smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)SCC[NH2+]Cc1ccoc1 53623214 697621789 /nfs/dbraw/zinc/62/17/89/697621789.db2.gz CZRDVEAOQPTBCD-UHFFFAOYSA-N 1 0 199.319 2.511 10 0 AFAERO CCC[C@@H](C)CC[NH2+]C(C)C 53302344 697621857 /nfs/dbraw/zinc/62/18/57/697621857.db2.gz WUZULARSTMJSOZ-SNVBAGLBSA-N 1 0 157.301 2.811 10 0 AFAERO CCCCCC[NH2+]CCSCC 53616510 697621956 /nfs/dbraw/zinc/62/19/56/697621956.db2.gz JZJYWIJJYBWZJY-UHFFFAOYSA-N 1 0 189.368 2.909 10 0 AFAERO CCC[C@H](C)CC[NH2+]C(C)C 53302346 697621974 /nfs/dbraw/zinc/62/19/74/697621974.db2.gz WUZULARSTMJSOZ-JTQLQIEISA-N 1 0 157.301 2.811 10 0 AFAERO CC[C@@H](C)C[NH2+][C@H](C)C1(C)CC1 54467840 697622457 /nfs/dbraw/zinc/62/24/57/697622457.db2.gz DDKXHTMIARWAOI-NXEZZACHSA-N 1 0 169.312 2.811 10 0 AFAERO CC[C@@H](C)C[NH2+][C@@H](C)C1(C)CC1 54467836 697622558 /nfs/dbraw/zinc/62/25/58/697622558.db2.gz DDKXHTMIARWAOI-ZJUUUORDSA-N 1 0 169.312 2.811 10 0 AFAERO CC[C@H](C)C[NH2+][C@@H](C)C1(C)CC1 54467839 697622630 /nfs/dbraw/zinc/62/26/30/697622630.db2.gz DDKXHTMIARWAOI-UWVGGRQHSA-N 1 0 169.312 2.811 10 0 AFAERO CC[C@H](C)C[NH2+][C@H](C)C1(C)CC1 54467843 697622660 /nfs/dbraw/zinc/62/26/60/697622660.db2.gz DDKXHTMIARWAOI-VHSXEESVSA-N 1 0 169.312 2.811 10 0 AFAERO CSC(C)(C)C[NH2+]Cc1ccoc1 128192026 697641520 /nfs/dbraw/zinc/64/15/20/697641520.db2.gz ANWHLWCYFUCNFV-UHFFFAOYSA-N 1 0 199.319 2.511 10 0 AFAERO COC1CCC(C[NH2+]C(C)(C)C)CC1 134020230 697643492 /nfs/dbraw/zinc/64/34/92/697643492.db2.gz HIEYEDRPOXLVPR-UHFFFAOYSA-N 1 0 199.338 2.580 10 0 AFAERO Cc1coc(C[NH+]2CCCCCC2)c1 146956876 697652965 /nfs/dbraw/zinc/65/29/65/697652965.db2.gz VFJBZWVONDUKRM-UHFFFAOYSA-N 1 0 193.290 2.964 10 0 AFAERO C[C@@H]([NH2+][C@H]1CCCSC1)C1(C)CC1 157129242 697656816 /nfs/dbraw/zinc/65/68/16/697656816.db2.gz RIFNARLMJPMEMF-ZJUUUORDSA-N 1 0 199.363 2.660 10 0 AFAERO C[C@@H]([NH2+][C@@H]1CCCSC1)C1(C)CC1 157128966 697656853 /nfs/dbraw/zinc/65/68/53/697656853.db2.gz RIFNARLMJPMEMF-NXEZZACHSA-N 1 0 199.363 2.660 10 0 AFAERO C[C@H]([NH2+][C@@H]1CCCSC1)C1(C)CC1 157128805 697657152 /nfs/dbraw/zinc/65/71/52/697657152.db2.gz RIFNARLMJPMEMF-VHSXEESVSA-N 1 0 199.363 2.660 10 0 AFAERO C[C@H]([NH2+][C@H]1CCCSC1)C1(C)CC1 157129106 697657220 /nfs/dbraw/zinc/65/72/20/697657220.db2.gz RIFNARLMJPMEMF-UWVGGRQHSA-N 1 0 199.363 2.660 10 0 AFAERO CCC1(C[NH2+]Cc2ccoc2)CCC1 165576885 697670823 /nfs/dbraw/zinc/67/08/23/697670823.db2.gz CUTFSMWYZQJGDJ-UHFFFAOYSA-N 1 0 193.290 2.950 10 0 AFAERO CC[C@H](C)[NH2+][C@H]1CC[C@H](SC)C1 168388766 697677173 /nfs/dbraw/zinc/67/71/73/697677173.db2.gz AOFONHAMQPESPP-GUBZILKMSA-N 1 0 187.352 2.659 10 0 AFAERO CC[C@H](C)[NH2+][C@@H]1CC[C@H](SC)C1 168388569 697677204 /nfs/dbraw/zinc/67/72/04/697677204.db2.gz AOFONHAMQPESPP-AEJSXWLSSA-N 1 0 187.352 2.659 10 0 AFAERO C[C@H]1C[C@@H]1C[NH2+][C@H](C)C(C)(C)C 222800551 697686883 /nfs/dbraw/zinc/68/68/83/697686883.db2.gz NWLAQAVBGCVMJK-IVZWLZJFSA-N 1 0 169.312 2.667 10 0 AFAERO C[C@H]1C[C@@H]1C[NH2+][C@H](C)C1CCCC1 222802605 697687010 /nfs/dbraw/zinc/68/70/10/697687010.db2.gz CGOXQZZTUMMQOP-HOSYDEDBSA-N 1 0 181.323 2.811 10 0 AFAERO C[C@H]1C[C@H]1C[NH2+][C@H](C)C1CCCC1 222802546 697687062 /nfs/dbraw/zinc/68/70/62/697687062.db2.gz CGOXQZZTUMMQOP-UMNHJUIQSA-N 1 0 181.323 2.811 10 0 AFAERO CO[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)CC(C)C 224421341 697688700 /nfs/dbraw/zinc/68/87/00/697688700.db2.gz MUQKEMBFFJEDSH-SDDRHHMPSA-N 1 0 199.338 2.578 10 0 AFAERO C[C@H]([NH2+]C[C@@H]1CCSC1)C1(C)CC1 226376696 697692055 /nfs/dbraw/zinc/69/20/55/697692055.db2.gz ZAFNQKQDGGBLDE-UWVGGRQHSA-N 1 0 199.363 2.518 10 0 AFAERO C[C@@H]([NH2+]C[C@@H]1CCSC1)C1(C)CC1 226376692 697692246 /nfs/dbraw/zinc/69/22/46/697692246.db2.gz ZAFNQKQDGGBLDE-ZJUUUORDSA-N 1 0 199.363 2.518 10 0 AFAERO C[C@@H]([NH2+]C[C@H]1CCSC1)C1(C)CC1 226376699 697692249 /nfs/dbraw/zinc/69/22/49/697692249.db2.gz ZAFNQKQDGGBLDE-NXEZZACHSA-N 1 0 199.363 2.518 10 0 AFAERO C[C@H]([NH2+]C[C@H]1CCSC1)C1(C)CC1 226376703 697692288 /nfs/dbraw/zinc/69/22/88/697692288.db2.gz ZAFNQKQDGGBLDE-VHSXEESVSA-N 1 0 199.363 2.518 10 0 AFAERO C[C@H]([NH2+]CCC(C)(C)C)C(F)F 228522176 697698789 /nfs/dbraw/zinc/69/87/89/697698789.db2.gz YVOIJBMGHKWETR-ZETCQYMHSA-N 1 0 179.254 2.666 10 0 AFAERO CC(C)C[C@H](C)[NH2+]C/C=C/Cl 228314354 697698803 /nfs/dbraw/zinc/69/88/03/697698803.db2.gz KFIMJTZIUXVOBQ-MOVJSRMASA-N 1 0 175.703 2.763 10 0 AFAERO C[C@@H]([NH2+]CCC(C)(C)C)C(F)F 228522169 697699102 /nfs/dbraw/zinc/69/91/02/697699102.db2.gz YVOIJBMGHKWETR-SSDOTTSWSA-N 1 0 179.254 2.666 10 0 AFAERO CC1([NH2+]CCc2ccccc2)CCC1 228836603 697699609 /nfs/dbraw/zinc/69/96/09/697699609.db2.gz LYJGKNNANIGBPG-UHFFFAOYSA-N 1 0 189.302 2.761 10 0 AFAERO CCCC[NH2+]CC(C)(C)SC 229087216 697700775 /nfs/dbraw/zinc/70/07/75/697700775.db2.gz DEUZNXVKZVRPBM-UHFFFAOYSA-N 1 0 175.341 2.518 10 0 AFAERO COC(C)(C)[C@H](C)[NH2+][C@H]1CC[C@H](C)C1 300996721 697721142 /nfs/dbraw/zinc/72/11/42/697721142.db2.gz MINRAJJHUGPXPJ-DCAQKATOSA-N 1 0 199.338 2.578 10 0 AFAERO CC1(C)CC([NH2+][C@H]2CC[C@@H]2C2CC2)C1 306361593 697726278 /nfs/dbraw/zinc/72/62/78/697726278.db2.gz PSPAURBYXSORBT-NEPJUHHUSA-N 1 0 193.334 2.953 10 0 AFAERO CC1(C)CC([NH2+][C@@H]2CC[C@H]2C2CC2)C1 306361594 697726304 /nfs/dbraw/zinc/72/63/04/697726304.db2.gz PSPAURBYXSORBT-NWDGAFQWSA-N 1 0 193.334 2.953 10 0 AFAERO CC1(C)CC([NH2+][C@H]2CC[C@H]2C2CC2)C1 306361595 697726498 /nfs/dbraw/zinc/72/64/98/697726498.db2.gz PSPAURBYXSORBT-RYUDHWBXSA-N 1 0 193.334 2.953 10 0 AFAERO CC1(C)CC([NH2+][C@@H]2CC[C@@H]2C2CC2)C1 306361596 697726520 /nfs/dbraw/zinc/72/65/20/697726520.db2.gz PSPAURBYXSORBT-VXGBXAGGSA-N 1 0 193.334 2.953 10 0 AFAERO CC(C)(C)CC[N@@H+]1CC[C@@H]2C[C@@H]21 306494836 697729288 /nfs/dbraw/zinc/72/92/88/697729288.db2.gz BHOUTTQSHWJMCJ-ZJUUUORDSA-N 1 0 167.296 2.517 10 0 AFAERO CC(C)(C)CC[N@@H+]1CC[C@H]2C[C@H]21 306494835 697729335 /nfs/dbraw/zinc/72/93/35/697729335.db2.gz BHOUTTQSHWJMCJ-VHSXEESVSA-N 1 0 167.296 2.517 10 0 AFAERO C[C@H]([NH2+][C@H]1CS[C@H](C)C1)C1(C)CC1 306588024 697730599 /nfs/dbraw/zinc/73/05/99/697730599.db2.gz STBYQDGHUHPRRH-KXUCPTDWSA-N 1 0 199.363 2.659 10 0 AFAERO C[C@@H]1C[C@H]([NH2+][C@H](C)C2(C)CC2)CS1 306588021 697730619 /nfs/dbraw/zinc/73/06/19/697730619.db2.gz STBYQDGHUHPRRH-BBBLOLIVSA-N 1 0 199.363 2.659 10 0 AFAERO C[C@@H]1C[C@@H]([NH2+][C@H](C)C2(C)CC2)CS1 306588026 697730625 /nfs/dbraw/zinc/73/06/25/697730625.db2.gz STBYQDGHUHPRRH-OPRDCNLKSA-N 1 0 199.363 2.659 10 0 AFAERO C[C@H]([NH2+][C@@H]1CS[C@H](C)C1)C1(C)CC1 306588029 697730701 /nfs/dbraw/zinc/73/07/01/697730701.db2.gz STBYQDGHUHPRRH-UTLUCORTSA-N 1 0 199.363 2.659 10 0 AFAERO C[C@H]1C[C@H](C)[NH+]1CCc1cccs1 306765684 697732762 /nfs/dbraw/zinc/73/27/62/697732762.db2.gz VYLOJDACPCKVJU-UWVGGRQHSA-N 1 0 195.331 2.773 10 0 AFAERO C[C@H]1C[C@@H](C)[N@@H+]1CCc1cccs1 306765672 697732847 /nfs/dbraw/zinc/73/28/47/697732847.db2.gz VYLOJDACPCKVJU-AOOOYVTPSA-N 1 0 195.331 2.773 10 0 AFAERO C[C@@H]1C[C@@H](C)[NH+]1CCc1cccs1 306765678 697732946 /nfs/dbraw/zinc/73/29/46/697732946.db2.gz VYLOJDACPCKVJU-NXEZZACHSA-N 1 0 195.331 2.773 10 0 AFAERO C[Si](C)(C)C[N@@H+]1CCCC12CCC2 306768771 697733559 /nfs/dbraw/zinc/73/35/59/697733559.db2.gz ZLTIRMOIKGMTGF-UHFFFAOYSA-N 1 0 197.398 2.882 10 0 AFAERO C[C@@H]1CCCC[N@@H+]1Cc1ccoc1 307321280 697742126 /nfs/dbraw/zinc/74/21/26/697742126.db2.gz WPSQWOQNRYYWKJ-SNVBAGLBSA-N 1 0 179.263 2.654 10 0 AFAERO C[C@H]1CCCC[N@@H+]1Cc1ccoc1 307321278 697742211 /nfs/dbraw/zinc/74/22/11/697742211.db2.gz WPSQWOQNRYYWKJ-JTQLQIEISA-N 1 0 179.263 2.654 10 0 AFAERO CC1(C)C[NH+](CCF)CC(C)(C)C1 307323318 697742399 /nfs/dbraw/zinc/74/23/99/697742399.db2.gz DEZBRDJRGFHISO-UHFFFAOYSA-N 1 0 187.302 2.714 10 0 AFAERO C/C=C/C[NH2+]C1[C@H](C)CC[C@H]1C 307510809 697745275 /nfs/dbraw/zinc/74/52/75/697745275.db2.gz CVAYSFZJBQUACI-NUNSBDKSSA-N 1 0 167.296 2.587 10 0 AFAERO CC1(C)CC[N@@H+]1C[C@H]1CC=CCC1 307537906 697746833 /nfs/dbraw/zinc/74/68/33/697746833.db2.gz OWVIJOKOIOYZRT-NSHDSACASA-N 1 0 179.307 2.827 10 0 AFAERO CC1(C)CC[N@@H+]1C[C@@H]1CC=CCC1 307537905 697746923 /nfs/dbraw/zinc/74/69/23/697746923.db2.gz OWVIJOKOIOYZRT-LLVKDONJSA-N 1 0 179.307 2.827 10 0 AFAERO CC[N@H+](C[Si](C)(C)C)C(C)C 307666107 697748538 /nfs/dbraw/zinc/74/85/38/697748538.db2.gz CTIPZFXKFGYFOO-UHFFFAOYSA-N 1 0 173.376 2.594 10 0 AFAERO Cl/C=C/C[N@@H+]1C[C@H]2CC=CC[C@H]2C1 307716109 697751147 /nfs/dbraw/zinc/75/11/47/697751147.db2.gz HASKHLHFZKRCFO-UBDRWLHQSA-N 1 0 197.709 2.637 10 0 AFAERO CCCCCC[NH2+]CC1(F)CC1 307976477 697754221 /nfs/dbraw/zinc/75/42/21/697754221.db2.gz LKHUJXJECUCRQI-UHFFFAOYSA-N 1 0 173.275 2.658 10 0 AFAERO CC1=C[C@H](C)C[N@H+](C/C=C\Cl)C1 308027667 697755117 /nfs/dbraw/zinc/75/51/17/697755117.db2.gz HVQZCTPTHDDIMY-TYRPZCRBSA-N 1 0 185.698 2.637 10 0 AFAERO CC1=C[C@@H](C)C[N@H+](C/C=C\Cl)C1 308027668 697755185 /nfs/dbraw/zinc/75/51/85/697755185.db2.gz HVQZCTPTHDDIMY-ZBJFTSOASA-N 1 0 185.698 2.637 10 0 AFAERO C[C@H]1CC[C@@H](C)C[N@H+]1C/C=C\Cl 308029097 697755307 /nfs/dbraw/zinc/75/53/07/697755307.db2.gz IIDFMPSJFGZKIU-WXYRRYSDSA-N 1 0 187.714 2.859 10 0 AFAERO C[N@H+](Cc1ccoc1)CC(C)(C)C 308256427 697761488 /nfs/dbraw/zinc/76/14/88/697761488.db2.gz JUMDNXLCSXTODT-UHFFFAOYSA-N 1 0 181.279 2.758 10 0 AFAERO CCC[NH+](CCC)Cc1ccoc1 308400680 697769466 /nfs/dbraw/zinc/76/94/66/697769466.db2.gz GXQNUGWGICELPN-UHFFFAOYSA-N 1 0 181.279 2.902 10 0 AFAERO C[C@@H]1CC[C@@H]1[NH2+]CCc1ccccc1 308480516 697773270 /nfs/dbraw/zinc/77/32/70/697773270.db2.gz GPYSLJWQMWCEMY-YPMHNXCESA-N 1 0 189.302 2.617 10 0 AFAERO C[C@H]1CC[C@@H]1[NH2+]CCc1ccccc1 308480513 697773480 /nfs/dbraw/zinc/77/34/80/697773480.db2.gz GPYSLJWQMWCEMY-AAEUAGOBSA-N 1 0 189.302 2.617 10 0 AFAERO Cc1occc1C[NH2+][C@@H](C)C1(C)CC1 308596298 697774720 /nfs/dbraw/zinc/77/47/20/697774720.db2.gz MRBHYMHQLCHNRC-JTQLQIEISA-N 1 0 193.290 2.866 10 0 AFAERO Cc1cc(C[NH+]2CC3(CC3)C2)cs1 335376778 697780643 /nfs/dbraw/zinc/78/06/43/697780643.db2.gz UTDTWWJTUOUABD-UHFFFAOYSA-N 1 0 193.315 2.652 10 0 AFAERO CCC[C@@H]1C[C@H]1[NH2+][C@H]1CC[C@H]1C 378663468 697782591 /nfs/dbraw/zinc/78/25/91/697782591.db2.gz DGJAEXUETAGNHI-CHWFTXMASA-N 1 0 167.296 2.563 10 0 AFAERO CCC[C@@H]1C[C@H]1[NH2+][C@H]1CC[C@@H]1C 378663471 697782614 /nfs/dbraw/zinc/78/26/14/697782614.db2.gz DGJAEXUETAGNHI-ZRUFSTJUSA-N 1 0 167.296 2.563 10 0 AFAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CC[C@@H]1C 378663470 697782722 /nfs/dbraw/zinc/78/27/22/697782722.db2.gz DGJAEXUETAGNHI-LNFKQOIKSA-N 1 0 167.296 2.563 10 0 AFAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CC[C@H]1C 378663469 697782944 /nfs/dbraw/zinc/78/29/44/697782944.db2.gz DGJAEXUETAGNHI-GWOFURMSSA-N 1 0 167.296 2.563 10 0 AFAERO CC(C)C1([NH2+]Cc2ccoc2)CC1 378732302 697785191 /nfs/dbraw/zinc/78/51/91/697785191.db2.gz BFCOAMNWRKRARS-UHFFFAOYSA-N 1 0 179.263 2.558 10 0 AFAERO CCC[C@@H]1C[C@H]1[NH2+][C@H]1CC[C@@H]1C1CC1 378730954 697785293 /nfs/dbraw/zinc/78/52/93/697785293.db2.gz KVMLETGOBHJLBA-FVCCEPFGSA-N 1 0 193.334 2.953 10 0 AFAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CC[C@H]1C1CC1 378730956 697785357 /nfs/dbraw/zinc/78/53/57/697785357.db2.gz KVMLETGOBHJLBA-YVECIDJPSA-N 1 0 193.334 2.953 10 0 AFAERO CCC[C@@H]1C[C@H]1[NH2+][C@H]1CC[C@H]1C1CC1 378730955 697785542 /nfs/dbraw/zinc/78/55/42/697785542.db2.gz KVMLETGOBHJLBA-MROQNXINSA-N 1 0 193.334 2.953 10 0 AFAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CC[C@@H]1C1CC1 378730953 697785563 /nfs/dbraw/zinc/78/55/63/697785563.db2.gz KVMLETGOBHJLBA-FDYHWXHSSA-N 1 0 193.334 2.953 10 0 AFAERO CC(C)[C@H]1CC[C@@H]1[NH2+]CC(C)(F)F 378777329 697786504 /nfs/dbraw/zinc/78/65/04/697786504.db2.gz FUQMMPALEGCUML-BDAKNGLRSA-N 1 0 191.265 2.666 10 0 AFAERO CC(C)[C@@H]1CC[C@@H]1[NH2+]CC(C)(F)F 378777333 697786684 /nfs/dbraw/zinc/78/66/84/697786684.db2.gz FUQMMPALEGCUML-IUCAKERBSA-N 1 0 191.265 2.666 10 0 AFAERO CC(C)[C@H]1CC[C@H]1[NH2+]CC(C)(F)F 378777334 697786756 /nfs/dbraw/zinc/78/67/56/697786756.db2.gz FUQMMPALEGCUML-RKDXNWHRSA-N 1 0 191.265 2.666 10 0 AFAERO CC(C)[C@@H]1CC[C@H]1[NH2+]CC(C)(F)F 378777331 697786837 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342984530 /nfs/dbraw/zinc/98/45/30/342984530.db2.gz DSNIUVGXYJGNMA-LBPRGKRZSA-N 1 0 175.275 2.713 10 0 AFAERO Cc1ccc([C@@H]2[NH2+]CC[C@@H]2C)cc1 3733716 342984538 /nfs/dbraw/zinc/98/45/38/342984538.db2.gz GUORDAFUXCQEEM-CMPLNLGQSA-N 1 0 175.275 2.666 10 0 AFAERO Cc1cccc(NC2=[NH+]CCC2)c1 3866611 342985454 /nfs/dbraw/zinc/98/54/54/342985454.db2.gz LAUPKPUBYZPEFE-UHFFFAOYSA-N 1 0 174.247 2.599 10 0 AFAERO CCC1([NH3+])C2CC3CC(C2)CC1C3 4662014 342993501 /nfs/dbraw/zinc/99/35/01/342993501.db2.gz KKYGOXFNQZFIQT-UHFFFAOYSA-N 1 0 179.307 2.550 10 0 AFAERO C[C@H]1CCCC2(CC[NH2+]CC2)C1 4963565 342997466 /nfs/dbraw/zinc/99/74/66/342997466.db2.gz WTLYNJZNAGCLCO-JTQLQIEISA-N 1 0 167.296 2.566 10 0 AFAERO C[NH+](C)[C@@H]1CCCc2ccccc21 5689234 343006601 /nfs/dbraw/zinc/00/66/01/343006601.db2.gz IQLPAPPRUSTIEX-GFCCVEGCSA-N 1 0 175.275 2.626 10 0 AFAERO CCCC[C@H]([NH3+])Cc1ccccc1 5821892 343008957 /nfs/dbraw/zinc/00/89/57/343008957.db2.gz UNVLUPRQPLQYGW-LBPRGKRZSA-N 1 0 177.291 2.747 10 0 AFAERO 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343303811 /nfs/dbraw/zinc/30/38/11/343303811.db2.gz JZYYBADJIRTWKN-ZWNOBZJWSA-N 1 0 189.302 2.801 10 0 AFAERO Cc1cc(F)ccc1C[NH2+][C@H]1C[C@@H]1C 52274935 343303813 /nfs/dbraw/zinc/30/38/13/343303813.db2.gz DXWMISIUDUQTTQ-CABZTGNLSA-N 1 0 193.265 2.632 10 0 AFAERO Cc1ccc(C)c(C[NH2+][C@H]2C[C@@H]2C)c1 52275479 343303815 /nfs/dbraw/zinc/30/38/15/343303815.db2.gz AKMCXTPTRHFUMN-AAEUAGOBSA-N 1 0 189.302 2.801 10 0 AFAERO CC(C)[N@H+](C)Cc1ccnc(Cl)c1 52708973 343306685 /nfs/dbraw/zinc/30/66/85/343306685.db2.gz CNNNNPUBUMJWBN-UHFFFAOYSA-N 1 0 198.697 2.575 10 0 AFAERO CCC[C@H](C)[C@@H]1CCCCC[NH2+]1 53298306 343314007 /nfs/dbraw/zinc/31/40/07/343314007.db2.gz CASRDAUDVKEZNL-QWRGUYRKSA-N 1 0 169.312 2.955 10 0 AFAERO Cc1cc(C)c(C[C@H](C)C[NH3+])c(C)c1 53301799 343314183 /nfs/dbraw/zinc/31/41/83/343314183.db2.gz YCPYNZOPIJLQRK-JTQLQIEISA-N 1 0 191.318 2.749 10 0 AFAERO CCC[C@H](C)[C@H]1CCCCC[NH2+]1 53298310 343314220 /nfs/dbraw/zinc/31/42/20/343314220.db2.gz CASRDAUDVKEZNL-WDEREUQCSA-N 1 0 169.312 2.955 10 0 AFAERO CCCCC[NH2+]CCSCC 53616507 343314797 /nfs/dbraw/zinc/31/47/97/343314797.db2.gz PIDSWOBZYHFPRJ-UHFFFAOYSA-N 1 0 175.341 2.519 10 0 AFAERO CCC[C@@H](C)[NH2+]CCSCC 53616296 343314806 /nfs/dbraw/zinc/31/48/06/343314806.db2.gz OOCYRGQOQICXNK-SECBINFHSA-N 1 0 175.341 2.518 10 0 AFAERO CCSCC[NH2+]CC1CCCC1 53616351 343314809 /nfs/dbraw/zinc/31/48/09/343314809.db2.gz UPUJSZVCYSYMPN-UHFFFAOYSA-N 1 0 187.352 2.519 10 0 AFAERO C[C@H]([NH3+])c1cnc(C2CCCC2)s1 54159252 343318958 /nfs/dbraw/zinc/31/89/58/343318958.db2.gz GDVMKCRAZLMDSA-ZETCQYMHSA-N 1 0 196.319 2.820 10 0 AFAERO CCC[C@H]([NH3+])C[C@H](C)CC 53818916 343316696 /nfs/dbraw/zinc/31/66/96/343316696.db2.gz PNHBLQZXNKWLMP-BDAKNGLRSA-N 1 0 143.274 2.550 10 0 AFAERO CCC[C@@H]([NH3+])C[C@@H](C)CC 53818914 343316704 /nfs/dbraw/zinc/31/67/04/343316704.db2.gz PNHBLQZXNKWLMP-DTWKUNHWSA-N 1 0 143.274 2.550 10 0 AFAERO C[C@]([NH3+])(c1nccs1)C1CCCC1 54082056 343318083 /nfs/dbraw/zinc/31/80/83/343318083.db2.gz CGJPJPKALYDZKA-SNVBAGLBSA-N 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/nfs/dbraw/zinc/08/80/84/166088084.db2.gz QEISPXXIFKTWDZ-XQQFMLRXSA-N 1 0 193.334 2.955 10 0 AFAERO C1CCC(CC[NH2+]CC2CC2)CC1 37895033 166088159 /nfs/dbraw/zinc/08/81/59/166088159.db2.gz OUUZQELLLHJWDA-UHFFFAOYSA-N 1 0 181.323 2.956 10 0 AFAERO C1CCC([NH2+][C@H]2CC[C@@H]2C2CC2)C1 307673276 166088162 /nfs/dbraw/zinc/08/81/62/166088162.db2.gz DAYGAGAEIQULHY-NEPJUHHUSA-N 1 0 179.307 2.707 10 0 AFAERO C1CCC([NH2+][C@H]2CC[C@H]2C2CC2)C1 307673283 166088166 /nfs/dbraw/zinc/08/81/66/166088166.db2.gz DAYGAGAEIQULHY-RYUDHWBXSA-N 1 0 179.307 2.707 10 0 AFAERO C1CCC([NH2+][C@@H]2CC[C@H]2C2CC2)C1 307673280 166088192 /nfs/dbraw/zinc/08/81/92/166088192.db2.gz DAYGAGAEIQULHY-NWDGAFQWSA-N 1 0 179.307 2.707 10 0 AFAERO C1CCC(SCC[NH2+]C2CC2)CC1 42409022 166088312 /nfs/dbraw/zinc/08/83/12/166088312.db2.gz IQNMPXMQKQJJKX-UHFFFAOYSA-N 1 0 199.363 2.804 10 0 AFAERO C1CCC([NH2+]C[C@@H]2C[C@H]3CC[C@@H]2C3)C1 42174909 166088360 /nfs/dbraw/zinc/08/83/60/166088360.db2.gz QHKQKSKBGOLRQR-TUAOUCFPSA-N 1 0 193.334 2.955 10 0 AFAERO C1CCC(C[NH2+]CC2CCCC2)C1 42011192 166088416 /nfs/dbraw/zinc/08/84/16/166088416.db2.gz WJLMTQQTWWAPRR-UHFFFAOYSA-N 1 0 181.323 2.956 10 0 AFAERO C1CCC(C[NH2+][C@H]2CC23CC3)CC1 335284293 166088422 /nfs/dbraw/zinc/08/84/22/166088422.db2.gz HEKNHXRIWNAZGJ-NSHDSACASA-N 1 0 179.307 2.709 10 0 AFAERO C1CCC(C[NH2+][C@@H]2CCCSC2)C1 61572912 166088453 /nfs/dbraw/zinc/08/84/53/166088453.db2.gz FMAQISUAJSFQCZ-LLVKDONJSA-N 1 0 199.363 2.662 10 0 AFAERO C1CCC(SC[C@@H]2CCC[NH2+]2)CC1 43497440 166088610 /nfs/dbraw/zinc/08/86/10/166088610.db2.gz OYVXGRVIPUCBGP-JTQLQIEISA-N 1 0 199.363 2.804 10 0 AFAERO C1CCC([NH2+][C@@H]2CC[C@@H]2C2CC2)C1 307673287 166088671 /nfs/dbraw/zinc/08/86/71/166088671.db2.gz DAYGAGAEIQULHY-VXGBXAGGSA-N 1 0 179.307 2.707 10 0 AFAERO C1CCC2(CC1)[NH2+]C1(CCCC1)CO2 39112489 166089119 /nfs/dbraw/zinc/08/91/19/166089119.db2.gz UQPWWYJFNWMORQ-UHFFFAOYSA-N 1 0 195.306 2.579 10 0 AFAERO C1CCC2(C1)CC[C@H]2[NH2+][C@H]1CC12CC2 335281817 166089121 /nfs/dbraw/zinc/08/91/21/166089121.db2.gz ZDCKDKGAPBMCGM-MNOVXSKESA-N 1 0 191.318 2.851 10 0 AFAERO C1CCC([C@H]2C[C@H]2C[NH2+]C2CC2)C1 54596029 166089199 /nfs/dbraw/zinc/08/91/99/166089199.db2.gz FASYPYNYTDYPCP-CMPLNLGQSA-N 1 0 179.307 2.565 10 0 AFAERO C1CCC(S[C@@H]2CCC[NH2+]C2)CC1 43501709 166089339 /nfs/dbraw/zinc/08/93/39/166089339.db2.gz XKBULCLOASJMIU-LLVKDONJSA-N 1 0 199.363 2.804 10 0 AFAERO C1CCCC2(CCC1)[NH2+]CCS2 83823899 166089496 /nfs/dbraw/zinc/08/94/96/166089496.db2.gz APPYMZIYIQTDDB-UHFFFAOYSA-N 1 0 185.336 2.763 10 0 AFAERO C1CCC2(CC1)C[NH2+]C1(CCCC1)O2 39112518 166089574 /nfs/dbraw/zinc/08/95/74/166089574.db2.gz IGHSKULBYXXLGR-UHFFFAOYSA-N 1 0 195.306 2.579 10 0 AFAERO C1CCC([C@@H]2CCCC[NH2+]C2)CC1 76606238 166089602 /nfs/dbraw/zinc/08/96/02/166089602.db2.gz UJEBOROHMODMAN-GFCCVEGCSA-N 1 0 181.323 2.956 10 0 AFAERO C1CCCC([NH2+][C@@H]2CC23CC3)CC1 335284345 166089662 /nfs/dbraw/zinc/08/96/62/166089662.db2.gz ITWYYVVOZYXVHD-LLVKDONJSA-N 1 0 179.307 2.851 10 0 AFAERO C1CCCC2(CCC1)CCC[NH2+]2 115273941 166089669 /nfs/dbraw/zinc/08/96/69/166089669.db2.gz YIOROJLOKIFUFL-UHFFFAOYSA-N 1 0 167.296 2.853 10 0 AFAERO C1CCC2(C1)CC[C@@H]2[NH2+][C@H]1CC12CC2 335281818 166089684 /nfs/dbraw/zinc/08/96/84/166089684.db2.gz ZDCKDKGAPBMCGM-QWRGUYRKSA-N 1 0 191.318 2.851 10 0 AFAERO C1CCCC([NH2+][C@H]2CC23CC3)CC1 335284346 166089721 /nfs/dbraw/zinc/08/97/21/166089721.db2.gz ITWYYVVOZYXVHD-NSHDSACASA-N 1 0 179.307 2.851 10 0 AFAERO C1CCC(SC[C@H]2CC[NH2+]C2)CC1 51891063 166089831 /nfs/dbraw/zinc/08/98/31/166089831.db2.gz HTOHLLFGHLSYRW-JTQLQIEISA-N 1 0 199.363 2.662 10 0 AFAERO C1CCCC([C@H]2CC[NH2+]2)CCC1 44257551 166089841 /nfs/dbraw/zinc/08/98/41/166089841.db2.gz GEDYLHNJXCKLTQ-LLVKDONJSA-N 1 0 167.296 2.709 10 0 AFAERO C1CCC2(C1)CC[C@H]2[NH2+][C@@H]1CC12CC2 335281816 166089907 /nfs/dbraw/zinc/08/99/07/166089907.db2.gz ZDCKDKGAPBMCGM-GHMZBOCLSA-N 1 0 191.318 2.851 10 0 AFAERO C1CCCC([C@@H]2CC[NH2+]2)CCC1 44257547 166089956 /nfs/dbraw/zinc/08/99/56/166089956.db2.gz GEDYLHNJXCKLTQ-NSHDSACASA-N 1 0 167.296 2.709 10 0 AFAERO C1CCC([C@H]2CCCC[NH2+]C2)CC1 76606242 166090066 /nfs/dbraw/zinc/09/00/66/166090066.db2.gz UJEBOROHMODMAN-LBPRGKRZSA-N 1 0 181.323 2.956 10 0 AFAERO C1CCC([C@@H]2C[C@@H]2C[NH2+]C2CC2)C1 54596026 166090168 /nfs/dbraw/zinc/09/01/68/166090168.db2.gz FASYPYNYTDYPCP-PWSUYJOCSA-N 1 0 179.307 2.565 10 0 AFAERO C1CCC([C@H]2C[C@@H]2C[NH2+]C2CC2)C1 54596027 166090203 /nfs/dbraw/zinc/09/02/03/166090203.db2.gz FASYPYNYTDYPCP-ZYHUDNBSSA-N 1 0 179.307 2.565 10 0 AFAERO C1CCC(S[C@H]2CCC[NH2+]C2)CC1 43501710 166090264 /nfs/dbraw/zinc/09/02/64/166090264.db2.gz XKBULCLOASJMIU-NSHDSACASA-N 1 0 199.363 2.804 10 0 AFAERO C1CCC2(C1)CC[C@@H]2[NH2+][C@@H]1CC12CC2 335281819 166090375 /nfs/dbraw/zinc/09/03/75/166090375.db2.gz ZDCKDKGAPBMCGM-WDEREUQCSA-N 1 0 191.318 2.851 10 0 AFAERO C1CCC([C@@H]2C[C@H]2C[NH2+]C2CC2)C1 54596028 166090383 /nfs/dbraw/zinc/09/03/83/166090383.db2.gz FASYPYNYTDYPCP-JQWIXIFHSA-N 1 0 179.307 2.565 10 0 AFAERO C1CC[N@@H+]2[C@H](C1)CCOC21CCCC1 39112467 166090840 /nfs/dbraw/zinc/09/08/40/166090840.db2.gz BCHRDGRYGURHNI-LLVKDONJSA-N 1 0 195.306 2.532 10 0 AFAERO C1CCC[C@H]2[NH2+]CCC[C@H]2CC1 19422271 166091189 /nfs/dbraw/zinc/09/11/89/166091189.db2.gz MFQCQHFDFPBDIA-GHMZBOCLSA-N 1 0 167.296 2.709 10 0 AFAERO C1CCC[C@@H]2[NH2+]CCC[C@@H]2CC1 19422265 166091291 /nfs/dbraw/zinc/09/12/91/166091291.db2.gz MFQCQHFDFPBDIA-QWRGUYRKSA-N 1 0 167.296 2.709 10 0 AFAERO C1CCC[C@@H]2CCC[NH2+][C@H]2CC1 19422269 166091594 /nfs/dbraw/zinc/09/15/94/166091594.db2.gz MFQCQHFDFPBDIA-MNOVXSKESA-N 1 0 167.296 2.709 10 0 AFAERO C1CC[C@@H](C2CCCC2)C[NH2+]C1 76596195 166091997 /nfs/dbraw/zinc/09/19/97/166091997.db2.gz SCSGFQOGGHPYHH-LLVKDONJSA-N 1 0 167.296 2.566 10 0 AFAERO C1CC[N@@H+]2[C@@H](C1)CCOC21CCCC1 39112466 166092524 /nfs/dbraw/zinc/09/25/24/166092524.db2.gz BCHRDGRYGURHNI-NSHDSACASA-N 1 0 195.306 2.532 10 0 AFAERO C1CCC[C@H]2[NH2+]CCC[C@@H]2CC1 19422267 166092755 /nfs/dbraw/zinc/09/27/55/166092755.db2.gz MFQCQHFDFPBDIA-WDEREUQCSA-N 1 0 167.296 2.709 10 0 AFAERO C1CC[C@@H]2CCC3(CC[NH2+]CC3)[C@H]2C1 45813787 166093147 /nfs/dbraw/zinc/09/31/47/166093147.db2.gz DMKZAPSEZDOLSZ-NEPJUHHUSA-N 1 0 193.334 2.956 10 0 AFAERO C1CC[C@H]2[C@@H](C1)CCC21CC[NH2+]CC1 45813781 166093986 /nfs/dbraw/zinc/09/39/86/166093986.db2.gz DMKZAPSEZDOLSZ-RYUDHWBXSA-N 1 0 193.334 2.956 10 0 AFAERO C1CC[C@H](C2CCCC2)C[NH2+]C1 76596197 166094231 /nfs/dbraw/zinc/09/42/31/166094231.db2.gz SCSGFQOGGHPYHH-NSHDSACASA-N 1 0 167.296 2.566 10 0 AFAERO C1CC[C@@H]2[C@H](C1)CCC21CC[NH2+]CC1 45813783 166094762 /nfs/dbraw/zinc/09/47/62/166094762.db2.gz DMKZAPSEZDOLSZ-VXGBXAGGSA-N 1 0 193.334 2.956 10 0 AFAERO C1CC[C@@H]2[C@@H](C1)CCC21CC[NH2+]CC1 45813778 166094783 /nfs/dbraw/zinc/09/47/83/166094783.db2.gz DMKZAPSEZDOLSZ-NWDGAFQWSA-N 1 0 193.334 2.956 10 0 AFAERO C1C[NH2+][C@H]2C3C[C@@H]4C[C@H](C3)CC2(C1)C4 40392601 166098150 /nfs/dbraw/zinc/09/81/50/166098150.db2.gz XKNXRIBIHCBDQU-SZQBSXBZSA-N 1 0 191.318 2.565 10 0 AFAERO C1C[NH2+][C@@H]2C3C[C@@H]4C[C@H](C3)CC2(C1)C4 169292728 166098809 /nfs/dbraw/zinc/09/88/09/166098809.db2.gz XKNXRIBIHCBDQU-IJLVLRJLSA-N 1 0 191.318 2.565 10 0 AFAERO C[NH2+]Cc1csc2c1CC[C@@H](C)C2 132856112 343906257 /nfs/dbraw/zinc/90/62/57/343906257.db2.gz YCCBSEXHYQKULM-MRVPVSSYSA-N 1 0 195.331 2.592 10 0 AFAERO C1C[C@@H]([NH2+][C@H]2CC23CC3)C2(C1)CCC2 335248399 166103519 /nfs/dbraw/zinc/10/35/19/166103519.db2.gz JVZYZAVFGYVEKX-MNOVXSKESA-N 1 0 191.318 2.851 10 0 AFAERO C1C[C@@H]([NH2+][C@@H]2CC23CC3)C2(C1)CCC2 335248398 166104310 /nfs/dbraw/zinc/10/43/10/166104310.db2.gz JVZYZAVFGYVEKX-GHMZBOCLSA-N 1 0 191.318 2.851 10 0 AFAERO C1C[C@H]([NH2+][C@@H]2CC23CC3)C2(C1)CCC2 335248403 166107269 /nfs/dbraw/zinc/10/72/69/166107269.db2.gz JVZYZAVFGYVEKX-WDEREUQCSA-N 1 0 191.318 2.851 10 0 AFAERO C1C[C@H]([NH2+][C@H]2CC23CC3)C2(C1)CCC2 335248401 166107792 /nfs/dbraw/zinc/10/77/92/166107792.db2.gz JVZYZAVFGYVEKX-QWRGUYRKSA-N 1 0 191.318 2.851 10 0 AFAERO C=C(c1ccccc1)[NH+]1CCCC1 117575961 166140027 /nfs/dbraw/zinc/14/00/27/166140027.db2.gz KSJAGCUHGUGYJF-UHFFFAOYSA-N 1 0 173.259 2.753 10 0 AFAERO C=C(c1cccs1)[NH+]1CCCC1 100202627 166140625 /nfs/dbraw/zinc/14/06/25/166140625.db2.gz NFXLWOGCURIUDA-UHFFFAOYSA-N 