccc21 ZINC000106549749 495468183 /nfs/dbraw/zinc/46/81/83/495468183.db2.gz AJJMYRMIKYOPSC-SFHVURJKSA-N 1 2 353.470 3.229 20 10 FGCDLO CC(C)[N@H+](Cc1noc(C2CCOCC2)n1)Cc1ccc(N(C)C)cc1 ZINC000264259253 496854431 /nfs/dbraw/zinc/85/44/31/496854431.db2.gz HTKIMSNBROHDFV-UHFFFAOYSA-N 1 2 358.486 3.440 20 10 FGCDLO CC(C)[N@@H+](Cc1noc(C2CCOCC2)n1)Cc1ccc(N(C)C)cc1 ZINC000264259253 496854436 /nfs/dbraw/zinc/85/44/36/496854436.db2.gz HTKIMSNBROHDFV-UHFFFAOYSA-N 1 2 358.486 3.440 20 10 FGCDLO O=C(NCC(F)(F)F)[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000275122466 497240045 /nfs/dbraw/zinc/24/00/45/497240045.db2.gz HNDAQRDYHXFHPQ-QMMMGPOBSA-N 1 2 371.186 3.199 20 10 FGCDLO O=C(NCC(F)(F)F)[C@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000275122466 497240049 /nfs/dbraw/zinc/24/00/49/497240049.db2.gz HNDAQRDYHXFHPQ-QMMMGPOBSA-N 1 2 371.186 3.199 20 10 FGCDLO CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2O)s1 ZINC000279921014 497589375 /nfs/dbraw/zinc/58/93/75/497589375.db2.gz ADMPQXDFOCSJPF-JTQLQIEISA-N 1 2 370.452 3.006 20 10 FGCDLO C[C@H]([NH2+]CCCCO)c1cc(Br)cc(Br)c1O ZINC000194212268 497603345 /nfs/dbraw/zinc/60/33/45/497603345.db2.gz ZCALHLKSAKZAJG-QMMMGPOBSA-N 1 2 367.081 3.340 20 10 FGCDLO C[C@@H]([NH2+]Cc1ccnc(OC2CCOCC2)c1)c1ccc(F)c(F)c1O ZINC000276885739 497678879 /nfs/dbraw/zinc/67/88/79/497678879.db2.gz GVNSYWDXMKCDAD-GFCCVEGCSA-N 1 2 364.392 3.474 20 10 FGCDLO Cc1cc(Br)cc(C[N@H+](C)Cc2nncn2C(C)C)c1O ZINC000292857688 498172848 /nfs/dbraw/zinc/17/28/48/498172848.db2.gz UYGAQHJLTCWXNZ-UHFFFAOYSA-N 1 2 353.264 3.268 20 10 FGCDLO Oc1c(Br)cccc1C[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000289512746 498175039 /nfs/dbraw/zinc/17/50/39/498175039.db2.gz DGJIJFIRRNTBHD-MWLCHTKSSA-N 1 2 354.166 3.354 20 10 FGCDLO Nc1nc(NCc2ccc(N3CCC(CO)CC3)cc2)[nH+]c2ccccc12 ZINC000301869575 498304457 /nfs/dbraw/zinc/30/44/57/498304457.db2.gz IJIFXIBFOQKOKN-UHFFFAOYSA-N 1 2 363.465 3.033 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)c3cc(F)ccc3O)CC2)cc1 ZINC000362336103 498499874 /nfs/dbraw/zinc/49/98/74/498499874.db2.gz OBTOQOXBNSFHMQ-UHFFFAOYSA-N 1 2 358.413 3.281 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](OCc3ccncc3)C2)c1O ZINC000287805974 498868209 /nfs/dbraw/zinc/86/82/09/498868209.db2.gz OSYNCIUWYLYAMC-QGZVFWFLSA-N 1 2 360.841 3.434 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](OCc3ccncc3)C2)c1O ZINC000287805974 498868215 /nfs/dbraw/zinc/86/82/15/498868215.db2.gz OSYNCIUWYLYAMC-QGZVFWFLSA-N 1 2 360.841 3.434 20 10 FGCDLO C[C@@H]([NH2+]Cc1nnc2n1C[C@H](C(F)(F)F)CC2)c1ccc(F)cc1O ZINC000369902052 499148627 /nfs/dbraw/zinc/14/86/27/499148627.db2.gz KCEQSPOANMNRIJ-NXEZZACHSA-N 1 2 358.339 3.098 20 10 FGCDLO CCOC1(C(=O)N(C)C2CC[NH+](c3ccc(OC)cc3)CC2)CCCC1 ZINC000367400138 499194838 /nfs/dbraw/zinc/19/48/38/499194838.db2.gz TZCSIAXIEVIYTR-UHFFFAOYSA-N 1 2 360.498 3.472 20 10 FGCDLO Oc1ccc2ccccc2c1C[N@@H+]1CCn2c(nnc2-c2cccnc2)C1 ZINC000367474601 499203596 /nfs/dbraw/zinc/20/35/96/499203596.db2.gz KQKIXTJEINYLEE-UHFFFAOYSA-N 1 2 357.417 3.215 20 10 FGCDLO Oc1ccc2ccccc2c1C[N@H+]1CCn2c(nnc2-c2cccnc2)C1 ZINC000367474601 499203597 /nfs/dbraw/zinc/20/35/97/499203597.db2.gz KQKIXTJEINYLEE-UHFFFAOYSA-N 1 2 357.417 3.215 20 10 FGCDLO COCCn1cc2c(n1)[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)CCC2 ZINC000370464194 499223112 /nfs/dbraw/zinc/22/31/12/499223112.db2.gz URRVGOVVMDLBNB-AWEZNQCLSA-N 1 2 353.825 3.195 20 10 FGCDLO CC[C@H]([NH2+][C@@H]1CCCN(Cc2noc(C)n2)C1)c1cccc(Cl)c1O ZINC000367895610 499242742 /nfs/dbraw/zinc/24/27/42/499242742.db2.gz JVCMIMXHDANERL-CJNGLKHVSA-N 1 2 364.877 3.442 20 10 FGCDLO Oc1c(Br)cccc1C[NH2+][C@H]1CCO[C@]2(CCSC2)C1 ZINC000151343008 704920287 /nfs/dbraw/zinc/92/02/87/704920287.db2.gz BRRBOVWMZUWXTE-SWLSCSKDSA-N 1 2 358.301 3.299 20 10 FGCDLO C[C@@H]([NH2+][C@H]1CCn2ccnc2C1)c1cc(Br)c(F)cc1O ZINC000779064267 724386667 /nfs/dbraw/zinc/38/66/67/724386667.db2.gz HXFCXOCRJZDOTA-ZJUUUORDSA-N 1 2 354.223 3.156 20 10 FGCDLO Cc1[nH+]ccn1CCCNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000804950328 724568380 /nfs/dbraw/zinc/56/83/80/724568380.db2.gz WWZPMSHBKBGYEN-UHFFFAOYSA-N 1 2 357.241 3.093 20 10 FGCDLO COCC[C@@H](Cc1ccco1)[NH2+]Cc1cccc(Br)c1O ZINC000784624502 724868827 /nfs/dbraw/zinc/86/88/27/724868827.db2.gz DDRXQQDKHJFZMG-ZDUSSCGKSA-N 1 2 354.244 3.485 20 10 FGCDLO C[C@@H](C[S@](C)=O)[N@H+](C)Cc1cc(Cl)cc(Br)c1O ZINC000708075932 722412639 /nfs/dbraw/zinc/41/26/39/722412639.db2.gz QQGKWPHKGIXASF-ASCAZGACSA-N 1 2 354.697 3.007 20 10 FGCDLO C[C@@H](C[S@](C)=O)[N@@H+](C)Cc1cc(Cl)cc(Br)c1O ZINC000708075932 722412640 /nfs/dbraw/zinc/41/26/40/722412640.db2.gz QQGKWPHKGIXASF-ASCAZGACSA-N 1 2 354.697 3.007 20 10 FGCDLO Cc1ccc(C(=O)NCC[NH2+][C@H](C)c2cc(F)cc(F)c2O)cc1F ZINC000756395182 722963909 /nfs/dbraw/zinc/96/39/09/722963909.db2.gz HRGRXZTWESDFNS-LLVKDONJSA-N 1 2 352.356 3.199 20 10 FGCDLO CC[C@H](C)NC(=O)CC[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000756454558 722964963 /nfs/dbraw/zinc/96/49/63/722964963.db2.gz GCRGCZDVKZFXFW-VHSXEESVSA-N 1 2 361.255 3.249 20 10 FGCDLO CCN(CC)C(=O)C[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1O ZINC000756456142 722964981 /nfs/dbraw/zinc/96/49/81/722964981.db2.gz MCDYGYSUNMEOIY-VIFPVBQESA-N 1 2 363.683 3.327 20 10 FGCDLO C[C@@H]([NH2+][C@@H](CO)CC(F)(F)F)c1cc(Br)cc(F)c1O ZINC000756775538 722969946 /nfs/dbraw/zinc/96/99/46/722969946.db2.gz ITGTYGXYQSUPCW-HTRCEHHLSA-N 1 2 360.145 3.258 20 10 FGCDLO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2Cc2c(O)ccc(Cl)c2F)C[C@@H](C)O1 ZINC000792167324 723317136 /nfs/dbraw/zinc/31/71/36/723317136.db2.gz NFPFASKWZZIUOJ-MCIONIFRSA-N 1 2 356.869 3.258 20 10 FGCDLO C[C@@H]1CN(C[C@@H]2CCC[N@H+]2Cc2c(O)ccc(Cl)c2F)C[C@@H](C)O1 ZINC000792167324 723317138 /nfs/dbraw/zinc/31/71/38/723317138.db2.gz NFPFASKWZZIUOJ-MCIONIFRSA-N 1 2 356.869 3.258 20 10 FGCDLO COC(=O)[C@H](C)[N@H+](Cc1cc(C)cc(Br)c1O)C1CCC1 ZINC000792189001 723319819 /nfs/dbraw/zinc/31/98/19/723319819.db2.gz ZQFAYQBDLHSTKR-NSHDSACASA-N 1 2 356.260 3.379 20 10 FGCDLO COC(=O)[C@H](C)[N@@H+](Cc1cc(C)cc(Br)c1O)C1CCC1 ZINC000792189001 723319821 /nfs/dbraw/zinc/31/98/21/723319821.db2.gz ZQFAYQBDLHSTKR-NSHDSACASA-N 1 2 356.260 3.379 20 10 FGCDLO Oc1cccc(Cl)c1C[NH+]1CCN(c2nc(F)c(F)cc2F)CC1 ZINC000763621280 723356538 /nfs/dbraw/zinc/35/65/38/723356538.db2.gz YTHDUCUDWVTPHS-UHFFFAOYSA-N 1 2 357.763 3.180 20 10 FGCDLO O=C1NCC[N@@H+](Cc2ccccc2O)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000770505305 723715308 /nfs/dbraw/zinc/71/53/08/723715308.db2.gz OFLKPEDKSOCFHW-MRXNPFEDSA-N 1 2 350.340 3.084 20 10 FGCDLO O=C1NCC[N@H+](Cc2ccccc2O)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000770505305 723715310 /nfs/dbraw/zinc/71/53/10/723715310.db2.gz OFLKPEDKSOCFHW-MRXNPFEDSA-N 1 2 350.340 3.084 20 10 FGCDLO COc1c(O)c(C[NH2+]Cc2c(F)cc(F)c(F)c2F)ccc1[N+](=O)[O-] ZINC000797604842 723841386 /nfs/dbraw/zinc/84/13/86/723841386.db2.gz JCMGXAUPYLDZGI-UHFFFAOYSA-N 1 2 360.263 3.155 20 10 FGCDLO COc1cccc([C@H]2[C@H](NC(=O)C3=CC(=O)CS3)CC[N@@H+]2C2CC2)c1 ZINC000778515232 724339192 /nfs/dbraw/zinc/33/91/92/724339192.db2.gz PSOCBTHIYIXNTP-AEFFLSMTSA-N 1 2 358.463 3.170 20 10 FGCDLO COc1cccc([C@H]2[C@H](NC(=O)C3=CC(=O)CS3)CC[N@H+]2C2CC2)c1 ZINC000778515232 724339194 /nfs/dbraw/zinc/33/91/94/724339194.db2.gz PSOCBTHIYIXNTP-AEFFLSMTSA-N 1 2 358.463 3.170 20 10 FGCDLO CC(C)[C@H](C[NH2+]Cc1cccc(Br)c1O)c1ccnn1C ZINC000788074837 725042671 /nfs/dbraw/zinc/04/26/71/725042671.db2.gz DYDUDUSMZRVTIJ-ZDUSSCGKSA-N 1 2 352.276 3.418 20 10 FGCDLO CC[C@@H]([NH2+]Cc1cccc(OCC(=O)NC)c1)c1cccc(Cl)c1O ZINC000806130990 725117025 /nfs/dbraw/zinc/11/70/25/725117025.db2.gz FWFAQHXYNIZINF-QGZVFWFLSA-N 1 2 362.857 3.411 20 10 FGCDLO Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(N(C)C)c(C)c3)CC2)s1 ZINC000815021943 727021054 /nfs/dbraw/zinc/02/10/54/727021054.db2.gz SDSIDAAHGWVJMY-UHFFFAOYSA-N 1 2 357.523 3.389 20 10 FGCDLO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2Cc2cc(Cl)c(F)cc2O)C[C@@H](C)O1 ZINC000816496572 727168092 /nfs/dbraw/zinc/16/80/92/727168092.db2.gz OTSMUMRHCCZCOX-UMVBOHGHSA-N 1 2 356.869 3.258 20 10 FGCDLO C[C@@H]1CN(C[C@H]2CCC[N@H+]2Cc2cc(Cl)c(F)cc2O)C[C@@H](C)O1 ZINC000816496572 727168095 /nfs/dbraw/zinc/16/80/95/727168095.db2.gz OTSMUMRHCCZCOX-UMVBOHGHSA-N 1 2 356.869 3.258 20 10 FGCDLO O=C(NCCC[NH2+]Cc1cc(Cl)c(F)cc1O)c1ccc(F)cc1 ZINC000816550119 727174036 /nfs/dbraw/zinc/17/40/36/727174036.db2.gz IZAZUXJQIJBPLC-UHFFFAOYSA-N 1 2 354.784 3.234 20 10 FGCDLO Cc1cc(CNC(=O)NCc2cccc(Br)c2O)cc(C)[nH+]1 ZINC000817171081 727226785 /nfs/dbraw/zinc/22/67/85/727226785.db2.gz QYBQBXDCGURALQ-UHFFFAOYSA-N 1 2 364.243 3.166 20 10 FGCDLO CCCN1C[C@@H](C[NH2+][C@H](C)c2cc(Br)cc(F)c2O)CC1=O ZINC000817587946 727268526 /nfs/dbraw/zinc/26/85/26/727268526.db2.gz ALPQAWYWPAMQCS-GHMZBOCLSA-N 1 2 373.266 3.203 20 10 FGCDLO OC[C@@]1(F)C[N@H+](Cc2cc(Cl)c(F)cc2O)C[C@H]1c1ccccc1 ZINC000824636532 729352133 /nfs/dbraw/zinc/35/21/33/729352133.db2.gz RSOVWRROCNDSFK-KSSFIOAISA-N 1 2 353.796 3.485 20 10 FGCDLO OC[C@@]1(F)C[N@@H+](Cc2cc(Cl)c(F)cc2O)C[C@H]1c1ccccc1 ZINC000824636532 729352135 /nfs/dbraw/zinc/35/21/35/729352135.db2.gz RSOVWRROCNDSFK-KSSFIOAISA-N 1 2 353.796 3.485 20 10 FGCDLO CCOC(=O)[C@@]1(C)CCC[C@H]1[NH2+]Cc1cccc(Br)c1O ZINC000827750261 729434182 /nfs/dbraw/zinc/43/41/82/729434182.db2.gz CCFRXNFGQRCSKZ-CJNGLKHVSA-N 1 2 356.260 3.366 20 10 FGCDLO CC[C@H]([NH2+][C@H](C)c1cc(Br)cc(F)c1O)[C@H](O)C(F)F ZINC000834876081 729841186 /nfs/dbraw/zinc/84/11/86/729841186.db2.gz YEMOXSANYIYIKQ-HUABCPSTSA-N 1 2 356.182 3.349 20 10 FGCDLO C[C@H]([NH2+][C@H]1C[C@H]2CCCCN2C1=O)c1cc(Br)cc(F)c1O ZINC000834916364 729846170 /nfs/dbraw/zinc/84/61/70/729846170.db2.gz WOTJIKNSZRCPOS-PXWWUCIGSA-N 1 2 371.250 3.098 20 10 FGCDLO COC(=O)[C@H]([NH2+]Cc1cc(Cl)cc(C)c1O)[C@@H]1CCC[C@H](OC)C1 ZINC000846109363 730929628 /nfs/dbraw/zinc/92/96/28/730929628.db2.gz UDYKUFWXSOBJBJ-UHOFOFEASA-N 1 2 355.862 3.190 20 10 FGCDLO Cn1c(=O)ccc2c1CCC[C@H]2[NH2+]Cc1cccc(Br)c1O ZINC000846109285 730929738 /nfs/dbraw/zinc/92/97/38/730929738.db2.gz SXBFKKUVZKTJDT-CQSZACIVSA-N 1 2 363.255 3.021 20 10 FGCDLO C[C@H]([NH2+]CCO[C@H]1CC1(F)F)c1cc(Br)cc(F)c1O ZINC000850521393 731368895 /nfs/dbraw/zinc/36/88/95/731368895.db2.gz UHGMGLSHKCBBNO-CPCISQLKSA-N 1 2 354.166 3.369 20 10 FGCDLO COc1ccc([C@H](O)C[NH2+]Cc2cc(Br)cc(F)c2O)cc1 ZINC000882884525 737501088 /nfs/dbraw/zinc/50/10/88/737501088.db2.gz MUYXZUBEYKNNGY-OAHLLOKOSA-N 1 2 370.218 3.126 20 10 FGCDLO Oc1c(F)cc(Br)cc1C[NH2+]CC1(CF)CCOCC1 ZINC000883134555 737527910 /nfs/dbraw/zinc/52/79/10/737527910.db2.gz BMKUIQBPNCDWLF-UHFFFAOYSA-N 1 2 350.203 3.150 20 10 FGCDLO CN(C)c1cc(F)c(C[NH+]2CCC(CO)(C(F)(F)F)CC2)cc1F ZINC000897046048 742636029 /nfs/dbraw/zinc/63/60/29/742636029.db2.gz NAKSBGYVBRZATN-UHFFFAOYSA-N 1 2 352.347 3.168 20 10 FGCDLO CC(C)[C@H]([NH2+][C@H](C)c1cc(Br)c(F)cc1O)c1nncn1C ZINC000903063048 743800736 /nfs/dbraw/zinc/80/07/36/743800736.db2.gz BQHHOFGKRIWMQX-OTYXRUKQSA-N 1 2 371.254 3.470 20 10 FGCDLO CC[N@H+](Cc1nc(C2CC2)no1)Cc1cc(Br)ccc1O ZINC000076118454 493826389 /nfs/dbraw/zinc/82/63/89/493826389.db2.gz WCQLHQZDXWMBIM-UHFFFAOYSA-N 1 2 352.232 3.437 20 10 FGCDLO CC[N@@H+](Cc1nc(C2CC2)no1)Cc1cc(Br)ccc1O ZINC000076118454 493826395 /nfs/dbraw/zinc/82/63/95/493826395.db2.gz WCQLHQZDXWMBIM-UHFFFAOYSA-N 1 2 352.232 3.437 20 10 FGCDLO C[C@@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)c1ccc(Cl)c(Cl)c1O ZINC000186375753 495972546 /nfs/dbraw/zinc/97/25/46/495972546.db2.gz QFDNSPPPNMYNIV-GHMZBOCLSA-N 1 2 362.253 3.272 20 10 FGCDLO C[C@H]([NH2+]Cc1ccnc(OCC(F)(F)F)c1)c1cc([N+](=O)[O-])ccc1O ZINC000273303102 496768179 /nfs/dbraw/zinc/76/81/79/496768179.db2.gz CBVVVNCKLOBWAA-JTQLQIEISA-N 1 2 371.315 3.487 20 10 FGCDLO CCN(CC)c1ccc(C[N@@H+]2C[C@H](OC)C[C@H]2c2nc(C)no2)cc1F ZINC000248823840 497110317 /nfs/dbraw/zinc/11/03/17/497110317.db2.gz FZDZVVZJLXTWOP-QAPCUYQASA-N 1 2 362.449 3.325 20 10 FGCDLO CCN(CC)c1ccc(C[N@H+]2C[C@H](OC)C[C@H]2c2nc(C)no2)cc1F ZINC000248823840 497110323 /nfs/dbraw/zinc/11/03/23/497110323.db2.gz FZDZVVZJLXTWOP-QAPCUYQASA-N 1 2 362.449 3.325 20 10 FGCDLO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000265449915 497123125 /nfs/dbraw/zinc/12/31/25/497123125.db2.gz TXSQQNCERQUMGJ-UHFFFAOYSA-N 1 2 369.513 3.334 20 10 FGCDLO COc1c(O)c(C[NH2+]Cc2c(F)cccc2OC(F)F)ccc1[N+](=O)[O-] ZINC000278512472 497139414 /nfs/dbraw/zinc/13/94/14/497139414.db2.gz QCNHDOLYTQLKBX-UHFFFAOYSA-N 1 2 372.299 3.339 20 10 FGCDLO COc1c(O)c(C[NH2+][C@H](c2nc(C3CC3)no2)C(C)C)ccc1[N+](=O)[O-] ZINC000278524585 497143198 /nfs/dbraw/zinc/14/31/98/497143198.db2.gz SXNHPMBHXSYGQM-ZDUSSCGKSA-N 1 2 362.386 3.056 20 10 FGCDLO Oc1c(Cl)cc(Cl)cc1C[NH2+]C1CCN(c2cccnn2)CC1 ZINC000277050459 497727132 /nfs/dbraw/zinc/72/71/32/497727132.db2.gz QGOHLHDWZKYWPP-UHFFFAOYSA-N 1 2 353.253 3.248 20 10 FGCDLO C[C@H]([NH2+]C[C@@H](c1cccs1)N1CCOCC1)c1ccc(F)c(F)c1O ZINC000191183132 497736001 /nfs/dbraw/zinc/73/60/01/497736001.db2.gz IOTCMXGPYGNXNH-WFASDCNBSA-N 1 2 368.449 3.456 20 10 FGCDLO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccc(F)c(F)c1O ZINC000191209968 497745166 /nfs/dbraw/zinc/74/51/66/497745166.db2.gz FXCMBNNNKXBLRU-LBPRGKRZSA-N 1 2 366.383 3.497 20 10 FGCDLO Cc1occc1C(=O)NC1CC[NH+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000191313020 497777454 /nfs/dbraw/zinc/77/74/54/497777454.db2.gz CXQFEKZBYKYMQD-UHFFFAOYSA-N 1 2 366.820 3.481 20 10 FGCDLO C[C@H]([NH2+][C@@H](c1nccn1C)C1CCOCC1)c1ccc(F)c(F)c1O ZINC000284740817 497885527 /nfs/dbraw/zinc/88/55/27/497885527.db2.gz FCNSVVBPTBMYKY-MEDUHNTESA-N 1 2 351.397 3.222 20 10 FGCDLO Cn1cc[nH+]c1[C@H]1N(C(=O)NCc2ccc3c(c2)CCCN3C)CC1(C)C ZINC000297180249 498346010 /nfs/dbraw/zinc/34/60/10/498346010.db2.gz KIXGYHFAFOUEOJ-GOSISDBHSA-N 1 2 367.497 3.095 20 10 FGCDLO COc1cc[nH+]cc1CNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000297897030 498601745 /nfs/dbraw/zinc/60/17/45/498601745.db2.gz HQTBNNSIPHSSSR-UHFFFAOYSA-N 1 2 356.470 3.276 20 10 FGCDLO C[C@H]([NH2+][C@H]1CCc2c[nH]nc2C1)c1cc(Br)cc(F)c1O ZINC000370400016 499216976 /nfs/dbraw/zinc/21/69/76/499216976.db2.gz WRTNWFORRGHUIB-KWQFWETISA-N 1 2 354.223 3.225 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000368865245 499341190 /nfs/dbraw/zinc/34/11/90/499341190.db2.gz HBLQMTQKPDJFQL-UHFFFAOYSA-N 1 2 369.421 3.344 20 10 FGCDLO CC[C@H]1C[C@@H](C(=O)N(C)C2CC[NH+](c3ccc(OC)cc3)CC2)CCO1 ZINC000371595043 499345653 /nfs/dbraw/zinc/34/56/53/499345653.db2.gz AXPYLUXCSAYEHB-LPHOPBHVSA-N 1 2 360.498 3.328 20 10 FGCDLO C[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1)c1cc(Br)cc(F)c1O ZINC000375302505 499504828 /nfs/dbraw/zinc/50/48/28/499504828.db2.gz KVTMZNKLEZDXOI-MIUALZABSA-N 1 2 371.250 3.002 20 10 FGCDLO Oc1ccc(Br)cc1C[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000375389649 499513056 /nfs/dbraw/zinc/51/30/56/499513056.db2.gz GBFMYXLNTILTMY-HNNXBMFYSA-N 1 2 359.227 3.152 20 10 FGCDLO CC(C)(C)n1ncc2c1nc[nH+]c2N1CC=C(c2cncc(F)c2)CC1 ZINC000378554071 499531262 /nfs/dbraw/zinc/53/12/62/499531262.db2.gz APUJCXACQSIABO-UHFFFAOYSA-N 1 2 352.417 3.409 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)c3nc([C@H](C)OC)ns3)CC2)cc1 ZINC000375695926 499546387 /nfs/dbraw/zinc/54/63/87/499546387.db2.gz FWXHLCQGWSNWRI-ZDUSSCGKSA-N 1 2 362.499 3.359 20 10 FGCDLO Cc1nc(CN(C)[C@@H]2CCC[N@H+](Cc3cccc(Cl)c3O)CC2)no1 ZINC000377370965 499684306 /nfs/dbraw/zinc/68/43/06/499684306.db2.gz GAKYQMGXYXMLNP-OAHLLOKOSA-N 1 2 364.877 3.224 20 10 FGCDLO Cc1nc(CN(C)[C@@H]2CCC[N@@H+](Cc3cccc(Cl)c3O)CC2)no1 ZINC000377370965 499684308 /nfs/dbraw/zinc/68/43/08/499684308.db2.gz GAKYQMGXYXMLNP-OAHLLOKOSA-N 1 2 364.877 3.224 20 10 FGCDLO COC(=O)[C@H](Cc1ccc(F)cc1)[NH2+]Cc1c(C)c2ccccc2n1C ZINC000481565736 501816668 /nfs/dbraw/zinc/81/66/68/501816668.db2.gz QLJSVJGWCMDPCC-SFHVURJKSA-N 1 2 354.425 3.500 20 10 FGCDLO CCn1ncc(C[NH2+][C@H](C)c2cc(Br)cc(Cl)c2O)n1 ZINC000527924046 503999775 /nfs/dbraw/zinc/99/97/75/503999775.db2.gz NUMLQIXBTBTENI-MRVPVSSYSA-N 1 2 359.655 3.270 20 10 FGCDLO O=C1/C(=C/c2ccc(-n3cc[nH+]c3)cc2)SC(=S)N1Cc1ccon1 ZINC000130346654 700800052 /nfs/dbraw/zinc/80/00/52/700800052.db2.gz ROIWAYKGUHEKKO-DHDCSXOGSA-N 1 2 368.443 3.262 20 10 FGCDLO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1cc(Cl)cc(C(C)=O)c1O ZINC000177167816 705610412 /nfs/dbraw/zinc/61/04/12/705610412.db2.gz KHMLFQQOASNMKE-INIZCTEOSA-N 1 2 352.862 3.081 20 10 FGCDLO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1cc(Cl)cc(C(C)=O)c1O ZINC000177167816 705610417 /nfs/dbraw/zinc/61/04/17/705610417.db2.gz KHMLFQQOASNMKE-INIZCTEOSA-N 1 2 352.862 3.081 20 10 FGCDLO C[C@H]([NH2+]CCOC[C@@H]1CCCO1)c1cc(Br)cc(F)c1O ZINC000756582894 722967154 /nfs/dbraw/zinc/96/71/54/722967154.db2.gz KDIGWRUDFKSYTE-JQWIXIFHSA-N 1 2 362.239 3.140 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@@H](C)O[C@@]3(CCCOC3)C2)c1O ZINC000796606039 723646167 /nfs/dbraw/zinc/64/61/67/723646167.db2.gz ATONETWDKREANJ-XIKOKIGWSA-N 1 2 353.846 3.018 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@@H](C)O[C@@]3(CCCOC3)C2)c1O ZINC000796606039 723646169 /nfs/dbraw/zinc/64/61/69/723646169.db2.gz ATONETWDKREANJ-XIKOKIGWSA-N 1 2 353.846 3.018 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c1O ZINC000769900590 723699819 /nfs/dbraw/zinc/69/98/19/723699819.db2.gz QFZQACVQBGTVDO-MEBBXXQBSA-N 1 2 365.779 3.383 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c1O ZINC000769900590 723699820 /nfs/dbraw/zinc/69/98/20/723699820.db2.gz QFZQACVQBGTVDO-MEBBXXQBSA-N 1 2 365.779 3.383 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)c1O ZINC000797527240 723830721 /nfs/dbraw/zinc/83/07/21/723830721.db2.gz DWIXDALDJAKESZ-JMERFSKESA-N 1 2 367.873 3.407 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)c1O ZINC000797527240 723830722 /nfs/dbraw/zinc/83/07/22/723830722.db2.gz DWIXDALDJAKESZ-JMERFSKESA-N 1 2 367.873 3.407 20 10 FGCDLO O=C(CC1CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1)N1CCCC1 ZINC000775658503 724017604 /nfs/dbraw/zinc/01/76/04/724017604.db2.gz MUYYAVLAQZTJFJ-UHFFFAOYSA-N 1 2 354.853 3.409 20 10 FGCDLO CC[C@H]([NH2+][C@@H](CC(C)C)C(=O)NCCOC)c1cccc(Cl)c1O ZINC000806155634 725118710 /nfs/dbraw/zinc/11/87/10/725118710.db2.gz SMYHWNDTCDXVGE-HOTGVXAUSA-N 1 2 356.894 3.264 20 10 FGCDLO COC(=O)c1cc(C(C)(C)[NH2+]Cc2cc(Cl)cc(C(C)=O)c2O)no1 ZINC000810050178 725284806 /nfs/dbraw/zinc/28/48/06/725284806.db2.gz QQERBKDSJWAQJS-UHFFFAOYSA-N 1 2 366.801 3.048 20 10 FGCDLO COc1ccc2c(c1)C[C@@H](C(C)C)C[N@H+]2CC[C@H]1CCS(=O)(=O)C1 ZINC000817297752 727238010 /nfs/dbraw/zinc/23/80/10/727238010.db2.gz AFTLRVBLTHUKNG-DOTOQJQBSA-N 1 2 351.512 3.155 20 10 FGCDLO COc1ccc2c(c1)C[C@@H](C(C)C)C[N@@H+]2CC[C@H]1CCS(=O)(=O)C1 ZINC000817297752 727238013 /nfs/dbraw/zinc/23/80/13/727238013.db2.gz AFTLRVBLTHUKNG-DOTOQJQBSA-N 1 2 351.512 3.155 20 10 FGCDLO CC[C@H]([NH2+]Cc1cc(Br)cc(Br)c1O)[C@@H](C)O ZINC000824921373 729365199 /nfs/dbraw/zinc/36/51/99/729365199.db2.gz KQFQMZMEUJXPSX-HQJQHLMTSA-N 1 2 367.081 3.166 20 10 FGCDLO C[N@H+](Cc1csc(C(C)(C)O)n1)Cc1cc(Br)ccc1O ZINC000825153268 729373069 /nfs/dbraw/zinc/37/30/69/729373069.db2.gz KEPCPGSOCXOQHX-UHFFFAOYSA-N 1 2 371.300 3.471 20 10 FGCDLO C[N@@H+](Cc1csc(C(C)(C)O)n1)Cc1cc(Br)ccc1O ZINC000825153268 729373070 /nfs/dbraw/zinc/37/30/70/729373070.db2.gz KEPCPGSOCXOQHX-UHFFFAOYSA-N 1 2 371.300 3.471 20 10 FGCDLO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000826894645 729418243 /nfs/dbraw/zinc/41/82/43/729418243.db2.gz SFJKSKUZUJMWHG-ZJUUUORDSA-N 1 2 369.742 3.358 20 10 FGCDLO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000826894645 729418244 /nfs/dbraw/zinc/41/82/44/729418244.db2.gz SFJKSKUZUJMWHG-ZJUUUORDSA-N 1 2 369.742 3.358 20 10 FGCDLO Cc1cc(C(=O)C[NH+]2CCC(C)(O)CC2)c(C)n1-c1ccc(Cl)cn1 ZINC000828047116 729439093 /nfs/dbraw/zinc/43/90/93/729439093.db2.gz FVWKKFFXZJSMEK-UHFFFAOYSA-N 1 2 361.873 3.172 20 10 FGCDLO CC[N@H+](CC(=O)c1cc(C)n(-c2ccc(Cl)cn2)c1C)[C@@H]1CCOC1 ZINC000829973548 729526764 /nfs/dbraw/zinc/52/67/64/729526764.db2.gz GTFUMRSAFDQGCS-MRXNPFEDSA-N 1 2 361.873 3.436 20 10 FGCDLO CC[N@@H+](CC(=O)c1cc(C)n(-c2ccc(Cl)cn2)c1C)[C@@H]1CCOC1 ZINC000829973548 729526765 /nfs/dbraw/zinc/52/67/65/729526765.db2.gz GTFUMRSAFDQGCS-MRXNPFEDSA-N 1 2 361.873 3.436 20 10 FGCDLO CC[C@H]([NH2+][C@H](C)c1cc(Br)cc(F)c1O)[C@@H](O)C(F)F ZINC000834876084 729841218 /nfs/dbraw/zinc/84/12/18/729841218.db2.gz YEMOXSANYIYIKQ-MDSUWVFBSA-N 1 2 356.182 3.349 20 10 FGCDLO COc1cccnc1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000834906311 729845334 /nfs/dbraw/zinc/84/53/34/729845334.db2.gz OVWSTTWEIXRNNV-AWEZNQCLSA-N 1 2 361.873 3.431 20 10 FGCDLO COc1cc(O)c(C[N@H+]([C@@H](C)C(=O)OC(C)(C)C)C2CC2)cc1OC ZINC000840957037 730197030 /nfs/dbraw/zinc/19/70/30/730197030.db2.gz HSTMXYPNGJNYNV-LBPRGKRZSA-N 1 2 351.443 3.104 20 10 FGCDLO COc1cc(O)c(C[N@@H+]([C@@H](C)C(=O)OC(C)(C)C)C2CC2)cc1OC ZINC000840957037 730197032 /nfs/dbraw/zinc/19/70/32/730197032.db2.gz HSTMXYPNGJNYNV-LBPRGKRZSA-N 1 2 351.443 3.104 20 10 FGCDLO O=C(NC1CC1)[C@H]1Cc2ccccc2C[N@H+]1Cc1cc(Cl)ccc1O ZINC000846000686 730917558 /nfs/dbraw/zinc/91/75/58/730917558.db2.gz XJHCWIZGGVDDPQ-GOSISDBHSA-N 1 2 356.853 3.251 20 10 FGCDLO O=C(NC1CC1)[C@H]1Cc2ccccc2C[N@@H+]1Cc1cc(Cl)ccc1O ZINC000846000686 730917559 /nfs/dbraw/zinc/91/75/59/730917559.db2.gz XJHCWIZGGVDDPQ-GOSISDBHSA-N 1 2 356.853 3.251 20 10 FGCDLO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2cccc(Br)c2O)cn1 ZINC000850385023 731350979 /nfs/dbraw/zinc/35/09/79/731350979.db2.gz WORQYWKGCQDJPZ-XJKSGUPXSA-N 1 2 364.287 3.389 20 10 FGCDLO Oc1c(F)cc(Br)cc1C[NH2+][C@@H]1CCN(c2ccccn2)C1 ZINC000883074542 737518447 /nfs/dbraw/zinc/51/84/47/737518447.db2.gz BQAOXEUKWHYWNA-CYBMUJFWSA-N 1 2 366.234 3.057 20 10 FGCDLO CN(C)c1cccnc1C[NH2+]Cc1cc(Br)cc(F)c1O ZINC000883122665 737526646 /nfs/dbraw/zinc/52/66/46/737526646.db2.gz VLKOTUKROUHKFF-UHFFFAOYSA-N 1 2 354.223 3.045 20 10 FGCDLO Cn1ccnc1[C@H]1CC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000894780055 742332817 /nfs/dbraw/zinc/33/28/17/742332817.db2.gz VZYWHYLBKMZLRK-JTQLQIEISA-N 1 2 354.223 3.017 20 10 FGCDLO Cn1ccnc1[C@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000894780055 742332824 /nfs/dbraw/zinc/33/28/24/742332824.db2.gz VZYWHYLBKMZLRK-JTQLQIEISA-N 1 2 354.223 3.017 20 10 FGCDLO Oc1c(Br)cc(Br)cc1C[NH2+]CC1CSC1 ZINC000895421661 742410284 /nfs/dbraw/zinc/41/02/84/742410284.db2.gz SBPNSMKPINKKPC-UHFFFAOYSA-N 1 2 367.106 3.370 20 10 FGCDLO O=S(=O)(Nc1cccc(C[NH2+]Cc2cccc(Cl)c2O)c1)C1CC1 ZINC000898292086 742770803 /nfs/dbraw/zinc/77/08/03/742770803.db2.gz XUHBGZPXULCEJG-UHFFFAOYSA-N 1 2 366.870 3.240 20 10 FGCDLO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000898478857 742798468 /nfs/dbraw/zinc/79/84/68/742798468.db2.gz KSXHRTRCXAXPAK-SKDRFNHKSA-N 1 2 360.223 3.115 20 10 FGCDLO COc1ccc(O)c(CNC(=O)Nc2cccc(-c3[nH+]ccn3C)c2)c1 ZINC000077445949 494085131 /nfs/dbraw/zinc/08/51/31/494085131.db2.gz DJHUOJZHCBTVMZ-UHFFFAOYSA-N 1 2 352.394 3.123 20 10 FGCDLO C[N@H+](Cc1nc(-c2ccccc2)no1)Cc1ccc(N2CCOCC2)cc1 ZINC000015571764 494359823 /nfs/dbraw/zinc/35/98/23/494359823.db2.gz MTBNBGNHEARDKE-UHFFFAOYSA-N 1 2 364.449 3.205 20 10 FGCDLO C[N@@H+](Cc1nc(-c2ccccc2)no1)Cc1ccc(N2CCOCC2)cc1 ZINC000015571764 494359829 /nfs/dbraw/zinc/35/98/29/494359829.db2.gz MTBNBGNHEARDKE-UHFFFAOYSA-N 1 2 364.449 3.205 20 10 FGCDLO COc1cccc(C[N@@H+]2Cc3ccccc3C[C@@H]2c2nnc(C)o2)c1O ZINC000092355873 494605640 /nfs/dbraw/zinc/60/56/40/494605640.db2.gz ZQIITOITYKYIKN-QGZVFWFLSA-N 1 2 351.406 3.392 20 10 FGCDLO COc1cccc(C[N@H+]2Cc3ccccc3C[C@@H]2c2nnc(C)o2)c1O ZINC000092355873 494605641 /nfs/dbraw/zinc/60/56/41/494605641.db2.gz ZQIITOITYKYIKN-QGZVFWFLSA-N 1 2 351.406 3.392 20 10 FGCDLO Oc1ccccc1C[N@@H+](Cc1nnc(C2CC2)n1C1CC1)C[C@@H]1CCCO1 ZINC000181461179 496407066 /nfs/dbraw/zinc/40/70/66/496407066.db2.gz UUJHQRBIWWJWCN-SFHVURJKSA-N 1 2 368.481 3.377 20 10 FGCDLO Oc1ccccc1C[N@H+](Cc1nnc(C2CC2)n1C1CC1)C[C@@H]1CCCO1 ZINC000181461179 496407074 /nfs/dbraw/zinc/40/70/74/496407074.db2.gz UUJHQRBIWWJWCN-SFHVURJKSA-N 1 2 368.481 3.377 20 10 FGCDLO C[C@H]([NH2+][C@@H](CN1CCCC1=O)c1ccccc1)c1cc([N+](=O)[O-])ccc1O ZINC000273302359 496768449 /nfs/dbraw/zinc/76/84/49/496768449.db2.gz BSRXVCNTPAZQEA-KSSFIOAISA-N 1 2 369.421 3.315 20 10 FGCDLO CN(C)c1ccc(C[NH2+]Cc2c(Cl)cccc2S(C)(=O)=O)cc1F ZINC000273418451 496802092 /nfs/dbraw/zinc/80/20/92/496802092.db2.gz OGHDGEURTVXNFG-UHFFFAOYSA-N 1 2 370.877 3.238 20 10 FGCDLO Cc1cc(NCc2ccc(N3CCC(CO)CC3)cc2)nc(C2CC2)[nH+]1 ZINC000264688081 496963532 /nfs/dbraw/zinc/96/35/32/496963532.db2.gz YPOBTQXEXDTOSE-UHFFFAOYSA-N 1 2 352.482 3.483 20 10 FGCDLO COc1cc(O)c(C[N@@H+]2CCc3c(ncn3-c3ccccc3)C2)cc1OC ZINC000272124706 497542003 /nfs/dbraw/zinc/54/20/03/497542003.db2.gz UDMNJCOPUIGANM-UHFFFAOYSA-N 1 2 365.433 3.153 20 10 FGCDLO COc1cc(O)c(C[N@H+]2CCc3c(ncn3-c3ccccc3)C2)cc1OC ZINC000272124706 497542008 /nfs/dbraw/zinc/54/20/08/497542008.db2.gz UDMNJCOPUIGANM-UHFFFAOYSA-N 1 2 365.433 3.153 20 10 FGCDLO CC[C@H]([NH2+]Cc1nc(COc2ccccc2)n[nH]1)c1ccc(F)cc1O ZINC000286154638 498307994 /nfs/dbraw/zinc/30/79/94/498307994.db2.gz PAAUHKJBHAHTCN-INIZCTEOSA-N 1 2 356.401 3.469 20 10 FGCDLO COc1c(O)c(C[NH2+][C@@H]2c3ccccc3CC[C@H]2N(C)C)ccc1[N+](=O)[O-] ZINC000365324092 498406398 /nfs/dbraw/zinc/40/63/98/498406398.db2.gz MSEMCWRKAPFPQR-SJLPKXTDSA-N 1 2 371.437 3.016 20 10 FGCDLO COc1c(O)c(CN[C@@H]2c3ccccc3CC[C@H]2[NH+](C)C)ccc1[N+](=O)[O-] ZINC000365324092 498406404 /nfs/dbraw/zinc/40/64/04/498406404.db2.gz MSEMCWRKAPFPQR-SJLPKXTDSA-N 1 2 371.437 3.016 20 10 FGCDLO CCCC[N@H+](Cc1csc(CS(C)(=O)=O)n1)Cc1ccccc1O ZINC000282461833 498521214 /nfs/dbraw/zinc/52/12/14/498521214.db2.gz MVBAUQHWMZZBFD-UHFFFAOYSA-N 1 2 368.524 3.196 20 10 FGCDLO CCCC[N@@H+](Cc1csc(CS(C)(=O)=O)n1)Cc1ccccc1O ZINC000282461833 498521218 /nfs/dbraw/zinc/52/12/18/498521218.db2.gz MVBAUQHWMZZBFD-UHFFFAOYSA-N 1 2 368.524 3.196 20 10 FGCDLO Oc1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000282825329 498668695 /nfs/dbraw/zinc/66/86/95/498668695.db2.gz NPGJUUVRYZFWPN-ZBEGNZNMSA-N 1 2 360.281 3.356 20 10 FGCDLO Oc1c(Cl)cc(Cl)cc1C[NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000282825319 498669633 /nfs/dbraw/zinc/66/96/33/498669633.db2.gz NPGJUUVRYZFWPN-BDJLRTHQSA-N 1 2 360.281 3.356 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)[C@H](C)c3cccnc3)CC2)cc1 ZINC000363302885 498753176 /nfs/dbraw/zinc/75/31/76/498753176.db2.gz LVUUFZGOJFTRKC-MRXNPFEDSA-N 1 2 353.466 3.321 20 10 FGCDLO C[N@H+](Cc1ccc(S(C)(=O)=O)cc1)Cc1cc(Cl)c(F)cc1O ZINC000295511648 499039153 /nfs/dbraw/zinc/03/91/53/499039153.db2.gz ZHYCQCDRTBRSCA-UHFFFAOYSA-N 1 2 357.834 3.220 20 10 FGCDLO C[N@@H+](Cc1ccc(S(C)(=O)=O)cc1)Cc1cc(Cl)c(F)cc1O ZINC000295511648 499039158 /nfs/dbraw/zinc/03/91/58/499039158.db2.gz ZHYCQCDRTBRSCA-UHFFFAOYSA-N 1 2 357.834 3.220 20 10 FGCDLO CCCN(Cc1ccccc1O)C(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000371254907 499302972 /nfs/dbraw/zinc/30/29/72/499302972.db2.gz AYQOIIVLTSLDPE-MRXNPFEDSA-N 1 2 356.470 3.396 20 10 FGCDLO Cc1nn(CC(F)(F)F)c(C)c1[C@H]1COCC[N@@H+]1Cc1ccccc1O ZINC000371677885 499354152 /nfs/dbraw/zinc/35/41/52/499354152.db2.gz WRKMVAQHUOAFTE-OAHLLOKOSA-N 1 2 369.387 3.341 20 10 FGCDLO Cc1nn(CC(F)(F)F)c(C)c1[C@H]1COCC[N@H+]1Cc1ccccc1O ZINC000371677885 499354153 /nfs/dbraw/zinc/35/41/53/499354153.db2.gz WRKMVAQHUOAFTE-OAHLLOKOSA-N 1 2 369.387 3.341 20 10 FGCDLO C[C@H]([NH2+][C@@H]1CCN(c2ccn(C)n2)C1)c1ccc(Cl)c(Cl)c1O ZINC000371877660 499374573 /nfs/dbraw/zinc/37/45/73/499374573.db2.gz XYWBKHVPPXYWOS-WDEREUQCSA-N 1 2 355.269 3.362 20 10 FGCDLO CN(C)c1ccc(C2=CCN(C(=O)NCc3ccn4cc[nH+]c4c3)C2)cc1 ZINC000371994593 499387961 /nfs/dbraw/zinc/38/79/61/499387961.db2.gz UXCNABMTOYBGDT-UHFFFAOYSA-N 1 2 361.449 3.009 20 10 FGCDLO CCc1nc(CC(=O)N(C)C2CC[NH+](c3ccc(OC)cc3)CC2)cs1 ZINC000377490899 499696510 /nfs/dbraw/zinc/69/65/10/499696510.db2.gz YQLDTQHGXLAKDJ-UHFFFAOYSA-N 1 2 373.522 3.384 20 10 FGCDLO CO[C@H](C)C[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000191204774 712831922 /nfs/dbraw/zinc/83/19/22/712831922.db2.gz ZMXKJTWNDWNVQB-SSDOTTSWSA-N 1 2 353.054 3.042 20 10 FGCDLO Cc1cccn2c(/C=C3\SC(=S)N(c4cccnc4)C3=O)c[nH+]c12 ZINC000125267148 700733728 /nfs/dbraw/zinc/73/37/28/700733728.db2.gz QHBWOGAPGGYURO-ZSOIEALJSA-N 1 2 352.444 3.444 20 10 FGCDLO COCC[NH2+][C@@H](C)c1cc(Br)cc(Br)c1O ZINC000134905871 704833931 /nfs/dbraw/zinc/83/39/31/704833931.db2.gz DKAIRIZMYRFHTG-ZETCQYMHSA-N 1 2 353.054 3.214 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCN(c3cccc(O)c3)CC2)c1O ZINC000176890123 705595569 /nfs/dbraw/zinc/59/55/69/705595569.db2.gz XKIWEGHXJRLUCW-UHFFFAOYSA-N 1 2 360.841 3.276 20 10 FGCDLO COc1c(C)c[nH+]c(CNC(=S)Nc2cccc(NC(C)=O)c2)c1C ZINC000747619011 722652967 /nfs/dbraw/zinc/65/29/67/722652967.db2.gz SLKXYRPNWRNHKZ-UHFFFAOYSA-N 1 2 358.467 3.152 20 10 FGCDLO CS(=O)(=O)CC[N@H+](Cc1cc2oc3ccccc3c2cc1O)C1CC1 ZINC000753808231 722914072 /nfs/dbraw/zinc/91/40/72/722914072.db2.gz GXYCCWNGMLXKIL-UHFFFAOYSA-N 1 2 359.447 3.301 20 10 FGCDLO CS(=O)(=O)CC[N@@H+](Cc1cc2oc3ccccc3c2cc1O)C1CC1 ZINC000753808231 722914074 /nfs/dbraw/zinc/91/40/74/722914074.db2.gz GXYCCWNGMLXKIL-UHFFFAOYSA-N 1 2 359.447 3.301 20 10 FGCDLO C[C@@H]([NH2+]CCN(C)CC(F)(F)F)c1cc(Br)cc(F)c1O ZINC000756568423 722966999 /nfs/dbraw/zinc/96/69/99/722966999.db2.gz DYUBPJYEQSNIQC-MRVPVSSYSA-N 1 2 373.188 3.439 20 10 FGCDLO C[C@H]([NH2+]CCOc1cccnc1)c1cc(Br)cc(F)c1O ZINC000756570942 722967093 /nfs/dbraw/zinc/96/70/93/722967093.db2.gz GVUPLROMCSYLSX-JTQLQIEISA-N 1 2 355.207 3.418 20 10 FGCDLO Cc1noc(CCC[NH2+][C@@H](C)c2cc(Br)cc(F)c2O)n1 ZINC000756683464 722968684 /nfs/dbraw/zinc/96/86/84/722968684.db2.gz HXBJRDKNPXRHDE-QMMMGPOBSA-N 1 2 358.211 3.269 20 10 FGCDLO Cc1noc(CCC[NH2+][C@@H](C)c2cc(Br)c(F)cc2O)n1 ZINC000756686104 722968696 /nfs/dbraw/zinc/96/86/96/722968696.db2.gz REPXHFXBYOUAFP-QMMMGPOBSA-N 1 2 358.211 3.269 20 10 FGCDLO CCc1nnc([C@@H](C)[NH2+][C@@H](C)c2cc(Br)c(F)cc2O)[nH]1 ZINC000756779207 722969976 /nfs/dbraw/zinc/96/99/76/722969976.db2.gz RAOQPSPQKXRYNN-JGVFFNPUSA-N 1 2 357.227 3.386 20 10 FGCDLO CCNC(=O)C(C)(C)C[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000756858232 722970836 /nfs/dbraw/zinc/97/08/36/722970836.db2.gz SHUINZCEUSGFLY-SECBINFHSA-N 1 2 361.255 3.107 20 10 FGCDLO CC(=O)N1CCC[C@H](C[NH2+][C@H](C)c2cc(Br)cc(F)c2O)C1 ZINC000794837769 723548475 /nfs/dbraw/zinc/54/84/75/723548475.db2.gz ZIERBLZBZMPALS-ZYHUDNBSSA-N 1 2 373.266 3.203 20 10 FGCDLO C[C@H]1C[N@H+](Cc2cc(Br)ccc2O)CCN1CC(F)(F)F ZINC000770390135 723712821 /nfs/dbraw/zinc/71/28/21/723712821.db2.gz KKFXFRZEFZMQGC-JTQLQIEISA-N 1 2 367.209 3.223 20 10 FGCDLO C[C@H]1C[N@@H+](Cc2cc(Br)ccc2O)CCN1CC(F)(F)F ZINC000770390135 723712823 /nfs/dbraw/zinc/71/28/23/723712823.db2.gz KKFXFRZEFZMQGC-JTQLQIEISA-N 1 2 367.209 3.223 20 10 FGCDLO C[C@H]([NH2+]CC1([S@@](C)=O)CCC1)c1cc(Br)c(F)cc1O ZINC000798004981 723897731 /nfs/dbraw/zinc/89/77/31/723897731.db2.gz REACCAMENGFBMZ-GWNMQOMSSA-N 1 2 364.280 3.246 20 10 FGCDLO COc1cccc(F)c1[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000775021588 723953016 /nfs/dbraw/zinc/95/30/16/723953016.db2.gz PYKBUCGXFCOIQT-SNVBAGLBSA-N 1 2 350.346 3.308 20 10 FGCDLO COc1cc(C)[nH+]c(/C=C2/SC(=S)N(c3ccc(OC)nc3)C2=O)c1 ZINC000776727334 724174737 /nfs/dbraw/zinc/17/47/37/724174737.db2.gz WGQHEWFBFVUQOT-RIYZIHGNSA-N 1 2 373.459 3.208 20 10 FGCDLO COc1cc(C)[nH+]c(/C=C2\SC(=S)N(CCc3cccnc3)C2=O)c1 ZINC000776725458 724174875 /nfs/dbraw/zinc/17/48/75/724174875.db2.gz BGCZMJCIICMIHX-YBEGLDIGSA-N 1 2 371.487 3.238 20 10 FGCDLO CC(Cl)(Cl)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000777420757 724224229 /nfs/dbraw/zinc/22/42/29/724224229.db2.gz VMARCWUKNWATLD-GFCCVEGCSA-N 1 2 365.688 3.320 20 10 FGCDLO CC(Cl)(Cl)C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000777420757 724224231 /nfs/dbraw/zinc/22/42/31/724224231.db2.gz VMARCWUKNWATLD-GFCCVEGCSA-N 1 2 365.688 3.320 20 10 FGCDLO C[C@@H]([NH2+][C@@H](C)[C@H](O)c1ccc2c(c1)OCO2)c1cc(F)cc(F)c1O ZINC000787008963 725012753 /nfs/dbraw/zinc/01/27/53/725012753.db2.gz FDVFVSCIEAOZMU-KEYDSSBGSA-N 1 2 351.349 3.172 20 10 FGCDLO CCOC(=O)c1csc(CC[NH2+]Cc2cc(Cl)cc(F)c2O)n1 ZINC000787417001 725027796 /nfs/dbraw/zinc/02/77/96/725027796.db2.gz GQPVRJOKZWKHJB-UHFFFAOYSA-N 1 2 358.822 3.150 20 10 FGCDLO C[C@@H]([NH2+][C@@H]1CC(=O)N(c2ccccc2F)C1)c1cc(F)cc(F)c1O ZINC000812741167 726807345 /nfs/dbraw/zinc/80/73/45/726807345.db2.gz RQURDTYFCROVAP-ZYHUDNBSSA-N 1 2 350.340 3.266 20 10 FGCDLO CC(C)C[C@H](C(=O)NCc1cc(Br)ccc1O)n1cc[nH+]c1 ZINC000822898624 729230086 /nfs/dbraw/zinc/23/00/86/729230086.db2.gz KVPJOWHBKLNYJT-CQSZACIVSA-N 1 2 366.259 3.255 20 10 FGCDLO Cc1[nH+]cc2n1C[C@@H](C(=O)NCc1cc(Cl)cc(Cl)c1O)CC2 ZINC000846159528 730932640 /nfs/dbraw/zinc/93/26/40/730932640.db2.gz HFWQSKFPANEPHO-JTQLQIEISA-N 1 2 354.237 3.083 20 10 FGCDLO C[C@@H]([NH2+][C@@H]1CCN(C2CCC2)C1=O)c1cc(Br)cc(F)c1O ZINC000858602595 732230988 /nfs/dbraw/zinc/23/09/88/732230988.db2.gz DECVDXGXJRGSON-YMTOWFKASA-N 1 2 371.250 3.098 20 10 FGCDLO CC[C@H]([NH2+]Cc1nnc(C2CCOCC2)[nH]1)c1cc(Cl)ccc1O ZINC000866439943 733349706 /nfs/dbraw/zinc/34/97/06/733349706.db2.gz ARGSCUQTVZKNPT-AWEZNQCLSA-N 1 2 350.850 3.299 20 10 FGCDLO CN(C)C(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000883002778 737510587 /nfs/dbraw/zinc/51/05/87/737510587.db2.gz OOGGMCPUZBYDEL-ZWNOBZJWSA-N 1 2 373.266 3.030 20 10 FGCDLO COc1ccccc1[C@H](CO)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000883004692 737511048 /nfs/dbraw/zinc/51/10/48/737511048.db2.gz RXYUGODTDIYVOD-AWEZNQCLSA-N 1 2 370.218 3.126 20 10 FGCDLO CC[C@H]([NH2+]Cc1nc(CSC)n[nH]1)c1cc(Br)ccc1O ZINC000886757342 739292127 /nfs/dbraw/zinc/29/21/27/739292127.db2.gz DPKBWTISFDRGET-NSHDSACASA-N 1 2 371.304 3.377 20 10 FGCDLO CC(=O)NCC[C@@H]1CCC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000894781139 742332379 /nfs/dbraw/zinc/33/23/79/742332379.db2.gz OFEVMBVBTJMYTO-LBPRGKRZSA-N 1 2 373.266 3.032 20 10 FGCDLO CC(=O)NCC[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000894781139 742332385 /nfs/dbraw/zinc/33/23/85/742332385.db2.gz OFEVMBVBTJMYTO-LBPRGKRZSA-N 1 2 373.266 3.032 20 10 FGCDLO C[C@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@@H]1n1cc[nH+]c1 ZINC000896980947 742626015 /nfs/dbraw/zinc/62/60/15/742626015.db2.gz PSWTYVBPKUAZRZ-AAEUAGOBSA-N 1 2 357.435 3.232 20 10 FGCDLO COc1cc(C[NH2+]Cc2cccc(Cl)c2O)c([N+](=O)[O-])cc1OC ZINC000898220166 742761030 /nfs/dbraw/zinc/76/10/30/742761030.db2.gz WLDNCKYPQRXTHQ-UHFFFAOYSA-N 1 2 352.774 3.261 20 10 FGCDLO C[C@@H]([NH2+]Cc1csc(N)n1)c1ccc(N2CCOCC2)cc1Cl ZINC000902487058 743748732 /nfs/dbraw/zinc/74/87/32/743748732.db2.gz AYPDWHMVSYJTOY-LLVKDONJSA-N 1 2 352.891 3.066 20 10 FGCDLO C[C@H]([NH2+]Cc1csc(N)n1)c1ccc(N2CCOCC2)cc1Cl ZINC000902487077 743748782 /nfs/dbraw/zinc/74/87/82/743748782.db2.gz AYPDWHMVSYJTOY-NSHDSACASA-N 1 2 352.891 3.066 20 10 FGCDLO C[C@@H]([NH2+][C@H]1CCOC12CCOCC2)c1cc(Br)cc(F)c1O ZINC000903388091 743843545 /nfs/dbraw/zinc/84/35/45/743843545.db2.gz BOHJAMNZEJEIIV-YGRLFVJLSA-N 1 2 374.250 3.283 20 10 FGCDLO CCCN(Cc1ccccc1O)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000066698579 494388294 /nfs/dbraw/zinc/38/82/94/494388294.db2.gz XXYIQFFVUVADJW-UHFFFAOYSA-N 1 2 352.438 3.204 20 10 FGCDLO CCOc1cccc(C[NH+]2CCN(C(=O)c3ccc(C)s3)CC2)c1O ZINC000092379710 494609917 /nfs/dbraw/zinc/60/99/17/494609917.db2.gz SWHCATXGEXNRFP-UHFFFAOYSA-N 1 2 360.479 3.119 20 10 FGCDLO Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1C(=O)c1cccc(O)c1O ZINC000279791097 497543023 /nfs/dbraw/zinc/54/30/23/497543023.db2.gz ITANDSGBNOESFD-AWEZNQCLSA-N 1 2 351.406 3.061 20 10 FGCDLO COC(=O)/C=C\c1ccc(N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)c([N+](=O)[O-])c1 ZINC000296190651 497949677 /nfs/dbraw/zinc/94/96/77/497949677.db2.gz DOALMGZEOAVOIW-QLBOMPFWSA-N 1 2 370.409 3.102 20 10 FGCDLO C[C@H]([NH2+][C@@H](C(N)=O)c1ccccn1)c1ccc(N2CCCCCC2)cc1 ZINC000297417834 498442513 /nfs/dbraw/zinc/44/25/13/498442513.db2.gz UMAMSGRXXRWWRC-OXJNMPFZSA-N 1 2 352.482 3.339 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)COc3ccccc3)CC2)cc1 ZINC000363326100 498763529 /nfs/dbraw/zinc/76/35/29/498763529.db2.gz PZSGIBGJPKSVFI-UHFFFAOYSA-N 1 2 354.450 3.201 20 10 FGCDLO CC[C@@H]([NH2+]Cc1cccc(S(=O)(=O)NC)c1)c1cccc(Cl)c1O ZINC000287904069 498898445 /nfs/dbraw/zinc/89/84/45/498898445.db2.gz ZTBZQSYBSHJJST-MRXNPFEDSA-N 1 2 368.886 3.195 20 10 FGCDLO Cc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)s1 ZINC000299238209 499002922 /nfs/dbraw/zinc/00/29/22/499002922.db2.gz JXCIYSUONUGLRL-CQSZACIVSA-N 1 2 360.527 3.135 20 10 FGCDLO Cc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)s1 ZINC000299238209 499002933 /nfs/dbraw/zinc/00/29/33/499002933.db2.gz JXCIYSUONUGLRL-CQSZACIVSA-N 1 2 360.527 3.135 20 10 FGCDLO Cc1nc(CN2CC[NH+](Cc3cc(Cl)c(F)cc3O)CC2)oc1C ZINC000295484298 499031503 /nfs/dbraw/zinc/03/15/03/499031503.db2.gz XGZGQCRFRFQTQM-UHFFFAOYSA-N 1 2 353.825 3.107 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)c3cc(N)ccc3C)CC2)cc1 ZINC000373516848 499474481 /nfs/dbraw/zinc/47/44/81/499474481.db2.gz TWQNBJMOLKZWJY-UHFFFAOYSA-N 1 2 353.466 3.327 20 10 FGCDLO COc1c(O)c(C[NH2+][C@@H](C)c2nccn2-c2ccccc2)ccc1[N+](=O)[O-] ZINC000377868122 499743431 /nfs/dbraw/zinc/74/34/31/499743431.db2.gz FWDYUUXMZVXMMV-ZDUSSCGKSA-N 1 2 368.393 3.346 20 10 FGCDLO COc1c(O)c(C[NH2+][C@@H]2COc3cccc(Cl)c32)ccc1[N+](=O)[O-] ZINC000377882059 499744981 /nfs/dbraw/zinc/74/49/81/499744981.db2.gz CFWZHYGUKJTVFT-LLVKDONJSA-N 1 2 350.758 3.186 20 10 FGCDLO COc1c(C)c[nH+]c(CNC(=O)NCCCSc2nccs2)c1C ZINC000152946673 704979398 /nfs/dbraw/zinc/97/93/98/704979398.db2.gz XPUVPBNLTLZIIY-UHFFFAOYSA-N 1 2 366.512 3.145 20 10 FGCDLO C[C@@H]1CCN(C(=O)NCCCSc2nccs2)C[C@H]1n1cc[nH+]c1 ZINC000154572060 705040027 /nfs/dbraw/zinc/04/00/27/705040027.db2.gz XNJROMDEMGRZCW-ZIAGYGMSSA-N 1 2 365.528 3.115 20 10 FGCDLO CCCC[N@H+](Cc1cc(Cl)cc(C(C)=O)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000177279225 705615643 /nfs/dbraw/zinc/61/56/43/705615643.db2.gz GSYQBQFOXFGYQV-OAHLLOKOSA-N 1 2 373.902 3.037 20 10 FGCDLO CCCC[N@@H+](Cc1cc(Cl)cc(C(C)=O)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000177279225 705615650 /nfs/dbraw/zinc/61/56/50/705615650.db2.gz GSYQBQFOXFGYQV-OAHLLOKOSA-N 1 2 373.902 3.037 20 10 FGCDLO Cc1nnc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2Cl)s1 ZINC000780745104 724497341 /nfs/dbraw/zinc/49/73/41/724497341.db2.gz NYYOJVUMGLOXNF-LLVKDONJSA-N 1 2 352.891 3.187 20 10 FGCDLO CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cc(C)cc(Br)c2O)C1 ZINC000781895526 724608809 /nfs/dbraw/zinc/60/88/09/724608809.db2.gz BEFHMYJEEOQXBK-CYBMUJFWSA-N 1 2 371.275 3.174 20 10 FGCDLO Cc1cc(C[N@H+](C)Cc2ncnn2CC(F)F)c(O)c(C(C)(C)C)c1 ZINC000782977624 724713793 /nfs/dbraw/zinc/71/37/93/724713793.db2.gz BDPNXFPPJCWHFA-UHFFFAOYSA-N 1 2 352.429 3.487 20 10 FGCDLO Cc1cc(C[N@@H+](C)Cc2ncnn2CC(F)F)c(O)c(C(C)(C)C)c1 ZINC000782977624 724713796 /nfs/dbraw/zinc/71/37/96/724713796.db2.gz BDPNXFPPJCWHFA-UHFFFAOYSA-N 1 2 352.429 3.487 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(N(C)CC(F)F)CC2)c1O ZINC000750055149 722753175 /nfs/dbraw/zinc/75/31/75/722753175.db2.gz ODPVJNCPRMOSMA-UHFFFAOYSA-N 1 2 360.832 3.410 20 10 FGCDLO C[C@H]([NH2+][C@H](C(N)=O)c1ccccc1)c1cc(Br)c(F)cc1O ZINC000756382063 722963658 /nfs/dbraw/zinc/96/36/58/722963658.db2.gz QPMNGMATSQIPRN-VFZGTOFNSA-N 1 2 367.218 3.171 20 10 FGCDLO C[C@H]([NH2+][C@@H]1CCCCNC1=O)c1cc(Br)cc(Cl)c1O ZINC000756397558 722963895 /nfs/dbraw/zinc/96/38/95/722963895.db2.gz UTHSQSMFFGWTGO-QPUJVOFHSA-N 1 2 361.667 3.127 20 10 FGCDLO C[C@@H]([NH2+]CCOc1cccnc1)c1cc(Br)cc(F)c1O ZINC000756570945 722967079 /nfs/dbraw/zinc/96/70/79/722967079.db2.gz GVUPLROMCSYLSX-SNVBAGLBSA-N 1 2 355.207 3.418 20 10 FGCDLO Cc1cc(Br)c(O)c(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)c1 ZINC000790933215 723195298 /nfs/dbraw/zinc/19/52/98/723195298.db2.gz YJUOHSRURLDJCD-GDZNZVCISA-N 1 2 370.287 3.231 20 10 FGCDLO Cc1cc(Br)c(O)c(C[N@H+]2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)c1 ZINC000790933215 723195304 /nfs/dbraw/zinc/19/53/04/723195304.db2.gz YJUOHSRURLDJCD-GDZNZVCISA-N 1 2 370.287 3.231 20 10 FGCDLO CCOC(=O)c1csc([C@@H]2CCC[N@@H+]2Cc2c(O)cccc2OC)n1 ZINC000792197596 723320997 /nfs/dbraw/zinc/32/09/97/723320997.db2.gz ZAGIEFPMIHMQEY-AWEZNQCLSA-N 1 2 362.451 3.371 20 10 FGCDLO CCOC(=O)c1csc([C@@H]2CCC[N@H+]2Cc2c(O)cccc2OC)n1 ZINC000792197596 723321000 /nfs/dbraw/zinc/32/10/00/723321000.db2.gz ZAGIEFPMIHMQEY-AWEZNQCLSA-N 1 2 362.451 3.371 20 10 FGCDLO Cc1cc(Br)c(O)c(C[N@@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)c1 ZINC000793365784 723430978 /nfs/dbraw/zinc/43/09/78/723430978.db2.gz OFBSPGKNWPNEHO-QGZVFWFLSA-N 1 2 370.287 3.233 20 10 FGCDLO Cc1cc(Br)c(O)c(C[N@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)c1 ZINC000793365784 723430979 /nfs/dbraw/zinc/43/09/79/723430979.db2.gz OFBSPGKNWPNEHO-QGZVFWFLSA-N 1 2 370.287 3.233 20 10 FGCDLO CC(=O)N1CCC[C@H](C[NH2+][C@@H](C)c2cc(Br)c(F)cc2O)C1 ZINC000794836045 723548367 /nfs/dbraw/zinc/54/83/67/723548367.db2.gz RKCPKUYWUOMNSD-CMPLNLGQSA-N 1 2 373.266 3.203 20 10 FGCDLO CC(=O)N1CCC[C@@H](C[NH2+][C@H](C)c2cc(Br)cc(F)c2O)C1 ZINC000794837766 723548405 /nfs/dbraw/zinc/54/84/05/723548405.db2.gz ZIERBLZBZMPALS-PWSUYJOCSA-N 1 2 373.266 3.203 20 10 FGCDLO CC[N@H+](CC(=O)NCc1ccc(F)cc1)Cc1c(O)cccc1Cl ZINC000768163271 723649049 /nfs/dbraw/zinc/64/90/49/723649049.db2.gz MRDWMLFTFQHVAQ-UHFFFAOYSA-N 1 2 350.821 3.323 20 10 FGCDLO CC[N@@H+](CC(=O)NCc1ccc(F)cc1)Cc1c(O)cccc1Cl ZINC000768163271 723649050 /nfs/dbraw/zinc/64/90/50/723649050.db2.gz MRDWMLFTFQHVAQ-UHFFFAOYSA-N 1 2 350.821 3.323 20 10 FGCDLO CCO[C@@H](C)c1nc(C[N@H+](C)Cc2cc3c(cc2O)OC[C@H]3O)cs1 ZINC000768465546 723658466 /nfs/dbraw/zinc/65/84/66/723658466.db2.gz IPKUQPVOHSQJJG-MEDUHNTESA-N 1 2 364.467 3.004 20 10 FGCDLO CCO[C@@H](C)c1nc(C[N@@H+](C)Cc2cc3c(cc2O)OC[C@H]3O)cs1 ZINC000768465546 723658467 /nfs/dbraw/zinc/65/84/67/723658467.db2.gz IPKUQPVOHSQJJG-MEDUHNTESA-N 1 2 364.467 3.004 20 10 FGCDLO Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000806652378 725139454 /nfs/dbraw/zinc/13/94/54/725139454.db2.gz WBRVBYSSWIYEMH-SNVBAGLBSA-N 1 2 371.268 3.339 20 10 FGCDLO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000809695422 725259522 /nfs/dbraw/zinc/25/95/22/725259522.db2.gz KZELEWFTZQNMMK-ZDUSSCGKSA-N 1 2 355.715 3.112 20 10 FGCDLO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000809695422 725259525 /nfs/dbraw/zinc/25/95/25/725259525.db2.gz KZELEWFTZQNMMK-ZDUSSCGKSA-N 1 2 355.715 3.112 20 10 FGCDLO Oc1c(Br)cccc1C[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000811520458 725372320 /nfs/dbraw/zinc/37/23/20/725372320.db2.gz PFPRDFTUWTYLGS-GFCCVEGCSA-N 1 2 356.651 3.452 20 10 FGCDLO Oc1c(Br)cccc1C[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000811520458 725372321 /nfs/dbraw/zinc/37/23/21/725372321.db2.gz PFPRDFTUWTYLGS-GFCCVEGCSA-N 1 2 356.651 3.452 20 10 FGCDLO C[N@H+](Cc1cc(Cl)c(F)cc1O)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000816590358 727178324 /nfs/dbraw/zinc/17/83/24/727178324.db2.gz XZOPPRAHSWGYKU-QGZVFWFLSA-N 1 2 362.832 3.418 20 10 FGCDLO C[N@@H+](Cc1cc(Cl)c(F)cc1O)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000816590358 727178327 /nfs/dbraw/zinc/17/83/27/727178327.db2.gz XZOPPRAHSWGYKU-QGZVFWFLSA-N 1 2 362.832 3.418 20 10 FGCDLO COC(=O)c1cnc(SCc2cccc(C[NH+]3CCOCC3)c2)s1 ZINC000817586169 727268365 /nfs/dbraw/zinc/26/83/65/727268365.db2.gz PNVXGZWXYPNUQY-UHFFFAOYSA-N 1 2 364.492 3.054 20 10 FGCDLO Cc1csc(N2CC[NH+](Cc3ccc(Br)cc3O)CC2)n1 ZINC000824556502 729347065 /nfs/dbraw/zinc/34/70/65/729347065.db2.gz WFKTZNHSTVBBTA-UHFFFAOYSA-N 1 2 368.300 3.242 20 10 FGCDLO Cc1cc(Br)c([O-])c(C[NH2+]CCC[NH2+]Cc2cccnc2)c1 ZINC000841041452 730205322 /nfs/dbraw/zinc/20/53/22/730205322.db2.gz GJHIAQGIYRGWQD-UHFFFAOYSA-N 1 2 364.287 3.128 20 10 FGCDLO Oc1c(F)cc(Br)cc1C[NH2+]CC1(O)CCC(F)(F)CC1 ZINC000883180978 737532696 /nfs/dbraw/zinc/53/26/96/737532696.db2.gz PNWTZZUJESOIPP-UHFFFAOYSA-N 1 2 368.193 3.324 20 10 FGCDLO Cn1ccnc1[C@H]1CCC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000894572067 742300836 /nfs/dbraw/zinc/30/08/36/742300836.db2.gz CZJQJBDQXDPYRX-NSHDSACASA-N 1 2 368.250 3.407 20 10 FGCDLO Cn1ccnc1[C@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000894572067 742300839 /nfs/dbraw/zinc/30/08/39/742300839.db2.gz CZJQJBDQXDPYRX-NSHDSACASA-N 1 2 368.250 3.407 20 10 FGCDLO CCO/C=C\[C@](O)(C[NH2+]Cc1cc(Cl)cc(F)c1O)C(F)(F)F ZINC000895709608 742444222 /nfs/dbraw/zinc/44/42/22/742444222.db2.gz HDBCQJFRKOPBTO-SCOBNMCVSA-N 1 2 357.731 3.118 20 10 FGCDLO COc1ccc([NH+]2CCC(Nc3ccc(-n4ccc(C)n4)nn3)CC2)cc1 ZINC000077962327 494206162 /nfs/dbraw/zinc/20/61/62/494206162.db2.gz WTTRHQWYSUVJKM-UHFFFAOYSA-N 1 2 364.453 3.060 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)NCc3c(C)noc3C)CC2)cc1 ZINC000066189003 494286844 /nfs/dbraw/zinc/28/68/44/494286844.db2.gz ADXDHYMVDIWEBD-UHFFFAOYSA-N 1 2 372.469 3.110 20 10 FGCDLO CCCN(Cc1ccccc1O)C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000066698492 494388171 /nfs/dbraw/zinc/38/81/71/494388171.db2.gz BQINDVTWLNUVSA-UHFFFAOYSA-N 1 2 365.437 3.095 20 10 FGCDLO CCCCc1noc([C@H](C)[N@H+](C)Cc2ccc(N3CCOCC3)cc2)n1 ZINC000133721780 495051908 /nfs/dbraw/zinc/05/19/08/495051908.db2.gz QIVBRDRZLWUOKB-INIZCTEOSA-N 1 2 358.486 3.442 20 10 FGCDLO CCCCc1noc([C@H](C)[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)n1 ZINC000133721780 495051909 /nfs/dbraw/zinc/05/19/09/495051909.db2.gz QIVBRDRZLWUOKB-INIZCTEOSA-N 1 2 358.486 3.442 20 10 FGCDLO C[C@@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccc(F)c(F)c1O ZINC000187669486 496528011 /nfs/dbraw/zinc/52/80/11/496528011.db2.gz CMZGIOSNYOPRGN-WDEREUQCSA-N 1 2 355.406 3.486 20 10 FGCDLO C[C@@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)c1ccc(F)c(F)c1O ZINC000187684792 496534076 /nfs/dbraw/zinc/53/40/76/496534076.db2.gz DDVSYVHWPDYQAB-LLVKDONJSA-N 1 2 355.406 3.066 20 10 FGCDLO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2csc([C@@H](C)OC)n2)c1 ZINC000273568818 496843166 /nfs/dbraw/zinc/84/31/66/496843166.db2.gz KGPYFMZFHOUMFY-GHMZBOCLSA-N 1 2 350.440 3.194 20 10 FGCDLO COc1c(O)c(C[N@@H+]2C[C@H](C)O[C@@H](c3ccsc3)C2)ccc1[N+](=O)[O-] ZINC000278166016 497026110 /nfs/dbraw/zinc/02/61/10/497026110.db2.gz FESOUENRGZMSTD-XHDPSFHLSA-N 1 2 364.423 3.333 20 10 FGCDLO COc1c(O)c(C[N@H+]2C[C@H](C)O[C@@H](c3ccsc3)C2)ccc1[N+](=O)[O-] ZINC000278166016 497026116 /nfs/dbraw/zinc/02/61/16/497026116.db2.gz FESOUENRGZMSTD-XHDPSFHLSA-N 1 2 364.423 3.333 20 10 FGCDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)C2 ZINC000364387774 497933974 /nfs/dbraw/zinc/93/39/74/497933974.db2.gz QVQIMXYTVVQMSL-MRXNPFEDSA-N 1 2 354.498 3.363 20 10 FGCDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)CC2 ZINC000364387774 497933978 /nfs/dbraw/zinc/93/39/78/497933978.db2.gz QVQIMXYTVVQMSL-MRXNPFEDSA-N 1 2 354.498 3.363 20 10 FGCDLO COCCn1cc(C[N@H+](Cc2ccco2)Cc2ccc(N(C)C)cc2)cn1 ZINC000289881306 498336072 /nfs/dbraw/zinc/33/60/72/498336072.db2.gz SBBUPEUHZKVPFA-UHFFFAOYSA-N 1 2 368.481 3.391 20 10 FGCDLO COCCn1cc(C[N@@H+](Cc2ccco2)Cc2ccc(N(C)C)cc2)cn1 ZINC000289881306 498336082 /nfs/dbraw/zinc/33/60/82/498336082.db2.gz SBBUPEUHZKVPFA-UHFFFAOYSA-N 1 2 368.481 3.391 20 10 FGCDLO CCOCc1nc([C@@H](C)[NH2+][C@H](C)c2cc(Br)ccc2O)no1 ZINC000290051086 498408557 /nfs/dbraw/zinc/40/85/57/498408557.db2.gz FBMSIULVILMUGL-NXEZZACHSA-N 1 2 370.247 3.486 20 10 FGCDLO CCCCN(Cc1ccccc1O)C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000282473934 498525493 /nfs/dbraw/zinc/52/54/93/498525493.db2.gz KZSORBMMXHZDDM-UHFFFAOYSA-N 1 2 350.422 3.415 20 10 FGCDLO COc1c(O)c(C[NH2+]Cc2ncc(-c3ccccc3)cn2)ccc1[N+](=O)[O-] ZINC000365824239 498656848 /nfs/dbraw/zinc/65/68/48/498656848.db2.gz MRTGSZWCFYOYDR-UHFFFAOYSA-N 1 2 366.377 3.056 20 10 FGCDLO Oc1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000282825326 498668974 /nfs/dbraw/zinc/66/89/74/498668974.db2.gz NPGJUUVRYZFWPN-MEDUHNTESA-N 1 2 360.281 3.356 20 10 FGCDLO CC[C@@H]([NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O)c1cccc(Cl)c1O ZINC000287540850 498791242 /nfs/dbraw/zinc/79/12/42/498791242.db2.gz FAQSVJKJSCNRRL-HUUCEWRRSA-N 1 2 362.861 3.015 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)c3cc(C)ccc3O)CC2)cc1 ZINC000363449471 498826573 /nfs/dbraw/zinc/82/65/73/498826573.db2.gz LEUHVGKCGMPDAA-UHFFFAOYSA-N 1 2 354.450 3.450 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)NC[C@@H](C)SC)CC2)cc1 ZINC000372822942 499180618 /nfs/dbraw/zinc/18/06/18/499180618.db2.gz SFABXRIOQXISLH-CQSZACIVSA-N 1 2 351.516 3.057 20 10 FGCDLO Oc1c(Cl)cccc1C[NH2+]Cc1nnc2n1C[C@H](C(F)(F)F)CC2 ZINC000370367696 499213751 /nfs/dbraw/zinc/21/37/51/499213751.db2.gz WJUYDOQKOIVECR-SNVBAGLBSA-N 1 2 360.767 3.052 20 10 FGCDLO COc1ccc2c(c1)[C@@H](NC(=O)OC(C)(C)C)CCN2Cc1c[nH+]cn1C ZINC000370461988 499222748 /nfs/dbraw/zinc/22/27/48/499222748.db2.gz QZVKEESMVLGHSI-KRWDZBQOSA-N 1 2 372.469 3.405 20 10 FGCDLO CC[C@@H]([NH2+][C@@H]1CCN(C(=O)c2cccnc2)C1)c1cccc(Cl)c1O ZINC000367894941 499242606 /nfs/dbraw/zinc/24/26/06/499242606.db2.gz GJKRQGASGDGHQX-RHSMWYFYSA-N 1 2 359.857 3.396 20 10 FGCDLO Cn1cc([C@@H]2[C@@H](C[NH2+]Cc3c(O)ccc(Cl)c3F)CCCN2C)cn1 ZINC000372976231 499445543 /nfs/dbraw/zinc/44/55/43/499445543.db2.gz IZDWBVAWKJFYSX-XIKOKIGWSA-N 1 2 366.868 3.091 20 10 FGCDLO C[C@]1(O)CCOC[C@H]1[C@@H]1CCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1O ZINC000375420614 499516839 /nfs/dbraw/zinc/51/68/39/499516839.db2.gz XBVLYSFZNUIRPW-QRTARXTBSA-N 1 2 360.281 3.451 20 10 FGCDLO C[C@]1(O)CCOC[C@H]1[C@@H]1CCC[N@H+]1Cc1cc(Cl)cc(Cl)c1O ZINC000375420614 499516840 /nfs/dbraw/zinc/51/68/40/499516840.db2.gz XBVLYSFZNUIRPW-QRTARXTBSA-N 1 2 360.281 3.451 20 10 FGCDLO CCN(CC)c1ccc(CNC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000376426021 499607793 /nfs/dbraw/zinc/60/77/93/499607793.db2.gz FUJWCSYEAXXREQ-SFHVURJKSA-N 1 2 369.513 3.356 20 10 FGCDLO CCn1nncc1C[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1O ZINC000527913558 503997146 /nfs/dbraw/zinc/99/71/46/503997146.db2.gz AONDXYWHURUMAU-QMMMGPOBSA-N 1 2 359.655 3.270 20 10 FGCDLO CCOC(=O)C1CCC([NH2+]Cc2cccc(Br)c2O)CC1 ZINC000048797513 695889546 /nfs/dbraw/zinc/88/95/46/695889546.db2.gz PAOXJFRVCXLCSV-UHFFFAOYSA-N 1 2 356.260 3.366 20 10 FGCDLO Oc1cccc([C@H]2C[N@H+](Cc3cc(Br)ccc3O)CCO2)c1 ZINC000093457497 700451537 /nfs/dbraw/zinc/45/15/37/700451537.db2.gz UUCFSGBKVMEGKF-QGZVFWFLSA-N 1 2 364.239 3.434 20 10 FGCDLO Oc1cccc([C@H]2C[N@@H+](Cc3cc(Br)ccc3O)CCO2)c1 ZINC000093457497 700451539 /nfs/dbraw/zinc/45/15/39/700451539.db2.gz UUCFSGBKVMEGKF-QGZVFWFLSA-N 1 2 364.239 3.434 20 10 FGCDLO O=C(Cc1ccccc1F)N1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000120425895 700654388 /nfs/dbraw/zinc/65/43/88/700654388.db2.gz OBALRBDBNXWADS-UHFFFAOYSA-N 1 2 362.832 3.072 20 10 FGCDLO COc1ccc(O)c([C@H](C)[NH2+]CC(F)(F)CNC(=O)OC(C)(C)C)c1 ZINC000187648105 712750864 /nfs/dbraw/zinc/75/08/64/712750864.db2.gz VJIYYAPZFVGHGU-NSHDSACASA-N 1 2 360.401 3.211 20 10 FGCDLO C[C@@H](C[NH2+]Cc1cccc(Br)c1O)NC(=O)OC(C)(C)C ZINC000192687313 712870723 /nfs/dbraw/zinc/87/07/23/712870723.db2.gz YPZYFUBHBYRSFR-JTQLQIEISA-N 1 2 359.264 3.158 20 10 FGCDLO O=C(Cc1ccccc1)N1CCC[C@H]([NH2+]Cc2cccc(Cl)c2O)C1 ZINC000802657829 724398337 /nfs/dbraw/zinc/39/83/37/724398337.db2.gz ACRPJDNPXXJBFU-KRWDZBQOSA-N 1 2 358.869 3.369 20 10 FGCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCCC[C@@H]2C2OCCO2)c1 ZINC000781913766 724611829 /nfs/dbraw/zinc/61/18/29/724611829.db2.gz TZYFPVFRYJVERP-CQSZACIVSA-N 1 2 356.260 3.191 20 10 FGCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCCC[C@@H]2C2OCCO2)c1 ZINC000781913766 724611830 /nfs/dbraw/zinc/61/18/30/724611830.db2.gz TZYFPVFRYJVERP-CQSZACIVSA-N 1 2 356.260 3.191 20 10 FGCDLO Cc1cc(CC(=O)NCCc2[nH]cc[nH+]2)c(C)n1-c1ccc(Cl)cc1 ZINC000746242703 722596006 /nfs/dbraw/zinc/59/60/06/722596006.db2.gz KURXRFMWYORSKT-UHFFFAOYSA-N 1 2 356.857 3.372 20 10 FGCDLO C[C@@H]([NH2+]CCOC[C@H]1CCCO1)c1cc(Br)cc(F)c1O ZINC000756582897 722967170 /nfs/dbraw/zinc/96/71/70/722967170.db2.gz KDIGWRUDFKSYTE-ZYHUDNBSSA-N 1 2 362.239 3.140 20 10 FGCDLO C[C@H]([NH2+]C[C@@H](CO)Cc1ccco1)c1cc(Br)c(F)cc1O ZINC000756659320 722968356 /nfs/dbraw/zinc/96/83/56/722968356.db2.gz DFDLIEHQDRRCGP-QWRGUYRKSA-N 1 2 372.234 3.389 20 10 FGCDLO C[C@H]([NH2+]C[C@@H](CO)Cc1ccco1)c1cc(Br)cc(F)c1O ZINC000756659341 722968373 /nfs/dbraw/zinc/96/83/73/722968373.db2.gz DKGYZWDFZKUZCP-QWRGUYRKSA-N 1 2 372.234 3.389 20 10 FGCDLO C[C@H]([NH2+]CC[C@H](C)[S@@](C)=O)c1cc(Br)c(F)cc1O ZINC000756762651 722969747 /nfs/dbraw/zinc/96/97/47/722969747.db2.gz QBHYYQIESWCEPZ-OCCIGCLGSA-N 1 2 352.269 3.102 20 10 FGCDLO Oc1cc2c(cc1C[N@@H+]1CCc3cc(Br)ccc3C1)OCO2 ZINC000790451860 723141805 /nfs/dbraw/zinc/14/18/05/723141805.db2.gz MJCNBFDUHWWTSY-UHFFFAOYSA-N 1 2 362.223 3.442 20 10 FGCDLO Oc1cc2c(cc1C[N@H+]1CCc3cc(Br)ccc3C1)OCO2 ZINC000790451860 723141807 /nfs/dbraw/zinc/14/18/07/723141807.db2.gz MJCNBFDUHWWTSY-UHFFFAOYSA-N 1 2 362.223 3.442 20 10 FGCDLO CC(=O)N1CCC[C@@H](C[NH2+][C@@H](C)c2cc(Br)cc(F)c2O)C1 ZINC000794837764 723548482 /nfs/dbraw/zinc/54/84/82/723548482.db2.gz ZIERBLZBZMPALS-JQWIXIFHSA-N 1 2 373.266 3.203 20 10 FGCDLO CC(C)(C)c1nc(CN2CC[NH+](Cc3cc(Cl)ccc3O)CC2)no1 ZINC000769464482 723686346 /nfs/dbraw/zinc/68/63/46/723686346.db2.gz YGPOWQXIWZWNTO-UHFFFAOYSA-N 1 2 364.877 3.044 20 10 FGCDLO C[C@@H]1C[N@H+](Cc2cc(Br)ccc2O)CCN1CC(F)(F)F ZINC000770390137 723712936 /nfs/dbraw/zinc/71/29/36/723712936.db2.gz KKFXFRZEFZMQGC-SNVBAGLBSA-N 1 2 367.209 3.223 20 10 FGCDLO C[C@@H]1C[N@@H+](Cc2cc(Br)ccc2O)CCN1CC(F)(F)F ZINC000770390137 723712937 /nfs/dbraw/zinc/71/29/37/723712937.db2.gz KKFXFRZEFZMQGC-SNVBAGLBSA-N 1 2 367.209 3.223 20 10 FGCDLO Cc1cc(Cl)cc(C[NH+]2CCN(C(=O)Cc3ccccc3)CC2)c1O ZINC000775650028 724016119 /nfs/dbraw/zinc/01/61/19/724016119.db2.gz XHTQKFHQNKQRLT-UHFFFAOYSA-N 1 2 358.869 3.241 20 10 FGCDLO CC[C@H]([NH2+][C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)c1cccc(Cl)c1O ZINC000806154278 725118345 /nfs/dbraw/zinc/11/83/45/725118345.db2.gz DCGVVOWDFJAGPS-RLCCDNCMSA-N 1 2 362.861 3.014 20 10 FGCDLO CC[C@@H]([NH2+]C[C@@H](N1CCOCC1)C(F)(F)F)c1cccc(Cl)c1O ZINC000806166079 725119010 /nfs/dbraw/zinc/11/90/10/725119010.db2.gz OYWGZROSOWYPJS-ZIAGYGMSSA-N 1 2 366.811 3.349 20 10 FGCDLO CCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cccc(Br)c1O ZINC000809691521 725259098 /nfs/dbraw/zinc/25/90/98/725259098.db2.gz NSWKDISLLPUFJD-ZDUSSCGKSA-N 1 2 371.275 3.255 20 10 FGCDLO CCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cccc(Br)c1O ZINC000809691521 725259100 /nfs/dbraw/zinc/25/91/00/725259100.db2.gz NSWKDISLLPUFJD-ZDUSSCGKSA-N 1 2 371.275 3.255 20 10 FGCDLO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C(F)C(F)(F)F ZINC000810631901 725318804 /nfs/dbraw/zinc/31/88/04/725318804.db2.gz PCTLLYIBFPEZTO-AAEUAGOBSA-N 1 2 368.758 3.027 20 10 FGCDLO O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C(F)C(F)(F)F ZINC000810631901 725318806 /nfs/dbraw/zinc/31/88/06/725318806.db2.gz PCTLLYIBFPEZTO-AAEUAGOBSA-N 1 2 368.758 3.027 20 10 FGCDLO Cc1cc(C[NH2+]Cc2c(O)ccc(Cl)c2F)nc(N2CCCC2)n1 ZINC000814178162 726945551 /nfs/dbraw/zinc/94/55/51/726945551.db2.gz DWHMYEDBIUDTNM-UHFFFAOYSA-N 1 2 350.825 3.173 20 10 FGCDLO C[C@@H]([NH2+][C@@H]1CC[C@H]1O)c1cc(Br)cc(Br)c1O ZINC000818357574 727309159 /nfs/dbraw/zinc/30/91/59/727309159.db2.gz AQCBHMAYQXRJHV-DIMCTHFVSA-N 1 2 365.065 3.091 20 10 FGCDLO C[C@@H](NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000822081625 729145815 /nfs/dbraw/zinc/14/58/15/729145815.db2.gz GFEIZYYHNHHZNW-IUODEOHRSA-N 1 2 354.376 3.320 20 10 FGCDLO C[C@@H](Cc1cnn(C)c1)[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000834896682 729844660 /nfs/dbraw/zinc/84/46/60/729844660.db2.gz MPNPBXFAENDYSZ-UWVGGRQHSA-N 1 2 356.239 3.309 20 10 FGCDLO C[C@@H]1C[C@]2(CC[C@@H](C[NH2+]Cc3cc(Br)cc(F)c3O)O2)CO1 ZINC000886328710 739245245 /nfs/dbraw/zinc/24/52/45/739245245.db2.gz PGIBMYWSPQKXNL-AKWBHNSASA-N 1 2 374.250 3.110 20 10 FGCDLO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000877167901 736194353 /nfs/dbraw/zinc/19/43/53/736194353.db2.gz MLKVDSBTYSOIBS-RYUDHWBXSA-N 1 2 356.413 3.406 20 10 FGCDLO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000877167901 736194355 /nfs/dbraw/zinc/19/43/55/736194355.db2.gz MLKVDSBTYSOIBS-RYUDHWBXSA-N 1 2 356.413 3.406 20 10 FGCDLO COc1ccccc1[C@@H](O)C[NH2+]Cc1cc(Br)cc(F)c1O ZINC000882910977 737503211 /nfs/dbraw/zinc/50/32/11/737503211.db2.gz HALFYVNKGKVENL-AWEZNQCLSA-N 1 2 370.218 3.126 20 10 FGCDLO COCC[C@]1([NH2+]Cc2cc(Cl)cc(Br)c2O)CCOC1 ZINC000883105302 737523939 /nfs/dbraw/zinc/52/39/39/737523939.db2.gz FPAJINGIJXYIHA-AWEZNQCLSA-N 1 2 364.667 3.093 20 10 FGCDLO C[S@](=O)[C@H]1CCC[C@H]([NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000883166962 737531364 /nfs/dbraw/zinc/53/13/64/737531364.db2.gz MRSISCXTEDEFNH-PVUDRZGPSA-N 1 2 364.280 3.073 20 10 FGCDLO CN(C)[C@@H](CC[NH2+]Cc1cccc(Br)c1O)C(F)(F)F ZINC000922751638 758998045 /nfs/dbraw/zinc/99/80/45/758998045.db2.gz HCUWXVYDRXWAKA-NSHDSACASA-N 1 2 355.198 3.127 20 10 FGCDLO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000045427180 494428166 /nfs/dbraw/zinc/42/81/66/494428166.db2.gz FELGRMJVIONPRB-UHFFFAOYSA-N 1 2 365.481 3.175 20 10 FGCDLO COc1cccc(C[N@@H+]2Cc3ccccc3C[C@H]2c2nnc(C)o2)c1O ZINC000092355872 494605193 /nfs/dbraw/zinc/60/51/93/494605193.db2.gz ZQIITOITYKYIKN-KRWDZBQOSA-N 1 2 351.406 3.392 20 10 FGCDLO COc1cccc(C[N@H+]2Cc3ccccc3C[C@H]2c2nnc(C)o2)c1O ZINC000092355872 494605200 /nfs/dbraw/zinc/60/52/00/494605200.db2.gz ZQIITOITYKYIKN-KRWDZBQOSA-N 1 2 351.406 3.392 20 10 FGCDLO C[C@H]([NH2+]Cc1nnc2n1CCCC2)c1cc(Br)cc(F)c1O ZINC000183846193 496135281 /nfs/dbraw/zinc/13/52/81/496135281.db2.gz XPOYWRPJGLGERN-VIFPVBQESA-N 1 2 369.238 3.072 20 10 FGCDLO Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1C(=O)c1ccc(C)c(O)c1O ZINC000272727730 497715056 /nfs/dbraw/zinc/71/50/56/497715056.db2.gz JFSZFGIRFNGMAG-OAHLLOKOSA-N 1 2 365.433 3.369 20 10 FGCDLO CCOCc1nc([C@H](C)[NH2+][C@H](C)c2ccc(Br)cc2O)no1 ZINC000290279565 498494684 /nfs/dbraw/zinc/49/46/84/498494684.db2.gz XAOSWAPZTFHMGJ-ZJUUUORDSA-N 1 2 370.247 3.486 20 10 FGCDLO Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCc3cn[nH]c3C2)c1O ZINC000372497485 499134553 /nfs/dbraw/zinc/13/45/53/499134553.db2.gz QGVOAZOZNNAPDP-ZWNOBZJWSA-N 1 2 350.260 3.394 20 10 FGCDLO O=S1(=O)C[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2O)c2ccccc21 ZINC000370355712 499212455 /nfs/dbraw/zinc/21/24/55/499212455.db2.gz RUARPRFAKNZDHV-CYBMUJFWSA-N 1 2 358.246 3.317 20 10 FGCDLO CC[C@H](c1cccc(Cl)c1O)[N@@H+]1CCO[C@@H](c2nncn2CC)C1 ZINC000367897381 499242975 /nfs/dbraw/zinc/24/29/75/499242975.db2.gz SQULMGVCXLUYKE-HUUCEWRRSA-N 1 2 350.850 3.182 20 10 FGCDLO CC[C@H](c1cccc(Cl)c1O)[N@H+]1CCO[C@@H](c2nncn2CC)C1 ZINC000367897381 499242977 /nfs/dbraw/zinc/24/29/77/499242977.db2.gz SQULMGVCXLUYKE-HUUCEWRRSA-N 1 2 350.850 3.182 20 10 FGCDLO C[C@@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)c1ccc(Cl)c(Cl)c1O ZINC000368211915 499274441 /nfs/dbraw/zinc/27/44/41/499274441.db2.gz JYAUKRCAEPLGJB-QMTHXVAHSA-N 1 2 373.280 3.130 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)c3cc(C4CC4)on3)CC2)cc1 ZINC000368852810 499339680 /nfs/dbraw/zinc/33/96/80/499339680.db2.gz YTVZWNZTHMQFAI-UHFFFAOYSA-N 1 2 355.438 3.302 20 10 FGCDLO Cc1nc(CN2CCC[C@@H]([NH2+]Cc3cc(Cl)cc(Cl)c3O)C2)no1 ZINC000369271181 499386329 /nfs/dbraw/zinc/38/63/29/499386329.db2.gz OZZRQVFFBYOBDY-CYBMUJFWSA-N 1 2 371.268 3.145 20 10 FGCDLO Cc1c2ccccc2n(C)c1CNc1cc(N2CCSCC2)nc[nH+]1 ZINC000480513610 502589094 /nfs/dbraw/zinc/58/90/94/502589094.db2.gz JDEHSMJETSAIFJ-UHFFFAOYSA-N 1 2 353.495 3.442 20 10 FGCDLO Cc1c2ccccc2n(C)c1CNc1cc(N2CCSCC2)[nH+]cn1 ZINC000480513610 502589098 /nfs/dbraw/zinc/58/90/98/502589098.db2.gz JDEHSMJETSAIFJ-UHFFFAOYSA-N 1 2 353.495 3.442 20 10 FGCDLO Oc1cccc(Cl)c1C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000826511234 608520331 /nfs/dbraw/zinc/52/03/31/608520331.db2.gz HUBKWRDLZBZRTP-UHFFFAOYSA-N 1 2 355.829 3.390 20 10 FGCDLO Oc1cccc(Cl)c1C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000826511234 608520332 /nfs/dbraw/zinc/52/03/32/608520332.db2.gz HUBKWRDLZBZRTP-UHFFFAOYSA-N 1 2 355.829 3.390 20 10 FGCDLO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cccc(Br)c2O)cc1 ZINC000048797657 695889491 /nfs/dbraw/zinc/88/94/91/695889491.db2.gz GVMFZXIMBDYZCX-UHFFFAOYSA-N 1 2 351.200 3.395 20 10 FGCDLO CCc1nc(CN2CC[NH+](Cc3c(O)cccc3Cl)CC2)cs1 ZINC000120044318 700646704 /nfs/dbraw/zinc/64/67/04/700646704.db2.gz AERNWIODOBJMRX-UHFFFAOYSA-N 1 2 351.903 3.382 20 10 FGCDLO Oc1c(Br)cccc1C[NH2+][C@@H]1CCO[C@]2(CCSC2)C1 ZINC000151342948 704920131 /nfs/dbraw/zinc/92/01/31/704920131.db2.gz BRRBOVWMZUWXTE-IUODEOHRSA-N 1 2 358.301 3.299 20 10 FGCDLO Cc1cccn2c(/C=C3/SC(=S)N(c4cccnc4)C3=O)c[nH+]c12 ZINC000172691276 705426994 /nfs/dbraw/zinc/42/69/94/705426994.db2.gz QHBWOGAPGGYURO-RIYZIHGNSA-N 1 2 352.444 3.444 20 10 FGCDLO CCOC(=O)N1CCC[N@H+](Cc2cc(C)cc(Br)c2O)CC1 ZINC000781903946 724609900 /nfs/dbraw/zinc/60/99/00/724609900.db2.gz CNICUISCHOAJLT-UHFFFAOYSA-N 1 2 371.275 3.127 20 10 FGCDLO CCOC(=O)N1CCC[N@@H+](Cc2cc(C)cc(Br)c2O)CC1 ZINC000781903946 724609902 /nfs/dbraw/zinc/60/99/02/724609902.db2.gz CNICUISCHOAJLT-UHFFFAOYSA-N 1 2 371.275 3.127 20 10 FGCDLO C[C@H]([NH2+]C[C@@H](O)C(F)(F)F)c1cc(Br)cc(Cl)c1O ZINC000756449825 722964828 /nfs/dbraw/zinc/96/48/28/722964828.db2.gz OELWCOFZAOWGHW-SSDLBLMSSA-N 1 2 362.573 3.382 20 10 FGCDLO C[C@@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)c1cc(F)cc(F)c1O ZINC000756398496 722963995 /nfs/dbraw/zinc/96/39/95/722963995.db2.gz JFGCPDXZDYOCKL-LLVKDONJSA-N 1 2 350.365 3.219 20 10 FGCDLO C[C@H]([NH2+]CCNC(=O)c1c(F)cccc1F)c1cc(F)cc(F)c1O ZINC000756706172 722968863 /nfs/dbraw/zinc/96/88/63/722968863.db2.gz HHIHHHLNYORLGE-VIFPVBQESA-N 1 2 356.319 3.029 20 10 FGCDLO C[C@H]([NH2+]CCCNC(=O)c1cccc(F)c1)c1cc(F)cc(F)c1O ZINC000756707530 722968883 /nfs/dbraw/zinc/96/88/83/722968883.db2.gz IMPWGFSHFFQFKK-NSHDSACASA-N 1 2 352.356 3.280 20 10 FGCDLO C[C@@H](Nc1ccc(N(C)CCO)c[nH+]1)c1ccc(Br)cc1O ZINC000756844759 722970648 /nfs/dbraw/zinc/97/06/48/722970648.db2.gz MAZVUEXOTVDIII-LLVKDONJSA-N 1 2 366.259 3.151 20 10 FGCDLO C[NH+](C)Cc1ccc(S(=O)(=O)Nc2nc(-c3ccco3)cs2)cc1 ZINC000789728711 723069147 /nfs/dbraw/zinc/06/91/47/723069147.db2.gz VQXTURFRLWAVIU-UHFFFAOYSA-N 1 2 363.464 3.266 20 10 FGCDLO Cc1cc(Br)c(O)c(C[NH+]2CCC(O)(C(F)(F)F)CC2)c1 ZINC000768519744 723660077 /nfs/dbraw/zinc/66/00/77/723660077.db2.gz WOTADTGMYLPZBN-UHFFFAOYSA-N 1 2 368.193 3.352 20 10 FGCDLO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+][C@H](C)c2cc(F)cc(F)c2O)cc1 ZINC000775566292 724001139 /nfs/dbraw/zinc/00/11/39/724001139.db2.gz VIYBGPQGZWTXOP-CHWSQXEVSA-N 1 2 369.433 3.492 20 10 FGCDLO COCC1([NH2+]Cc2cc(Br)cc(Br)c2O)CC1 ZINC000776251716 724123881 /nfs/dbraw/zinc/12/38/81/724123881.db2.gz VQHCVEPEFSJFSR-UHFFFAOYSA-N 1 2 365.065 3.186 20 10 FGCDLO C[C@@H]([NH2+]C[C@H](CO)c1cccnc1)c1cc(Br)cc(F)c1O ZINC000806179300 725119841 /nfs/dbraw/zinc/11/98/41/725119841.db2.gz QPVRLLXFPGHEEV-ZYHUDNBSSA-N 1 2 369.234 3.116 20 10 FGCDLO O=C(NC1CC1)OC[C@@H]1CCCC[N@H+]1Cc1c(O)ccc(Cl)c1F ZINC000811511711 725371290 /nfs/dbraw/zinc/37/12/90/725371290.db2.gz RJUFERWBAKNGQG-LBPRGKRZSA-N 1 2 356.825 3.428 20 10 FGCDLO O=C(NC1CC1)OC[C@@H]1CCCC[N@@H+]1Cc1c(O)ccc(Cl)c1F ZINC000811511711 725371292 /nfs/dbraw/zinc/37/12/92/725371292.db2.gz RJUFERWBAKNGQG-LBPRGKRZSA-N 1 2 356.825 3.428 20 10 FGCDLO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2Cc2cc(Cl)c(F)cc2O)C[C@@H](C)O1 ZINC000816496571 727168042 /nfs/dbraw/zinc/16/80/42/727168042.db2.gz OTSMUMRHCCZCOX-NFAWXSAZSA-N 1 2 356.869 3.258 20 10 FGCDLO C[C@@H]1CN(C[C@@H]2CCC[N@H+]2Cc2cc(Cl)c(F)cc2O)C[C@@H](C)O1 ZINC000816496571 727168045 /nfs/dbraw/zinc/16/80/45/727168045.db2.gz OTSMUMRHCCZCOX-NFAWXSAZSA-N 1 2 356.869 3.258 20 10 FGCDLO CCOC(=O)[C@H](F)C1C[NH+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000816635744 727182959 /nfs/dbraw/zinc/18/29/59/727182959.db2.gz UYIDZIUPISAUFR-OAHLLOKOSA-N 1 2 362.367 3.104 20 10 FGCDLO Cc1c(Cl)c(C[NH2+]Cc2ccc(N3CCSCC3)cc2)nn1C ZINC000817407448 727247493 /nfs/dbraw/zinc/24/74/93/727247493.db2.gz OXOFRMSDQLRWOU-UHFFFAOYSA-N 1 2 350.919 3.225 20 10 FGCDLO Cc1cnc(N2CC[NH+](Cc3ccc(Br)cc3O)CC2)s1 ZINC000824837419 729361443 /nfs/dbraw/zinc/36/14/43/729361443.db2.gz VTNXGBBEEPXEMZ-UHFFFAOYSA-N 1 2 368.300 3.242 20 10 FGCDLO CCN(CC)c1ccc(C[N@@H+]2CCCC[C@@H]2CS(C)(=O)=O)cc1F ZINC000824914481 729364933 /nfs/dbraw/zinc/36/49/33/729364933.db2.gz SGVTYSZDLQXPJS-MRXNPFEDSA-N 1 2 356.507 3.071 20 10 FGCDLO CCN(CC)c1ccc(C[N@H+]2CCCC[C@@H]2CS(C)(=O)=O)cc1F ZINC000824914481 729364936 /nfs/dbraw/zinc/36/49/36/729364936.db2.gz SGVTYSZDLQXPJS-MRXNPFEDSA-N 1 2 356.507 3.071 20 10 FGCDLO C[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)C(=O)NCCc1ccccc1 ZINC000825035047 729368596 /nfs/dbraw/zinc/36/85/96/729368596.db2.gz AMFAQWMKLSSUFB-LBPRGKRZSA-N 1 2 350.821 3.022 20 10 FGCDLO Oc1c(Cl)cccc1C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000826510942 729408343 /nfs/dbraw/zinc/40/83/43/729408343.db2.gz TVGYMUOECUGNFG-UHFFFAOYSA-N 1 2 355.829 3.390 20 10 FGCDLO Oc1c(Cl)cccc1C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000826510942 729408344 /nfs/dbraw/zinc/40/83/44/729408344.db2.gz TVGYMUOECUGNFG-UHFFFAOYSA-N 1 2 355.829 3.390 20 10 FGCDLO Cc1cnc(CC[NH2+][C@H](C)c2cc(Br)cc(F)c2O)cn1 ZINC000834907805 729845379 /nfs/dbraw/zinc/84/53/79/729845379.db2.gz CRVNZBCBPULXHJ-SNVBAGLBSA-N 1 2 354.223 3.286 20 10 FGCDLO CN(C)c1ccc(/C=C/C[N@H+](C)Cc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000835025486 729850588 /nfs/dbraw/zinc/85/05/88/729850588.db2.gz GYZOGCIOEPRZPB-AATRIKPKSA-N 1 2 358.507 3.301 20 10 FGCDLO CN(C)c1ccc(/C=C/C[N@@H+](C)Cc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000835025486 729850591 /nfs/dbraw/zinc/85/05/91/729850591.db2.gz GYZOGCIOEPRZPB-AATRIKPKSA-N 1 2 358.507 3.301 20 10 FGCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCCc3c(cnn3C)C2)c1 ZINC000840953947 730196589 /nfs/dbraw/zinc/19/65/89/730196589.db2.gz AMZHMKJBTDISMZ-UHFFFAOYSA-N 1 2 350.260 3.145 20 10 FGCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCCc3c(cnn3C)C2)c1 ZINC000840953947 730196590 /nfs/dbraw/zinc/19/65/90/730196590.db2.gz AMZHMKJBTDISMZ-UHFFFAOYSA-N 1 2 350.260 3.145 20 10 FGCDLO COc1cc(O)c(C[N@H+]([C@H](C)C(=O)OC(C)(C)C)C2CC2)cc1OC ZINC000840957036 730196813 /nfs/dbraw/zinc/19/68/13/730196813.db2.gz HSTMXYPNGJNYNV-GFCCVEGCSA-N 1 2 351.443 3.104 20 10 FGCDLO COc1cc(O)c(C[N@@H+]([C@H](C)C(=O)OC(C)(C)C)C2CC2)cc1OC ZINC000840957036 730196815 /nfs/dbraw/zinc/19/68/15/730196815.db2.gz HSTMXYPNGJNYNV-GFCCVEGCSA-N 1 2 351.443 3.104 20 10 FGCDLO CC[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)C(=O)NCc1cccs1 ZINC000843428152 730619703 /nfs/dbraw/zinc/61/97/03/730619703.db2.gz PFGROSBEKVMJEA-AWEZNQCLSA-N 1 2 356.850 3.431 20 10 FGCDLO COC(=O)[C@H]([NH2+]Cc1cc(Cl)cc(C)c1O)[C@H]1CCC[C@H](OC)C1 ZINC000846109364 730929660 /nfs/dbraw/zinc/92/96/60/730929660.db2.gz UDYKUFWXSOBJBJ-VBNZEHGJSA-N 1 2 355.862 3.190 20 10 FGCDLO O=[N+]([O-])c1cc(Cl)cc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)c1[O-] ZINC000849350066 731251564 /nfs/dbraw/zinc/25/15/64/731251564.db2.gz OPNWZUYUBPGAEU-HZPDHXFCSA-N 1 2 361.829 3.189 20 10 FGCDLO NC(=O)CC1(C[NH2+]Cc2cccc(Br)c2O)CCCCC1 ZINC000850412945 731353906 /nfs/dbraw/zinc/35/39/06/731353906.db2.gz MCZDRFCMSVXODG-UHFFFAOYSA-N 1 2 355.276 3.070 20 10 FGCDLO C[C@H]([NH2+][C@H]1C[C@@H](C)n2ncnc21)c1cc(Br)c(F)cc1O ZINC000850498873 731364805 /nfs/dbraw/zinc/36/48/05/731364805.db2.gz FEURDYSQOUUHDE-LWINAJNOSA-N 1 2 355.211 3.242 20 10 FGCDLO C[C@H]([NH2+]Cc1nc(C(N)=O)cs1)c1ccc(N2CCCCC2)c(F)c1 ZINC000850539995 731370843 /nfs/dbraw/zinc/37/08/43/731370843.db2.gz HDQYWUBJYONMHO-LBPRGKRZSA-N 1 2 362.474 3.222 20 10 FGCDLO COC(=O)[C@@H]1C[C@@H](C)[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)[C@@H](C)C1 ZINC000860189717 732466406 /nfs/dbraw/zinc/46/64/06/732466406.db2.gz WHJUFSZMFRICQL-PTEHBNRSSA-N 1 2 353.846 3.410 20 10 FGCDLO COC(=O)[C@@H]1C[C@@H](C)[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)[C@@H](C)C1 ZINC000860189717 732466410 /nfs/dbraw/zinc/46/64/10/732466410.db2.gz WHJUFSZMFRICQL-PTEHBNRSSA-N 1 2 353.846 3.410 20 10 FGCDLO CN(C)c1cc(F)c(C[N@H+](C)Cc2ccc([S@@](C)=O)cc2)cc1F ZINC000862249129 732797782 /nfs/dbraw/zinc/79/77/82/732797782.db2.gz HDCRHACKSXENGA-XMMPIXPASA-N 1 2 352.450 3.400 20 10 FGCDLO CN(C)c1cc(F)c(C[N@@H+](C)Cc2ccc([S@@](C)=O)cc2)cc1F ZINC000862249129 732797786 /nfs/dbraw/zinc/79/77/86/732797786.db2.gz HDCRHACKSXENGA-XMMPIXPASA-N 1 2 352.450 3.400 20 10 FGCDLO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000877167900 736194577 /nfs/dbraw/zinc/19/45/77/736194577.db2.gz MLKVDSBTYSOIBS-NWDGAFQWSA-N 1 2 356.413 3.406 20 10 FGCDLO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000877167900 736194579 /nfs/dbraw/zinc/19/45/79/736194579.db2.gz MLKVDSBTYSOIBS-NWDGAFQWSA-N 1 2 356.413 3.406 20 10 FGCDLO Oc1c(F)cc(Br)cc1C[NH2+]C1CCN(CC(F)F)CC1 ZINC000882944498 737505589 /nfs/dbraw/zinc/50/55/89/737505589.db2.gz KADKNPWZNRXJMW-UHFFFAOYSA-N 1 2 367.209 3.113 20 10 FGCDLO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000883087855 737520938 /nfs/dbraw/zinc/52/09/38/737520938.db2.gz KVOSPMHTHWPSOP-CHWSQXEVSA-N 1 2 364.667 3.092 20 10 FGCDLO CC(C)[C@@H]([NH2+][C@H](C)c1cc(Br)c(F)cc1O)c1nncn1C ZINC000903063050 743800874 /nfs/dbraw/zinc/80/08/74/743800874.db2.gz BQHHOFGKRIWMQX-YMTOWFKASA-N 1 2 371.254 3.470 20 10 FGCDLO C[C@@H]([NH2+]CC1CC2(C1)OCCO2)c1cc(Br)cc(F)c1O ZINC000927005000 759874053 /nfs/dbraw/zinc/87/40/53/759874053.db2.gz WZYQGZFNGSFOMF-SECBINFHSA-N 1 2 360.223 3.098 20 10 FGCDLO O=C(NCc1ccc(N2CCCC2)cc1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000052807174 494063191 /nfs/dbraw/zinc/06/31/91/494063191.db2.gz BUZXAWAVTBPYBQ-UHFFFAOYSA-N 1 2 360.461 3.462 20 10 FGCDLO O=c1nc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)[nH]c2ccsc21 ZINC000070976332 494076935 /nfs/dbraw/zinc/07/69/35/494076935.db2.gz JRISNPJWKTUTOP-AWEZNQCLSA-N 1 2 371.462 3.284 20 10 FGCDLO O=c1nc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)[nH]c2ccsc21 ZINC000070976332 494076941 /nfs/dbraw/zinc/07/69/41/494076941.db2.gz JRISNPJWKTUTOP-AWEZNQCLSA-N 1 2 371.462 3.284 20 10 FGCDLO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000130534071 495406605 /nfs/dbraw/zinc/40/66/05/495406605.db2.gz IUBNYLAQQRDIDY-GOSISDBHSA-N 1 2 352.482 3.094 20 10 FGCDLO CN1CCCc2cc(CNC(=O)N3CCCC[C@@H]3c3[nH]cc[nH+]3)ccc21 ZINC000106549747 495468176 /nfs/dbraw/zinc/46/81/76/495468176.db2.gz AJJMYRMIKYOPSC-GOSISDBHSA-N 1 2 353.470 3.229 20 10 FGCDLO CCc1[nH+]c2ccccc2n1CC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000173198248 496588414 /nfs/dbraw/zinc/58/84/14/496588414.db2.gz VQOGOYVTXAHFHL-UHFFFAOYSA-N 1 2 364.449 3.090 20 10 FGCDLO C[C@@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273419993 496801517 /nfs/dbraw/zinc/80/15/17/496801517.db2.gz RVLRNMJBVHFGLU-CQSZACIVSA-N 1 2 356.426 3.011 20 10 FGCDLO C[C@H](Cn1cc[nH+]c1)NC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000264511500 496917151 /nfs/dbraw/zinc/91/71/51/496917151.db2.gz SLLJPVMSIWYBNE-QGZVFWFLSA-N 1 2 355.486 3.007 20 10 FGCDLO Cn1cc([C@H]2OCCC[C@@H]2[NH2+]Cc2cc(Cl)cc(Cl)c2O)cn1 ZINC000275530749 497355034 /nfs/dbraw/zinc/35/50/34/497355034.db2.gz LXMPKSYRHXAVNC-GOEBONIOSA-N 1 2 356.253 3.442 20 10 FGCDLO CCNC(=O)COc1cccc(C[NH2+][C@@H](C)c2ccc(F)c(F)c2O)c1 ZINC000276928933 497691102 /nfs/dbraw/zinc/69/11/02/497691102.db2.gz NXUIVYFLNCZRKG-LBPRGKRZSA-N 1 2 364.392 3.036 20 10 FGCDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)NCc2ccccc2O)C[C@H](C)O1 ZINC000299527178 497835944 /nfs/dbraw/zinc/83/59/44/497835944.db2.gz RNRVDUSHVQXBFO-HOTGVXAUSA-N 1 2 369.465 3.323 20 10 FGCDLO Cc1cc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2O)cc(N2CCCC2)n1 ZINC000289685807 498247806 /nfs/dbraw/zinc/24/78/06/498247806.db2.gz HYKBZLGIZFGSHY-CQSZACIVSA-N 1 2 356.426 3.455 20 10 FGCDLO Oc1ccccc1C[N@@H+](Cc1ncnn1-c1ccccc1)C[C@@H]1CCCO1 ZINC000281871346 498300056 /nfs/dbraw/zinc/30/00/56/498300056.db2.gz CGYFGTOYRKUXHZ-IBGZPJMESA-N 1 2 364.449 3.154 20 10 FGCDLO Oc1ccccc1C[N@H+](Cc1ncnn1-c1ccccc1)C[C@@H]1CCCO1 ZINC000281871346 498300062 /nfs/dbraw/zinc/30/00/62/498300062.db2.gz CGYFGTOYRKUXHZ-IBGZPJMESA-N 1 2 364.449 3.154 20 10 FGCDLO Cc1cc(Br)cc(C[N@@H+]2CCOC[C@H]2[C@@H]2CCCC2=O)c1O ZINC000365148471 498323054 /nfs/dbraw/zinc/32/30/54/498323054.db2.gz DPRQSKDOOWWCEE-GJZGRUSLSA-N 1 2 368.271 3.033 20 10 FGCDLO Cc1cc(Br)cc(C[N@H+]2CCOC[C@H]2[C@@H]2CCCC2=O)c1O ZINC000365148471 498323059 /nfs/dbraw/zinc/32/30/59/498323059.db2.gz DPRQSKDOOWWCEE-GJZGRUSLSA-N 1 2 368.271 3.033 20 10 FGCDLO CC(C)c1nc(N(C)C)nc(N[C@H](C)c2ccc(N3CCOCC3)cc2)[nH+]1 ZINC000301955090 498343069 /nfs/dbraw/zinc/34/30/69/498343069.db2.gz DXAMFIVLJRDFMR-OAHLLOKOSA-N 1 2 370.501 3.071 20 10 FGCDLO CC(C)c1nc(N[C@H](C)c2ccc(N3CCOCC3)cc2)nc(N(C)C)[nH+]1 ZINC000301955090 498343075 /nfs/dbraw/zinc/34/30/75/498343075.db2.gz DXAMFIVLJRDFMR-OAHLLOKOSA-N 1 2 370.501 3.071 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)CCc3cscn3)CC2)cc1 ZINC000363204699 498702070 /nfs/dbraw/zinc/70/20/70/498702070.db2.gz GTOQZJSEHLZDRS-UHFFFAOYSA-N 1 2 359.495 3.212 20 10 FGCDLO CC[C@H]([NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O)c1cccc(Cl)c1O ZINC000287540853 498791389 /nfs/dbraw/zinc/79/13/89/498791389.db2.gz FAQSVJKJSCNRRL-LSDHHAIUSA-N 1 2 362.861 3.015 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)NOCc3ccccc3)CC2)cc1 ZINC000363477622 498841149 /nfs/dbraw/zinc/84/11/49/498841149.db2.gz YYGLKGPTBUJCCY-UHFFFAOYSA-N 1 2 369.465 3.437 20 10 FGCDLO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000367881712 499241242 /nfs/dbraw/zinc/24/12/42/499241242.db2.gz URVVEJRZBVPLNT-KRWDZBQOSA-N 1 2 367.497 3.099 20 10 FGCDLO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000367881712 499241245 /nfs/dbraw/zinc/24/12/45/499241245.db2.gz URVVEJRZBVPLNT-KRWDZBQOSA-N 1 2 367.497 3.099 20 10 FGCDLO C[C@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC[C@H]1N1CC[NH+](C)CC1 ZINC000370711144 499246988 /nfs/dbraw/zinc/24/69/88/499246988.db2.gz ODZNJYSNHBSSAA-SUMWQHHRSA-N 1 2 372.340 3.157 20 10 FGCDLO C[C@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC[C@H]1N1CC[NH+](C)CC1 ZINC000370711144 499246990 /nfs/dbraw/zinc/24/69/90/499246990.db2.gz ODZNJYSNHBSSAA-SUMWQHHRSA-N 1 2 372.340 3.157 20 10 FGCDLO COc1ccc(N2CCCN(C(=O)Nc3ccn4cc[nH+]c4c3)CC2)cc1 ZINC000368111979 499265389 /nfs/dbraw/zinc/26/53/89/499265389.db2.gz AXKONIGUWVTVPT-UHFFFAOYSA-N 1 2 365.437 3.087 20 10 FGCDLO C[C@@H]([NH2+][C@@H]1CCN(C(=O)Cc2ccccc2)C1)c1ccc(F)c(F)c1O ZINC000368488892 499301255 /nfs/dbraw/zinc/30/12/55/499301255.db2.gz UZAFAJRMOHCNDT-UKRRQHHQSA-N 1 2 360.404 3.165 20 10 FGCDLO C[C@@H]([NH2+][C@H]1CCN(c2ccn(C)n2)C1)c1ccc(Cl)c(Cl)c1O ZINC000371877658 499374577 /nfs/dbraw/zinc/37/45/77/499374577.db2.gz XYWBKHVPPXYWOS-MNOVXSKESA-N 1 2 355.269 3.362 20 10 FGCDLO Cc1cc(C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)c(C)n1-c1ccccn1 ZINC000372934972 499443681 /nfs/dbraw/zinc/44/36/81/499443681.db2.gz OYOOTALDPBYACT-UHFFFAOYSA-N 1 2 363.465 3.294 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H]2Cn2nc(C)nc2C)c1O ZINC000377985265 499753596 /nfs/dbraw/zinc/75/35/96/499753596.db2.gz FYRRTHHTIHLLDR-INIZCTEOSA-N 1 2 362.861 3.121 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H]2Cn2nc(C)nc2C)c1O ZINC000377985265 499753597 /nfs/dbraw/zinc/75/35/97/499753597.db2.gz FYRRTHHTIHLLDR-INIZCTEOSA-N 1 2 362.861 3.121 20 10 FGCDLO C[N@@H+]1CCCC[C@@H]1CN1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1 ZINC000093147547 700447583 /nfs/dbraw/zinc/44/75/83/700447583.db2.gz UOTOIICFWVIOSC-MRXNPFEDSA-N 1 2 372.340 3.301 20 10 FGCDLO C[N@H+]1CCCC[C@@H]1CN1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1 ZINC000093147547 700447585 /nfs/dbraw/zinc/44/75/85/700447585.db2.gz UOTOIICFWVIOSC-MRXNPFEDSA-N 1 2 372.340 3.301 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCCN(c3nccs3)CC2)c1O ZINC000177267751 705615359 /nfs/dbraw/zinc/61/53/59/705615359.db2.gz WXZHYXLMZKXQRJ-UHFFFAOYSA-N 1 2 365.886 3.417 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCCN(c3nccs3)CC2)c1O ZINC000177267751 705615364 /nfs/dbraw/zinc/61/53/64/705615364.db2.gz WXZHYXLMZKXQRJ-UHFFFAOYSA-N 1 2 365.886 3.417 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2CN2CCCC2=O)c1O ZINC000750045985 722752718 /nfs/dbraw/zinc/75/27/18/722752718.db2.gz ZECLKEYUZQVRKR-MRXNPFEDSA-N 1 2 364.873 3.225 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2CN2CCCC2=O)c1O ZINC000750045985 722752721 /nfs/dbraw/zinc/75/27/21/722752721.db2.gz ZECLKEYUZQVRKR-MRXNPFEDSA-N 1 2 364.873 3.225 20 10 FGCDLO C[C@@H]([NH2+][C@@H](C)Cc1cnccn1)c1cc(Br)cc(F)c1O ZINC000756494373 722965522 /nfs/dbraw/zinc/96/55/22/722965522.db2.gz LQZUGTKDWFVTTJ-VHSXEESVSA-N 1 2 354.223 3.366 20 10 FGCDLO C[C@@H]([NH2+][C@H](C)c1cc(F)cc(F)c1O)c1cccc(NS(C)(=O)=O)c1 ZINC000756495488 722965619 /nfs/dbraw/zinc/96/56/19/722965619.db2.gz RSBMGRHQARAQBF-GHMZBOCLSA-N 1 2 370.421 3.454 20 10 FGCDLO C[C@@H]([NH2+]CCCc1cnn(C)c1)c1cc(Br)c(F)cc1O ZINC000756530704 722966231 /nfs/dbraw/zinc/96/62/31/722966231.db2.gz ZOAZPTIJEIYNFZ-SNVBAGLBSA-N 1 2 356.239 3.311 20 10 FGCDLO C[C@H]([NH2+]CCCc1nnc2n1CCCCC2)c1cc(F)cc(F)c1O ZINC000756536694 722966408 /nfs/dbraw/zinc/96/64/08/722966408.db2.gz SUJRBEVYQOKXMM-LBPRGKRZSA-N 1 2 350.413 3.272 20 10 FGCDLO C[C@H]([NH2+]CCCO[C@@H]1CCOC1)c1cc(Br)c(F)cc1O ZINC000756649060 722968199 /nfs/dbraw/zinc/96/81/99/722968199.db2.gz CKQGSJYMQYHCCU-WDEREUQCSA-N 1 2 362.239 3.140 20 10 FGCDLO C[C@@H]([NH2+]CCCNC(=O)c1cccc(F)c1)c1cc(F)cc(F)c1O ZINC000756707528 722968846 /nfs/dbraw/zinc/96/88/46/722968846.db2.gz IMPWGFSHFFQFKK-LLVKDONJSA-N 1 2 352.356 3.280 20 10 FGCDLO C[C@H]([NH2+]Cc1ccnc(N(C)C)n1)c1cc(Br)cc(F)c1O ZINC000756790785 722970157 /nfs/dbraw/zinc/97/01/57/722970157.db2.gz PHLXBIGVLIRCLW-VIFPVBQESA-N 1 2 369.238 3.001 20 10 FGCDLO COc1cc(Br)cc(C[N@@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)c1O ZINC000793214588 723412032 /nfs/dbraw/zinc/41/20/32/723412032.db2.gz PDCKAANSWXDPBB-MEBBXXQBSA-N 1 2 356.260 3.163 20 10 FGCDLO COc1cc(Br)cc(C[N@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)c1O ZINC000793214588 723412035 /nfs/dbraw/zinc/41/20/35/723412035.db2.gz PDCKAANSWXDPBB-MEBBXXQBSA-N 1 2 356.260 3.163 20 10 FGCDLO CCOc1ccc(C[NH+]2CCN(C(=O)c3ccc(C)s3)CC2)c(O)c1 ZINC000768993474 723673888 /nfs/dbraw/zinc/67/38/88/723673888.db2.gz XYPYKORUZFINMP-UHFFFAOYSA-N 1 2 360.479 3.119 20 10 FGCDLO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C1=CC(=O)CS1 ZINC000771055805 723726818 /nfs/dbraw/zinc/72/68/18/723726818.db2.gz FIWHIRAJSYPOJT-ZDUSSCGKSA-N 1 2 366.870 3.207 20 10 FGCDLO O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C1=CC(=O)CS1 ZINC000771055805 723726820 /nfs/dbraw/zinc/72/68/20/723726820.db2.gz FIWHIRAJSYPOJT-ZDUSSCGKSA-N 1 2 366.870 3.207 20 10 FGCDLO O=C1CCCCN1CC1CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000775705260 724028233 /nfs/dbraw/zinc/02/82/33/724028233.db2.gz HZERKSOSZSIMJG-UHFFFAOYSA-N 1 2 354.853 3.409 20 10 FGCDLO CCn1cc(N2C(=O)/C(=C/c3cc(OC)cc(C)[nH+]3)SC2=S)cn1 ZINC000776726757 724174639 /nfs/dbraw/zinc/17/46/39/724174639.db2.gz NDBHMELQJJZZLD-AUWJEWJLSA-N 1 2 360.464 3.021 20 10 FGCDLO COc1cc(C)[nH+]c(/C=C2\SC(=S)N(CCc3ccccn3)C2=O)c1 ZINC000776726810 724174679 /nfs/dbraw/zinc/17/46/79/724174679.db2.gz NZNPFFOKNLQOKL-WJDWOHSUSA-N 1 2 371.487 3.238 20 10 FGCDLO C[NH+](C)[C@@H](CNC(=O)NCc1cc(Cl)cc(Cl)c1O)c1ccco1 ZINC000806294362 725122960 /nfs/dbraw/zinc/12/29/60/725122960.db2.gz DVLYRBJAMKTSJB-ZDUSSCGKSA-N 1 2 372.252 3.394 20 10 FGCDLO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000809695421 725259565 /nfs/dbraw/zinc/25/95/65/725259565.db2.gz KZELEWFTZQNMMK-CYBMUJFWSA-N 1 2 355.715 3.112 20 10 FGCDLO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000809695421 725259566 /nfs/dbraw/zinc/25/95/66/725259566.db2.gz KZELEWFTZQNMMK-CYBMUJFWSA-N 1 2 355.715 3.112 20 10 FGCDLO Oc1c(Br)cc(Br)cc1C[NH2+][C@H]1CCCOC1 ZINC000809783849 725268558 /nfs/dbraw/zinc/26/85/58/725268558.db2.gz NFLJZXFMURIQCR-JTQLQIEISA-N 1 2 365.065 3.186 20 10 FGCDLO COc1cc(O)c(C[N@@H+]2CC(C)(C)O[C@](C)(C(F)(F)F)C2)cc1OC ZINC000816642713 727184392 /nfs/dbraw/zinc/18/43/92/727184392.db2.gz IKOVRHSQGAAOPK-INIZCTEOSA-N 1 2 363.376 3.341 20 10 FGCDLO COc1cc(O)c(C[N@H+]2CC(C)(C)O[C@](C)(C(F)(F)F)C2)cc1OC ZINC000816642713 727184394 /nfs/dbraw/zinc/18/43/94/727184394.db2.gz IKOVRHSQGAAOPK-INIZCTEOSA-N 1 2 363.376 3.341 20 10 FGCDLO COc1ccc2c(c1)C[C@@H](C(C)C)C[N@H+]2CC[C@@H]1CCS(=O)(=O)C1 ZINC000817297753 727238149 /nfs/dbraw/zinc/23/81/49/727238149.db2.gz AFTLRVBLTHUKNG-NVXWUHKLSA-N 1 2 351.512 3.155 20 10 FGCDLO COc1ccc2c(c1)C[C@@H](C(C)C)C[N@@H+]2CC[C@@H]1CCS(=O)(=O)C1 ZINC000817297753 727238151 /nfs/dbraw/zinc/23/81/51/727238151.db2.gz AFTLRVBLTHUKNG-NVXWUHKLSA-N 1 2 351.512 3.155 20 10 FGCDLO CN(C)c1noc(C[NH2+]Cc2ccc(N(C)Cc3cccs3)cc2)n1 ZINC000824196566 729323716 /nfs/dbraw/zinc/32/37/16/729323716.db2.gz ULFOPERLMMWQOE-UHFFFAOYSA-N 1 2 357.483 3.123 20 10 FGCDLO OC[C@@]1(F)C[N@H+](Cc2cc(Cl)cc(F)c2O)C[C@H]1c1ccccc1 ZINC000824636106 729352051 /nfs/dbraw/zinc/35/20/51/729352051.db2.gz LUTZRTJEJIWGCY-YJBOKZPZSA-N 1 2 353.796 3.485 20 10 FGCDLO OC[C@@]1(F)C[N@@H+](Cc2cc(Cl)cc(F)c2O)C[C@H]1c1ccccc1 ZINC000824636106 729352052 /nfs/dbraw/zinc/35/20/52/729352052.db2.gz LUTZRTJEJIWGCY-YJBOKZPZSA-N 1 2 353.796 3.485 20 10 FGCDLO Oc1cc(Br)ccc1C[NH+]1CCN(c2ncccc2F)CC1 