1 0 179.288 2.815 10 0 AFAERO C=C/C=C/C[NH2+]Cc1ccccc1 75563847 166142820 /nfs/dbraw/zinc/14/28/20/166142820.db2.gz PJEZLCMYWVXMOD-XVNBXDOJSA-N 1 0 173.259 2.518 10 0 AFAERO C=C=C1CCCC[N@@H+](C(C)C)C1 39104014 166150526 /nfs/dbraw/zinc/15/05/26/166150526.db2.gz IFGOIBLCGLFIQP-UHFFFAOYSA-N 1 0 165.280 2.592 10 0 AFAERO C=C=C(C[NH3+])Cc1ccc(Cl)cc1 25992336 166151270 /nfs/dbraw/zinc/15/12/70/166151270.db2.gz JKKUEPPOFUYUSW-UHFFFAOYSA-N 1 0 193.677 2.553 10 0 AFAERO C=C=C[C@@H](C)[N@H+](C)Cc1ccccc1 25991356 166152298 /nfs/dbraw/zinc/15/22/98/166152298.db2.gz MIUJREPWWAMKSD-GFCCVEGCSA-N 1 0 187.286 2.848 10 0 AFAERO C=C=C[C@H](C)[N@H+](C)Cc1ccccc1 25991350 166152425 /nfs/dbraw/zinc/15/24/25/166152425.db2.gz MIUJREPWWAMKSD-LBPRGKRZSA-N 1 0 187.286 2.848 10 0 AFAERO C=C=CC[N@@H+](C)[C@@H]1CCc2ccccc21 25988579 166152811 /nfs/dbraw/zinc/15/28/11/166152811.db2.gz ZHWGWAHXVACGGL-CQSZACIVSA-N 1 0 199.297 2.947 10 0 AFAERO C=C=CC[N@@H+](C)[C@H]1CCc2ccccc21 25988588 166152825 /nfs/dbraw/zinc/15/28/25/166152825.db2.gz ZHWGWAHXVACGGL-AWEZNQCLSA-N 1 0 199.297 2.947 10 0 AFAERO C=CC1=C[N@H+](C(C)C)CCC1 39103049 166162358 /nfs/dbraw/zinc/16/23/58/166162358.db2.gz HBIAIGPPLNDVLK-UHFFFAOYSA-N 1 0 151.253 2.561 10 0 AFAERO C=COCCC[NH2+]CCCCCC 20361535 166212101 /nfs/dbraw/zinc/21/21/01/166212101.db2.gz DYGDOXCVMXWKMV-UHFFFAOYSA-N 1 0 185.311 2.707 10 0 AFAERO C=COC1CC(C)(C)[NH+](C)C(C)(C)C1 33606619 166212152 /nfs/dbraw/zinc/21/21/52/166212152.db2.gz OJQZHTMCZVPUCF-UHFFFAOYSA-N 1 0 197.322 2.798 10 0 AFAERO C=Cc1ccc2sc(C)[n+](C)c2c1 3182265 166222447 /nfs/dbraw/zinc/22/24/47/166222447.db2.gz ZYQYCJWNGKBOGQ-UHFFFAOYSA-N 1 0 189.283 2.551 10 0 AFAERO C=Cc1cc[n+](Cc2ccccc2)cc1 5158036 166223321 /nfs/dbraw/zinc/22/33/21/166223321.db2.gz YJKMGYHVXIMKQY-UHFFFAOYSA-N 1 0 196.273 2.665 10 0 AFAERO C=Cc1cccc(CC[NH2+]C(C)C)c1 33606750 166223343 /nfs/dbraw/zinc/22/33/43/166223343.db2.gz ARYXMXUOJQMGCO-UHFFFAOYSA-N 1 0 189.302 2.870 10 0 AFAERO C=Cc1ccccc1[C@H]1CCC[NH2+]1 72201464 166224287 /nfs/dbraw/zinc/22/42/87/166224287.db2.gz CVOHDYFUIDJQQK-GFCCVEGCSA-N 1 0 173.259 2.754 10 0 AFAERO C=Cc1ccccc1[C@@H]1CCC[NH2+]1 72201463 166224868 /nfs/dbraw/zinc/22/48/68/166224868.db2.gz CVOHDYFUIDJQQK-LBPRGKRZSA-N 1 0 173.259 2.754 10 0 AFAERO CC(=[NH2+])N[C@@H](c1ccccc1)C(C)C 64527098 166229777 /nfs/dbraw/zinc/22/97/77/166229777.db2.gz AVULVSOBSZMOKL-GFCCVEGCSA-N 1 0 190.290 2.970 10 0 AFAERO CC(=[NH2+])N[C@H](c1ccccc1)C(C)C 64527097 166230837 /nfs/dbraw/zinc/23/08/37/166230837.db2.gz AVULVSOBSZMOKL-LBPRGKRZSA-N 1 0 190.290 2.970 10 0 AFAERO CC(=[NH2+])Nc1ccccc1Cl 39438440 166231886 /nfs/dbraw/zinc/23/18/86/166231886.db2.gz KJYJZOPKWHNPIL-UHFFFAOYSA-N 1 0 168.627 2.749 10 0 AFAERO CC(=O)CC[NH+](CC(C)C)CC(C)C 42034332 166242749 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/nfs/dbraw/zinc/44/25/03/166442503.db2.gz OBSXPULKTBQJGQ-JTQLQIEISA-N 1 0 155.285 2.550 10 0 AFAERO CC(C)CC[NH2+]C1C[C@H](C)O[C@H](C)C1 96033715 166444707 /nfs/dbraw/zinc/44/47/07/166444707.db2.gz XKFFCYOAWZZWJK-FOSCPWQOSA-N 1 0 199.338 2.578 10 0 AFAERO CC(C)CCOCCCC[C@@H](C)[NH3+] 45616339 166447416 /nfs/dbraw/zinc/44/74/16/166447416.db2.gz MAWDUNFHNGTVNI-LLVKDONJSA-N 1 0 187.327 2.567 10 0 AFAERO CC(C)CC[NH2+][C@@H]1C[C@H]2CC[C@@H]1C2 41047057 166448827 /nfs/dbraw/zinc/44/88/27/166448827.db2.gz SOLFNSRZTNLKGY-QJPTWQEYSA-N 1 0 181.323 2.811 10 0 AFAERO CC(C)CC[C@@](C)([NH3+])C(C)C 17546020 166449841 /nfs/dbraw/zinc/44/98/41/166449841.db2.gz AOLOWUAKAIJGMC-SNVBAGLBSA-N 1 0 157.301 2.796 10 0 AFAERO CC(C)CC[C@@H]1CCCC[NH2+]C1 76597802 166449889 /nfs/dbraw/zinc/44/98/89/166449889.db2.gz LWINPZHISONXCX-NSHDSACASA-N 1 0 169.312 2.812 10 0 AFAERO CC(C)CC[C@@H]1CCCC[C@H]1[NH3+] 42401825 166449931 /nfs/dbraw/zinc/44/99/31/166449931.db2.gz XFWPPPAHYGHBRH-WDEREUQCSA-N 1 0 169.312 2.940 10 0 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/nfs/dbraw/zinc/47/11/94/166471194.db2.gz FARJSTSDHNPXJD-TUAOUCFPSA-N 1 0 181.323 2.668 10 0 AFAERO CC(C)C[NH2+][C@H]1C[C@@H]1c1ccccc1 44423334 166473854 /nfs/dbraw/zinc/47/38/54/166473854.db2.gz UZZPXSMTQMIHHA-OLZOCXBDSA-N 1 0 189.302 2.788 10 0 AFAERO CC(C)C[NH2+][C@@H](C)c1ccc(O)cc1 19883015 166473883 /nfs/dbraw/zinc/47/38/83/166473883.db2.gz NQGKIZAGEYNNRL-JTQLQIEISA-N 1 0 193.290 2.699 10 0 AFAERO CC(C)C[NH2+][C@H](C)c1ccc(O)cc1 19883017 166474978 /nfs/dbraw/zinc/47/49/78/166474978.db2.gz NQGKIZAGEYNNRL-SNVBAGLBSA-N 1 0 193.290 2.699 10 0 AFAERO CC(C)C[NH2+][C@H]1C[C@H]1c1ccccc1 44423340 166475032 /nfs/dbraw/zinc/47/50/32/166475032.db2.gz UZZPXSMTQMIHHA-STQMWFEESA-N 1 0 189.302 2.788 10 0 AFAERO CC(C)CO[C@H]1CCCCCC[C@@H]1[NH3+] 19398538 166479442 /nfs/dbraw/zinc/47/94/42/166479442.db2.gz SVTHPDIJOXAMEW-RYUDHWBXSA-N 1 0 199.338 2.709 10 0 AFAERO CC(C)C[C@@H](C(C)C)[C@@H](C)[NH3+] 61686113 166480762 /nfs/dbraw/zinc/48/07/62/166480762.db2.gz IBBXKFGUCHMESA-ZJUUUORDSA-N 1 0 157.301 2.652 10 0 AFAERO CC(C)C[C@@H](C)N1CCCCC1=[NH2+] 49584210 166481463 /nfs/dbraw/zinc/48/14/63/166481463.db2.gz QRNPEHGBQQAJSQ-SNVBAGLBSA-N 1 0 182.311 2.884 10 0 AFAERO CC(C)CSC1CCC([NH3+])CC1 55143771 166481709 /nfs/dbraw/zinc/48/17/09/166481709.db2.gz BLIXWSJSFXZDHK-UHFFFAOYSA-N 1 0 187.352 2.646 10 0 AFAERO CC(C)CSCCCCC[NH3+] 49582369 166482127 /nfs/dbraw/zinc/48/21/27/166482127.db2.gz YGSUDSDJBRVLOO-UHFFFAOYSA-N 1 0 175.341 2.505 10 0 AFAERO CC(C)C[C@@H](C)OCCC[C@@H](C)[NH3+] 45617074 166482947 /nfs/dbraw/zinc/48/29/47/166482947.db2.gz MBXIWPIMBHZXEB-GHMZBOCLSA-N 1 0 187.327 2.565 10 0 AFAERO CC(C)C[C@@H](C)[NH2+]Cc1ccc[nH]1 51788214 166483164 /nfs/dbraw/zinc/48/31/64/166483164.db2.gz VCYOWHVWUODDHL-SNVBAGLBSA-N 1 0 180.295 2.539 10 0 AFAERO CC(C)C[C@@H](C)OCCC[C@H](C)[NH3+] 45617080 166483179 /nfs/dbraw/zinc/48/31/79/166483179.db2.gz MBXIWPIMBHZXEB-WDEREUQCSA-N 1 0 187.327 2.565 10 0 AFAERO CC(C)C[C@@H](C[NH3+])c1ccc(F)cc1 41207108 166483496 /nfs/dbraw/zinc/48/34/96/166483496.db2.gz XTEVGSBHQHDAHC-NSHDSACASA-N 1 0 195.281 2.914 10 0 AFAERO CC(C)C[C@@H](C)Nc1cc[nH+]cc1N 37264584 166484383 /nfs/dbraw/zinc/48/43/83/166484383.db2.gz CDSNRHIIABNDQH-SECBINFHSA-N 1 0 193.294 2.510 10 0 AFAERO CC(C)C[C@@H](C)[NH2+]C1CCC1 44480627 166484413 /nfs/dbraw/zinc/48/44/13/166484413.db2.gz HDTOOACVYKQFRY-SECBINFHSA-N 1 0 155.285 2.563 10 0 AFAERO CC(C)C[C@@H]([NH3+])CC(C)(C)C 17407524 166485756 /nfs/dbraw/zinc/48/57/56/166485756.db2.gz KFFSHUALEFUGJD-SECBINFHSA-N 1 0 157.301 2.796 10 0 AFAERO CC(C)C[C@@H]1CCC[C@@H](C[NH3+])C1 76597817 166489646 /nfs/dbraw/zinc/48/96/46/166489646.db2.gz VXJIRVSNPLSCDQ-WDEREUQCSA-N 1 0 169.312 2.798 10 0 AFAERO CC(C)C[C@@H]1C[C@@H](C)CC[C@H]1[NH3+] 43652569 166490178 /nfs/dbraw/zinc/49/01/78/166490178.db2.gz ZFKPYONIERUCBS-HBNTYKKESA-N 1 0 169.312 2.796 10 0 AFAERO CC(C)C[C@@](C)([NH3+])c1ccccc1 37379210 166491151 /nfs/dbraw/zinc/49/11/51/166491151.db2.gz RCRLWOMUBRFALY-GFCCVEGCSA-N 1 0 177.291 2.907 10 0 AFAERO CC(C)C[C@@]1(c2ccccc2)C[C@H]1[NH3+] 52126125 166492043 /nfs/dbraw/zinc/49/20/43/166492043.db2.gz JPDWIACCUJRMGJ-OLZOCXBDSA-N 1 0 189.302 2.702 10 0 AFAERO CC(C)C[C@@]1([NH3+])CCCC[C@@H]1C 37376934 166492684 /nfs/dbraw/zinc/49/26/84/166492684.db2.gz DDNAYABSFYULJR-QWRGUYRKSA-N 1 0 169.312 2.940 10 0 AFAERO CC(C)C[C@H](C)[NH2+]C1CCC1 44480629 166492711 /nfs/dbraw/zinc/49/27/11/166492711.db2.gz HDTOOACVYKQFRY-VIFPVBQESA-N 1 0 155.285 2.563 10 0 AFAERO CC(C)C[C@H](C)Nc1cc[nH+]cc1N 37264585 166494028 /nfs/dbraw/zinc/49/40/28/166494028.db2.gz CDSNRHIIABNDQH-VIFPVBQESA-N 1 0 193.294 2.510 10 0 AFAERO CC(C)C[C@H](C)OCCCCC[NH3+] 49582221 166494637 /nfs/dbraw/zinc/49/46/37/166494637.db2.gz RGFHJOURFUIRFC-NSHDSACASA-N 1 0 187.327 2.567 10 0 AFAERO CC(C)C[C@H]1CCC[C@H](C[NH3+])C1 76597816 166496151 /nfs/dbraw/zinc/49/61/51/166496151.db2.gz VXJIRVSNPLSCDQ-MNOVXSKESA-N 1 0 169.312 2.798 10 0 AFAERO CC(C)C[C@H]([NH3+])C1CCCC1 37466826 166496406 /nfs/dbraw/zinc/49/64/06/166496406.db2.gz USWXAQSCVXXUHD-JTQLQIEISA-N 1 0 155.285 2.550 10 0 AFAERO CC(C)C[C@H]([NH3+])C1CCCCC1 37466823 166496780 /nfs/dbraw/zinc/49/67/80/166496780.db2.gz VBTRKBYNOQLPRS-NSHDSACASA-N 1 0 169.312 2.940 10 0 AFAERO CC(C)C[C@H]1CCC[C@@H](C[NH3+])C1 76597819 166497125 /nfs/dbraw/zinc/49/71/25/166497125.db2.gz VXJIRVSNPLSCDQ-GHMZBOCLSA-N 1 0 169.312 2.798 10 0 AFAERO CC(C)C[C@H]1[NH2+]CC[C@H]1C(C)C 54928883 166497898 /nfs/dbraw/zinc/49/78/98/166497898.db2.gz HXMREPAWKOUZFR-WDEREUQCSA-N 1 0 169.312 2.667 10 0 AFAERO CC(C)C[C@H]1[NH2+]CC[C@H]1c1ccco1 54929063 166499490 /nfs/dbraw/zinc/49/94/90/166499490.db2.gz KSHMMQJYXWRZIC-GHMZBOCLSA-N 1 0 193.290 2.771 10 0 AFAERO CC(C)C[C@]1([NH3+])CCCC[C@H]1C 37376936 166499605 /nfs/dbraw/zinc/49/96/05/166499605.db2.gz DDNAYABSFYULJR-GHMZBOCLSA-N 1 0 169.312 2.940 10 0 AFAERO CC(C)Cc1ccc2c(c1)CC[NH2+]C2 71494762 166500681 /nfs/dbraw/zinc/50/06/81/166500681.db2.gz NZXNGFMRYIZYRB-UHFFFAOYSA-N 1 0 189.302 2.531 10 0 AFAERO CC(C)Cc1ccc(C[C@H](C)[NH3+])cc1 44461998 166502195 /nfs/dbraw/zinc/50/21/95/166502195.db2.gz MMNCVCCEVXHEME-NSHDSACASA-N 1 0 191.318 2.775 10 0 AFAERO CC(C)N(C)c1ccccc1[C@H](C)[NH3+] 19872439 166515776 /nfs/dbraw/zinc/51/57/76/166515776.db2.gz LFYGRWJIZZSCCN-JTQLQIEISA-N 1 0 192.306 2.551 10 0 AFAERO CC(C)[NH+](CCn1cccc1)C(C)C 35120295 166516991 /nfs/dbraw/zinc/51/69/91/166516991.db2.gz RSLJGHZDAFNZAO-UHFFFAOYSA-N 1 0 194.322 2.607 10 0 AFAERO CC(C)[NH2+]C1=CCCC[C@H]1C 100243739 166536722 /nfs/dbraw/zinc/53/67/22/166536722.db2.gz XTDCVWLUZXHAEC-SECBINFHSA-N 1 0 153.269 2.688 10 0 AFAERO CC(C)[NH2+]CC(C)(C)Cc1ccco1 62103031 166537329 /nfs/dbraw/zinc/53/73/29/166537329.db2.gz ZWYYLJOPYHVYOZ-UHFFFAOYSA-N 1 0 195.306 2.846 10 0 AFAERO CC(C)[NH2+]CC(C)(C)C[C@H]1CCCO1 54638282 166538082 /nfs/dbraw/zinc/53/80/82/166538082.db2.gz PWDOIVQENMATGX-LLVKDONJSA-N 1 0 199.338 2.580 10 0 AFAERO CC(C)[NH2+]CC1(c2cccs2)CC1 53738971 166538616 /nfs/dbraw/zinc/53/86/16/166538616.db2.gz GMBYOSIQPICYAZ-UHFFFAOYSA-N 1 0 195.331 2.778 10 0 AFAERO CC(C)[NH2+]C[C@@H]1CCCC[C@H]1C 42856661 166539325 /nfs/dbraw/zinc/53/93/25/166539325.db2.gz AWFGNTAVHOXDLO-MNOVXSKESA-N 1 0 169.312 2.811 10 0 AFAERO CC(C)[NH2+]C[C@@H]1CC12CCSCC2 54595384 166539644 /nfs/dbraw/zinc/53/96/44/166539644.db2.gz ZPCRUEMBHPUPRE-JTQLQIEISA-N 1 0 199.363 2.518 10 0 AFAERO CC(C)[NH2+]CCCc1ccc(F)cc1 41207091 166539740 /nfs/dbraw/zinc/53/97/40/166539740.db2.gz RMIDPEKSUBRCEL-UHFFFAOYSA-N 1 0 195.281 2.756 10 0 AFAERO CC(C)[NH2+]C[C@@H]1CC12CCCCC2 54595084 166539877 /nfs/dbraw/zinc/53/98/77/166539877.db2.gz OCBBBOZPSZVXEQ-NSHDSACASA-N 1 0 181.323 2.955 10 0 AFAERO CC(C)[NH2+]CCOC1CCCCCC1 44422590 166539949 /nfs/dbraw/zinc/53/99/49/166539949.db2.gz CCGGOTWQYHAYMF-UHFFFAOYSA-N 1 0 199.338 2.724 10 0 AFAERO CC(C)[NH2+]CCCc1ccccc1F 41207089 166540894 /nfs/dbraw/zinc/54/08/94/166540894.db2.gz GRKGQSQUCHPSIN-UHFFFAOYSA-N 1 0 195.281 2.756 10 0 AFAERO CC(C)[NH2+]CCc1ccc(F)c(F)c1 55237782 166541513 /nfs/dbraw/zinc/54/15/13/166541513.db2.gz HPIHDUDQCQCSLM-UHFFFAOYSA-N 1 0 199.244 2.505 10 0 AFAERO CC(C)[NH2+]C[C@H]1C[C@]12CCCSC2 61591021 166542053 /nfs/dbraw/zinc/54/20/53/166542053.db2.gz FTDSECDWEHWJSP-MNOVXSKESA-N 1 0 199.363 2.518 10 0 AFAERO CC(C)[NH2+]C[C@H]1CC12CCCCC2 54595086 166542066 /nfs/dbraw/zinc/54/20/66/166542066.db2.gz OCBBBOZPSZVXEQ-LLVKDONJSA-N 1 0 181.323 2.955 10 0 AFAERO CC(C)[NH2+]Cc1c[nH]c2ccccc12 215753 166543655 /nfs/dbraw/zinc/54/36/55/166543655.db2.gz WVNKSWMWIWALSY-UHFFFAOYSA-N 1 0 188.274 2.666 10 0 biogenic AFAERO CC(C)[NH2+]C[C@H]1C[C@]1(C)C(C)C 54595493 166543867 /nfs/dbraw/zinc/54/38/67/166543867.db2.gz AWTPSKLXBUSTMW-GHMZBOCLSA-N 1 0 169.312 2.667 10 0 AFAERO CC(C)[NH2+][C@@H]1CCOc2ccccc21 19881040 166547695 /nfs/dbraw/zinc/54/76/95/166547695.db2.gz PNGVCWPBIJQUKX-LLVKDONJSA-N 1 0 191.274 2.508 10 0 AFAERO CC(C)[NH2+][C@H](C)Cc1cccs1 36993089 166548181 /nfs/dbraw/zinc/54/81/81/166548181.db2.gz ICXIBUIWYFXJIL-SECBINFHSA-N 1 0 183.320 2.677 10 0 AFAERO CC(C)[NH2+][C@H](C)C1CCSCC1 306288330 166548595 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/nfs/dbraw/zinc/01/70/45/167017045.db2.gz RGVJOZUJBYEDFR-RYUDHWBXSA-N 1 0 199.338 2.724 10 0 AFAERO CCCO[C@@H](c1ccsc1)[C@@H](C)[NH3+] 43125492 167017097 /nfs/dbraw/zinc/01/70/97/167017097.db2.gz YHOGOBYFYOMSKK-PSASIEDQSA-N 1 0 199.319 2.563 10 0 AFAERO CCCO[C@@H]1CCCCC[C@@H]1[NH2+]CC 44102658 167017132 /nfs/dbraw/zinc/01/71/32/167017132.db2.gz OVNAAPGCHHIICI-NWDGAFQWSA-N 1 0 199.338 2.724 10 0 AFAERO CCCO[C@H]1C[C@@H](C)CC[C@@H]1[NH2+]CC 44102643 167017406 /nfs/dbraw/zinc/01/74/06/167017406.db2.gz XMFAJCMCGUBSAC-SRVKXCTJSA-N 1 0 199.338 2.580 10 0 AFAERO CCCOc1cc(Cl)ccc1C[NH3+] 62787174 167017450 /nfs/dbraw/zinc/01/74/50/167017450.db2.gz QZIFNGWVAMUCQO-UHFFFAOYSA-N 1 0 199.681 2.588 10 0 AFAERO CCCO[C@H]1C[C@@H](CC)CC[C@@H]1[NH2+]C 44103044 167017472 /nfs/dbraw/zinc/01/74/72/167017472.db2.gz RQRRSJWNYZTHLP-SRVKXCTJSA-N 1 0 199.338 2.580 10 0 AFAERO CCCOc1c(C)cc(C[NH3+])cc1C 20470781 167017624 /nfs/dbraw/zinc/01/76/24/167017624.db2.gz MSUJVBMFLSQUNA-UHFFFAOYSA-N 1 0 193.290 2.551 10 0 AFAERO CCCO[C@H]1CCCCC[C@@H]1[NH2+]CC 44102661 167017733 /nfs/dbraw/zinc/01/77/33/167017733.db2.gz OVNAAPGCHHIICI-RYUDHWBXSA-N 1 0 199.338 2.724 10 0 AFAERO CCCO[C@@H](c1ccsc1)[C@H](C)[NH3+] 43125494 167017765 /nfs/dbraw/zinc/01/77/65/167017765.db2.gz YHOGOBYFYOMSKK-WCBMZHEXSA-N 1 0 199.319 2.563 10 0 AFAERO CCCO[C@H]1C[C@H](CC)CC[C@@H]1[NH2+]C 44103039 167017774 /nfs/dbraw/zinc/01/77/74/167017774.db2.gz RQRRSJWNYZTHLP-WOPDTQHZSA-N 1 0 199.338 2.580 10 0 AFAERO CCCOc1ccc([C@H](C)[NH3+])cc1F 37025605 167018065 /nfs/dbraw/zinc/01/80/65/167018065.db2.gz JHFNWXZYZJGPET-QMMMGPOBSA-N 1 0 197.253 2.634 10 0 AFAERO CCCOc1ccc([C@H](C)[NH3+])c(F)c1 2528616 167018225 /nfs/dbraw/zinc/01/82/25/167018225.db2.gz VKMJYAZJTGDWOA-QMMMGPOBSA-N 1 0 197.253 2.634 10 0 AFAERO CCCOc1ccc([C@@H](C)[NH3+])c(F)c1 28278595 167018244 /nfs/dbraw/zinc/01/82/44/167018244.db2.gz VKMJYAZJTGDWOA-MRVPVSSYSA-N 1 0 197.253 2.634 10 0 AFAERO CCCOc1ccc([C@@H](C)[NH3+])c(C)c1 39321363 167018306 /nfs/dbraw/zinc/01/83/06/167018306.db2.gz WNPDQLDOTYMOGK-SNVBAGLBSA-N 1 0 193.290 2.804 10 0 AFAERO CCCOc1cc(F)ccc1[C@H](C)[NH3+] 62745899 167018526 /nfs/dbraw/zinc/01/85/26/167018526.db2.gz VRHZEJSZOQUZGC-QMMMGPOBSA-N 1 0 197.253 2.634 10 0 AFAERO CCCOc1ccc([C@@H](C)[NH3+])cc1F 37025603 167018674 /nfs/dbraw/zinc/01/86/74/167018674.db2.gz JHFNWXZYZJGPET-MRVPVSSYSA-N 1 0 197.253 2.634 10 0 AFAERO CCCOc1ccc(C[NH3+])cc1Cl 42303189 167019249 /nfs/dbraw/zinc/01/92/49/167019249.db2.gz BVPLWEHIQIGKSU-UHFFFAOYSA-N 1 0 199.681 2.588 10 0 in-vitro AFAERO CCCOc1ccc(C)cc1C[NH2+]C 70954753 167019285 /nfs/dbraw/zinc/01/92/85/167019285.db2.gz BZNNISKNXFAAOY-UHFFFAOYSA-N 1 0 193.290 2.503 10 0 AFAERO CCCOc1cc(F)ccc1[C@@H](C)[NH3+] 62745898 167019305 /nfs/dbraw/zinc/01/93/05/167019305.db2.gz VRHZEJSZOQUZGC-MRVPVSSYSA-N 1 0 197.253 2.634 10 0 AFAERO CCCOc1ccc([C@H](C)[NH3+])c(C)c1 39321364 167019524 /nfs/dbraw/zinc/01/95/24/167019524.db2.gz WNPDQLDOTYMOGK-JTQLQIEISA-N 1 0 193.290 2.804 10 0 AFAERO CCCOc1ccc(C)cc1[C@@H](C)[NH3+] 35629432 167019594 /nfs/dbraw/zinc/01/95/94/167019594.db2.gz WKQGGJIXHYMOMX-SNVBAGLBSA-N 1 0 193.290 2.804 10 0 AFAERO CCCOc1ccc(C[NH3+])c(Cl)c1 61846854 167019717 /nfs/dbraw/zinc/01/97/17/167019717.db2.gz FIZJQXZTFSERAU-UHFFFAOYSA-N 1 0 199.681 2.588 10 0 AFAERO CCCOc1ccc(C)cc1[C@H](C)[NH3+] 35629433 167020014 /nfs/dbraw/zinc/02/00/14/167020014.db2.gz WKQGGJIXHYMOMX-JTQLQIEISA-N 1 0 193.290 2.804 10 0 AFAERO CCCOc1ccc(F)cc1[C@@H](C)[NH3+] 37025599 167020020 /nfs/dbraw/zinc/02/00/20/167020020.db2.gz XHQGDQBOVFPBSL-MRVPVSSYSA-N 1 0 197.253 2.634 10 0 AFAERO CCCOc1ccc(F)cc1[C@H](C)[NH3+] 37025601 167020109 /nfs/dbraw/zinc/02/01/09/167020109.db2.gz XHQGDQBOVFPBSL-QMMMGPOBSA-N 1 0 197.253 2.634 10 0 AFAERO CCCOc1cccc(F)c1[C@@H](C)[NH3+] 37025595 167020783 /nfs/dbraw/zinc/02/07/83/167020783.db2.gz IBDGBCNLMZVVSE-MRVPVSSYSA-N 1 0 197.253 2.634 10 0 AFAERO CCCOc1cccc(Cl)c1C[NH3+] 37025665 167021936 /nfs/dbraw/zinc/02/19/36/167021936.db2.gz HQYNEMNMQSFAFI-UHFFFAOYSA-N 1 0 199.681 2.588 10 0 AFAERO CCCOc1cccc(F)c1[C@H](C)[NH3+] 37025597 167022807 /nfs/dbraw/zinc/02/28/07/167022807.db2.gz IBDGBCNLMZVVSE-QMMMGPOBSA-N 1 0 197.253 2.634 10 0 AFAERO CCCS[C@H](C[NH3+])C(C)(C)C 43297669 167023227 /nfs/dbraw/zinc/02/32/27/167023227.db2.gz OXQIPVQYRAAVKS-MRVPVSSYSA-N 1 0 175.341 2.503 10 0 AFAERO CCCSCC[C@@H]1CCC[NH2+]C1 51920388 167023241 /nfs/dbraw/zinc/02/32/41/167023241.db2.gz YVHQVBSSXOFPOH-JTQLQIEISA-N 1 0 187.352 2.519 10 0 AFAERO CCCSc1ccc(C[NH3+])cc1F 36887051 167023442 /nfs/dbraw/zinc/02/34/42/167023442.db2.gz ROPKBMHQRZLKKG-UHFFFAOYSA-N 1 0 199.294 2.787 10 0 AFAERO CCCSc1ccc(C[NH3+])s1 31893669 167023719 /nfs/dbraw/zinc/02/37/19/167023719.db2.gz JUOZSCBSABACJI-UHFFFAOYSA-N 1 0 187.333 2.709 10 0 AFAERO CCCSCCC[NH2+]C(C)C 42407886 167023724 /nfs/dbraw/zinc/02/37/24/167023724.db2.gz JRSUTHMNOOZJMC-UHFFFAOYSA-N 1 0 175.341 2.518 10 0 AFAERO CCCS[C@@H](c1ccco1)[C@H](C)[NH3+] 43338363 167023788 /nfs/dbraw/zinc/02/37/88/167023788.db2.gz HITRQYSCZASBIE-WCBMZHEXSA-N 1 0 199.319 2.811 10 0 AFAERO CCCS[C@H](C[NH3+])c1ccccc1 33878398 167023793 /nfs/dbraw/zinc/02/37/93/167023793.db2.gz NDQVUHRQBHVUJQ-LLVKDONJSA-N 1 0 195.331 2.830 10 0 AFAERO CCCSCCC[NH2+]C(C)(C)C 42407904 167023834 /nfs/dbraw/zinc/02/38/34/167023834.db2.gz ZGUGCOVCMIDLPW-UHFFFAOYSA-N 1 0 189.368 2.908 10 0 AFAERO CCCSc1ccc(C[NH3+])cc1 35719974 167023869 /nfs/dbraw/zinc/02/38/69/167023869.db2.gz IXCZJHYFYYPMRU-UHFFFAOYSA-N 1 0 181.304 2.647 10 0 AFAERO CCCSCC[C@H]1CCC[NH2+]C1 51920390 167023891 /nfs/dbraw/zinc/02/38/91/167023891.db2.gz YVHQVBSSXOFPOH-SNVBAGLBSA-N 1 0 187.352 2.519 10 0 AFAERO CCCS[C@@H]1CCCC[C@@H]1C[NH3+] 35722467 167023924 /nfs/dbraw/zinc/02/39/24/167023924.db2.gz DYXKWZXJGCCIFP-NXEZZACHSA-N 1 0 187.352 2.647 10 0 AFAERO CCCS[C@@H](C[NH3+])C(C)(C)C 43297668 167023978 /nfs/dbraw/zinc/02/39/78/167023978.db2.gz OXQIPVQYRAAVKS-QMMMGPOBSA-N 1 0 175.341 2.503 10 0 AFAERO CCCS[C@@H]([C@H](C)[NH3+])C(C)(C)C 43297676 167024012 /nfs/dbraw/zinc/02/40/12/167024012.db2.gz NHXQHUWFMBCLOD-IUCAKERBSA-N 1 0 189.368 2.892 10 0 AFAERO CCCS[C@@H]([C@@H](C)[NH3+])C(C)(C)C 43297674 167024078 /nfs/dbraw/zinc/02/40/78/167024078.db2.gz NHXQHUWFMBCLOD-BDAKNGLRSA-N 1 0 189.368 2.892 10 0 AFAERO CCCS[C@@H]1CCCC[C@H]1C[NH3+] 35722469 167024105 /nfs/dbraw/zinc/02/41/05/167024105.db2.gz DYXKWZXJGCCIFP-VHSXEESVSA-N 1 0 187.352 2.647 10 0 AFAERO CCCS[C@H]1CCCC[C@H]1C[NH3+] 35722470 167024117 /nfs/dbraw/zinc/02/41/17/167024117.db2.gz DYXKWZXJGCCIFP-UWVGGRQHSA-N 1 0 187.352 2.647 10 0 AFAERO CCCS[C@@H](C[NH3+])c1ccccc1 33878397 167024119 /nfs/dbraw/zinc/02/41/19/167024119.db2.gz NDQVUHRQBHVUJQ-NSHDSACASA-N 1 0 195.331 2.830 10 0 AFAERO CCCS[C@H](c1ccco1)[C@H](C)[NH3+] 43338364 167024274 /nfs/dbraw/zinc/02/42/74/167024274.db2.gz HITRQYSCZASBIE-WPRPVWTQSA-N 1 0 199.319 2.811 10 0 AFAERO CCCSCC[NH2+]C(C)(C)C 42407902 167024301 /nfs/dbraw/zinc/02/43/01/167024301.db2.gz HJRXEQHSVBJVFL-UHFFFAOYSA-N 1 0 175.341 2.518 10 0 AFAERO CCCS[C@@H](c1ccco1)[C@@H](C)[NH3+] 43338361 167024381 /nfs/dbraw/zinc/02/43/81/167024381.db2.gz HITRQYSCZASBIE-PSASIEDQSA-N 1 0 199.319 2.811 10 0 AFAERO CCCS[C@H]([C@@H](C)[NH3+])C(C)(C)C 43297675 167024659 /nfs/dbraw/zinc/02/46/59/167024659.db2.gz NHXQHUWFMBCLOD-RKDXNWHRSA-N 1 0 189.368 2.892 10 0 AFAERO CCCSc1ccc(C[NH3+])cc1C 37733435 167024707 /nfs/dbraw/zinc/02/47/07/167024707.db2.gz IPEDCBKWDPLGCM-UHFFFAOYSA-N 1 0 195.331 2.956 10 0 AFAERO CCCSCC[C@H]1CCCC[NH2+]1 43499501 167024820 /nfs/dbraw/zinc/02/48/20/167024820.db2.gz OCPYTYSPUDVFOK-SNVBAGLBSA-N 1 0 187.352 2.662 10 0 AFAERO CCCSCC[C@@H]1CCCC[NH2+]1 43499499 167024875 /nfs/dbraw/zinc/02/48/75/167024875.db2.gz OCPYTYSPUDVFOK-JTQLQIEISA-N 1 0 187.352 2.662 10 0 AFAERO CCCS[C@@H](C[NH3+])c1ccc(C)o1 43367447 167024876 /nfs/dbraw/zinc/02/48/76/167024876.db2.gz WLRJDFHRBWVDRU-JTQLQIEISA-N 1 0 199.319 2.731 10 0 AFAERO CCCS[C@H]1CCCC[C@@H]1C[NH3+] 35722468 167024910 /nfs/dbraw/zinc/02/49/10/167024910.db2.gz DYXKWZXJGCCIFP-ZJUUUORDSA-N 1 0 187.352 2.647 10 0 AFAERO CCCS[C@H]([C@H](C)[NH3+])C(C)(C)C 43297677 167024960 /nfs/dbraw/zinc/02/49/60/167024960.db2.gz NHXQHUWFMBCLOD-DTWKUNHWSA-N 1 0 189.368 2.892 10 0 AFAERO CCCSc1ccccc1C[NH3+] 35719980 167024969 /nfs/dbraw/zinc/02/49/69/167024969.db2.gz XRASNNQAEZTAAZ-UHFFFAOYSA-N 1 0 181.304 2.647 10 0 AFAERO CCCS[C@H](C[NH3+])c1ccc(C)o1 43367448 167025053 /nfs/dbraw/zinc/02/50/53/167025053.db2.gz WLRJDFHRBWVDRU-SNVBAGLBSA-N 1 0 199.319 2.731 10 0 AFAERO CCC[C@@H](C)C[NH2+]Cc1ccccn1 20091662 167028424 /nfs/dbraw/zinc/02/84/24/167028424.db2.gz APLDUBMGNFBPQZ-LLVKDONJSA-N 1 0 192.306 2.607 10 0 AFAERO CCC[C@@H](C)C[NH2+][C@H](C)CC 20085678 167028589 /nfs/dbraw/zinc/02/85/89/167028589.db2.gz VMZZQLVMOWJJAN-NXEZZACHSA-N 1 0 157.301 2.811 10 0 AFAERO CCC[C@@H](C)C[NH2+][C@@H]1CCC[C@@H]1OC 50370167 167028614 /nfs/dbraw/zinc/02/86/14/167028614.db2.gz MMGNSTNLUKGCEN-UTUOFQBUSA-N 1 0 199.338 2.580 10 0 AFAERO CCC[C@@H](C)CC[C@H](C)[NH3+] 1843701 167028655 /nfs/dbraw/zinc/02/86/55/167028655.db2.gz JHLSRARFRAZKEV-BDAKNGLRSA-N 1 0 143.274 2.550 10 0 AFAERO CCC[C@@H](C)CC[C@@H]([NH3+])CC 51321881 167028776 /nfs/dbraw/zinc/02/87/76/167028776.db2.gz XFXRDNJUXJCGIX-ZJUUUORDSA-N 1 0 157.301 2.940 10 0 AFAERO CCC[C@@H](C)CC[C@H]([NH3+])CC 51321877 167028927 /nfs/dbraw/zinc/02/89/27/167028927.db2.gz XFXRDNJUXJCGIX-NXEZZACHSA-N 1 0 157.301 2.940 10 0 AFAERO CCC[C@@H](C)C[NH2+]CC(C)C 20085842 167029026 /nfs/dbraw/zinc/02/90/26/167029026.db2.gz HEWCUCZIMHFQES-SNVBAGLBSA-N 1 0 157.301 2.668 10 0 AFAERO CCC[C@@H](C)CC(C)(C)[NH3+] 53757990 167029067 /nfs/dbraw/zinc/02/90/67/167029067.db2.gz ZAGJJBLDTNCBRW-MRVPVSSYSA-N 1 0 143.274 2.550 10 0 AFAERO CCC[C@@H](C)CC[C@H](C)[NH2+]C 51321911 167029076 /nfs/dbraw/zinc/02/90/76/167029076.db2.gz SWLLLYNWJZACNK-ZJUUUORDSA-N 1 0 157.301 2.811 10 0 AFAERO CCC[C@@H](C)C[NH2+][C@@H](C)CC 20085676 167029134 /nfs/dbraw/zinc/02/91/34/167029134.db2.gz 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/nfs/dbraw/zinc/27/12/99/167271299.db2.gz JZXYPCBIFBAXEI-ONGXEEELSA-N 1 0 193.265 2.539 10 0 AFAERO CC[NH2+]C[C@@H]1C[C@H]1c1cccc(F)c1 54590220 167271414 /nfs/dbraw/zinc/27/14/14/167271414.db2.gz WGKNBUQBYJLIIM-JQWIXIFHSA-N 1 0 193.265 2.539 10 0 AFAERO CC[NH2+]C[C@@H]1C[C@@]1(C)c1ccccc1 54591791 167271527 /nfs/dbraw/zinc/27/15/27/167271527.db2.gz ORDWTRIXKMCHMS-STQMWFEESA-N 1 0 189.302 2.574 10 0 AFAERO CC[NH2+]C[C@@H]1CC12CCCCCC2 54592047 167271555 /nfs/dbraw/zinc/27/15/55/167271555.db2.gz TVNMUDHHKKJURB-NSHDSACASA-N 1 0 181.323 2.956 10 0 AFAERO CC[NH2+]C[C@@H]1C[C@H]1c1sccc1C 54590446 167271705 /nfs/dbraw/zinc/27/17/05/167271705.db2.gz WAVHYTUPDQQSOV-VHSXEESVSA-N 1 0 195.331 2.770 10 0 AFAERO CC[NH2+]C[C@@H]1C[C@@H]1c1ccc(C)cc1 54590471 167271795 /nfs/dbraw/zinc/27/17/95/167271795.db2.gz UGIYHANDLVTKJQ-QWHCGFSZSA-N 1 0 189.302 2.708 10 0 AFAERO CC[NH2+]C[C@@H]1C[C@]1(C)C1CCCC1 54591121 167271814 /nfs/dbraw/zinc/27/18/14/167271814.db2.gz GPWDKWWIJLJNLT-NWDGAFQWSA-N 1 0 181.323 2.812 10 0 AFAERO CC[NH2+]C[C@@](C)(CC)OC(C)(C)C 51959334 167271818 /nfs/dbraw/zinc/27/18/18/167271818.db2.gz YCXIDNDGZXOMIL-LLVKDONJSA-N 1 0 187.327 2.580 10 0 AFAERO CC[NH2+]C[C@@H]1C[C@@H]1c1ccc(F)cc1 54590537 167271952 /nfs/dbraw/zinc/27/19/52/167271952.db2.gz MYVHNUSEVKBDRJ-CMPLNLGQSA-N 1 0 193.265 2.539 10 0 AFAERO CC[NH2+]C[C@H]1CC12CCCCCC2 54592048 167272063 /nfs/dbraw/zinc/27/20/63/167272063.db2.gz TVNMUDHHKKJURB-LLVKDONJSA-N 1 0 181.323 2.956 10 0 AFAERO CC[NH2+]C[C@@H]1CC12CCC(C)CC2 54591935 