ZINC000824869817 729363102 /nfs/dbraw/zinc/36/31/02/729363102.db2.gz GOYNOXXOMBTULQ-UHFFFAOYSA-N 1 2 366.234 3.011 20 10 FGCDLO CC[C@H]([NH2+]Cc1cc(Br)cc(Br)c1O)[C@H](C)O ZINC000824921372 729365230 /nfs/dbraw/zinc/36/52/30/729365230.db2.gz KQFQMZMEUJXPSX-CPCISQLKSA-N 1 2 367.081 3.166 20 10 FGCDLO O=C(C1CC[NH+](Cc2ccc(Br)cc2O)CC1)C(F)(F)F ZINC000825549575 729387453 /nfs/dbraw/zinc/38/74/53/729387453.db2.gz QJQRPNKERJEULR-UHFFFAOYSA-N 1 2 366.177 3.498 20 10 FGCDLO Oc1c(Cl)cccc1C[N@H+]1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000826894612 729418191 /nfs/dbraw/zinc/41/81/91/729418191.db2.gz RVJJHDBPSBWMQT-MOPGFXCFSA-N 1 2 358.869 3.131 20 10 FGCDLO Oc1c(Cl)cccc1C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000826894612 729418192 /nfs/dbraw/zinc/41/81/92/729418192.db2.gz RVJJHDBPSBWMQT-MOPGFXCFSA-N 1 2 358.869 3.131 20 10 FGCDLO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](Cc2cccc(Cl)c2O)CC[C@H]1F ZINC000827776299 729434602 /nfs/dbraw/zinc/43/46/02/729434602.db2.gz PRSUJBHWIRKEKX-ZIAGYGMSSA-N 1 2 358.841 3.483 20 10 FGCDLO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](Cc2cccc(Cl)c2O)CC[C@H]1F ZINC000827776299 729434603 /nfs/dbraw/zinc/43/46/03/729434603.db2.gz PRSUJBHWIRKEKX-ZIAGYGMSSA-N 1 2 358.841 3.483 20 10 FGCDLO C[C@H](Cc1cnn(C)c1)[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000834896289 729844618 /nfs/dbraw/zinc/84/46/18/729844618.db2.gz JSXSYFGSWPQYDB-NXEZZACHSA-N 1 2 356.239 3.309 20 10 FGCDLO CC[N@H+](Cc1cc(C(C)=O)no1)Cc1cc(Br)ccc1O ZINC000846810634 730983010 /nfs/dbraw/zinc/98/30/10/730983010.db2.gz YZARUJTZPSXNHB-UHFFFAOYSA-N 1 2 353.216 3.367 20 10 FGCDLO CC[N@@H+](Cc1cc(C(C)=O)no1)Cc1cc(Br)ccc1O ZINC000846810634 730983011 /nfs/dbraw/zinc/98/30/11/730983011.db2.gz YZARUJTZPSXNHB-UHFFFAOYSA-N 1 2 353.216 3.367 20 10 FGCDLO CC[C@@H](O)C[NH2+][C@@H](C)c1cc(Br)cc(Br)c1O ZINC000850529073 731369504 /nfs/dbraw/zinc/36/95/04/731369504.db2.gz NDVOYMHDFLHMDR-IONNQARKSA-N 1 2 367.081 3.339 20 10 FGCDLO C[C@H]([NH2+]CCN(C)CC(F)F)c1cc(Br)cc(F)c1O ZINC000858597260 732229802 /nfs/dbraw/zinc/22/98/02/732229802.db2.gz NHHRIZJGEIMEFL-QMMMGPOBSA-N 1 2 355.198 3.141 20 10 FGCDLO CC[N@H+](Cc1cn(C)nc1Br)Cc1ccc(N(C)C)cc1 ZINC000862212454 732786393 /nfs/dbraw/zinc/78/63/93/732786393.db2.gz SIWZPSISJUKDQN-UHFFFAOYSA-N 1 2 351.292 3.271 20 10 FGCDLO CC[N@@H+](Cc1cn(C)nc1Br)Cc1ccc(N(C)C)cc1 ZINC000862212454 732786397 /nfs/dbraw/zinc/78/63/97/732786397.db2.gz SIWZPSISJUKDQN-UHFFFAOYSA-N 1 2 351.292 3.271 20 10 FGCDLO Cc1cnc(N2CC[NH+](Cc3c(O)cccc3Br)CC2)s1 ZINC000862246201 732796688 /nfs/dbraw/zinc/79/66/88/732796688.db2.gz CASQUSDCMKLOJU-UHFFFAOYSA-N 1 2 368.300 3.242 20 10 FGCDLO CCC1(CC)C[N@H+](Cc2c(O)cccc2Br)CC[S@@]1=O ZINC000862327408 732808844 /nfs/dbraw/zinc/80/88/44/732808844.db2.gz CETJASMVTZUIHL-FQEVSTJZSA-N 1 2 360.317 3.278 20 10 FGCDLO CCC1(CC)C[N@@H+](Cc2c(O)cccc2Br)CC[S@@]1=O ZINC000862327408 732808846 /nfs/dbraw/zinc/80/88/46/732808846.db2.gz CETJASMVTZUIHL-FQEVSTJZSA-N 1 2 360.317 3.278 20 10 FGCDLO C[C@@H]([NH2+]CCC[C@H]1CCOC1=O)c1cc(Br)cc(F)c1O ZINC000872112854 735589741 /nfs/dbraw/zinc/58/97/41/735589741.db2.gz LFTNOOQAQJAHEJ-ZJUUUORDSA-N 1 2 360.223 3.288 20 10 FGCDLO Cc1ccc(C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3O)CC2)s1 ZINC000876652468 736127140 /nfs/dbraw/zinc/12/71/40/736127140.db2.gz PBZGAIQUBZLJEF-UHFFFAOYSA-N 1 2 366.433 3.435 20 10 FGCDLO COC(=O)c1cnc([C@@H]2CCC[N@H+](Cc3ccc(F)c(F)c3O)C2)s1 ZINC000877643767 736698836 /nfs/dbraw/zinc/69/88/36/736698836.db2.gz IRRSECAFYHVRAC-LLVKDONJSA-N 1 2 368.405 3.293 20 10 FGCDLO COC(=O)c1cnc([C@@H]2CCC[N@@H+](Cc3ccc(F)c(F)c3O)C2)s1 ZINC000877643767 736698837 /nfs/dbraw/zinc/69/88/37/736698837.db2.gz IRRSECAFYHVRAC-LLVKDONJSA-N 1 2 368.405 3.293 20 10 FGCDLO COC(=O)c1cc(C2CC[NH+](Cc3cccc(Cl)c3O)CC2)no1 ZINC000877704580 736708553 /nfs/dbraw/zinc/70/85/53/736708553.db2.gz RDLPDUNMKOHYLZ-UHFFFAOYSA-N 1 2 350.802 3.200 20 10 FGCDLO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cccc(Cl)c2O)cc1OC ZINC000877831040 736733519 /nfs/dbraw/zinc/73/35/19/736733519.db2.gz NVZDNTOQEYEFRE-LJQANCHMSA-N 1 2 365.857 3.146 20 10 FGCDLO COc1ccccc1[C@H](O)C[NH2+]Cc1cc(Br)cc(F)c1O ZINC000882910978 737503048 /nfs/dbraw/zinc/50/30/48/737503048.db2.gz HALFYVNKGKVENL-CQSZACIVSA-N 1 2 370.218 3.126 20 10 FGCDLO COC(=O)c1cnc(C[NH2+]Cc2ccc(N3CCC(C)CC3)cc2)s1 ZINC000894251727 742258301 /nfs/dbraw/zinc/25/83/01/742258301.db2.gz YDBRUMLOYOJUPB-UHFFFAOYSA-N 1 2 359.495 3.456 20 10 FGCDLO Oc1c(F)cc(Br)cc1C[NH2+]C[C@]12C[C@H]1COC21CCC1 ZINC000898060766 742739315 /nfs/dbraw/zinc/73/93/15/742739315.db2.gz HWJTZHOWUJJRGA-XHDPSFHLSA-N 1 2 356.235 3.343 20 10 FGCDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@@H]1CCc2ncc(Br)n2C1 ZINC000898726065 742826933 /nfs/dbraw/zinc/82/69/33/742826933.db2.gz WYJLQBQTVDRUMT-SNVBAGLBSA-N 1 2 374.641 3.248 20 10 FGCDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000900339219 743098151 /nfs/dbraw/zinc/09/81/51/743098151.db2.gz FOXSQJGLCDZLKA-INIZCTEOSA-N 1 2 359.451 3.354 20 10 FGCDLO COc1ccc([NH+]2CCC(Nc3ccccc3S(C)(=O)=O)CC2)cc1 ZINC000077962345 494205744 /nfs/dbraw/zinc/20/57/44/494205744.db2.gz MFHINJYVJSUXDK-UHFFFAOYSA-N 1 2 360.479 3.180 20 10 FGCDLO CCCN(Cc1ccccc1O)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000066699916 494389196 /nfs/dbraw/zinc/38/91/96/494389196.db2.gz QNHAKIFUPRASCN-UHFFFAOYSA-N 1 2 368.481 3.378 20 10 FGCDLO Cn1ccnc1[C@H](O)C1CC[NH+](Cc2cc(Cl)cc(Cl)c2O)CC1 ZINC000093454751 494892480 /nfs/dbraw/zinc/89/24/80/494892480.db2.gz WFGAKTBGKNIHRS-MRXNPFEDSA-N 1 2 370.280 3.378 20 10 FGCDLO CCc1[nH+]c2ccccc2n1C1CCN(C(=O)c2cccc(O)c2O)CC1 ZINC000185905799 495774958 /nfs/dbraw/zinc/77/49/58/495774958.db2.gz ZVIOENKJVSXOGG-UHFFFAOYSA-N 1 2 365.433 3.487 20 10 FGCDLO C[C@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)c1ccc(Cl)c(Cl)c1O ZINC000186375736 495972636 /nfs/dbraw/zinc/97/26/36/495972636.db2.gz QFDNSPPPNMYNIV-WDEREUQCSA-N 1 2 362.253 3.272 20 10 FGCDLO C[C@@H]([NH2+]Cc1ccc(N2CCCC2=O)cc1)c1cc([N+](=O)[O-])ccc1O ZINC000273364668 496784091 /nfs/dbraw/zinc/78/40/91/496784091.db2.gz DQBRNJIPYQNXPK-CYBMUJFWSA-N 1 2 355.394 3.278 20 10 FGCDLO CCOC(=O)c1csc([C@@H]2CCC[N@@H+]2Cc2cc(OC)ccc2O)n1 ZINC000191830241 496903612 /nfs/dbraw/zinc/90/36/12/496903612.db2.gz YRPFKNQPGBCWSX-HNNXBMFYSA-N 1 2 362.451 3.371 20 10 FGCDLO CCOC(=O)c1csc([C@@H]2CCC[N@H+]2Cc2cc(OC)ccc2O)n1 ZINC000191830241 496903618 /nfs/dbraw/zinc/90/36/18/496903618.db2.gz YRPFKNQPGBCWSX-HNNXBMFYSA-N 1 2 362.451 3.371 20 10 FGCDLO CC[NH+](CC)Cc1nc(C2(NCc3cccc(OC)c3O)CCCC2)no1 ZINC000266080416 497250740 /nfs/dbraw/zinc/25/07/40/497250740.db2.gz FOJPEYGYWBORRF-UHFFFAOYSA-N 1 2 374.485 3.185 20 10 FGCDLO Cc1nc(C2([NH2+]Cc3cc(Br)ccc3O)CCCC2)no1 ZINC000237705643 497279243 /nfs/dbraw/zinc/27/92/43/497279243.db2.gz KGZSIDNAXFOBJG-UHFFFAOYSA-N 1 2 352.232 3.405 20 10 FGCDLO Cn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000275358022 497301047 /nfs/dbraw/zinc/30/10/47/497301047.db2.gz ARMQGWLFNVBZLQ-ZFWWWQNUSA-N 1 2 356.253 3.442 20 10 FGCDLO CN(C)c1ccc(CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C2CC2)cc1 ZINC000272333262 497598833 /nfs/dbraw/zinc/59/88/33/497598833.db2.gz VWHROHDVZWRBLT-UHFFFAOYSA-N 1 2 361.449 3.138 20 10 FGCDLO CCN(CC)c1ccc(C[NH2+][C@@H]2CS(=O)(=O)c3ccccc32)cc1F ZINC000267914795 497638825 /nfs/dbraw/zinc/63/88/25/497638825.db2.gz GFIIBOQCWSQFHY-QGZVFWFLSA-N 1 2 362.470 3.290 20 10 FGCDLO C[C@@H]([NH2+]C[C@H](c1cccs1)N1CCOCC1)c1ccc(F)c(F)c1O ZINC000191183178 497736970 /nfs/dbraw/zinc/73/69/70/497736970.db2.gz IOTCMXGPYGNXNH-IUODEOHRSA-N 1 2 368.449 3.456 20 10 FGCDLO CN(C)c1ccc(CN(Cc2ccco2)C(=O)CCn2cc[nH+]c2)cc1 ZINC000299642730 497879206 /nfs/dbraw/zinc/87/92/06/497879206.db2.gz VPGOWECBVAMHOP-UHFFFAOYSA-N 1 2 352.438 3.161 20 10 FGCDLO C[C@@H]([NH2+]CC1(S(C)(=O)=O)CCC1)c1ccc(Cl)c(Cl)c1O ZINC000280848851 497921559 /nfs/dbraw/zinc/92/15/59/497921559.db2.gz BIQYMEMZAUQNIR-SECBINFHSA-N 1 2 352.283 3.317 20 10 FGCDLO COc1ccc([NH+]2CCC(Nc3nnnn3-c3ccc(C)cc3)CC2)cc1 ZINC000301193500 497993115 /nfs/dbraw/zinc/99/31/15/497993115.db2.gz SRKAYHXSHHEFFA-UHFFFAOYSA-N 1 2 364.453 3.060 20 10 FGCDLO Oc1c(Br)cccc1C[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000289512742 498175489 /nfs/dbraw/zinc/17/54/89/498175489.db2.gz DGJIJFIRRNTBHD-GXSJLCMTSA-N 1 2 354.166 3.354 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)c3cc(C(C)C)n[nH]3)CC2)cc1 ZINC000360173288 498254137 /nfs/dbraw/zinc/25/41/37/498254137.db2.gz NDYASEMGTJTINF-UHFFFAOYSA-N 1 2 356.470 3.283 20 10 FGCDLO Cc1cc(NCCc2ccc(O)c(O)c2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301827865 498282420 /nfs/dbraw/zinc/28/24/20/498282420.db2.gz NVVOCBVRNZNBNM-UHFFFAOYSA-N 1 2 366.377 3.426 20 10 FGCDLO O=C(Nc1nccs1)C1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000360796384 498312215 /nfs/dbraw/zinc/31/22/15/498312215.db2.gz ZMWKNXJEZYDYTC-UHFFFAOYSA-N 1 2 351.859 3.353 20 10 FGCDLO COc1ccc(-n2c(C)cc(C(=O)N[C@H]3CCc4[nH+]c[nH]c4C3)c2C)cc1 ZINC000361278487 498370065 /nfs/dbraw/zinc/37/00/65/498370065.db2.gz MVHBNGPFDRRQIT-HNNXBMFYSA-N 1 2 364.449 3.113 20 10 FGCDLO COc1ccc(-n2c(C)cc(C(=O)N[C@H]3CCc4[nH]c[nH+]c4C3)c2C)cc1 ZINC000361278487 498370073 /nfs/dbraw/zinc/37/00/73/498370073.db2.gz MVHBNGPFDRRQIT-HNNXBMFYSA-N 1 2 364.449 3.113 20 10 FGCDLO CCCC[N@H+](Cc1noc(CCCC(=O)OC)n1)Cc1ccccc1O ZINC000282426387 498506587 /nfs/dbraw/zinc/50/65/87/498506587.db2.gz JSWVSJVBGWJGSZ-UHFFFAOYSA-N 1 2 361.442 3.073 20 10 FGCDLO CCCC[N@@H+](Cc1noc(CCCC(=O)OC)n1)Cc1ccccc1O ZINC000282426387 498506592 /nfs/dbraw/zinc/50/65/92/498506592.db2.gz JSWVSJVBGWJGSZ-UHFFFAOYSA-N 1 2 361.442 3.073 20 10 FGCDLO CCN(CC)c1ccc(CNC(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)cc1 ZINC000370965102 499275766 /nfs/dbraw/zinc/27/57/66/499275766.db2.gz KGIGHHSMRQHFBZ-SFHVURJKSA-N 1 2 369.513 3.415 20 10 FGCDLO CCCOc1ccc(C[N@@H+]2CCOC[C@H]2c2c(C)nn(C)c2C)c(O)c1 ZINC000375262803 499500814 /nfs/dbraw/zinc/50/08/14/499500814.db2.gz XVQDJJMMDAPWJG-SFHVURJKSA-N 1 2 359.470 3.105 20 10 FGCDLO CCCOc1ccc(C[N@H+]2CCOC[C@H]2c2c(C)nn(C)c2C)c(O)c1 ZINC000375262803 499500816 /nfs/dbraw/zinc/50/08/16/499500816.db2.gz XVQDJJMMDAPWJG-SFHVURJKSA-N 1 2 359.470 3.105 20 10 FGCDLO COc1ccc(N2CCCN(C(=O)Nc3c(C)cc[nH+]c3C)CC2)cc1 ZINC000376622262 499623844 /nfs/dbraw/zinc/62/38/44/499623844.db2.gz NVSGULKQYRENCR-UHFFFAOYSA-N 1 2 354.454 3.451 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2Cn2nc(C)nc2C)c1O ZINC000377985276 499753289 /nfs/dbraw/zinc/75/32/89/499753289.db2.gz FYRRTHHTIHLLDR-MRXNPFEDSA-N 1 2 362.861 3.121 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H]2Cn2nc(C)nc2C)c1O ZINC000377985276 499753291 /nfs/dbraw/zinc/75/32/91/499753291.db2.gz FYRRTHHTIHLLDR-MRXNPFEDSA-N 1 2 362.861 3.121 20 10 FGCDLO O=C(Nc1ccc(/N=N/c2ccccc2)cc1)C(=O)N1CCn2c[nH+]cc2C1 ZINC000378022984 499755211 /nfs/dbraw/zinc/75/52/11/499755211.db2.gz CPWFKYCWJSUBFT-WCWDXBQESA-N 1 2 374.404 3.279 20 10 FGCDLO CCc1nc(CN2CC[NH+](Cc3cc(Cl)ccc3O)CC2)cs1 ZINC000092504836 700437009 /nfs/dbraw/zinc/43/70/09/700437009.db2.gz AMYGFKDBMGEXSP-UHFFFAOYSA-N 1 2 351.903 3.382 20 10 FGCDLO C[C@H]([NH2+]Cc1cccc(Br)c1O)c1nnc2n1CCCCC2 ZINC000314644098 713805555 /nfs/dbraw/zinc/80/55/55/713805555.db2.gz LERNOZPCSUVPJX-NSHDSACASA-N 1 2 365.275 3.323 20 10 FGCDLO COCCOCCCC[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000756515084 722966032 /nfs/dbraw/zinc/96/60/32/722966032.db2.gz BTQGOJNPIIFSIY-NSHDSACASA-N 1 2 364.255 3.388 20 10 FGCDLO COc1ccccc1C(=O)N1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000768253142 723652019 /nfs/dbraw/zinc/65/20/19/723652019.db2.gz VIBDEXHHHUCLOQ-UHFFFAOYSA-N 1 2 360.841 3.012 20 10 FGCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCCC[C@H]2C2OCCO2)c1 ZINC000781913765 724611876 /nfs/dbraw/zinc/61/18/76/724611876.db2.gz TZYFPVFRYJVERP-AWEZNQCLSA-N 1 2 356.260 3.191 20 10 FGCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCCC[C@H]2C2OCCO2)c1 ZINC000781913765 724611879 /nfs/dbraw/zinc/61/18/79/724611879.db2.gz TZYFPVFRYJVERP-AWEZNQCLSA-N 1 2 356.260 3.191 20 10 FGCDLO O=C1/C(=C/c2cc(-n3cc[nH+]c3)cs2)SC(=S)N1Cc1ccon1 ZINC000783693998 724779227 /nfs/dbraw/zinc/77/92/27/724779227.db2.gz SZBHXSVIHFHZPG-MLPAPPSSSA-N 1 2 374.472 3.323 20 10 FGCDLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000753545803 722903660 /nfs/dbraw/zinc/90/36/60/722903660.db2.gz HPBVKQSPVGWMKO-RKPUJPDHSA-N 1 2 359.491 3.313 20 10 FGCDLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000753545803 722903661 /nfs/dbraw/zinc/90/36/61/722903661.db2.gz HPBVKQSPVGWMKO-RKPUJPDHSA-N 1 2 359.491 3.313 20 10 FGCDLO C[C@@H]([NH2+]CCNc1nccc(C(F)(F)F)n1)c1cc(F)cc(F)c1O ZINC000756584945 722967168 /nfs/dbraw/zinc/96/71/68/722967168.db2.gz HHWXTDBMURUOMD-MRVPVSSYSA-N 1 2 362.302 3.242 20 10 FGCDLO CSC[C@@H](CCO)[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000756604178 722967617 /nfs/dbraw/zinc/96/76/17/722967617.db2.gz MELISSIBZHFWNS-DTWKUNHWSA-N 1 2 352.269 3.058 20 10 FGCDLO C[C@H]([NH2+][C@@H](C)c1cc(Br)c(F)cc1O)c1nnnn1C1CC1 ZINC000790754720 723174307 /nfs/dbraw/zinc/17/43/07/723174307.db2.gz JGCSBHGWZBIMTD-YUMQZZPRSA-N 1 2 370.226 3.027 20 10 FGCDLO CCCN1CCC[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)CC1=O ZINC000793171222 723406816 /nfs/dbraw/zinc/40/68/16/723406816.db2.gz ZJMLSTAOQDGZJT-UHFFFAOYSA-N 1 2 357.420 3.216 20 10 FGCDLO CCCN1CCC[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)CC1=O ZINC000793171222 723406820 /nfs/dbraw/zinc/40/68/20/723406820.db2.gz ZJMLSTAOQDGZJT-UHFFFAOYSA-N 1 2 357.420 3.216 20 10 FGCDLO CC[C@@H]1C[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C[C@@]2(CCOC2)O1 ZINC000796550005 723643250 /nfs/dbraw/zinc/64/32/50/723643250.db2.gz ALWJLMSPSUUCNZ-CRAIPNDOSA-N 1 2 353.846 3.018 20 10 FGCDLO CC[C@@H]1C[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C[C@@]2(CCOC2)O1 ZINC000796550005 723643251 /nfs/dbraw/zinc/64/32/51/723643251.db2.gz ALWJLMSPSUUCNZ-CRAIPNDOSA-N 1 2 353.846 3.018 20 10 FGCDLO Oc1cc2c(cc1C[N@@H+]1Cc3cccc(Br)c3C1)[C@H](O)CO2 ZINC000769788936 723695331 /nfs/dbraw/zinc/69/53/31/723695331.db2.gz DKOGLGOPRDSZGP-MRXNPFEDSA-N 1 2 362.223 3.096 20 10 FGCDLO Oc1cc2c(cc1C[N@H+]1Cc3cccc(Br)c3C1)[C@H](O)CO2 ZINC000769788936 723695332 /nfs/dbraw/zinc/69/53/32/723695332.db2.gz DKOGLGOPRDSZGP-MRXNPFEDSA-N 1 2 362.223 3.096 20 10 FGCDLO C[C@@H]1[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2O)CC(=O)N1Cc1ccccc1 ZINC000798966990 723980948 /nfs/dbraw/zinc/98/09/48/723980948.db2.gz MWBHIQXKWNLEEL-PXAZEXFGSA-N 1 2 362.832 3.464 20 10 FGCDLO CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1cccc(Cl)c1[O-] ZINC000806137097 725117550 /nfs/dbraw/zinc/11/75/50/725117550.db2.gz KEWHBEPPMWHAOW-IAGOWNOFSA-N 1 2 367.921 3.029 20 10 FGCDLO CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1cccc(Cl)c1[O-] ZINC000806137097 725117551 /nfs/dbraw/zinc/11/75/51/725117551.db2.gz KEWHBEPPMWHAOW-IAGOWNOFSA-N 1 2 367.921 3.029 20 10 FGCDLO CO[C@@H](C)C[N@H+](C)Cc1cc(Br)cc(Br)c1O ZINC000809718143 725262098 /nfs/dbraw/zinc/26/20/98/725262098.db2.gz REBKATMQPKTHCG-QMMMGPOBSA-N 1 2 367.081 3.384 20 10 FGCDLO CO[C@@H](C)C[N@@H+](C)Cc1cc(Br)cc(Br)c1O ZINC000809718143 725262100 /nfs/dbraw/zinc/26/21/00/725262100.db2.gz REBKATMQPKTHCG-QMMMGPOBSA-N 1 2 367.081 3.384 20 10 FGCDLO C[C@H]1CC[N@H+](Cc2cc(Cl)ccc2O)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000809769693 725267124 /nfs/dbraw/zinc/26/71/24/725267124.db2.gz QVWXPZSWXQYJIC-BHDSKKPTSA-N 1 2 364.795 3.323 20 10 FGCDLO C[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000809769693 725267126 /nfs/dbraw/zinc/26/71/26/725267126.db2.gz QVWXPZSWXQYJIC-BHDSKKPTSA-N 1 2 364.795 3.323 20 10 FGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]CCCn1cc(Br)cn1 ZINC000809783534 725268411 /nfs/dbraw/zinc/26/84/11/725268411.db2.gz GWCGDTYDVCJBJT-UHFFFAOYSA-N 1 2 362.630 3.324 20 10 FGCDLO COc1cc(Br)cc(C[N@@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)c1O ZINC000816666921 727187750 /nfs/dbraw/zinc/18/77/50/727187750.db2.gz YIIHCYGVLOCXMN-DLBZAZTESA-N 1 2 368.271 3.307 20 10 FGCDLO COc1cc(Br)cc(C[N@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)c1O ZINC000816666921 727187751 /nfs/dbraw/zinc/18/77/51/727187751.db2.gz YIIHCYGVLOCXMN-DLBZAZTESA-N 1 2 368.271 3.307 20 10 FGCDLO COc1ccc(OC)c2c1C[N@H+](Cc1cc(Cl)c(C)cc1O)C[C@H]2O ZINC000824534476 729345973 /nfs/dbraw/zinc/34/59/73/729345973.db2.gz DOZQDUNZTHZBCP-MRXNPFEDSA-N 1 2 363.841 3.420 20 10 FGCDLO COc1ccc(OC)c2c1C[N@@H+](Cc1cc(Cl)c(C)cc1O)C[C@H]2O ZINC000824534476 729345974 /nfs/dbraw/zinc/34/59/74/729345974.db2.gz DOZQDUNZTHZBCP-MRXNPFEDSA-N 1 2 363.841 3.420 20 10 FGCDLO O=C1NCCCN1c1ccc(C[NH2+]Cc2cc(Cl)cc(F)c2O)cc1 ZINC000827762172 729434427 /nfs/dbraw/zinc/43/44/27/729434427.db2.gz BEALCWJMCSTKSD-UHFFFAOYSA-N 1 2 363.820 3.394 20 10 FGCDLO Cc1nc(CN2CC[NH+](Cc3c(O)cc(C)cc3Cl)CC2)cs1 ZINC000840910254 730190024 /nfs/dbraw/zinc/19/00/24/730190024.db2.gz PAJCEKXINPYOOX-UHFFFAOYSA-N 1 2 351.903 3.437 20 10 FGCDLO CN(C)c1ccc(C[N@@H+]2CCO[C@]3(CCSC3)C2)c(C(F)(F)F)c1 ZINC000843417368 730617973 /nfs/dbraw/zinc/61/79/73/730617973.db2.gz CZZOAWXWFUGBMH-MRXNPFEDSA-N 1 2 360.445 3.479 20 10 FGCDLO CN(C)c1ccc(C[N@H+]2CCO[C@]3(CCSC3)C2)c(C(F)(F)F)c1 ZINC000843417368 730617976 /nfs/dbraw/zinc/61/79/76/730617976.db2.gz CZZOAWXWFUGBMH-MRXNPFEDSA-N 1 2 360.445 3.479 20 10 FGCDLO COc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)c2csnn2)c1O ZINC000848552727 731180588 /nfs/dbraw/zinc/18/05/88/731180588.db2.gz DJPSZBATSMRCDK-YUMQZZPRSA-N 1 2 358.261 3.427 20 10 FGCDLO OC[C@H]([NH2+]Cc1ccc(F)c(F)c1O)c1ccccc1OC(F)(F)F ZINC000877491888 736671400 /nfs/dbraw/zinc/67/14/00/736671400.db2.gz QJCSUQHXXARLMY-LBPRGKRZSA-N 1 2 363.282 3.392 20 10 FGCDLO Oc1c(F)cc(Br)cc1C[NH2+]Cc1nccn1C(F)F ZINC000882933766 737504655 /nfs/dbraw/zinc/50/46/55/737504655.db2.gz OINJBJKSPZFMRV-UHFFFAOYSA-N 1 2 350.138 3.175 20 10 FGCDLO CSCc1n[nH]c(C[NH2+][C@H](C)c2cc(Br)cc(C)c2O)n1 ZINC000886757451 739292501 /nfs/dbraw/zinc/29/25/01/739292501.db2.gz HRXJMJVCWWTFBZ-SECBINFHSA-N 1 2 371.304 3.295 20 10 FGCDLO Oc1c(F)cc(Br)cc1C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000894083488 742236462 /nfs/dbraw/zinc/23/64/62/742236462.db2.gz DZDDWDCQGAJJCW-CHWSQXEVSA-N 1 2 362.264 3.000 20 10 FGCDLO Oc1c(F)cc(Br)cc1C[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000894083488 742236463 /nfs/dbraw/zinc/23/64/63/742236463.db2.gz DZDDWDCQGAJJCW-CHWSQXEVSA-N 1 2 362.264 3.000 20 10 FGCDLO C[C@H](NCc1cc(N(C)C)cc[nH+]1)c1cc(Br)ccc1O ZINC000903198704 743821312 /nfs/dbraw/zinc/82/13/12/743821312.db2.gz PDZFXASGMMLQOD-NSHDSACASA-N 1 2 350.260 3.467 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)NCc3nc(C)cs3)CC2)cc1 ZINC000066176522 494283933 /nfs/dbraw/zinc/28/39/33/494283933.db2.gz FJCBCPCNNKQWKI-UHFFFAOYSA-N 1 2 374.510 3.271 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)CC[C@H]3CC[C@@H](C)O3)CC2)cc1 ZINC000075197051 494706240 /nfs/dbraw/zinc/70/62/40/494706240.db2.gz GRPYXIHRPZADFO-OXQOHEQNSA-N 1 2 360.498 3.470 20 10 FGCDLO COc1cc(Br)cc(C[N@@H+]2CCO[C@H](c3ccco3)C2)c1O ZINC000093841248 494926445 /nfs/dbraw/zinc/92/64/45/494926445.db2.gz YRSGDOXEZJILPF-HNNXBMFYSA-N 1 2 368.227 3.330 20 10 FGCDLO COc1cc(Br)cc(C[N@H+]2CCO[C@H](c3ccco3)C2)c1O ZINC000093841248 494926448 /nfs/dbraw/zinc/92/64/48/494926448.db2.gz YRSGDOXEZJILPF-HNNXBMFYSA-N 1 2 368.227 3.330 20 10 FGCDLO C[C@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1cc(Br)cc(F)c1O ZINC000186115307 495861114 /nfs/dbraw/zinc/86/11/14/495861114.db2.gz NWKACFJPRJFUTK-GZMMTYOYSA-N 1 2 354.223 3.225 20 10 FGCDLO COc1cc(O)c(C[N@@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)cc1OC ZINC000160116883 495887627 /nfs/dbraw/zinc/88/76/27/495887627.db2.gz ASTOGASFGRGLAU-LJQANCHMSA-N 1 2 365.376 3.261 20 10 FGCDLO COc1cc(O)c(C[N@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)cc1OC ZINC000160116883 495887636 /nfs/dbraw/zinc/88/76/36/495887636.db2.gz ASTOGASFGRGLAU-LJQANCHMSA-N 1 2 365.376 3.261 20 10 FGCDLO C[C@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)c1ccc(Cl)c(Cl)c1O ZINC000186375773 495972355 /nfs/dbraw/zinc/97/23/55/495972355.db2.gz QFDNSPPPNMYNIV-QWRGUYRKSA-N 1 2 362.253 3.272 20 10 FGCDLO Cc1ccc([C@H](C[NH2+]Cc2cccc(Cl)c2O)N2CCOCC2)o1 ZINC000182125349 496679234 /nfs/dbraw/zinc/67/92/34/496679234.db2.gz ZGHNCXCKZDBRCG-INIZCTEOSA-N 1 2 350.846 3.110 20 10 FGCDLO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2csc([C@H](C)OC)n2)c1 ZINC000273568819 496842693 /nfs/dbraw/zinc/84/26/93/496842693.db2.gz KGPYFMZFHOUMFY-MNOVXSKESA-N 1 2 350.440 3.194 20 10 FGCDLO C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)c1ccc(F)c(F)c1[O-] ZINC000364790881 498144648 /nfs/dbraw/zinc/14/46/48/498144648.db2.gz NVGVMNVCCRUOAT-VEVIJQCQSA-N 1 2 364.440 3.138 20 10 FGCDLO C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)c1ccc(F)c(F)c1[O-] ZINC000364790881 498144653 /nfs/dbraw/zinc/14/46/53/498144653.db2.gz NVGVMNVCCRUOAT-VEVIJQCQSA-N 1 2 364.440 3.138 20 10 FGCDLO COCCn1ncc2c1[C@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1O)CCC2 ZINC000364798667 498149163 /nfs/dbraw/zinc/14/91/63/498149163.db2.gz ZPWLRELSZGQCOB-XHDPSFHLSA-N 1 2 351.397 3.242 20 10 FGCDLO Cc1noc([C@H]2CCC[N@H+]2Cc2cc(Br)cc(C)c2O)n1 ZINC000289915085 498351530 /nfs/dbraw/zinc/35/15/30/498351530.db2.gz VHSUQNXYEMKJMD-CYBMUJFWSA-N 1 2 352.232 3.492 20 10 FGCDLO Cc1ccc(C2CCN(c3cc4c(cc3[N+](=O)[O-])OCC(=O)N4)CC2)c[nH+]1 ZINC000363675894 498938212 /nfs/dbraw/zinc/93/82/12/498938212.db2.gz VAKFSCKRMVTBRY-UHFFFAOYSA-N 1 2 368.393 3.013 20 10 FGCDLO CC[C@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1cccc(Cl)c1O ZINC000367912451 499244486 /nfs/dbraw/zinc/24/44/86/499244486.db2.gz PZXNSOQFDXLUIZ-INIZCTEOSA-N 1 2 372.918 3.043 20 10 FGCDLO Oc1c(Cl)cccc1C[NH2+][C@@H]1CCc2nnc(Cc3ccccc3)n2C1 ZINC000378536007 499529349 /nfs/dbraw/zinc/52/93/49/499529349.db2.gz SOPSQZWKSXJDLN-MRXNPFEDSA-N 1 2 368.868 3.333 20 10 FGCDLO Oc1c(Cl)cc(Cl)cc1C[NH+]1CCC([C@H](O)c2ncc[nH]2)CC1 ZINC000375694539 499546051 /nfs/dbraw/zinc/54/60/51/499546051.db2.gz VZUUWXYXTNYYEU-HNNXBMFYSA-N 1 2 356.253 3.368 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)N[C@H]3CSC[C@@H]3C)CC2)cc1 ZINC000377194650 499669491 /nfs/dbraw/zinc/66/94/91/499669491.db2.gz FNYBUODDJYBJPI-KSSFIOAISA-N 1 2 363.527 3.057 20 10 FGCDLO c1ccc2c(c1)[nH+]cc(-c1nn[nH]n1)c2NCc1ccc(N2CCCC2)cc1 ZINC000738437287 599274699 /nfs/dbraw/zinc/27/46/99/599274699.db2.gz NSELCWNFPDORQJ-UHFFFAOYSA-N 1 2 371.448 3.049 20 10 FGCDLO COC[C@@H](C)[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000132562828 700829017 /nfs/dbraw/zinc/82/90/17/700829017.db2.gz RYOXMEPDPJAKHZ-SSDOTTSWSA-N 1 2 353.054 3.042 20 10 FGCDLO C[C@@H]([NH2+][C@H](CO)CC(F)F)c1cc(Br)cc(Cl)c1O ZINC000760052245 723035597 /nfs/dbraw/zinc/03/55/97/723035597.db2.gz QSRGMVXDYZXUSS-SVRRBLITSA-N 1 2 358.610 3.475 20 10 FGCDLO CC[C@H]1C[N@H+](Cc2cc(C)cc(Br)c2O)C[C@@]2(CCOC2)O1 ZINC000793360875 723429555 /nfs/dbraw/zinc/42/95/55/723429555.db2.gz GXPJQUPISKFYHI-WMLDXEAASA-N 1 2 370.287 3.233 20 10 FGCDLO CC[C@H]1C[N@@H+](Cc2cc(C)cc(Br)c2O)C[C@@]2(CCOC2)O1 ZINC000793360875 723429558 /nfs/dbraw/zinc/42/95/58/723429558.db2.gz GXPJQUPISKFYHI-WMLDXEAASA-N 1 2 370.287 3.233 20 10 FGCDLO C[C@@H]([NH2+]CC1(N2CCOCC2)CCCCC1)c1cc(F)cc(F)c1O ZINC000756352142 722963310 /nfs/dbraw/zinc/96/33/10/722963310.db2.gz QWVIDDDZWFWCAH-CQSZACIVSA-N 1 2 354.441 3.356 20 10 FGCDLO C[C@@H]([NH2+][C@@H](C(N)=O)c1ccccc1)c1cc(Br)cc(F)c1O ZINC000756379767 722963639 /nfs/dbraw/zinc/96/36/39/722963639.db2.gz BMRJFMFNVASODH-YMTOWFKASA-N 1 2 367.218 3.171 20 10 FGCDLO CSC[C@H](CCO)[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000756604176 722967626 /nfs/dbraw/zinc/96/76/26/722967626.db2.gz MELISSIBZHFWNS-BDAKNGLRSA-N 1 2 352.269 3.058 20 10 FGCDLO C[C@H]([NH2+]CC[C@H](C)[S@](C)=O)c1cc(Br)c(F)cc1O ZINC000756762653 722969693 /nfs/dbraw/zinc/96/96/93/722969693.db2.gz QBHYYQIESWCEPZ-OWXODZSWSA-N 1 2 352.269 3.102 20 10 FGCDLO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1c(O)ccc(Cl)c1F ZINC000792157405 723316376 /nfs/dbraw/zinc/31/63/76/723316376.db2.gz WIDCEGWOUIEBPO-JTQLQIEISA-N 1 2 372.849 3.025 20 10 FGCDLO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1c(O)ccc(Cl)c1F ZINC000792157405 723316382 /nfs/dbraw/zinc/31/63/82/723316382.db2.gz WIDCEGWOUIEBPO-JTQLQIEISA-N 1 2 372.849 3.025 20 10 FGCDLO CC(=O)N1CC[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C(C)(C)C1 ZINC000793064299 723397321 /nfs/dbraw/zinc/39/73/21/723397321.db2.gz CULHNPDODMOBJL-UHFFFAOYSA-N 1 2 357.420 3.214 20 10 FGCDLO CC(=O)N1CC[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C(C)(C)C1 ZINC000793064299 723397325 /nfs/dbraw/zinc/39/73/25/723397325.db2.gz CULHNPDODMOBJL-UHFFFAOYSA-N 1 2 357.420 3.214 20 10 FGCDLO COc1cc(Br)cc(C[N@@H+]2CCOC[C@H]2CC(C)C)c1O ZINC000769399491 723684422 /nfs/dbraw/zinc/68/44/22/723684422.db2.gz SFIKFXLPJSHQPL-CQSZACIVSA-N 1 2 358.276 3.410 20 10 FGCDLO COc1cc(Br)cc(C[N@H+]2CCOC[C@H]2CC(C)C)c1O ZINC000769399491 723684423 /nfs/dbraw/zinc/68/44/23/723684423.db2.gz SFIKFXLPJSHQPL-CQSZACIVSA-N 1 2 358.276 3.410 20 10 FGCDLO CC[N@H+](CCOC)Cc1cc(Br)cc(Br)c1O ZINC000775648712 724015340 /nfs/dbraw/zinc/01/53/40/724015340.db2.gz IOOHZTYSSDQIEX-UHFFFAOYSA-N 1 2 367.081 3.386 20 10 FGCDLO CC[N@@H+](CCOC)Cc1cc(Br)cc(Br)c1O ZINC000775648712 724015352 /nfs/dbraw/zinc/01/53/52/724015352.db2.gz IOOHZTYSSDQIEX-UHFFFAOYSA-N 1 2 367.081 3.386 20 10 FGCDLO CO[C@@H]1CC[N@H+](Cc2cc(Br)cc(Br)c2O)C1 ZINC000775701013 724027648 /nfs/dbraw/zinc/02/76/48/724027648.db2.gz AKIDCPJAXQGFCU-SNVBAGLBSA-N 1 2 365.065 3.138 20 10 FGCDLO CO[C@@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2O)C1 ZINC000775701013 724027657 /nfs/dbraw/zinc/02/76/57/724027657.db2.gz AKIDCPJAXQGFCU-SNVBAGLBSA-N 1 2 365.065 3.138 20 10 FGCDLO O=C(NCc1cc(Br)ccc1O)Nc1ccc2[nH+]ccn2c1 ZINC000806290393 725122976 /nfs/dbraw/zinc/12/29/76/725122976.db2.gz VFMQHLRXHWYVGW-UHFFFAOYSA-N 1 2 361.199 3.124 20 10 FGCDLO Cc1ccc2[nH+]c(CSCC(=O)N[C@@H](C)c3ccccc3O)cn2c1 ZINC000827982611 729438032 /nfs/dbraw/zinc/43/80/32/729438032.db2.gz ZJRFVIKCSQOWKW-AWEZNQCLSA-N 1 2 355.463 3.459 20 10 FGCDLO Cc1cc(Cl)cc(C[N@@H+]2CCN(C(=O)c3cscn3)[C@@H](C)C2)c1O ZINC000835057515 729854119 /nfs/dbraw/zinc/85/41/19/729854119.db2.gz PTMBURJMAZLTHD-LBPRGKRZSA-N 1 2 365.886 3.157 20 10 FGCDLO Cc1cc(Cl)cc(C[N@H+]2CCN(C(=O)c3cscn3)[C@@H](C)C2)c1O ZINC000835057515 729854121 /nfs/dbraw/zinc/85/41/21/729854121.db2.gz PTMBURJMAZLTHD-LBPRGKRZSA-N 1 2 365.886 3.157 20 10 FGCDLO OC[C@H](C[NH2+]Cc1cccc(Br)c1O)c1ccc(F)cc1 ZINC000840962829 730198269 /nfs/dbraw/zinc/19/82/69/730198269.db2.gz JYTPIBOAXQRNMA-ZDUSSCGKSA-N 1 2 354.219 3.160 20 10 FGCDLO COc1cc(Br)cc([C@H](C)[NH2+][C@H](C)c2csnn2)c1O ZINC000848552725 731180571 /nfs/dbraw/zinc/18/05/71/731180571.db2.gz DJPSZBATSMRCDK-JGVFFNPUSA-N 1 2 358.261 3.427 20 10 FGCDLO C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000854233056 731806836 /nfs/dbraw/zinc/80/68/36/731806836.db2.gz WBDGEFUVDXQPSK-HTQZYQBOSA-N 1 2 366.097 3.176 20 10 FGCDLO C[C@H](N1CC[NH+](Cc2c(O)cccc2Br)CC1)C(F)(F)F ZINC000862252735 732799224 /nfs/dbraw/zinc/79/92/24/732799224.db2.gz WVBWDZUJIYDEQW-JTQLQIEISA-N 1 2 367.209 3.223 20 10 FGCDLO Oc1c(F)c(F)ccc1C[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000876728034 736137067 /nfs/dbraw/zinc/13/70/67/736137067.db2.gz WIJMBTOURFCGGZ-UHFFFAOYSA-N 1 2 372.213 3.467 20 10 FGCDLO CO[C@H]1C[C@@H]2C[N@H+](Cc3cccc(Cl)c3O)Cc3cccnc3N2C1 ZINC000877688225 736704784 /nfs/dbraw/zinc/70/47/84/736704784.db2.gz RPMIIGCELVUKCV-CVEARBPZSA-N 1 2 359.857 3.050 20 10 FGCDLO CO[C@H]1C[C@@H]2C[N@@H+](Cc3cccc(Cl)c3O)Cc3cccnc3N2C1 ZINC000877688225 736704787 /nfs/dbraw/zinc/70/47/87/736704787.db2.gz RPMIIGCELVUKCV-CVEARBPZSA-N 1 2 359.857 3.050 20 10 FGCDLO C[C@@H](C[C@@H](O)c1ccco1)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000883079274 737519712 /nfs/dbraw/zinc/51/97/12/737519712.db2.gz NZEIAHPSOKSGAL-TVQRCGJNSA-N 1 2 358.207 3.489 20 10 FGCDLO OC[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)c1ccccc1OC(F)(F)F ZINC000883108346 737524387 /nfs/dbraw/zinc/52/43/87/737524387.db2.gz DTHJOXDCKOBGLY-CYBMUJFWSA-N 1 2 363.282 3.392 20 10 FGCDLO CC(C)[C@@H]([NH2+]Cc1cc(Cl)cc(Br)c1O)c1nncn1C ZINC000883117362 737525879 /nfs/dbraw/zinc/52/58/79/737525879.db2.gz XMXWFMVAGPJKBI-GFCCVEGCSA-N 1 2 373.682 3.424 20 10 FGCDLO Oc1c(F)cc(Br)cc1C[NH2+]Cc1noc2c1CCCC2 ZINC000883121161 737526317 /nfs/dbraw/zinc/52/63/17/737526317.db2.gz ZHWZTHQOUQKUGK-UHFFFAOYSA-N 1 2 355.207 3.450 20 10 FGCDLO COCC[N@H+](Cc1cccnc1)Cc1cc(Br)cc(F)c1O ZINC000894766864 742330861 /nfs/dbraw/zinc/33/08/61/742330861.db2.gz WAYQCBAVNHFASO-UHFFFAOYSA-N 1 2 369.234 3.337 20 10 FGCDLO COCC[N@@H+](Cc1cccnc1)Cc1cc(Br)cc(F)c1O ZINC000894766864 742330866 /nfs/dbraw/zinc/33/08/66/742330866.db2.gz WAYQCBAVNHFASO-UHFFFAOYSA-N 1 2 369.234 3.337 20 10 FGCDLO OC[C@]1(C(F)(F)F)CC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000895836686 742459674 /nfs/dbraw/zinc/45/96/74/742459674.db2.gz DUDGKZQEIKTMFU-LBPRGKRZSA-N 1 2 372.156 3.041 20 10 FGCDLO OC[C@]1(C(F)(F)F)CC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000895836686 742459678 /nfs/dbraw/zinc/45/96/78/742459678.db2.gz DUDGKZQEIKTMFU-LBPRGKRZSA-N 1 2 372.156 3.041 20 10 FGCDLO CCS(=O)(=O)c1ccccc1CC[NH2+]Cc1cccc(Cl)c1O ZINC000896817384 742604026 /nfs/dbraw/zinc/60/40/26/742604026.db2.gz UYJWTOCCKVEXOZ-UHFFFAOYSA-N 1 2 353.871 3.172 20 10 FGCDLO C[C@H]([NH2+]CCO[C@@H]1CCOC1)c1cc(Br)cc(Cl)c1O ZINC000927081883 759887203 /nfs/dbraw/zinc/88/72/03/759887203.db2.gz YBHLPQMIPZIXBQ-GXSJLCMTSA-N 1 2 364.667 3.264 20 10 FGCDLO Cc1nnc([C@H]2Cc3ccccc3C[N@@H+]2Cc2cc3c(cc2O)OCO3)o1 ZINC000092356002 494605825 /nfs/dbraw/zinc/60/58/25/494605825.db2.gz KHUVSAHXULVXTR-MRXNPFEDSA-N 1 2 365.389 3.112 20 10 FGCDLO Cc1nnc([C@H]2Cc3ccccc3C[N@H+]2Cc2cc3c(cc2O)OCO3)o1 ZINC000092356002 494605829 /nfs/dbraw/zinc/60/58/29/494605829.db2.gz KHUVSAHXULVXTR-MRXNPFEDSA-N 1 2 365.389 3.112 20 10 FGCDLO CO[C@H](C)c1nc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cs1 ZINC000175051315 496227152 /nfs/dbraw/zinc/22/71/52/496227152.db2.gz OEYKNXWOCISADN-OAHLLOKOSA-N 1 2 361.511 3.319 20 10 FGCDLO CO[C@H](C)c1nc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)cs1 ZINC000175051315 496227157 /nfs/dbraw/zinc/22/71/57/496227157.db2.gz OEYKNXWOCISADN-OAHLLOKOSA-N 1 2 361.511 3.319 20 10 FGCDLO CCc1cc(N2CCC([NH2+][C@H](C)c3ccc(F)c(F)c3O)CC2)ncn1 ZINC000187745863 496553733 /nfs/dbraw/zinc/55/37/33/496553733.db2.gz VORJGAHBQFETCJ-GFCCVEGCSA-N 1 2 362.424 3.342 20 10 FGCDLO COc1cc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2O)cc(OC)c1OC ZINC000273430235 496803905 /nfs/dbraw/zinc/80/39/05/496803905.db2.gz VIONLZQSUXPATD-NSHDSACASA-N 1 2 362.382 3.177 20 10 FGCDLO Oc1ccccc1C[N@@H+](Cc1nncn1-c1ccccc1)C[C@@H]1CCCO1 ZINC000277741984 496871067 /nfs/dbraw/zinc/87/10/67/496871067.db2.gz OXQWFIFOURPCDN-IBGZPJMESA-N 1 2 364.449 3.154 20 10 FGCDLO Oc1ccccc1C[N@H+](Cc1nncn1-c1ccccc1)C[C@@H]1CCCO1 ZINC000277741984 496871071 /nfs/dbraw/zinc/87/10/71/496871071.db2.gz OXQWFIFOURPCDN-IBGZPJMESA-N 1 2 364.449 3.154 20 10 FGCDLO COc1cc(Cl)cc(C[N@@H+]2CCSC[C@H]2c2cnn(C)c2)c1O ZINC000191746288 496875539 /nfs/dbraw/zinc/87/55/39/496875539.db2.gz RUXFRGJPRKTREY-AWEZNQCLSA-N 1 2 353.875 3.078 20 10 FGCDLO COc1cc(Cl)cc(C[N@H+]2CCSC[C@H]2c2cnn(C)c2)c1O ZINC000191746288 496875547 /nfs/dbraw/zinc/87/55/47/496875547.db2.gz RUXFRGJPRKTREY-AWEZNQCLSA-N 1 2 353.875 3.078 20 10 FGCDLO COc1c(O)c(C[N@@H+]2CCO[C@H](c3cccc(F)c3)C2)ccc1[N+](=O)[O-] ZINC000278166145 497025888 /nfs/dbraw/zinc/02/58/88/497025888.db2.gz FGNUTHXILIFFNC-INIZCTEOSA-N 1 2 362.357 3.022 20 10 FGCDLO COc1c(O)c(C[N@H+]2CCO[C@H](c3cccc(F)c3)C2)ccc1[N+](=O)[O-] ZINC000278166145 497025893 /nfs/dbraw/zinc/02/58/93/497025893.db2.gz FGNUTHXILIFFNC-INIZCTEOSA-N 1 2 362.357 3.022 20 10 FGCDLO OC1CCN(c2ccc(CNc3cc[nH+]c4ccncc34)cc2F)CC1 ZINC000267267293 497512143 /nfs/dbraw/zinc/51/21/43/497512143.db2.gz YQILZCLGNPIOMD-UHFFFAOYSA-N 1 2 352.413 3.342 20 10 FGCDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCOc3cc(N(C)C)ccc31)C2 ZINC000364772226 498135395 /nfs/dbraw/zinc/13/53/95/498135395.db2.gz RRWRRISSVPTGPD-CQSZACIVSA-N 1 2 368.481 3.130 20 10 FGCDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCOc3cc(N(C)C)ccc31)CC2 ZINC000364772226 498135399 /nfs/dbraw/zinc/13/53/99/498135399.db2.gz RRWRRISSVPTGPD-CQSZACIVSA-N 1 2 368.481 3.130 20 10 FGCDLO COCCn1cc2c(n1)[C@H]([NH2+][C@H](C)c1ccc(F)c(F)c1O)CCC2 ZINC000364784916 498141315 /nfs/dbraw/zinc/14/13/15/498141315.db2.gz JGXTUSBPISMATI-IAQYHMDHSA-N 1 2 351.397 3.242 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)[C@H]3COc4ccccc43)CC2)cc1 ZINC000365282163 498387123 /nfs/dbraw/zinc/38/71/23/498387123.db2.gz KKMAXNARDZINOP-FQEVSTJZSA-N 1 2 366.461 3.299 20 10 FGCDLO C[C@@H](Nc1cc(N2CCCC[C@@H]2CO)nc[nH+]1)c1ccc(N(C)C)cc1 ZINC000302831376 498594063 /nfs/dbraw/zinc/59/40/63/498594063.db2.gz LCNUAKCMAVGPHD-CRAIPNDOSA-N 1 2 355.486 3.067 20 10 FGCDLO C[C@@H](Nc1cc(N2CCCC[C@@H]2CO)[nH+]cn1)c1ccc(N(C)C)cc1 ZINC000302831376 498594067 /nfs/dbraw/zinc/59/40/67/498594067.db2.gz LCNUAKCMAVGPHD-CRAIPNDOSA-N 1 2 355.486 3.067 20 10 FGCDLO CN(C)c1ccc(CN(Cc2ccco2)C(=O)CCc2[nH]cc[nH+]2)cc1 ZINC000287383439 498737751 /nfs/dbraw/zinc/73/77/51/498737751.db2.gz BJBIPOBZFFXYFF-UHFFFAOYSA-N 1 2 352.438 3.230 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)c3cccc(C)c3O)CC2)cc1 ZINC000363632207 498915609 /nfs/dbraw/zinc/91/56/09/498915609.db2.gz ZGCQKJIVDBWERM-UHFFFAOYSA-N 1 2 354.450 3.450 20 10 FGCDLO CCSCCCNC(=O)N(C)C1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000367109384 499150222 /nfs/dbraw/zinc/15/02/22/499150222.db2.gz XIHQEVBRQPCDTQ-UHFFFAOYSA-N 1 2 365.543 3.449 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)c3cnn(CC(C)C)c3)CC2)cc1 ZINC000368436630 499295723 /nfs/dbraw/zinc/29/57/23/499295723.db2.gz ZATBJGNEVFJAHW-UHFFFAOYSA-N 1 2 370.497 3.289 20 10 FGCDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)NCc1c(O)ccc3c1CCCC3)CCC2 ZINC000372244093 499412244 /nfs/dbraw/zinc/41/22/44/499412244.db2.gz UPBYSTZFZRCFOR-MRXNPFEDSA-N 1 2 368.481 3.153 20 10 FGCDLO Cn1cc([C@H]2[C@@H](C[NH2+]Cc3c(O)ccc(Cl)c3F)CCCN2C)cn1 ZINC000372976219 499445602 /nfs/dbraw/zinc/44/56/02/499445602.db2.gz IZDWBVAWKJFYSX-KZULUSFZSA-N 1 2 366.868 3.091 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)N[C@@H]3CSC[C@@H]3C)CC2)cc1 ZINC000377194646 499669634 /nfs/dbraw/zinc/66/96/34/499669634.db2.gz FNYBUODDJYBJPI-KBXCAEBGSA-N 1 2 363.527 3.057 20 10 FGCDLO Cc1c2ccccc2n(C)c1CNC(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000411490251 499747256 /nfs/dbraw/zinc/74/72/56/499747256.db2.gz NXCNEPVVYRIZJJ-UHFFFAOYSA-N 1 2 364.449 3.062 20 10 FGCDLO C[C@H](O)CNc1cc(N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)nc[nH+]1 ZINC000413075057 499910613 /nfs/dbraw/zinc/91/06/13/499910613.db2.gz KCWGPPJYCCMRQX-ZDUSSCGKSA-N 1 2 367.428 3.183 20 10 FGCDLO C[C@H](O)CNc1cc(N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)[nH+]cn1 ZINC000413075057 499910614 /nfs/dbraw/zinc/91/06/14/499910614.db2.gz KCWGPPJYCCMRQX-ZDUSSCGKSA-N 1 2 367.428 3.183 20 10 FGCDLO CCc1nn(C)c(Cl)c1C[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000091923097 700428460 /nfs/dbraw/zinc/42/84/60/700428460.db2.gz NFXCRFOPMIPGHW-UHFFFAOYSA-N 1 2 366.868 3.106 20 10 FGCDLO Cc1ccc(NC(=O)NCCCSc2nccs2)c(N(C)C)[nH+]1 ZINC000162610342 705299688 /nfs/dbraw/zinc/29/96/88/705299688.db2.gz YYMATXFLQFJOMF-UHFFFAOYSA-N 1 2 351.501 3.216 20 10 FGCDLO O=C1/C(=C\c2cc(-n3cc[nH+]c3)cs2)SC(=S)N1Cc1ccon1 ZINC000783693784 724779253 /nfs/dbraw/zinc/77/92/53/724779253.db2.gz SZBHXSVIHFHZPG-AWNIVKPZSA-N 1 2 374.472 3.323 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCCC[C@H]2CN2CCCC2=O)c1O ZINC000750045982 722752778 /nfs/dbraw/zinc/75/27/78/722752778.db2.gz ZECLKEYUZQVRKR-INIZCTEOSA-N 1 2 364.873 3.225 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCCC[C@H]2CN2CCCC2=O)c1O ZINC000750045982 722752781 /nfs/dbraw/zinc/75/27/81/722752781.db2.gz ZECLKEYUZQVRKR-INIZCTEOSA-N 1 2 364.873 3.225 20 10 FGCDLO COC[C@@H](C[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1O)OC ZINC000757639164 722977803 /nfs/dbraw/zinc/97/78/03/722977803.db2.gz NQWAIPQYIGATSN-WCBMZHEXSA-N 1 2 352.656 3.120 20 10 FGCDLO C[C@@H]([NH2+][C@H](C)c1cc(Br)c(F)cc1O)c1nnnn1C1CC1 ZINC000790754668 723174295 /nfs/dbraw/zinc/17/42/95/723174295.db2.gz JGCSBHGWZBIMTD-HTQZYQBOSA-N 1 2 370.226 3.027 20 10 FGCDLO Cc1cc(Br)c(O)c(C[N@@H+]2C[C@@H](C)O[C@@]3(CCCOC3)C2)c1 ZINC000796032109 723618224 /nfs/dbraw/zinc/61/82/24/723618224.db2.gz NWCBSXYLYMOXSY-DYVFJYSZSA-N 1 2 370.287 3.233 20 10 FGCDLO CC[C@H]1C[N@H+](Cc2cccc(Br)c2O)[C@@H](CC)CN1C(C)=O ZINC000769499205 723687529 /nfs/dbraw/zinc/68/75/29/723687529.db2.gz OSKRZCMINRZAII-GJZGRUSLSA-N 1 2 369.303 3.376 20 10 FGCDLO CC[C@H]1C[N@@H+](Cc2cccc(Br)c2O)[C@@H](CC)CN1C(C)=O ZINC000769499205 723687531 /nfs/dbraw/zinc/68/75/31/723687531.db2.gz OSKRZCMINRZAII-GJZGRUSLSA-N 1 2 369.303 3.376 20 10 FGCDLO CCc1nnc([C@@H](C)[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2Cl)[nH]1 ZINC000773136123 723777462 /nfs/dbraw/zinc/77/74/62/723777462.db2.gz FSMNAVRPNNIUDN-CHWSQXEVSA-N 1 2 363.893 3.269 20 10 FGCDLO COc1cccc(C[C@@H](C)[NH2+]Cc2cccc(Br)c2O)n1 ZINC000775145783 723963690 /nfs/dbraw/zinc/96/36/90/723963690.db2.gz LDVOFZHHXQJBAD-LLVKDONJSA-N 1 2 351.244 3.279 20 10 FGCDLO CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1cccc(Cl)c1[O-] ZINC000806137099 725117553 /nfs/dbraw/zinc/11/75/53/725117553.db2.gz KEWHBEPPMWHAOW-IRXDYDNUSA-N 1 2 367.921 3.029 20 10 FGCDLO CC[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1cccc(Cl)c1[O-] ZINC000806137099 725117554 /nfs/dbraw/zinc/11/75/54/725117554.db2.gz KEWHBEPPMWHAOW-IRXDYDNUSA-N 1 2 367.921 3.029 20 10 FGCDLO Oc1ccc(Cl)c(F)c1C[NH2+]Cc1ccncc1OC[C@@H]1CCOC1 ZINC000808437014 725201072 /nfs/dbraw/zinc/20/10/72/725201072.db2.gz VWVPMLYDJRSOAO-GFCCVEGCSA-N 1 2 366.820 3.285 20 10 FGCDLO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000809697115 725259799 /nfs/dbraw/zinc/25/97/99/725259799.db2.gz WMSGHXRQPVDHEY-CYBMUJFWSA-N 1 2 355.715 3.112 20 10 FGCDLO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000809697115 725259801 /nfs/dbraw/zinc/25/98/01/725259801.db2.gz WMSGHXRQPVDHEY-CYBMUJFWSA-N 1 2 355.715 3.112 20 10 FGCDLO O=C1NCCC[N@@H+](Cc2c(O)ccc(Cl)c2F)[C@@H]1Cc1ccccc1 ZINC000816641353 727183410 /nfs/dbraw/zinc/18/34/10/727183410.db2.gz OXZFMWLSZVZVOU-MRXNPFEDSA-N 1 2 362.832 3.118 20 10 FGCDLO O=C1NCCC[N@H+](Cc2c(O)ccc(Cl)c2F)[C@@H]1Cc1ccccc1 ZINC000816641353 727183411 /nfs/dbraw/zinc/18/34/11/727183411.db2.gz OXZFMWLSZVZVOU-MRXNPFEDSA-N 1 2 362.832 3.118 20 10 FGCDLO CCCN1C[C@H](C[NH2+][C@@H](C)c2cc(Br)c(F)cc2O)CC1=O ZINC000817590018 727268944 /nfs/dbraw/zinc/26/89/44/727268944.db2.gz SFNWMSKQWYGUSX-QWRGUYRKSA-N 1 2 373.266 3.203 20 10 FGCDLO OC[C@@]1(F)C[N@H+](Cc2c(O)ccc(Cl)c2F)C[C@@H]1c1ccccc1 ZINC000824637581 729352245 /nfs/dbraw/zinc/35/22/45/729352245.db2.gz YORGFURTOAUART-KDOFPFPSSA-N 1 2 353.796 3.485 20 10 FGCDLO OC[C@@]1(F)C[N@@H+](Cc2c(O)ccc(Cl)c2F)C[C@@H]1c1ccccc1 ZINC000824637581 729352247 /nfs/dbraw/zinc/35/22/47/729352247.db2.gz YORGFURTOAUART-KDOFPFPSSA-N 1 2 353.796 3.485 20 10 FGCDLO C[N@@H+]1CC[C@@H](NC(=O)c2c(F)ccc(O)c2O)[C@H]1c1ccc(Cl)cc1 ZINC000827492109 729430941 /nfs/dbraw/zinc/43/09/41/729430941.db2.gz UWEUTTAUCPYXEX-CZUORRHYSA-N 1 2 364.804 3.066 20 10 FGCDLO C[N@H+]1CC[C@@H](NC(=O)c2c(F)ccc(O)c2O)[C@H]1c1ccc(Cl)cc1 ZINC000827492109 729430942 /nfs/dbraw/zinc/43/09/42/729430942.db2.gz UWEUTTAUCPYXEX-CZUORRHYSA-N 1 2 364.804 3.066 20 10 FGCDLO C[C@H](Cc1cnn(C)c1)[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000834896681 729844626 /nfs/dbraw/zinc/84/46/26/729844626.db2.gz MPNPBXFAENDYSZ-NXEZZACHSA-N 1 2 356.239 3.309 20 10 FGCDLO CN(C)c1ccc(/C=C/C[NH+]2CCN(C(=O)c3ccsc3)CC2)cc1 ZINC000835027754 729850848 /nfs/dbraw/zinc/85/08/48/729850848.db2.gz NYTCRVNUSMSXMF-ONEGZZNKSA-N 1 2 355.507 3.285 20 10 FGCDLO CC[C@@H]([NH2+]Cc1nnn(C(C)(C)C)n1)c1ccc(C(F)(F)F)cc1O ZINC000848561308 731181759 /nfs/dbraw/zinc/18/17/59/731181759.db2.gz VCEKUJCCJGIQQD-GFCCVEGCSA-N 1 2 357.380 3.393 20 10 FGCDLO COC(=O)c1cc2ccccc2c(C[N@H+](C)Cc2nnc(C)s2)c1O ZINC000853617575 731732448 /nfs/dbraw/zinc/73/24/48/731732448.db2.gz FXNMPECSMPBKKL-UHFFFAOYSA-N 1 2 357.435 3.124 20 10 FGCDLO COC(=O)c1cc2ccccc2c(C[N@@H+](C)Cc2nnc(C)s2)c1O ZINC000853617575 731732452 /nfs/dbraw/zinc/73/24/52/731732452.db2.gz FXNMPECSMPBKKL-UHFFFAOYSA-N 1 2 357.435 3.124 20 10 FGCDLO CN(C)c1cc(F)c(C[N@@H+]2CCCN(CC(F)(F)F)CC2)cc1F ZINC000862217966 732787710 /nfs/dbraw/zinc/78/77/10/732787710.db2.gz ZLSZKSRHMCWARE-UHFFFAOYSA-N 1 2 351.363 3.101 20 10 FGCDLO CN(C)c1cc(F)c(C[N@H+]2CCCN(CC(F)(F)F)CC2)cc1F ZINC000862217966 732787713 /nfs/dbraw/zinc/78/77/13/732787713.db2.gz ZLSZKSRHMCWARE-UHFFFAOYSA-N 1 2 351.363 3.101 20 10 FGCDLO CN(C)C(=O)[C@H]1CCC[C@@H]([NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000883002776 737510706 /nfs/dbraw/zinc/51/07/06/737510706.db2.gz OOGGMCPUZBYDEL-GXFFZTMASA-N 1 2 373.266 3.030 20 10 FGCDLO C[C@H](CO[C@@H]1CCOC1)[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000883034097 737514355 /nfs/dbraw/zinc/51/43/55/737514355.db2.gz LSKSKVUHRWLCQB-BXKDBHETSA-N 1 2 364.667 3.092 20 10 FGCDLO C[C@@H]([NH2+]CCOC1CCOCC1)c1cc(Br)cc(F)c1O ZINC000927080929 759887571 /nfs/dbraw/zinc/88/75/71/759887571.db2.gz XQTAQABGJCEGJK-SNVBAGLBSA-N 1 2 362.239 3.140 20 10 FGCDLO COCc1nc(C)cc(N(C)C2CC[NH+](c3ccc(OC)cc3)CC2)n1 ZINC000075048241 494679804 /nfs/dbraw/zinc/67/98/04/494679804.db2.gz SNXJLKUGDQNBAR-UHFFFAOYSA-N 1 2 356.470 3.045 20 10 FGCDLO Fc1cc(CNc2cc(N3CCCCC3)nc[nH+]2)ccc1N1CCOCC1 ZINC000110242968 494960643 /nfs/dbraw/zinc/96/06/43/494960643.db2.gz HYUQWZXMNIBKJP-UHFFFAOYSA-N 1 2 371.460 3.055 20 10 FGCDLO Fc1cc(CNc2cc(N3CCCCC3)[nH+]cn2)ccc1N1CCOCC1 ZINC000110242968 494960646 /nfs/dbraw/zinc/96/06/46/494960646.db2.gz HYUQWZXMNIBKJP-UHFFFAOYSA-N 1 2 371.460 3.055 20 10 FGCDLO COc1cccc(CNC(=O)Nc2cccc(-c3[nH+]ccn3C)c2)c1O ZINC000150917528 495680934 /nfs/dbraw/zinc/68/09/34/495680934.db2.gz PGBJIBBHGOTRGW-UHFFFAOYSA-N 1 2 352.394 3.123 20 10 FGCDLO C[C@@H]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000177769049 496189065 /nfs/dbraw/zinc/18/90/65/496189065.db2.gz GGHVZWVOTVAEGS-XLIONFOSSA-N 1 2 367.497 3.276 20 10 FGCDLO C[C@@H]([NH2+]CCCc1nnc2n1CCCCC2)c1ccc(F)c(F)c1O ZINC000187693574 496537641 /nfs/dbraw/zinc/53/76/41/496537641.db2.gz QVQTVIVSDXFNFD-GFCCVEGCSA-N 1 2 350.413 3.272 20 10 FGCDLO C[C@@H]([NH2+][C@H](CN1CCOCC1)c1ccccc1)c1cc([N+](=O)[O-])ccc1O ZINC000273387164 496791266 /nfs/dbraw/zinc/79/12/66/496791266.db2.gz JWPMHTVQOLFNIA-DNVCBOLYSA-N 1 2 371.437 3.025 20 10 FGCDLO Oc1c(Br)cccc1C[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1 ZINC000289512748 498175217 /nfs/dbraw/zinc/17/52/17/498175217.db2.gz DGJIJFIRRNTBHD-ONGXEEELSA-N 1 2 354.166 3.354 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c1O ZINC000286711064 498483838 /nfs/dbraw/zinc/48/38/38/498483838.db2.gz WTAOSJYHLHFTBU-SMDDNHRTSA-N 1 2 365.779 3.241 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c1O ZINC000286711064 498483842 /nfs/dbraw/zinc/48/38/42/498483842.db2.gz WTAOSJYHLHFTBU-SMDDNHRTSA-N 1 2 365.779 3.241 20 10 FGCDLO CCN(CC)c1ccc(CNc2cc(N3CCSCC3)nc[nH+]2)cc1 ZINC000302801818 498581198 /nfs/dbraw/zinc/58/11/98/498581198.db2.gz UHMDWFHZOVRWAH-UHFFFAOYSA-N 1 2 357.527 3.488 20 10 FGCDLO CCN(CC)c1ccc(CNc2cc(N3CCSCC3)[nH+]cn2)cc1 ZINC000302801818 498581202 /nfs/dbraw/zinc/58/12/02/498581202.db2.gz UHMDWFHZOVRWAH-UHFFFAOYSA-N 1 2 357.527 3.488 20 10 FGCDLO CC[C@@H]([NH2+]CC1(S(C)(=O)=O)CC1)c1cc(Cl)cc(Cl)c1O ZINC000287115099 498633804 /nfs/dbraw/zinc/63/38/04/498633804.db2.gz QSPRGVOXUPIBAZ-GFCCVEGCSA-N 1 2 352.283 3.317 20 10 FGCDLO C[C@H]([NH2+]Cc1ccncc1OC[C@H]1CCOC1)c1ccc(F)c(F)c1O ZINC000287408578 498745275 /nfs/dbraw/zinc/74/52/75/498745275.db2.gz RHZXJWTVLCPFBE-STQMWFEESA-N 1 2 364.392 3.332 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)c3n[nH]c4c3CCCC4)CC2)cc1 ZINC000363333826 498767143 /nfs/dbraw/zinc/76/71/43/498767143.db2.gz OZFXBXQTIHLSHO-UHFFFAOYSA-N 1 2 368.481 3.038 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)c3ccc(OC)cc3O)CC2)cc1 ZINC000363448901 498827055 /nfs/dbraw/zinc/82/70/55/498827055.db2.gz HUPSTOOPBZOQLR-UHFFFAOYSA-N 1 2 370.449 3.150 20 10 FGCDLO CC[C@H]([NH2+]C1CCN(C(=O)CCOC)CC1)c1cccc(Cl)c1O ZINC000287845819 498881551 /nfs/dbraw/zinc/88/15/51/498881551.db2.gz WLZHHDZVZDNTSS-INIZCTEOSA-N 1 2 354.878 3.114 20 10 FGCDLO CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000283699814 498961563 /nfs/dbraw/zinc/96/15/63/498961563.db2.gz VDEHGHSRLIVYCF-UHFFFAOYSA-N 1 2 355.438 3.171 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)N(C)CC(F)(F)F)CC2)cc1 ZINC000367136068 499152964 /nfs/dbraw/zinc/15/29/64/499152964.db2.gz TXSXOGOESYJFOY-UHFFFAOYSA-N 1 2 359.392 3.210 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)CCc3ccncc3)CC2)cc1 ZINC000369011768 499357049 /nfs/dbraw/zinc/35/70/49/499357049.db2.gz HMCVSQHVJIOVCI-UHFFFAOYSA-N 1 2 353.466 3.150 20 10 FGCDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCc1ccc3c(c1)CCCN3C)C2 ZINC000372457065 499437376 /nfs/dbraw/zinc/43/73/76/499437376.db2.gz XNZSJDDCNWBXLE-KRWDZBQOSA-N 1 2 366.509 3.337 20 10 FGCDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCc1ccc3c(c1)CCCN3C)CC2 ZINC000372457065 499437377 /nfs/dbraw/zinc/43/73/77/499437377.db2.gz XNZSJDDCNWBXLE-KRWDZBQOSA-N 1 2 366.509 3.337 20 10 FGCDLO Cc1[nH+]c(C[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])c2n1CCCC2 ZINC000378395272 499511791 /nfs/dbraw/zinc/51/17/91/499511791.db2.gz LUDUIURKHLFHDE-UHFFFAOYSA-N 1 2 350.806 3.085 20 10 FGCDLO Cn1c(Cl)cnc1CN1CCC[N@H+](Cc2cccc(Cl)c2O)CC1 ZINC000378441492 499517012 /nfs/dbraw/zinc/51/70/12/499517012.db2.gz GVNUFRLPRLGZPI-UHFFFAOYSA-N 1 2 369.296 3.140 20 10 FGCDLO Cn1c(Cl)cnc1CN1CCC[N@@H+](Cc2cccc(Cl)c2O)CC1 ZINC000378441492 499517014 /nfs/dbraw/zinc/51/70/14/499517014.db2.gz GVNUFRLPRLGZPI-UHFFFAOYSA-N 1 2 369.296 3.140 20 10 FGCDLO CCc1ccnc(C(=O)N(C)C2CC[NH+](c3ccc(OC)cc3)CC2)c1 ZINC000376829111 499638582 /nfs/dbraw/zinc/63/85/82/499638582.db2.gz RVKZWMPLFDZHOD-UHFFFAOYSA-N 1 2 353.466 3.394 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)NCCSC(C)C)CC2)cc1 ZINC000377004201 499653484 /nfs/dbraw/zinc/65/34/84/499653484.db2.gz ZQKPRAYWEMJOJN-UHFFFAOYSA-N 1 2 365.543 3.447 20 10 FGCDLO CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCCn1cc[nH+]c1 ZINC000121872889 700681643 /nfs/dbraw/zinc/68/16/43/700681643.db2.gz BJSKDIZDCGUSRO-UHFFFAOYSA-N 1 2 356.451 3.330 20 10 FGCDLO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1cc(Cl)cc(C(C)=O)c1O ZINC000177167832 705609963 /nfs/dbraw/zinc/60/99/63/705609963.db2.gz KHMLFQQOASNMKE-MRXNPFEDSA-N 1 2 352.862 3.081 20 10 FGCDLO CCN(CC)C(=O)[C@H]1CCC[N@H+]1Cc1cc(Cl)cc(C(C)=O)c1O ZINC000177167832 705609966 /nfs/dbraw/zinc/60/99/66/705609966.db2.gz KHMLFQQOASNMKE-MRXNPFEDSA-N 1 2 352.862 3.081 20 10 FGCDLO CC(=O)NCC[N@H+](Cc1ccsc1)Cc1cc(Cl)cc(F)c1O ZINC000802653356 724397888 /nfs/dbraw/zinc/39/78/88/724397888.db2.gz SFBCQYRUIDKFCI-UHFFFAOYSA-N 1 2 356.850 3.385 20 10 FGCDLO CC(=O)NCC[N@@H+](Cc1ccsc1)Cc1cc(Cl)cc(F)c1O ZINC000802653356 724397891 /nfs/dbraw/zinc/39/78/91/724397891.db2.gz SFBCQYRUIDKFCI-UHFFFAOYSA-N 1 2 356.850 3.385 20 10 FGCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCCN(C(=O)C(C)C)CC2)c1 ZINC000781902277 724609814 /nfs/dbraw/zinc/60/98/14/724609814.db2.gz PTJILJHVRALOBZ-UHFFFAOYSA-N 1 2 369.303 3.153 20 10 FGCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCCN(C(=O)C(C)C)CC2)c1 ZINC000781902277 724609819 /nfs/dbraw/zinc/60/98/19/724609819.db2.gz PTJILJHVRALOBZ-UHFFFAOYSA-N 1 2 369.303 3.153 20 10 FGCDLO Cc1cc(C(=O)C[N@@H+]2CC[C@H](O)C2)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000733998521 722503232 /nfs/dbraw/zinc/50/32/32/722503232.db2.gz WFHMPHUIWGYERP-AWEZNQCLSA-N 1 2 350.821 3.136 20 10 FGCDLO Cc1cc(C(=O)C[N@H+]2CC[C@H](O)C2)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000733998521 722503233 /nfs/dbraw/zinc/50/32/33/722503233.db2.gz WFHMPHUIWGYERP-AWEZNQCLSA-N 1 2 350.821 3.136 20 10 FGCDLO C[C@@H]([NH2+]CCOC[C@@H]1CCCO1)c1cc(Br)cc(F)c1O ZINC000756582896 722967229 /nfs/dbraw/zinc/96/72/29/722967229.db2.gz KDIGWRUDFKSYTE-PWSUYJOCSA-N 1 2 362.239 3.140 20 10 FGCDLO C[C@@H]([NH2+]CCCNc1ncccn1)c1cc(Br)cc(F)c1O ZINC000756642669 722968124 /nfs/dbraw/zinc/96/81/24/722968124.db2.gz QBSRGTUDQIJPHA-SNVBAGLBSA-N 1 2 369.238 3.237 20 10 FGCDLO C[C@H]([NH2+][C@H](CO)CC(F)(F)F)c1cc(Br)cc(F)c1O ZINC000756775543 722969915 /nfs/dbraw/zinc/96/99/15/722969915.db2.gz ITGTYGXYQSUPCW-XPUUQOCRSA-N 1 2 360.145 3.258 20 10 FGCDLO C[C@@H]([NH2+]C[C@](C)(O)C(F)(F)F)c1cc(Br)cc(F)c1O ZINC000756785081 722970047 /nfs/dbraw/zinc/97/00/47/722970047.db2.gz RXDDMNIZQAQGGG-KBUNVGBDSA-N 1 2 360.145 3.258 20 10 FGCDLO COc1cc(Cl)cc(CN2CC[NH+](Cc3ccsc3)CC2)c1O ZINC000761184129 723130451 /nfs/dbraw/zinc/13/04/51/723130451.db2.gz RDGFZPAZZCEYSL-UHFFFAOYSA-N 1 2 352.887 3.434 20 10 FGCDLO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C(F)(F)C(F)F ZINC000761982544 723203642 /nfs/dbraw/zinc/20/36/42/723203642.db2.gz MYAQJSQTYQRESZ-LLVKDONJSA-N 1 2 368.758 3.027 20 10 FGCDLO O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C(F)(F)C(F)F ZINC000761982544 723203644 /nfs/dbraw/zinc/20/36/44/723203644.db2.gz MYAQJSQTYQRESZ-LLVKDONJSA-N 1 2 368.758 3.027 20 10 FGCDLO O=C1C[C@H](C[NH2+]Cc2cc(Cl)cc(F)c2O)CN1Cc1ccccc1 ZINC000776252964 724123899 /nfs/dbraw/zinc/12/38/99/724123899.db2.gz GWYCLMCRTUIGMP-CQSZACIVSA-N 1 2 362.832 3.323 20 10 FGCDLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1cc(C)cc(Br)c1O ZINC000786580079 724989802 /nfs/dbraw/zinc/98/98/02/724989802.db2.gz XKIYUGJCAYNHKR-KYOSRNDESA-N 1 2 368.271 3.237 20 10 FGCDLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1cc(C)cc(Br)c1O ZINC000786580079 724989804 /nfs/dbraw/zinc/98/98/04/724989804.db2.gz XKIYUGJCAYNHKR-KYOSRNDESA-N 1 2 368.271 3.237 20 10 FGCDLO C[C@@H]([NH2+]C[C@@H](CO)c1cccnc1)c1cc(Br)c(F)cc1O ZINC000806178382 725119792 /nfs/dbraw/zinc/11/97/92/725119792.db2.gz FZFPXOHLGMYRTL-PWSUYJOCSA-N 1 2 369.234 3.116 20 10 FGCDLO Cn1cnnc1C[N@H+](C)Cc1c(O)ccc2cc(Br)ccc21 ZINC000808214956 725188477 /nfs/dbraw/zinc/18/84/77/725188477.db2.gz BQTMLBYGUDSPSE-UHFFFAOYSA-N 1 2 361.243 3.068 20 10 FGCDLO Cn1cnnc1C[N@@H+](C)Cc1c(O)ccc2cc(Br)ccc21 ZINC000808214956 725188478 /nfs/dbraw/zinc/18/84/78/725188478.db2.gz BQTMLBYGUDSPSE-UHFFFAOYSA-N 1 2 361.243 3.068 20 10 FGCDLO Cc1ccccc1-n1cc(C[NH2+]Cc2cccc(Br)c2O)nn1 ZINC000809654911 725256235 /nfs/dbraw/zinc/25/62/35/725256235.db2.gz UCJYUYOYXQUWIX-UHFFFAOYSA-N 1 2 373.254 3.334 20 10 FGCDLO COc1ccc(C(=O)N2CC[NH+](Cc3cc(Cl)ccc3O)CC2)cc1 ZINC000809733942 725263599 /nfs/dbraw/zinc/26/35/99/725263599.db2.gz NSUNBQGHWWAMCC-UHFFFAOYSA-N 1 2 360.841 3.012 20 10 FGCDLO COCc1nc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)cs1 ZINC000810253261 725300011 /nfs/dbraw/zinc/30/00/11/725300011.db2.gz PWPPWGZWHWYQCC-CYBMUJFWSA-N 1 2 365.474 3.116 20 10 FGCDLO CC[N@H+](Cc1cc(Br)cc(Br)c1O)[C@H](C)CO ZINC000814168993 726943966 /nfs/dbraw/zinc/94/39/66/726943966.db2.gz AKCPPJDSIOWVHV-MRVPVSSYSA-N 1 2 367.081 3.120 20 10 FGCDLO CC[N@@H+](Cc1cc(Br)cc(Br)c1O)[C@H](C)CO ZINC000814168993 726943969 /nfs/dbraw/zinc/94/39/69/726943969.db2.gz AKCPPJDSIOWVHV-MRVPVSSYSA-N 1 2 367.081 3.120 20 10 FGCDLO COc1cc(Br)cc(C[N@@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)c1O ZINC000816666922 727187701 /nfs/dbraw/zinc/18/77/01/727187701.db2.gz YIIHCYGVLOCXMN-IAGOWNOFSA-N 1 2 368.271 3.307 20 10 FGCDLO COc1cc(Br)cc(C[N@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)c1O ZINC000816666922 727187703 /nfs/dbraw/zinc/18/77/03/727187703.db2.gz YIIHCYGVLOCXMN-IAGOWNOFSA-N 1 2 368.271 3.307 20 10 FGCDLO CCN(CC)c1ccc(C[N@@H+]2CCC[C@]3(CCS(=O)(=O)C3)C2)cc1F ZINC000824978008 729366570 /nfs/dbraw/zinc/36/65/70/729366570.db2.gz QECVRIYDCRJBTK-IBGZPJMESA-N 1 2 368.518 3.073 20 10 FGCDLO CCN(CC)c1ccc(C[N@H+]2CCC[C@]3(CCS(=O)(=O)C3)C2)cc1F ZINC000824978008 729366572 /nfs/dbraw/zinc/36/65/72/729366572.db2.gz QECVRIYDCRJBTK-IBGZPJMESA-N 1 2 368.518 3.073 20 10 FGCDLO COc1cc(Br)cc(C[N@@H+]2CCO[C@](C)(C3CC3)C2)c1O ZINC000826878025 729417680 /nfs/dbraw/zinc/41/76/80/729417680.db2.gz QQGXJNOILWGSMX-INIZCTEOSA-N 1 2 356.260 3.164 20 10 FGCDLO COc1cc(Br)cc(C[N@H+]2CCO[C@](C)(C3CC3)C2)c1O ZINC000826878025 729417682 /nfs/dbraw/zinc/41/76/82/729417682.db2.gz QQGXJNOILWGSMX-INIZCTEOSA-N 1 2 356.260 3.164 20 10 FGCDLO COc1cc(Br)cc(C[N@@H+]2C[C@H](C)OCC23CCC3)c1O ZINC000846067024 730925121 /nfs/dbraw/zinc/92/51/21/730925121.db2.gz LTDUNAVPWBRMBZ-NSHDSACASA-N 1 2 356.260 3.307 20 10 FGCDLO COc1cc(Br)cc(C[N@H+]2C[C@H](C)OCC23CCC3)c1O ZINC000846067024 730925124 /nfs/dbraw/zinc/92/51/24/730925124.db2.gz LTDUNAVPWBRMBZ-NSHDSACASA-N 1 2 356.260 3.307 20 10 FGCDLO O=C(CSc1ncc(Cl)s1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000849998386 731307585 /nfs/dbraw/zinc/30/75/85/731307585.db2.gz OGRSARNCGNAOOR-UHFFFAOYSA-N 1 2 367.927 3.233 20 10 FGCDLO O=C(CCSc1ncc(Cl)s1)N1CCN(c2cccc[nH+]2)CC1 ZINC000849999775 731308072 /nfs/dbraw/zinc/30/80/72/731308072.db2.gz XUSNIXJFAQMWFW-UHFFFAOYSA-N 1 2 368.915 3.023 20 10 FGCDLO C[C@@H]1C[C@]2(CCO1)C[N@@H+](Cc1cc(F)c(N(C)C)cc1F)C[C@H](C)O2 ZINC000862353719 732814246 /nfs/dbraw/zinc/81/42/46/732814246.db2.gz YAQRSNYMOQWTJV-BIENJYKASA-N 1 2 354.441 3.189 20 10 FGCDLO C[C@@H]1C[C@]2(CCO1)C[N@H+](Cc1cc(F)c(N(C)C)cc1F)C[C@H](C)O2 ZINC000862353719 732814252 /nfs/dbraw/zinc/81/42/52/732814252.db2.gz YAQRSNYMOQWTJV-BIENJYKASA-N 1 2 354.441 3.189 20 10 FGCDLO C[C@H]([NH2+]Cc1nc2c(c(=O)[nH]1)COCC2)c1cc(Cl)c(Cl)cc1O ZINC000866628506 733376430 /nfs/dbraw/zinc/37/64/30/733376430.db2.gz KOJVJXPFBTYZAH-QMMMGPOBSA-N 1 2 370.236 3.118 20 10 FGCDLO C[C@@H]([NH2+]Cc1nc2c(c(=O)[nH]1)COCC2)c1cc(Cl)c(Cl)cc1O ZINC000866628505 733376727 /nfs/dbraw/zinc/37/67/27/733376727.db2.gz KOJVJXPFBTYZAH-MRVPVSSYSA-N 1 2 370.236 3.118 20 10 FGCDLO O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)NCCCSc1nccs1 ZINC000874466404 735873054 /nfs/dbraw/zinc/87/30/54/735873054.db2.gz OCPFOPFVWJTVKB-JTQLQIEISA-N 1 2 364.418 3.132 20 10 FGCDLO CCN(C[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2O)C1)CC(F)(F)F ZINC000876781853 736143841 /nfs/dbraw/zinc/14/38/41/736143841.db2.gz OCSFHGKQTFJOTF-NSHDSACASA-N 1 2 352.347 3.377 20 10 FGCDLO CCN(C[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2O)C1)CC(F)(F)F ZINC000876781853 736143844 /nfs/dbraw/zinc/14/38/44/736143844.db2.gz OCSFHGKQTFJOTF-NSHDSACASA-N 1 2 352.347 3.377 20 10 FGCDLO Cc1ccc([C@@H]([NH2+]Cc2cc(F)cc(F)c2O)[C@H](C)S(C)(=O)=O)cc1 ZINC000894647930 742314139 /nfs/dbraw/zinc/31/41/39/742314139.db2.gz HESWCZXVWAOBEU-SJCJKPOMSA-N 1 2 369.433 3.243 20 10 FGCDLO OCCc1ccc(C[NH2+]Cc2cc(Br)cc(F)c2O)cc1 ZINC000898168535 742752422 /nfs/dbraw/zinc/75/24/22/742752422.db2.gz IMDFBEVTJZANFS-UHFFFAOYSA-N 1 2 354.219 3.118 20 10 FGCDLO O=[N+]([O-])c1cc2c(cc1C[NH2+]Cc1cccc(Cl)c1O)OCCO2 ZINC000898219973 742761001 /nfs/dbraw/zinc/76/10/01/742761001.db2.gz QUKXYCVCBJDXIG-UHFFFAOYSA-N 1 2 350.758 3.015 20 10 FGCDLO CC[C@@H]([NH2+]CC1(O)CCC2(CC1)OCCO2)c1cccc(Cl)c1O ZINC000903373479 743842060 /nfs/dbraw/zinc/84/20/60/743842060.db2.gz WJUJCODMOSOHRD-OAHLLOKOSA-N 1 2 355.862 3.135 20 10 FGCDLO C[C@H]([NH2+][C@@H]1CC[C@H]1O)c1cc(Br)cc(Br)c1O ZINC000818357575 727309084 /nfs/dbraw/zinc/30/90/84/727309084.db2.gz AQCBHMAYQXRJHV-MQOMDTIOSA-N 1 2 365.065 3.091 20 10 FGCDLO O=c1nc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)[nH]c2ccsc21 ZINC000070976334 494077158 /nfs/dbraw/zinc/07/71/58/494077158.db2.gz JRISNPJWKTUTOP-CQSZACIVSA-N 1 2 371.462 3.284 20 10 FGCDLO O=c1nc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)[nH]c2ccsc21 ZINC000070976334 494077162 /nfs/dbraw/zinc/07/71/62/494077162.db2.gz JRISNPJWKTUTOP-CQSZACIVSA-N 1 2 371.462 3.284 20 10 FGCDLO C[C@@H](Nc1cc(N2CCCCC2)nc[nH+]1)c1ccc(N2CCOCC2)cc1 ZINC000114709014 495412700 /nfs/dbraw/zinc/41/27/00/495412700.db2.gz YQOJUDRUCXAYHE-QGZVFWFLSA-N 1 2 367.497 3.477 20 10 FGCDLO C[C@@H](Nc1cc(N2CCCCC2)[nH+]cn1)c1ccc(N2CCOCC2)cc1 ZINC000114709014 495412705 /nfs/dbraw/zinc/41/27/05/495412705.db2.gz YQOJUDRUCXAYHE-QGZVFWFLSA-N 1 2 367.497 3.477 20 10 FGCDLO Oc1c(Cl)cccc1C[N@H+]1CCOC[C@H]1C[C@H](O)c1cccs1 ZINC000180705248 496111542 /nfs/dbraw/zinc/11/15/42/496111542.db2.gz WHKKUALNAYFSMQ-HIFRSBDPSA-N 1 2 353.871 3.432 20 10 FGCDLO Oc1c(Cl)cccc1C[N@@H+]1CCOC[C@H]1C[C@H](O)c1cccs1 ZINC000180705248 496111548 /nfs/dbraw/zinc/11/15/48/496111548.db2.gz WHKKUALNAYFSMQ-HIFRSBDPSA-N 1 2 353.871 3.432 20 10 FGCDLO CC(=O)c1cc(F)cc(C[NH+]2CCN([C@@H](C)c3nccs3)CC2)c1O ZINC000184634976 496474335 /nfs/dbraw/zinc/47/43/35/496474335.db2.gz QBTDEPFECJIRKS-LBPRGKRZSA-N 1 2 363.458 3.069 20 10 FGCDLO COc1c(O)c(C[N@@H+]2CCO[C@@H](c3ccccc3F)C2)ccc1[N+](=O)[O-] ZINC000278253188 497052450 /nfs/dbraw/zinc/05/24/50/497052450.db2.gz PIXRQUCZZYDPSH-MRXNPFEDSA-N 1 2 362.357 3.022 20 10 FGCDLO COc1c(O)c(C[N@H+]2CCO[C@@H](c3ccccc3F)C2)ccc1[N+](=O)[O-] ZINC000278253188 497052455 /nfs/dbraw/zinc/05/24/55/497052455.db2.gz PIXRQUCZZYDPSH-MRXNPFEDSA-N 1 2 362.357 3.022 20 10 FGCDLO COc1ccc(OC)c([C@H](O)C[NH2+][C@H](C)c2ccc(F)c(F)c2O)c1 ZINC000191194002 497740307 /nfs/dbraw/zinc/74/03/07/497740307.db2.gz YRPNXPVJIOQDRC-MEBBXXQBSA-N 1 2 353.365 3.072 20 10 FGCDLO Cc1cc(NCc2ccc(N3CCOCC3)cc2C(F)(F)F)nc[nH+]1 ZINC000301222871 498006322 /nfs/dbraw/zinc/00/63/22/498006322.db2.gz BQIOSXOLWOYFJW-UHFFFAOYSA-N 1 2 352.360 3.253 20 10 FGCDLO C[C@@H](c1nc(N)nc(Cl)n1)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000296460032 498051981 /nfs/dbraw/zinc/05/19/81/498051981.db2.gz JIFBQEHGHHVFQJ-ZDUSSCGKSA-N 1 2 360.893 3.291 20 10 FGCDLO C[C@@H](c1nc(N)nc(Cl)n1)[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000296460032 498051987 /nfs/dbraw/zinc/05/19/87/498051987.db2.gz JIFBQEHGHHVFQJ-ZDUSSCGKSA-N 1 2 360.893 3.291 20 10 FGCDLO CCOCc1nc([C@H](C)[NH2+][C@H](C)c2cc(Br)ccc2O)no1 ZINC000290051103 498407926 /nfs/dbraw/zinc/40/79/26/498407926.db2.gz FBMSIULVILMUGL-ZJUUUORDSA-N 1 2 370.247 3.486 20 10 FGCDLO Cc1c[nH+]c(N(C)Cc2ccccc2O)nc1N(C)Cc1ccccc1O ZINC000302637999 498522019 /nfs/dbraw/zinc/52/20/19/498522019.db2.gz KONPDNSPLDIIHV-UHFFFAOYSA-N 1 2 364.449 3.469 20 10 FGCDLO O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000363265593 498735452 /nfs/dbraw/zinc/73/54/52/498735452.db2.gz GIUXEMYSCXVHFL-IBGZPJMESA-N 1 2 364.493 3.215 20 10 FGCDLO CC[C@H]([NH2+][C@H]1CCN(C(=O)c2ccncc2)C1)c1cccc(Cl)c1O ZINC000367897046 499242864 /nfs/dbraw/zinc/24/28/64/499242864.db2.gz QOQCJQDHLJZAAX-YOEHRIQHSA-N 1 2 359.857 3.396 20 10 FGCDLO CCCn1cc(C(=O)N(C)C2CC[NH+](c3ccc(OC)cc3)CC2)cn1 ZINC000368432157 499295527 /nfs/dbraw/zinc/29/55/27/499295527.db2.gz IYOZBCQUVJMSAZ-UHFFFAOYSA-N 1 2 356.470 3.043 20 10 FGCDLO Oc1c(Cl)cc(Cl)cc1C[NH+]1CCC([C@@H](O)c2ncc[nH]2)CC1 ZINC000375694540 499545973 /nfs/dbraw/zinc/54/59/73/499545973.db2.gz VZUUWXYXTNYYEU-OAHLLOKOSA-N 1 2 356.253 3.368 20 10 FGCDLO O=C(NCc1c[nH+]c2n1CCCC2)NCc1cc(Cl)cc(Cl)c1O ZINC000376412558 499606951 /nfs/dbraw/zinc/60/69/51/499606951.db2.gz ICYCOQUYZGVULR-UHFFFAOYSA-N 1 2 369.252 3.231 20 10 FGCDLO COC[C@]1([NH2+]Cc2cc(Cl)cc(F)c2O)COc2ccccc2C1 ZINC000529667711 504756373 /nfs/dbraw/zinc/75/63/73/504756373.db2.gz CNRRRNLIWMDAPT-SFHVURJKSA-N 1 2 351.805 3.295 20 10 FGCDLO COc1cc(C)cc(C[NH+]2CCN(C(=O)c3ccc(C)s3)CC2)c1O ZINC000178863939 705679197 /nfs/dbraw/zinc/67/91/97/705679197.db2.gz KGXGHZDBZXJYEU-UHFFFAOYSA-N 1 2 360.479 3.037 20 10 FGCDLO CN(CC[NH2+]Cc1cccc(Br)c1O)C(=O)OC(C)(C)C ZINC000227760459 713573668 /nfs/dbraw/zinc/57/36/68/713573668.db2.gz CVVUFLBLCBLVMY-UHFFFAOYSA-N 1 2 359.264 3.111 20 10 FGCDLO C[C@@H]([NH2+][C@H]1CCCN(C)C1=O)c1cc(Br)cc(Cl)c1O ZINC000756639398 722968053 /nfs/dbraw/zinc/96/80/53/722968053.db2.gz YGSXZRPMDVJVMI-PELKAZGASA-N 1 2 361.667 3.080 20 10 FGCDLO Cc1cc(Br)c(O)c(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000781909804 724611409 /nfs/dbraw/zinc/61/14/09/724611409.db2.gz QUSXGYDDSZZBLL-CJNGLKHVSA-N 1 2 353.304 3.379 20 10 FGCDLO Cc1cc(Br)c(O)c(CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000781909804 724611411 /nfs/dbraw/zinc/61/14/11/724611411.db2.gz QUSXGYDDSZZBLL-CJNGLKHVSA-N 1 2 353.304 3.379 20 10 FGCDLO Cc1cc(Br)c([O-])c(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000781909804 724611413 /nfs/dbraw/zinc/61/14/13/724611413.db2.gz QUSXGYDDSZZBLL-CJNGLKHVSA-N 1 2 353.304 3.379 20 10 FGCDLO Cc1cc(Br)c([O-])c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000781909804 724611415 /nfs/dbraw/zinc/61/14/15/724611415.db2.gz QUSXGYDDSZZBLL-CJNGLKHVSA-N 1 2 353.304 3.379 20 10 FGCDLO Cc1cc(Br)c([O-])c(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000781909804 724611416 /nfs/dbraw/zinc/61/14/16/724611416.db2.gz QUSXGYDDSZZBLL-CJNGLKHVSA-N 1 2 353.304 3.379 20 10 FGCDLO Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000781909804 724611418 /nfs/dbraw/zinc/61/14/18/724611418.db2.gz QUSXGYDDSZZBLL-CJNGLKHVSA-N 1 2 353.304 3.379 20 10 FGCDLO C[C@@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1cc(Br)cc(F)c1O ZINC000756785087 722970080 /nfs/dbraw/zinc/97/00/80/722970080.db2.gz RXDDMNIZQAQGGG-KSBSHMNSSA-N 1 2 360.145 3.258 20 10 FGCDLO CCNC(=O)C(C)(C)C[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000756858234 722970880 /nfs/dbraw/zinc/97/08/80/722970880.db2.gz SHUINZCEUSGFLY-VIFPVBQESA-N 1 2 361.255 3.107 20 10 FGCDLO OCC[N@H+](Cc1cc(Br)ccc1O)Cc1cccnc1Cl ZINC000793364904 723430419 /nfs/dbraw/zinc/43/04/19/723430419.db2.gz VAPHBLBPZHRNKJ-UHFFFAOYSA-N 1 2 371.662 3.198 20 10 FGCDLO OCC[N@@H+](Cc1cc(Br)ccc1O)Cc1cccnc1Cl ZINC000793364904 723430425 /nfs/dbraw/zinc/43/04/25/723430425.db2.gz VAPHBLBPZHRNKJ-UHFFFAOYSA-N 1 2 371.662 3.198 20 10 FGCDLO CC(=O)N1CCC[C@H](C[NH2+][C@H](C)c2cc(Br)c(F)cc2O)C1 ZINC000794836053 723548511 /nfs/dbraw/zinc/54/85/11/723548511.db2.gz RKCPKUYWUOMNSD-ZYHUDNBSSA-N 1 2 373.266 3.203 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@]3(CCOC3)OC(C)(C)C2)c1O ZINC000796559843 723643789 /nfs/dbraw/zinc/64/37/89/723643789.db2.gz DFDAECZCUDXADD-SFHVURJKSA-N 1 2 353.846 3.018 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@]3(CCOC3)OC(C)(C)C2)c1O ZINC000796559843 723643790 /nfs/dbraw/zinc/64/37/90/723643790.db2.gz DFDAECZCUDXADD-SFHVURJKSA-N 1 2 353.846 3.018 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)c1O ZINC000796606037 723646220 /nfs/dbraw/zinc/64/62/20/723646220.db2.gz ATONETWDKREANJ-KZULUSFZSA-N 1 2 353.846 3.018 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)c1O ZINC000796606037 723646222 /nfs/dbraw/zinc/64/62/22/723646222.db2.gz ATONETWDKREANJ-KZULUSFZSA-N 1 2 353.846 3.018 20 10 FGCDLO C[N@H+](Cc1cc(Cl)cc(F)c1O)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789597363 725138071 /nfs/dbraw/zinc/13/80/71/725138071.db2.gz RPUKUUWXQCYWTR-KRWDZBQOSA-N 1 2 362.832 3.418 20 10 FGCDLO C[N@@H+](Cc1cc(Cl)cc(F)c1O)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789597363 725138072 /nfs/dbraw/zinc/13/80/72/725138072.db2.gz RPUKUUWXQCYWTR-KRWDZBQOSA-N 1 2 362.832 3.418 20 10 FGCDLO O=C1C[C@H]([NH2+]Cc2cc(Cl)cc(F)c2O)CN1c1ccccc1F ZINC000812782114 726811115 /nfs/dbraw/zinc/81/11/15/726811115.db2.gz MOPRJAYCMFLIMJ-LBPRGKRZSA-N 1 2 352.768 3.219 20 10 FGCDLO C[N@@H+]1CC[C@H](NC(=O)c2c(F)ccc(O)c2O)[C@H]1c1ccc(Cl)cc1 ZINC000827492177 729430949 /nfs/dbraw/zinc/43/09/49/729430949.db2.gz UWEUTTAUCPYXEX-XJKSGUPXSA-N 1 2 364.804 3.066 20 10 FGCDLO C[N@H+]1CC[C@H](NC(=O)c2c(F)ccc(O)c2O)[C@H]1c1ccc(Cl)cc1 ZINC000827492177 729430950 /nfs/dbraw/zinc/43/09/50/729430950.db2.gz UWEUTTAUCPYXEX-XJKSGUPXSA-N 1 2 364.804 3.066 20 10 FGCDLO COCC(COC)[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1O ZINC000834891632 729844128 /nfs/dbraw/zinc/84/41/28/729844128.db2.gz PRDWWIIJSBNFFE-QMMMGPOBSA-N 1 2 352.656 3.120 20 10 FGCDLO C[C@H]([NH2+][C@@H]1CCCC(F)(F)[C@H]1O)c1cc(Br)cc(F)c1O ZINC000840886948 730188391 /nfs/dbraw/zinc/18/83/91/730188391.db2.gz OVXCLFZGKUDWKR-CQOUMUIBSA-N 1 2 368.193 3.493 20 10 FGCDLO COc1ccc(N(C)CC[N@H+](C)Cc2nccn2CC(F)(F)F)cc1 ZINC000844401390 730713075 /nfs/dbraw/zinc/71/30/75/730713075.db2.gz NEKUTISKKYJQKN-UHFFFAOYSA-N 1 2 356.392 3.022 20 10 FGCDLO COc1ccc(N(C)CC[N@@H+](C)Cc2nccn2CC(F)(F)F)cc1 ZINC000844401390 730713077 /nfs/dbraw/zinc/71/30/77/730713077.db2.gz NEKUTISKKYJQKN-UHFFFAOYSA-N 1 2 356.392 3.022 20 10 FGCDLO CC[C@@H]([NH2+]Cc1nnn(C(C)(C)C)n1)c1cc(Br)ccc1O ZINC000848560848 731181919 /nfs/dbraw/zinc/18/19/19/731181919.db2.gz MDRSVRSYFPDFID-GFCCVEGCSA-N 1 2 368.279 3.137 20 10 FGCDLO CNC(=O)CC1(C[NH2+]Cc2cccc(Br)c2O)CCCCC1 ZINC000850399593 731352340 /nfs/dbraw/zinc/35/23/40/731352340.db2.gz NIVBHSMYFDIMKS-UHFFFAOYSA-N 1 2 369.303 3.331 20 10 FGCDLO Cc1nc(N[C@H](C)Cc2ccc(O)c(O)c2)c(Br)c(C)[nH+]1 ZINC000853472828 731708561 /nfs/dbraw/zinc/70/85/61/731708561.db2.gz DRKWPHPDYNRLAD-MRVPVSSYSA-N 1 2 352.232 3.310 20 10 FGCDLO Cc1cc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)c(C)n1-c1cccc(Cl)c1 ZINC000857887830 732166224 /nfs/dbraw/zinc/16/62/24/732166224.db2.gz PGVZYQPBIJFUBW-HNNXBMFYSA-N 1 2 354.841 3.299 20 10 FGCDLO C[C@H]([NH2+]CC[C@@H](O)COCc1ccccc1)c1cc(F)cc(F)c1O ZINC000858594839 732230005 /nfs/dbraw/zinc/23/00/05/732230005.db2.gz HRIATWXBNPMTGA-XJKSGUPXSA-N 1 2 351.393 3.289 20 10 FGCDLO CSCC[C@H]([NH2+]Cc1ccc(F)c(F)c1O)c1nnc2ccccn21 ZINC000876902170 736160625 /nfs/dbraw/zinc/16/06/25/736160625.db2.gz APRCKBFWFUJQQD-ZDUSSCGKSA-N 1 2 364.421 3.297 20 10 FGCDLO CC(=O)NC1CCC([N@H+](C)Cc2cc(Br)cc(F)c2O)CC1 ZINC000894445890 742284643 /nfs/dbraw/zinc/28/46/43/742284643.db2.gz QCAYMVDZIRMJAF-UHFFFAOYSA-N 1 2 373.266 3.173 20 10 FGCDLO CC(=O)NC1CCC([N@@H+](C)Cc2cc(Br)cc(F)c2O)CC1 ZINC000894445890 742284646 /nfs/dbraw/zinc/28/46/46/742284646.db2.gz QCAYMVDZIRMJAF-UHFFFAOYSA-N 1 2 373.266 3.173 20 10 FGCDLO Cc1cc(CC[NH2+][C@H](C)c2cc(Br)c(F)cc2O)nn1C ZINC000926912462 759846836 /nfs/dbraw/zinc/84/68/36/759846836.db2.gz XEELPUJMYLRLJN-SNVBAGLBSA-N 1 2 356.239 3.229 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)c1O ZINC000132019532 494801124 /nfs/dbraw/zinc/80/11/24/494801124.db2.gz REUDSIFJJZIJLF-CQSZACIVSA-N 1 2 367.873 3.266 20 10 FGCDLO COc1ccc(N2CCC[N@H+](Cc3nnc(C4CC4)n3C3CC3)CC2)cc1 ZINC000181128871 496280876 /nfs/dbraw/zinc/28/08/76/496280876.db2.gz ZNSMVZVYVQQETR-UHFFFAOYSA-N 1 2 367.497 3.211 20 10 FGCDLO COc1ccc(N2CCC[N@@H+](Cc3nnc(C4CC4)n3C3CC3)CC2)cc1 ZINC000181128871 496280886 /nfs/dbraw/zinc/28/08/86/496280886.db2.gz ZNSMVZVYVQQETR-UHFFFAOYSA-N 1 2 367.497 3.211 20 10 FGCDLO COC(=O)COc1cccc(C[NH2+][C@@H](C)c2ccc(F)c(F)c2O)c1 ZINC000187784605 496571397 /nfs/dbraw/zinc/57/13/97/496571397.db2.gz IBHDSXDGDPPMAC-NSHDSACASA-N 1 2 351.349 3.073 20 10 FGCDLO CC[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1O)c1nnc2n1CCCCC2 ZINC000273563006 496841981 /nfs/dbraw/zinc/84/19/81/496841981.db2.gz IRIQJXRBJZKQKP-WFASDCNBSA-N 1 2 359.430 3.420 20 10 FGCDLO C[C@H](c1cccc(NC(=O)N(C)Cc2ccccc2O)c1)[NH+]1CCOCC1 ZINC000264277487 496860758 /nfs/dbraw/zinc/86/07/58/496860758.db2.gz VYLNWAAACNKOIA-MRXNPFEDSA-N 1 2 369.465 3.449 20 10 FGCDLO COC(=O)c1nc([C@H]2CCC[N@@H+]2Cc2cc(F)ccc2O)sc1C ZINC000279705352 497515677 /nfs/dbraw/zinc/51/56/77/497515677.db2.gz RTDRJVVGAVPWTJ-CYBMUJFWSA-N 1 2 350.415 3.420 20 10 FGCDLO COC(=O)c1nc([C@H]2CCC[N@H+]2Cc2cc(F)ccc2O)sc1C ZINC000279705352 497515680 /nfs/dbraw/zinc/51/56/80/497515680.db2.gz RTDRJVVGAVPWTJ-CYBMUJFWSA-N 1 2 350.415 3.420 20 10 FGCDLO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000272149781 497548570 /nfs/dbraw/zinc/54/85/70/497548570.db2.gz CZZCIKSKCNLEKH-UHFFFAOYSA-N 1 2 363.465 3.384 20 10 FGCDLO CCOC(=O)c1ccc(NC2CC[NH+](c3ccc(OC)cc3)CC2)nc1 ZINC000301149320 497972148 /nfs/dbraw/zinc/97/21/48/497972148.db2.gz CIDFFRQNOOLOAI-UHFFFAOYSA-N 1 2 355.438 3.348 20 10 FGCDLO C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)c1ccc(F)c(F)c1[O-] ZINC000364790882 498144465 /nfs/dbraw/zinc/14/44/65/498144465.db2.gz NVGVMNVCCRUOAT-ZJNRKIDTSA-N 1 2 364.440 3.138 20 10 FGCDLO C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)c1ccc(F)c(F)c1[O-] ZINC000364790882 498144472 /nfs/dbraw/zinc/14/44/72/498144472.db2.gz NVGVMNVCCRUOAT-ZJNRKIDTSA-N 1 2 364.440 3.138 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)Cc3cccc(O)c3)CC2)cc1 ZINC000365045345 498270880 /nfs/dbraw/zinc/27/08/80/498270880.db2.gz UXFVJPWWOYNSFN-UHFFFAOYSA-N 1 2 354.450 3.071 20 10 FGCDLO CC[C@H]([NH2+][C@@H](C(N)=O)c1ccccn1)c1cc(Cl)cc(Cl)c1O ZINC000297407626 498438451 /nfs/dbraw/zinc/43/84/51/498438451.db2.gz SZDPRWHMVACEBW-GXTWGEPZSA-N 1 2 354.237 3.361 20 10 FGCDLO CCCCN(Cc1ccccc1O)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000282471884 498525202 /nfs/dbraw/zinc/52/52/02/498525202.db2.gz KSHVDCRCVKQFGR-UHFFFAOYSA-N 1 2 350.422 3.415 20 10 FGCDLO C[C@H](Nc1cc(N2CCCC[C@H]2CO)nc[nH+]1)c1ccc(N(C)C)cc1 ZINC000302831379 498593670 /nfs/dbraw/zinc/59/36/70/498593670.db2.gz LCNUAKCMAVGPHD-YJBOKZPZSA-N 1 2 355.486 3.067 20 10 FGCDLO C[C@H](Nc1cc(N2CCCC[C@H]2CO)[nH+]cn1)c1ccc(N(C)C)cc1 ZINC000302831379 498593676 /nfs/dbraw/zinc/59/36/76/498593676.db2.gz LCNUAKCMAVGPHD-YJBOKZPZSA-N 1 2 355.486 3.067 20 10 FGCDLO CCc1cccnc1C(=O)N(C)C1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000363151357 498676141 /nfs/dbraw/zinc/67/61/41/498676141.db2.gz FPWMHMDORSGEAD-UHFFFAOYSA-N 1 2 353.466 3.394 20 10 FGCDLO Cc1cc[nH+]c(C)c1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000287503830 498780663 /nfs/dbraw/zinc/78/06/63/498780663.db2.gz LSPMJJVAZHZLCK-UHFFFAOYSA-N 1 2 372.444 3.120 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)c3ccc(C)nc3C)CC2)cc1 ZINC000363376203 498787004 /nfs/dbraw/zinc/78/70/04/498787004.db2.gz IUSORBUJSZTCRL-UHFFFAOYSA-N 1 2 353.466 3.448 20 10 FGCDLO Cc1nc(C)c([C@H](C)[N@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)s1 ZINC000299238206 499002748 /nfs/dbraw/zinc/00/27/48/499002748.db2.gz JXCIYSUONUGLRL-AWEZNQCLSA-N 1 2 360.527 3.135 20 10 FGCDLO Cc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)s1 ZINC000299238206 499002756 /nfs/dbraw/zinc/00/27/56/499002756.db2.gz JXCIYSUONUGLRL-AWEZNQCLSA-N 1 2 360.527 3.135 20 10 FGCDLO CC[C@H]([NH2+][C@H]1CCN(c2ccccc2C(N)=O)C1)c1cccc(Cl)c1O ZINC000367896791 499242814 /nfs/dbraw/zinc/24/28/14/499242814.db2.gz PDQOCXWQBDAFBG-GUYCJALGSA-N 1 2 373.884 3.464 20 10 FGCDLO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H]2c2nccs2)cc1 ZINC000370782636 499254066 /nfs/dbraw/zinc/25/40/66/499254066.db2.gz LQKYOPUWZMYTGI-QGZVFWFLSA-N 1 2 358.511 3.005 20 10 FGCDLO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCC[C@@H]2c2nccs2)cc1 ZINC000370782636 499254068 /nfs/dbraw/zinc/25/40/68/499254068.db2.gz LQKYOPUWZMYTGI-QGZVFWFLSA-N 1 2 358.511 3.005 20 10 FGCDLO Cn1ccc([C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)c2ccc(Cl)cc2)n1 ZINC000371992960 499387762 /nfs/dbraw/zinc/38/77/62/499387762.db2.gz PPAVFCCFOIQIET-IBGZPJMESA-N 1 2 371.824 3.387 20 10 FGCDLO OC[C@@]1([NH2+]Cc2cc(Cl)cc(Cl)c2O)COc2ccccc2C1 ZINC000527770393 503936562 /nfs/dbraw/zinc/93/65/62/503936562.db2.gz UZHBEYNFDBLJFP-QGZVFWFLSA-N 1 2 354.233 3.155 20 10 FGCDLO COc1cccc(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)c1O ZINC000528862487 504421451 /nfs/dbraw/zinc/42/14/51/504421451.db2.gz RDOCYZWJKPSJIV-QGZVFWFLSA-N 1 2 374.868 3.335 20 10 FGCDLO COc1cccc(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)c1O ZINC000528862487 504421456 /nfs/dbraw/zinc/42/14/56/504421456.db2.gz RDOCYZWJKPSJIV-QGZVFWFLSA-N 1 2 374.868 3.335 20 10 FGCDLO CCN(CC)c1ccc(CNc2c(-c3nn[nH]n3)c[nH+]c3ccccc32)cc1 ZINC000821197066 599481912 /nfs/dbraw/zinc/48/19/12/599481912.db2.gz FPGSKCLJALDXGG-UHFFFAOYSA-N 1 2 373.464 3.295 20 10 FGCDLO Oc1ccc(Cl)cc1C[N@H+]1CCOC[C@H]1C[C@H](O)c1cccs1 ZINC000091920901 700428521 /nfs/dbraw/zinc/42/85/21/700428521.db2.gz UNPIOSLWHJSJAW-ZBFHGGJFSA-N 1 2 353.871 3.432 20 10 FGCDLO Oc1ccc(Cl)cc1C[N@@H+]1CCOC[C@H]1C[C@H](O)c1cccs1 ZINC000091920901 700428523 /nfs/dbraw/zinc/42/85/23/700428523.db2.gz UNPIOSLWHJSJAW-ZBFHGGJFSA-N 1 2 353.871 3.432 20 10 FGCDLO COc1ccc(C[N@H+](CCO)Cc2c(O)cccc2Cl)c(OC)c1 ZINC000125397153 700735584 /nfs/dbraw/zinc/73/55/84/700735584.db2.gz HKFXGVXPCULFFR-UHFFFAOYSA-N 1 2 351.830 3.057 20 10 FGCDLO COc1ccc(C[N@@H+](CCO)Cc2c(O)cccc2Cl)c(OC)c1 ZINC000125397153 700735586 /nfs/dbraw/zinc/73/55/86/700735586.db2.gz HKFXGVXPCULFFR-UHFFFAOYSA-N 1 2 351.830 3.057 20 10 FGCDLO C[C@@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1cccc(Br)c1O ZINC000227688772 713573372 /nfs/dbraw/zinc/57/33/72/713573372.db2.gz HFELNJCRDRDXPK-JTQLQIEISA-N 1 2 359.264 3.158 20 10 FGCDLO Oc1c(Cl)cc(Cl)cc1CN1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000768252236 723652012 /nfs/dbraw/zinc/65/20/12/723652012.db2.gz ZANGHYGXZJMZHM-OAHLLOKOSA-N 1 2 359.297 3.386 20 10 FGCDLO Oc1c(Cl)cc(Cl)cc1CN1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000768252236 723652013 /nfs/dbraw/zinc/65/20/13/723652013.db2.gz ZANGHYGXZJMZHM-OAHLLOKOSA-N 1 2 359.297 3.386 20 10 FGCDLO Cc1nnc([C@@H]2CCC[N@H+](Cc3cc(C)cc(Br)c3O)C2)[nH]1 ZINC000781907155 724610425 /nfs/dbraw/zinc/61/04/25/724610425.db2.gz FGAARQKIOVHWHO-GFCCVEGCSA-N 1 2 365.275 3.269 20 10 FGCDLO Cc1nnc([C@@H]2CCC[N@@H+](Cc3cc(C)cc(Br)c3O)C2)[nH]1 ZINC000781907155 724610426 /nfs/dbraw/zinc/61/04/26/724610426.db2.gz FGAARQKIOVHWHO-GFCCVEGCSA-N 1 2 365.275 3.269 20 10 FGCDLO Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3cc(C)cc(Br)c3O)C2)n1 ZINC000781907155 724610429 /nfs/dbraw/zinc/61/04/29/724610429.db2.gz FGAARQKIOVHWHO-GFCCVEGCSA-N 1 2 365.275 3.269 20 10 FGCDLO Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3cc(C)cc(Br)c3O)C2)n1 ZINC000781907155 724610430 /nfs/dbraw/zinc/61/04/30/724610430.db2.gz FGAARQKIOVHWHO-GFCCVEGCSA-N 1 2 365.275 3.269 20 10 FGCDLO Cc1nc([C@@H]2CCC[N@H+](Cc3cc(C)cc(Br)c3O)C2)n[nH]1 ZINC000781907155 724610434 /nfs/dbraw/zinc/61/04/34/724610434.db2.gz FGAARQKIOVHWHO-GFCCVEGCSA-N 1 2 365.275 3.269 20 10 FGCDLO Cc1nc([C@@H]2CCC[N@@H+](Cc3cc(C)cc(Br)c3O)C2)n[nH]1 ZINC000781907155 724610435 /nfs/dbraw/zinc/61/04/35/724610435.db2.gz FGAARQKIOVHWHO-GFCCVEGCSA-N 1 2 365.275 3.269 20 10 FGCDLO CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCc1c[nH+]cn1C ZINC000748651061 722700315 /nfs/dbraw/zinc/70/03/15/722700315.db2.gz BFCQVEHCMQCWRB-UHFFFAOYSA-N 1 2 356.451 3.367 20 10 FGCDLO CCN(CC)C(=O)C[NH2+][C@H](C)c1cc(Br)cc(Cl)c1O ZINC000756456140 722964957 /nfs/dbraw/zinc/96/49/57/722964957.db2.gz MCDYGYSUNMEOIY-SECBINFHSA-N 1 2 363.683 3.327 20 10 FGCDLO C[C@@H](Cc1cnccn1)[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000756495307 722965640 /nfs/dbraw/zinc/96/56/40/722965640.db2.gz PGPZBLJHUQMOST-UWVGGRQHSA-N 1 2 354.223 3.366 20 10 FGCDLO C[C@H]([NH2+]CCC(=O)NC(C)(C)C)c1cc(Br)c(F)cc1O ZINC000756681425 722968670 /nfs/dbraw/zinc/96/86/70/722968670.db2.gz BAGQHDJCSTYSEQ-VIFPVBQESA-N 1 2 361.255 3.249 20 10 FGCDLO CC(C)OCC[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000757976775 722982314 /nfs/dbraw/zinc/98/23/14/722982314.db2.gz CHVYARBGWHNIKF-UHFFFAOYSA-N 1 2 367.081 3.432 20 10 FGCDLO C[C@@H]([NH2+][C@@H](C)c1nnnn1C1CC1)c1cc(Br)c(F)cc1O ZINC000790754717 723174332 /nfs/dbraw/zinc/17/43/32/723174332.db2.gz JGCSBHGWZBIMTD-SFYZADRCSA-N 1 2 370.226 3.027 20 10 FGCDLO Cc1cc(Br)c(O)c(C[N@H+]2C[C@@H](C)OC3(CCOCC3)C2)c1 ZINC000790932450 723195538 /nfs/dbraw/zinc/19/55/38/723195538.db2.gz QDMJNDPQXLEHJJ-CYBMUJFWSA-N 1 2 370.287 3.233 20 10 FGCDLO Cc1cc(Br)c(O)c(C[N@@H+]2C[C@@H](C)OC3(CCOCC3)C2)c1 ZINC000790932450 723195540 /nfs/dbraw/zinc/19/55/40/723195540.db2.gz QDMJNDPQXLEHJJ-CYBMUJFWSA-N 1 2 370.287 3.233 20 10 FGCDLO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2cccc(Br)c2O)[C@@H]1C ZINC000793187034 723408816 /nfs/dbraw/zinc/40/88/16/723408816.db2.gz UTRSQTCNDTUFAM-SUNKGSAMSA-N 1 2 356.260 3.222 20 10 FGCDLO Cc1cc(Br)c(O)c(C[N@@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)c1 ZINC000796032111 723618148 /nfs/dbraw/zinc/61/81/48/723618148.db2.gz NWCBSXYLYMOXSY-GUYCJALGSA-N 1 2 370.287 3.233 20 10 FGCDLO O=C(c1ccc(F)c(F)c1)N1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000768333723 723654308 /nfs/dbraw/zinc/65/43/08/723654308.db2.gz HVYZYNQUECUBEI-UHFFFAOYSA-N 1 2 366.795 3.282 20 10 FGCDLO O=C1CCCCN1[C@@H]1CCC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000769340650 723682898 /nfs/dbraw/zinc/68/28/98/723682898.db2.gz CNGRUFVNOGFARM-CQSZACIVSA-N 1 2 367.287 3.132 20 10 FGCDLO O=C1CCCCN1[C@@H]1CCC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000769340650 723682899 /nfs/dbraw/zinc/68/28/99/723682899.db2.gz CNGRUFVNOGFARM-CQSZACIVSA-N 1 2 367.287 3.132 20 10 FGCDLO CCN(CC)c1ccc(C[N@@H+]2CCCC[C@@H](S(C)(=O)=O)C2)cc1F ZINC000775191685 723970016 /nfs/dbraw/zinc/97/00/16/723970016.db2.gz IMLSFTRQRSSTAQ-MRXNPFEDSA-N 1 2 356.507 3.071 20 10 FGCDLO CCN(CC)c1ccc(C[N@H+]2CCCC[C@@H](S(C)(=O)=O)C2)cc1F ZINC000775191685 723970017 /nfs/dbraw/zinc/97/00/17/723970017.db2.gz IMLSFTRQRSSTAQ-MRXNPFEDSA-N 1 2 356.507 3.071 20 10 FGCDLO Cc1cc(Br)cc(CN2CC[NH+](Cc3ccco3)CC2)c1O ZINC000775644843 724015046 /nfs/dbraw/zinc/01/50/46/724015046.db2.gz RWTIIQXNIAONCR-UHFFFAOYSA-N 1 2 365.271 3.374 20 10 FGCDLO Cc1cc(Br)cc(C[NH+]2CCN(Cc3ccco3)CC2)c1O ZINC000775644843 724015048 /nfs/dbraw/zinc/01/50/48/724015048.db2.gz RWTIIQXNIAONCR-UHFFFAOYSA-N 1 2 365.271 3.374 20 10 FGCDLO OCC[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(Br)c1O ZINC000799351681 724016401 /nfs/dbraw/zinc/01/64/01/724016401.db2.gz UBUVLZGFWIJMNB-HNNXBMFYSA-N 1 2 350.256 3.238 20 10 FGCDLO CO[C@@H](C)CC[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000776154103 724114026 /nfs/dbraw/zinc/11/40/26/724114026.db2.gz OZEWDCKOLDLPFJ-QMMMGPOBSA-N 1 2 367.081 3.432 20 10 FGCDLO CN(C)c1ccc(C[NH2+]Cc2nc3ccccn3c2Br)cc1 ZINC000809604007 725251390 /nfs/dbraw/zinc/25/13/90/725251390.db2.gz XKEXYICCVKURQJ-UHFFFAOYSA-N 1 2 359.271 3.453 20 10 FGCDLO Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc(C)cc(Br)c1[O-] ZINC000809752533 725265254 /nfs/dbraw/zinc/26/52/54/725265254.db2.gz FOWDEAIZIJKJIS-UHFFFAOYSA-N 1 2 352.276 3.490 20 10 FGCDLO Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(C)cc(Br)c1[O-] ZINC000809752533 725265257 /nfs/dbraw/zinc/26/52/57/725265257.db2.gz FOWDEAIZIJKJIS-UHFFFAOYSA-N 1 2 352.276 3.490 20 10 FGCDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cc(Cl)c(F)cc3O)C2)nc1 ZINC000816513909 727170050 /nfs/dbraw/zinc/17/00/50/727170050.db2.gz GMIDTTOIXDYSSD-NSHDSACASA-N 1 2 366.780 3.174 20 10 FGCDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cc(Cl)c(F)cc3O)C2)nc1 ZINC000816513909 727170053 /nfs/dbraw/zinc/17/00/53/727170053.db2.gz GMIDTTOIXDYSSD-NSHDSACASA-N 1 2 366.780 3.174 20 10 FGCDLO COc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCc3cn[nH]c3C2)c1O ZINC000848533157 731176700 /nfs/dbraw/zinc/17/67/00/731176700.db2.gz OKKYYOAZYBEKNI-BXKDBHETSA-N 1 2 366.259 3.095 20 10 FGCDLO Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]Cc2cccc(Br)c2O)cn1 ZINC000850385021 731351119 /nfs/dbraw/zinc/35/11/19/731351119.db2.gz WORQYWKGCQDJPZ-CJNGLKHVSA-N 1 2 364.287 3.389 20 10 FGCDLO CC[C@@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c1cccc(Cl)c1O ZINC000850518332 731367795 /nfs/dbraw/zinc/36/77/95/731367795.db2.gz OQUZQNZIWQNDEO-LLVKDONJSA-N 1 2 359.797 3.063 20 10 FGCDLO Cc1cncc(CC[NH2+][C@H](C)c2cc(Br)c(F)cc2O)n1 ZINC000850551237 731372042 /nfs/dbraw/zinc/37/20/42/731372042.db2.gz SRYYMGDRKRPBEV-SNVBAGLBSA-N 1 2 354.223 3.286 20 10 FGCDLO CN(C)c1ccc(CN(C)C(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)cc1 ZINC000873860394 735811681 /nfs/dbraw/zinc/81/16/81/735811681.db2.gz KWSPFXVXZYTQLU-OAHLLOKOSA-N 1 2 354.376 3.101 20 10 FGCDLO O=C1[C@@H]([NH2+]Cc2cc(Cl)cc(Br)c2O)CCN1C1CCC1 ZINC000883191884 737533984 /nfs/dbraw/zinc/53/39/84/737533984.db2.gz LTNSZZKBPVHBSU-ZDUSSCGKSA-N 1 2 373.678 3.051 20 10 FGCDLO COCCO[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC000894530796 742295755 /nfs/dbraw/zinc/29/57/55/742295755.db2.gz MTNZHXJRLYYCNJ-GFCCVEGCSA-N 1 2 364.667 3.045 20 10 FGCDLO COCCO[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC000894530796 742295760 /nfs/dbraw/zinc/29/57/60/742295760.db2.gz MTNZHXJRLYYCNJ-GFCCVEGCSA-N 1 2 364.667 3.045 20 10 FGCDLO C[N@@H+]1CCc2nc(NC(=O)c3cc4cc(O)c(O)cc4s3)sc2C1 ZINC000895482458 742417337 /nfs/dbraw/zinc/41/73/37/742417337.db2.gz GHGPITCCAKXZFI-UHFFFAOYSA-N 1 2 361.448 3.009 20 10 FGCDLO C[N@H+]1CCc2nc(NC(=O)c3cc4cc(O)c(O)cc4s3)sc2C1 ZINC000895482458 742417340 /nfs/dbraw/zinc/41/73/40/742417340.db2.gz GHGPITCCAKXZFI-UHFFFAOYSA-N 1 2 361.448 3.009 20 10 FGCDLO C[C@@H](CCCOc1ccccc1C(N)=O)[NH2+]Cc1cccc(Cl)c1O ZINC000898219537 742760533 /nfs/dbraw/zinc/76/05/33/742760533.db2.gz YXZUMZFUNWAGDJ-ZDUSSCGKSA-N 1 2 362.857 3.482 20 10 FGCDLO Cc1cc(Br)c(O)c(C[NH2+]Cc2cc(N(C)C)ccn2)c1 ZINC000922482440 758933605 /nfs/dbraw/zinc/93/36/05/758933605.db2.gz HQYGLVNRJMGNEV-UHFFFAOYSA-N 1 2 350.260 3.214 20 10 FGCDLO Cc1cc(CC[NH2+][C@H](C)c2cc(Br)cc(F)c2O)nn1C ZINC000926911420 759845594 /nfs/dbraw/zinc/84/55/94/759845594.db2.gz PXKXYMRFXGZPQZ-SNVBAGLBSA-N 1 2 356.239 3.229 20 10 FGCDLO CCCOc1ccc(C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)c(O)c1 ZINC000092040463 494766609 /nfs/dbraw/zinc/76/66/09/494766609.db2.gz GXECRCHMWFGKQJ-LPHOPBHVSA-N 1 2 361.438 3.099 20 10 FGCDLO CCCOc1ccc(C[N@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)c(O)c1 ZINC000092040463 494766614 /nfs/dbraw/zinc/76/66/14/494766614.db2.gz GXECRCHMWFGKQJ-LPHOPBHVSA-N 1 2 361.438 3.099 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(N3CCCCC3=O)CC2)c1O