167272066 /nfs/dbraw/zinc/27/20/66/167272066.db2.gz DYPSBSODNBKFBN-CXQJBGSLSA-N 1 0 181.323 2.812 10 0 AFAERO CC[NH2+]C[C@H]1CC12CCC(C)CC2 54591938 167272105 /nfs/dbraw/zinc/27/21/05/167272105.db2.gz DYPSBSODNBKFBN-MOENNCHZSA-N 1 0 181.323 2.812 10 0 AFAERO CC[NH2+]C[C@H](CC)C(C)(C)C 18681341 167272109 /nfs/dbraw/zinc/27/21/09/167272109.db2.gz OCQODGVEKCKKLD-VIFPVBQESA-N 1 0 157.301 2.668 10 0 AFAERO CC[NH2+]C[C@@H]1C[C@H]1c1cccc(C)c1 54590227 167272187 /nfs/dbraw/zinc/27/21/87/167272187.db2.gz GNCBAWBQCYWDGV-STQMWFEESA-N 1 0 189.302 2.708 10 0 AFAERO CC[NH2+]C[C@@H]1C[C@H]1c1ccc(C)cc1 54590475 167272242 /nfs/dbraw/zinc/27/22/42/167272242.db2.gz UGIYHANDLVTKJQ-STQMWFEESA-N 1 0 189.302 2.708 10 0 AFAERO CC[NH2+]C[C@@H]1C[C@@]1(C)C1CCCC1 54591117 167272293 /nfs/dbraw/zinc/27/22/93/167272293.db2.gz GPWDKWWIJLJNLT-RYUDHWBXSA-N 1 0 181.323 2.812 10 0 AFAERO CC[NH2+]C[C@@H]1C[C@@H]1c1ccc(C)s1 54590837 167272375 /nfs/dbraw/zinc/27/23/75/167272375.db2.gz IGTSGYHFDOBHJS-UWVGGRQHSA-N 1 0 195.331 2.770 10 0 AFAERO CC[NH2+]C[C@@H]1C[C@H]1c1ccccc1C 54590468 167272503 /nfs/dbraw/zinc/27/25/03/167272503.db2.gz XFNQEQCZFRKHSY-WCQYABFASA-N 1 0 189.302 2.708 10 0 AFAERO CC[NH2+]C[C@@H]1C[C@@H]1c1cccc(F)c1 54590217 167272564 /nfs/dbraw/zinc/27/25/64/167272564.db2.gz WGKNBUQBYJLIIM-CMPLNLGQSA-N 1 0 193.265 2.539 10 0 AFAERO CC[NH2+]C[C@@](C)(CC)O[C@H](C)CC 51959684 167272598 /nfs/dbraw/zinc/27/25/98/167272598.db2.gz HPUONEHNXIUNQZ-GHMZBOCLSA-N 1 0 187.327 2.580 10 0 AFAERO CC[NH2+]C[C@@H]1C[C@@H]1c1cccc(C)c1 54590224 167272658 /nfs/dbraw/zinc/27/26/58/167272658.db2.gz GNCBAWBQCYWDGV-QWHCGFSZSA-N 1 0 189.302 2.708 10 0 AFAERO CC[NH2+]C[C@@H]1C[C@]1(C)c1ccsc1 54591671 167272674 /nfs/dbraw/zinc/27/26/74/167272674.db2.gz PEEQLQJZQDNTGV-WDEREUQCSA-N 1 0 195.331 2.635 10 0 AFAERO CC[NH2+]C[C@@](C)(CC)O[C@@H](C)CC 51959686 167272707 /nfs/dbraw/zinc/27/27/07/167272707.db2.gz HPUONEHNXIUNQZ-WDEREUQCSA-N 1 0 187.327 2.580 10 0 AFAERO CC[NH2+]C[C@@](C)(CC)OC1CCCC1 51958222 167272786 /nfs/dbraw/zinc/27/27/86/167272786.db2.gz LUONXTXNRRYWOY-GFCCVEGCSA-N 1 0 199.338 2.724 10 0 AFAERO CC[NH2+]C[C@@H]1C[C@H]1c1ccc(F)cc1 54590541 167272840 /nfs/dbraw/zinc/27/28/40/167272840.db2.gz MYVHNUSEVKBDRJ-JQWIXIFHSA-N 1 0 193.265 2.539 10 0 AFAERO CC[NH2+]C[C@@H]1C[C@]1(C)c1cccs1 54591168 167272846 /nfs/dbraw/zinc/27/28/46/167272846.db2.gz WKEMFFKTXJNVGC-ONGXEEELSA-N 1 0 195.331 2.635 10 0 AFAERO CC[NH2+]C[C@@H]1CC12CCCCC2 54591282 167272883 /nfs/dbraw/zinc/27/28/83/167272883.db2.gz NCTLHQRDIQAQMR-JTQLQIEISA-N 1 0 167.296 2.566 10 0 AFAERO CC[NH2+]C[C@@H]1CCCc2ccccc21 36870885 167272955 /nfs/dbraw/zinc/27/29/55/167272955.db2.gz IIYVPFPPNPDVPE-LBPRGKRZSA-N 1 0 189.302 2.716 10 0 AFAERO CC[NH2+]C[C@H]1CC12CCCCC2 54591284 167273018 /nfs/dbraw/zinc/27/30/18/167273018.db2.gz NCTLHQRDIQAQMR-SNVBAGLBSA-N 1 0 167.296 2.566 10 0 AFAERO CC[NH2+]C[C@H]1C[C@H]1c1ccccc1C 54590470 167273314 /nfs/dbraw/zinc/27/33/14/167273314.db2.gz XFNQEQCZFRKHSY-DGCLKSJQSA-N 1 0 189.302 2.708 10 0 AFAERO CC[NH2+]C[C@](C)(CC)OC1CCCC1 51958220 167273340 /nfs/dbraw/zinc/27/33/40/167273340.db2.gz LUONXTXNRRYWOY-LBPRGKRZSA-N 1 0 199.338 2.724 10 0 AFAERO CC[NH2+]C[C@H]1C[C@]1(C)c1ccccc1 54591796 167273413 /nfs/dbraw/zinc/27/34/13/167273413.db2.gz ORDWTRIXKMCHMS-CHWSQXEVSA-N 1 0 189.302 2.574 10 0 AFAERO CC[NH2+]C[C@H]1C[C@]1(C)c1ccsc1 54591673 167273437 /nfs/dbraw/zinc/27/34/37/167273437.db2.gz PEEQLQJZQDNTGV-GHMZBOCLSA-N 1 0 195.331 2.635 10 0 AFAERO CC[NH2+]C[C@H]1C[C@H]1c1cccc(C)c1 54590229 167273493 /nfs/dbraw/zinc/27/34/93/167273493.db2.gz GNCBAWBQCYWDGV-OLZOCXBDSA-N 1 0 189.302 2.708 10 0 AFAERO CC[NH2+]C[C@H]1C[C@]1(C)C1CCCC1 54591123 167273559 /nfs/dbraw/zinc/27/35/59/167273559.db2.gz GPWDKWWIJLJNLT-VXGBXAGGSA-N 1 0 181.323 2.812 10 0 AFAERO CC[NH2+]C[C@H]1C[C@@H]1c1ccc(C)cc1 54590473 167273582 /nfs/dbraw/zinc/27/35/82/167273582.db2.gz UGIYHANDLVTKJQ-CHWSQXEVSA-N 1 0 189.302 2.708 10 0 AFAERO CC[NH2+]C[C@H]1C[C@H]1c1ccc(F)cc1 54590543 167273607 /nfs/dbraw/zinc/27/36/07/167273607.db2.gz MYVHNUSEVKBDRJ-PWSUYJOCSA-N 1 0 193.265 2.539 10 0 AFAERO CC[NH2+]C[C@](C)(CC)O[C@@H](C)CC 51959682 167273711 /nfs/dbraw/zinc/27/37/11/167273711.db2.gz HPUONEHNXIUNQZ-QWRGUYRKSA-N 1 0 187.327 2.580 10 0 AFAERO CC[NH2+]Cc1ccc(Cl)cc1F 36947822 167273742 /nfs/dbraw/zinc/27/37/42/167273742.db2.gz MHLPBANEHPLGPY-UHFFFAOYSA-N 1 0 187.645 2.589 10 0 AFAERO CC[NH2+]C[C@H]1CCCc2ccccc21 36870886 167273924 /nfs/dbraw/zinc/27/39/24/167273924.db2.gz IIYVPFPPNPDVPE-GFCCVEGCSA-N 1 0 189.302 2.716 10 0 AFAERO CC[NH2+]C[C@H]1C[C@H]1c1ccc(C)s1 54590842 167273980 /nfs/dbraw/zinc/27/39/80/167273980.db2.gz IGTSGYHFDOBHJS-NXEZZACHSA-N 1 0 195.331 2.770 10 0 AFAERO CC[NH2+]Cc1c(C)[nH]c2ccccc12 45205405 167274025 /nfs/dbraw/zinc/27/40/25/167274025.db2.gz DEZXRSDXSBWHDC-UHFFFAOYSA-N 1 0 188.274 2.586 10 0 AFAERO CC[NH2+]C[C@H]1C[C@@H]1c1sccc1C 54590445 167274074 /nfs/dbraw/zinc/27/40/74/167274074.db2.gz WAVHYTUPDQQSOV-ZJUUUORDSA-N 1 0 195.331 2.770 10 0 AFAERO CC[NH2+]C[C@H]1C[C@@H]1c1ccc(C)s1 54590838 167274217 /nfs/dbraw/zinc/27/42/17/167274217.db2.gz IGTSGYHFDOBHJS-ZJUUUORDSA-N 1 0 195.331 2.770 10 0 AFAERO CC[NH2+]C[C@H]1C[C@@]1(C)c1cccs1 54591166 167274233 /nfs/dbraw/zinc/27/42/33/167274233.db2.gz WKEMFFKTXJNVGC-MWLCHTKSSA-N 1 0 195.331 2.635 10 0 AFAERO CC[NH2+]C[C@H]1C[C@@H]1c1cccc(F)c1 54590218 167274240 /nfs/dbraw/zinc/27/42/40/167274240.db2.gz WGKNBUQBYJLIIM-ZYHUDNBSSA-N 1 0 193.265 2.539 10 0 AFAERO CC[NH2+]C[C@H]1C[C@H]1c1ccc(C)cc1 54590477 167274365 /nfs/dbraw/zinc/27/43/65/167274365.db2.gz UGIYHANDLVTKJQ-OLZOCXBDSA-N 1 0 189.302 2.708 10 0 AFAERO CC[NH2+]Cc1cc2cc(C)ccc2o1 42893484 167274388 /nfs/dbraw/zinc/27/43/88/167274388.db2.gz KHCPIPGJGVCSTC-UHFFFAOYSA-N 1 0 189.258 2.851 10 0 AFAERO CC[NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1 19438366 167274407 /nfs/dbraw/zinc/27/44/07/167274407.db2.gz MAWQJYRSVHMLAY-WPRPVWTQSA-N 1 0 179.263 2.513 10 0 AFAERO CC[NH2+]Cc1cc(F)cc(Cl)c1 6385333 167274412 /nfs/dbraw/zinc/27/44/12/167274412.db2.gz GUQUBIDXRKHURR-UHFFFAOYSA-N 1 0 187.645 2.589 10 0 AFAERO CC[NH2+]Cc1cc(Cl)ccc1C 83340877 167274415 /nfs/dbraw/zinc/27/44/15/167274415.db2.gz METUKHIKDUZDCO-UHFFFAOYSA-N 1 0 183.682 2.758 10 0 AFAERO CC[NH2+]C[C@H]1C[C@@H]1c1ccccc1F 54590729 167274610 /nfs/dbraw/zinc/27/46/10/167274610.db2.gz JZXYPCBIFBAXEI-KOLCDFICSA-N 1 0 193.265 2.539 10 0 AFAERO CC[NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1 19438368 167274800 /nfs/dbraw/zinc/27/48/00/167274800.db2.gz MAWQJYRSVHMLAY-PSASIEDQSA-N 1 0 179.263 2.513 10 0 AFAERO CC[NH2+]C[C@](C)(CC)OC(C)(C)C 51959333 167274927 /nfs/dbraw/zinc/27/49/27/167274927.db2.gz YCXIDNDGZXOMIL-NSHDSACASA-N 1 0 187.327 2.580 10 0 AFAERO CC[NH2+]C[C@](C)(CC)O[C@H](C)CC 51959681 167275186 /nfs/dbraw/zinc/27/51/86/167275186.db2.gz HPUONEHNXIUNQZ-MNOVXSKESA-N 1 0 187.327 2.580 10 0 AFAERO CC[NH2+]C[C@H]1C[C@H]1c1cccc(F)c1 54590222 167275250 /nfs/dbraw/zinc/27/52/50/167275250.db2.gz WGKNBUQBYJLIIM-PWSUYJOCSA-N 1 0 193.265 2.539 10 0 AFAERO CC[NH2+]C[C@H]1C[C@@]1(C)c1ccsc1 54591669 167275270 /nfs/dbraw/zinc/27/52/70/167275270.db2.gz PEEQLQJZQDNTGV-MNOVXSKESA-N 1 0 195.331 2.635 10 0 AFAERO CC[NH2+]C[C@H]1C[C@@H]1c1ccc(F)cc1 54590539 167275272 /nfs/dbraw/zinc/27/52/72/167275272.db2.gz MYVHNUSEVKBDRJ-ZYHUDNBSSA-N 1 0 193.265 2.539 10 0 AFAERO CC[NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1 19438364 167275333 /nfs/dbraw/zinc/27/53/33/167275333.db2.gz MAWQJYRSVHMLAY-WCBMZHEXSA-N 1 0 179.263 2.513 10 0 AFAERO CC[NH2+]Cc1ccc(F)c(C2CC2)c1 52886487 167275380 /nfs/dbraw/zinc/27/53/80/167275380.db2.gz XJPHGSOWHRDKGQ-UHFFFAOYSA-N 1 0 193.265 2.813 10 0 AFAERO CC[NH2+]C[C@H]1C[C@@H]1c1ccccc1C 54590466 167275413 /nfs/dbraw/zinc/27/54/13/167275413.db2.gz XFNQEQCZFRKHSY-YPMHNXCESA-N 1 0 189.302 2.708 10 0 AFAERO CC[NH2+]C[C@H]1C[C@H]1c1ccccc1F 54590734 167275443 /nfs/dbraw/zinc/27/54/43/167275443.db2.gz JZXYPCBIFBAXEI-MWLCHTKSSA-N 1 0 193.265 2.539 10 0 AFAERO CC[NH2+]C[C@H]1C[C@@]1(C)c1ccccc1 54591793 167275446 /nfs/dbraw/zinc/27/54/46/167275446.db2.gz ORDWTRIXKMCHMS-OLZOCXBDSA-N 1 0 189.302 2.574 10 0 AFAERO CC[NH2+]Cc1ccc(C2CC2)cc1F 52886535 167275474 /nfs/dbraw/zinc/27/54/74/167275474.db2.gz MEZJMRAGWSOLHU-UHFFFAOYSA-N 1 0 193.265 2.813 10 0 AFAERO CC[NH2+]C[C@H]1C[C@@]1(C)C1CCCC1 54591119 167275512 /nfs/dbraw/zinc/27/55/12/167275512.db2.gz GPWDKWWIJLJNLT-NEPJUHHUSA-N 1 0 181.323 2.812 10 0 AFAERO CC[NH2+]Cc1ccc([C@H]2C[C@H]2C)o1 19438370 167275550 /nfs/dbraw/zinc/27/55/50/167275550.db2.gz MAWQJYRSVHMLAY-SCZZXKLOSA-N 1 0 179.263 2.513 10 0 AFAERO CC[NH2+]Cc1cc(C2CC2)ccc1F 52886524 167275566 /nfs/dbraw/zinc/27/55/66/167275566.db2.gz XTELSPWKTGDZMY-UHFFFAOYSA-N 1 0 193.265 2.813 10 0 AFAERO CC[NH2+]C[C@H]1C[C@]1(C)c1cccs1 54591170 167275574 /nfs/dbraw/zinc/27/55/74/167275574.db2.gz WKEMFFKTXJNVGC-KOLCDFICSA-N 1 0 195.331 2.635 10 0 AFAERO CC[NH2+]Cc1cc2c(s1)CCCC2 36947815 167275685 /nfs/dbraw/zinc/27/56/85/167275685.db2.gz CVPYLEWIPJJOCE-UHFFFAOYSA-N 1 0 195.331 2.736 10 0 AFAERO CC[NH2+]C[C@H]1C[C@H]1c1sccc1C 54590448 167275696 /nfs/dbraw/zinc/27/56/96/167275696.db2.gz WAVHYTUPDQQSOV-NXEZZACHSA-N 1 0 195.331 2.770 10 0 AFAERO CC[NH2+]C[C@H]1C[C@@H]1c1cccc(C)c1 54590225 167275751 /nfs/dbraw/zinc/27/57/51/167275751.db2.gz GNCBAWBQCYWDGV-CHWSQXEVSA-N 1 0 189.302 2.708 10 0 AFAERO CC[NH2+]Cc1csc([C@@H](C)CC)n1 51690627 167276362 /nfs/dbraw/zinc/27/63/62/167276362.db2.gz XWYXGIJOXWJDSE-QMMMGPOBSA-N 1 0 198.335 2.766 10 0 AFAERO CC[NH2+]Cc1coc2ccccc12 45206668 167276369 /nfs/dbraw/zinc/27/63/69/167276369.db2.gz CFIZAMYVISLNMO-UHFFFAOYSA-N 1 0 175.231 2.542 10 0 AFAERO CC[NH2+]Cc1sc(C(C)C)nc1C 52330294 167276803 /nfs/dbraw/zinc/27/68/03/167276803.db2.gz TUBLEVPBHAOQGK-UHFFFAOYSA-N 1 0 198.335 2.684 10 0 AFAERO CC[NH2+]Cc1csc(C(C)(C)C)n1 20216487 167276865 /nfs/dbraw/zinc/27/68/65/167276865.db2.gz FDLGJOJJOWFIHC-UHFFFAOYSA-N 1 0 198.335 2.550 10 0 AFAERO CC[NH2+]Cc1oc2ccccc2c1C 45206664 167277005 /nfs/dbraw/zinc/27/70/05/167277005.db2.gz HYJSTHBQERTAOF-UHFFFAOYSA-N 1 0 189.258 2.851 10 0 AFAERO CC[NH2+]Cc1nc(C(C)(C)C)cs1 45205806 167277236 /nfs/dbraw/zinc/27/72/36/167277236.db2.gz RPKMVSRXLJMSHE-UHFFFAOYSA-N 1 0 198.335 2.550 10 0 AFAERO CC[NH2+]Cc1cnc([C@@H](C)CC)s1 51690561 167277849 /nfs/dbraw/zinc/27/78/49/167277849.db2.gz YBUAGOSWOOFKKZ-QMMMGPOBSA-N 1 0 198.335 2.766 10 0 AFAERO CC[NH2+]Cc1ccc2occc2c1 307726288 167277875 /nfs/dbraw/zinc/27/78/75/167277875.db2.gz CDGGQEQBEBUSPX-UHFFFAOYSA-N 1 0 175.231 2.542 10 0 AFAERO CC[NH2+]Cc1cnc([C@H](C)CC)s1 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10 0 AFAERO C[NH2+][C@@H]1CCC[C@H]1CCC(C)C 42398552 168041349 /nfs/dbraw/zinc/04/13/49/168041349.db2.gz KFHMYUWOGKWKSM-WDEREUQCSA-N 1 0 169.312 2.811 10 0 AFAERO C[NH2+][C@@H]1CCCC[C@@H]1c1cccs1 60715268 168041470 /nfs/dbraw/zinc/04/14/70/168041470.db2.gz FTECIROYEUAGEY-VHSXEESVSA-N 1 0 195.331 2.994 10 0 AFAERO C[NH2+][C@@H]1CCC[C@H]1OCCCC(C)C 44096790 168041473 /nfs/dbraw/zinc/04/14/73/168041473.db2.gz LTUUKQGAIGULBT-VXGBXAGGSA-N 1 0 199.338 2.580 10 0 AFAERO CC[C@@H](C[NH3+])C1CCCCCC1 82401216 167505343 /nfs/dbraw/zinc/50/53/43/167505343.db2.gz RUIWIBYZCUBBRZ-JTQLQIEISA-N 1 0 169.312 2.942 10 0 AFAERO C[NH2+][C@@H]1CCCC[C@H]1CC(C)C 42402385 168041886 /nfs/dbraw/zinc/04/18/86/168041886.db2.gz OLUKSUIFXIUOFH-WDEREUQCSA-N 1 0 169.312 2.811 10 0 AFAERO C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1F 60716000 168041960 /nfs/dbraw/zinc/04/19/60/168041960.db2.gz ZGAHFLRWADJIDK-ZYHUDNBSSA-N 1 0 193.265 2.681 10 0 AFAERO C[NH2+][C@@H]1CCC[C@@H]1CC1CCCC1 48770169 168042129 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169.312 2.667 10 0 AFAERO C[NH2+][C@@H]1CC[C@@H](c2ccccc2C)C1 70640356 168043029 /nfs/dbraw/zinc/04/30/29/168043029.db2.gz PDDBZQUQKXRGPJ-VXGBXAGGSA-N 1 0 189.302 2.851 10 0 AFAERO C[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 35014578 168043061 /nfs/dbraw/zinc/04/30/61/168043061.db2.gz OBZUXZRKFUYEOU-GMTAPVOTSA-N 1 0 167.296 2.565 10 0 AFAERO C[NH2+][C@@H]1CCc2c(C)cc(C)cc21 42405233 168043082 /nfs/dbraw/zinc/04/30/82/168043082.db2.gz ZGOSJDUHANHDNI-GFCCVEGCSA-N 1 0 175.275 2.510 10 0 AFAERO C[NH2+][C@@H]1CC[C@H](C)c2ccccc21 38996009 168043088 /nfs/dbraw/zinc/04/30/88/168043088.db2.gz BSXUPXHDEVUMCO-JOYOIKCWSA-N 1 0 175.275 2.844 10 0 AFAERO C[NH2+][C@@H]1CC[C@@H](c2cccc(F)c2)C1 70640342 168043099 /nfs/dbraw/zinc/04/30/99/168043099.db2.gz HHMKARCMSRLHCF-ZYHUDNBSSA-N 1 0 193.265 2.681 10 0 AFAERO C[NH2+][C@@H]1C[C@H]2CC[C@@H]1c1ccccc12 27658095 168043187 /nfs/dbraw/zinc/04/31/87/168043187.db2.gz WIKWYQRRQLCIEC-OASPWFOLSA-N 1 0 187.286 2.639 10 0 AFAERO C[NH2+][C@@H]1CC[C@H](c2cccs2)C1 70640602 168043195 /nfs/dbraw/zinc/04/31/95/168043195.db2.gz BBICGMGQAFQIFQ-DTWKUNHWSA-N 1 0 181.304 2.604 10 0 AFAERO C[NH2+][C@@H]1CC[C@@H](c2cccc(C)c2)C1 70640294 168043203 /nfs/dbraw/zinc/04/32/03/168043203.db2.gz NKUGDZBDCCNZIC-CHWSQXEVSA-N 1 0 189.302 2.851 10 0 AFAERO C[NH2+][C@@H]1CCc2c(Cl)cccc21 42405181 168043206 /nfs/dbraw/zinc/04/32/06/168043206.db2.gz MXYNDLZBGYJIPH-SNVBAGLBSA-N 1 0 181.666 2.547 10 0 AFAERO C[NH2+][C@@H]1CCSc2ccc(C)cc21 35761498 168043228 /nfs/dbraw/zinc/04/32/28/168043228.db2.gz BZHZZOBAAZPRGG-SNVBAGLBSA-N 1 0 193.315 2.751 10 0 AFAERO C[NH2+][C@@H]1C[C@@H](C)Sc2ccccc21 35761893 168043232 /nfs/dbraw/zinc/04/32/32/168043232.db2.gz CODYVIWAQOLVBN-PSASIEDQSA-N 1 0 193.315 2.831 10 0 AFAERO C[NH2+][C@@H]1CC[C@@H](c2cccs2)C1 70640606 168043263 /nfs/dbraw/zinc/04/32/63/168043263.db2.gz BBICGMGQAFQIFQ-RKDXNWHRSA-N 1 0 181.304 2.604 10 0 AFAERO C[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 70640067 168043301 /nfs/dbraw/zinc/04/33/01/168043301.db2.gz PFHBNCSOOUEGKQ-VXGBXAGGSA-N 1 0 175.275 2.542 10 0 AFAERO C[NH2+][C@@H]1CC[C@@H](c2ccc(C)cc2)C1 70640430 168043452 /nfs/dbraw/zinc/04/34/52/168043452.db2.gz FPIDUOSAWDLWFV-CHWSQXEVSA-N 1 0 189.302 2.851 10 0 AFAERO C[NH2+][C@@H]1CC[C@H](c2cccc(F)c2)C1 70640337 168043479 /nfs/dbraw/zinc/04/34/79/168043479.db2.gz HHMKARCMSRLHCF-CMPLNLGQSA-N 1 0 193.265 2.681 10 0 AFAERO C[NH2+][C@@H]1CC[C@H](c2ccccc2F)C1 70640367 168043567 /nfs/dbraw/zinc/04/35/67/168043567.db2.gz VEYJYQWETQUFKE-VHSXEESVSA-N 1 0 193.265 2.681 10 0 AFAERO C[NH2+][C@@H]1CCc2cc(C)cc(C)c21 43393149 168043603 /nfs/dbraw/zinc/04/36/03/168043603.db2.gz ZNLQTZDUVXBXEG-LLVKDONJSA-N 1 0 175.275 2.510 10 0 AFAERO C[NH2+][C@@H]1C[C@@H](C)Cc2ccccc21 82618101 168043719 /nfs/dbraw/zinc/04/37/19/168043719.db2.gz ANAPPCVPXACWSL-JOYOIKCWSA-N 1 0 175.275 2.529 10 0 AFAERO C[NH2+][C@@H]1C[C@@H](C)CC[C@H]1C(C)C 35708329 168043753 /nfs/dbraw/zinc/04/37/53/168043753.db2.gz IEFRHCAMWZOENL-GARJFASQSA-N 1 0 169.312 2.667 10 0 AFAERO C[NH2+][C@@H]1CCc2c1ccc(C)c2C 43315313 168043772 /nfs/dbraw/zinc/04/37/72/168043772.db2.gz XBQIJYNSTZZAGP-GFCCVEGCSA-N 1 0 175.275 2.510 10 0 AFAERO C[NH2+][C@@H]1C[C@H](C)Sc2ccccc21 35761894 168044009 /nfs/dbraw/zinc/04/40/09/168044009.db2.gz CODYVIWAQOLVBN-WCBMZHEXSA-N 1 0 193.315 2.831 10 0 AFAERO C[NH2+][C@@H]1CC[C@H](c2ccccc2C)C1 70640358 168044108 /nfs/dbraw/zinc/04/41/08/168044108.db2.gz PDDBZQUQKXRGPJ-NWDGAFQWSA-N 1 0 189.302 2.851 10 0 AFAERO C[NH2+][C@@H]1CC[C@H](c2ccc(C)cc2)C1 70640432 168044110 /nfs/dbraw/zinc/04/41/10/168044110.db2.gz FPIDUOSAWDLWFV-QWHCGFSZSA-N 1 0 189.302 2.851 10 0 AFAERO C[NH2+][C@@H]1CC[C@H](c2ccc(F)cc2)C1 70640138 168044129 /nfs/dbraw/zinc/04/41/29/168044129.db2.gz UZQXHOFXYKGYHE-CMPLNLGQSA-N 1 0 193.265 2.681 10 0 AFAERO C[NH2+][C@@H]1c2cc(F)ccc2S[C@H]1C 43635898 168044576 /nfs/dbraw/zinc/04/45/76/168044576.db2.gz DQFORTCNKPDDQQ-WKEGUHRASA-N 1 0 197.278 2.580 10 0 AFAERO C[NH2+][C@@H]1c2cc(F)ccc2S[C@@H]1C 43635896 168044615 /nfs/dbraw/zinc/04/46/15/168044615.db2.gz 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C[NH2+][C@@H]1c2cccc(C)c2S[C@H]1C 43636193 168045872 /nfs/dbraw/zinc/04/58/72/168045872.db2.gz PAMNODFSHYUMMX-WPRPVWTQSA-N 1 0 193.315 2.750 10 0 AFAERO C[NH2+][C@@H]1c2cc(C)ccc2S[C@H]1C 43635867 168045994 /nfs/dbraw/zinc/04/59/94/168045994.db2.gz REEIJDMWQKNEEK-KWQFWETISA-N 1 0 193.315 2.750 10 0 AFAERO C[NH2+][C@@H]1c2ccccc2CC[C@@H]1C 43649156 168046004 /nfs/dbraw/zinc/04/60/04/168046004.db2.gz SUNCNIVBMRTPPO-CABZTGNLSA-N 1 0 175.275 2.529 10 0 AFAERO C[NH2+][C@@H]1c2cccc(F)c2S[C@H]1C 43635957 168046063 /nfs/dbraw/zinc/04/60/63/168046063.db2.gz DHVOGOVNGNPSBG-RCOVLWMOSA-N 1 0 197.278 2.580 10 0 AFAERO C[NH2+][C@@]1(C)CCCc2ccccc2C1 5736240 168046279 /nfs/dbraw/zinc/04/62/79/168046279.db2.gz AGFAUPFRODFMDX-ZDUSSCGKSA-N 1 0 189.302 2.544 10 0 AFAERO C[NH2+][C@@H]1c2ccccc2SC[C@@H]1C 35761874 168046321 /nfs/dbraw/zinc/04/63/21/168046321.db2.gz WJCFXFWEOYJKMI-KWQFWETISA-N 1 0 193.315 2.689 10 0 AFAERO C[NH2+][C@@H]1c2ccccc2SC[C@H]1C 35761873 168046328 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2.567 10 0 AFAERO C[NH2+][C@H](c1ccc(F)cc1F)C1CC1 35491965 168056327 /nfs/dbraw/zinc/05/63/27/168056327.db2.gz UOAVZQKPGIBTTR-NSHDSACASA-N 1 0 197.228 2.635 10 0 AFAERO C[NH2+][C@H](c1ccco1)C(C)(C)C 44467222 168056344 /nfs/dbraw/zinc/05/63/44/168056344.db2.gz KETWPXFEYGDDIP-SECBINFHSA-N 1 0 167.252 2.586 10 0 AFAERO C[NH2+][C@H]1CCCc2c(F)cc(F)cc21 54742631 168056527 /nfs/dbraw/zinc/05/65/27/168056527.db2.gz LSRYTFIUFRWVTB-NSHDSACASA-N 1 0 197.228 2.562 10 0 AFAERO C[NH2+][C@H]1CCC[C@@H]1c1cccs1 60716063 168056562 /nfs/dbraw/zinc/05/65/62/168056562.db2.gz FSWXQMVWPVWOLQ-IUCAKERBSA-N 1 0 181.304 2.604 10 0 AFAERO C[NH2+][C@H]1CCC[C@@H]1c1cccc(F)c1 60715952 168056627 /nfs/dbraw/zinc/05/66/27/168056627.db2.gz QGYIMSFANQZYPP-NEPJUHHUSA-N 1 0 193.265 2.681 10 0 AFAERO C[NH2+][C@H]1CCC[C@H]1c1ccccc1F 60716006 168056628 /nfs/dbraw/zinc/05/66/28/168056628.db2.gz ZGAHFLRWADJIDK-JQWIXIFHSA-N 1 0 193.265 2.681 10 0 AFAERO C[NH2+][C@H]1CCC[C@@H]1c1ccccc1F 60716004 168056704 /nfs/dbraw/zinc/05/67/04/168056704.db2.gz ZGAHFLRWADJIDK-PWSUYJOCSA-N 1 0 193.265 2.681 10 0 AFAERO C[NH2+][C@H]1CCC[C@@H]1Cc1ccsc1 42398267 168056794 /nfs/dbraw/zinc/05/67/94/168056794.db2.gz JXCHOPIQWLOWOR-MNOVXSKESA-N 1 0 195.331 2.679 10 0 AFAERO C[NH2+][C@H]1CCC[C@H]1CCC(C)C 42398544 168056829 /nfs/dbraw/zinc/05/68/29/168056829.db2.gz KFHMYUWOGKWKSM-QWRGUYRKSA-N 1 0 169.312 2.811 10 0 AFAERO C[NH2+][C@H]1CCC[C@@H]1CCC(C)C 42398549 168056866 /nfs/dbraw/zinc/05/68/66/168056866.db2.gz KFHMYUWOGKWKSM-MNOVXSKESA-N 1 0 169.312 2.811 10 0 AFAERO C[NH2+][C@H]1CCCc2ccc(C)cc21 54741927 168056972 /nfs/dbraw/zinc/05/69/72/168056972.db2.gz LBQMLZADZRQBMH-LBPRGKRZSA-N 1 0 175.275 2.592 10 0 AFAERO C[NH2+][C@H]1CCCC[C@H]1CCOC(C)C 49260443 168057038 /nfs/dbraw/zinc/05/70/38/168057038.db2.gz MNVSMZPQRYYHTD-RYUDHWBXSA-N 1 0 199.338 2.580 10 0 AFAERO C[NH2+][C@H]1CCCC[C@H]1CC(C)C 42402380 168057043 /nfs/dbraw/zinc/05/70/43/168057043.db2.gz OLUKSUIFXIUOFH-QWRGUYRKSA-N 1 0 169.312 2.811 10 0 AFAERO C[NH2+][C@H]1CCC[C@H]1Cc1ccsc1 42398275 168057069 /nfs/dbraw/zinc/05/70/69/168057069.db2.gz JXCHOPIQWLOWOR-QWRGUYRKSA-N 1 0 195.331 2.679 10 0 AFAERO C[NH2+][C@H]1CCC[C@@H]1Cc1cccs1 42398838 168057132 /nfs/dbraw/zinc/05/71/32/168057132.db2.gz XQLPHJPWIDACEV-KOLCDFICSA-N 1 0 195.331 2.679 10 0 AFAERO C[NH2+][C@H]1CCC[C@H]1OCCCC(C)C 44096784 168057235 /nfs/dbraw/zinc/05/72/35/168057235.db2.gz LTUUKQGAIGULBT-NWDGAFQWSA-N 1 0 199.338 2.580 10 0 AFAERO C[NH2+][C@H]1CCC[C@@H]1O[C@@H](C)CC(C)C 49894894 168057288 /nfs/dbraw/zinc/05/72/88/168057288.db2.gz FZQIWKKXOXUDEM-SRVKXCTJSA-N 1 0 199.338 2.578 10 0 AFAERO C[NH2+][C@H]1CCCSc2ccccc21 35761851 168057302 /nfs/dbraw/zinc/05/73/02/168057302.db2.gz ABVCQWVYWFRTPF-JTQLQIEISA-N 1 0 193.315 2.833 10 0 AFAERO C[NH2+][C@H]1CCC[C@@H]1OCCCC(C)C 44096787 168057420 /nfs/dbraw/zinc/05/74/20/168057420.db2.gz LTUUKQGAIGULBT-RYUDHWBXSA-N 1 0 199.338 2.580 10 0 AFAERO C[NH2+][C@H]1CCCC[C@H]1OCCC(C)C 44061901 168057426 /nfs/dbraw/zinc/05/74/26/168057426.db2.gz GPJZGOMPXDERQH-NWDGAFQWSA-N 1 0 199.338 2.580 10 0 AFAERO C[NH2+][C@H]1CCC[C@@H]1C1CCCC1 60715901 168057733 /nfs/dbraw/zinc/05/77/33/168057733.db2.gz BTUQFFWFHINJJW-MNOVXSKESA-N 1 0 167.296 2.565 10 0 AFAERO C[NH2+][C@H]1CCC[C@H]1O[C@@H](C)CC(C)C 49894890 168057804 /nfs/dbraw/zinc/05/78/04/168057804.db2.gz FZQIWKKXOXUDEM-SDDRHHMPSA-N 1 0 199.338 2.578 10 0 AFAERO C[NH2+][C@H]1CCCC[C@H]1Cc1ccco1 59382781 168057954 /nfs/dbraw/zinc/05/79/54/168057954.db2.gz ZKROMCVNKIXGQF-JQWIXIFHSA-N 1 0 193.290 2.600 10 0 AFAERO C[NH2+][C@H]1CCCc2c(F)ccc(F)c21 54742737 168057992 /nfs/dbraw/zinc/05/79/92/168057992.db2.gz QWIVZGLZKYZJMG-JTQLQIEISA-N 1 0 197.228 2.562 10 0 AFAERO C[NH2+][C@H]1CCC[C@H]1CC1CCCC1 48770175 168058013 /nfs/dbraw/zinc/05/80/13/168058013.db2.gz CNJLCVNCKCNBHB-RYUDHWBXSA-N 1 0 181.323 2.955 10 0 AFAERO C[NH2+][C@H]1CCC[C@H]1Cc1cccs1 42398844 168058030 /nfs/dbraw/zinc/05/80/30/168058030.db2.gz XQLPHJPWIDACEV-ONGXEEELSA-N 1 0 195.331 2.679 10 0 AFAERO C[NH2+][C@H]1CCC[C@H]1c1cccs1 60716066 168058067 /nfs/dbraw/zinc/05/80/67/168058067.db2.gz FSWXQMVWPVWOLQ-BDAKNGLRSA-N 1 0 181.304 2.604 10 0 AFAERO C[NH2+][C@H]1CCC[C@H]1c1ccc(F)cc1 60715931 168058156 /nfs/dbraw/zinc/05/81/56/168058156.db2.gz KLPFTDBNWAMYGC-RYUDHWBXSA-N 1 0 193.265 2.681 10 0 AFAERO C[NH2+][C@H]1CCC[C@@H]1c1ccc(F)cc1 60715927 168058228 /nfs/dbraw/zinc/05/82/28/168058228.db2.gz KLPFTDBNWAMYGC-NEPJUHHUSA-N 1 0 193.265 2.681 10 0 AFAERO C[NH2+][C@H]1CCC[C@H]1c1cccc(F)c1 60715955 168058247 /nfs/dbraw/zinc/05/82/47/168058247.db2.gz QGYIMSFANQZYPP-RYUDHWBXSA-N 1 0 193.265 2.681 10 0 AFAERO C[NH2+][C@H]1CCCC[C@H]1c1cccs1 60715274 168058250 /nfs/dbraw/zinc/05/82/50/168058250.db2.gz FTECIROYEUAGEY-ZJUUUORDSA-N 1 0 195.331 2.994 10 0 AFAERO C[NH2+][C@H]1CCC[C@@H]1CC1CCCC1 48770171 168058251 /nfs/dbraw/zinc/05/82/51/168058251.db2.gz CNJLCVNCKCNBHB-NEPJUHHUSA-N 1 0 181.323 2.955 10 0 AFAERO C[NH2+][C@H]1CCCCc2ccccc21 22141814 168058409 /nfs/dbraw/zinc/05/84/09/168058409.db2.gz GQZSUECFHDDLGK-LBPRGKRZSA-N 1 0 175.275 2.674 10 0 AFAERO C[NH2+][C@H]1CCCC[C@H]1C(C)(C)C 21953937 168058435 /nfs/dbraw/zinc/05/84/35/168058435.db2.gz SOILFMDUSFAEJV-ZJUUUORDSA-N 1 0 169.312 2.811 10 0 AFAERO C[NH2+][C@H]1CCC[C@H]1C1CCCC1 60715906 168058441 /nfs/dbraw/zinc/05/84/41/168058441.db2.gz BTUQFFWFHINJJW-QWRGUYRKSA-N 1 0 167.296 2.565 10 0 AFAERO C[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 70640068 168058602 /nfs/dbraw/zinc/05/86/02/168058602.db2.gz PFHBNCSOOUEGKQ-NEPJUHHUSA-N 1 0 175.275 2.542 10 0 AFAERO C[NH2+][C@H]1C[C@@H](C)CC[C@@H]1C(C)C 21964705 168058638 /nfs/dbraw/zinc/05/86/38/168058638.db2.gz IEFRHCAMWZOENL-AXFHLTTASA-N 1 0 169.312 2.667 10 0 AFAERO C[NH2+][C@H]1CC[C@H](c2ccccc2F)C1 70640369 168058645 /nfs/dbraw/zinc/05/86/45/168058645.db2.gz VEYJYQWETQUFKE-UWVGGRQHSA-N 1 0 193.265 2.681 10 0 AFAERO C[NH2+][C@H]1C[C@H](C)CC[C@@H]1C(C)C 21964714 168058712 /nfs/dbraw/zinc/05/87/12/168058712.db2.gz IEFRHCAMWZOENL-MXWKQRLJSA-N 1 0 169.312 2.667 10 0 AFAERO C[NH2+][C@H]1C[C@H]2CCCc3cccc1c32 82618167 168058800 /nfs/dbraw/zinc/05/88/00/168058800.db2.gz KIWPFXPVGWSGRO-PWSUYJOCSA-N 1 0 187.286 2.771 10 0 AFAERO C[NH2+][C@H]1C[C@@H](C)Cc2ccccc21 82618103 168058829 /nfs/dbraw/zinc/05/88/29/168058829.db2.gz ANAPPCVPXACWSL-CABZTGNLSA-N 1 0 175.275 2.529 10 0 AFAERO C[NH2+][C@H]1C[C@H](C)Cc2ccccc21 82618102 168058833 /nfs/dbraw/zinc/05/88/33/168058833.db2.gz ANAPPCVPXACWSL-SKDRFNHKSA-N 1 0 175.275 2.529 10 0 AFAERO C[NH2+][C@H]1C[C@@H](C)CCc2ccccc21 61831694 168058852 /nfs/dbraw/zinc/05/88/52/168058852.db2.gz UDPIFPQBJWNIBB-GWCFXTLKSA-N 1 0 189.302 2.920 10 0 AFAERO C[NH2+][C@H]1CC[C@H](c2cccc(F)c2)C1 70640340 168058870 /nfs/dbraw/zinc/05/88/70/168058870.db2.gz HHMKARCMSRLHCF-JQWIXIFHSA-N 1 0 193.265 2.681 10 0 AFAERO C[NH2+][C@H]1CCc2cc(Cl)ccc21 83574195 168058876 /nfs/dbraw/zinc/05/88/76/168058876.db2.gz APDDSOKAUAEGIG-JTQLQIEISA-N 1 0 181.666 2.547 10 0 AFAERO C[NH2+][C@H]1C[C@@H]2CCCc3cccc1c32 82618165 168058943 /nfs/dbraw/zinc/05/89/43/168058943.db2.gz KIWPFXPVGWSGRO-JQWIXIFHSA-N 1 0 187.286 2.771 10 0 AFAERO C[NH2+][C@H]1CC[C@@H](c2ccc(F)cc2)C1 70640144 168058950 /nfs/dbraw/zinc/05/89/50/168058950.db2.gz UZQXHOFXYKGYHE-PWSUYJOCSA-N 1 0 193.265 2.681 10 0 AFAERO C[NH2+][C@H]1C[C@H](C)CCc2ccccc21 61831693 168059003 /nfs/dbraw/zinc/05/90/03/168059003.db2.gz UDPIFPQBJWNIBB-MFKMUULPSA-N 1 0 189.302 2.920 10 0 AFAERO C[NH2+][C@H]1CCSc2ccc(C)cc21 35761500 168059004 /nfs/dbraw/zinc/05/90/04/168059004.db2.gz BZHZZOBAAZPRGG-JTQLQIEISA-N 1 0 193.315 2.751 10 0 AFAERO C[NH2+][C@H]1CCSc2ccc(F)cc21 35761896 168059010 /nfs/dbraw/zinc/05/90/10/168059010.db2.gz JRNLZPXFBIHSLJ-VIFPVBQESA-N 1 0 197.278 2.582 10 0 AFAERO C[NH2+][C@H]1CC[C@@H](c2cccc(C)c2)C1 70640290 168059110 /nfs/dbraw/zinc/05/91/10/168059110.db2.gz NKUGDZBDCCNZIC-OLZOCXBDSA-N 1 0 189.302 2.851 10 0 AFAERO C[NH2+][C@H]1CCc2c(C)ccc(C)c21 49670120 168059159 /nfs/dbraw/zinc/05/91/59/168059159.db2.gz TUPYHLGUNKZWAQ-NSHDSACASA-N 1 0 175.275 2.510 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/nfs/dbraw/zinc/33/77/83/168337783.db2.gz XRESZACIXVFOKM-JTQLQIEISA-N 1 0 199.338 2.722 10 0 AFAERO C[C@@H](CC[NH3+])C1CCCCCC1 82854778 168338082 /nfs/dbraw/zinc/33/80/82/168338082.db2.gz PJAHUPNSPIMPJB-JTQLQIEISA-N 1 0 169.312 2.942 10 0 AFAERO C[C@@H](CC[NH3+])C1CCCCC1 34427847 168338259 /nfs/dbraw/zinc/33/82/59/168338259.db2.gz LVOJPLUEOINCFY-VIFPVBQESA-N 1 0 155.285 2.552 10 0 AFAERO C[C@@H](CC[NH3+])c1ccc(Cl)s1 41204935 168338578 /nfs/dbraw/zinc/33/85/78/168338578.db2.gz MUSZUWRJUCALFB-LURJTMIESA-N 1 0 189.711 2.854 10 0 AFAERO C[C@H]1CC=C([NH+]2CCCC2)CC1 135635680 343966592 /nfs/dbraw/zinc/96/65/92/343966592.db2.gz YABVEIMEMIADEE-JTQLQIEISA-N 1 0 165.280 2.786 10 0 AFAERO C[C@@H](CC[NH3+])Sc1ccc(F)cc1 41042945 168338664 /nfs/dbraw/zinc/33/86/64/168338664.db2.gz FBQDKESWCQXRBO-QMMMGPOBSA-N 1 0 199.294 2.655 10 0 AFAERO C[C@@H](CC[NH3+])c1cccc(Cl)c1 41202518 168338789 /nfs/dbraw/zinc/33/87/89/168338789.db2.gz DKPPEDKATRTMDP-QMMMGPOBSA-N 1 0 183.682 2.792 10 0 AFAERO 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168343490 /nfs/dbraw/zinc/34/34/90/168343490.db2.gz ZVABNOFIYMNNTD-ZCFIWIBFSA-N 1 0 189.711 2.539 10 0 AFAERO C[C@@H](C[NH3+])CSc1ccc(F)cc1 35723554 168343784 /nfs/dbraw/zinc/34/37/84/168343784.db2.gz GIBHJYFDUSBFSD-QMMMGPOBSA-N 1 0 199.294 2.513 10 0 AFAERO C[C@@H](C[NH3+])CC1CCCCC1 52946709 168343917 /nfs/dbraw/zinc/34/39/17/168343917.db2.gz RIGVMMURYISEFJ-SECBINFHSA-N 1 0 155.285 2.552 10 0 AFAERO C[C@@H](C[NH3+])CCc1ccc(Cl)cc1 11631463 168343949 /nfs/dbraw/zinc/34/39/49/168343949.db2.gz IENLJXLGOBDLQG-SECBINFHSA-N 1 0 197.709 2.867 10 0 AFAERO C[C@@H](C[NH3+])CSc1ccccc1F 35723113 168343953 /nfs/dbraw/zinc/34/39/53/168343953.db2.gz TXXFEJYLDCPZBN-QMMMGPOBSA-N 1 0 199.294 2.513 10 0 AFAERO C[C@@H](C[NH3+])c1cc2cccc(F)c2o1 82892263 168344758 /nfs/dbraw/zinc/34/47/58/168344758.db2.gz KUHXPHYYERCLAN-ZETCQYMHSA-N 1 0 193.221 2.634 10 0 AFAERO C[C@@H](C[NH3+])c1cc(F)ccc1Cl 96864976 168345264 /nfs/dbraw/zinc/34/52/64/168345264.db2.gz QFVFDDRDUVLUND-LURJTMIESA-N 1 0 187.645 2.541 10 0 AFAERO C[C@@H](C[NH3+])c1ccc(Cl)c(F)c1 82391532 168345710 /nfs/dbraw/zinc/34/57/10/168345710.db2.gz SGVAJDNARBMVHW-LURJTMIESA-N 1 0 187.645 2.541 10 0 AFAERO C[C@@H](C[NH3+])c1cc2cc(F)ccc2o1 82892253 168345723 /nfs/dbraw/zinc/34/57/23/168345723.db2.gz NJHNHIMBWDDBCM-ZETCQYMHSA-N 1 0 193.221 2.634 10 0 AFAERO C[C@@H](C[NH3+])c1cc(Cl)ccc1F 82588156 168345904 /nfs/dbraw/zinc/34/59/04/168345904.db2.gz PSWFASMXNVMFNQ-LURJTMIESA-N 1 0 187.645 2.541 10 0 AFAERO C[C@@H](C[NH3+])c1ccc2c(c1)CCCC2 19726061 168346301 /nfs/dbraw/zinc/34/63/01/168346301.db2.gz MNQSAWWYUYQWAM-JTQLQIEISA-N 1 0 189.302 2.628 10 0 AFAERO C[C@@H](C[N@@H+]1CC[C@@H](C)C1)C(F)(F)F 306512943 168346369 /nfs/dbraw/zinc/34/63/69/168346369.db2.gz RFFKNNPJSALGAA-SFYZADRCSA-N 1 0 195.228 2.527 10 0 AFAERO C[C@@H](C[NH3+])c1cccc2ccccc12 5064608 168346491 /nfs/dbraw/zinc/34/64/91/168346491.db2.gz KHUQUPPTRUPPMC-JTQLQIEISA-N 1 0 185.270 2.902 10 0 AFAERO C[C@@H](C[NH3+])c1nc(C(C)(C)C)cs1 11883529 168346900 /nfs/dbraw/zinc/34/69/00/168346900.db2.gz DITUVFUSAGSBDI-ZETCQYMHSA-N 1 0 198.335 2.503 10 0 AFAERO C[C@@H](C[NH3+])c1ccc2ccccc2c1 2017427 168346933 /nfs/dbraw/zinc/34/69/33/168346933.db2.gz NBZVFBYLIGGNTN-JTQLQIEISA-N 1 0 185.270 2.902 10 0 AFAERO C[C@@H](C[NH+]1CCCCC1)C(F)(F)F 307691302 168346976 /nfs/dbraw/zinc/34/69/76/168346976.db2.gz IUMIVIZRGVJCLD-QMMMGPOBSA-N 1 0 195.228 2.671 10 0 AFAERO C[C@@H](C[NH3+])c1csc(C(C)(C)C)n1 83282932 168347031 /nfs/dbraw/zinc/34/70/31/168347031.db2.gz AGIIYXCENOIOSF-ZETCQYMHSA-N 1 0 198.335 2.503 10 0 AFAERO C[C@@H](C[N@@H+]1CCC[C@H]1C)C(F)(F)F 306502377 168347282 /nfs/dbraw/zinc/34/72/82/168347282.db2.gz OLQYESXSZWFMND-JGVFFNPUSA-N 1 0 195.228 2.669 10 0 AFAERO C[C@@H](C[NH+]1CCCCC1)n1cccc1 49502436 168347411 /nfs/dbraw/zinc/34/74/11/168347411.db2.gz VAAGWVXTVDZISC-LBPRGKRZSA-N 1 0 192.306 2.535 10 0 AFAERO C[C@@H](Cc1ccc(Cl)cc1)[C@@H](C)[NH3+] 37947458 168352136 /nfs/dbraw/zinc/35/21/36/168352136.db2.gz ZJFWIABRBLDURN-DTWKUNHWSA-N 1 0 197.709 2.866 10 0 AFAERO C[C@@H](C[C@H]1CCC[NH2+]1)c1ccccc1 82882070 168352322 /nfs/dbraw/zinc/35/23/22/168352322.db2.gz FKDGPQHXNGGEOH-WCQYABFASA-N 1 0 189.302 2.932 10 0 AFAERO C[C@@H](C[C@@H]1CCC[NH2+]1)c1ccccc1 82882066 168352382 /nfs/dbraw/zinc/35/23/82/168352382.db2.gz FKDGPQHXNGGEOH-AAEUAGOBSA-N 1 0 189.302 2.932 10 0 AFAERO C[C@@H](C[C@@H](C)[NH3+])c1ccccc1 44410479 168353207 /nfs/dbraw/zinc/35/32/07/168353207.db2.gz ZKDCHJYTHMVEGO-VHSXEESVSA-N 1 0 163.264 2.527 10 0 AFAERO C[C@@H](Cc1ccccc1Cl)[C@@H](C)[NH3+] 37947470 168353963 /nfs/dbraw/zinc/35/39/63/168353963.db2.gz NCLNCTFOPQBQMW-DTWKUNHWSA-N 1 0 197.709 2.866 10 0 AFAERO C[C@@H](Cc1cccc(Cl)c1)[C@@H](C)[NH3+] 37947462 168354505 /nfs/dbraw/zinc/35/45/05/168354505.db2.gz FVCBYDRSMNOCPW-DTWKUNHWSA-N 1 0 197.709 2.866 10 0 AFAERO C[C@@H](Cc1ccco1)[NH2+][C@H]1CC1(C)C 62772073 168354837 /nfs/dbraw/zinc/35/48/37/168354837.db2.gz GLHVIHZDCRPPJE-ONGXEEELSA-N 1 0 193.290 2.599 10 0 AFAERO C[C@@H](Cc1ccccc1)[NH2+]CC1CC1 26028676 168354841 /nfs/dbraw/zinc/35/48/41/168354841.db2.gz BYCDOXVZUHPDPT-NSHDSACASA-N 1 0 189.302 2.617 10 0 AFAERO C[C@@H](Cc1ccco1)[NH2+][C@@H]1CC1(C)C 62772071 168354977 /nfs/dbraw/zinc/35/49/77/168354977.db2.gz GLHVIHZDCRPPJE-GXSJLCMTSA-N 1 0 193.290 2.599 10 0 AFAERO C[C@@H]([NH3+])/C=C/c1cccc(Cl)c1 83592660 168356708 /nfs/dbraw/zinc/35/67/08/168356708.db2.gz COJXGJCVOXHDNA-HQZHTGGTSA-N 1 0 181.666 2.700 10 0 AFAERO C[C@@H]([NH3+])/C=C/c1ccccc1Cl 83592236 168359309 /nfs/dbraw/zinc/35/93/09/168359309.db2.gz DNFWVLMORFQJJN-HYDMIIDASA-N 1 0 181.666 2.700 10 0 AFAERO C[C@@H]([NH3+])/C=C\c1ccc(Cl)cc1 83592239 168359470 /nfs/dbraw/zinc/35/94/70/168359470.db2.gz XTGRSNOKWGAPPK-YAJNLLPGSA-N 1 0 181.666 2.700 10 0 AFAERO C[C@@H]([NH3+])CC1CCCCCC1 44463371 168359833 /nfs/dbraw/zinc/35/98/33/168359833.db2.gz HIKHEESOCBLWLV-SECBINFHSA-N 1 0 155.285 2.694 10 0 AFAERO C[C@@H]([NH3+])CC(C)(C)C(C)(C)C 17413415 168360114 /nfs/dbraw/zinc/36/01/14/168360114.db2.gz NYPWQQYJDKNTAH-MRVPVSSYSA-N 1 0 157.301 2.796 10 0 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DUODLVSFPZAALJ-SECBINFHSA-N 1 0 181.304 2.516 10 0 AFAERO C[C@@H]([NH3+])CCCOC1CCCCCC1 45618616 168361901 /nfs/dbraw/zinc/36/19/01/168361901.db2.gz PQNZHJYRHACDDJ-LLVKDONJSA-N 1 0 199.338 2.853 10 0 AFAERO C[C@@H]([NH3+])CCCSc1ccccc1 39039259 168361927 /nfs/dbraw/zinc/36/19/27/168361927.db2.gz FWDNOGJYBSNRHC-SNVBAGLBSA-N 1 0 195.331 2.906 10 0 AFAERO C[C@@H]([NH3+])CCCCOC1CCCCC1 45604722 168362350 /nfs/dbraw/zinc/36/23/50/168362350.db2.gz KJAUCMBRCZJRIW-LLVKDONJSA-N 1 0 199.338 2.853 10 0 AFAERO C[C@@H]([NH3+])CCCOCC1CCCCC1 52151962 168362365 /nfs/dbraw/zinc/36/23/65/168362365.db2.gz BFSCAZNWZIOIIV-LLVKDONJSA-N 1 0 199.338 2.711 10 0 AFAERO C[C@@H]([NH3+])CCCO[C@@H]1CCC[C@@H](C)C1 45617945 168362405 /nfs/dbraw/zinc/36/24/05/168362405.db2.gz JGAQEISNBFUZSH-IJLUTSLNSA-N 1 0 199.338 2.709 10 0 AFAERO C[C@@H]([NH3+])CCCCOc1ccccc1 45615748 168363440 /nfs/dbraw/zinc/36/34/40/168363440.db2.gz HBVFRWBSMYDDHV-LLVKDONJSA-N 1 0 193.290 2.583 10 0 AFAERO C[C@@H]([NH3+])CCc1ccc(Cl)s1 36988292 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2.638 10 0 AFAERO [NH3+]Cc1csc(C2CCCCC2)n1 40999546 169228575 /nfs/dbraw/zinc/22/85/75/169228575.db2.gz JNECHQKVQOQDRX-UHFFFAOYSA-N 1 0 196.319 2.650 10 0 AFAERO [NH3+]Cc1cscc1-c1cccs1 82530963 169229180 /nfs/dbraw/zinc/22/91/80/169229180.db2.gz AWWPPQPVHKYLJK-UHFFFAOYSA-N 1 0 195.312 2.935 10 0 AFAERO [NH3+]Cc1csc(Cl)c1Cl 83255589 169229578 /nfs/dbraw/zinc/22/95/78/169229578.db2.gz BBKXDRKJLXXFKG-UHFFFAOYSA-N 1 0 182.075 2.514 10 0 AFAERO [NH3+]Cc1nc(C2CCCCC2)cs1 3710560 169229860 /nfs/dbraw/zinc/22/98/60/169229860.db2.gz QGSBVFVHEICYIU-UHFFFAOYSA-N 1 0 196.319 2.650 10 0 AFAERO [NH3+]Cc1ncoc1C1CCCCCC1 82637316 169231446 /nfs/dbraw/zinc/23/14/46/169231446.db2.gz SFVMUONWTYWIPA-UHFFFAOYSA-N 1 0 194.278 2.571 10 0 AFAERO [NH3+]Cc1occc1-c1cccc(F)c1 82636570 169232265 /nfs/dbraw/zinc/23/22/65/169232265.db2.gz KBVDEXCRPHFTDK-UHFFFAOYSA-N 1 0 191.205 2.544 10 0 AFAERO [NH3+]Cc1sccc1OC1CCCC1 31978534 169233007 /nfs/dbraw/zinc/23/30/07/169233007.db2.gz VOQJMUTTYSUABQ-UHFFFAOYSA-N 1 0 197.303 2.528 10 0 AFAERO [NH3+]Cc1oc2ccccc2c1C1CC1 77068317 169233062 /nfs/dbraw/zinc/23/30/62/169233062.db2.gz HNAYABSMZMSYDV-UHFFFAOYSA-N 1 0 187.242 2.769 10 0 AFAERO [NH3+][C@@H](C1=CCCCC1)c1cccnc1 50325678 169242939 /nfs/dbraw/zinc/24/29/39/169242939.db2.gz JTQPPEYXRSPTKV-LBPRGKRZSA-N 1 0 188.274 2.582 10 0 AFAERO [NH3+][C@@H](C1=CCCCC1)c1ccco1 50325506 169242972 /nfs/dbraw/zinc/24/29/72/169242972.db2.gz ZXVTZVXTLVKLNQ-NSHDSACASA-N 1 0 177.247 2.780 10 0 AFAERO [NH3+][C@@H](C1=CCCCC1)c1cscn1 62356881 169242992 /nfs/dbraw/zinc/24/29/92/169242992.db2.gz RZPNQSODGYMVPU-JTQLQIEISA-N 1 0 194.303 2.643 10 0 AFAERO [NH3+][C@@H](CC1CC1)c1ccc(F)cc1F 49729319 169242996 /nfs/dbraw/zinc/24/29/96/169242996.db2.gz SBHLMTVDISUZTB-NSHDSACASA-N 1 0 197.228 2.765 10 0 AFAERO [NH3+][C@@H](CC1CCCC1)c1ccncc1 53817205 169243054 /nfs/dbraw/zinc/24/30/54/169243054.db2.gz WTWVMGZDEZZHLN-LBPRGKRZSA-N 1 0 190.290 2.662 10 0 AFAERO [NH3+][C@@H](C1=CCCCC1)c1ccncc1 50325687 169243055 /nfs/dbraw/zinc/24/30/55/169243055.db2.gz YTEYCXOKIJINSM-LBPRGKRZSA-N 1 0 188.274 2.582 10 0 AFAERO [NH3+][C@@H](C1=CCCC1)C1CCCC1 50327008 169243080 /nfs/dbraw/zinc/24/30/80/169243080.db2.gz ZSCNGYFRBQAQSF-NSHDSACASA-N 1 0 165.280 2.614 10 0 AFAERO [NH3+][C@@H](CC1CC1)c1cc(F)ccc1F 49729326 169243109 /nfs/dbraw/zinc/24/31/09/169243109.db2.gz MBCVDVJJRAGKIS-NSHDSACASA-N 1 0 197.228 2.765 10 0 AFAERO [NH3+][C@@H](C1=CCCC1)c1ccsc1 50326916 169243241 /nfs/dbraw/zinc/24/32/41/169243241.db2.gz LIIIQWLAZBYFPX-JTQLQIEISA-N 1 0 179.288 2.858 10 0 AFAERO [NH3+][C@@H](CC1CC1)c1cccs1 49729245 169243335 /nfs/dbraw/zinc/24/33/35/169243335.db2.gz XVTUUEPOHSZDHY-QMMMGPOBSA-N 1 0 167.277 2.548 10 0 AFAERO [NH3+][C@@H](C1=CCCC1)c1ccc(F)cc1 50327108 169243357 /nfs/dbraw/zinc/24/33/57/169243357.db2.gz XLGDGOVDCBMOEL-LBPRGKRZSA-N 1 0 191.249 2.936 10 0 AFAERO [NH3+][C@@H](C1=CCCCC1)C1CCC1 50325645 169243367 /nfs/dbraw/zinc/24/33/67/169243367.db2.gz SGKINJYQJZKVER-NSHDSACASA-N 1 0 165.280 2.614 10 0 AFAERO [NH3+][C@@H](CC1CC1)C1=CCCCC1 50325563 169243487 /nfs/dbraw/zinc/24/34/87/169243487.db2.gz KRZDIOIDBAAPIV-NSHDSACASA-N 1 0 165.280 2.614 10 0 AFAERO [NH3+][C@@H](C1=CCCC1)c1ccccc1F 50327148 