ZINC000120147110 495316143 /nfs/dbraw/zinc/31/61/43/495316143.db2.gz KWXPPHPQWWHEIX-UHFFFAOYSA-N 1 2 364.873 3.225 20 10 FGCDLO COc1cccc(C[N@@H+]2CCc3c(ncn3CCc3ccccc3)C2)c1O ZINC000184742494 496514961 /nfs/dbraw/zinc/51/49/61/496514961.db2.gz OPNZYIDGIBHBQA-UHFFFAOYSA-N 1 2 363.461 3.398 20 10 FGCDLO COc1cccc(C[N@H+]2CCc3c(ncn3CCc3ccccc3)C2)c1O ZINC000184742494 496514967 /nfs/dbraw/zinc/51/49/67/496514967.db2.gz OPNZYIDGIBHBQA-UHFFFAOYSA-N 1 2 363.461 3.398 20 10 FGCDLO COc1cccc(CN2CCc3c([nH+]cn3CCc3ccccc3)C2)c1O ZINC000184742494 496514971 /nfs/dbraw/zinc/51/49/71/496514971.db2.gz OPNZYIDGIBHBQA-UHFFFAOYSA-N 1 2 363.461 3.398 20 10 FGCDLO COc1cc(O)c(C[N@@H+]2CCSC[C@H]2c2nccs2)cc1OC ZINC000184882586 496570127 /nfs/dbraw/zinc/57/01/27/496570127.db2.gz LWRKITIDFRIYHH-LBPRGKRZSA-N 1 2 352.481 3.156 20 10 FGCDLO COc1cc(O)c(C[N@H+]2CCSC[C@H]2c2nccs2)cc1OC ZINC000184882586 496570130 /nfs/dbraw/zinc/57/01/30/496570130.db2.gz LWRKITIDFRIYHH-LBPRGKRZSA-N 1 2 352.481 3.156 20 10 FGCDLO C[C@H]([NH2+]Cc1ccc(N2CCCC2=O)cc1)c1cc([N+](=O)[O-])ccc1O ZINC000273364670 496784541 /nfs/dbraw/zinc/78/45/41/496784541.db2.gz DQBRNJIPYQNXPK-ZDUSSCGKSA-N 1 2 355.394 3.278 20 10 FGCDLO C[C@@H]([NH2+]Cc1cccnc1OCC(F)(F)F)c1cc([N+](=O)[O-])ccc1O ZINC000273398520 496794687 /nfs/dbraw/zinc/79/46/87/496794687.db2.gz MQOUYGCLIKIAGH-SNVBAGLBSA-N 1 2 371.315 3.487 20 10 FGCDLO Cc1nnc([C@@H](C)[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)s1 ZINC000274175546 497033095 /nfs/dbraw/zinc/03/30/95/497033095.db2.gz IDWHUJFZOXERPV-NWDGAFQWSA-N 1 2 350.463 3.234 20 10 FGCDLO COC(=O)/C=C/c1ccc(N2CCCC[C@H]2c2[nH]cc[nH+]2)c([N+](=O)[O-])c1 ZINC000267309851 497522800 /nfs/dbraw/zinc/52/28/00/497522800.db2.gz WYANBBCAVKVCEK-VFADXPBXSA-N 1 2 356.382 3.236 20 10 FGCDLO COc1cccc(-n2cc(C[NH2+][C@H](C)c3ccc(F)c(F)c3O)nn2)c1 ZINC000364794152 498146228 /nfs/dbraw/zinc/14/62/28/498146228.db2.gz QZSRLSPYDSMARH-LLVKDONJSA-N 1 2 360.364 3.111 20 10 FGCDLO COC(=O)/C=C/c1ccc(N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC000301651838 498207773 /nfs/dbraw/zinc/20/77/73/498207773.db2.gz SPMCMKKZKBPAQD-LVBPGNQCSA-N 1 2 370.409 3.065 20 10 FGCDLO Oc1cc(F)c(Cl)cc1CNc1cccc(CN2CCOCC2)[nH+]1 ZINC000293559444 498411603 /nfs/dbraw/zinc/41/16/03/498411603.db2.gz HWKOIHVWGHKWJY-UHFFFAOYSA-N 1 2 351.809 3.024 20 10 FGCDLO Nc1[nH+]cnc(N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1Cl ZINC000302899990 498621236 /nfs/dbraw/zinc/62/12/36/498621236.db2.gz QHXBWJJNMBPDNI-JTQLQIEISA-N 1 2 369.803 3.395 20 10 FGCDLO Nc1nc[nH+]c(N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1Cl ZINC000302899990 498621241 /nfs/dbraw/zinc/62/12/41/498621241.db2.gz QHXBWJJNMBPDNI-JTQLQIEISA-N 1 2 369.803 3.395 20 10 FGCDLO CC[C@H]([NH2+]Cc1cccc(S(=O)(=O)NC)c1)c1cccc(Cl)c1O ZINC000287904067 498898533 /nfs/dbraw/zinc/89/85/33/498898533.db2.gz ZTBZQSYBSHJJST-INIZCTEOSA-N 1 2 368.886 3.195 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)[C@H](C)c3c(C)n[nH]c3C)CC2)cc1 ZINC000363722115 498960370 /nfs/dbraw/zinc/96/03/70/498960370.db2.gz JUNYRCXEEYKGFX-CQSZACIVSA-N 1 2 370.497 3.266 20 10 FGCDLO C[C@@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC[C@H]1N1CC[NH+](C)CC1 ZINC000370711131 499246899 /nfs/dbraw/zinc/24/68/99/499246899.db2.gz ODZNJYSNHBSSAA-CXAGYDPISA-N 1 2 372.340 3.157 20 10 FGCDLO C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC[C@H]1N1CC[NH+](C)CC1 ZINC000370711131 499246900 /nfs/dbraw/zinc/24/69/00/499246900.db2.gz ODZNJYSNHBSSAA-CXAGYDPISA-N 1 2 372.340 3.157 20 10 FGCDLO Cc1cc(C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)c(C)n1-c1ccccn1 ZINC000373041069 499448597 /nfs/dbraw/zinc/44/85/97/499448597.db2.gz DWKSPAWJRMLHQH-QGZVFWFLSA-N 1 2 363.465 3.242 20 10 FGCDLO Cc1cc(Br)cc(C[NH+]2CCN(CC(F)(F)F)CC2)c1O ZINC000158023401 705170109 /nfs/dbraw/zinc/17/01/09/705170109.db2.gz SLXPIAKGMYAYFC-UHFFFAOYSA-N 1 2 367.209 3.143 20 10 FGCDLO CCCC[N@H+](Cc1cc(Cl)cc(C(C)=O)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000177279242 705615907 /nfs/dbraw/zinc/61/59/07/705615907.db2.gz GSYQBQFOXFGYQV-HNNXBMFYSA-N 1 2 373.902 3.037 20 10 FGCDLO CCCC[N@@H+](Cc1cc(Cl)cc(C(C)=O)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000177279242 705615911 /nfs/dbraw/zinc/61/59/11/705615911.db2.gz GSYQBQFOXFGYQV-HNNXBMFYSA-N 1 2 373.902 3.037 20 10 FGCDLO Cc1cc(Cl)cc(C[NH2+]Cc2ncn(Cc3cccc(F)c3)n2)c1O ZINC000783716636 724780929 /nfs/dbraw/zinc/78/09/29/724780929.db2.gz DMZBCRBXUSRBPL-UHFFFAOYSA-N 1 2 360.820 3.423 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H](N3CCCCC3=O)C2)c1O ZINC000750044746 722752695 /nfs/dbraw/zinc/75/26/95/722752695.db2.gz JPQCLNHNUWSIQX-MRXNPFEDSA-N 1 2 364.873 3.225 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H](N3CCCCC3=O)C2)c1O ZINC000750044746 722752698 /nfs/dbraw/zinc/75/26/98/722752698.db2.gz JPQCLNHNUWSIQX-MRXNPFEDSA-N 1 2 364.873 3.225 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)c1O ZINC000750058884 722753310 /nfs/dbraw/zinc/75/33/10/722753310.db2.gz ZLVHKLODGUJQIZ-LBPRGKRZSA-N 1 2 353.846 3.412 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)c1O ZINC000750058884 722753312 /nfs/dbraw/zinc/75/33/12/722753312.db2.gz ZLVHKLODGUJQIZ-LBPRGKRZSA-N 1 2 353.846 3.412 20 10 FGCDLO C[C@H](CC[NH2+][C@@H](C)c1cc(Br)c(F)cc1O)[S@@](C)=O ZINC000756762646 722969719 /nfs/dbraw/zinc/96/97/19/722969719.db2.gz QBHYYQIESWCEPZ-BLBZPCKPSA-N 1 2 352.269 3.102 20 10 FGCDLO CCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000760883186 723101166 /nfs/dbraw/zinc/10/11/66/723101166.db2.gz AOTZIGPMTGAULZ-OWYVNGRQSA-N 1 2 362.239 3.138 20 10 FGCDLO Oc1cc2c(cc1C[N@@H+]1CCO[C@@H](c3ccccc3Cl)C1)[C@H](O)CO2 ZINC000768452181 723657960 /nfs/dbraw/zinc/65/79/60/723657960.db2.gz PSPTUSSXZKXKFM-IEBWSBKVSA-N 1 2 361.825 3.045 20 10 FGCDLO Oc1cc2c(cc1C[N@H+]1CCO[C@@H](c3ccccc3Cl)C1)[C@H](O)CO2 ZINC000768452181 723657962 /nfs/dbraw/zinc/65/79/62/723657962.db2.gz PSPTUSSXZKXKFM-IEBWSBKVSA-N 1 2 361.825 3.045 20 10 FGCDLO C[C@@H]([NH2+]CC1([S@@](C)=O)CCC1)c1cc(Br)cc(F)c1O ZINC000798004602 723897514 /nfs/dbraw/zinc/89/75/14/723897514.db2.gz NUADWMPVUQKVER-GSDQLPOLSA-N 1 2 364.280 3.246 20 10 FGCDLO CCCC[N@@H+]1CCCC[C@@H]1CNCc1ccc([N+](=O)[O-])c(OC)c1O ZINC000775012361 723951676 /nfs/dbraw/zinc/95/16/76/723951676.db2.gz HDBIHVYQXPQVJB-OAHLLOKOSA-N 1 2 351.447 3.053 20 10 FGCDLO CCCC[N@H+]1CCCC[C@@H]1CNCc1ccc([N+](=O)[O-])c(OC)c1O ZINC000775012361 723951677 /nfs/dbraw/zinc/95/16/77/723951677.db2.gz HDBIHVYQXPQVJB-OAHLLOKOSA-N 1 2 351.447 3.053 20 10 FGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]Cc1ccnc(OC2CCOCC2)c1 ZINC000776175100 724115825 /nfs/dbraw/zinc/11/58/25/724115825.db2.gz UVKSVQLQXXOPEB-UHFFFAOYSA-N 1 2 366.820 3.427 20 10 FGCDLO CCOc1ccc(C[NH2+]CC(F)(F)CNC(=O)OC(C)(C)C)c(O)c1 ZINC000778187323 724308423 /nfs/dbraw/zinc/30/84/23/724308423.db2.gz JBIOCFBMIZARPR-UHFFFAOYSA-N 1 2 360.401 3.041 20 10 FGCDLO CCn1cccc(C[NH2+][C@H](C)c2cc(Br)cc(F)c2O)c1=O ZINC000788603326 725075157 /nfs/dbraw/zinc/07/51/57/725075157.db2.gz BJHGYOTYJVXKPD-SNVBAGLBSA-N 1 2 369.234 3.326 20 10 FGCDLO CC[N@H+](CC(=O)NCc1cccc(OC)c1O)Cc1ccccc1Cl ZINC000806762747 725142608 /nfs/dbraw/zinc/14/26/08/725142608.db2.gz JNKDMLVMMNJNOE-UHFFFAOYSA-N 1 2 362.857 3.193 20 10 FGCDLO CC[N@@H+](CC(=O)NCc1cccc(OC)c1O)Cc1ccccc1Cl ZINC000806762747 725142611 /nfs/dbraw/zinc/14/26/11/725142611.db2.gz JNKDMLVMMNJNOE-UHFFFAOYSA-N 1 2 362.857 3.193 20 10 FGCDLO O=C1COc2ccccc2N1CCC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816554819 727175058 /nfs/dbraw/zinc/17/50/58/727175058.db2.gz JURIBXGSOBIMFH-UHFFFAOYSA-N 1 2 364.804 3.090 20 10 FGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]Cc1cccc(N2CCOCC2)c1 ZINC000816628661 727181955 /nfs/dbraw/zinc/18/19/55/727181955.db2.gz FIBCMYNOAJVVJH-UHFFFAOYSA-N 1 2 350.821 3.311 20 10 FGCDLO CCOC(=O)[C@@H](F)C1C[NH+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000816635743 727183013 /nfs/dbraw/zinc/18/30/13/727183013.db2.gz UYIDZIUPISAUFR-HNNXBMFYSA-N 1 2 362.367 3.104 20 10 FGCDLO OCC[N@@H+](Cc1ccc(Br)cc1O)Cc1cccnc1Cl ZINC000825752732 729394011 /nfs/dbraw/zinc/39/40/11/729394011.db2.gz IHPYZSSFHJZLSA-UHFFFAOYSA-N 1 2 371.662 3.198 20 10 FGCDLO C[N@@H+]1CC[C@@H](NC(=O)Cc2ccc(N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000831452814 729643225 /nfs/dbraw/zinc/64/32/25/729643225.db2.gz UFTJGVZBTHTYKJ-IEBWSBKVSA-N 1 2 361.848 3.165 20 10 FGCDLO C[N@H+]1CC[C@@H](NC(=O)Cc2ccc(N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000831452814 729643229 /nfs/dbraw/zinc/64/32/29/729643229.db2.gz UFTJGVZBTHTYKJ-IEBWSBKVSA-N 1 2 361.848 3.165 20 10 FGCDLO CCS[C@@H](C)c1noc(C[N@H+](C)CCN(C)c2ccc(OC)cc2)n1 ZINC000844401759 730713045 /nfs/dbraw/zinc/71/30/45/730713045.db2.gz PXGYEHIAOGRSPA-AWEZNQCLSA-N 1 2 364.515 3.461 20 10 FGCDLO CCS[C@@H](C)c1noc(C[N@@H+](C)CCN(C)c2ccc(OC)cc2)n1 ZINC000844401759 730713047 /nfs/dbraw/zinc/71/30/47/730713047.db2.gz PXGYEHIAOGRSPA-AWEZNQCLSA-N 1 2 364.515 3.461 20 10 FGCDLO COCc1cc[nH+]c(NCc2cc(Br)cc(OC)c2O)c1 ZINC000846117971 730930283 /nfs/dbraw/zinc/93/02/83/730930283.db2.gz SIKUDLRSLBAQNI-UHFFFAOYSA-N 1 2 353.216 3.317 20 10 FGCDLO C[C@H]([NH2+][C@H]1C[C@@H](C)n2ncnc21)c1ccc(N2CCOCC2)cc1Cl ZINC000850499235 731364693 /nfs/dbraw/zinc/36/46/93/731364693.db2.gz LLTSPZCRANOCJK-IGCXYCKISA-N 1 2 361.877 3.125 20 10 FGCDLO Cc1cncc(CC[NH2+][C@@H](C)c2cc(Br)cc(F)c2O)n1 ZINC000850549949 731371911 /nfs/dbraw/zinc/37/19/11/731371911.db2.gz MJBXJQCRVKEEFH-JTQLQIEISA-N 1 2 354.223 3.286 20 10 FGCDLO CC[C@H]([NH2+]CCN1C[C@@H]2CCCCN2C1=O)c1cccc(Cl)c1O ZINC000850561126 731373522 /nfs/dbraw/zinc/37/35/22/731373522.db2.gz HZXQHVKVIXSWDS-BBRMVZONSA-N 1 2 351.878 3.376 20 10 FGCDLO C[C@@H]([NH2+]Cc1nnc(C(F)(F)F)s1)c1ccc(N2CCOCC2)cc1 ZINC000851896256 731516017 /nfs/dbraw/zinc/51/60/17/731516017.db2.gz IXOHOLDGYAFWMC-LLVKDONJSA-N 1 2 372.416 3.244 20 10 FGCDLO CC[NH+]1CCN(c2ccc(CNCc3ccncc3Cl)cc2F)CC1 ZINC000858130865 732183577 /nfs/dbraw/zinc/18/35/77/732183577.db2.gz BOMLVMMYWRYQRL-UHFFFAOYSA-N 1 2 362.880 3.306 20 10 FGCDLO CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1cc(Cl)cc(Cl)c1[O-] ZINC000858469306 732217713 /nfs/dbraw/zinc/21/77/13/732217713.db2.gz SYJJXYMOWGOJHK-GJZGRUSLSA-N 1 2 374.312 3.080 20 10 FGCDLO CC[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1cc(Cl)cc(Cl)c1[O-] ZINC000858469306 732217717 /nfs/dbraw/zinc/21/77/17/732217717.db2.gz SYJJXYMOWGOJHK-GJZGRUSLSA-N 1 2 374.312 3.080 20 10 FGCDLO CC(C)CC(=O)N1CCC[N@H+](Cc2cccc(Br)c2O)CC1 ZINC000877773956 736717784 /nfs/dbraw/zinc/71/77/84/736717784.db2.gz BQBRCRKMUWUOTK-UHFFFAOYSA-N 1 2 369.303 3.235 20 10 FGCDLO CC(C)CC(=O)N1CCC[N@@H+](Cc2cccc(Br)c2O)CC1 ZINC000877773956 736717789 /nfs/dbraw/zinc/71/77/89/736717789.db2.gz BQBRCRKMUWUOTK-UHFFFAOYSA-N 1 2 369.303 3.235 20 10 FGCDLO COc1ccc([C@@H](O)C[NH2+]Cc2cc(Br)cc(F)c2O)cc1 ZINC000882884524 737501264 /nfs/dbraw/zinc/50/12/64/737501264.db2.gz MUYXZUBEYKNNGY-HNNXBMFYSA-N 1 2 370.218 3.126 20 10 FGCDLO Oc1c(Br)cc(Cl)cc1C[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000896378854 742542014 /nfs/dbraw/zinc/54/20/14/742542014.db2.gz VCXKJWQPTZBQER-VIFPVBQESA-N 1 2 362.651 3.003 20 10 FGCDLO Oc1c(Br)cc(Cl)cc1C[N@H+]1CC[C@H](C2OCCO2)C1 ZINC000896378854 742542021 /nfs/dbraw/zinc/54/20/21/742542021.db2.gz VCXKJWQPTZBQER-VIFPVBQESA-N 1 2 362.651 3.003 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)NCCCSC)CC2)cc1 ZINC000077621208 494127015 /nfs/dbraw/zinc/12/70/15/494127015.db2.gz DSEVWMAOHBBJLB-UHFFFAOYSA-N 1 2 351.516 3.059 20 10 FGCDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000185383425 495558259 /nfs/dbraw/zinc/55/82/59/495558259.db2.gz IAUGEUIVXKABNZ-LYKUJDHUSA-N 1 2 358.463 3.078 20 10 FGCDLO CC[N@H+](Cc1nc([C@H](C)OC)no1)Cc1cc(Br)ccc1O ZINC000175285581 496322904 /nfs/dbraw/zinc/32/29/04/496322904.db2.gz AAKNEFPWNGFZNW-JTQLQIEISA-N 1 2 370.247 3.267 20 10 FGCDLO CC[N@@H+](Cc1nc([C@H](C)OC)no1)Cc1cc(Br)ccc1O ZINC000175285581 496322912 /nfs/dbraw/zinc/32/29/12/496322912.db2.gz AAKNEFPWNGFZNW-JTQLQIEISA-N 1 2 370.247 3.267 20 10 FGCDLO CC[NH+]1CCN(c2cccc(NC(=O)c3cc(F)c(O)c(F)c3)c2)CC1 ZINC000187407777 496428362 /nfs/dbraw/zinc/42/83/62/496428362.db2.gz MJXUUKQKKPIJNF-UHFFFAOYSA-N 1 2 361.392 3.065 20 10 FGCDLO C[C@@H](c1cccc(NC(=O)NCc2ccccc2O)c1)[NH+]1CCOCC1 ZINC000264275820 496859052 /nfs/dbraw/zinc/85/90/52/496859052.db2.gz VQMKRODJJZAEDS-HNNXBMFYSA-N 1 2 355.438 3.107 20 10 FGCDLO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2cc(COC(C)(C)C)on2)c1 ZINC000275026753 497221666 /nfs/dbraw/zinc/22/16/66/497221666.db2.gz VESBUXLIRRMTEQ-GFCCVEGCSA-N 1 2 362.426 3.333 20 10 FGCDLO Cc1ccc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)c(C)[nH+]1 ZINC000275812878 497438098 /nfs/dbraw/zinc/43/80/98/497438098.db2.gz MUHFLACAVLJCKD-UHFFFAOYSA-N 1 2 366.465 3.443 20 10 FGCDLO O=C(/C=C/c1ccc(O)c(O)c1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000279519578 497460740 /nfs/dbraw/zinc/46/07/40/497460740.db2.gz LMLFDOZHKYRGIY-FNORWQNLSA-N 1 2 367.449 3.050 20 10 FGCDLO COc1ccc(OC)c([C@H](O)C[NH2+][C@@H](C)c2ccc(F)c(F)c2O)c1 ZINC000191193986 497740335 /nfs/dbraw/zinc/74/03/35/497740335.db2.gz YRPNXPVJIOQDRC-ZUZCIYMTSA-N 1 2 353.365 3.072 20 10 FGCDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NCc2ccccc2O)C[C@H](C)O1 ZINC000299527190 497835918 /nfs/dbraw/zinc/83/59/18/497835918.db2.gz RNRVDUSHVQXBFO-IYBDPMFKSA-N 1 2 369.465 3.323 20 10 FGCDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NCc2ccccc2O)C[C@H](C)O1 ZINC000299527190 497835923 /nfs/dbraw/zinc/83/59/23/497835923.db2.gz RNRVDUSHVQXBFO-IYBDPMFKSA-N 1 2 369.465 3.323 20 10 FGCDLO C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O)c1ccc(F)c(F)c1O ZINC000364499286 497988655 /nfs/dbraw/zinc/98/86/55/497988655.db2.gz BZALQKHXWSKLCK-MEDUHNTESA-N 1 2 364.367 3.261 20 10 FGCDLO CCCNC(=O)c1ccc(NC2CC[NH+](c3ccc(OC)cc3)CC2)nc1 ZINC000301224112 498008509 /nfs/dbraw/zinc/00/85/09/498008509.db2.gz DVUUYEWCOYRIHO-UHFFFAOYSA-N 1 2 368.481 3.311 20 10 FGCDLO C[C@@H]([NH2+]CCc1cnc2c(Cl)cnn2c1)c1ccc(F)c(F)c1O ZINC000297322851 498404365 /nfs/dbraw/zinc/40/43/65/498404365.db2.gz NLKFVVQYHAFLEM-SECBINFHSA-N 1 2 352.772 3.260 20 10 FGCDLO COc1cccc(C[N@@H+]2CCCC[C@@H]2c2nnc([C@H]3CCCO3)o2)c1O ZINC000370665448 499241729 /nfs/dbraw/zinc/24/17/29/499241729.db2.gz BRAOUDVHLHKMBO-GDBMZVCRSA-N 1 2 359.426 3.363 20 10 FGCDLO COc1cccc(C[N@H+]2CCCC[C@@H]2c2nnc([C@H]3CCCO3)o2)c1O ZINC000370665448 499241730 /nfs/dbraw/zinc/24/17/30/499241730.db2.gz BRAOUDVHLHKMBO-GDBMZVCRSA-N 1 2 359.426 3.363 20 10 FGCDLO Cc1[nH+]c(CN[C@H](C)c2ccc(N3CCOCC3)cc2)c2n1CCCC2 ZINC000371401596 499321179 /nfs/dbraw/zinc/32/11/79/499321179.db2.gz QBVDTQOXNUZCDL-MRXNPFEDSA-N 1 2 354.498 3.215 20 10 FGCDLO COc1cc(O)c(C[N@@H+]2CCCC[C@@H]2c2noc(C3CC3)n2)cc1OC ZINC000371418523 499323806 /nfs/dbraw/zinc/32/38/06/499323806.db2.gz OZTHRQUFAKQCDH-CQSZACIVSA-N 1 2 359.426 3.397 20 10 FGCDLO COc1cc(O)c(C[N@H+]2CCCC[C@@H]2c2noc(C3CC3)n2)cc1OC ZINC000371418523 499323808 /nfs/dbraw/zinc/32/38/08/499323808.db2.gz OZTHRQUFAKQCDH-CQSZACIVSA-N 1 2 359.426 3.397 20 10 FGCDLO Cc1nn(CC(F)(F)F)c(C)c1[C@@H]1COCC[N@@H+]1Cc1ccccc1O ZINC000371677884 499353910 /nfs/dbraw/zinc/35/39/10/499353910.db2.gz WRKMVAQHUOAFTE-HNNXBMFYSA-N 1 2 369.387 3.341 20 10 FGCDLO Cc1nn(CC(F)(F)F)c(C)c1[C@@H]1COCC[N@H+]1Cc1ccccc1O ZINC000371677884 499353911 /nfs/dbraw/zinc/35/39/11/499353911.db2.gz WRKMVAQHUOAFTE-HNNXBMFYSA-N 1 2 369.387 3.341 20 10 FGCDLO CC[C@H]([NH2+][C@H]1CCc2cn[nH]c2C1)c1cc(Br)ccc1O ZINC000372344512 499423220 /nfs/dbraw/zinc/42/32/20/499423220.db2.gz GCRSTHOVNYTPCE-JSGCOSHPSA-N 1 2 350.260 3.476 20 10 FGCDLO CC[C@@H]([NH2+]C1CCN(C(=O)c2cnccn2)CC1)c1cccc(Cl)c1O ZINC000376898460 499644575 /nfs/dbraw/zinc/64/45/75/499644575.db2.gz WBSGIEGGEFHUJF-MRXNPFEDSA-N 1 2 374.872 3.181 20 10 FGCDLO O=C(NCCCSc1nccs1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000177800619 705640249 /nfs/dbraw/zinc/64/02/49/705640249.db2.gz QXEAJCXXMBXNHO-UHFFFAOYSA-N 1 2 373.507 3.310 20 10 FGCDLO Cc1cc(Br)cc(C[N@@H+]2CC[S@](=O)C(C)(C)CC2)c1O ZINC000322552558 713813598 /nfs/dbraw/zinc/81/35/98/713813598.db2.gz MUVZFNURHYPFTD-FQEVSTJZSA-N 1 2 360.317 3.196 20 10 FGCDLO Cc1cc(Br)cc(C[N@H+]2CC[S@](=O)C(C)(C)CC2)c1O ZINC000322552558 713813601 /nfs/dbraw/zinc/81/36/01/713813601.db2.gz MUVZFNURHYPFTD-FQEVSTJZSA-N 1 2 360.317 3.196 20 10 FGCDLO Cc1ccc(C(=O)N2CC[NH+](Cc3c(O)cccc3Cl)CC2)cc1F ZINC000768251966 723651918 /nfs/dbraw/zinc/65/19/18/723651918.db2.gz NRDISSSDPJMUHC-UHFFFAOYSA-N 1 2 362.832 3.451 20 10 FGCDLO CC(C)(C)OC(=O)NCC1([NH2+]Cc2cccc(Cl)c2O)CCOCC1 ZINC000705595026 722411813 /nfs/dbraw/zinc/41/18/13/722411813.db2.gz IYIKZDARUJKHGZ-UHFFFAOYSA-N 1 2 370.877 3.209 20 10 FGCDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1Cc1cc(Cl)cc(C(C)=O)c1O ZINC000752090605 722844938 /nfs/dbraw/zinc/84/49/38/722844938.db2.gz BCKCMJVVYWQNFI-SJORKVTESA-N 1 2 366.889 3.470 20 10 FGCDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1Cc1cc(Cl)cc(C(C)=O)c1O ZINC000752090605 722844940 /nfs/dbraw/zinc/84/49/40/722844940.db2.gz BCKCMJVVYWQNFI-SJORKVTESA-N 1 2 366.889 3.470 20 10 FGCDLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000753545805 722903691 /nfs/dbraw/zinc/90/36/91/722903691.db2.gz HPBVKQSPVGWMKO-WHEFHEQHSA-N 1 2 359.491 3.313 20 10 FGCDLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000753545805 722903692 /nfs/dbraw/zinc/90/36/92/722903692.db2.gz HPBVKQSPVGWMKO-WHEFHEQHSA-N 1 2 359.491 3.313 20 10 FGCDLO C[C@H]([NH2+][C@@H]1CCN(CC2CC2)C1)c1cc(Br)c(F)cc1O ZINC000756555012 722966745 /nfs/dbraw/zinc/96/67/45/722966745.db2.gz PTHWESABNZMLBV-CMPLNLGQSA-N 1 2 357.267 3.429 20 10 FGCDLO C[C@H]([NH2+]CC(=O)NC1CCCC1)c1cc(Br)cc(F)c1O ZINC000756706210 722968880 /nfs/dbraw/zinc/96/88/80/722968880.db2.gz NFAVDXKJUBYFKJ-VIFPVBQESA-N 1 2 359.239 3.003 20 10 FGCDLO COC(=O)C[N@H+](CCc1ccccc1)Cc1cc(Cl)cc(OC)c1O ZINC000761216192 723133938 /nfs/dbraw/zinc/13/39/38/723133938.db2.gz MRCLMIDLPIDCEY-UHFFFAOYSA-N 1 2 363.841 3.272 20 10 FGCDLO COC(=O)C[N@@H+](CCc1ccccc1)Cc1cc(Cl)cc(OC)c1O ZINC000761216192 723133942 /nfs/dbraw/zinc/13/39/42/723133942.db2.gz MRCLMIDLPIDCEY-UHFFFAOYSA-N 1 2 363.841 3.272 20 10 FGCDLO C[C@H]([NH2+]C[C@H](CO)Cc1ccc(F)c(F)c1)c1cc(F)cc(F)c1O ZINC000790734592 723171297 /nfs/dbraw/zinc/17/12/97/723171297.db2.gz AGXIILUOBFHPLM-CMPLNLGQSA-N 1 2 357.347 3.450 20 10 FGCDLO CCC[N@@H+]1CCC[C@H]1CNCc1cc(Br)cc(OC)c1O ZINC000796522075 723641421 /nfs/dbraw/zinc/64/14/21/723641421.db2.gz KWCPZIFIUGGAOG-AWEZNQCLSA-N 1 2 357.292 3.127 20 10 FGCDLO CCC[N@H+]1CCC[C@H]1CNCc1cc(Br)cc(OC)c1O ZINC000796522075 723641424 /nfs/dbraw/zinc/64/14/24/723641424.db2.gz KWCPZIFIUGGAOG-AWEZNQCLSA-N 1 2 357.292 3.127 20 10 FGCDLO CCc1nc(CN2CC[NH+](Cc3ccc(N(C)C)c(F)c3)CC2)cs1 ZINC000769111435 723677098 /nfs/dbraw/zinc/67/70/98/723677098.db2.gz OTOTVEMUPRLCPK-UHFFFAOYSA-N 1 2 362.518 3.228 20 10 FGCDLO Cc1cc(N2CCC[C@H]([NH2+][C@H](C)c3cc(F)cc(F)c3O)C2)n(C)n1 ZINC000774451587 723896058 /nfs/dbraw/zinc/89/60/58/723896058.db2.gz AXYRCJIMPSBRCS-OCCSQVGLSA-N 1 2 350.413 3.032 20 10 FGCDLO COc1c(O)c(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)ccc1[N+](=O)[O-] ZINC000775035222 723954915 /nfs/dbraw/zinc/95/49/15/723954915.db2.gz XURGMYYCSIOGDS-UHFFFAOYSA-N 1 2 367.745 3.160 20 10 FGCDLO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3cc(Cl)cc(F)c3O)nc2c1 ZINC000775181564 723968940 /nfs/dbraw/zinc/96/89/40/723968940.db2.gz USSNLUZHWWDYRB-UHFFFAOYSA-N 1 2 350.737 3.259 20 10 FGCDLO CC[N@H+](CC(=O)NCc1ccc(F)cc1)Cc1cc(Cl)cc(F)c1O ZINC000775643445 724014335 /nfs/dbraw/zinc/01/43/35/724014335.db2.gz XVSWZWCFBFDWPC-UHFFFAOYSA-N 1 2 368.811 3.462 20 10 FGCDLO CC[N@@H+](CC(=O)NCc1ccc(F)cc1)Cc1cc(Cl)cc(F)c1O ZINC000775643445 724014341 /nfs/dbraw/zinc/01/43/41/724014341.db2.gz XVSWZWCFBFDWPC-UHFFFAOYSA-N 1 2 368.811 3.462 20 10 FGCDLO Cc1cc(Br)cc(C[N@H+](C)Cc2nnc3ccccn32)c1O ZINC000775667299 724019779 /nfs/dbraw/zinc/01/97/79/724019779.db2.gz HZALCMCWCJUANC-UHFFFAOYSA-N 1 2 361.243 3.138 20 10 FGCDLO Cc1cc(Br)cc(C[N@@H+](C)Cc2nnc3ccccn32)c1O ZINC000775667299 724019783 /nfs/dbraw/zinc/01/97/83/724019783.db2.gz HZALCMCWCJUANC-UHFFFAOYSA-N 1 2 361.243 3.138 20 10 FGCDLO COC(=O)[C@@](C)(C[NH2+]Cc1cc(Cl)cc(F)c1O)c1ccccc1 ZINC000787423396 725027992 /nfs/dbraw/zinc/02/79/92/725027992.db2.gz LSRRJEVULXAMTO-SFHVURJKSA-N 1 2 351.805 3.405 20 10 FGCDLO CCCS(=O)(=O)N1CCC([NH2+][C@@H](CC)c2cccc(Cl)c2O)CC1 ZINC000806131507 725117008 /nfs/dbraw/zinc/11/70/08/725117008.db2.gz KQIUMTRGPJFKHG-INIZCTEOSA-N 1 2 374.934 3.291 20 10 FGCDLO CCc1nsc(N2CCC[N@H+](Cc3cc(Cl)c(F)cc3O)CC2)n1 ZINC000816519503 727170888 /nfs/dbraw/zinc/17/08/88/727170888.db2.gz LUKMOMJTKIYDCO-UHFFFAOYSA-N 1 2 370.881 3.311 20 10 FGCDLO CCc1nsc(N2CCC[N@@H+](Cc3cc(Cl)c(F)cc3O)CC2)n1 ZINC000816519503 727170890 /nfs/dbraw/zinc/17/08/90/727170890.db2.gz LUKMOMJTKIYDCO-UHFFFAOYSA-N 1 2 370.881 3.311 20 10 FGCDLO COc1cc(O)c(C[N@@H+]2CC(C)(C)O[C@@](C)(C(F)(F)F)C2)cc1OC ZINC000816642714 727184408 /nfs/dbraw/zinc/18/44/08/727184408.db2.gz IKOVRHSQGAAOPK-MRXNPFEDSA-N 1 2 363.376 3.341 20 10 FGCDLO COc1cc(O)c(C[N@H+]2CC(C)(C)O[C@@](C)(C(F)(F)F)C2)cc1OC ZINC000816642714 727184410 /nfs/dbraw/zinc/18/44/10/727184410.db2.gz IKOVRHSQGAAOPK-MRXNPFEDSA-N 1 2 363.376 3.341 20 10 FGCDLO COc1ccc2c(c1)C[C@H](C(C)C)C[N@H+]2CC[C@H]1CCS(=O)(=O)C1 ZINC000817297754 727238103 /nfs/dbraw/zinc/23/81/03/727238103.db2.gz AFTLRVBLTHUKNG-RDJZCZTQSA-N 1 2 351.512 3.155 20 10 FGCDLO COc1ccc2c(c1)C[C@H](C(C)C)C[N@@H+]2CC[C@H]1CCS(=O)(=O)C1 ZINC000817297754 727238105 /nfs/dbraw/zinc/23/81/05/727238105.db2.gz AFTLRVBLTHUKNG-RDJZCZTQSA-N 1 2 351.512 3.155 20 10 FGCDLO O=C(Nc1nc(C[NH+]2CCCCCC2)cs1)c1c(F)ccc(O)c1O ZINC000824103272 729319629 /nfs/dbraw/zinc/31/96/29/729319629.db2.gz GUVLLNSZRMHRFM-UHFFFAOYSA-N 1 2 365.430 3.322 20 10 FGCDLO OC[C@]1(F)C[N@H+](Cc2cc(Cl)c(F)cc2O)C[C@H]1c1ccccc1 ZINC000824636530 729352196 /nfs/dbraw/zinc/35/21/96/729352196.db2.gz RSOVWRROCNDSFK-KBXCAEBGSA-N 1 2 353.796 3.485 20 10 FGCDLO OC[C@]1(F)C[N@@H+](Cc2cc(Cl)c(F)cc2O)C[C@H]1c1ccccc1 ZINC000824636530 729352198 /nfs/dbraw/zinc/35/21/98/729352198.db2.gz RSOVWRROCNDSFK-KBXCAEBGSA-N 1 2 353.796 3.485 20 10 FGCDLO CN(C)C(=O)C[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)c1ccccc1 ZINC000824926098 729365338 /nfs/dbraw/zinc/36/53/38/729365338.db2.gz JETYFAOEKIZJDA-INIZCTEOSA-N 1 2 350.821 3.494 20 10 FGCDLO COC(=O)[C@H]([NH2+]Cc1cc(Cl)c(C)cc1O)[C@H]1CCC[C@@H](OC)C1 ZINC000826143420 729405914 /nfs/dbraw/zinc/40/59/14/729405914.db2.gz ZDMRFWXPTFIFGE-DXCKQFNASA-N 1 2 355.862 3.190 20 10 FGCDLO Cc1cc(C(=O)C[N@H+]2CCOC[C@@H](C)C2)c(C)n1-c1ccc(Cl)cn1 ZINC000828487784 729443932 /nfs/dbraw/zinc/44/39/32/729443932.db2.gz KKUJTUQVNXTFGI-ZDUSSCGKSA-N 1 2 361.873 3.294 20 10 FGCDLO Cc1cc(C(=O)C[N@@H+]2CCOC[C@@H](C)C2)c(C)n1-c1ccc(Cl)cn1 ZINC000828487784 729443933 /nfs/dbraw/zinc/44/39/33/729443933.db2.gz KKUJTUQVNXTFGI-ZDUSSCGKSA-N 1 2 361.873 3.294 20 10 FGCDLO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](Cc2cccc(Cl)c2O)CCCO1 ZINC000835081585 729857217 /nfs/dbraw/zinc/85/72/17/729857217.db2.gz JUFMWQBYKXVPQY-CQSZACIVSA-N 1 2 370.877 3.161 20 10 FGCDLO CC(C)(C)OC(=O)NC[C@@H]1C[N@@H+](Cc2cccc(Cl)c2O)CCCO1 ZINC000835081585 729857220 /nfs/dbraw/zinc/85/72/20/729857220.db2.gz JUFMWQBYKXVPQY-CQSZACIVSA-N 1 2 370.877 3.161 20 10 FGCDLO CC(C)NC(=O)[C@H](C)[NH2+][C@H](C)c1cc(Br)cc(Cl)c1O ZINC000840888848 730188464 /nfs/dbraw/zinc/18/84/64/730188464.db2.gz DGRWTMYLWAFCFP-BDAKNGLRSA-N 1 2 363.683 3.372 20 10 FGCDLO Cc1cc(O)c(C[N@@H+]2CCN(C(=O)c3cscn3)[C@@H](C)C2)c(Cl)c1 ZINC000840952683 730196191 /nfs/dbraw/zinc/19/61/91/730196191.db2.gz FWJZWOVTPRDGPK-LBPRGKRZSA-N 1 2 365.886 3.157 20 10 FGCDLO Cc1cc(O)c(C[N@H+]2CCN(C(=O)c3cscn3)[C@@H](C)C2)c(Cl)c1 ZINC000840952683 730196194 /nfs/dbraw/zinc/19/61/94/730196194.db2.gz FWJZWOVTPRDGPK-LBPRGKRZSA-N 1 2 365.886 3.157 20 10 FGCDLO OC[C@@]1(C[NH2+]Cc2cccc(Br)c2O)CCc2ccccc21 ZINC000846010408 730918275 /nfs/dbraw/zinc/91/82/75/730918275.db2.gz GGQPWLPAEIVQHO-SFHVURJKSA-N 1 2 362.267 3.121 20 10 FGCDLO COc1cc(Br)cc(C[N@@H+]2C[C@@H](C)OCC23CCC3)c1O ZINC000846067023 730925131 /nfs/dbraw/zinc/92/51/31/730925131.db2.gz LTDUNAVPWBRMBZ-LLVKDONJSA-N 1 2 356.260 3.307 20 10 FGCDLO COc1cc(Br)cc(C[N@H+]2C[C@@H](C)OCC23CCC3)c1O ZINC000846067023 730925133 /nfs/dbraw/zinc/92/51/33/730925133.db2.gz LTDUNAVPWBRMBZ-LLVKDONJSA-N 1 2 356.260 3.307 20 10 FGCDLO CCc1nnc([C@@H](C)[N@H+](CC)Cc2cc(Br)ccc2O)[nH]1 ZINC000851792596 731498716 /nfs/dbraw/zinc/49/87/16/731498716.db2.gz MSBXDQLXRMUSDL-SNVBAGLBSA-N 1 2 353.264 3.418 20 10 FGCDLO CCc1nnc([C@@H](C)[N@@H+](CC)Cc2cc(Br)ccc2O)[nH]1 ZINC000851792596 731498719 /nfs/dbraw/zinc/49/87/19/731498719.db2.gz MSBXDQLXRMUSDL-SNVBAGLBSA-N 1 2 353.264 3.418 20 10 FGCDLO Cc1ccc2[nH+]c(CSCC(=O)N3Cc4cccc(O)c4C3)cn2c1 ZINC000871198625 733921526 /nfs/dbraw/zinc/92/15/26/733921526.db2.gz LBMCKTWCLFIGGB-UHFFFAOYSA-N 1 2 353.447 3.124 20 10 FGCDLO C[C@@H]([NH2+]CCC[C@@H]1CCOC1=O)c1cc(Br)cc(F)c1O ZINC000872112851 735589939 /nfs/dbraw/zinc/58/99/39/735589939.db2.gz LFTNOOQAQJAHEJ-NXEZZACHSA-N 1 2 360.223 3.288 20 10 FGCDLO Cc1ncc2c(n1)CC[C@H]([NH2+]Cc1cc(Br)cc(F)c1O)C2 ZINC000882887543 737501176 /nfs/dbraw/zinc/50/11/76/737501176.db2.gz XEYXZPHCRNTOQL-ZDUSSCGKSA-N 1 2 366.234 3.039 20 10 FGCDLO C[C@@H](CO[C@H]1CCOC1)[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000883034098 737514327 /nfs/dbraw/zinc/51/43/27/737514327.db2.gz LSKSKVUHRWLCQB-CABZTGNLSA-N 1 2 364.667 3.092 20 10 FGCDLO CCO/C=C\[C@@](O)(C[NH2+]Cc1cc(Cl)cc(F)c1O)C(F)(F)F ZINC000895709605 742444174 /nfs/dbraw/zinc/44/41/74/742444174.db2.gz HDBCQJFRKOPBTO-DHCBQETCSA-N 1 2 357.731 3.118 20 10 FGCDLO Cc1nc([C@H]2CC[N@H+](Cc3cc(Cl)cc(Br)c3O)C2)no1 ZINC000896229213 742518200 /nfs/dbraw/zinc/51/82/00/742518200.db2.gz ARDSOHLKEOZDPA-VIFPVBQESA-N 1 2 372.650 3.489 20 10 FGCDLO Cc1nc([C@H]2CC[N@@H+](Cc3cc(Cl)cc(Br)c3O)C2)no1 ZINC000896229213 742518204 /nfs/dbraw/zinc/51/82/04/742518204.db2.gz ARDSOHLKEOZDPA-VIFPVBQESA-N 1 2 372.650 3.489 20 10 FGCDLO COC(=O)c1cnc([C@@H]2CC[N@H+](Cc3cc(Cl)cc(F)c3O)C2)s1 ZINC000896968497 742624161 /nfs/dbraw/zinc/62/41/61/742624161.db2.gz AXKGTPQWBCPUAS-SECBINFHSA-N 1 2 370.833 3.417 20 10 FGCDLO COC(=O)c1cnc([C@@H]2CC[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)s1 ZINC000896968497 742624162 /nfs/dbraw/zinc/62/41/62/742624162.db2.gz AXKGTPQWBCPUAS-SECBINFHSA-N 1 2 370.833 3.417 20 10 FGCDLO C[C@@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@H]1n1cc[nH+]c1 ZINC000896980948 742626108 /nfs/dbraw/zinc/62/61/08/742626108.db2.gz PSWTYVBPKUAZRZ-DGCLKSJQSA-N 1 2 357.435 3.232 20 10 FGCDLO Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+]Cc1cccc(Cl)c1O ZINC000898218375 742760442 /nfs/dbraw/zinc/76/04/42/742760442.db2.gz FWYHPPIIFTTZRS-UHFFFAOYSA-N 1 2 365.861 3.100 20 10 FGCDLO Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]Cc1cccc(Cl)c1O ZINC000898220332 742760732 /nfs/dbraw/zinc/76/07/32/742760732.db2.gz YZVJKJVVZSEEIL-UHFFFAOYSA-N 1 2 363.767 3.318 20 10 FGCDLO Oc1c(Br)cccc1C[NH2+]C[C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC000922530812 758944564 /nfs/dbraw/zinc/94/45/64/758944564.db2.gz MZTFEDLJSIUKOX-RZDIXWSQSA-N 1 2 362.267 3.337 20 10 FGCDLO CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000076078827 493818403 /nfs/dbraw/zinc/81/84/03/493818403.db2.gz HFQOZEOLIZDKST-QGZVFWFLSA-N 1 2 355.486 3.345 20 10 FGCDLO CN(C)c1ccc(CN(C)C(=O)NCc2ccc(N3CCCC3)[nH+]c2)cc1 ZINC000045657126 494449164 /nfs/dbraw/zinc/44/91/64/494449164.db2.gz DKARPSRGPAPZAK-UHFFFAOYSA-N 1 2 367.497 3.089 20 10 FGCDLO COc1ccc(N2CC[NH+]([C@H](C)c3nc(-c4cccnc4)no3)CC2)cc1 ZINC000075476830 494774190 /nfs/dbraw/zinc/77/41/90/494774190.db2.gz WBPZNYAMBPXXGX-OAHLLOKOSA-N 1 2 365.437 3.023 20 10 FGCDLO C[C@H](c1cccc(NC(=O)NCc2ccccc2O)c1)[NH+]1CCOCC1 ZINC000264275823 496859371 /nfs/dbraw/zinc/85/93/71/496859371.db2.gz VQMKRODJJZAEDS-OAHLLOKOSA-N 1 2 355.438 3.107 20 10 FGCDLO COc1c(O)c(C[N@@H+]2CCO[C@@H](c3cccc(F)c3)C2)ccc1[N+](=O)[O-] ZINC000278166148 497025742 /nfs/dbraw/zinc/02/57/42/497025742.db2.gz FGNUTHXILIFFNC-MRXNPFEDSA-N 1 2 362.357 3.022 20 10 FGCDLO COc1c(O)c(C[N@H+]2CCO[C@@H](c3cccc(F)c3)C2)ccc1[N+](=O)[O-] ZINC000278166148 497025745 /nfs/dbraw/zinc/02/57/45/497025745.db2.gz FGNUTHXILIFFNC-MRXNPFEDSA-N 1 2 362.357 3.022 20 10 FGCDLO C[C@H](O)CCC[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000278837492 497238281 /nfs/dbraw/zinc/23/82/81/497238281.db2.gz AOIXCGFRCLMHDF-QMMMGPOBSA-N 1 2 367.081 3.168 20 10 FGCDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)Cc2ccc(N)cc2)C[C@H](C)O1 ZINC000237625177 497265288 /nfs/dbraw/zinc/26/52/88/497265288.db2.gz UQLSUWDTYSIAOT-IYBDPMFKSA-N 1 2 353.466 3.059 20 10 FGCDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)Cc2ccc(N)cc2)C[C@H](C)O1 ZINC000237625177 497265293 /nfs/dbraw/zinc/26/52/93/497265293.db2.gz UQLSUWDTYSIAOT-IYBDPMFKSA-N 1 2 353.466 3.059 20 10 FGCDLO CO[C@H]1C[C@@H](c2nc(C)no2)[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000190147231 497375677 /nfs/dbraw/zinc/37/56/77/497375677.db2.gz UJPJZVIKEDHWND-OALUTQOASA-N 1 2 356.470 3.330 20 10 FGCDLO CO[C@H]1C[C@@H](c2nc(C)no2)[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000190147231 497375680 /nfs/dbraw/zinc/37/56/80/497375680.db2.gz UJPJZVIKEDHWND-OALUTQOASA-N 1 2 356.470 3.330 20 10 FGCDLO C[C@@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)c1ccc(F)c(F)c1O ZINC000191196390 497740994 /nfs/dbraw/zinc/74/09/94/497740994.db2.gz JIGMJRAEHUHCJJ-LLVKDONJSA-N 1 2 350.365 3.219 20 10 FGCDLO Cc1cc(Br)cc(C[N@@H+]2CCOC[C@@H]2CC(F)F)c1O ZINC000289718894 498261996 /nfs/dbraw/zinc/26/19/96/498261996.db2.gz PFBKTFVIEIUILD-LBPRGKRZSA-N 1 2 350.203 3.319 20 10 FGCDLO Cc1cc(Br)cc(C[N@H+]2CCOC[C@@H]2CC(F)F)c1O ZINC000289718894 498262000 /nfs/dbraw/zinc/26/20/00/498262000.db2.gz PFBKTFVIEIUILD-LBPRGKRZSA-N 1 2 350.203 3.319 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)[C@H]3CCO[C@@H]3C(C)C)CC2)cc1 ZINC000365037737 498266905 /nfs/dbraw/zinc/26/69/05/498266905.db2.gz BEYLVVHDRTWONJ-VQTJNVASSA-N 1 2 360.498 3.184 20 10 FGCDLO CN(C)c1ccc(C[NH2+]Cc2ncnn2C(C)(C)C)c(C(F)(F)F)c1 ZINC000282687434 498613555 /nfs/dbraw/zinc/61/35/55/498613555.db2.gz NWAJQHRXVWDQJT-UHFFFAOYSA-N 1 2 355.408 3.408 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)Nc3ccc(F)cn3)CC2)cc1 ZINC000363734539 498965507 /nfs/dbraw/zinc/96/55/07/498965507.db2.gz IEKKFEPLGXNPAY-UHFFFAOYSA-N 1 2 358.417 3.362 20 10 FGCDLO CC[C@@H]([NH2+][C@H]1CCN(C(=O)c2cccnc2)C1)c1cccc(Cl)c1O ZINC000367894942 499242638 /nfs/dbraw/zinc/24/26/38/499242638.db2.gz GJKRQGASGDGHQX-WMLDXEAASA-N 1 2 359.857 3.396 20 10 FGCDLO CC[C@@H]([NH2+][C@H]1CCN(C(=O)c2ccncc2)C1)c1cccc(Cl)c1O ZINC000367897045 499243034 /nfs/dbraw/zinc/24/30/34/499243034.db2.gz QOQCJQDHLJZAAX-WMLDXEAASA-N 1 2 359.857 3.396 20 10 FGCDLO Cc1c2ccccc2n(C)c1CNC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000492331646 503365001 /nfs/dbraw/zinc/36/50/01/503365001.db2.gz SWMVPDJJJPVFFY-UHFFFAOYSA-N 1 2 374.448 3.448 20 10 FGCDLO Oc1cccc([C@@H]2C[N@H+](Cc3cc(Br)ccc3O)CCO2)c1 ZINC000093457496 700451711 /nfs/dbraw/zinc/45/17/11/700451711.db2.gz UUCFSGBKVMEGKF-KRWDZBQOSA-N 1 2 364.239 3.434 20 10 FGCDLO Oc1cccc([C@@H]2C[N@@H+](Cc3cc(Br)ccc3O)CCO2)c1 ZINC000093457496 700451713 /nfs/dbraw/zinc/45/17/13/700451713.db2.gz UUCFSGBKVMEGKF-KRWDZBQOSA-N 1 2 364.239 3.434 20 10 FGCDLO Oc1c(Br)cccc1C[N@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000123720499 700709189 /nfs/dbraw/zinc/70/91/89/700709189.db2.gz VLMGEUBWVSAOPO-JQWIXIFHSA-N 1 2 354.166 3.042 20 10 FGCDLO Oc1c(Br)cccc1C[N@@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000123720499 700709191 /nfs/dbraw/zinc/70/91/91/700709191.db2.gz VLMGEUBWVSAOPO-JQWIXIFHSA-N 1 2 354.166 3.042 20 10 FGCDLO C[C@@H]1CCN(C(=O)NCCCSc2nccs2)C[C@@H]1n1cc[nH+]c1 ZINC000154571835 705040054 /nfs/dbraw/zinc/04/00/54/705040054.db2.gz XNJROMDEMGRZCW-KGLIPLIRSA-N 1 2 365.528 3.115 20 10 FGCDLO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]Cc1cccc(Br)c1O ZINC000779431877 724413199 /nfs/dbraw/zinc/41/31/99/724413199.db2.gz GSPDHSXRUFYXJJ-WBMJQRKESA-N 1 2 356.260 3.366 20 10 FGCDLO CC[C@H](C)NC(=O)CC[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000756454532 722964951 /nfs/dbraw/zinc/96/49/51/722964951.db2.gz GCRGCZDVKZFXFW-UWVGGRQHSA-N 1 2 361.255 3.249 20 10 FGCDLO C[C@@H]([NH2+]CCNc1ccccn1)c1cc(Br)cc(F)c1O ZINC000756604886 722967615 /nfs/dbraw/zinc/96/76/15/722967615.db2.gz HCSYFQHZFBSJKI-SNVBAGLBSA-N 1 2 354.223 3.452 20 10 FGCDLO C[C@H]([NH2+]CCCNc1ncccn1)c1cc(Br)cc(F)c1O ZINC000756642668 722968103 /nfs/dbraw/zinc/96/81/03/722968103.db2.gz QBSRGTUDQIJPHA-JTQLQIEISA-N 1 2 369.238 3.237 20 10 FGCDLO C[C@H]([NH2+][C@H]1CCc2c[nH]nc2C1)c1cc(Br)c(F)cc1O ZINC000756647832 722968167 /nfs/dbraw/zinc/96/81/67/722968167.db2.gz VPMJGSVWNODCAJ-WPRPVWTQSA-N 1 2 354.223 3.225 20 10 FGCDLO CCc1nnc([C@H](C)[NH2+][C@@H](C)c2cc(Br)c(F)cc2O)[nH]1 ZINC000756779209 722969964 /nfs/dbraw/zinc/96/99/64/722969964.db2.gz RAOQPSPQKXRYNN-YUMQZZPRSA-N 1 2 357.227 3.386 20 10 FGCDLO C[NH+](C)Cc1ccc(S(=O)(=O)Nc2nc(-c3cccnc3)cs2)cc1 ZINC000789727289 723069100 /nfs/dbraw/zinc/06/91/00/723069100.db2.gz KMYPTHFQXVXMTO-UHFFFAOYSA-N 1 2 374.491 3.068 20 10 FGCDLO CN(C)c1ccc(C[N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)c(C(F)(F)F)c1 ZINC000792839953 723373329 /nfs/dbraw/zinc/37/33/29/723373329.db2.gz RACNMZQTHAMIES-IRXDYDNUSA-N 1 2 358.404 3.151 20 10 FGCDLO CN(C)c1ccc(C[N@H+]2CCO[C@H]([C@@H]3CCCO3)C2)c(C(F)(F)F)c1 ZINC000792839953 723373332 /nfs/dbraw/zinc/37/33/32/723373332.db2.gz RACNMZQTHAMIES-IRXDYDNUSA-N 1 2 358.404 3.151 20 10 FGCDLO CC[N@H+](CC(=O)Nc1c(F)cccc1F)Cc1c(O)cccc1OC ZINC000768164210 723648973 /nfs/dbraw/zinc/64/89/73/723648973.db2.gz XXSABUVMUWZBSW-UHFFFAOYSA-N 1 2 350.365 3.140 20 10 FGCDLO CC[N@@H+](CC(=O)Nc1c(F)cccc1F)Cc1c(O)cccc1OC ZINC000768164210 723648975 /nfs/dbraw/zinc/64/89/75/723648975.db2.gz XXSABUVMUWZBSW-UHFFFAOYSA-N 1 2 350.365 3.140 20 10 FGCDLO C[C@@H]1C[C@]2(CCO1)C[N@@H+](Cc1cccc(Br)c1O)C[C@H](C)O2 ZINC000797605684 723841720 /nfs/dbraw/zinc/84/17/20/723841720.db2.gz UPXAEMNPRMDXFS-IIYDPXPESA-N 1 2 370.287 3.313 20 10 FGCDLO C[C@@H]1C[C@]2(CCO1)C[N@H+](Cc1cccc(Br)c1O)C[C@H](C)O2 ZINC000797605684 723841725 /nfs/dbraw/zinc/84/17/25/723841725.db2.gz UPXAEMNPRMDXFS-IIYDPXPESA-N 1 2 370.287 3.313 20 10 FGCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000775680337 724023599 /nfs/dbraw/zinc/02/35/99/724023599.db2.gz AUBVASFRKQRLBR-NSHDSACASA-N 1 2 350.825 3.102 20 10 FGCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000775680337 724023602 /nfs/dbraw/zinc/02/36/02/724023602.db2.gz AUBVASFRKQRLBR-NSHDSACASA-N 1 2 350.825 3.102 20 10 FGCDLO CO[C@H](C)c1noc(C[N@H+](C)Cc2cc(Br)cc(C)c2O)n1 ZINC000775737674 724035172 /nfs/dbraw/zinc/03/51/72/724035172.db2.gz YOPYRFVROWKCQR-SNVBAGLBSA-N 1 2 370.247 3.186 20 10 FGCDLO CO[C@H](C)c1noc(C[N@@H+](C)Cc2cc(Br)cc(C)c2O)n1 ZINC000775737674 724035177 /nfs/dbraw/zinc/03/51/77/724035177.db2.gz YOPYRFVROWKCQR-SNVBAGLBSA-N 1 2 370.247 3.186 20 10 FGCDLO C[C@H]1CCCN(c2ccc(CNC(=O)CCn3cc[nH+]c3)cc2Cl)C1 ZINC000800049481 724136037 /nfs/dbraw/zinc/13/60/37/724136037.db2.gz OYPJTJUEIQKEQB-HNNXBMFYSA-N 1 2 360.889 3.479 20 10 FGCDLO C[C@H](Nc1ccc(N(C)CCO)c[nH+]1)c1cccc(C(F)(F)F)c1O ZINC000788702197 725082082 /nfs/dbraw/zinc/08/20/82/725082082.db2.gz HIFWJSNCJVMKIX-NSHDSACASA-N 1 2 355.360 3.408 20 10 FGCDLO CC[C@H]([NH2+]Cc1cccc(OCC(=O)NC)c1)c1cccc(Cl)c1O ZINC000806130989 725117030 /nfs/dbraw/zinc/11/70/30/725117030.db2.gz FWFAQHXYNIZINF-KRWDZBQOSA-N 1 2 362.857 3.411 20 10 FGCDLO COc1ccc(C(=O)N2CC[NH+](Cc3c(O)cccc3Cl)CC2)cc1 ZINC000809734013 725263569 /nfs/dbraw/zinc/26/35/69/725263569.db2.gz QKVAVYXLTLNHKV-UHFFFAOYSA-N 1 2 360.841 3.012 20 10 FGCDLO O=C(NCc1cc(Cl)cc(Cl)c1O)c1cc(C[NH+]2CCCC2)on1 ZINC000812576024 725400246 /nfs/dbraw/zinc/40/02/46/725400246.db2.gz QYGJSOOFRYLLBH-UHFFFAOYSA-N 1 2 370.236 3.213 20 10 FGCDLO CCCN1C[C@H](C[NH2+][C@@H](C)c2cc(Br)cc(F)c2O)CC1=O ZINC000817587949 727268658 /nfs/dbraw/zinc/26/86/58/727268658.db2.gz ALPQAWYWPAMQCS-QWRGUYRKSA-N 1 2 373.266 3.203 20 10 FGCDLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2cccc(Br)c2O)s1 ZINC000818232337 727302640 /nfs/dbraw/zinc/30/26/40/727302640.db2.gz ZXNGDYKHKCDJSI-QMMMGPOBSA-N 1 2 371.256 3.249 20 10 FGCDLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2cc(Cl)cc(C(C)=O)c2O)s1 ZINC000823455671 729282108 /nfs/dbraw/zinc/28/21/08/729282108.db2.gz LOTZKNVIQQIVSC-MRVPVSSYSA-N 1 2 368.842 3.342 20 10 FGCDLO C[C@H]([NH2+][C@H]1C[C@@H]2CCCCN2C1=O)c1cc(Br)cc(F)c1O ZINC000834916361 729845980 /nfs/dbraw/zinc/84/59/80/729845980.db2.gz WOTJIKNSZRCPOS-CHIMOYNISA-N 1 2 371.250 3.098 20 10 FGCDLO CN(C)c1ccc(/C=C\C[N@H+](C)Cc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000835025487 729850651 /nfs/dbraw/zinc/85/06/51/729850651.db2.gz GYZOGCIOEPRZPB-WAYWQWQTSA-N 1 2 358.507 3.301 20 10 FGCDLO CN(C)c1ccc(/C=C\C[N@@H+](C)Cc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000835025487 729850654 /nfs/dbraw/zinc/85/06/54/729850654.db2.gz GYZOGCIOEPRZPB-WAYWQWQTSA-N 1 2 358.507 3.301 20 10 FGCDLO C[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)cc(Br)c2O)CO1 ZINC000843433452 730620511 /nfs/dbraw/zinc/62/05/11/730620511.db2.gz ZZGSOJGKIGKMFP-GMSGAONNSA-N 1 2 365.065 3.184 20 10 FGCDLO CCN(Cc1cc(Br)ccc1O)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845805604 730897470 /nfs/dbraw/zinc/89/74/70/730897470.db2.gz FKTDIJRHPMDTOU-GFCCVEGCSA-N 1 2 366.259 3.351 20 10 FGCDLO CC[C@H]([NH2+]Cc1nnn(C(C)(C)C)n1)c1cc(Br)ccc1O ZINC000848560849 731181814 /nfs/dbraw/zinc/18/18/14/731181814.db2.gz MDRSVRSYFPDFID-LBPRGKRZSA-N 1 2 368.279 3.137 20 10 FGCDLO C[C@H]([NH2+][C@@H]1C[C@H](C)n2ncnc21)c1cc(Br)c(F)cc1O ZINC000850498876 731364880 /nfs/dbraw/zinc/36/48/80/731364880.db2.gz FEURDYSQOUUHDE-YVZVNANGSA-N 1 2 355.211 3.242 20 10 FGCDLO C[C@H]([NH2+]Cc1nc(C(N)=O)cs1)c1ccc(N2CCCCCC2)cc1 ZINC000850541501 731371292 /nfs/dbraw/zinc/37/12/92/731371292.db2.gz WUBZKZZDHUVIQF-AWEZNQCLSA-N 1 2 358.511 3.473 20 10 FGCDLO CSCC[C@@H]([NH2+]Cc1ccc(F)c(F)c1O)c1nnc2ccccn21 ZINC000876902169 736160569 /nfs/dbraw/zinc/16/05/69/736160569.db2.gz APRCKBFWFUJQQD-CYBMUJFWSA-N 1 2 364.421 3.297 20 10 FGCDLO CSCC[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)c1nnc2ccccn21 ZINC000882881400 737500195 /nfs/dbraw/zinc/50/01/95/737500195.db2.gz LKGIKEKWONORDE-CQSZACIVSA-N 1 2 364.421 3.297 20 10 FGCDLO CCN(CC)c1ccc(C[NH2+]Cc2ncc(C(=O)OC)s2)cc1F ZINC000894251876 742258486 /nfs/dbraw/zinc/25/84/86/742258486.db2.gz ANJLVCJZRLDZBG-UHFFFAOYSA-N 1 2 351.447 3.205 20 10 FGCDLO CCS(=O)(=O)c1ccccc1CC[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000896817209 742604035 /nfs/dbraw/zinc/60/40/35/742604035.db2.gz QRTKBNMROQLINK-UHFFFAOYSA-N 1 2 371.861 3.311 20 10 FGCDLO Oc1c(Br)cc(Cl)cc1C[NH2+]Cc1cnn(CCF)c1 ZINC000897728271 742708186 /nfs/dbraw/zinc/70/81/86/742708186.db2.gz CCTDPKJSLBBUPK-UHFFFAOYSA-N 1 2 362.630 3.264 20 10 FGCDLO Cn1ncc(NC(=O)OC(C)(C)C)c1C[NH2+]Cc1cccc(Cl)c1O ZINC000898215035 742759484 /nfs/dbraw/zinc/75/94/84/742759484.db2.gz JHXOPKNSZMFJON-UHFFFAOYSA-N 1 2 366.849 3.416 20 10 FGCDLO C[C@@H]([NH2+][C@@H]1CCOC12CCOCC2)c1cc(Br)cc(F)c1O ZINC000903388089 743843440 /nfs/dbraw/zinc/84/34/40/743843440.db2.gz BOHJAMNZEJEIIV-QMTHXVAHSA-N 1 2 374.250 3.283 20 10 FGCDLO Cc1cc(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(C)n1-c1ccccn1 ZINC000125369657 495433542 /nfs/dbraw/zinc/43/35/42/495433542.db2.gz ZGAMVQQSXLZGKT-HNAYVOBHSA-N 1 2 363.465 3.409 20 10 FGCDLO Cc1cc(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(C)n1-c1ccccn1 ZINC000125370352 495433873 /nfs/dbraw/zinc/43/38/73/495433873.db2.gz ZGAMVQQSXLZGKT-BEFAXECRSA-N 1 2 363.465 3.409 20 10 FGCDLO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177751873 496182274 /nfs/dbraw/zinc/18/22/74/496182274.db2.gz DRUCDMSFHOMAGW-UHFFFAOYSA-N 1 2 351.454 3.132 20 10 FGCDLO CC(=O)Nc1cccc(OCC[NH2+][C@H](C)c2ccc(F)c(F)c2O)c1 ZINC000187773604 496566616 /nfs/dbraw/zinc/56/66/16/496566616.db2.gz LQUICLUOQGLCBW-LLVKDONJSA-N 1 2 350.365 3.358 20 10 FGCDLO Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3ccc(F)c(F)c3O)C2)n(C)n1 ZINC000278162867 497024462 /nfs/dbraw/zinc/02/44/62/497024462.db2.gz AMUMBVRJBYPRKL-STQMWFEESA-N 1 2 350.413 3.032 20 10 FGCDLO CCN(CC)c1ccc(C[N@@H+]2C[C@@H](OC)C[C@H]2c2nc(C)no2)cc1F ZINC000248823844 497110547 /nfs/dbraw/zinc/11/05/47/497110547.db2.gz FZDZVVZJLXTWOP-YJBOKZPZSA-N 1 2 362.449 3.325 20 10 FGCDLO CCN(CC)c1ccc(C[N@H+]2C[C@@H](OC)C[C@H]2c2nc(C)no2)cc1F ZINC000248823844 497110552 /nfs/dbraw/zinc/11/05/52/497110552.db2.gz FZDZVVZJLXTWOP-YJBOKZPZSA-N 1 2 362.449 3.325 20 10 FGCDLO COC(=O)c1nc([C@@H]2CCC[N@@H+]2Cc2cc(F)ccc2O)sc1C ZINC000279705353 497515767 /nfs/dbraw/zinc/51/57/67/497515767.db2.gz RTDRJVVGAVPWTJ-ZDUSSCGKSA-N 1 2 350.415 3.420 20 10 FGCDLO COC(=O)c1nc([C@@H]2CCC[N@H+]2Cc2cc(F)ccc2O)sc1C ZINC000279705353 497515771 /nfs/dbraw/zinc/51/57/71/497515771.db2.gz RTDRJVVGAVPWTJ-ZDUSSCGKSA-N 1 2 350.415 3.420 20 10 FGCDLO COc1ccc(N2CCC(Nc3cc(NCC4CC4)[nH+]cn3)CC2)cc1 ZINC000301261170 498026663 /nfs/dbraw/zinc/02/66/63/498026663.db2.gz DAMWWBXIQTXGSP-UHFFFAOYSA-N 1 2 353.470 3.388 20 10 FGCDLO COc1ccc(N2CCC(Nc3cc(NCC4CC4)nc[nH+]3)CC2)cc1 ZINC000301261170 498026669 /nfs/dbraw/zinc/02/66/69/498026669.db2.gz DAMWWBXIQTXGSP-UHFFFAOYSA-N 1 2 353.470 3.388 20 10 FGCDLO CC[N@H+](Cc1cn(C(C)C)nn1)Cc1cc(Br)ccc1O ZINC000289340341 498111208 /nfs/dbraw/zinc/11/12/08/498111208.db2.gz WANZCMOUNLOVAM-UHFFFAOYSA-N 1 2 353.264 3.349 20 10 FGCDLO CC[N@@H+](Cc1cn(C(C)C)nn1)Cc1cc(Br)ccc1O ZINC000289340341 498111215 /nfs/dbraw/zinc/11/12/15/498111215.db2.gz WANZCMOUNLOVAM-UHFFFAOYSA-N 1 2 353.264 3.349 20 10 FGCDLO COc1ccc([NH+]2CCC(Nc3ccc4nnc(C(F)F)n4n3)CC2)cc1 ZINC000301684563 498222768 /nfs/dbraw/zinc/22/27/68/498222768.db2.gz KWCHQTMRPRQOSL-UHFFFAOYSA-N 1 2 374.395 3.151 20 10 FGCDLO CC(C)(C)n1ncc2c1nc[nH+]c2NCc1ccc(N2CCOCC2)cc1 ZINC000301834572 498285081 /nfs/dbraw/zinc/28/50/81/498285081.db2.gz KMDQOLYPDFCHBN-UHFFFAOYSA-N 1 2 366.469 3.030 20 10 FGCDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)NCc2ccc3c(c2)CCCN3C)CC1(C)C ZINC000297180255 498346200 /nfs/dbraw/zinc/34/62/00/498346200.db2.gz KIXGYHFAFOUEOJ-SFHVURJKSA-N 1 2 367.497 3.095 20 10 FGCDLO C[C@H]([NH2+]CCc1cnc2c(Cl)cnn2c1)c1ccc(F)c(F)c1O ZINC000297322856 498404929 /nfs/dbraw/zinc/40/49/29/498404929.db2.gz NLKFVVQYHAFLEM-VIFPVBQESA-N 1 2 352.772 3.260 20 10 FGCDLO CCOCc1nc([C@@H](C)[NH2+][C@H](C)c2ccc(Br)cc2O)no1 ZINC000290279556 498494414 /nfs/dbraw/zinc/49/44/14/498494414.db2.gz XAOSWAPZTFHMGJ-NXEZZACHSA-N 1 2 370.247 3.486 20 10 FGCDLO Cc1[nH+]cc2n1CC[C@@H](C(=O)NCc1cc(Cl)cc(Cl)c1O)C2 ZINC000365609867 498557484 /nfs/dbraw/zinc/55/74/84/498557484.db2.gz OUOGXSUQIQONHP-SNVBAGLBSA-N 1 2 354.237 3.083 20 10 FGCDLO CCOC(=O)c1cnn(C2CC[NH+](Cc3cccc(Cl)c3O)CC2)c1 ZINC000294765484 498797404 /nfs/dbraw/zinc/79/74/04/498797404.db2.gz JMZQDIDDKQDNLJ-UHFFFAOYSA-N 1 2 363.845 3.256 20 10 FGCDLO OCCn1ncc2c1CCC[C@H]2[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000319967524 498804112 /nfs/dbraw/zinc/80/41/12/498804112.db2.gz VZXZTJVFEDQROT-CQSZACIVSA-N 1 2 356.253 3.055 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)Nc3ccc(OC)nc3)CC2)cc1 ZINC000363452093 498828133 /nfs/dbraw/zinc/82/81/33/498828133.db2.gz ANWHAGUBJKMWHP-UHFFFAOYSA-N 1 2 370.453 3.232 20 10 FGCDLO CCCNC(=O)CN1CCC([NH2+][C@@H](CC)c2cccc(Cl)c2O)CC1 ZINC000287870304 498888039 /nfs/dbraw/zinc/88/80/39/498888039.db2.gz XWJRIMWUBADYPO-KRWDZBQOSA-N 1 2 367.921 3.077 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2CCS(C)(=O)=O)c1O ZINC000366374046 498899177 /nfs/dbraw/zinc/89/91/77/498899177.db2.gz GZQUGCUNTYIQRW-OAHLLOKOSA-N 1 2 373.902 3.037 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2CCS(C)(=O)=O)c1O ZINC000366374046 498899186 /nfs/dbraw/zinc/89/91/86/498899186.db2.gz GZQUGCUNTYIQRW-OAHLLOKOSA-N 1 2 373.902 3.037 20 10 FGCDLO CC[NH+](CC)CC(=O)Nc1cccc(NCc2cc([N+](=O)[O-])ccc2O)c1 ZINC000288379594 499009611 /nfs/dbraw/zinc/00/96/11/499009611.db2.gz FVOMFRIBCUXRQW-UHFFFAOYSA-N 1 2 372.425 3.193 20 10 FGCDLO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1)c1cc(Br)cc(F)c1O ZINC000375302507 499504954 /nfs/dbraw/zinc/50/49/54/499504954.db2.gz KVTMZNKLEZDXOI-ZXCZTKLOSA-N 1 2 371.250 3.002 20 10 FGCDLO CSCC[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000132553742 700828767 /nfs/dbraw/zinc/82/87/67/700828767.db2.gz HKIASUBMXBIZLV-UHFFFAOYSA-N 1 2 355.095 3.370 20 10 FGCDLO C[C@H]1CCN(C(=O)NCCCSc2nccs2)C[C@H]1n1cc[nH+]c1 ZINC000154572170 705039840 /nfs/dbraw/zinc/03/98/40/705039840.db2.gz XNJROMDEMGRZCW-UONOGXRCSA-N 1 2 365.528 3.115 20 10 FGCDLO CCN(Cc1ccccc1)c1ccc(C[N@H+](C)CCS(C)(=O)=O)cc1 ZINC000155148045 705065391 /nfs/dbraw/zinc/06/53/91/705065391.db2.gz PEPQVXFWIQBFMP-UHFFFAOYSA-N 1 2 360.523 3.190 20 10 FGCDLO CCN(Cc1ccccc1)c1ccc(C[N@@H+](C)CCS(C)(=O)=O)cc1 ZINC000155148045 705065395 /nfs/dbraw/zinc/06/53/95/705065395.db2.gz PEPQVXFWIQBFMP-UHFFFAOYSA-N 1 2 360.523 3.190 20 10 FGCDLO Oc1c(Br)cccc1C[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000780892480 724512105 /nfs/dbraw/zinc/51/21/05/724512105.db2.gz GRRNMHWSGNHRFS-UHFFFAOYSA-N 1 2 354.166 3.044 20 10 FGCDLO C[C@@H]1C[N@H+](Cc2c(O)cccc2Br)C[C@](C)(C(F)F)O1 ZINC000707167328 722412107 /nfs/dbraw/zinc/41/21/07/722412107.db2.gz XPQXPVCTXRCYIU-YMTOWFKASA-N 1 2 350.203 3.399 20 10 FGCDLO C[C@@H]1C[N@@H+](Cc2c(O)cccc2Br)C[C@](C)(C(F)F)O1 ZINC000707167328 722412108 /nfs/dbraw/zinc/41/21/08/722412108.db2.gz XPQXPVCTXRCYIU-YMTOWFKASA-N 1 2 350.203 3.399 20 10 FGCDLO C[C@@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)c1cc(Br)c(F)cc1O ZINC000756647828 722968178 /nfs/dbraw/zinc/96/81/78/722968178.db2.gz VPMJGSVWNODCAJ-PSASIEDQSA-N 1 2 354.223 3.225 20 10 FGCDLO C[C@@H]([NH2+]C[C@H](CO)Cc1ccco1)c1cc(Br)cc(F)c1O ZINC000756659338 722968377 /nfs/dbraw/zinc/96/83/77/722968377.db2.gz DKGYZWDFZKUZCP-GHMZBOCLSA-N 1 2 372.234 3.389 20 10 FGCDLO Cc1noc(CCC[NH2+][C@H](C)c2cc(Br)cc(F)c2O)n1 ZINC000756683461 722968700 /nfs/dbraw/zinc/96/87/00/722968700.db2.gz HXBJRDKNPXRHDE-MRVPVSSYSA-N 1 2 358.211 3.269 20 10 FGCDLO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C(F)(F)C(F)F ZINC000761982547 723203684 /nfs/dbraw/zinc/20/36/84/723203684.db2.gz MYAQJSQTYQRESZ-NSHDSACASA-N 1 2 368.758 3.027 20 10 FGCDLO O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C(F)(F)C(F)F ZINC000761982547 723203687 /nfs/dbraw/zinc/20/36/87/723203687.db2.gz MYAQJSQTYQRESZ-NSHDSACASA-N 1 2 368.758 3.027 20 10 FGCDLO Cc1cc(Br)c([O-])c(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c1 ZINC000762484181 723247515 /nfs/dbraw/zinc/24/75/15/723247515.db2.gz UVUHCGMKVGVFOF-CQSZACIVSA-N 1 2 371.319 3.054 20 10 FGCDLO Cc1cc(Br)c([O-])c(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c1 ZINC000762484181 723247517 /nfs/dbraw/zinc/24/75/17/723247517.db2.gz UVUHCGMKVGVFOF-CQSZACIVSA-N 1 2 371.319 3.054 20 10 FGCDLO Oc1ccc(Cl)c(F)c1C[N@@H+]1CCCN(c2ncccc2F)CC1 ZINC000792180717 723318956 /nfs/dbraw/zinc/31/89/56/723318956.db2.gz SLUXFPSGTWJLNO-UHFFFAOYSA-N 1 2 353.800 3.431 20 10 FGCDLO Oc1ccc(Cl)c(F)c1C[N@H+]1CCCN(c2ncccc2F)CC1 ZINC000792180717 723318959 /nfs/dbraw/zinc/31/89/59/723318959.db2.gz SLUXFPSGTWJLNO-UHFFFAOYSA-N 1 2 353.800 3.431 20 10 FGCDLO CCS(=O)(=O)C[C@@H](C)[N@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792821228 723371498 /nfs/dbraw/zinc/37/14/98/723371498.db2.gz BZWRAOILZMDOIP-GFCCVEGCSA-N 1 2 366.449 3.026 20 10 FGCDLO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792821228 723371500 /nfs/dbraw/zinc/37/15/00/723371500.db2.gz BZWRAOILZMDOIP-GFCCVEGCSA-N 1 2 366.449 3.026 20 10 FGCDLO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)CCO1 ZINC000770355469 723711778 /nfs/dbraw/zinc/71/17/78/723711778.db2.gz XFVLIABKJUAZBY-WBMJQRKESA-N 1 2 370.877 3.160 20 10 FGCDLO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1C[N@@H+](Cc2c(O)cccc2Cl)CCO1 ZINC000770355469 723711779 /nfs/dbraw/zinc/71/17/79/723711779.db2.gz XFVLIABKJUAZBY-WBMJQRKESA-N 1 2 370.877 3.160 20 10 FGCDLO O=C(C1CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1)N1CCCCC1 ZINC000775646886 724015452 /nfs/dbraw/zinc/01/54/52/724015452.db2.gz PJRHQCWYZVNLHL-UHFFFAOYSA-N 1 2 354.853 3.409 20 10 FGCDLO Cc1cc(Cl)cc(C[NH+]2CCN(C(=O)c3cccc(F)c3)CC2)c1O ZINC000775649379 724015978 /nfs/dbraw/zinc/01/59/78/724015978.db2.gz PSILYODTDINPGD-UHFFFAOYSA-N 1 2 362.832 3.451 20 10 FGCDLO CO[C@@H](C)c1noc(C[N@H+](C)Cc2cc(Br)cc(C)c2O)n1 ZINC000775737673 724035084 /nfs/dbraw/zinc/03/50/84/724035084.db2.gz YOPYRFVROWKCQR-JTQLQIEISA-N 1 2 370.247 3.186 20 10 FGCDLO CO[C@@H](C)c1noc(C[N@@H+](C)Cc2cc(Br)cc(C)c2O)n1 ZINC000775737673 724035091 /nfs/dbraw/zinc/03/50/91/724035091.db2.gz YOPYRFVROWKCQR-JTQLQIEISA-N 1 2 370.247 3.186 20 10 FGCDLO C[C@@H]1CCCN(c2ccc(CNC(=O)Cc3c[nH+]cn3C)cc2Cl)C1 ZINC000800571273 724214155 /nfs/dbraw/zinc/21/41/55/724214155.db2.gz HQRXQXVEPDJROX-CQSZACIVSA-N 1 2 360.889 3.169 20 10 FGCDLO Oc1c(Br)cccc1C[NH2+]Cc1ncnn1-c1ccccc1 ZINC000785525926 724919562 /nfs/dbraw/zinc/91/95/62/724919562.db2.gz IBJAVVVZJKIPET-UHFFFAOYSA-N 1 2 359.227 3.025 20 10 FGCDLO COC(=O)C[N@H+](CC[C@H](O)c1ccccc1)Cc1cc(Cl)ccc1O ZINC000808736590 725215465 /nfs/dbraw/zinc/21/54/65/725215465.db2.gz VTQNFNWHOOOQPN-SFHVURJKSA-N 1 2 363.841 3.144 20 10 FGCDLO COC(=O)C[N@@H+](CC[C@H](O)c1ccccc1)Cc1cc(Cl)ccc1O ZINC000808736590 725215468 /nfs/dbraw/zinc/21/54/68/725215468.db2.gz VTQNFNWHOOOQPN-SFHVURJKSA-N 1 2 363.841 3.144 20 10 FGCDLO CN(C)c1ccc(C[N@@H+]2CCO[C@@]3(CCCOC3)C2)c(C(F)(F)F)c1 ZINC000809686703 725258709 /nfs/dbraw/zinc/25/87/09/725258709.db2.gz IKJMYEBBHOVHGL-KRWDZBQOSA-N 1 2 358.404 3.153 20 10 FGCDLO CN(C)c1ccc(C[N@H+]2CCO[C@@]3(CCCOC3)C2)c(C(F)(F)F)c1 ZINC000809686703 725258710 /nfs/dbraw/zinc/25/87/10/725258710.db2.gz IKJMYEBBHOVHGL-KRWDZBQOSA-N 1 2 358.404 3.153 20 10 FGCDLO CCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cccc(Br)c1O ZINC000809691493 725259169 /nfs/dbraw/zinc/25/91/69/725259169.db2.gz NSWKDISLLPUFJD-CYBMUJFWSA-N 1 2 371.275 3.255 20 10 FGCDLO CCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1cccc(Br)c1O ZINC000809691493 725259170 /nfs/dbraw/zinc/25/91/70/725259170.db2.gz NSWKDISLLPUFJD-CYBMUJFWSA-N 1 2 371.275 3.255 20 10 FGCDLO Cc1noc([C@@H]2CCC[N@@H+]2Cc2cc(C)cc(Br)c2O)n1 ZINC000809720418 725262373 /nfs/dbraw/zinc/26/23/73/725262373.db2.gz BVKMFMZJIUEILK-ZDUSSCGKSA-N 1 2 352.232 3.492 20 10 FGCDLO Cc1noc([C@@H]2CCC[N@H+]2Cc2cc(C)cc(Br)c2O)n1 ZINC000809720418 725262375 /nfs/dbraw/zinc/26/23/75/725262375.db2.gz BVKMFMZJIUEILK-ZDUSSCGKSA-N 1 2 352.232 3.492 20 10 FGCDLO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C(F)C(F)(F)F ZINC000810631903 725318764 /nfs/dbraw/zinc/31/87/64/725318764.db2.gz PCTLLYIBFPEZTO-DGCLKSJQSA-N 1 2 368.758 3.027 20 10 FGCDLO O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C(F)C(F)(F)F ZINC000810631903 725318767 /nfs/dbraw/zinc/31/87/67/725318767.db2.gz PCTLLYIBFPEZTO-DGCLKSJQSA-N 1 2 368.758 3.027 20 10 FGCDLO CC[NH2+]CC[NH2+][C@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000817951945 727289166 /nfs/dbraw/zinc/28/91/66/727289166.db2.gz LOKRLXGAYRJPBW-MRVPVSSYSA-N 1 2 366.097 3.177 20 10 FGCDLO Cc1cc(O)c(C[N@@H+]2CCOC[C@H]2C[C@H](O)c2ccco2)cc1Cl ZINC000824933557 729365546 /nfs/dbraw/zinc/36/55/46/729365546.db2.gz HDMZRBDJVFOJOS-PBHICJAKSA-N 1 2 351.830 3.272 20 10 FGCDLO Cc1cc(O)c(C[N@H+]2CCOC[C@H]2C[C@H](O)c2ccco2)cc1Cl ZINC000824933557 729365548 /nfs/dbraw/zinc/36/55/48/729365548.db2.gz HDMZRBDJVFOJOS-PBHICJAKSA-N 1 2 351.830 3.272 20 10 FGCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CC[S@](=O)C(C)(C)CC2)c1 ZINC000825024445 729368039 /nfs/dbraw/zinc/36/80/39/729368039.db2.gz PHWPZAZNOJVTBS-FQEVSTJZSA-N 1 2 360.317 3.196 20 10 FGCDLO Cc1cc(Br)c(O)c(C[N@H+]2CC[S@](=O)C(C)(C)CC2)c1 ZINC000825024445 729368041 /nfs/dbraw/zinc/36/80/41/729368041.db2.gz PHWPZAZNOJVTBS-FQEVSTJZSA-N 1 2 360.317 3.196 20 10 FGCDLO C[C@H]([NH2+][C@@H]1C[C@H](C)n2ncnc21)c1cc(Br)cc(F)c1O ZINC000850498929 731365010 /nfs/dbraw/zinc/36/50/10/731365010.db2.gz GCCBIILYOLAPFD-YVZVNANGSA-N 1 2 355.211 3.242 20 10 FGCDLO Cc1nc(N[C@@H](C)Cc2ccc(O)c(O)c2)c(Br)c(C)[nH+]1 ZINC000853472829 731708408 /nfs/dbraw/zinc/70/84/08/731708408.db2.gz DRKWPHPDYNRLAD-QMMMGPOBSA-N 1 2 352.232 3.310 20 10 FGCDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858126218 732183176 /nfs/dbraw/zinc/18/31/76/732183176.db2.gz WNBXZGKCWKFZSQ-UHFFFAOYSA-N 1 2 351.353 3.237 20 10 FGCDLO CC(C)n1cc(C(C)(C)[NH2+]Cc2c(O)cccc2Br)nn1 ZINC000858179488 732189698 /nfs/dbraw/zinc/18/96/98/732189698.db2.gz BFXKAEWEZCNOOV-UHFFFAOYSA-N 1 2 353.264 3.352 20 10 FGCDLO C[C@@H]([NH2+][C@@H](C)c1cc(Br)cc(F)c1O)[C@@H](O)C(F)(F)F ZINC000866463708 733353097 /nfs/dbraw/zinc/35/30/97/733353097.db2.gz PYDXZEQAVXRHMJ-WGDKSQQYSA-N 1 2 360.145 3.256 20 10 FGCDLO CC[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1cccc(Cl)c1O ZINC000872118941 735591982 /nfs/dbraw/zinc/59/19/82/735591982.db2.gz LVFKBLDYZIBATH-XQERAMJGSA-N 1 2 357.903 3.442 20 10 FGCDLO O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2O)CC1)C1CCCCC1 ZINC000876649205 736126648 /nfs/dbraw/zinc/12/66/48/736126648.db2.gz OTTUNLBSOXNIAQ-UHFFFAOYSA-N 1 2 352.425 3.331 20 10 FGCDLO Oc1c(F)c(F)ccc1C[NH+]1CCC(Oc2cncc(Cl)n2)CC1 ZINC000877427076 736217794 /nfs/dbraw/zinc/21/77/94/736217794.db2.gz UYZXNXVDVDARCA-UHFFFAOYSA-N 1 2 355.772 3.157 20 10 FGCDLO C[C@@H](C[C@H](O)c1ccco1)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000883079275 737519936 /nfs/dbraw/zinc/51/99/36/737519936.db2.gz NZEIAHPSOKSGAL-ZANVPECISA-N 1 2 358.207 3.489 20 10 FGCDLO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000883087858 737520949 /nfs/dbraw/zinc/52/09/49/737520949.db2.gz KVOSPMHTHWPSOP-STQMWFEESA-N 1 2 364.667 3.092 20 10 FGCDLO Oc1c(F)cc(Br)cc1C[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000894476503 742288306 /nfs/dbraw/zinc/28/83/06/742288306.db2.gz APJVBSYFTHATEK-UHFFFAOYSA-N 1 2 374.250 3.065 20 10 FGCDLO Oc1c(F)cc(Br)cc1C[N@H+]1CCOC2(CCOCC2)CC1 ZINC000894476503 742288307 /nfs/dbraw/zinc/28/83/07/742288307.db2.gz APJVBSYFTHATEK-UHFFFAOYSA-N 1 2 374.250 3.065 20 10 FGCDLO Oc1c(F)cc(Br)cc1C[NH+]1CCC(c2ccncn2)CC1 ZINC000894985778 742360903 /nfs/dbraw/zinc/36/09/03/742360903.db2.gz JBOUIWGROPXHCR-UHFFFAOYSA-N 1 2 366.234 3.463 20 10 FGCDLO CCS(=O)(=O)c1c(Cl)cccc1C[N@H+](C)Cc1ccccc1O ZINC000186907951 496204370 /nfs/dbraw/zinc/20/43/70/496204370.db2.gz UIGLTWOVPLSWME-UHFFFAOYSA-N 1 2 353.871 3.471 20 10 FGCDLO CCS(=O)(=O)c1c(Cl)cccc1C[N@@H+](C)Cc1ccccc1O ZINC000186907951 496204375 /nfs/dbraw/zinc/20/43/75/496204375.db2.gz UIGLTWOVPLSWME-UHFFFAOYSA-N 1 2 353.871 3.471 20 10 FGCDLO CN(C)c1ccc(C[NH2+]Cc2c(Cl)cccc2S(C)(=O)=O)cc1 ZINC000273367047 496785835 /nfs/dbraw/zinc/78/58/35/496785835.db2.gz BWUBZWUSYMWGAW-UHFFFAOYSA-N 1 2 352.887 3.099 20 10 FGCDLO C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1)c1cc([N+](=O)[O-])ccc1O ZINC000273527167 496830916 /nfs/dbraw/zinc/83/09/16/496830916.db2.gz VOOVBSFWECBXAG-CZUORRHYSA-N 1 2 371.441 3.009 20 10 FGCDLO Cc1cc(N2CCC[C@H]([NH2+][C@H](C)c3ccc(F)c(F)c3O)C2)n(C)n1 ZINC000278162859 497024598 /nfs/dbraw/zinc/02/45/98/497024598.db2.gz AMUMBVRJBYPRKL-OLZOCXBDSA-N 1 2 350.413 3.032 20 10 FGCDLO C[N@H+](Cc1ncc(I)s1)Cc1ccccc1O ZINC000289110201 498020031 /nfs/dbraw/zinc/02/00/31/498020031.db2.gz MVEBXUFWMSQANE-UHFFFAOYSA-N 1 2 360.220 3.085 20 10 FGCDLO C[N@@H+](Cc1ncc(I)s1)Cc1ccccc1O ZINC000289110201 498020039 /nfs/dbraw/zinc/02/00/39/498020039.db2.gz MVEBXUFWMSQANE-UHFFFAOYSA-N 1 2 360.220 3.085 20 10 FGCDLO COC1CCN(c2ccc(CN3CC[NH+](Cc4ccco4)CC3)cc2)CC1 ZINC000296467008 498054670 /nfs/dbraw/zinc/05/46/70/498054670.db2.gz JSKDXONIWAEBKD-UHFFFAOYSA-N 1 2 369.509 3.213 20 10 FGCDLO COc1c(O)c(C[NH2+][C@@H](C)c2noc(-c3ccccc3)n2)ccc1[N+](=O)[O-] ZINC000364755647 498129919 /nfs/dbraw/zinc/12/99/19/498129919.db2.gz BZDFOQVVGMCWQY-NSHDSACASA-N 1 2 370.365 3.210 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)[C@@H]3CCO[C@@H]3C(C)C)CC2)cc1 ZINC000365037738 498267004 /nfs/dbraw/zinc/26/70/04/498267004.db2.gz BEYLVVHDRTWONJ-WOJBJXKFSA-N 1 2 360.498 3.184 20 10 FGCDLO CCc1nc([C@H]2CCCC[N@@H+]2Cc2ccc(N3CCOCC3)cc2)no1 ZINC000361157826 498354161 /nfs/dbraw/zinc/35/41/61/498354161.db2.gz QHCRAXZTXBMGHR-GOSISDBHSA-N 1 2 356.470 3.196 20 10 FGCDLO CCc1nc([C@H]2CCCC[N@H+]2Cc2ccc(N3CCOCC3)cc2)no1 ZINC000361157826 498354168 /nfs/dbraw/zinc/35/41/68/498354168.db2.gz QHCRAXZTXBMGHR-GOSISDBHSA-N 1 2 356.470 3.196 20 10 FGCDLO COc1ccc(N2CCCN(c3nc(C)[nH+]c4c3CCCC4)CC2)cc1 ZINC000302070693 498396299 /nfs/dbraw/zinc/39/62/99/498396299.db2.gz YFJXXPDWZUPOCO-UHFFFAOYSA-N 1 2 352.482 3.389 20 10 FGCDLO CCOCc1nc([C@H](C)[NH2+][C@@H](C)c2cc(Br)ccc2O)no1 ZINC000290051092 498407672 /nfs/dbraw/zinc/40/76/72/498407672.db2.gz FBMSIULVILMUGL-UWVGGRQHSA-N 1 2 370.247 3.486 20 10 FGCDLO C[C@@H]([NH2+]Cc1ccncc1OC[C@H]1CCOC1)c1ccc(F)c(F)c1O ZINC000287408568 498744942 /nfs/dbraw/zinc/74/49/42/498744942.db2.gz RHZXJWTVLCPFBE-OLZOCXBDSA-N 1 2 364.392 3.332 20 10 FGCDLO CCOCc1nc([C@H](C)[NH2+]Cc2cc(Br)cc(C)c2O)no1 ZINC000290995658 498749837 /nfs/dbraw/zinc/74/98/37/498749837.db2.gz VNQYSHWIYKSVMY-JTQLQIEISA-N 1 2 370.247 3.233 20 10 FGCDLO COCc1ccc(C(=O)N(C)C2CC[NH+](c3ccc(OC)cc3)CC2)o1 ZINC000363631031 498914805 /nfs/dbraw/zinc/91/48/05/498914805.db2.gz DXZGKVOGMPEENZ-UHFFFAOYSA-N 1 2 358.438 3.176 20 10 FGCDLO CCc1cnccc1C(=O)N(C)C1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000363773275 498985387 /nfs/dbraw/zinc/98/53/87/498985387.db2.gz BVBHNROORBGPHO-UHFFFAOYSA-N 1 2 353.466 3.394 20 10 FGCDLO C[C@@H]([NH2+][C@H]1CCc2c[nH]nc2C1)c1cc(Br)cc(F)c1O ZINC000370400015 499216906 /nfs/dbraw/zinc/21/69/06/499216906.db2.gz WRTNWFORRGHUIB-KCJUWKMLSA-N 1 2 354.223 3.225 20 10 FGCDLO CN(C)c1ccc(C2=CC[N@H+](CC(=O)Nc3cccnc3Cl)C2)cc1 ZINC000368036236 499258051 /nfs/dbraw/zinc/25/80/51/499258051.db2.gz QUXDOCZDVBGNMQ-UHFFFAOYSA-N 1 2 356.857 3.139 20 10 FGCDLO CN(C)c1ccc(C2=CC[N@@H+](CC(=O)Nc3cccnc3Cl)C2)cc1 ZINC000368036236 499258052 /nfs/dbraw/zinc/25/80/52/499258052.db2.gz QUXDOCZDVBGNMQ-UHFFFAOYSA-N 1 2 356.857 3.139 20 10 FGCDLO Cn1ccc([C@H]([NH2+]Cc2cc3c(cc2O)OCO3)c2ccc(Cl)cc2)n1 ZINC000371992962 499387651 /nfs/dbraw/zinc/38/76/51/499387651.db2.gz PPAVFCCFOIQIET-LJQANCHMSA-N 1 2 371.824 3.387 20 10 FGCDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000376428412 499608017 /nfs/dbraw/zinc/60/80/17/499608017.db2.gz OQWMJWQTTXHMSR-GOSISDBHSA-N 1 2 367.497 3.110 20 10 FGCDLO COc1ccc([NH+]2CCC(Nc3ccc4c(c3)CC(=O)N4C)CC2)cc1 ZINC000376439737 499608867 /nfs/dbraw/zinc/60/88/67/499608867.db2.gz CPMOYUBOPUVUAG-UHFFFAOYSA-N 1 2 351.450 3.295 20 10 FGCDLO CN(C)c1ccc(C[N@H+](C)Cn2c(-c3ccccn3)csc2=O)cc1 ZINC000104052496 700491959 /nfs/dbraw/zinc/49/19/59/700491959.db2.gz ZXQALVWQPOOJDX-UHFFFAOYSA-N 1 2 354.479 3.127 20 10 FGCDLO CN(C)c1ccc(C[N@@H+](C)Cn2c(-c3ccccn3)csc2=O)cc1 ZINC000104052496 700491960 /nfs/dbraw/zinc/49/19/60/700491960.db2.gz ZXQALVWQPOOJDX-UHFFFAOYSA-N 1 2 354.479 3.127 20 10 FGCDLO COc1ccc(N2CC[NH+](Cn3ccc(-c4ccsc4)n3)CC2)cc1 ZINC000111219523 700547139 /nfs/dbraw/zinc/54/71/39/700547139.db2.gz KHTVVYXUIQQBFU-UHFFFAOYSA-N 1 2 354.479 3.400 20 10 FGCDLO C[C@H]([NH2+][C@H]1CCCN(C)C1=O)c1cc(Br)cc(Cl)c1O ZINC000756639401 722968030 /nfs/dbraw/zinc/96/80/30/722968030.db2.gz YGSXZRPMDVJVMI-UFBFGSQYSA-N 1 2 361.667 3.080 20 10 FGCDLO C[C@@H](O)C[C@H](C)[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000783602133 724770695 /nfs/dbraw/zinc/77/06/95/724770695.db2.gz FZCSDILRXITPCG-JGVFFNPUSA-N 1 2 367.081 3.166 20 10 FGCDLO COc1cc(Br)cc(C[N@@H+]2CCc3ncsc3C2)c1O ZINC000783742775 724784588 /nfs/dbraw/zinc/78/45/88/724784588.db2.gz AATFLSUTXIMQFX-UHFFFAOYSA-N 1 2 355.257 3.178 20 10 FGCDLO COc1cc(Br)cc(C[N@H+]2CCc3ncsc3C2)c1O ZINC000783742775 724784591 /nfs/dbraw/zinc/78/45/91/724784591.db2.gz AATFLSUTXIMQFX-UHFFFAOYSA-N 1 2 355.257 3.178 20 10 FGCDLO CSC[C@@](C)(O)C[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708195830 722412909 /nfs/dbraw/zinc/41/29/09/722412909.db2.gz CQPVKRKLBIWBNO-LBPRGKRZSA-N 1 2 354.697 3.012 20 10 FGCDLO CO[C@H](C)c1nc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cs1 ZINC000752267063 722851855 /nfs/dbraw/zinc/85/18/55/722851855.db2.gz VUKQIRFRTLHUAM-CYBMUJFWSA-N 1 2 365.474 3.116 20 10 FGCDLO C[C@H]([NH2+]CC1(N2CCOCC2)CCCCC1)c1cc(F)cc(F)c1O ZINC000756352133 722963336 /nfs/dbraw/zinc/96/33/36/722963336.db2.gz QWVIDDDZWFWCAH-AWEZNQCLSA-N 1 2 354.441 3.356 20 10 FGCDLO C[C@@H]([NH2+]CCN(C)CC(F)(F)F)c1cc(Br)c(F)cc1O ZINC000756568497 722967032 /nfs/dbraw/zinc/96/70/32/722967032.db2.gz GMAQSWHTJXKNQO-MRVPVSSYSA-N 1 2 373.188 3.439 20 10 FGCDLO CS[C@H](CO)[C@H](C)[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000756594943 722967390 /nfs/dbraw/zinc/96/73/90/722967390.db2.gz SNWLUVFOQDNSAR-UVPNAGLESA-N 1 2 352.269 3.057 20 10 FGCDLO Oc1ccccc1C[NH2+]Cc1noc(-c2cccc(Br)c2)n1 ZINC000790946427 723197701 /nfs/dbraw/zinc/19/77/01/723197701.db2.gz RCXGLTLCMVIXJX-UHFFFAOYSA-N 1 2 360.211 3.495 20 10 FGCDLO Cc1cc(Br)c([O-])c(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC000762484180 723247274 /nfs/dbraw/zinc/24/72/74/723247274.db2.gz UVUHCGMKVGVFOF-AWEZNQCLSA-N 1 2 371.319 3.054 20 10 FGCDLO Cc1cc(Br)c([O-])c(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c1 ZINC000762484180 723247280 /nfs/dbraw/zinc/24/72/80/723247280.db2.gz UVUHCGMKVGVFOF-AWEZNQCLSA-N 1 2 371.319 3.054 20 10 FGCDLO COc1cc(Br)cc(C[N@@H+]2C[C@H](C)O[C@@H](C3CC3)C2)c1O ZINC000793214590 723412140 /nfs/dbraw/zinc/41/21/40/723412140.db2.gz PDCKAANSWXDPBB-ZUZCIYMTSA-N 1 2 356.260 3.163 20 10 FGCDLO COc1cc(Br)cc(C[N@H+]2C[C@H](C)O[C@@H](C3CC3)C2)c1O ZINC000793214590 723412142 /nfs/dbraw/zinc/41/21/42/723412142.db2.gz PDCKAANSWXDPBB-ZUZCIYMTSA-N 1 2 356.260 3.163 20 10 FGCDLO CS(=O)(=O)C[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)c1ccccc1 ZINC000765659299 723531066 /nfs/dbraw/zinc/53/10/66/723531066.db2.gz XPUHSNYPCKFZJL-OAHLLOKOSA-N 1 2 357.834 3.060 20 10 FGCDLO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3cc(Cl)cc(F)c3O)C[C@@H]2C1 ZINC000796029783 723618073 /nfs/dbraw/zinc/61/80/73/723618073.db2.gz QPAQBGAKNFXHJV-BETUJISGSA-N 1 2 370.852 3.483 20 10 FGCDLO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3cc(Cl)cc(F)c3O)C[C@@H]2C1 ZINC000796029783 723618076 /nfs/dbraw/zinc/61/80/76/723618076.db2.gz QPAQBGAKNFXHJV-BETUJISGSA-N 1 2 370.852 3.483 20 10 FGCDLO CC[C@@H]1C[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C[C@]2(CCOC2)O1 ZINC000796550009 723643148 /nfs/dbraw/zinc/64/31/48/723643148.db2.gz ALWJLMSPSUUCNZ-QAPCUYQASA-N 1 2 353.846 3.018 20 10 FGCDLO CC[C@@H]1C[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C[C@]2(CCOC2)O1 ZINC000796550009 723643150 /nfs/dbraw/zinc/64/31/50/723643150.db2.gz ALWJLMSPSUUCNZ-QAPCUYQASA-N 1 2 353.846 3.018 20 10 FGCDLO COc1cccc(C(=O)N2CC[NH+](Cc3c(O)cccc3Cl)CC2)c1 ZINC000768425386 723657325 /nfs/dbraw/zinc/65/73/25/723657325.db2.gz LVTXRJGKHLJWDR-UHFFFAOYSA-N 1 2 360.841 3.012 20 10 FGCDLO CCO[C@H](C)c1nc(C[N@H+](C)Cc2cc3c(cc2O)OC[C@@H]3O)cs1 ZINC000768465543 723658425 /nfs/dbraw/zinc/65/84/25/723658425.db2.gz IPKUQPVOHSQJJG-BZNIZROVSA-N 1 2 364.467 3.004 20 10 FGCDLO CCO[C@H](C)c1nc(C[N@@H+](C)Cc2cc3c(cc2O)OC[C@@H]3O)cs1 ZINC000768465543 723658426 /nfs/dbraw/zinc/65/84/26/723658426.db2.gz IPKUQPVOHSQJJG-BZNIZROVSA-N 1 2 364.467 3.004 20 10 FGCDLO Cc1ccc(CC(=O)N2CC[NH+](Cc3c(O)cccc3Cl)CC2)cc1 ZINC000769301441 723681801 /nfs/dbraw/zinc/68/18/01/723681801.db2.gz RILREFIEXJHQKV-UHFFFAOYSA-N 1 2 358.869 3.241 20 10 FGCDLO Oc1cc2c(cc1C[N@@H+]1Cc3cccc(Br)c3C1)[C@@H](O)CO2 ZINC000769788935 723695313 /nfs/dbraw/zinc/69/53/13/723695313.db2.gz DKOGLGOPRDSZGP-INIZCTEOSA-N 1 2 362.223 3.096 20 10 FGCDLO Oc1cc2c(cc1C[N@H+]1Cc3cccc(Br)c3C1)[C@@H](O)CO2 ZINC000769788935 723695315 /nfs/dbraw/zinc/69/53/15/723695315.db2.gz DKOGLGOPRDSZGP-INIZCTEOSA-N 1 2 362.223 3.096 20 10 FGCDLO Cn1c(Cl)cnc1CN[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000799335781 724013471 /nfs/dbraw/zinc/01/34/71/724013471.db2.gz CXUHUAIIFZOGRJ-CQSZACIVSA-N 1 2 369.296 3.187 20 10 FGCDLO Cn1c(Cl)cnc1CN[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000799335781 724013473 /nfs/dbraw/zinc/01/34/73/724013473.db2.gz CXUHUAIIFZOGRJ-CQSZACIVSA-N 1 2 369.296 3.187 20 10 FGCDLO C[C@H](O)C(C)(C)[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000776252289 724123824 /nfs/dbraw/zinc/12/38/24/724123824.db2.gz APJTWRUSSHOFOW-ZETCQYMHSA-N 1 2 367.081 3.166 20 10 FGCDLO O=C1C[C@@H](C[NH2+]Cc2cc(Cl)cc(F)c2O)CN1Cc1ccccc1 ZINC000776252962 724124157 /nfs/dbraw/zinc/12/41/57/724124157.db2.gz GWYCLMCRTUIGMP-AWEZNQCLSA-N 1 2 362.832 3.323 20 10 FGCDLO O=C(/C=C/c1ccccc1)NCCC[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000800544716 724211399 /nfs/dbraw/zinc/21/13/99/724211399.db2.gz NRKHBMMJAFXXRL-BQYQJAHWSA-N 1 2 362.832 3.494 20 10 FGCDLO CCN(C)C(=O)[C@H](C)[NH2+][C@H](C)c1cc(Br)cc(Cl)c1O ZINC000788981736 725100705 /nfs/dbraw/zinc/10/07/05/725100705.db2.gz GBSRFQCSHWYFMX-BDAKNGLRSA-N 1 2 363.683 3.326 20 10 FGCDLO CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc2cccc(Cl)c2O)s1 ZINC000809721291 725262589 /nfs/dbraw/zinc/26/25/89/725262589.db2.gz PDYGIIIQBMMWNR-VHSXEESVSA-N 1 2 368.890 3.212 20 10 FGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]Cc1ccncc1OC[C@H]1CCOC1 ZINC000809783896 725268528 /nfs/dbraw/zinc/26/85/28/725268528.db2.gz NTFAYXHOVCPWOK-LBPRGKRZSA-N 1 2 366.820 3.285 20 10 FGCDLO Cc1nccnc1CC[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000815650953 727088709 /nfs/dbraw/zinc/08/87/09/727088709.db2.gz GCULUYPASHLWTC-SECBINFHSA-N 1 2 354.223 3.286 20 10 FGCDLO CC(C)n1cc(C(C)(C)[NH2+]Cc2cccc(Br)c2O)nn1 ZINC000817419856 727249925 /nfs/dbraw/zinc/24/99/25/727249925.db2.gz LMBRFNNGFBVLLH-UHFFFAOYSA-N 1 2 353.264 3.352 20 10 FGCDLO CCS(=O)(=O)CC[N@H+](C)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823464477 729282871 /nfs/dbraw/zinc/28/28/71/729282871.db2.gz DQTMRSCFCLHXOW-UHFFFAOYSA-N 1 2 366.552 3.251 20 10 FGCDLO CCS(=O)(=O)CC[N@@H+](C)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823464477 729282875 /nfs/dbraw/zinc/28/28/75/729282875.db2.gz DQTMRSCFCLHXOW-UHFFFAOYSA-N 1 2 366.552 3.251 20 10 FGCDLO Cc1ccncc1N1CC[NH+](Cc2ccc(Br)cc2O)CC1 ZINC000825768680 729394849 /nfs/dbraw/zinc/39/48/49/729394849.db2.gz VGCPAFNEQMLLSD-UHFFFAOYSA-N 1 2 362.271 3.180 20 10 FGCDLO OC[C@]1(C[NH2+]Cc2cccc(Br)c2O)CCc2ccccc21 ZINC000846010407 730918212 /nfs/dbraw/zinc/91/82/12/730918212.db2.gz GGQPWLPAEIVQHO-GOSISDBHSA-N 1 2 362.267 3.121 20 10 FGCDLO CC[C@H]([NH2+]Cc1nnn(C(C)(C)C)n1)c1ccc(C(F)(F)F)cc1O ZINC000848561310 731181863 /nfs/dbraw/zinc/18/18/63/731181863.db2.gz VCEKUJCCJGIQQD-LBPRGKRZSA-N 1 2 357.380 3.393 20 10 FGCDLO CO[C@@H]1C[C@@H]2C[N@H+](Cc3cccc(Cl)c3O)Cc3cccnc3N2C1 ZINC000877688227 736705182 /nfs/dbraw/zinc/70/51/82/736705182.db2.gz RPMIIGCELVUKCV-HZPDHXFCSA-N 1 2 359.857 3.050 20 10 FGCDLO CO[C@@H]1C[C@@H]2C[N@@H+](Cc3cccc(Cl)c3O)Cc3cccnc3N2C1 ZINC000877688227 736705186 /nfs/dbraw/zinc/70/51/86/736705186.db2.gz RPMIIGCELVUKCV-HZPDHXFCSA-N 1 2 359.857 3.050 20 10 FGCDLO COc1ccc(OC)c([C@@H](O)[C@@H](C)[NH2+]Cc2cccc(Cl)c2O)c1 ZINC000877832205 736733601 /nfs/dbraw/zinc/73/36/01/736733601.db2.gz IAXWOGUNRCUJCR-DIFFPNOSSA-N 1 2 351.830 3.275 20 10 FGCDLO OC[C@H]([NH2+]Cc1cc(F)cc(F)c1O)c1ccccc1OC(F)(F)F ZINC000883108347 737524463 /nfs/dbraw/zinc/52/44/63/737524463.db2.gz DTHJOXDCKOBGLY-ZDUSSCGKSA-N 1 2 363.282 3.392 20 10 FGCDLO Cn1ncc(C2CC2)c1C[NH2+]Cc1cc(Br)cc(F)c1O ZINC000883174370 737531742 /nfs/dbraw/zinc/53/17/42/737531742.db2.gz JHBWADUTEXQTNH-UHFFFAOYSA-N 1 2 354.223 3.195 20 10 FGCDLO Cc1noc(C2CC[NH+](Cc3cc(Br)cc(F)c3O)CC2)n1 ZINC000893962136 742219374 /nfs/dbraw/zinc/21/93/74/742219374.db2.gz IGOZYBKWPMDBTP-UHFFFAOYSA-N 1 2 370.222 3.365 20 10 FGCDLO C[N@H+](CCc1cnccn1)Cc1cc(Cl)cc(Br)c1O ZINC000894424450 742281272 /nfs/dbraw/zinc/28/12/72/742281272.db2.gz GKDXSOIXDAPLHB-UHFFFAOYSA-N 1 2 356.651 3.273 20 10 FGCDLO C[N@@H+](CCc1cnccn1)Cc1cc(Cl)cc(Br)c1O ZINC000894424450 742281275 /nfs/dbraw/zinc/28/12/75/742281275.db2.gz GKDXSOIXDAPLHB-UHFFFAOYSA-N 1 2 356.651 3.273 20 10 FGCDLO Cn1nc(C[NH2+]Cc2c(O)cccc2Br)cc1C(F)(F)F ZINC000898019476 742734348 /nfs/dbraw/zinc/73/43/48/742734348.db2.gz NDCJNTAMZRQEEN-UHFFFAOYSA-N 1 2 364.165 3.197 20 10 FGCDLO CCCOc1ccc(C[N@@H+]2CCOC[C@H]2C[C@H](O)c2ccco2)c(O)c1 ZINC000092040464 494766711 /nfs/dbraw/zinc/76/67/11/494766711.db2.gz GXECRCHMWFGKQJ-APWZRJJASA-N 1 2 361.438 3.099 20 10 FGCDLO CCCOc1ccc(C[N@H+]2CCOC[C@H]2C[C@H](O)c2ccco2)c(O)c1 ZINC000092040464 494766716 /nfs/dbraw/zinc/76/67/16/494766716.db2.gz GXECRCHMWFGKQJ-APWZRJJASA-N 1 2 361.438 3.099 20 10 FGCDLO O=C1NCCCN1C1CC[NH+](Cc2cc(Cl)cc(Cl)c2O)CC1 ZINC000093669193 494910665 /nfs/dbraw/zinc/91/06/65/494910665.db2.gz XUUTUYQJIKXEQV-UHFFFAOYSA-N 1 2 358.269 3.079 20 10 FGCDLO C[C@H](O)CC[NH2+][C@@H](C)c1cc(Br)cc(Br)c1O ZINC000185456117 495584428 /nfs/dbraw/zinc/58/44/28/495584428.db2.gz UIEFRAGCGVPODT-YUMQZZPRSA-N 1 2 367.081 3.339 20 10 FGCDLO O=C1/C(=C\c2ccc(N3CCCC3)[nH+]c2)SC(=S)N1Cc1ccon1 ZINC000178018448 496289387 /nfs/dbraw/zinc/28/93/87/496289387.db2.gz LFXVLXRASVOFLU-NTEUORMPSA-N 1 2 372.475 3.071 20 10 FGCDLO CC(=O)c1cc(F)cc(C[NH+]2CCN([C@H](C)c3nccs3)CC2)c1O ZINC000184634997 496473667 /nfs/dbraw/zinc/47/36/67/496473667.db2.gz QBTDEPFECJIRKS-GFCCVEGCSA-N 1 2 363.458 3.069 20 10 FGCDLO C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1O)c1ccc(S(C)(=O)=O)cc1 ZINC000187669469 496528377 /nfs/dbraw/zinc/52/83/77/496528377.db2.gz CMZGIOSNYOPRGN-MNOVXSKESA-N 1 2 355.406 3.486 20 10 FGCDLO Oc1ccccc1C[N@@H+](Cc1nncn1-c1ccccc1)C[C@H]1CCCO1 ZINC000277741989 496871840 /nfs/dbraw/zinc/87/18/40/496871840.db2.gz OXQWFIFOURPCDN-LJQANCHMSA-N 1 2 364.449 3.154 20 10 FGCDLO Oc1ccccc1C[N@H+](Cc1nncn1-c1ccccc1)C[C@H]1CCCO1 ZINC000277741989 496871844 /nfs/dbraw/zinc/87/18/44/496871844.db2.gz OXQWFIFOURPCDN-LJQANCHMSA-N 1 2 364.449 3.154 20 10 FGCDLO CCOC(=O)c1csc([C@H]2CCC[N@@H+]2Cc2cc(OC)ccc2O)n1 ZINC000191830256 496903853 /nfs/dbraw/zinc/90/38/53/496903853.db2.gz YRPFKNQPGBCWSX-OAHLLOKOSA-N 1 2 362.451 3.371 20 10 FGCDLO CCOC(=O)c1csc([C@H]2CCC[N@H+]2Cc2cc(OC)ccc2O)n1 ZINC000191830256 496903859 /nfs/dbraw/zinc/90/38/59/496903859.db2.gz YRPFKNQPGBCWSX-OAHLLOKOSA-N 1 2 362.451 3.371 20 10 FGCDLO COCCOCCOCCC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1O ZINC000274667192 497141759 /nfs/dbraw/zinc/14/17/59/497141759.db2.gz OKAZVQUCZRAHBY-GFCCVEGCSA-N 1 2 366.285 3.419 20 10 FGCDLO COc1cc(O)c(C[N@H+](C)Cc2nc(-c3ccccc3)c[nH]2)cc1OC ZINC000271069740 497258543 /nfs/dbraw/zinc/25/85/43/497258543.db2.gz DRNWHLJHVMDDRJ-UHFFFAOYSA-N 1 2 353.422 3.432 20 10 FGCDLO COc1cc(O)c(C[N@@H+](C)Cc2nc(-c3ccccc3)c[nH]2)cc1OC ZINC000271069740 497258546 /nfs/dbraw/zinc/25/85/46/497258546.db2.gz DRNWHLJHVMDDRJ-UHFFFAOYSA-N 1 2 353.422 3.432 20 10 FGCDLO Cc1ccnc(-c2n[nH]c([C@@H](C)[NH2+][C@H](C)c3cc([N+](=O)[O-])ccc3O)n2)c1 ZINC000279620742 497488804 /nfs/dbraw/zinc/48/88/04/497488804.db2.gz YGTZTUNBFBLVSM-VXGBXAGGSA-N 1 2 368.397 3.201 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@H](C)OC3(CCOCC3)C2)c1O ZINC000279642253 497495269 /nfs/dbraw/zinc/49/52/69/497495269.db2.gz AXIAXVIQZZZXFN-LBPRGKRZSA-N 1 2 353.846 3.018 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@H](C)OC3(CCOCC3)C2)c1O ZINC000279642253 497495275 /nfs/dbraw/zinc/49/52/75/497495275.db2.gz AXIAXVIQZZZXFN-LBPRGKRZSA-N 1 2 353.846 3.018 20 10 FGCDLO C[C@@H]([NH2+]C1CC[NH+](CCc2ccncc2)CC1)c1ccc(F)c(F)c1[O-] ZINC000364806260 498152962 /nfs/dbraw/zinc/15/29/62/498152962.db2.gz JNKOHTJKCKYJNX-CQSZACIVSA-N 1 2 361.436 3.423 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)c3cccc(Cl)n3)CC2)cc1 ZINC000360166316 498252079 /nfs/dbraw/zinc/25/20/79/498252079.db2.gz QYFMBHOHSGTRBO-UHFFFAOYSA-N 1 2 359.857 3.485 20 10 FGCDLO C[C@@H]([NH2+][C@@H](C(N)=O)c1ccccn1)c1ccc(N2CCCCC2)c(F)c1 ZINC000297445978 498451946 /nfs/dbraw/zinc/45/19/46/498451946.db2.gz WOUZWXXFCRATMG-AUUYWEPGSA-N 1 2 356.445 3.088 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)NC[C@H]3CCSC3)CC2)cc1 ZINC000365726365 498615163 /nfs/dbraw/zinc/61/51/63/498615163.db2.gz GDBRTYIJVKXTSV-OAHLLOKOSA-N 1 2 363.527 3.059 20 10 FGCDLO CC[C@@H]([NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O)c1cccc(Cl)c1O ZINC000287540844 498791179 /nfs/dbraw/zinc/79/11/79/498791179.db2.gz FAQSVJKJSCNRRL-CABCVRRESA-N 1 2 362.861 3.015 20 10 FGCDLO COCCOCc1ccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000291246509 498861492 /nfs/dbraw/zinc/86/14/92/498861492.db2.gz PAPVTGYLZREMJV-AWEZNQCLSA-N 1 2 360.410 3.314 20 10 FGCDLO Oc1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H]1C[C@H](F)CN1c1cccnn1 ZINC000366346059 498884887 /nfs/dbraw/zinc/88/48/87/498884887.db2.gz SLODWHKTXFMRTM-STQMWFEESA-N 1 2 371.243 3.196 20 10 FGCDLO CCCOc1ccc(C[N@@H+]2C[C@@H](OC)C[C@@H]2c2nc(C3CC3)no2)c(O)c1 ZINC000372531583 499141020 /nfs/dbraw/zinc/14/10/20/499141020.db2.gz FUCLPBPETHJFFE-DLBZAZTESA-N 1 2 373.453 3.403 20 10 FGCDLO CCCOc1ccc(C[N@H+]2C[C@@H](OC)C[C@@H]2c2nc(C3CC3)no2)c(O)c1 ZINC000372531583 499141022 /nfs/dbraw/zinc/14/10/22/499141022.db2.gz FUCLPBPETHJFFE-DLBZAZTESA-N 1 2 373.453 3.403 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)Nc3ccc(F)nc3)CC2)cc1 ZINC000370686537 499244262 /nfs/dbraw/zinc/24/42/62/499244262.db2.gz WVXOQYROELLCNW-UHFFFAOYSA-N 1 2 358.417 3.362 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)c3ncnc4onc(C)c43)CC2)cc1 ZINC000375590462 499535631 /nfs/dbraw/zinc/53/56/31/499535631.db2.gz HXGVASGXQIDIEH-UHFFFAOYSA-N 1 2 353.426 3.040 20 10 FGCDLO COc1c(O)c(C[NH2+]Cc2ncoc2-c2ccccc2)ccc1[N+](=O)[O-] ZINC000375718446 499548377 /nfs/dbraw/zinc/54/83/77/499548377.db2.gz KFZIPHACKSWYSX-UHFFFAOYSA-N 1 2 355.350 3.254 20 10 FGCDLO COc1ccc(N2CC[NH+](CC(=O)Nc3cccc(C)c3C)CC2)cc1 ZINC000057548388 536694628 /nfs/dbraw/zinc/69/46/28/536694628.db2.gz SBLBADPHIUIJIH-UHFFFAOYSA-N 1 2 353.466 3.073 20 10 FGCDLO Oc1c(Br)cccc1C[NH2+]C[C@H]1CCN(CC(F)(F)F)C1 ZINC000048797158 695889406 /nfs/dbraw/zinc/88/94/06/695889406.db2.gz PGKADBBIGIVOQD-SNVBAGLBSA-N 1 2 367.209 3.129 20 10 FGCDLO CN(C)c1ccc(C[N@@H+]2CCOC3(CCOCC3)C2)c(C(F)(F)F)c1 ZINC000280362693 713759111 /nfs/dbraw/zinc/75/91/11/713759111.db2.gz UUAQOYTYYAPLHA-UHFFFAOYSA-N 1 2 358.404 3.153 20 10 FGCDLO CN(C)c1ccc(C[N@H+]2CCOC3(CCOCC3)C2)c(C(F)(F)F)c1 ZINC000280362693 713759114 /nfs/dbraw/zinc/75/91/14/713759114.db2.gz UUAQOYTYYAPLHA-UHFFFAOYSA-N 1 2 358.404 3.153 20 10 FGCDLO CC(C)(C)C(=O)N1CCC([NH2+]Cc2cccc(Br)c2O)CC1 ZINC000378884645 713974894 /nfs/dbraw/zinc/97/48/94/713974894.db2.gz KIRLWHQNFZGTOM-UHFFFAOYSA-N 1 2 369.303 3.281 20 10 FGCDLO C[C@H]([NH2+][C@H](CO)CC(F)F)c1cc(Br)cc(Cl)c1O ZINC000760052261 723035734 /nfs/dbraw/zinc/03/57/34/723035734.db2.gz QSRGMVXDYZXUSS-XPUUQOCRSA-N 1 2 358.610 3.475 20 10 FGCDLO C[C@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)c1cc(F)cc(F)c1O ZINC000756391182 722963860 /nfs/dbraw/zinc/96/38/60/722963860.db2.gz AUCSPZBKSWHXCB-NSHDSACASA-N 1 2 350.365 3.219 20 10 FGCDLO C[C@H]([NH2+]CCCNC(=O)C1CCC1)c1cc(Br)c(F)cc1O ZINC000756735761 722969301 /nfs/dbraw/zinc/96/93/01/722969301.db2.gz HUUFXGJSSBDAMG-JTQLQIEISA-N 1 2 373.266 3.251 20 10 FGCDLO NC(=O)[C@@H](C[NH2+]Cc1cccc(Cl)c1O)Cc1ccccc1Cl ZINC000757908232 722981117 /nfs/dbraw/zinc/98/11/17/722981117.db2.gz ZUQDUNLJDBMDRK-CYBMUJFWSA-N 1 2 353.249 3.133 20 10 FGCDLO CCO[C@H](C)c1nc(C[N@H+](C)Cc2cc3c(cc2O)OC[C@H]3O)cs1 ZINC000768465541 723658428 /nfs/dbraw/zinc/65/84/28/723658428.db2.gz IPKUQPVOHSQJJG-BDJLRTHQSA-N 1 2 364.467 3.004 20 10 FGCDLO CCO[C@H](C)c1nc(C[N@@H+](C)Cc2cc3c(cc2O)OC[C@H]3O)cs1 ZINC000768465541 723658429 /nfs/dbraw/zinc/65/84/29/723658429.db2.gz IPKUQPVOHSQJJG-BDJLRTHQSA-N 1 2 364.467 3.004 20 10 FGCDLO Cc1ccccc1CC(=O)N1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000769214767 723679673 /nfs/dbraw/zinc/67/96/73/723679673.db2.gz UZCNDNKEICSPJZ-UHFFFAOYSA-N 1 2 358.869 3.241 20 10 FGCDLO C[C@@H]([NH2+]CC1([S@@](C)=O)CCC1)c1cc(Br)c(F)cc1O ZINC000798004980 723897586 /nfs/dbraw/zinc/89/75/86/723897586.db2.gz REACCAMENGFBMZ-GSDQLPOLSA-N 1 2 364.280 3.246 20 10 FGCDLO Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2Cc2cc(Cl)cc(F)c2O)cn1 ZINC000775745270 724037291 /nfs/dbraw/zinc/03/72/91/724037291.db2.gz STYJISQOZZSWQA-GDBMZVCRSA-N 1 2 353.825 3.006 20 10 FGCDLO Cn1cc([C@H](O)C[C@H]2CCC[N@H+]2Cc2cc(Cl)cc(F)c2O)cn1 ZINC000775745270 724037297 /nfs/dbraw/zinc/03/72/97/724037297.db2.gz STYJISQOZZSWQA-GDBMZVCRSA-N 1 2 353.825 3.006 20 10 FGCDLO C[C@H]([NH2+]Cc1ncnn1C(C)(C)C)c1cc(Br)c(F)cc1O ZINC000800499933 724203440 /nfs/dbraw/zinc/20/34/40/724203440.db2.gz LBZXTBZSQJDDJM-VIFPVBQESA-N 1 2 371.254 3.491 20 10 FGCDLO CCn1cccc(C[NH2+][C@@H](C)c2cc(Br)cc(F)c2O)c1=O ZINC000788603324 725075146 /nfs/dbraw/zinc/07/51/46/725075146.db2.gz BJHGYOTYJVXKPD-JTQLQIEISA-N 1 2 369.234 3.326 20 10 FGCDLO CC[C@@H]([NH2+][C@@H](CC(C)C)C(=O)NCCOC)c1cccc(Cl)c1O ZINC000806155631 725118624 /nfs/dbraw/zinc/11/86/24/725118624.db2.gz SMYHWNDTCDXVGE-CVEARBPZSA-N 1 2 356.894 3.264 20 10 FGCDLO COCc1nc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cs1 ZINC000810253262 725300069 /nfs/dbraw/zinc/30/00/69/725300069.db2.gz PWPPWGZWHWYQCC-ZDUSSCGKSA-N 1 2 365.474 3.116 20 10 FGCDLO O=C1NCCC[N@@H+](Cc2cc(Cl)cc(F)c2O)[C@H]1Cc1ccccc1 ZINC000816641445 727184084 /nfs/dbraw/zinc/18/40/84/727184084.db2.gz SCTCAVZOQNRABR-KRWDZBQOSA-N 1 2 362.832 3.118 20 10 FGCDLO O=C1NCCC[N@H+](Cc2cc(Cl)cc(F)c2O)[C@H]1Cc1ccccc1 ZINC000816641445 727184088 /nfs/dbraw/zinc/18/40/88/727184088.db2.gz SCTCAVZOQNRABR-KRWDZBQOSA-N 1 2 362.832 3.118 20 10 FGCDLO CC(C)(C)[N@@H+]1CCc2nc(NC(=O)c3c(F)ccc(O)c3O)sc2C1 ZINC000822434275 729174871 /nfs/dbraw/zinc/17/48/71/729174871.db2.gz QWCJTAVFNDSNPS-UHFFFAOYSA-N 1 2 365.430 3.102 20 10 FGCDLO CC(C)(C)[N@H+]1CCc2nc(NC(=O)c3c(F)ccc(O)c3O)sc2C1 ZINC000822434275 729174873 /nfs/dbraw/zinc/17/48/73/729174873.db2.gz QWCJTAVFNDSNPS-UHFFFAOYSA-N 1 2 365.430 3.102 20 10 FGCDLO OC[C@]1(F)C[N@H+](Cc2cc(Cl)c(F)cc2O)C[C@@H]1c1ccccc1 ZINC000824636533 729352255 /nfs/dbraw/zinc/35/22/55/729352255.db2.gz RSOVWRROCNDSFK-RDTXWAMCSA-N 1 2 353.796 3.485 20 10 FGCDLO OC[C@]1(F)C[N@@H+](Cc2cc(Cl)c(F)cc2O)C[C@@H]1c1ccccc1 ZINC000824636533 729352256 /nfs/dbraw/zinc/35/22/56/729352256.db2.gz RSOVWRROCNDSFK-RDTXWAMCSA-N 1 2 353.796 3.485 20 10 FGCDLO COc1cccc(C[NH2+][C@@H](CCNC(=O)OC(C)(C)C)C(F)F)c1O ZINC000824673136 729354203 /nfs/dbraw/zinc/35/42/03/729354203.db2.gz NKWOEFGVSUIDRA-LBPRGKRZSA-N 1 2 360.401 3.039 20 10 FGCDLO CCOC(=O)[C@]1(C)CCC[C@H]1[NH2+]Cc1cccc(Br)c1O ZINC000827750262 729434192 /nfs/dbraw/zinc/43/41/92/729434192.db2.gz CCFRXNFGQRCSKZ-CZUORRHYSA-N 1 2 356.260 3.366 20 10 FGCDLO C[N@@H+]1CC[C@@H](NC(=O)Cc2ccc(N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000831452815 729643466 /nfs/dbraw/zinc/64/34/66/729643466.db2.gz UFTJGVZBTHTYKJ-MJGOQNOKSA-N 1 2 361.848 3.165 20 10 FGCDLO C[N@H+]1CC[C@@H](NC(=O)Cc2ccc(N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000831452815 729643467 /nfs/dbraw/zinc/64/34/67/729643467.db2.gz UFTJGVZBTHTYKJ-MJGOQNOKSA-N 1 2 361.848 3.165 20 10 FGCDLO C[C@H]([NH2+][C@H]1CCN(C(C)(C)C)C1=O)c1cc(Br)cc(F)c1O ZINC000842885836 730554095 /nfs/dbraw/zinc/55/40/95/730554095.db2.gz QBRLPZNOFNECTJ-ZANVPECISA-N 1 2 373.266 3.344 20 10 FGCDLO C[C@H]1C[C@@H]([NH2+]Cc2cc(Br)cc(Br)c2O)CO1 ZINC000843433453 730620776 /nfs/dbraw/zinc/62/07/76/730620776.db2.gz ZZGSOJGKIGKMFP-OIBJUYFYSA-N 1 2 365.065 3.184 20 10 FGCDLO COCC[N@H+](Cc1scnc1C)Cc1cc(F)c(N(C)C)cc1F ZINC000862351072 732813542 /nfs/dbraw/zinc/81/35/42/732813542.db2.gz FSXXZFBKRJLMOQ-UHFFFAOYSA-N 1 2 355.454 3.444 20 10 FGCDLO COCC[N@@H+](Cc1scnc1C)Cc1cc(F)c(N(C)C)cc1F ZINC000862351072 732813545 /nfs/dbraw/zinc/81/35/45/732813545.db2.gz FSXXZFBKRJLMOQ-UHFFFAOYSA-N 1 2 355.454 3.444 20 10 FGCDLO C[C@@H]1C[C@]2(CC[C@H](C[NH2+]Cc3cc(Br)cc(F)c3O)O2)CO1 ZINC000886328711 739244681 /nfs/dbraw/zinc/24/46/81/739244681.db2.gz PGIBMYWSPQKXNL-CKUKBARFSA-N 1 2 374.250 3.110 20 10 FGCDLO CCOC(CC[NH2+]Cc1cc(Br)cc(F)c1O)OCC ZINC000883101095 737523539 /nfs/dbraw/zinc/52/35/39/737523539.db2.gz VTPNFCZNKOUXMW-UHFFFAOYSA-N 1 2 350.228 3.173 20 10 FGCDLO C[S@](=O)[C@@H]1CCC[C@H]([NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000883166963 737531529 /nfs/dbraw/zinc/53/15/29/737531529.db2.gz MRSISCXTEDEFNH-ZBUHCNDUSA-N 1 2 364.280 3.073 20 10 FGCDLO CCO/C=C/[C@](O)(C[NH2+]Cc1cc(Cl)cc(F)c1O)C(F)(F)F ZINC000895709607 742444163 /nfs/dbraw/zinc/44/41/63/742444163.db2.gz HDBCQJFRKOPBTO-OOPCZODUSA-N 1 2 357.731 3.118 20 10 FGCDLO Oc1c(F)cc(Br)cc1C[NH2+]CCOC1CCSCC1 ZINC000898434785 742793812 /nfs/dbraw/zinc/79/38/12/742793812.db2.gz QEJDTZGATZBFJQ-UHFFFAOYSA-N 1 2 364.280 3.296 20 10 FGCDLO CN(C)c1ccc(C[N@H+](CCS(=O)(=O)c2ccccc2)C2CC2)cc1 ZINC000917074312 758173712 /nfs/dbraw/zinc/17/37/12/758173712.db2.gz XBOUVHYHDRTAPG-UHFFFAOYSA-N 1 2 358.507 3.191 20 10 FGCDLO CN(C)c1ccc(C[N@@H+](CCS(=O)(=O)c2ccccc2)C2CC2)cc1 ZINC000917074312 758173719 /nfs/dbraw/zinc/17/37/19/758173719.db2.gz XBOUVHYHDRTAPG-UHFFFAOYSA-N 1 2 358.507 3.191 20 10 FGCDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N(C)Cc3ccccc3O)n2)C1 ZINC000047377862 494694042 /nfs/dbraw/zinc/69/40/42/494694042.db2.gz IARJUGPUKNMGJS-CQSZACIVSA-N 1 2 374.510 3.166 20 10 FGCDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N(C)Cc3ccccc3O)n2)C1 ZINC000047377862 494694054 /nfs/dbraw/zinc/69/40/54/494694054.db2.gz IARJUGPUKNMGJS-CQSZACIVSA-N 1 2 374.510 3.166 20 10 FGCDLO Cn1ccnc1[C@H](O)[C@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000092011281 494754477 /nfs/dbraw/zinc/75/44/77/494754477.db2.gz NNHDSWIZOQAQBG-MEDUHNTESA-N 1 2 370.280 3.378 20 10 FGCDLO Cn1ccnc1[C@H](O)[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000092011281 494754480 /nfs/dbraw/zinc/75/44/80/494754480.db2.gz NNHDSWIZOQAQBG-MEDUHNTESA-N 1 2 370.280 3.378 20 10 FGCDLO Oc1c(Cl)cc(Cl)cc1C[N@@H+]1CCCN(c2ncccn2)CC1 ZINC000093056566 494818517 /nfs/dbraw/zinc/81/85/17/494818517.db2.gz PCXCFNINKLPYJC-UHFFFAOYSA-N 1 2 353.253 3.201 20 10 FGCDLO Oc1c(Cl)cc(Cl)cc1C[N@H+]1CCCN(c2ncccn2)CC1 ZINC000093056566 494818524 /nfs/dbraw/zinc/81/85/24/494818524.db2.gz PCXCFNINKLPYJC-UHFFFAOYSA-N 1 2 353.253 3.201 20 10 FGCDLO CCCOc1ccc(C[NH2+]Cc2nc(COc3ccccc3)n[nH]2)c(O)c1 ZINC000185756844 495714078 /nfs/dbraw/zinc/71/40/78/495714078.db2.gz DVHPCGFOAMQMGT-UHFFFAOYSA-N 1 2 368.437 3.168 20 10 FGCDLO CCCOc1ccc(C[NH2+]Cc2nnc(COc3ccccc3)[nH]2)c(O)c1 ZINC000185756844 495714082 /nfs/dbraw/zinc/71/40/82/495714082.db2.gz DVHPCGFOAMQMGT-UHFFFAOYSA-N 1 2 368.437 3.168 20 10 FGCDLO COc1cc(OC)cc([C@H]([NH2+]Cc2cc(F)ccc2O)c2nccn2C)c1 ZINC000180913293 496196904 /nfs/dbraw/zinc/19/69/04/496196904.db2.gz OOCYKKOYMWMAMI-IBGZPJMESA-N 1 2 371.412 3.161 20 10 FGCDLO C[C@H]1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000153847245 496600150 /nfs/dbraw/zinc/60/01/50/496600150.db2.gz LYDUNBWGVIWYPY-PXNSSMCTSA-N 1 2 365.481 3.052 20 10 FGCDLO C[C@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273435713 496805069 /nfs/dbraw/zinc/80/50/69/496805069.db2.gz WXRQSIRIXFJNSM-AWEZNQCLSA-N 1 2 356.426 3.011 20 10 FGCDLO CCN(CC)c1ccc(C[NH+]2CCC(S(=O)(=O)CC)CC2)cc1F ZINC000195162082 496839130 /nfs/dbraw/zinc/83/91/30/496839130.db2.gz DEWJUVIROIJXIK-UHFFFAOYSA-N 1 2 356.507 3.071 20 10 FGCDLO C[C@H]([NH2+]Cc1ccc(N2CCO[C@@H](C)C2)nc1)c1ccc(F)c(F)c1O ZINC000191205356 497743808 /nfs/dbraw/zinc/74/38/08/497743808.db2.gz VYANVGXCCSWPJZ-STQMWFEESA-N 1 2 363.408 3.141 20 10 FGCDLO COC(=O)/C=C\c1ccc(N2CC(C)(C)[C@H]2c2[nH+]ccn2C)c([N+](=O)[O-])c1 ZINC000296190647 497950152 /nfs/dbraw/zinc/95/01/52/497950152.db2.gz DOALMGZEOAVOIW-BQLWYNFJSA-N 1 2 370.409 3.102 20 10 FGCDLO CC[C@H]([NH2+][C@H](C(N)=O)c1ccccn1)c1cc(Cl)cc(Cl)c1O ZINC000297407629 498438560 /nfs/dbraw/zinc/43/85/60/498438560.db2.gz SZDPRWHMVACEBW-JSGCOSHPSA-N 1 2 354.237 3.361 20 10 FGCDLO CS(=O)(=O)C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1ccccc1 ZINC000293751953 498477700 /nfs/dbraw/zinc/47/77/00/498477700.db2.gz YESDTIBQBHDJBF-OAHLLOKOSA-N 1 2 357.834 3.060 20 10 FGCDLO Oc1ccc(F)c(C[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)c1F ZINC000294244429 498631372 /nfs/dbraw/zinc/63/13/72/498631372.db2.gz MYVICFCJAOGLBX-UHFFFAOYSA-N 1 2 366.383 3.060 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(NC(=O)C3CCC3)CC2)c1O ZINC000365878698 498683161 /nfs/dbraw/zinc/68/31/61/498683161.db2.gz CWODAWRUJJAEKC-UHFFFAOYSA-N 1 2 364.873 3.129 20 10 FGCDLO C[C@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1)c1ccc(Cl)c(Cl)c1O ZINC000363864155 499030504 /nfs/dbraw/zinc/03/05/04/499030504.db2.gz CLKFERKNXQIIRH-WDEREUQCSA-N 1 2 355.269 3.362 20 10 FGCDLO C[C@H]([NH2+][C@@H]1CCN(C(=O)Cc2ccccc2)C1)c1ccc(F)c(F)c1O ZINC000368488890 499301245 /nfs/dbraw/zinc/30/12/45/499301245.db2.gz UZAFAJRMOHCNDT-DZGCQCFKSA-N 1 2 360.404 3.165 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)NCC3(C4CC4)CC3)CC2)cc1 ZINC000372237864 499411757 /nfs/dbraw/zinc/41/17/57/499411757.db2.gz URCNLYQXQLMEPV-UHFFFAOYSA-N 1 2 357.498 3.496 20 10 FGCDLO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000378242683 499493619 /nfs/dbraw/zinc/49/36/19/499493619.db2.gz OMJHDHKJQHLJLA-GOSISDBHSA-N 1 2 369.513 3.367 20 10 FGCDLO C[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C1CC1)c1cc(Br)cc(F)c1O ZINC000375302504 499504905 /nfs/dbraw/zinc/50/49/05/499504905.db2.gz KVTMZNKLEZDXOI-IIRLODAESA-N 1 2 371.250 3.002 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)N[C@@H](C)C(F)(F)F)CC2)cc1 ZINC000377535588 499701578 /nfs/dbraw/zinc/70/15/78/499701578.db2.gz JEULOGOPZLRSRL-LBPRGKRZSA-N 1 2 359.392 3.256 20 10 FGCDLO CCn1ncc(C[NH2+][C@@H](C)c2cc(Br)cc(Cl)c2O)n1 ZINC000527924047 504000565 /nfs/dbraw/zinc/00/05/65/504000565.db2.gz NUMLQIXBTBTENI-QMMMGPOBSA-N 1 2 359.655 3.270 20 10 FGCDLO CCN(CC)C(=O)C1CC[NH+](Cc2cc(Cl)cc(C(C)=O)c2O)CC1 ZINC000750046033 722752756 /nfs/dbraw/zinc/75/27/56/722752756.db2.gz YVIBMYSVQBXYQP-UHFFFAOYSA-N 1 2 366.889 3.329 20 10 FGCDLO C[C@@H]([NH2+][C@H](C(N)=O)c1ccccc1)c1cc(Br)cc(F)c1O ZINC000756379764 722963601 /nfs/dbraw/zinc/96/36/01/722963601.db2.gz BMRJFMFNVASODH-OTYXRUKQSA-N 1 2 367.218 3.171 20 10 FGCDLO C[C@H](Cc1cnccn1)[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000756494376 722965570 /nfs/dbraw/zinc/96/55/70/722965570.db2.gz LQZUGTKDWFVTTJ-ZJUUUORDSA-N 1 2 354.223 3.366 20 10 FGCDLO C[C@H]([NH2+]CCN(C)CC(F)(F)F)c1cc(Br)c(F)cc1O ZINC000756568498 722966991 /nfs/dbraw/zinc/96/69/91/722966991.db2.gz GMAQSWHTJXKNQO-QMMMGPOBSA-N 1 2 373.188 3.439 20 10 FGCDLO C[C@H](CC[S@](C)=O)[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000756743945 722969418 /nfs/dbraw/zinc/96/94/18/722969418.db2.gz XVXPMVNACLXEPX-LQJGKPAFSA-N 1 2 352.269 3.102 20 10 FGCDLO C[C@H]([NH2+]C[C@](C)(O)C(F)(F)F)c1cc(Br)cc(F)c1O ZINC000756785084 722970101 /nfs/dbraw/zinc/97/01/01/722970101.db2.gz RXDDMNIZQAQGGG-KGFZYKRKSA-N 1 2 360.145 3.258 20 10 FGCDLO O=C(Nc1cccc(C[NH+]2CCSCC2)c1)c1c(F)ccc(O)c1O ZINC000789964028 723089271 /nfs/dbraw/zinc/08/92/71/723089271.db2.gz QHCJKPXTTPFPSC-UHFFFAOYSA-N 1 2 362.426 3.038 20 10 FGCDLO COCCn1cc2c(n1)[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)CCC2 ZINC000761227275 723134784 /nfs/dbraw/zinc/13/47/84/723134784.db2.gz YVGHOMTVNSVNID-OAHLLOKOSA-N 1 2 353.825 3.195 20 10 FGCDLO OC[C@H](C[NH2+]Cc1cc(Cl)cc(F)c1O)Cc1ccc(F)c(F)c1 ZINC000792193089 723320123 /nfs/dbraw/zinc/32/01/23/723320123.db2.gz QKEFKMFLNUIZKD-NSHDSACASA-N 1 2 359.775 3.404 20 10 FGCDLO O=C1[C@H]([NH2+]Cc2cc(Cl)cc(F)c2O)CCN1Cc1ccc(F)cc1 ZINC000792192876 723320253 /nfs/dbraw/zinc/32/02/53/723320253.db2.gz PBCBERPIPSAIEA-MRXNPFEDSA-N 1 2 366.795 3.215 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)c1O ZINC000796606036 723646261 /nfs/dbraw/zinc/64/62/61/723646261.db2.gz ATONETWDKREANJ-KPZWWZAWSA-N 1 2 353.846 3.018 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)c1O ZINC000796606036 723646262 /nfs/dbraw/zinc/64/62/62/723646262.db2.gz ATONETWDKREANJ-KPZWWZAWSA-N 1 2 353.846 3.018 20 10 FGCDLO CC[NH+]1CCN(c2cccc(NC(=O)c3cccc(Cl)c3O)c2)CC1 ZINC000771637110 723739335 /nfs/dbraw/zinc/73/93/35/723739335.db2.gz ONUFCQQUXAQVBZ-UHFFFAOYSA-N 1 2 359.857 3.440 20 10 FGCDLO Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3cc(F)cc(F)c3O)C2)n(C)n1 ZINC000774451583 723896099 /nfs/dbraw/zinc/89/60/99/723896099.db2.gz AXYRCJIMPSBRCS-GXTWGEPZSA-N 1 2 350.413 3.032 20 10 FGCDLO OC[C@H](C[NH2+]Cc1cccc(Cl)c1O)Cc1cc(F)c(F)c(F)c1 ZINC000775168723 723967500 /nfs/dbraw/zinc/96/75/00/723967500.db2.gz RGNMTRIYYDTUHD-NSHDSACASA-N 1 2 359.775 3.404 20 10 FGCDLO Cc1cc(Br)cc(C[N@H+]2CCC[C@H]2C(=O)OC(C)C)c1O ZINC000775710622 724028882 /nfs/dbraw/zinc/02/88/82/724028882.db2.gz NOBCRFFDYAKDNC-AWEZNQCLSA-N 1 2 356.260 3.379 20 10 FGCDLO Cc1cc(Br)cc(C[N@@H+]2CCC[C@H]2C(=O)OC(C)C)c1O ZINC000775710622 724028888 /nfs/dbraw/zinc/02/88/88/724028888.db2.gz NOBCRFFDYAKDNC-AWEZNQCLSA-N 1 2 356.260 3.379 20 10 FGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]CC1(N2CCOCC2)CCCCC1 ZINC000775832160 724068644 /nfs/dbraw/zinc/06/86/44/724068644.db2.gz LXPTYXPNBGCSTN-UHFFFAOYSA-N 1 2 356.869 3.309 20 10 FGCDLO C[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)c1cccc(NS(C)(=O)=O)c1 ZINC000776071103 724106017 /nfs/dbraw/zinc/10/60/17/724106017.db2.gz PGHNDJSQNSZWOF-JTQLQIEISA-N 1 2 372.849 3.407 20 10 FGCDLO C[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)[C@H](O)c1ccc2c(c1)OCO2 ZINC000787322600 725025124 /nfs/dbraw/zinc/02/51/24/725025124.db2.gz HVDDIUBPQLTVTP-FVMDXXJSSA-N 1 2 353.777 3.125 20 10 FGCDLO CC[C@H]([NH2+]CC(=O)NCc1ccc(OC)cc1)c1cccc(Cl)c1O ZINC000806135408 725117591 /nfs/dbraw/zinc/11/75/91/725117591.db2.gz SRSQPQAAAABUMW-KRWDZBQOSA-N 1 2 362.857 3.411 20 10 FGCDLO CCN(CC)c1ccc(C[NH2+]Cc2ncc(C3OCCO3)s2)cc1F ZINC000809619805 725252843 /nfs/dbraw/zinc/25/28/43/725252843.db2.gz YDJHNNBIXCFTFL-UHFFFAOYSA-N 1 2 365.474 3.464 20 10 FGCDLO C[C@@H]([NH2+][C@H]1CC(=O)N(c2ccccc2F)C1)c1cc(F)cc(F)c1O ZINC000812741164 726807371 /nfs/dbraw/zinc/80/73/71/726807371.db2.gz RQURDTYFCROVAP-PWSUYJOCSA-N 1 2 350.340 3.266 20 10 FGCDLO Cc1nccnc1CC[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000815650954 727088606 /nfs/dbraw/zinc/08/86/06/727088606.db2.gz GCULUYPASHLWTC-VIFPVBQESA-N 1 2 354.223 3.286 20 10 FGCDLO O=C(/C=C\c1ccccc1)NCCC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816599997 727179389 /nfs/dbraw/zinc/17/93/89/727179389.db2.gz HFUMDFHYWWUWJL-FPLPWBNLSA-N 1 2 362.832 3.494 20 10 FGCDLO CC[N@H+](Cc1nc(C(F)F)no1)Cc1cc(Br)ccc1O ZINC000822660221 729206197 /nfs/dbraw/zinc/20/61/97/729206197.db2.gz ZJLNGPFPYSTXTA-UHFFFAOYSA-N 1 2 362.174 3.497 20 10 FGCDLO CC[N@@H+](Cc1nc(C(F)F)no1)Cc1cc(Br)ccc1O ZINC000822660221 729206199 /nfs/dbraw/zinc/20/61/99/729206199.db2.gz ZJLNGPFPYSTXTA-UHFFFAOYSA-N 1 2 362.174 3.497 20 10 FGCDLO Cn1ncc2c1CC(C)(C)C[N@H+](Cc1cccc(Br)c1O)C2 ZINC000828017909 729438587 /nfs/dbraw/zinc/43/85/87/729438587.db2.gz BMVMTKKYOARTMH-UHFFFAOYSA-N 1 2 364.287 3.473 20 10 FGCDLO Cn1ncc2c1CC(C)(C)C[N@@H+](Cc1cccc(Br)c1O)C2 ZINC000828017909 729438588 /nfs/dbraw/zinc/43/85/88/729438588.db2.gz BMVMTKKYOARTMH-UHFFFAOYSA-N 1 2 364.287 3.473 20 10 FGCDLO CC1(c2nnc(C3CCOCC3)o2)C[NH+](Cc2cccc(Cl)c2O)C1 ZINC000828035449 729438937 /nfs/dbraw/zinc/43/89/37/729438937.db2.gz HKMPFDWTCVTTHS-UHFFFAOYSA-N 1 2 363.845 3.096 20 10 FGCDLO OCC1([NH2+]Cc2cccc(Br)c2O)C2CC3CC(C2)CC1C3 ZINC000840963252 730198441 /nfs/dbraw/zinc/19/84/41/730198441.db2.gz MNYNFNQCJAIYMS-UHFFFAOYSA-N 1 2 366.299 3.432 20 10 FGCDLO COc1cc(Br)cc(C[N@@H+]2C[C@@H](C)OC3(CCC3)C2)c1O ZINC000843435561 730621253 /nfs/dbraw/zinc/62/12/53/730621253.db2.gz PGILKONBAIUTFS-LLVKDONJSA-N 1 2 356.260 3.307 20 10 FGCDLO COc1cc(Br)cc(C[N@H+]2C[C@@H](C)OC3(CCC3)C2)c1O ZINC000843435561 730621256 /nfs/dbraw/zinc/62/12/56/730621256.db2.gz PGILKONBAIUTFS-LLVKDONJSA-N 1 2 356.260 3.307 20 10 FGCDLO COC(=O)C1=CC[C@@H]([NH2+][C@@H](C)c2cc(Br)c(F)cc2O)C1 ZINC000858473605 732218277 /nfs/dbraw/zinc/21/82/77/732218277.db2.gz PILSMIJEINNABN-WCBMZHEXSA-N 1 2 358.207 3.206 20 10 FGCDLO CC(C)[N@H+](Cc1nc(Br)nn1C)Cc1ccc(N(C)C)cc1 ZINC000893947999 742217782 /nfs/dbraw/zinc/21/77/82/742217782.db2.gz OPSTXFMUYNOTOR-UHFFFAOYSA-N 1 2 366.307 3.054 20 10 FGCDLO CC(C)[N@@H+](Cc1nc(Br)nn1C)Cc1ccc(N(C)C)cc1 ZINC000893947999 742217786 /nfs/dbraw/zinc/21/77/86/742217786.db2.gz OPSTXFMUYNOTOR-UHFFFAOYSA-N 1 2 366.307 3.054 20 10 FGCDLO Oc1c(F)cc(Br)cc1C[NH2+][C@@H](c1ncccn1)C1CC1 ZINC000922578289 758955166 /nfs/dbraw/zinc/95/51/66/758955166.db2.gz ZWFRHCIXFSYUPE-CYBMUJFWSA-N 1 2 352.207 3.325 20 10 FGCDLO Cn1nc(C[NH2+]Cc2cc(Br)cc(F)c2O)cc1C1CC1 ZINC000922956135 759039381 /nfs/dbraw/zinc/03/93/81/759039381.db2.gz PTSCDESSTPFBNK-UHFFFAOYSA-N 1 2 354.223 3.195 20 10 FGCDLO CCS(=O)(=O)c1ccccc1CC[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000926910911 759846263 /nfs/dbraw/zinc/84/62/63/759846263.db2.gz XJYQNLHTHYNPKL-LBPRGKRZSA-N 1 2 369.433 3.357 20 10 FGCDLO Cc1ccn2cc(CNC(=O)N(C)Cc3ccc(N(C)C)cc3)[nH+]c2c1 ZINC000080101714 494593842 /nfs/dbraw/zinc/59/38/42/494593842.db2.gz XMBPRGMDIXEZQN-UHFFFAOYSA-N 1 2 351.454 3.050 20 10 FGCDLO CCCCc1noc([C@@H](C)[N@H+](C)Cc2ccc(N3CCOCC3)cc2)n1 ZINC000133721570 495051872 /nfs/dbraw/zinc/05/18/72/495051872.db2.gz QIVBRDRZLWUOKB-MRXNPFEDSA-N 1 2 358.486 3.442 20 10 FGCDLO CCCCc1noc([C@@H](C)[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)n1 ZINC000133721570 495051874 /nfs/dbraw/zinc/05/18/74/495051874.db2.gz QIVBRDRZLWUOKB-MRXNPFEDSA-N 1 2 358.486 3.442 20 10 FGCDLO Cc1cc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)c(C)n1-c1ccccn1 ZINC000119716818 495226043 /nfs/dbraw/zinc/22/60/43/495226043.db2.gz WVZVLTRGOUOETK-UHFFFAOYSA-N 1 2 367.478 3.186 20 10 FGCDLO Cc1cc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)c(C)n1-c1ccccn1 ZINC000119716818 495226046 /nfs/dbraw/zinc/22/60/46/495226046.db2.gz WVZVLTRGOUOETK-UHFFFAOYSA-N 1 2 367.478 3.186 20 10 FGCDLO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000125901640 495515950 /nfs/dbraw/zinc/51/59/50/495515950.db2.gz GMMFXSXCTHSJNW-CQSZACIVSA-N 1 2 364.486 3.488 20 10 FGCDLO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000125901640 495515953 /nfs/dbraw/zinc/51/59/53/495515953.db2.gz GMMFXSXCTHSJNW-CQSZACIVSA-N 1 2 364.486 3.488 20 10 FGCDLO CC(=O)N1CC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2O)c2ccc(F)cc2C1 ZINC000185350258 495542877 /nfs/dbraw/zinc/54/28/77/495542877.db2.gz HEXJIXNNVIBQSG-GOSISDBHSA-N 1 2 373.384 3.023 20 10 FGCDLO C[C@H]([NH2+]Cc1cccc(Cl)c1O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000180084622 495850763 /nfs/dbraw/zinc/85/07/63/495850763.db2.gz ARRFPZQIONUEOT-LBPRGKRZSA-N 1 2 368.886 3.147 20 10 FGCDLO COCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(Cl)c(Cl)c1O)CC2 ZINC000186103501 495856563 /nfs/dbraw/zinc/85/65/63/495856563.db2.gz KKBATDGNKZCYGY-ZJUUUORDSA-N 1 2 371.268 3.103 20 10 FGCDLO COCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1O)CC2 ZINC000186103480 495857076 /nfs/dbraw/zinc/85/70/76/495857076.db2.gz KKBATDGNKZCYGY-UWVGGRQHSA-N 1 2 371.268 3.103 20 10 FGCDLO O=C(/C=C/c1ccc(O)c(O)c1)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000180665564 496095736 /nfs/dbraw/zinc/09/57/36/496095736.db2.gz IDHAWUOPNXRSSQ-JXMROGBWSA-N 1 2 367.449 3.203 20 10 FGCDLO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3cc(Cl)cc(C(C)=O)c3O)[C@H]2C1 ZINC000158371224 496687467 /nfs/dbraw/zinc/68/74/67/496687467.db2.gz RIPLBFQVSLPREV-HYVNUMGLSA-N 1 2 353.846 3.017 20 10 FGCDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3cc(Cl)cc(C(C)=O)c3O)[C@H]2C1 ZINC000158371224 496687473 /nfs/dbraw/zinc/68/74/73/496687473.db2.gz RIPLBFQVSLPREV-HYVNUMGLSA-N 1 2 353.846 3.017 20 10 FGCDLO C[C@H]([NH2+]Cc1cccnc1OCC(F)F)c1cc([N+](=O)[O-])ccc1O ZINC000273480082 496818294 /nfs/dbraw/zinc/81/82/94/496818294.db2.gz LVQDFSPTSQONKS-JTQLQIEISA-N 1 2 353.325 3.190 20 10 FGCDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000264511498 496917256 /nfs/dbraw/zinc/91/72/56/496917256.db2.gz SLLJPVMSIWYBNE-KRWDZBQOSA-N 1 2 355.486 3.007 20 10 FGCDLO Cc1nc([C@H]2CCC[N@H+]2CC(=O)N(C)Cc2ccc(N(C)C)cc2)cs1 ZINC000189769194 497238035 /nfs/dbraw/zinc/23/80/35/497238035.db2.gz JGVREKVSFMVMNV-LJQANCHMSA-N 1 2 372.538 3.313 20 10 FGCDLO Cc1nc([C@H]2CCC[N@@H+]2CC(=O)N(C)Cc2ccc(N(C)C)cc2)cs1 ZINC000189769194 497238043 /nfs/dbraw/zinc/23/80/43/497238043.db2.gz JGVREKVSFMVMNV-LJQANCHMSA-N 1 2 372.538 3.313 20 10 FGCDLO O=CN1CCC[N@H+](CC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)CC1 ZINC000273024429 497786256 /nfs/dbraw/zinc/78/62/56/497786256.db2.gz XFSKLUKQMSZKJD-GHVJWSGMSA-N 1 2 365.437 3.205 20 10 FGCDLO O=CN1CCC[N@@H+](CC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)CC1 ZINC000273024429 497786259 /nfs/dbraw/zinc/78/62/59/497786259.db2.gz XFSKLUKQMSZKJD-GHVJWSGMSA-N 1 2 365.437 3.205 20 10 FGCDLO CN(C)c1ccc(C2=CCN(C(=O)c3cccc(-n4cc[nH+]c4)c3)C2)cc1 ZINC000364722176 498112560 /nfs/dbraw/zinc/11/25/60/498112560.db2.gz JWNKQVAGJGEVRQ-UHFFFAOYSA-N 1 2 358.445 3.478 20 10 FGCDLO COCCn1ncc2c1[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1O)CCC2 ZINC000364798665 498149287 /nfs/dbraw/zinc/14/92/87/498149287.db2.gz ZPWLRELSZGQCOB-NHYWBVRUSA-N 1 2 351.397 3.242 20 10 FGCDLO COc1c(O)c(C[NH2+][C@@H]2c3ccccc3CC[C@@H]2N(C)C)ccc1[N+](=O)[O-] ZINC000365324091 498405512 /nfs/dbraw/zinc/40/55/12/498405512.db2.gz MSEMCWRKAPFPQR-FUHWJXTLSA-N 1 2 371.437 3.016 20 10 FGCDLO COc1c(O)c(CN[C@@H]2c3ccccc3CC[C@@H]2[NH+](C)C)ccc1[N+](=O)[O-] ZINC000365324091 498405519 /nfs/dbraw/zinc/40/55/19/498405519.db2.gz MSEMCWRKAPFPQR-FUHWJXTLSA-N 1 2 371.437 3.016 20 10 FGCDLO C[C@H]([NH2+][C@@H](C(N)=O)c1ccccn1)c1ccc(N2CCCCC2)c(F)c1 ZINC000297445980 498451342 /nfs/dbraw/zinc/45/13/42/498451342.db2.gz WOUZWXXFCRATMG-IFXJQAMLSA-N 1 2 356.445 3.088 20 10 FGCDLO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000363077352 498639228 /nfs/dbraw/zinc/63/92/28/498639228.db2.gz OEKQIVNAEABVRA-GOSISDBHSA-N 1 2 352.482 3.094 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)c3n[nH]c4ccccc43)CC2)cc1 ZINC000363446253 498825467 /nfs/dbraw/zinc/82/54/67/498825467.db2.gz IGLQIFKVDGEUAF-UHFFFAOYSA-N 1 2 364.449 3.313 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)c3cccnc3Cl)CC2)cc1 ZINC000363632209 498915966 /nfs/dbraw/zinc/91/59/66/498915966.db2.gz ZGWQRQXMHCPSQU-UHFFFAOYSA-N 1 2 359.857 3.485 20 10 FGCDLO C[C@H]([NH2+]Cc1nnc2n1C[C@@H](C(F)(F)F)CC2)c1ccc(F)cc1O ZINC000369902053 499148643 /nfs/dbraw/zinc/14/86/43/499148643.db2.gz KCEQSPOANMNRIJ-UWVGGRQHSA-N 1 2 358.339 3.098 20 10 FGCDLO O=S1(=O)C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2O)c2ccccc21 ZINC000370355713 499212353 /nfs/dbraw/zinc/21/23/53/499212353.db2.gz RUARPRFAKNZDHV-ZDUSSCGKSA-N 1 2 358.246 3.317 20 10 FGCDLO CC1CCN(c2ccc(CNC(=O)N[C@@H]3CCc4[nH+]c[nH]c4C3)cc2)CC1 ZINC000368628398 499315362 /nfs/dbraw/zinc/31/53/62/499315362.db2.gz NIMNPSMLPVHRMQ-QGZVFWFLSA-N 1 2 367.497 3.003 20 10 FGCDLO CC1CCN(c2ccc(CNC(=O)N[C@@H]3CCc4[nH]c[nH+]c4C3)cc2)CC1 ZINC000368628398 499315364 /nfs/dbraw/zinc/31/53/64/499315364.db2.gz NIMNPSMLPVHRMQ-QGZVFWFLSA-N 1 2 367.497 3.003 20 10 FGCDLO Cc1noc([C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)c2ccccc2)n1 ZINC000369115358 499367011 /nfs/dbraw/zinc/36/70/11/499367011.db2.gz FJLNKJICQSXXCZ-FQEVSTJZSA-N 1 2 364.449 3.094 20 10 FGCDLO CN(C)c1ccc(C[NH2+]Cc2nnc(-c3ccncc3F)s2)cc1F ZINC000373472358 499471960 /nfs/dbraw/zinc/47/19/60/499471960.db2.gz DXJYOIGJKBUTNQ-UHFFFAOYSA-N 1 2 361.421 3.234 20 10 FGCDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NCc1ccc2c(c1)CCN2C ZINC000373773893 499487327 /nfs/dbraw/zinc/48/73/27/499487327.db2.gz VPDQSTVIEGJUDM-IBGZPJMESA-N 1 2 367.497 3.332 20 10 FGCDLO Cc1cc(Br)cc(C[NH2+][C@H](c2nnc[nH]2)c2ccccc2)c1O ZINC000375397071 499514170 /nfs/dbraw/zinc/51/41/70/499514170.db2.gz ZOIYVGOMPDYQEP-HNNXBMFYSA-N 1 2 373.254 3.460 20 10 FGCDLO CCn1nncc1C[NH2+][C@H](C)c1cc(Br)cc(Cl)c1O ZINC000527913556 503996742 /nfs/dbraw/zinc/99/67/42/503996742.db2.gz AONDXYWHURUMAU-MRVPVSSYSA-N 1 2 359.655 3.270 20 10 FGCDLO COc1ccc(N2CC[NH+](Cc3cn4cc(Cl)ccc4n3)CC2)cc1 ZINC000007049454 695561921 /nfs/dbraw/zinc/56/19/21/695561921.db2.gz PTPGSRZGONARBQ-UHFFFAOYSA-N 1 2 356.857 3.319 20 10 FGCDLO O=C(Cc1ccccc1F)N1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000092535792 700437316 /nfs/dbraw/zinc/43/73/16/700437316.db2.gz WWUUJHBUSGPFLY-UHFFFAOYSA-N 1 2 362.832 3.072 20 10 FGCDLO C[C@@H]([NH2+][C@@H]1CCN(CC2CC2)C1)c1cc(Br)c(F)cc1O ZINC000756555024 722966696 /nfs/dbraw/zinc/96/66/96/722966696.db2.gz PTHWESABNZMLBV-ZYHUDNBSSA-N 1 2 357.267 3.429 20 10 FGCDLO C[C@H]([NH2+][C@H]1CCO[C@]2(CCOC2)C1)c1cc(Br)c(F)cc1O ZINC000756782922 722970004 /nfs/dbraw/zinc/97/00/04/722970004.db2.gz VWZVOMXFMRPVSK-XMZIXOGTSA-N 1 2 374.250 3.283 20 10 FGCDLO CCS(=O)(=O)C[C@H](C)[N@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792821230 723371678 /nfs/dbraw/zinc/37/16/78/723371678.db2.gz BZWRAOILZMDOIP-LBPRGKRZSA-N 1 2 366.449 3.026 20 10 FGCDLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792821230 723371680 /nfs/dbraw/zinc/37/16/80/723371680.db2.gz BZWRAOILZMDOIP-LBPRGKRZSA-N 1 2 366.449 3.026 20 10 FGCDLO COc1cccc(O)c1C[NH+]1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000768236058 723651295 /nfs/dbraw/zinc/65/12/95/723651295.db2.gz DQKWMSRKWNXYSV-UHFFFAOYSA-N 1 2 360.841 3.012 20 10 FGCDLO CC[C@@H]1C[N@H+](Cc2cccc(Br)c2O)[C@@H](CC)CN1C(C)=O ZINC000769499207 723687457 /nfs/dbraw/zinc/68/74/57/723687457.db2.gz OSKRZCMINRZAII-LSDHHAIUSA-N 1 2 369.303 3.376 20 10 FGCDLO CC[C@@H]1C[N@@H+](Cc2cccc(Br)c2O)[C@@H](CC)CN1C(C)=O ZINC000769499207 723687458 /nfs/dbraw/zinc/68/74/58/723687458.db2.gz OSKRZCMINRZAII-LSDHHAIUSA-N 1 2 369.303 3.376 20 10 FGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC000770667607 723718724 /nfs/dbraw/zinc/71/87/24/723718724.db2.gz RSVLVWZJPYOILP-UHFFFAOYSA-N 1 2 350.821 3.500 20 10 FGCDLO CC[C@@H]([NH2+]C1CCN(CCC(=O)N(C)C)CC1)c1cc(Cl)ccc1O ZINC000775504065 723996666 /nfs/dbraw/zinc/99/66/66/723996666.db2.gz RPOWRFOQBOPNER-QGZVFWFLSA-N 1 2 367.921 3.029 20 10 FGCDLO COc1cc(O)c(C[N@@H+]2CCCC[C@@H]2C(=O)OC(C)(C)C)cc1OC ZINC000775727228 724032056 /nfs/dbraw/zinc/03/20/56/724032056.db2.gz MZYCIQMSFJXVAC-CQSZACIVSA-N 1 2 351.443 3.106 20 10 FGCDLO COc1cc(O)c(C[N@H+]2CCCC[C@@H]2C(=O)OC(C)(C)C)cc1OC ZINC000775727228 724032057 /nfs/dbraw/zinc/03/20/57/724032057.db2.gz MZYCIQMSFJXVAC-CQSZACIVSA-N 1 2 351.443 3.106 20 10 FGCDLO C[C@H]1C[N@@H+](C2CCOCC2)CCN1Cc1cc(Cl)cc(Cl)c1O ZINC000787303446 725024186 /nfs/dbraw/zinc/02/41/86/725024186.db2.gz OQGPGXBFQSROPF-LBPRGKRZSA-N 1 2 359.297 3.384 20 10 FGCDLO C[C@H]1C[N@H+](C2CCOCC2)CCN1Cc1cc(Cl)cc(Cl)c1O ZINC000787303446 725024189 /nfs/dbraw/zinc/02/41/89/725024189.db2.gz OQGPGXBFQSROPF-LBPRGKRZSA-N 1 2 359.297 3.384 20 10 FGCDLO C[C@@H](Nc1ccc(N(C)CCO)c[nH+]1)c1cccc(C(F)(F)F)c1O ZINC000788702196 725082130 /nfs/dbraw/zinc/08/21/30/725082130.db2.gz HIFWJSNCJVMKIX-LLVKDONJSA-N 1 2 355.360 3.408 20 10 FGCDLO CCCS(=O)(=O)N1CCC([NH2+][C@H](CC)c2cccc(Cl)c2O)CC1 ZINC000806131508 725117048 /nfs/dbraw/zinc/11/70/48/725117048.db2.gz KQIUMTRGPJFKHG-MRXNPFEDSA-N 1 2 374.934 3.291 20 10 FGCDLO CCc1nnc(NC(=O)[C@@H](C)[C@H](C)[NH2+]Cc2cccc(Cl)c2O)s1 ZINC000809721289 725262723 /nfs/dbraw/zinc/26/27/23/725262723.db2.gz PDYGIIIQBMMWNR-UWVGGRQHSA-N 1 2 368.890 3.212 20 10 FGCDLO CCc1cc(N2CCC([NH2+]Cc3cc(Cl)c(F)cc3O)CC2)ncn1 ZINC000816555901 727175465 /nfs/dbraw/zinc/17/54/65/727175465.db2.gz SXLKUCWGHPLRKX-UHFFFAOYSA-N 1 2 364.852 3.296 20 10 FGCDLO O=C1NCCC[N@@H+](Cc2cc(Cl)c(F)cc2O)[C@@H]1Cc1ccccc1 ZINC000816641371 727183468 /nfs/dbraw/zinc/18/34/68/727183468.db2.gz PNJSRQFWOZGJCS-QGZVFWFLSA-N 1 2 362.832 3.118 20 10 FGCDLO O=C1NCCC[N@H+](Cc2cc(Cl)c(F)cc2O)[C@@H]1Cc1ccccc1 ZINC000816641371 727183471 /nfs/dbraw/zinc/18/34/71/727183471.db2.gz PNJSRQFWOZGJCS-QGZVFWFLSA-N 1 2 362.832 3.118 20 10 FGCDLO O=C1NCCC[N@@H+](Cc2cc(Cl)cc(F)c2O)[C@@H]1Cc1ccccc1 ZINC000816641446 727183992 /nfs/dbraw/zinc/18/39/92/727183992.db2.gz SCTCAVZOQNRABR-QGZVFWFLSA-N 1 2 362.832 3.118 20 10 FGCDLO O=C1NCCC[N@H+](Cc2cc(Cl)cc(F)c2O)[C@@H]1Cc1ccccc1 ZINC000816641446 727183993 /nfs/dbraw/zinc/18/39/93/727183993.db2.gz SCTCAVZOQNRABR-QGZVFWFLSA-N 1 2 362.832 3.118 20 10 FGCDLO C[C@@H](N[C@@H]1C[NH2+]CCC1(F)F)c1cc(Br)cc(Cl)c1O ZINC000817980240 727290254 /nfs/dbraw/zinc/29/02/54/727290254.db2.gz KCDBUMSYIWMBRI-RDDDGLTNSA-N 1 2 369.637 3.456 20 10 FGCDLO Cc1cc(O)c(C[NH+]2CCN(C(=O)c3ccccc3O)CC2)cc1Cl ZINC000824593034 729349344 /nfs/dbraw/zinc/34/93/44/729349344.db2.gz JSYKDMIUFLEESU-UHFFFAOYSA-N 1 2 360.841 3.018 20 10 FGCDLO CO[C@@]1(C)C[C@H]1[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000827715338 729433757 /nfs/dbraw/zinc/43/37/57/729433757.db2.gz KFTDFTJLJOEMAJ-PWSUYJOCSA-N 1 2 365.065 3.184 20 10 FGCDLO COc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCc3cn[nH]c3C2)c1O ZINC000848533160 731176846 /nfs/dbraw/zinc/17/68/46/731176846.db2.gz OKKYYOAZYBEKNI-SKDRFNHKSA-N 1 2 366.259 3.095 20 10 FGCDLO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NCc2c(O)ccc(Cl)c2F)cc1 ZINC000849350316 731251521 /nfs/dbraw/zinc/25/15/21/731251521.db2.gz XQGHYGCBJKRTKW-YOEHRIQHSA-N 1 2 364.848 3.429 20 10 FGCDLO CC[C@@H]([NH2+]C(c1ccnn1C)c1ccnn1C)c1cccc(Cl)c1O ZINC000858585707 732228963 /nfs/dbraw/zinc/22/89/63/732228963.db2.gz NABKZRCGUVXAHY-CQSZACIVSA-N 1 2 359.861 3.343 20 10 FGCDLO COC(=O)CC1CCC([NH2+]Cc2cccc(Br)c2O)CC1 ZINC000862349026 732812539 /nfs/dbraw/zinc/81/25/39/732812539.db2.gz ZXXWFQAQPWLORO-UHFFFAOYSA-N 1 2 356.260 3.366 20 10 FGCDLO Oc1ccc2c(c1)OCC[N@@H+](Cc1c(O)cccc1Br)C2 ZINC000862365368 732816239 /nfs/dbraw/zinc/81/62/39/732816239.db2.gz QFZOSGZFOFKLDT-UHFFFAOYSA-N 1 2 350.212 3.255 20 10 FGCDLO Oc1ccc2c(c1)OCC[N@H+](Cc1c(O)cccc1Br)C2 ZINC000862365368 732816242 /nfs/dbraw/zinc/81/62/42/732816242.db2.gz QFZOSGZFOFKLDT-UHFFFAOYSA-N 1 2 350.212 3.255 20 10 FGCDLO C[C@H]([NH2+]CCC[C@@H]1CCOC1=O)c1cc(Br)cc(F)c1O ZINC000872112853 735589684 /nfs/dbraw/zinc/58/96/84/735589684.db2.gz LFTNOOQAQJAHEJ-VHSXEESVSA-N 1 2 360.223 3.288 20 10 FGCDLO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]Cc1c(O)cccc1F ZINC000896637540 742575374 /nfs/dbraw/zinc/57/53/74/742575374.db2.gz ORPWPSZBVJLPKX-UHFFFAOYSA-N 1 2 357.834 3.268 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)NCc3cccc(O)c3)CC2)cc1 ZINC000066187136 494285847 /nfs/dbraw/zinc/28/58/47/494285847.db2.gz PIVUALLTEUZPFH-UHFFFAOYSA-N 1 2 369.465 3.211 20 10 FGCDLO C[C@@H](CS(C)(=O)=O)[N@H+](Cc1cc(Cl)cc(Cl)c1O)C1CC1 ZINC000093392480 494884672 /nfs/dbraw/zinc/88/46/72/494884672.db2.gz RVSXFMACFMAGFG-VIFPVBQESA-N 1 2 352.283 3.097 20 10 FGCDLO C[C@@H](CS(C)(=O)=O)[N@@H+](Cc1cc(Cl)cc(Cl)c1O)C1CC1 ZINC000093392480 494884675 /nfs/dbraw/zinc/88/46/75/494884675.db2.gz RVSXFMACFMAGFG-VIFPVBQESA-N 1 2 352.283 3.097 20 10 FGCDLO Cn1ccnc1[C@@H](O)C1CC[NH+](Cc2cc(Cl)cc(Cl)c2O)CC1 ZINC000093454752 494892549 /nfs/dbraw/zinc/89/25/49/494892549.db2.gz WFGAKTBGKNIHRS-INIZCTEOSA-N 1 2 370.280 3.378 20 10 FGCDLO Cc1ccc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c(C)[nH+]1 ZINC000152303154 496110609 /nfs/dbraw/zinc/11/06/09/496110609.db2.gz AYWIYNATVIWMKR-UHFFFAOYSA-N 1 2 354.454 3.199 20 10 FGCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCCN(C(=O)c3ccccc3)CC2)c1O ZINC000175576841 496449100 /nfs/dbraw/zinc/44/91/00/496449100.db2.gz UWZVKZSVTWEWEG-UHFFFAOYSA-N 1 2 370.424 3.082 20 10 FGCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCCN(C(=O)c3ccccc3)CC2)c1O ZINC000175576841 496449106 /nfs/dbraw/zinc/44/91/06/496449106.db2.gz UWZVKZSVTWEWEG-UHFFFAOYSA-N 1 2 370.424 3.082 20 10 FGCDLO C[C@@H]([NH2+]CC1(N2CCCCC2)CCOCC1)c1ccc(F)c(F)c1O ZINC000187780070 496569233 /nfs/dbraw/zinc/56/92/33/496569233.db2.gz HNJCRMSZLXKXSY-CQSZACIVSA-N 1 2 354.441 3.356 20 10 FGCDLO COc1cc(O)c(C[N@@H+]2CCSC[C@@H]2c2nccs2)cc1OC ZINC000184882566 496569925 /nfs/dbraw/zinc/56/99/25/496569925.db2.gz LWRKITIDFRIYHH-GFCCVEGCSA-N 1 2 352.481 3.156 20 10 FGCDLO COc1cc(O)c(C[N@H+]2CCSC[C@@H]2c2nccs2)cc1OC ZINC000184882566 496569927 /nfs/dbraw/zinc/56/99/27/496569927.db2.gz LWRKITIDFRIYHH-GFCCVEGCSA-N 1 2 352.481 3.156 20 10 FGCDLO C[C@@H]([NH2+]Cc1ccc(N2CCOC2=O)cc1)c1cc([N+](=O)[O-])ccc1O ZINC000273493839 496821704 /nfs/dbraw/zinc/82/17/04/496821704.db2.gz XJGUWYBBJAVSPO-GFCCVEGCSA-N 1 2 357.366 3.108 20 10 FGCDLO CN(c1ccc(CNC(=O)CCc2c[nH+]cn2C)cc1)C1CCCCC1 ZINC000188786336 496909483 /nfs/dbraw/zinc/90/94/83/496909483.db2.gz SGAMVQNLVBDFQM-UHFFFAOYSA-N 1 2 354.498 3.438 20 10 FGCDLO CCn1nccc1[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000278556473 497153134 /nfs/dbraw/zinc/15/31/34/497153134.db2.gz WFCKZDHYIGWSNG-FTLABTOESA-N 1 2 351.397 3.315 20 10 FGCDLO CC(C)N(C)c1ccc(/C=C2/SC(=S)N(Cc3ccon3)C2=O)c[nH+]1 ZINC000190403809 497466685 /nfs/dbraw/zinc/46/66/85/497466685.db2.gz QOJOJJAYIZQERO-RIYZIHGNSA-N 1 2 374.491 3.316 20 10 FGCDLO CC[NH+](CC)Cc1nc(C2(NCc3cccc(C)c3O)CCCC2)no1 ZINC000271891749 497481508 /nfs/dbraw/zinc/48/15/08/497481508.db2.gz SCSYNKLLBPOPKE-UHFFFAOYSA-N 1 2 358.486 3.485 20 10 FGCDLO O=S1(=O)C[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)c2ccccc21 ZINC000267913418 497638500 /nfs/dbraw/zinc/63/85/00/497638500.db2.gz FNFQROXFNGVKBO-IBGZPJMESA-N 1 2 356.491 3.295 20 10 FGCDLO C[C@H]([NH2+]C[C@H](c1cccs1)N1CCOCC1)c1ccc(F)c(F)c1O ZINC000191183165 497737055 /nfs/dbraw/zinc/73/70/55/497737055.db2.gz IOTCMXGPYGNXNH-SWLSCSKDSA-N 1 2 368.449 3.456 20 10 FGCDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3cc(Cl)cc(C(C)=O)c3O)[C@@H]2C1 ZINC000246894200 497819242 /nfs/dbraw/zinc/81/92/42/497819242.db2.gz RIPLBFQVSLPREV-OIISXLGYSA-N 1 2 353.846 3.017 20 10 FGCDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3cc(Cl)cc(C(C)=O)c3O)[C@@H]2C1 ZINC000246894200 497819243 /nfs/dbraw/zinc/81/92/43/497819243.db2.gz RIPLBFQVSLPREV-OIISXLGYSA-N 1 2 353.846 3.017 20 10 FGCDLO C[C@H]([NH2+]C[C@@H]1CCN(C(=O)Cc2ccccc2)C1)c1ccc(F)c(F)c1O ZINC000364797210 498147611 /nfs/dbraw/zinc/14/76/11/498147611.db2.gz XQTNONBIUVSLJZ-HOCLYGCPSA-N 1 2 374.431 3.412 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)Cc3cccc(OC)c3)CC2)cc1 ZINC000360163914 498252722 /nfs/dbraw/zinc/25/27/22/498252722.db2.gz FHIVQUBRPVWONQ-UHFFFAOYSA-N 1 2 368.477 3.374 20 10 FGCDLO CCOCc1cc(C[NH2+]Cc2ncn(-c3ccccc3)n2)ccc1OC ZINC000293328887 498347606 /nfs/dbraw/zinc/34/76/06/498347606.db2.gz GLGSKPPCHUQZCK-UHFFFAOYSA-N 1 2 352.438 3.102 20 10 FGCDLO Cc1ccncc1C1=CCN(c2cc(N3CCSCC3)[nH+]cn2)CC1 ZINC000365475239 498485366 /nfs/dbraw/zinc/48/53/66/498485366.db2.gz XTDVGRSVKDUBHF-UHFFFAOYSA-N 1 2 353.495 3.027 20 10 FGCDLO Cc1ccncc1C1=CCN(c2cc(N3CCSCC3)nc[nH+]2)CC1 ZINC000365475239 498485373 /nfs/dbraw/zinc/48/53/73/498485373.db2.gz XTDVGRSVKDUBHF-UHFFFAOYSA-N 1 2 353.495 3.027 20 10 FGCDLO CCn1cc[nH+]c1CNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000298151218 498678184 /nfs/dbraw/zinc/67/81/84/498678184.db2.gz PGRMBBCMMGPSJF-UHFFFAOYSA-N 1 2 355.486 3.235 20 10 FGCDLO CC[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1cccc(Cl)c1O ZINC000287547418 498793908 /nfs/dbraw/zinc/79/39/08/498793908.db2.gz FKBAVYJALBXJPG-RYUDHWBXSA-N 1 2 350.768 3.250 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)c3cc(OC)ccc3O)CC2)cc1 ZINC000363448353 498826964 /nfs/dbraw/zinc/82/69/64/498826964.db2.gz FPKWOANQUMHZDU-UHFFFAOYSA-N 1 2 370.449 3.150 20 10 FGCDLO CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000370621913 499236388 /nfs/dbraw/zinc/23/63/88/499236388.db2.gz JGTNTLGUNTUZAU-LLVKDONJSA-N 1 2 366.824 3.246 20 10 FGCDLO CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000370621913 499236390 /nfs/dbraw/zinc/23/63/90/499236390.db2.gz JGTNTLGUNTUZAU-LLVKDONJSA-N 1 2 366.824 3.246 20 10 FGCDLO Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-])C2 ZINC000368314725 499284462 /nfs/dbraw/zinc/28/44/62/499284462.db2.gz FHTPCORHIPXQBW-JQWIXIFHSA-N 1 2 368.250 3.464 20 10 FGCDLO C[C@@H]([NH2+]C1CCN(Cc2cscn2)CC1)c1ccc(F)c(F)c1O ZINC000375587213 499535381 /nfs/dbraw/zinc/53/53/81/499535381.db2.gz ZYXXAAGGCBHHQL-LLVKDONJSA-N 1 2 353.438 3.442 20 10 FGCDLO COCCn1c(C)c(C)c2cc(C(=O)NCCCCn3cc[nH+]c3)ccc21 ZINC000590808644 506973666 /nfs/dbraw/zinc/97/36/66/506973666.db2.gz LDYPAEBTBKROCA-UHFFFAOYSA-N 1 2 368.481 3.311 20 10 FGCDLO Oc1c(Br)cccc1C[NH2+]C[C@@H]1CCN(CC(F)(F)F)C1 ZINC000048797156 695889485 /nfs/dbraw/zinc/88/94/85/695889485.db2.gz PGKADBBIGIVOQD-JTQLQIEISA-N 1 2 367.209 3.129 20 10 FGCDLO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2cccc(Br)c2O)C1 ZINC000113343240 700571047 /nfs/dbraw/zinc/57/10/47/700571047.db2.gz WQHNUNUCGVYKER-LBPRGKRZSA-N 1 2 371.275 3.254 20 10 FGCDLO Oc1ccccc1C[NH2+]Cc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000119740464 700637634 /nfs/dbraw/zinc/63/76/34/700637634.db2.gz UZYCOPBHKRFMNA-UHFFFAOYSA-N 1 2 359.227 3.230 20 10 FGCDLO Oc1ccccc1C[NH2+]Cc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000119740464 700637635 /nfs/dbraw/zinc/63/76/35/700637635.db2.gz UZYCOPBHKRFMNA-UHFFFAOYSA-N 1 2 359.227 3.230 20 10 FGCDLO Cc1ccc2[nH+]cc(/C=C3\SC(=S)N(c4cccnc4)C3=O)n2c1 ZINC000178766225 705675117 /nfs/dbraw/zinc/67/51/17/705675117.db2.gz SAYWCVQPIYQBSN-AUWJEWJLSA-N 1 2 352.444 3.444 20 10 FGCDLO O=C(Cc1ccccc1)N1CCC[C@@H]([NH2+]Cc2cccc(Cl)c2O)C1 ZINC000802657830 724398282 /nfs/dbraw/zinc/39/82/82/724398282.db2.gz ACRPJDNPXXJBFU-QGZVFWFLSA-N 1 2 358.869 3.369 20 10 FGCDLO C[C@H](CC[S@](C)=O)[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000756741112 722969411 /nfs/dbraw/zinc/96/94/11/722969411.db2.gz CQMRBMHIBFHPHG-MGOSUKFUSA-N 1 2 352.269 3.102 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](CO)c2c(F)cccc2F)c1O ZINC000782062525 724624544 /nfs/dbraw/zinc/62/45/44/724624544.db2.gz PPSAQDAWKLKVRH-HNNXBMFYSA-N 1 2 355.768 3.350 20 10 FGCDLO OC[C@H](C[NH2+]Cc1cccc(Br)c1O)Cc1ccc(F)cc1 ZINC000725846903 722424613 /nfs/dbraw/zinc/42/46/13/722424613.db2.gz WYGGADXKVQNFBR-ZDUSSCGKSA-N 1 2 368.246 3.235 20 10 FGCDLO CC(C)C(=O)NCCC[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000756775920 722969935 /nfs/dbraw/zinc/96/99/35/722969935.db2.gz NBXYSMPXUFKOIF-JTQLQIEISA-N 1 2 361.255 3.107 20 10 FGCDLO C[C@H]1OCC[C@@]12C[N@H+](Cc1ccc(N(C)C)cc1C(F)(F)F)CCO2 ZINC000793232198 723414384 /nfs/dbraw/zinc/41/43/84/723414384.db2.gz USPDAKCKXYGKCM-CXAGYDPISA-N 1 2 358.404 3.151 20 10 FGCDLO C[C@H]1OCC[C@@]12C[N@@H+](Cc1ccc(N(C)C)cc1C(F)(F)F)CCO2 ZINC000793232198 723414386 /nfs/dbraw/zinc/41/43/86/723414386.db2.gz USPDAKCKXYGKCM-CXAGYDPISA-N 1 2 358.404 3.151 20 10 FGCDLO CC[N@H+](Cc1nnc(C(C)C)[nH]1)Cc1cc(Br)ccc1O ZINC000794382603 723516995 /nfs/dbraw/zinc/51/69/95/723516995.db2.gz JTUKZZCQNLXSKX-UHFFFAOYSA-N 1 2 353.264 3.418 20 10 FGCDLO CC[N@@H+](Cc1nnc(C(C)C)[nH]1)Cc1cc(Br)ccc1O ZINC000794382603 723516997 /nfs/dbraw/zinc/51/69/97/723516997.db2.gz JTUKZZCQNLXSKX-UHFFFAOYSA-N 1 2 353.264 3.418 20 10 FGCDLO CCOC(=O)C[N@H+](Cc1cc(C)cc(Br)c1O)C1CCC1 ZINC000768530280 723660572 /nfs/dbraw/zinc/66/05/72/723660572.db2.gz HANKBFBCAGOLKP-UHFFFAOYSA-N 1 2 356.260 3.381 20 10 FGCDLO CCOC(=O)C[N@@H+](Cc1cc(C)cc(Br)c1O)C1CCC1 ZINC000768530280 723660574 /nfs/dbraw/zinc/66/05/74/723660574.db2.gz HANKBFBCAGOLKP-UHFFFAOYSA-N 1 2 356.260 3.381 20 10 FGCDLO Oc1c(Br)cccc1CN1CC[NH+](Cc2ccccc2)CC1 ZINC000771928072 723745653 /nfs/dbraw/zinc/74/56/53/723745653.db2.gz NLENUTATTWBKNO-UHFFFAOYSA-N 1 2 361.283 3.473 20 10 FGCDLO COc1c(O)c(C[N@@H+]2CCc3c(F)cc(F)cc3C2)ccc1[N+](=O)[O-] ZINC000774907609 723941376 /nfs/dbraw/zinc/94/13/76/723941376.db2.gz DDKGYFCZAVBVJJ-UHFFFAOYSA-N 1 2 350.321 3.146 20 10 FGCDLO COc1c(O)c(C[N@H+]2CCc3c(F)cc(F)cc3C2)ccc1[N+](=O)[O-] ZINC000774907609 723941377 /nfs/dbraw/zinc/94/13/77/723941377.db2.gz DDKGYFCZAVBVJJ-UHFFFAOYSA-N 1 2 350.321 3.146 20 10 FGCDLO Oc1c(Br)cccc1C[NH2+]CC[C@@H]1COc2ccccc2O1 ZINC000776251376 724124183 /nfs/dbraw/zinc/12/41/83/724124183.db2.gz FIYNVLYFXODWNY-CYBMUJFWSA-N 1 2 364.239 3.474 20 10 FGCDLO CCn1cc(N2C(=O)/C(=C\c3cc(OC)cc(C)[nH+]3)SC2=S)cn1 ZINC000776726759 724174623 /nfs/dbraw/zinc/17/46/23/724174623.db2.gz NDBHMELQJJZZLD-VGOFMYFVSA-N 1 2 360.464 3.021 20 10 FGCDLO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](S(C)(=O)=O)CC2)cc1F ZINC000800535141 724210106 /nfs/dbraw/zinc/21/01/06/724210106.db2.gz ZZEMMVABJCIFAN-MRXNPFEDSA-N 1 2 356.507 3.071 20 10 FGCDLO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H](S(C)(=O)=O)CC2)cc1F ZINC000800535141 724210109 /nfs/dbraw/zinc/21/01/09/724210109.db2.gz ZZEMMVABJCIFAN-MRXNPFEDSA-N 1 2 356.507 3.071 20 10 FGCDLO CCOC(=O)[C@H](CC)[N@H+](Cc1cccc(Br)c1O)C1CC1 ZINC000787441740 725028479 /nfs/dbraw/zinc/02/84/79/725028479.db2.gz ZGTOCTHKEQQXGT-AWEZNQCLSA-N 1 2 356.260 3.461 20 10 FGCDLO CCOC(=O)[C@H](CC)[N@@H+](Cc1cccc(Br)c1O)C1CC1 ZINC000787441740 725028481 /nfs/dbraw/zinc/02/84/81/725028481.db2.gz ZGTOCTHKEQQXGT-AWEZNQCLSA-N 1 2 356.260 3.461 20 10 FGCDLO C[C@H]([NH2+]C[C@@H](CO)c1cccnc1)c1cc(Br)cc(F)c1O ZINC000806179298 725119807 /nfs/dbraw/zinc/11/98/07/725119807.db2.gz QPVRLLXFPGHEEV-JQWIXIFHSA-N 1 2 369.234 3.116 20 10 FGCDLO Cc1nnc(CC[NH2+][C@@H](C)c2cc(Br)cc(F)c2O)s1 ZINC000810242462 725299215 /nfs/dbraw/zinc/29/92/15/725299215.db2.gz CWXYWTNWPSGSEO-ZETCQYMHSA-N 1 2 360.252 3.347 20 10 FGCDLO C[C@@H](NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000822081610 729145892 /nfs/dbraw/zinc/14/58/92/729145892.db2.gz GFEIZYYHNHHZNW-DOMZBBRYSA-N 1 2 354.376 3.320 20 10 FGCDLO Cn1cc([C@H]2C[N@H+](Cc3cccc(Cl)c3O)CC23CCOCC3)cn1 ZINC000824715862 729356308 /nfs/dbraw/zinc/35/63/08/729356308.db2.gz PSLKWMPHYCZTNG-MRXNPFEDSA-N 1 2 361.873 3.175 20 10 FGCDLO Cn1cc([C@H]2C[N@@H+](Cc3cccc(Cl)c3O)CC23CCOCC3)cn1 ZINC000824715862 729356309 /nfs/dbraw/zinc/35/63/09/729356309.db2.gz PSLKWMPHYCZTNG-MRXNPFEDSA-N 1 2 361.873 3.175 20 10 FGCDLO CC[N@H+](Cc1cn(C2CCC2)nn1)Cc1cc(Br)ccc1O ZINC000824913856 729364810 /nfs/dbraw/zinc/36/48/10/729364810.db2.gz ZNMKNMQBISXMDL-UHFFFAOYSA-N 1 2 365.275 3.493 20 10 FGCDLO CC[N@@H+](Cc1cn(C2CCC2)nn1)Cc1cc(Br)ccc1O ZINC000824913856 729364812 /nfs/dbraw/zinc/36/48/12/729364812.db2.gz ZNMKNMQBISXMDL-UHFFFAOYSA-N 1 2 365.275 3.493 20 10 FGCDLO Cc1cc(O)c(C[N@@H+]2CCOC[C@H]2C[C@@H](O)c2ccco2)cc1Cl ZINC000824933558 729365597 /nfs/dbraw/zinc/36/55/97/729365597.db2.gz HDMZRBDJVFOJOS-RHSMWYFYSA-N 1 2 351.830 3.272 20 10 FGCDLO Cc1cc(O)c(C[N@H+]2CCOC[C@H]2C[C@@H](O)c2ccco2)cc1Cl ZINC000824933558 729365599 /nfs/dbraw/zinc/36/55/99/729365599.db2.gz HDMZRBDJVFOJOS-RHSMWYFYSA-N 1 2 351.830 3.272 20 10 FGCDLO Cc1cc(C(=O)C[N@H+]2CCCOC[C@@H]2C)c(C)n1-c1ccc(Cl)cn1 ZINC000828428353 729443345 /nfs/dbraw/zinc/44/33/45/729443345.db2.gz KJNRGANIRBDCLT-AWEZNQCLSA-N 1 2 361.873 3.436 20 10 FGCDLO Cc1cc(C(=O)C[N@@H+]2CCCOC[C@@H]2C)c(C)n1-c1ccc(Cl)cn1 ZINC000828428353 729443346 /nfs/dbraw/zinc/44/33/46/729443346.db2.gz KJNRGANIRBDCLT-AWEZNQCLSA-N 1 2 361.873 3.436 20 10 FGCDLO CC[N@H+](CC(=O)c1cc(C)n(-c2ccc(Cl)cn2)c1C)[C@H]1CCOC1 ZINC000829973546 729526944 /nfs/dbraw/zinc/52/69/44/729526944.db2.gz GTFUMRSAFDQGCS-INIZCTEOSA-N 1 2 361.873 3.436 20 10 FGCDLO CC[N@@H+](CC(=O)c1cc(C)n(-c2ccc(Cl)cn2)c1C)[C@H]1CCOC1 ZINC000829973546 729526947 /nfs/dbraw/zinc/52/69/47/729526947.db2.gz GTFUMRSAFDQGCS-INIZCTEOSA-N 1 2 361.873 3.436 20 10 FGCDLO CC[C@H]([NH2+][C@@H](C)c1cc(Br)cc(F)c1O)[C@H](O)C(F)F ZINC000834876082 729841117 /nfs/dbraw/zinc/84/11/17/729841117.db2.gz YEMOXSANYIYIKQ-IAOBUDJDSA-N 1 2 356.182 3.349 20 10 FGCDLO COc1ccc(OC)c2c1C[N@H+](Cc1c(O)cc(C)cc1Cl)C[C@@H]2O ZINC000840910920 730190229 /nfs/dbraw/zinc/19/02/29/730190229.db2.gz XFRWVMZRHWOJSS-INIZCTEOSA-N 1 2 363.841 3.420 20 10 FGCDLO COc1ccc(OC)c2c1C[N@@H+](Cc1c(O)cc(C)cc1Cl)C[C@@H]2O ZINC000840910920 730190232 /nfs/dbraw/zinc/19/02/32/730190232.db2.gz XFRWVMZRHWOJSS-INIZCTEOSA-N 1 2 363.841 3.420 20 10 FGCDLO Cc1cnc(OC2CC[NH+](Cc3cc(Cl)c(F)cc3O)CC2)nc1 ZINC000848924933 731221412 /nfs/dbraw/zinc/22/14/12/731221412.db2.gz HSEBTZHMVTXKEF-UHFFFAOYSA-N 1 2 351.809 3.327 20 10 FGCDLO C[C@H](Sc1ncc(Cl)s1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000849998656 731307930 /nfs/dbraw/zinc/30/79/30/731307930.db2.gz HRGMCFOYKHYIBA-NSHDSACASA-N 1 2 368.915 3.021 20 10 FGCDLO Cc1cc(C2([NH2+]Cc3cc(F)c(N(C)C)cc3F)CCOCC2)on1 ZINC000858326240 732203483 /nfs/dbraw/zinc/20/34/83/732203483.db2.gz KGYJMVSVVWKWAC-UHFFFAOYSA-N 1 2 351.397 3.123 20 10 FGCDLO Cn1nc2c(c1C[NH2+]Cc1cc(Br)cc(F)c1O)CCCC2 ZINC000883126120 737526999 /nfs/dbraw/zinc/52/69/99/737526999.db2.gz GEGGGXTUOKXBQO-UHFFFAOYSA-N 1 2 368.250 3.196 20 10 FGCDLO O=C1[C@@H]([NH2+]Cc2cc(Cl)cc(Br)c2O)C[C@@H]2CCCCN12 ZINC000883140188 737528693 /nfs/dbraw/zinc/52/86/93/737528693.db2.gz LXCDSBFLGFTRDJ-AAEUAGOBSA-N 1 2 373.678 3.051 20 10 FGCDLO CCc1nnc(C[NH2+]Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)s1 ZINC000892622541 740024101 /nfs/dbraw/zinc/02/41/01/740024101.db2.gz QXLGSCOCKXVCKP-BETUJISGSA-N 1 2 364.490 3.143 20 10 FGCDLO Cc1ccc([C@H]([NH2+]Cc2cc(F)cc(F)c2O)[C@H](C)S(C)(=O)=O)cc1 ZINC000894647932 742314121 /nfs/dbraw/zinc/31/41/21/742314121.db2.gz HESWCZXVWAOBEU-YVEFUNNKSA-N 1 2 369.433 3.243 20 10 FGCDLO CC(=O)c1cc(Cl)cc(Cn2cc(C[N@@H+](C)C(C)(C)C)nn2)c1O ZINC000905783741 744055799 /nfs/dbraw/zinc/05/57/99/744055799.db2.gz JZMAFSVKLGPHPK-UHFFFAOYSA-N 1 2 350.850 3.118 20 10 FGCDLO CC(=O)c1cc(Cl)cc(Cn2cc(C[N@H+](C)C(C)(C)C)nn2)c1O ZINC000905783741 744055803 /nfs/dbraw/zinc/05/58/03/744055803.db2.gz JZMAFSVKLGPHPK-UHFFFAOYSA-N 1 2 350.850 3.118 20 10 FGCDLO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)Cn1ncc(Cl)c(Cl)c1=O ZINC000917411073 758219133 /nfs/dbraw/zinc/21/91/33/758219133.db2.gz JDCVMPNVBBDDIS-UHFFFAOYSA-N 1 2 369.296 3.484 20 10 FGCDLO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)Cn1ncc(Cl)c(Cl)c1=O ZINC000917411073 758219143 /nfs/dbraw/zinc/21/91/43/758219143.db2.gz JDCVMPNVBBDDIS-UHFFFAOYSA-N 1 2 369.296 3.484 20 10 FGCDLO CN(C)c1ccc(C[NH2+]Cc2noc3c2COCC3)c(C(F)(F)F)c1 ZINC000923014719 759049950 /nfs/dbraw/zinc/04/99/50/759049950.db2.gz KSMBRWYNOBTGCQ-UHFFFAOYSA-N 1 2 355.360 3.122 20 10 FGCDLO C[C@H]([NH2+]CCOC1CCOCC1)c1cc(Br)cc(F)c1O ZINC000927080924 759887470 /nfs/dbraw/zinc/88/74/70/759887470.db2.gz XQTAQABGJCEGJK-JTQLQIEISA-N 1 2 362.239 3.140 20 10 FGCDLO CC(=O)N1CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2O)c2ccc(F)cc2C1 ZINC000185350242 495542824 /nfs/dbraw/zinc/54/28/24/495542824.db2.gz HEXJIXNNVIBQSG-SFHVURJKSA-N 1 2 373.384 3.023 20 10 FGCDLO C[C@H]([NH2+]CC1(CS(C)(=O)=O)CC1)c1ccc(Cl)c(Cl)c1O ZINC000186090228 495850428 /nfs/dbraw/zinc/85/04/28/495850428.db2.gz CBPGJZOUJWAEKT-VIFPVBQESA-N 1 2 352.283 3.174 20 10 FGCDLO C[C@@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)c1ccc(Cl)c(Cl)c1O ZINC000186375791 495972711 /nfs/dbraw/zinc/97/27/11/495972711.db2.gz QFDNSPPPNMYNIV-MNOVXSKESA-N 1 2 362.253 3.272 20 10 FGCDLO COc1cc(OC)cc([C@H](O)C[NH2+][C@@H](C)c2ccc(F)c(F)c2O)c1 ZINC000187725913 496548317 /nfs/dbraw/zinc/54/83/17/496548317.db2.gz JLTMGMMDYCGQGR-MGPLVRAMSA-N 1 2 353.365 3.072 20 10 FGCDLO CC[N@H+](Cc1cc(Br)ccc1O)[C@@H](C)c1nc(COC)no1 ZINC000181934153 496604708 /nfs/dbraw/zinc/60/47/08/496604708.db2.gz YKFNXGRLGYKRCW-JTQLQIEISA-N 1 2 370.247 3.267 20 10 FGCDLO CC[N@@H+](Cc1cc(Br)ccc1O)[C@@H](C)c1nc(COC)no1 ZINC000181934153 496604710 /nfs/dbraw/zinc/60/47/10/496604710.db2.gz YKFNXGRLGYKRCW-JTQLQIEISA-N 1 2 370.247 3.267 20 10 FGCDLO C[C@@H]([NH2+]Cc1cccc(CN2CCCC2=O)c1)c1cc([N+](=O)[O-])ccc1O ZINC000273296575 496766969 /nfs/dbraw/zinc/76/69/69/496766969.db2.gz AHVGWSGVVNTHEH-CQSZACIVSA-N 1 2 369.421 3.274 20 10 FGCDLO C[C@H]([NH2+]Cc1ccnc(OC2CCOCC2)c1)c1cc([N+](=O)[O-])ccc1O ZINC000273462856 496812446 /nfs/dbraw/zinc/81/24/46/496812446.db2.gz CZXDLCGWLMHZGG-ZDUSSCGKSA-N 1 2 373.409 3.104 20 10 FGCDLO C[C@@H]([NH2+]Cc1ccnc(OC2CCOCC2)c1)c1cc([N+](=O)[O-])ccc1O ZINC000273462854 496812822 /nfs/dbraw/zinc/81/28/22/496812822.db2.gz CZXDLCGWLMHZGG-CYBMUJFWSA-N 1 2 373.409 3.104 20 10 FGCDLO COc1cc(Cl)cc(C[N@@H+]2CCSC[C@@H]2c2cnn(C)c2)c1O ZINC000191746301 496875421 /nfs/dbraw/zinc/87/54/21/496875421.db2.gz RUXFRGJPRKTREY-CQSZACIVSA-N 1 2 353.875 3.078 20 10 FGCDLO COc1cc(Cl)cc(C[N@H+]2CCSC[C@@H]2c2cnn(C)c2)c1O ZINC000191746301 496875425 /nfs/dbraw/zinc/87/54/25/496875425.db2.gz RUXFRGJPRKTREY-CQSZACIVSA-N 1 2 353.875 3.078 20 10 FGCDLO COc1cc(Cl)cc(C[N@H+](C)Cc2ccc(S(C)(=O)=O)cc2)c1O ZINC000273791474 496909736 /nfs/dbraw/zinc/90/97/36/496909736.db2.gz VJVCGBPWGNSREB-UHFFFAOYSA-N 1 2 369.870 3.090 20 10 FGCDLO COc1cc(Cl)cc(C[N@@H+](C)Cc2ccc(S(C)(=O)=O)cc2)c1O ZINC000273791474 496909740 /nfs/dbraw/zinc/90/97/40/496909740.db2.gz VJVCGBPWGNSREB-UHFFFAOYSA-N 1 2 369.870 3.090 20 10 FGCDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)Cc2ccc(N)cc2)C[C@H](C)O1 ZINC000237625209 497265395 /nfs/dbraw/zinc/26/53/95/497265395.db2.gz UQLSUWDTYSIAOT-HOTGVXAUSA-N 1 2 353.466 3.059 20 10 FGCDLO OCCCCC[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000193161245 497314706 /nfs/dbraw/zinc/31/47/06/497314706.db2.gz OCWAISXRCWDZFV-UHFFFAOYSA-N 1 2 367.081 3.169 20 10 FGCDLO CCc1nc([C@@H]2CCCC[N@@H+]2Cc2ccc(N3CCOCC3)cc2)no1 ZINC000361157827 498353289 /nfs/dbraw/zinc/35/32/89/498353289.db2.gz QHCRAXZTXBMGHR-SFHVURJKSA-N 1 2 356.470 3.196 20 10 FGCDLO CCc1nc([C@@H]2CCCC[N@H+]2Cc2ccc(N3CCOCC3)cc2)no1 ZINC000361157827 498353296 /nfs/dbraw/zinc/35/32/96/498353296.db2.gz QHCRAXZTXBMGHR-SFHVURJKSA-N 1 2 356.470 3.196 20 10 FGCDLO C[C@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1ccc(Cl)c(Cl)c1O ZINC000286876885 498538635 /nfs/dbraw/zinc/53/86/35/498538635.db2.gz CEOAXVUIIBDWMU-UWVGGRQHSA-N 1 2 352.283 3.174 20 10 FGCDLO COCCC1(C(=O)N(C)C2CC[NH+](c3ccc(OC)cc3)CC2)CCC1 ZINC000366146852 498798224 /nfs/dbraw/zinc/79/82/24/498798224.db2.gz IBAVJHNDBYNUGM-UHFFFAOYSA-N 1 2 360.498 3.329 20 10 FGCDLO C[C@H]([NH2+]Cc1nnc2n1C[C@H](C(F)(F)F)CC2)c1ccc(F)cc1O ZINC000369902054 499148640 /nfs/dbraw/zinc/14/86/40/499148640.db2.gz KCEQSPOANMNRIJ-VHSXEESVSA-N 1 2 358.339 3.098 20 10 FGCDLO O=C(c1ccc[nH]1)N1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2O)CC1 ZINC000378356106 499506184 /nfs/dbraw/zinc/50/61/84/499506184.db2.gz QVIDPKZZOWSZPB-UHFFFAOYSA-N 1 2 368.264 3.375 20 10 FGCDLO O=C(c1ccc[nH]1)N1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2O)CC1 ZINC000378356106 499506185 /nfs/dbraw/zinc/50/61/85/499506185.db2.gz QVIDPKZZOWSZPB-UHFFFAOYSA-N 1 2 368.264 3.375 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCOC3(CCOCC3)CC2)c1O ZINC000377252662 499674104 /nfs/dbraw/zinc/67/41/04/499674104.db2.gz SAOPKTNAXLYGRO-UHFFFAOYSA-N 1 2 353.846 3.020 20 10 FGCDLO COCC[NH2+][C@H](C)c1cc(Br)cc(Br)c1O ZINC000134905894 704833699 /nfs/dbraw/zinc/83/36/99/704833699.db2.gz DKAIRIZMYRFHTG-SSDOTTSWSA-N 1 2 353.054 3.214 20 10 FGCDLO C[C@@H]1C[N@H+](Cc2c(O)cccc2Br)C[C@@](C)(C(F)F)O1 ZINC000707167317 722412160 /nfs/dbraw/zinc/41/21/60/722412160.db2.gz XPQXPVCTXRCYIU-OTYXRUKQSA-N 1 2 350.203 3.399 20 10 FGCDLO C[C@@H]1C[N@@H+](Cc2c(O)cccc2Br)C[C@@](C)(C(F)F)O1 ZINC000707167317 722412161 /nfs/dbraw/zinc/41/21/61/722412161.db2.gz XPQXPVCTXRCYIU-OTYXRUKQSA-N 1 2 350.203 3.399 20 10 FGCDLO COc1ccccc1[C@@H](CNC(=O)C1=CC(=O)CS1)[NH+]1CCCCC1 ZINC000731871138 722478804 /nfs/dbraw/zinc/47/88/04/722478804.db2.gz XUDUSIVPMWKVEZ-MRXNPFEDSA-N 1 2 360.479 3.419 20 10 FGCDLO C[C@H]([NH2+]CCNC(=O)c1ccccc1Cl)c1cc(F)cc(F)c1O ZINC000756577031 722967139 /nfs/dbraw/zinc/96/71/39/722967139.db2.gz XHRKPVDWUJZHHP-JTQLQIEISA-N 1 2 354.784 3.404 20 10 FGCDLO CCN(Cc1cc(Br)ccc1O)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000791384118 723237456 /nfs/dbraw/zinc/23/74/56/723237456.db2.gz DNRQJXKROVRDBV-UHFFFAOYSA-N 1 2 366.259 3.204 20 10 FGCDLO COC(=O)C[C@@](C)([NH2+]Cc1c(O)ccc(Cl)c1F)c1ccncc1 ZINC000792173792 723318126 /nfs/dbraw/zinc/31/81/26/723318126.db2.gz CNPSKORYTJRZDE-QGZVFWFLSA-N 1 2 352.793 3.148 20 10 FGCDLO Cc1cc(Br)c(O)c(C[N@@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)c1 ZINC000796032107 723618233 /nfs/dbraw/zinc/61/82/33/723618233.db2.gz NWCBSXYLYMOXSY-CXAGYDPISA-N 1 2 370.287 3.233 20 10 FGCDLO CN(C(=O)C[N@H+](C)Cc1cccc(Br)c1O)C1CCCCC1 ZINC000768304035 723653495 /nfs/dbraw/zinc/65/34/95/723653495.db2.gz YVFLZTJTUZDAJL-UHFFFAOYSA-N 1 2 369.303 3.378 20 10 FGCDLO CN(C(=O)C[N@@H+](C)Cc1cccc(Br)c1O)C1CCCCC1 ZINC000768304035 723653497 /nfs/dbraw/zinc/65/34/97/723653497.db2.gz YVFLZTJTUZDAJL-UHFFFAOYSA-N 1 2 369.303 3.378 20 10 FGCDLO CC(C)(C)c1nc(CN2CC[NH+](Cc3c(O)cccc3Cl)CC2)no1 ZINC000769462698 723686340 /nfs/dbraw/zinc/68/63/40/723686340.db2.gz LHYSXMSMWBEJRQ-UHFFFAOYSA-N 1 2 364.877 3.044 20 10 FGCDLO C[C@@H]1C[N@H+](Cc2cccc(Br)c2O)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000797605686 723841596 /nfs/dbraw/zinc/84/15/96/723841596.db2.gz UPXAEMNPRMDXFS-XNJGSVPQSA-N 1 2 370.287 3.313 20 10 FGCDLO C[C@@H]1C[N@@H+](Cc2cccc(Br)c2O)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000797605686 723841601 /nfs/dbraw/zinc/84/16/01/723841601.db2.gz UPXAEMNPRMDXFS-XNJGSVPQSA-N 1 2 370.287 3.313 20 10 FGCDLO C[C@H]([NH2+]Cc1cccc(Cl)c1O)c1cccc(NS(C)(=O)=O)c1 ZINC000776071190 724106003 /nfs/dbraw/zinc/10/60/03/724106003.db2.gz PPMWPNPQXVYWHJ-NSHDSACASA-N 1 2 354.859 3.268 20 10 FGCDLO O=C1C[C@H]([NH2+]Cc2cccc(Cl)c2O)CN1[C@@H]1C[C@@H]1c1ccccc1 ZINC000776218121 724120378 /nfs/dbraw/zinc/12/03/78/724120378.db2.gz YOUMIUOSSJYRCI-LZLYRXPVSA-N 1 2 356.853 3.292 20 10 FGCDLO CC[C@@H]([NH2+]CC1CCN(S(=O)(=O)CC)CC1)c1cccc(Cl)c1O ZINC000806158168 725118725 /nfs/dbraw/zinc/11/87/25/725118725.db2.gz KKZBTCPCFOSVMD-MRXNPFEDSA-N 1 2 374.934 3.148 20 10 FGCDLO CN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cccc(Br)c1O ZINC000809708758 725260937 /nfs/dbraw/zinc/26/09/37/725260937.db2.gz JAEUZSNEQHCKHI-ZDUSSCGKSA-N 1 2 371.275 3.207 20 10 FGCDLO CN(C)C(=O)OC[C@@H]1CCCC[N@H+]1Cc1cccc(Br)c1O ZINC000809708758 725260940 /nfs/dbraw/zinc/26/09/40/725260940.db2.gz JAEUZSNEQHCKHI-ZDUSSCGKSA-N 1 2 371.275 3.207 20 10 FGCDLO CO[C@H](C)C[N@H+](C)Cc1cc(Br)cc(Br)c1O ZINC000809718139 725262091 /nfs/dbraw/zinc/26/20/91/725262091.db2.gz REBKATMQPKTHCG-MRVPVSSYSA-N 1 2 367.081 3.384 20 10 FGCDLO CO[C@H](C)C[N@@H+](C)Cc1cc(Br)cc(Br)c1O ZINC000809718139 725262093 /nfs/dbraw/zinc/26/20/93/725262093.db2.gz REBKATMQPKTHCG-MRVPVSSYSA-N 1 2 367.081 3.384 20 10 FGCDLO COc1ccc(C[N@H+](CCO)Cc2cc(Cl)c(F)cc2O)c(OC)c1 ZINC000816509046 727169666 /nfs/dbraw/zinc/16/96/66/727169666.db2.gz CINBAXMQZIXALD-UHFFFAOYSA-N 1 2 369.820 3.196 20 10 FGCDLO COc1ccc(C[N@@H+](CCO)Cc2cc(Cl)c(F)cc2O)c(OC)c1 ZINC000816509046 727169669 /nfs/dbraw/zinc/16/96/69/727169669.db2.gz CINBAXMQZIXALD-UHFFFAOYSA-N 1 2 369.820 3.196 20 10 FGCDLO O=C(/C=C/c1ccccc1)NCCC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816599996 727179476 /nfs/dbraw/zinc/17/94/76/727179476.db2.gz HFUMDFHYWWUWJL-BQYQJAHWSA-N 1 2 362.832 3.494 20 10 FGCDLO Cc1cc(CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cc(C)[nH+]1 ZINC000817574026 727266614 /nfs/dbraw/zinc/26/66/14/727266614.db2.gz VGPVCSJBQUMLBH-UHFFFAOYSA-N 1 2 359.813 3.022 20 10 FGCDLO CCn1nc(C)c(C[N@H+](CC)Cc2cc(Br)ccc2O)n1 ZINC000823477030 729283890 /nfs/dbraw/zinc/28/38/90/729283890.db2.gz HWBGQZUJJBFJTR-UHFFFAOYSA-N 1 2 353.264 3.097 20 10 FGCDLO CCn1nc(C)c(C[N@@H+](CC)Cc2cc(Br)ccc2O)n1 ZINC000823477030 729283892 /nfs/dbraw/zinc/28/38/92/729283892.db2.gz HWBGQZUJJBFJTR-UHFFFAOYSA-N 1 2 353.264 3.097 20 10 FGCDLO Cn1cc([C@@H]2C[N@H+](Cc3cccc(Cl)c3O)CC23CCOCC3)cn1 ZINC000824715861 729356393 /nfs/dbraw/zinc/35/63/93/729356393.db2.gz PSLKWMPHYCZTNG-INIZCTEOSA-N 1 2 361.873 3.175 20 10 FGCDLO Cn1cc([C@@H]2C[N@@H+](Cc3cccc(Cl)c3O)CC23CCOCC3)cn1 ZINC000824715861 729356395 /nfs/dbraw/zinc/35/63/95/729356395.db2.gz PSLKWMPHYCZTNG-INIZCTEOSA-N 1 2 361.873 3.175 20 10 FGCDLO C[N@H+](Cc1csc(C(C)(C)O)n1)Cc1ccc(Br)cc1O ZINC000826097308 729405122 /nfs/dbraw/zinc/40/51/22/729405122.db2.gz XUGDAOPNJQVZJK-UHFFFAOYSA-N 1 2 371.300 3.471 20 10 FGCDLO C[N@@H+](Cc1csc(C(C)(C)O)n1)Cc1ccc(Br)cc1O ZINC000826097308 729405124 /nfs/dbraw/zinc/40/51/24/729405124.db2.gz XUGDAOPNJQVZJK-UHFFFAOYSA-N 1 2 371.300 3.471 20 10 FGCDLO Cc1cc(O)c(C[N@@H+]2CCc3nnc(N4CCCC4)cc3C2)cc1Cl ZINC000828101145 729439780 /nfs/dbraw/zinc/43/97/80/729439780.db2.gz VCVAPNYMQPMDGE-UHFFFAOYSA-N 1 2 358.873 3.303 20 10 FGCDLO Cc1cc(O)c(C[N@H+]2CCc3nnc(N4CCCC4)cc3C2)cc1Cl ZINC000828101145 729439781 /nfs/dbraw/zinc/43/97/81/729439781.db2.gz VCVAPNYMQPMDGE-UHFFFAOYSA-N 1 2 358.873 3.303 20 10 FGCDLO Cc1cc(O)c(C[N@@H+]2CCOC[C@H]2C[C@H](O)c2ccco2)c(Cl)c1 ZINC000840920974 730191657 /nfs/dbraw/zinc/19/16/57/730191657.db2.gz LLJJGQJYCLJBCD-DYVFJYSZSA-N 1 2 351.830 3.272 20 10 FGCDLO Cc1cc(O)c(C[N@H+]2CCOC[C@H]2C[C@H](O)c2ccco2)c(Cl)c1 ZINC000840920974 730191659 /nfs/dbraw/zinc/19/16/59/730191659.db2.gz LLJJGQJYCLJBCD-DYVFJYSZSA-N 1 2 351.830 3.272 20 10 FGCDLO CC[C@H]([NH2+]CCN1C[C@H]2CCCCN2C1=O)c1cccc(Cl)c1O ZINC000850561127 731373630 /nfs/dbraw/zinc/37/36/30/731373630.db2.gz HZXQHVKVIXSWDS-CJNGLKHVSA-N 1 2 351.878 3.376 20 10 FGCDLO CC(C)C(=O)N1CCC([NH2+]Cc2cc(Br)cc(F)c2O)CC1 ZINC000882887158 737501184 /nfs/dbraw/zinc/50/11/84/737501184.db2.gz DTQXFHCZXUIABG-UHFFFAOYSA-N 1 2 373.266 3.030 20 10 FGCDLO OCC1([NH2+]Cc2cc(Cl)cc(Br)c2O)CCSCC1 ZINC000883144429 737529188 /nfs/dbraw/zinc/52/91/88/737529188.db2.gz OSXVTCVPXUZMEI-UHFFFAOYSA-N 1 2 366.708 3.156 20 10 FGCDLO CC(C)(C)N1C[C@@H](C[NH2+]Cc2cc(Br)cc(F)c2O)CC1=O ZINC000883179670 737532270 /nfs/dbraw/zinc/53/22/70/737532270.db2.gz FZAYISYYZYLLBX-SNVBAGLBSA-N 1 2 373.266 3.030 20 10 FGCDLO CC[N@H+](CC(=O)Nc1ccccc1OC)Cc1cc(F)cc(F)c1O ZINC000893863322 742206861 /nfs/dbraw/zinc/20/68/61/742206861.db2.gz FOWVGRHJJXAKMZ-UHFFFAOYSA-N 1 2 350.365 3.140 20 10 FGCDLO CC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1cc(F)cc(F)c1O ZINC000893863322 742206864 /nfs/dbraw/zinc/20/68/64/742206864.db2.gz FOWVGRHJJXAKMZ-UHFFFAOYSA-N 1 2 350.365 3.140 20 10 FGCDLO CCO/C=C/[C@@](O)(C[NH2+]Cc1cc(Cl)cc(F)c1O)C(F)(F)F ZINC000895709606 742444239 /nfs/dbraw/zinc/44/42/39/742444239.db2.gz HDBCQJFRKOPBTO-ITDFMYJTSA-N 1 2 357.731 3.118 20 10 FGCDLO Oc1c(C[N@@H+]2CC[C@H](c3nccc(C(F)(F)F)n3)C2)ccc(F)c1F ZINC000897613599 742695025 /nfs/dbraw/zinc/69/50/25/742695025.db2.gz IZFFBHCUVWWYCY-JTQLQIEISA-N 1 2 359.298 3.469 20 10 FGCDLO CN(C)[C@H](CC[NH2+]Cc1cccc(Br)c1O)C(F)(F)F ZINC000922751635 758998119 /nfs/dbraw/zinc/99/81/19/758998119.db2.gz HCUWXVYDRXWAKA-LLVKDONJSA-N 1 2 355.198 3.127 20 10 FGCDLO C[N@H+](Cc1noc(-c2ccccc2)n1)Cc1ccc(N2CCOCC2)cc1 ZINC000073021391 494306812 /nfs/dbraw/zinc/30/68/12/494306812.db2.gz HNUCIEBQAJVBJS-UHFFFAOYSA-N 1 2 364.449 3.205 20 10 FGCDLO C[N@@H+](Cc1noc(-c2ccccc2)n1)Cc1ccc(N2CCOCC2)cc1 ZINC000073021391 494306816 /nfs/dbraw/zinc/30/68/16/494306816.db2.gz HNUCIEBQAJVBJS-UHFFFAOYSA-N 1 2 364.449 3.205 20 10 FGCDLO CC(C)Cn1cnnc1[C@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000093477842 494895021 /nfs/dbraw/zinc/89/50/21/494895021.db2.gz VGQDLBJYMDWWQN-HXUWFJFHSA-N 1 2 369.513 3.108 20 10 FGCDLO CC(C)Cn1cnnc1[C@H]1CCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000093477842 494895024 /nfs/dbraw/zinc/89/50/24/494895024.db2.gz VGQDLBJYMDWWQN-HXUWFJFHSA-N 1 2 369.513 3.108 20 10 FGCDLO CC1CCN(c2ccc(CNC(=O)N(C)CCCn3cc[nH+]c3)cc2)CC1 ZINC000119857098 495256295 /nfs/dbraw/zinc/25/62/95/495256295.db2.gz GOJFIJNOPPUKSS-UHFFFAOYSA-N 1 2 369.513 3.351 20 10 FGCDLO Cc1cc(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(C)n1-c1ccccn1 ZINC000125370132 495433494 /nfs/dbraw/zinc/43/34/94/495433494.db2.gz ZGAMVQQSXLZGKT-KXBFYZLASA-N 1 2 363.465 3.409 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)c1O ZINC000177452563 496066966 /nfs/dbraw/zinc/06/69/66/496066966.db2.gz SJRSECQZQNTUMH-KRWDZBQOSA-N 1 2 367.873 3.408 20 10 FGCDLO C[C@H]([NH2+]CCCc1nnc2n1CCCCC2)c1ccc(F)c(F)c1O ZINC000187693556 496537798 /nfs/dbraw/zinc/53/77/98/496537798.db2.gz QVQTVIVSDXFNFD-LBPRGKRZSA-N 1 2 350.413 3.272 20 10 FGCDLO C[C@@H]1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000153847127 496600170 /nfs/dbraw/zinc/60/01/70/496600170.db2.gz LYDUNBWGVIWYPY-XLIONFOSSA-N 1 2 365.481 3.052 20 10 FGCDLO Cn1cc([C@H]2CSCC[N@@H+]2Cc2cc(Br)ccc2O)cn1 ZINC000191743585 496875123 /nfs/dbraw/zinc/87/51/23/496875123.db2.gz CKJPPAQVCLXNAX-CQSZACIVSA-N 1 2 368.300 3.178 20 10 FGCDLO Cn1cc([C@H]2CSCC[N@H+]2Cc2cc(Br)ccc2O)cn1 ZINC000191743585 496875129 /nfs/dbraw/zinc/87/51/29/496875129.db2.gz CKJPPAQVCLXNAX-CQSZACIVSA-N 1 2 368.300 3.178 20 10 FGCDLO COc1ccc(OC)c([C@@H](O)C[NH2+][C@@H](C)c2ccc(F)c(F)c2O)c1 ZINC000191193956 497739887 /nfs/dbraw/zinc/73/98/87/497739887.db2.gz YRPNXPVJIOQDRC-BONVTDFDSA-N 1 2 353.365 3.072 20 10 FGCDLO COc1ccc([NH+]2CCC(Nc3ccc4nnc(C5CC5)n4n3)CC2)cc1 ZINC000301155779 497974727 /nfs/dbraw/zinc/97/47/27/497974727.db2.gz ABNWIYZZSPRQQL-UHFFFAOYSA-N 1 2 364.453 3.091 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)[C@@H]3Cc4ccccc4O3)CC2)cc1 ZINC000360427328 498274442 /nfs/dbraw/zinc/27/44/42/498274442.db2.gz UIPSPKVBLWCPAF-NRFANRHFSA-N 1 2 366.461 3.126 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)Nc3nc(C)c(C)o3)CC2)cc1 ZINC000363452498 498828464 /nfs/dbraw/zinc/82/84/64/498828464.db2.gz ICYRBZVFTXZZHZ-UHFFFAOYSA-N 1 2 358.442 3.433 20 10 FGCDLO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)NCc1ccccc1O ZINC000299471801 499069491 /nfs/dbraw/zinc/06/94/91/499069491.db2.gz DCYRHYGNQWFUBB-UHFFFAOYSA-N 1 2 354.454 3.167 20 10 FGCDLO CC[C@@H]([NH2+][C@@H]1CCCN(Cc2noc(C)n2)C1)c1cccc(Cl)c1O ZINC000367895611 499242550 /nfs/dbraw/zinc/24/25/50/499242550.db2.gz JVCMIMXHDANERL-CZUORRHYSA-N 1 2 364.877 3.442 20 10 FGCDLO CC[C@H]([NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1)c1cccc(Cl)c1O ZINC000367896790 499242968 /nfs/dbraw/zinc/24/29/68/499242968.db2.gz PDQOCXWQBDAFBG-DYVFJYSZSA-N 1 2 373.884 3.464 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)c3ccc(C)cc3O)CC2)cc1 ZINC000368867540 499341371 /nfs/dbraw/zinc/34/13/71/499341371.db2.gz ROOKHNPRZONEOX-UHFFFAOYSA-N 1 2 354.450 3.450 20 10 FGCDLO CC[C@@H]([NH2+][C@@H]1CCc2cn[nH]c2C1)c1cc(Br)ccc1O ZINC000372344514 499423183 /nfs/dbraw/zinc/42/31/83/499423183.db2.gz GCRSTHOVNYTPCE-TZMCWYRMSA-N 1 2 350.260 3.476 20 10 FGCDLO Cc1c2ccccc2n(C)c1CNC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000527467205 503799555 /nfs/dbraw/zinc/79/95/55/503799555.db2.gz WUQZCFZVTLXRFV-UHFFFAOYSA-N 1 2 351.454 3.230 20 10 FGCDLO COCCn1c(C)c(C)c2cc(C(=O)NCc3c[nH+]ccc3OC)ccc21 ZINC000558251897 505344848 /nfs/dbraw/zinc/34/48/48/505344848.db2.gz AIVGOOOXUIWZQM-UHFFFAOYSA-N 1 2 367.449 3.238 20 10 FGCDLO Oc1c(F)cc(Br)cc1C[NH2+]C1CCC2(CC1)OCCO2 ZINC000715744624 722416251 /nfs/dbraw/zinc/41/62/51/722416251.db2.gz JLLCPBUIQJZDPZ-UHFFFAOYSA-N 1 2 360.223 3.069 20 10 FGCDLO Oc1c(Br)cccc1C[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000731450299 722475431 /nfs/dbraw/zinc/47/54/31/722475431.db2.gz ZRTXKPIKIIWNMY-UHFFFAOYSA-N 1 2 367.209 3.271 20 10 FGCDLO O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)C1=CC(=O)CS1 ZINC000731871172 722478782 /nfs/dbraw/zinc/47/87/82/722478782.db2.gz YXNRKUVFLXHLKS-UHFFFAOYSA-N 1 2 352.406 3.126 20 10 FGCDLO Cc1nc(NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc[nH+]1 ZINC000742393464 722556739 /nfs/dbraw/zinc/55/67/39/722556739.db2.gz MTTRJCZRAXMRTC-UHFFFAOYSA-N 1 2 352.360 3.253 20 10 FGCDLO C[C@H]([NH2+][C@H]1CCN(CC2CC2)C1)c1cc(Br)cc(F)c1O ZINC000756553979 722966763 /nfs/dbraw/zinc/96/67/63/722966763.db2.gz NOYVRNHNQIKIJA-GWCFXTLKSA-N 1 2 357.267 3.429 20 10 FGCDLO C[C@H](Nc1ccc(N(C)CCO)c[nH+]1)c1ccc(Br)cc1O ZINC000756844762 722970635 /nfs/dbraw/zinc/97/06/35/722970635.db2.gz MAZVUEXOTVDIII-NSHDSACASA-N 1 2 366.259 3.151 20 10 FGCDLO Cc1cc(C)c2c(N)c(C(=O)OCc3cc[nH+]c(N(C)C)c3)sc2n1 ZINC000763293979 723330799 /nfs/dbraw/zinc/33/07/99/723330799.db2.gz MMVZTYBPNJYSBR-UHFFFAOYSA-N 1 2 356.451 3.313 20 10 FGCDLO C[C@@H]([NH2+][C@@H](C(N)=O)c1cccc(Br)c1)c1ccc(F)cc1O ZINC000794826554 723547967 /nfs/dbraw/zinc/54/79/67/723547967.db2.gz CJUDXMJUUYMREO-RFAUZJTJSA-N 1 2 367.218 3.171 20 10 FGCDLO Oc1cc2c(cc1C[N@@H+]1CCO[C@H](c3ccccc3Cl)C1)[C@H](O)CO2 ZINC000768452188 723658007 /nfs/dbraw/zinc/65/80/07/723658007.db2.gz PSPTUSSXZKXKFM-MJGOQNOKSA-N 1 2 361.825 3.045 20 10 FGCDLO Oc1cc2c(cc1C[N@H+]1CCO[C@H](c3ccccc3Cl)C1)[C@H](O)CO2 ZINC000768452188 723658008 /nfs/dbraw/zinc/65/80/08/723658008.db2.gz PSPTUSSXZKXKFM-MJGOQNOKSA-N 1 2 361.825 3.045 20 10 FGCDLO COC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2cccc(Br)c2O)C1 ZINC000775346238 723984022 /nfs/dbraw/zinc/98/40/22/723984022.db2.gz KXWGXCPHUHPBDN-DGCLKSJQSA-N 1 2 371.275 3.111 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(Oc3cnccn3)CC2)c1O ZINC000785898914 724946265 /nfs/dbraw/zinc/94/62/65/724946265.db2.gz SYGINHMUGVLQQF-UHFFFAOYSA-N 1 2 361.829 3.082 20 10 FGCDLO CC[C@@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1cccc(Cl)c1O ZINC000806132922 725117144 /nfs/dbraw/zinc/11/71/44/725117144.db2.gz CQGPNYZMHYBUKQ-AEFFLSMTSA-N 1 2 370.946 3.294 20 10 FGCDLO CC[C@H]([NH2+]C[C@@H](N1CCOCC1)C(F)(F)F)c1cccc(Cl)c1O ZINC000806166078 725119118 /nfs/dbraw/zinc/11/91/18/725119118.db2.gz OYWGZROSOWYPJS-UONOGXRCSA-N 1 2 366.811 3.349 20 10 FGCDLO COC(=O)C[C@](C)([NH2+]Cc1cc(Cl)cc(F)c1O)c1ccncc1 ZINC000789553750 725136335 /nfs/dbraw/zinc/13/63/35/725136335.db2.gz DGUPDJVQXNPTEP-KRWDZBQOSA-N 1 2 352.793 3.148 20 10 FGCDLO C[C@H](NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000822081631 729145862 /nfs/dbraw/zinc/14/58/62/729145862.db2.gz GFEIZYYHNHHZNW-WFASDCNBSA-N 1 2 354.376 3.320 20 10 FGCDLO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@]3(CCS(=O)(=O)C3)C2)cc1F ZINC000824978009 729366649 /nfs/dbraw/zinc/36/66/49/729366649.db2.gz QECVRIYDCRJBTK-LJQANCHMSA-N 1 2 368.518 3.073 20 10 FGCDLO CCN(CC)c1ccc(C[N@H+]2CCC[C@@]3(CCS(=O)(=O)C3)C2)cc1F ZINC000824978009 729366650 /nfs/dbraw/zinc/36/66/50/729366650.db2.gz QECVRIYDCRJBTK-LJQANCHMSA-N 1 2 368.518 3.073 20 10 FGCDLO C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@@H](CC(F)(F)F)O1 ZINC000827789648 729434914 /nfs/dbraw/zinc/43/49/14/729434914.db2.gz XXJNWJNSCYIDBL-WMLDXEAASA-N 1 2 358.404 3.065 20 10 FGCDLO C[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)C[C@@H](CC(F)(F)F)O1 ZINC000827789648 729434915 /nfs/dbraw/zinc/43/49/15/729434915.db2.gz XXJNWJNSCYIDBL-WMLDXEAASA-N 1 2 358.404 3.065 20 10 FGCDLO CC1(c2nnc(-c3cccnc3)o2)C[NH+](Cc2cccc(Cl)c2O)C1 ZINC000828044555 729439115 /nfs/dbraw/zinc/43/91/15/729439115.db2.gz SVZCGBFQKSIEMW-UHFFFAOYSA-N 1 2 356.813 3.264 20 10 FGCDLO C[C@H]([NH2+][C@H]1CCN(CC(F)F)C1)c1cc(Br)cc(F)c1O ZINC000841765376 730272247 /nfs/dbraw/zinc/27/22/47/730272247.db2.gz RCFLVJPKZNKOMY-WPRPVWTQSA-N 1 2 367.209 3.284 20 10 FGCDLO C[C@H]([NH2+][C@H]1C[C@@H](C)n2ncnc21)c1cc(Br)cc(F)c1O ZINC000850498926 731364752 /nfs/dbraw/zinc/36/47/52/731364752.db2.gz GCCBIILYOLAPFD-LWINAJNOSA-N 1 2 355.211 3.242 20 10 FGCDLO CN(C)c1cc(F)c(C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)cc1F ZINC000862250124 732798585 /nfs/dbraw/zinc/79/85/85/732798585.db2.gz IWWPEASYABZRNU-HNNXBMFYSA-N 1 2 352.347 3.166 20 10 FGCDLO C[S@](=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000883166960 737531576 /nfs/dbraw/zinc/53/15/76/737531576.db2.gz MRSISCXTEDEFNH-HTGLOVNISA-N 1 2 364.280 3.073 20 10 FGCDLO CCCN(Cc1ccccc1O)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000924769967 759384951 /nfs/dbraw/zinc/38/49/51/759384951.db2.gz NBAGMGSWNJSXFW-UHFFFAOYSA-N 1 2 362.499 3.032 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)NC(C3CC3)C3CC3)CC2)cc1 ZINC000066177562 494284838 /nfs/dbraw/zinc/28/48/38/494284838.db2.gz PWSBRCDNWGHVIM-UHFFFAOYSA-N 1 2 357.498 3.494 20 10 FGCDLO CN(C)c1ccc(CN(C)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC000045634842 494446653 /nfs/dbraw/zinc/44/66/53/494446653.db2.gz DBRXFDSKSYHJQM-UHFFFAOYSA-N 1 2 367.497 3.089 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(OC[C@H]3CCOC3)CC2)c1O ZINC000132019707 494800953 /nfs/dbraw/zinc/80/09/53/494800953.db2.gz REUDSIFJJZIJLF-AWEZNQCLSA-N 1 2 367.873 3.266 20 10 FGCDLO Oc1c(Cl)cc(Cl)cc1C[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000093150459 494836173 /nfs/dbraw/zinc/83/61/73/494836173.db2.gz KLKDPQMVOLPUOC-UHFFFAOYSA-N 1 2 353.253 3.201 20 10 FGCDLO Oc1c(Cl)cc(Cl)cc1C[N@H+]1CCCN(c2cccnn2)CC1 ZINC000093150459 494836176 /nfs/dbraw/zinc/83/61/76/494836176.db2.gz KLKDPQMVOLPUOC-UHFFFAOYSA-N 1 2 353.253 3.201 20 10 FGCDLO COc1cc(N(C)Cc2ccc(N3CCCC3)[nH+]c2)cc(OC)c1OC ZINC000180756076 496133148 /nfs/dbraw/zinc/13/31/48/496133148.db2.gz WBTWRFOGXZYWRT-UHFFFAOYSA-N 1 2 357.454 3.344 20 10 FGCDLO COc1cc(O)c(C[N@@H+]2CCO[C@@H](c3ccc(F)cc3F)C2)cc1OC ZINC000186956095 496227780 /nfs/dbraw/zinc/22/77/80/496227780.db2.gz YDEOUWMYNZWRLN-LJQANCHMSA-N 1 2 365.376 3.261 20 10 FGCDLO COc1cc(O)c(C[N@H+]2CCO[C@@H](c3ccc(F)cc3F)C2)cc1OC ZINC000186956095 496227784 /nfs/dbraw/zinc/22/77/84/496227784.db2.gz YDEOUWMYNZWRLN-LJQANCHMSA-N 1 2 365.376 3.261 20 10 FGCDLO O=C(c1ccccn1)N1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000271064854 497257308 /nfs/dbraw/zinc/25/73/08/497257308.db2.gz IETHLABQVLAAPV-UHFFFAOYSA-N 1 2 364.493 3.030 20 10 FGCDLO CCN(CC)c1ccc(C[N@H+](C)Cc2nc([C@H](C)OC)no2)cc1F ZINC000271242147 497301172 /nfs/dbraw/zinc/30/11/72/497301172.db2.gz YZGNNJONVPJZTK-ZDUSSCGKSA-N 1 2 350.438 3.394 20 10 FGCDLO CCN(CC)c1ccc(C[N@@H+](C)Cc2nc([C@H](C)OC)no2)cc1F ZINC000271242147 497301175 /nfs/dbraw/zinc/30/11/75/497301175.db2.gz YZGNNJONVPJZTK-ZDUSSCGKSA-N 1 2 350.438 3.394 20 10 FGCDLO CCN(CC)c1ccc(C[N@@H+]2C[C@@H](OC)C[C@@H]2c2nc(C)no2)cc1F ZINC000190153622 497378222 /nfs/dbraw/zinc/37/82/22/497378222.db2.gz FZDZVVZJLXTWOP-MAUKXSAKSA-N 1 2 362.449 3.325 20 10 FGCDLO CCN(CC)c1ccc(C[N@H+]2C[C@@H](OC)C[C@@H]2c2nc(C)no2)cc1F ZINC000190153622 497378227 /nfs/dbraw/zinc/37/82/27/497378227.db2.gz FZDZVVZJLXTWOP-MAUKXSAKSA-N 1 2 362.449 3.325 20 10 FGCDLO Fc1ccc([C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)c2ncc[nH]2)cc1 ZINC000275824692 497441035 /nfs/dbraw/zinc/44/10/35/497441035.db2.gz HBIDVVKVPBXQJT-HXUWFJFHSA-N 1 2 366.440 3.265 20 10 FGCDLO CCN(CC)c1ccc(C[NH2+][C@H]2CS(=O)(=O)c3ccccc32)cc1F ZINC000267914794 497638619 /nfs/dbraw/zinc/63/86/19/497638619.db2.gz GFIIBOQCWSQFHY-KRWDZBQOSA-N 1 2 362.470 3.290 20 10 FGCDLO C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CCOCC1)c1ccc(F)c(F)c1O ZINC000191183150 497735868 /nfs/dbraw/zinc/73/58/68/497735868.db2.gz IOTCMXGPYGNXNH-DOMZBBRYSA-N 1 2 368.449 3.456 20 10 FGCDLO C[C@@H]([NH2+][C@H](c1nccn1C)C1CCOCC1)c1ccc(F)c(F)c1O ZINC000284740814 497885710 /nfs/dbraw/zinc/88/57/10/497885710.db2.gz FCNSVVBPTBMYKY-BZNIZROVSA-N 1 2 351.397 3.222 20 10 FGCDLO CN(C)c1ccc(C[N@H+](Cc2ncc(C3OCCO3)s2)C2CC2)cc1 ZINC000289156127 498037601 /nfs/dbraw/zinc/03/76/01/498037601.db2.gz QRUYPBGRXASRQH-UHFFFAOYSA-N 1 2 359.495 3.419 20 10 FGCDLO CN(C)c1ccc(C[N@@H+](Cc2ncc(C3OCCO3)s2)C2CC2)cc1 ZINC000289156127 498037607 /nfs/dbraw/zinc/03/76/07/498037607.db2.gz QRUYPBGRXASRQH-UHFFFAOYSA-N 1 2 359.495 3.419 20 10 FGCDLO COCCn1cc2c(n1)[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1O)CCC2 ZINC000364784918 498141329 /nfs/dbraw/zinc/14/13/29/498141329.db2.gz JGXTUSBPISMATI-NHYWBVRUSA-N 1 2 351.397 3.242 20 10 FGCDLO CC1CCN(c2ccc(CNc3[nH+]cnc(-n4cccn4)c3N)cc2)CC1 ZINC000301800285 498269281 /nfs/dbraw/zinc/26/92/81/498269281.db2.gz SRDMUBKOXLYIMW-UHFFFAOYSA-N 1 2 363.469 3.093 20 10 FGCDLO Cc1cc(Br)cc(C[N@@H+]2CCOC[C@H]2[C@H]2CCCC2=O)c1O ZINC000365148466 498322631 /nfs/dbraw/zinc/32/26/31/498322631.db2.gz DPRQSKDOOWWCEE-CABCVRRESA-N 1 2 368.271 3.033 20 10 FGCDLO Cc1cc(Br)cc(C[N@H+]2CCOC[C@H]2[C@H]2CCCC2=O)c1O ZINC000365148466 498322640 /nfs/dbraw/zinc/32/26/40/498322640.db2.gz DPRQSKDOOWWCEE-CABCVRRESA-N 1 2 368.271 3.033 20 10 FGCDLO CC(C)c1nc(N(C)C)nc(N[C@@H](C)c2ccc(N3CCOCC3)cc2)[nH+]1 ZINC000301955089 498343576 /nfs/dbraw/zinc/34/35/76/498343576.db2.gz DXAMFIVLJRDFMR-HNNXBMFYSA-N 1 2 370.501 3.071 20 10 FGCDLO CC(C)c1nc(N[C@@H](C)c2ccc(N3CCOCC3)cc2)nc(N(C)C)[nH+]1 ZINC000301955089 498343584 /nfs/dbraw/zinc/34/35/84/498343584.db2.gz DXAMFIVLJRDFMR-HNNXBMFYSA-N 1 2 370.501 3.071 20 10 FGCDLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCc1ccc2c(c1)CCN2C ZINC000365382999 498435741 /nfs/dbraw/zinc/43/57/41/498435741.db2.gz YVWSXALFCXLITI-UHFFFAOYSA-N 1 2 369.513 3.060 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)c3ccc4c(c3)OCO4)CC2)cc1 ZINC000363325683 498763335 /nfs/dbraw/zinc/76/33/35/498763335.db2.gz JACGTHRTMJBZLC-UHFFFAOYSA-N 1 2 368.433 3.165 20 10 FGCDLO Cc1cc[nH+]c(C)c1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000287657985 498827796 /nfs/dbraw/zinc/82/77/96/498827796.db2.gz WVRQBLABABQPJM-UHFFFAOYSA-N 1 2 368.481 3.229 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCCC[C@H]2CCS(C)(=O)=O)c1O ZINC000366374043 498898413 /nfs/dbraw/zinc/89/84/13/498898413.db2.gz GZQUGCUNTYIQRW-HNNXBMFYSA-N 1 2 373.902 3.037 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCCC[C@H]2CCS(C)(=O)=O)c1O ZINC000366374043 498898421 /nfs/dbraw/zinc/89/84/21/498898421.db2.gz GZQUGCUNTYIQRW-HNNXBMFYSA-N 1 2 373.902 3.037 20 10 FGCDLO Cc1cn2c([nH+]1)CN(C(=O)NCc1ccc(N3CCC(C)CC3)cc1)CC2 ZINC000363703330 498950471 /nfs/dbraw/zinc/95/04/71/498950471.db2.gz UHKVIGINZRBURK-UHFFFAOYSA-N 1 2 367.497 3.153 20 10 FGCDLO CCCN(Cc1ccccc1O)C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000369123788 499367966 /nfs/dbraw/zinc/36/79/66/499367966.db2.gz FCZULRHSUWSXTH-UHFFFAOYSA-N 1 2 365.437 3.095 20 10 FGCDLO Cc1c2ccccc2n(C)c1CNC(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000471712655 502115817 /nfs/dbraw/zinc/11/58/17/502115817.db2.gz DHTGSZSJRYJRDV-UHFFFAOYSA-N 1 2 361.449 3.442 20 10 FGCDLO C[C@@H]([NH2+]CC1COC1)c1cc(Br)cc(Br)c1O ZINC000528026188 504045008 /nfs/dbraw/zinc/04/50/08/504045008.db2.gz PNLCUZISYOZQKA-SSDOTTSWSA-N 1 2 365.065 3.214 20 10 FGCDLO C[C@H]1CCN(C(=O)NCCCSc2nccs2)C[C@@H]1n1cc[nH+]c1 ZINC000154571956 705040015 /nfs/dbraw/zinc/04/00/15/705040015.db2.gz XNJROMDEMGRZCW-KBPBESRZSA-N 1 2 365.528 3.115 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCCN(CC(F)(F)F)CC2)c1O ZINC000177209461 705612575 /nfs/dbraw/zinc/61/25/75/705612575.db2.gz LIEAWFRUNVXFOZ-UHFFFAOYSA-N 1 2 364.795 3.318 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCCN(CC(F)(F)F)CC2)c1O ZINC000177209461 705612580 /nfs/dbraw/zinc/61/25/80/705612580.db2.gz LIEAWFRUNVXFOZ-UHFFFAOYSA-N 1 2 364.795 3.318 20 10 FGCDLO CCC(CC)[C@@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1O)N1CCOCC1 ZINC000756399376 722964006 /nfs/dbraw/zinc/96/40/06/722964006.db2.gz NVOVONZFELNZDY-SCLBCKFNSA-N 1 2 356.457 3.458 20 10 FGCDLO C[C@@H]([NH2+]C[C@H](O)C(F)(F)F)c1cc(Br)cc(Cl)c1O ZINC000756449813 722964852 /nfs/dbraw/zinc/96/48/52/722964852.db2.gz OELWCOFZAOWGHW-ANLVUFKYSA-N 1 2 362.573 3.382 20 10 FGCDLO C[C@@H]([NH2+]CCCO[C@H]1CCOC1)c1cc(Br)c(F)cc1O ZINC000756649056 722968205 /nfs/dbraw/zinc/96/82/05/722968205.db2.gz CKQGSJYMQYHCCU-MNOVXSKESA-N 1 2 362.239 3.140 20 10 FGCDLO NC(=O)[C@H](C[NH2+]Cc1cccc(Cl)c1O)Cc1ccccc1Cl ZINC000757908235 722981119 /nfs/dbraw/zinc/98/11/19/722981119.db2.gz ZUQDUNLJDBMDRK-ZDUSSCGKSA-N 1 2 353.249 3.133 20 10 FGCDLO CS(=O)(=O)c1ccc(C[NH2+]Cc2cccc(Cl)c2O)cc1Cl ZINC000763421375 723341780 /nfs/dbraw/zinc/34/17/80/723341780.db2.gz UWQZRFWTSGWTNJ-UHFFFAOYSA-N 1 2 360.262 3.392 20 10 FGCDLO CCOC(=O)CC[N@@H+](Cc1cccc(Br)c1O)CC1CC1 ZINC000769121311 723677441 /nfs/dbraw/zinc/67/74/41/723677441.db2.gz GMOCKWDZQNGXLR-UHFFFAOYSA-N 1 2 356.260 3.320 20 10 FGCDLO CCOC(=O)CC[N@H+](Cc1cccc(Br)c1O)CC1CC1 ZINC000769121311 723677442 /nfs/dbraw/zinc/67/74/42/723677442.db2.gz GMOCKWDZQNGXLR-UHFFFAOYSA-N 1 2 356.260 3.320 20 10 FGCDLO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2Cc2cc(Cl)cc(F)c2O)C[C@@H](C)O1 ZINC000775660700 724018493 /nfs/dbraw/zinc/01/84/93/724018493.db2.gz GWBDGTNRMRZTJI-XJKCOSOUSA-N 1 2 356.869 3.258 20 10 FGCDLO C[C@@H]1CN(C[C@H]2CCC[N@H+]2Cc2cc(Cl)cc(F)c2O)C[C@@H](C)O1 ZINC000775660700 724018498 /nfs/dbraw/zinc/01/84/98/724018498.db2.gz GWBDGTNRMRZTJI-XJKCOSOUSA-N 1 2 356.869 3.258 20 10 FGCDLO COc1cc(C)[nH+]c(/C=C2/SC(=S)N(CCc3cccnc3)C2=O)c1 ZINC000776725457 724174185 /nfs/dbraw/zinc/17/41/85/724174185.db2.gz BGCZMJCIICMIHX-MHWRWJLKSA-N 1 2 371.487 3.238 20 10 FGCDLO COc1cc(C)[nH+]c(/C=C2/SC(=S)N(CCCSC)C2=O)c1 ZINC000776726515 724174588 /nfs/dbraw/zinc/17/45/88/724174588.db2.gz KGWWSKROIAQQEI-UKTHLTGXSA-N 1 2 354.522 3.353 20 10 FGCDLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1cc(C)cc(Br)c1O ZINC000786580081 724989866 /nfs/dbraw/zinc/98/98/66/724989866.db2.gz XKIYUGJCAYNHKR-LNSITVRQSA-N 1 2 368.271 3.237 20 10 FGCDLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1cc(C)cc(Br)c1O ZINC000786580081 724989867 /nfs/dbraw/zinc/98/98/67/724989867.db2.gz XKIYUGJCAYNHKR-LNSITVRQSA-N 1 2 368.271 3.237 20 10 FGCDLO CCN(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1O ZINC000788981737 725100668 /nfs/dbraw/zinc/10/06/68/725100668.db2.gz GBSRFQCSHWYFMX-DTWKUNHWSA-N 1 2 363.683 3.326 20 10 FGCDLO CC[C@@H]([NH2+]C[C@H](N1CCOCC1)C(F)(F)F)c1cccc(Cl)c1O ZINC000806166077 725119076 /nfs/dbraw/zinc/11/90/76/725119076.db2.gz OYWGZROSOWYPJS-KGLIPLIRSA-N 1 2 366.811 3.349 20 10 FGCDLO CN(C)C(=O)OC[C@H]1CCCC[N@@H+]1Cc1cccc(Br)c1O ZINC000809708757 725261142 /nfs/dbraw/zinc/26/11/42/725261142.db2.gz JAEUZSNEQHCKHI-CYBMUJFWSA-N 1 2 371.275 3.207 20 10 FGCDLO CN(C)C(=O)OC[C@H]1CCCC[N@H+]1Cc1cccc(Br)c1O ZINC000809708757 725261143 /nfs/dbraw/zinc/26/11/43/725261143.db2.gz JAEUZSNEQHCKHI-CYBMUJFWSA-N 1 2 371.275 3.207 20 10 FGCDLO Cc1cc(Br)c(O)c(C[N@H+](CCN(C)C)C[C@@H]2CCCO2)c1 ZINC000809737158 725263870 /nfs/dbraw/zinc/26/38/70/725263870.db2.gz DGGBXBLXZZSZKL-HNNXBMFYSA-N 1 2 371.319 3.006 20 10 FGCDLO Cc1cc(Br)c(O)c(C[N@@H+](CCN(C)C)C[C@@H]2CCCO2)c1 ZINC000809737158 725263872 /nfs/dbraw/zinc/26/38/72/725263872.db2.gz DGGBXBLXZZSZKL-HNNXBMFYSA-N 1 2 371.319 3.006 20 10 FGCDLO O=C(NCC1CC[NH+](Cc2cc(Cl)c(F)cc2O)CC1)C(F)(F)F ZINC000816598972 727179101 /nfs/dbraw/zinc/17/91/01/727179101.db2.gz XZXONXRWASXLEL-UHFFFAOYSA-N 1 2 368.758 3.075 20 10 FGCDLO Oc1cc(F)c(Cl)cc1C[NH2+]CCCn1cc(Br)cn1 ZINC000816613235 727180888 /nfs/dbraw/zinc/18/08/88/727180888.db2.gz NKNPRXWNSCCQBC-UHFFFAOYSA-N 1 2 362.630 3.324 20 10 FGCDLO COc1ccc(O)c(C[NH2+][C@H](CCNC(=O)OC(C)(C)C)C(F)F)c1 ZINC000824672393 729354207 /nfs/dbraw/zinc/35/42/07/729354207.db2.gz BHDHRHQDPVPZQO-CYBMUJFWSA-N 1 2 360.401 3.039 20 10 FGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826511045 729408302 /nfs/dbraw/zinc/40/83/02/729408302.db2.gz ZMAJZLOGNYZAJJ-UHFFFAOYSA-N 1 2 359.792 3.144 20 10 FGCDLO Cc1cc(C(=O)C[N@H+](CCCO)C2CC2)c(C)n1-c1ccc(Cl)cn1 ZINC000827852604 729435986 /nfs/dbraw/zinc/43/59/86/729435986.db2.gz LKEIJSVPDSUMDB-UHFFFAOYSA-N 1 2 361.873 3.172 20 10 FGCDLO Cc1cc(C(=O)C[N@@H+](CCCO)C2CC2)c(C)n1-c1ccc(Cl)cn1 ZINC000827852604 729435987 /nfs/dbraw/zinc/43/59/87/729435987.db2.gz LKEIJSVPDSUMDB-UHFFFAOYSA-N 1 2 361.873 3.172 20 10 FGCDLO CC[N@H+](Cc1cn(CC2CC2)nn1)Cc1cc(Br)ccc1O ZINC000827944553 729437657 /nfs/dbraw/zinc/43/76/57/729437657.db2.gz JHSJLLJTUJZDOS-UHFFFAOYSA-N 1 2 365.275 3.178 20 10 FGCDLO CC[N@@H+](Cc1cn(CC2CC2)nn1)Cc1cc(Br)ccc1O ZINC000827944553 729437658 /nfs/dbraw/zinc/43/76/58/729437658.db2.gz JHSJLLJTUJZDOS-UHFFFAOYSA-N 1 2 365.275 3.178 20 10 FGCDLO C[N@@H+]1CC[C@H](NC(=O)Cc2ccc(N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000831452813 729643318 /nfs/dbraw/zinc/64/33/18/729643318.db2.gz UFTJGVZBTHTYKJ-HKUYNNGSSA-N 1 2 361.848 3.165 20 10 FGCDLO C[N@H+]1CC[C@H](NC(=O)Cc2ccc(N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000831452813 729643321 /nfs/dbraw/zinc/64/33/21/729643321.db2.gz UFTJGVZBTHTYKJ-HKUYNNGSSA-N 1 2 361.848 3.165 20 10 FGCDLO C[C@@H]([NH2+]Cc1nc(C(N)=O)cs1)c1ccc(N2CCCCCC2)cc1 ZINC000850541502 731371388 /nfs/dbraw/zinc/37/13/88/731371388.db2.gz WUBZKZZDHUVIQF-CQSZACIVSA-N 1 2 358.511 3.473 20 10 FGCDLO COCC[N@H+](Cc1cccnc1)Cc1c(O)cccc1Br ZINC000862367557 732817461 /nfs/dbraw/zinc/81/74/61/732817461.db2.gz MYMHAZAMBLBNSB-UHFFFAOYSA-N 1 2 351.244 3.198 20 10 FGCDLO COCC[N@@H+](Cc1cccnc1)Cc1c(O)cccc1Br ZINC000862367557 732817464 /nfs/dbraw/zinc/81/74/64/732817464.db2.gz MYMHAZAMBLBNSB-UHFFFAOYSA-N 1 2 351.244 3.198 20 10 FGCDLO CCC1([NH+]2CCOCC2)CCN(Cc2c(O)ccc(Cl)c2F)CC1 ZINC000862536048 732845367 /nfs/dbraw/zinc/84/53/67/732845367.db2.gz FOSOMXSUMDYDFU-UHFFFAOYSA-N 1 2 356.869 3.262 20 10 FGCDLO CCC1([NH+]2CCOCC2)CCN(Cc2c(O)cc(C)cc2Cl)CC1 ZINC000862536611 732846206 /nfs/dbraw/zinc/84/62/06/732846206.db2.gz QGSCOKZBPYFJTN-UHFFFAOYSA-N 1 2 352.906 3.431 20 10 FGCDLO O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)NCCCSc1nccs1 ZINC000874466405 735872970 /nfs/dbraw/zinc/87/29/70/735872970.db2.gz OCPFOPFVWJTVKB-SNVBAGLBSA-N 1 2 364.418 3.132 20 10 FGCDLO CCN(C[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2O)C1)CC(F)(F)F ZINC000876781849 736143921 /nfs/dbraw/zinc/14/39/21/736143921.db2.gz OCSFHGKQTFJOTF-LLVKDONJSA-N 1 2 352.347 3.377 20 10 FGCDLO CCN(C[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2O)C1)CC(F)(F)F ZINC000876781849 736143925 /nfs/dbraw/zinc/14/39/25/736143925.db2.gz OCSFHGKQTFJOTF-LLVKDONJSA-N 1 2 352.347 3.377 20 10 FGCDLO Oc1c(F)cc(Br)cc1C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000894083490 742236338 /nfs/dbraw/zinc/23/63/38/742236338.db2.gz DZDDWDCQGAJJCW-QWHCGFSZSA-N 1 2 362.264 3.000 20 10 FGCDLO Oc1c(F)cc(Br)cc1C[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000894083490 742236340 /nfs/dbraw/zinc/23/63/40/742236340.db2.gz DZDDWDCQGAJJCW-QWHCGFSZSA-N 1 2 362.264 3.000 20 10 FGCDLO COCCO[C@H]1CC[N@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC000894530797 742295898 /nfs/dbraw/zinc/29/58/98/742295898.db2.gz MTNZHXJRLYYCNJ-LBPRGKRZSA-N 1 2 364.667 3.045 20 10 FGCDLO COCCO[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC000894530797 742295900 /nfs/dbraw/zinc/29/59/00/742295900.db2.gz MTNZHXJRLYYCNJ-LBPRGKRZSA-N 1 2 364.667 3.045 20 10 FGCDLO Oc1c(Cl)cccc1C[NH2+][C@H]1CCc2ncc(Br)n2C1 ZINC000898725314 742826858 /nfs/dbraw/zinc/82/68/58/742826858.db2.gz SKLMWADWPFYDCN-JTQLQIEISA-N 1 2 356.651 3.109 20 10 FGCDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(N3CCCOC3=O)CC2)c1O ZINC000933617789 761439703 /nfs/dbraw/zinc/43/97/03/761439703.db2.gz BGXNYKQOGLBXEQ-UHFFFAOYSA-N 1 2 366.845 3.055 20 10 FGCDLO CC(C)Cn1cnnc1[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000093477841 494895326 /nfs/dbraw/zinc/89/53/26/494895326.db2.gz VGQDLBJYMDWWQN-FQEVSTJZSA-N 1 2 369.513 3.108 20 10 FGCDLO CC(C)Cn1cnnc1[C@@H]1CCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000093477841 494895328 /nfs/dbraw/zinc/89/53/28/494895328.db2.gz VGQDLBJYMDWWQN-FQEVSTJZSA-N 1 2 369.513 3.108 20 10 FGCDLO Cc1cc(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(C)n1-c1ccccn1 ZINC000125369912 495433961 /nfs/dbraw/zinc/43/39/61/495433961.db2.gz ZGAMVQQSXLZGKT-DNVCBOLYSA-N 1 2 363.465 3.409 20 10 FGCDLO C[C@@H]([NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(F)c(F)c1O ZINC000187808246 496579735 /nfs/dbraw/zinc/57/97/35/496579735.db2.gz YNCPCEQZUBVJLU-HIFRSBDPSA-N 1 2 360.404 3.370 20 10 FGCDLO C[C@@H]([NH2+]Cc1ccnc(OCC(F)(F)F)c1)c1cc([N+](=O)[O-])ccc1O ZINC000273303104 496768474 /nfs/dbraw/zinc/76/84/74/496768474.db2.gz CBVVVNCKLOBWAA-SNVBAGLBSA-N 1 2 371.315 3.487 20 10 FGCDLO CC[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1O)c1nnc2n1CCCCC2 ZINC000273563004 496841543 /nfs/dbraw/zinc/84/15/43/496841543.db2.gz IRIQJXRBJZKQKP-SWLSCSKDSA-N 1 2 359.430 3.420 20 10 FGCDLO Fc1ccc([C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)c2ncc[nH]2)cc1 ZINC000275824687 497440667 /nfs/dbraw/zinc/44/06/67/497440667.db2.gz HBIDVVKVPBXQJT-FQEVSTJZSA-N 1 2 366.440 3.265 20 10 FGCDLO CCOC(=O)c1csc(CC[NH2+][C@@H](C)c2ccc(F)c(F)c2O)n1 ZINC000276480710 497584693 /nfs/dbraw/zinc/58/46/93/497584693.db2.gz GAZDGFGHUCGYHG-VIFPVBQESA-N 1 2 356.394 3.197 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000364503046 497989917 /nfs/dbraw/zinc/98/99/17/497989917.db2.gz XKYMWYCSJNLUSO-UHFFFAOYSA-N 1 2 369.421 3.344 20 10 FGCDLO C[C@@H]([NH2+]C[C@H]1CCN(C(=O)Cc2ccccc2)C1)c1ccc(F)c(F)c1O ZINC000364797208 498147431 /nfs/dbraw/zinc/14/74/31/498147431.db2.gz XQTNONBIUVSLJZ-GDBMZVCRSA-N 1 2 374.431 3.412 20 10 FGCDLO Cc1[nH+]c(CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c2n1CCCC2 ZINC000360062661 498241894 /nfs/dbraw/zinc/24/18/94/498241894.db2.gz WHLJFCQYEYYSPH-HNNXBMFYSA-N 1 2 372.488 3.354 20 10 FGCDLO Cc1cc(Br)cc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCC2=O)c1O ZINC000365148475 498322859 /nfs/dbraw/zinc/32/28/59/498322859.db2.gz DPRQSKDOOWWCEE-LSDHHAIUSA-N 1 2 368.271 3.033 20 10 FGCDLO Cc1cc(Br)cc(C[N@H+]2CCOC[C@@H]2[C@@H]2CCCC2=O)c1O ZINC000365148475 498322865 /nfs/dbraw/zinc/32/28/65/498322865.db2.gz DPRQSKDOOWWCEE-LSDHHAIUSA-N 1 2 368.271 3.033 20 10 FGCDLO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000332933084 498839815 /nfs/dbraw/zinc/83/98/15/498839815.db2.gz JCVIVGAHDWMHTR-QRWLVFNGSA-N 1 2 365.481 3.476 20 10 FGCDLO COc1ccc([NH+]2CCC(N(C)C(=O)c3cn4ccnc4s3)CC2)cc1 ZINC000372618791 499154475 /nfs/dbraw/zinc/15/44/75/499154475.db2.gz KIJUZKQNLFADEF-UHFFFAOYSA-N 1 2 370.478 3.145 20 10 FGCDLO COc1cc(O)c(C[N@@H+]2CCCC[C@H]2c2noc(C3CC3)n2)cc1OC ZINC000371418521 499323812 /nfs/dbraw/zinc/32/38/12/499323812.db2.gz OZTHRQUFAKQCDH-AWEZNQCLSA-N 1 2 359.426 3.397 20 10 FGCDLO COc1cc(O)c(C[N@H+]2CCCC[C@H]2c2noc(C3CC3)n2)cc1OC ZINC000371418521 499323814 /nfs/dbraw/zinc/32/38/14/499323814.db2.gz OZTHRQUFAKQCDH-AWEZNQCLSA-N 1 2 359.426 3.397 20 10 FGCDLO O=C(NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2O)CC1)c1ccc[nH]1 ZINC000371421094 499324252 /nfs/dbraw/zinc/32/42/52/499324252.db2.gz MLKIJHCNLLFTJW-UHFFFAOYSA-N 1 2 368.264 3.422 20 10 FGCDLO Cn1cc([C@@H]2[C@H](C[NH2+]Cc3c(O)ccc(Cl)c3F)CCCN2C)cn1 ZINC000372976222 499445517 /nfs/dbraw/zinc/44/55/17/499445517.db2.gz IZDWBVAWKJFYSX-SGTLLEGYSA-N 1 2 366.868 3.091 20 10 FGCDLO Oc1ccc(Br)cc1C[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000375389650 499513028 /nfs/dbraw/zinc/51/30/28/499513028.db2.gz GBFMYXLNTILTMY-OAHLLOKOSA-N 1 2 359.227 3.152 20 10 FGCDLO CC[C@H]([NH2+]C1CCN(C(=O)c2cnccn2)CC1)c1cccc(Cl)c1O ZINC000376898458 499644546 /nfs/dbraw/zinc/64/45/46/499644546.db2.gz WBSGIEGGEFHUJF-INIZCTEOSA-N 1 2 374.872 3.181 20 10 FGCDLO CN1CCc2cc(C[NH2+]Cc3c(Cl)cccc3S(C)(=O)=O)ccc21 ZINC000376937118 499647718 /nfs/dbraw/zinc/64/77/18/499647718.db2.gz JKSGHSUHGQMLFU-UHFFFAOYSA-N 1 2 364.898 3.026 20 10 FGCDLO COc1c(O)c(C[NH+]2CCC(=Cc3cc(C)on3)CC2)ccc1[N+](=O)[O-] ZINC000377188874 499669191 /nfs/dbraw/zinc/66/91/91/499669191.db2.gz MVNFHNFHCMUDSG-UHFFFAOYSA-N 1 2 359.382 3.285 20 10 FGCDLO Cc1ccc2c(c1)[nH]cc2C1=CCN(c2cc(NC[C@H](C)O)[nH+]cn2)CC1 ZINC000413084411 499911521 /nfs/dbraw/zinc/91/15/21/499911521.db2.gz USKIKBALOSGHRQ-HNNXBMFYSA-N 1 2 363.465 3.353 20 10 FGCDLO Cc1ccc2c(c1)[nH]cc2C1=CCN(c2cc(NC[C@H](C)O)nc[nH+]2)CC1 ZINC000413084411 499911523 /nfs/dbraw/zinc/91/15/23/499911523.db2.gz USKIKBALOSGHRQ-HNNXBMFYSA-N 1 2 363.465 3.353 20 10 FGCDLO Cc1c2ccccc2n(C)c1CNC(=O)NCCCNc1cccc[nH+]1 ZINC000471664287 502103206 /nfs/dbraw/zinc/10/32/06/502103206.db2.gz UTLBDTYFXUBMFN-UHFFFAOYSA-N 1 2 351.454 3.183 20 10 FGCDLO Cc1ccc2[nH+]c(/C=C3/CCn4c3nc3ccc([N+](=O)[O-])cc3c4=O)cn2c1 ZINC000550975855 505135006 /nfs/dbraw/zinc/13/50/06/505135006.db2.gz NJABRPQZAHIRCA-JYRVWZFOSA-N 1 2 373.372 3.205 20 10 FGCDLO