169243529 /nfs/dbraw/zinc/24/35/29/169243529.db2.gz HDSMBUXBSWZVAG-LBPRGKRZSA-N 1 0 191.249 2.936 10 0 AFAERO [NH3+][C@@H](CC1CCCC1)CC1CC1 82402304 169243569 /nfs/dbraw/zinc/24/35/69/169243569.db2.gz NXNLNGXAPDPCRV-NSHDSACASA-N 1 0 167.296 2.694 10 0 AFAERO [NH3+][C@@H](C1=CCCCCC1)C1CC1 50328278 169243618 /nfs/dbraw/zinc/24/36/18/169243618.db2.gz XKMVWINCLBLQOD-NSHDSACASA-N 1 0 165.280 2.614 10 0 AFAERO [NH3+][C@@H](CC1CCCC1)c1ccccn1 53817039 169243698 /nfs/dbraw/zinc/24/36/98/169243698.db2.gz KQUMQQRLJGJAMK-NSHDSACASA-N 1 0 190.290 2.662 10 0 AFAERO [NH3+][C@@H](CC1CCCCC1)C1CC1 53819021 169243720 /nfs/dbraw/zinc/24/37/20/169243720.db2.gz CGEMYTHGZFKKDS-NSHDSACASA-N 1 0 167.296 2.694 10 0 AFAERO [NH3+][C@@H](CC1CCCC1)c1ccco1 43607147 169243766 /nfs/dbraw/zinc/24/37/66/169243766.db2.gz DXNRARJOESFWIK-JTQLQIEISA-N 1 0 179.263 2.860 10 0 AFAERO [NH3+][C@@H](C1=CCCC1)c1ccccc1 50327076 169243798 /nfs/dbraw/zinc/24/37/98/169243798.db2.gz DMXXWPNDKUKZJT-GFCCVEGCSA-N 1 0 173.259 2.797 10 0 AFAERO [NH3+][C@@H](C1=CCCCC1)c1ccoc1 50325502 169243853 /nfs/dbraw/zinc/24/38/53/169243853.db2.gz UHQYIZZABNFUIK-NSHDSACASA-N 1 0 177.247 2.780 10 0 AFAERO [NH3+][C@@H](CC1CC1)c1ccc(F)c(F)c1 49729304 169243870 /nfs/dbraw/zinc/24/38/70/169243870.db2.gz JOKKDAMZXOAIPD-NSHDSACASA-N 1 0 197.228 2.765 10 0 AFAERO [NH3+][C@@H](C1=CCCC1)c1cccc(F)c1 50327138 169243878 /nfs/dbraw/zinc/24/38/78/169243878.db2.gz UNWITTDHTCKPFK-LBPRGKRZSA-N 1 0 191.249 2.936 10 0 AFAERO [NH3+][C@@H](C1=CCCC1)c1cccs1 50326894 169243881 /nfs/dbraw/zinc/24/38/81/169243881.db2.gz RRQPIGYZBLZPCU-JTQLQIEISA-N 1 0 179.288 2.858 10 0 AFAERO [NH3+][C@@H](CC1CCCC1)c1cccnc1 53817117 169243897 /nfs/dbraw/zinc/24/38/97/169243897.db2.gz NDWMOOWCGKLQPY-LBPRGKRZSA-N 1 0 190.290 2.662 10 0 AFAERO [NH3+][C@@H](CCCc1ccccc1)C1CC1 32008180 169244832 /nfs/dbraw/zinc/24/48/32/169244832.db2.gz MBYJAVKNBJEVKS-ZDUSSCGKSA-N 1 0 189.302 2.747 10 0 AFAERO [NH3+][C@@H](CCc1ccccc1)CC1CC1 82390744 169245142 /nfs/dbraw/zinc/24/51/42/169245142.db2.gz SKCXYPXRWFQBSZ-ZDUSSCGKSA-N 1 0 189.302 2.747 10 0 AFAERO [NH3+][C@@H](Cc1ccsc1)C1CCCC1 38127615 169247209 /nfs/dbraw/zinc/24/72/09/169247209.db2.gz QECCPYVDFWAQEN-NSHDSACASA-N 1 0 195.331 2.808 10 0 AFAERO [NH3+][C@@H](Cc1ccccc1)c1ccoc1 38127137 169247271 /nfs/dbraw/zinc/24/72/71/169247271.db2.gz YAQHTJPGRTXPJH-LBPRGKRZSA-N 1 0 187.242 2.522 10 0 AFAERO [NH3+][C@@H](Cc1cccs1)c1ccco1 11601706 169247588 /nfs/dbraw/zinc/24/75/88/169247588.db2.gz OVDRAJFFJZKZQT-VIFPVBQESA-N 1 0 193.271 2.584 10 0 AFAERO [NH3+][C@@H](Cc1ccsc1)c1ccco1 38127694 169247857 /nfs/dbraw/zinc/24/78/57/169247857.db2.gz ZJDRGRIVYFHJAY-VIFPVBQESA-N 1 0 193.271 2.584 10 0 AFAERO [NH3+][C@@H](Cc1ccccc1)C1=CCCC1 50326965 169247862 /nfs/dbraw/zinc/24/78/62/169247862.db2.gz NUGDARUBJARJHV-ZDUSSCGKSA-N 1 0 187.286 2.667 10 0 AFAERO [NH3+][C@@H](Cc1ccco1)c1ccccc1 11601519 169247993 /nfs/dbraw/zinc/24/79/93/169247993.db2.gz MJQWVFRXFKYPLN-LBPRGKRZSA-N 1 0 187.242 2.522 10 0 AFAERO [NH3+][C@@H](Cc1cccs1)C1CCCC1 38128587 169248336 /nfs/dbraw/zinc/24/83/36/169248336.db2.gz INMANHBQKSPCEU-NSHDSACASA-N 1 0 195.331 2.808 10 0 AFAERO [NH3+][C@@H](Cc1ccsc1)c1ccoc1 38127692 169248357 /nfs/dbraw/zinc/24/83/57/169248357.db2.gz UUFNIQOQMQJDHB-JTQLQIEISA-N 1 0 193.271 2.584 10 0 AFAERO [NH3+][C@@H](Cc1ccco1)c1cccs1 11601511 169248512 /nfs/dbraw/zinc/24/85/12/169248512.db2.gz GRYPUNXCUYIURA-VIFPVBQESA-N 1 0 193.271 2.584 10 0 AFAERO [NH3+][C@@H](Cc1cccs1)c1ccoc1 38128653 169248550 /nfs/dbraw/zinc/24/85/50/169248550.db2.gz XDOFBUQDBGROCJ-JTQLQIEISA-N 1 0 193.271 2.584 10 0 AFAERO [NH3+][C@@H](Cc1ccccc1)CC1CCC1 1731382 169248616 /nfs/dbraw/zinc/24/86/16/169248616.db2.gz YDUQPFHSPWCIDO-ZDUSSCGKSA-N 1 0 189.302 2.747 10 0 AFAERO [NH3+][C@@H](c1ccsc1)c1cccs1 35379692 169249051 /nfs/dbraw/zinc/24/90/51/169249051.db2.gz PMGXFNZAPWSPAJ-VIFPVBQESA-N 1 0 195.312 2.858 10 0 AFAERO [NH3+][C@@H](c1cc(Cl)ccc1F)C1CC1 83264920 169249189 /nfs/dbraw/zinc/24/91/89/169249189.db2.gz LMFUELMTKLPJPI-SNVBAGLBSA-N 1 0 199.656 2.889 10 0 AFAERO [NH3+][C@@H](c1ccc2c(c1)CCC2)C1CC1 34939661 169249732 /nfs/dbraw/zinc/24/97/32/169249732.db2.gz RSCWXAMFUZBYTK-CYBMUJFWSA-N 1 0 187.286 2.585 10 0 AFAERO [NH3+][C@@H](c1ccc(F)cc1Cl)C1CC1 3739176 169249882 /nfs/dbraw/zinc/24/98/82/169249882.db2.gz NQUMCJWQIWOBJZ-SNVBAGLBSA-N 1 0 199.656 2.889 10 0 AFAERO [NH3+][C@@H](c1ccc(Cl)s1)C1CC1 3739144 169249895 /nfs/dbraw/zinc/24/98/95/169249895.db2.gz QFEIXLIOSBWKMC-MRVPVSSYSA-N 1 0 187.695 2.811 10 0 AFAERO [NH3+][C@@H](c1c[nH]c2ccccc12)C1CC1 40538218 169249939 /nfs/dbraw/zinc/24/99/39/169249939.db2.gz ISFYZQPLZBYJGH-GFCCVEGCSA-N 1 0 186.258 2.578 10 0 AFAERO [NH3+][C@@H](c1nccs1)C1CCCCC1 41059867 169249987 /nfs/dbraw/zinc/24/99/87/169249987.db2.gz UYKWLQGDJHWCRL-SECBINFHSA-N 1 0 196.319 2.723 10 0 AFAERO [NH3+][C@@H](c1ccccc1)c1ccsc1 35379499 169250161 /nfs/dbraw/zinc/25/01/61/169250161.db2.gz FFXYUUVWXZWFPE-NSHDSACASA-N 1 0 189.283 2.796 10 0 AFAERO [NH3+][C@@H]1CCCCCC[C@@H]1OC1CCC1 50520247 169250476 /nfs/dbraw/zinc/25/04/76/169250476.db2.gz DVNWUFQEVLMAGT-NEPJUHHUSA-N 1 0 197.322 2.606 10 0 AFAERO [NH3+][C@@H]1CCCC=C1Cc1ccccc1 75577958 169250613 /nfs/dbraw/zinc/25/06/13/169250613.db2.gz NZCAEPFNKSLHRL-CYBMUJFWSA-N 1 0 187.286 2.667 10 0 AFAERO [NH3+][C@@H]1CCCC=C1c1ccccc1 75563810 169250846 /nfs/dbraw/zinc/25/08/46/169250846.db2.gz LWEBFLHTPPFZBI-GFCCVEGCSA-N 1 0 173.259 2.581 10 0 AFAERO [NH3+][C@@H]1CCCC/C1=C\c1ccccc1 6095570 169251096 /nfs/dbraw/zinc/25/10/96/169251096.db2.gz XFPKIHDGJUBXGC-RSKUSDAESA-N 1 0 187.286 2.971 10 0 AFAERO [NH3+][C@@H]1C=C(c2ccccc2)CCC1 6096043 169251162 /nfs/dbraw/zinc/25/11/62/169251162.db2.gz OVKIGIXAXHNAGI-LBPRGKRZSA-N 1 0 173.259 2.581 10 0 AFAERO [NH3+][C@@H]1CCCC[C@H]1c1ccccc1F 35962429 169251439 /nfs/dbraw/zinc/25/14/39/169251439.db2.gz 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60713618 169251742 /nfs/dbraw/zinc/25/17/42/169251742.db2.gz HTYGJCFXQIGZPP-WDEREUQCSA-N 1 0 167.296 2.694 10 0 AFAERO [NH3+][C@@H]1CCCC[C@@H]1OC1CCCCC1 39090610 169251747 /nfs/dbraw/zinc/25/17/47/169251747.db2.gz CYESECLQSQPKRA-NEPJUHHUSA-N 1 0 197.322 2.606 10 0 AFAERO [NH3+][C@@H]1CCCC[C@H]1SC(F)(F)F 96029114 169251757 /nfs/dbraw/zinc/25/17/57/169251757.db2.gz YBTLNZLBAVNVKW-PHDIDXHHSA-N 1 0 199.241 2.509 10 0 AFAERO [NH3+][C@@H]1CCCCc2ccc(F)cc21 19727426 169251815 /nfs/dbraw/zinc/25/18/15/169251815.db2.gz BVAVAKBCFROGRN-LLVKDONJSA-N 1 0 179.238 2.552 10 0 AFAERO [NH3+][C@@H]1CCCC[C@@H]1c1cccs1 60713862 169251922 /nfs/dbraw/zinc/25/19/22/169251922.db2.gz KXWNIEBEHYGAME-DTWKUNHWSA-N 1 0 181.304 2.733 10 0 AFAERO [NH3+][C@@H]1CCCCCC[C@H]1OC1CCC1 50520248 169251964 /nfs/dbraw/zinc/25/19/64/169251964.db2.gz DVNWUFQEVLMAGT-VXGBXAGGSA-N 1 0 197.322 2.606 10 0 AFAERO [NH3+][C@@H]1CCCCC[C@@H]1OC1CCCC1 52927417 169251970 /nfs/dbraw/zinc/25/19/70/169251970.db2.gz YAQMKZYQZHSWGC-NEPJUHHUSA-N 1 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YTEYCXOKIJINSM-GFCCVEGCSA-N 1 0 188.274 2.582 10 0 AFAERO [NH3+][C@H](C1=CCCC1)c1cccs1 50326893 169263678 /nfs/dbraw/zinc/26/36/78/169263678.db2.gz RRQPIGYZBLZPCU-SNVBAGLBSA-N 1 0 179.288 2.858 10 0 AFAERO [NH3+][C@H](C1=CCCC1)c1ccc(F)cc1 50327107 169263690 /nfs/dbraw/zinc/26/36/90/169263690.db2.gz XLGDGOVDCBMOEL-GFCCVEGCSA-N 1 0 191.249 2.936 10 0 AFAERO [NH3+][C@H](C1=CCCC1)c1ccccc1 50327075 169263863 /nfs/dbraw/zinc/26/38/63/169263863.db2.gz DMXXWPNDKUKZJT-LBPRGKRZSA-N 1 0 173.259 2.797 10 0 AFAERO [NH3+][C@H](CC1CC1)C1=CCCCC1 50325562 169263923 /nfs/dbraw/zinc/26/39/23/169263923.db2.gz KRZDIOIDBAAPIV-LLVKDONJSA-N 1 0 165.280 2.614 10 0 AFAERO [NH3+][C@H](CC1CCCC1)c1ccccn1 53817038 169264018 /nfs/dbraw/zinc/26/40/18/169264018.db2.gz KQUMQQRLJGJAMK-LLVKDONJSA-N 1 0 190.290 2.662 10 0 AFAERO [NH3+][C@H](C1=CCCCC1)c1cscn1 62356873 169264117 /nfs/dbraw/zinc/26/41/17/169264117.db2.gz RZPNQSODGYMVPU-SNVBAGLBSA-N 1 0 194.303 2.643 10 0 AFAERO [NH3+][C@H](C1=CCCCC1)C1CCC1 50325647 169264141 /nfs/dbraw/zinc/26/41/41/169264141.db2.gz SGKINJYQJZKVER-LLVKDONJSA-N 1 0 165.280 2.614 10 0 AFAERO [NH3+][C@H](C1=CCCCC1)c1ccoc1 50325500 169264209 /nfs/dbraw/zinc/26/42/09/169264209.db2.gz UHQYIZZABNFUIK-LLVKDONJSA-N 1 0 177.247 2.780 10 0 AFAERO [NH3+][C@H](C1=CCCCCC1)C1CC1 50328279 169264313 /nfs/dbraw/zinc/26/43/13/169264313.db2.gz XKMVWINCLBLQOD-LLVKDONJSA-N 1 0 165.280 2.614 10 0 AFAERO [NH3+][C@H](CC1CC1)c1ccc(F)cc1F 49729318 169264314 /nfs/dbraw/zinc/26/43/14/169264314.db2.gz SBHLMTVDISUZTB-LLVKDONJSA-N 1 0 197.228 2.765 10 0 AFAERO [NH3+][C@H](CC1CCCC1)c1ccco1 43607144 169264319 /nfs/dbraw/zinc/26/43/19/169264319.db2.gz DXNRARJOESFWIK-SNVBAGLBSA-N 1 0 179.263 2.860 10 0 AFAERO [NH3+][C@H](C1=CCCC1)c1cccc(F)c1 50327137 169264321 /nfs/dbraw/zinc/26/43/21/169264321.db2.gz UNWITTDHTCKPFK-GFCCVEGCSA-N 1 0 191.249 2.936 10 0 AFAERO [NH3+][C@H](CC1CCCC1)c1cccnc1 53817116 169264338 /nfs/dbraw/zinc/26/43/38/169264338.db2.gz NDWMOOWCGKLQPY-GFCCVEGCSA-N 1 0 190.290 2.662 10 0 AFAERO [NH3+][C@H](CCCc1ccccc1)C1CC1 32008182 169264980 /nfs/dbraw/zinc/26/49/80/169264980.db2.gz MBYJAVKNBJEVKS-CYBMUJFWSA-N 1 0 189.302 2.747 10 0 AFAERO [NH3+][C@H](CCc1ccccc1)CC1CC1 82390745 169265224 /nfs/dbraw/zinc/26/52/24/169265224.db2.gz SKCXYPXRWFQBSZ-CYBMUJFWSA-N 1 0 189.302 2.747 10 0 AFAERO [NH3+][C@H](Cc1cccs1)c1ccco1 11601708 169267453 /nfs/dbraw/zinc/26/74/53/169267453.db2.gz OVDRAJFFJZKZQT-SECBINFHSA-N 1 0 193.271 2.584 10 0 AFAERO [NH3+][C@H](Cc1ccsc1)c1ccoc1 38127691 169268030 /nfs/dbraw/zinc/26/80/30/169268030.db2.gz UUFNIQOQMQJDHB-SNVBAGLBSA-N 1 0 193.271 2.584 10 0 AFAERO [NH3+][C@H](Cc1cccs1)c1ccoc1 38128654 169268036 /nfs/dbraw/zinc/26/80/36/169268036.db2.gz XDOFBUQDBGROCJ-SNVBAGLBSA-N 1 0 193.271 2.584 10 0 AFAERO [NH3+][C@H](Cc1ccccc1)C1=CCCC1 50326966 169268247 /nfs/dbraw/zinc/26/82/47/169268247.db2.gz NUGDARUBJARJHV-CYBMUJFWSA-N 1 0 187.286 2.667 10 0 AFAERO [NH3+][C@H](Cc1ccco1)c1cccs1 11601515 169268484 /nfs/dbraw/zinc/26/84/84/169268484.db2.gz GRYPUNXCUYIURA-SECBINFHSA-N 1 0 193.271 2.584 10 0 AFAERO [NH3+][C@H](Cc1ccccc1)c1ccoc1 38127138 169268526 /nfs/dbraw/zinc/26/85/26/169268526.db2.gz YAQHTJPGRTXPJH-GFCCVEGCSA-N 1 0 187.242 2.522 10 0 AFAERO [NH3+][C@H](Cc1ccccc1)CC1CCC1 6575242 169268611 /nfs/dbraw/zinc/26/86/11/169268611.db2.gz YDUQPFHSPWCIDO-CYBMUJFWSA-N 1 0 189.302 2.747 10 0 AFAERO [NH3+][C@H](Cc1cccs1)C1CCCC1 38128588 169268645 /nfs/dbraw/zinc/26/86/45/169268645.db2.gz INMANHBQKSPCEU-LLVKDONJSA-N 1 0 195.331 2.808 10 0 AFAERO [NH3+][C@H](Cc1ccsc1)C1CCCC1 38127616 169268736 /nfs/dbraw/zinc/26/87/36/169268736.db2.gz QECCPYVDFWAQEN-LLVKDONJSA-N 1 0 195.331 2.808 10 0 AFAERO [NH3+][C@H](Cc1ccco1)c1ccccc1 11601523 169268759 /nfs/dbraw/zinc/26/87/59/169268759.db2.gz MJQWVFRXFKYPLN-GFCCVEGCSA-N 1 0 187.242 2.522 10 0 AFAERO [NH3+][C@H](Cc1ccsc1)c1ccco1 38127693 169268843 /nfs/dbraw/zinc/26/88/43/169268843.db2.gz ZJDRGRIVYFHJAY-SECBINFHSA-N 1 0 193.271 2.584 10 0 AFAERO [NH3+][C@H](c1ccc2c(c1)CCC2)C1CC1 34939662 169269135 /nfs/dbraw/zinc/26/91/35/169269135.db2.gz RSCWXAMFUZBYTK-ZDUSSCGKSA-N 1 0 187.286 2.585 10 0 AFAERO [NH3+][C@H](c1cc(Cl)ccc1F)C1CC1 83264921 169269182 /nfs/dbraw/zinc/26/91/82/169269182.db2.gz LMFUELMTKLPJPI-JTQLQIEISA-N 1 0 199.656 2.889 10 0 AFAERO [NH3+][C@H](c1nccs1)C1CCCCC1 41059868 169269446 /nfs/dbraw/zinc/26/94/46/169269446.db2.gz UYKWLQGDJHWCRL-VIFPVBQESA-N 1 0 196.319 2.723 10 0 AFAERO [NH3+][C@H](c1ccc(F)cc1Cl)C1CC1 3739177 169269567 /nfs/dbraw/zinc/26/95/67/169269567.db2.gz NQUMCJWQIWOBJZ-JTQLQIEISA-N 1 0 199.656 2.889 10 0 AFAERO [NH3+][C@H](c1c[nH]c2ccccc12)C1CC1 40538219 169269599 /nfs/dbraw/zinc/26/95/99/169269599.db2.gz ISFYZQPLZBYJGH-LBPRGKRZSA-N 1 0 186.258 2.578 10 0 AFAERO [NH3+][C@H](c1ccsc1)c1cccs1 35379691 169270125 /nfs/dbraw/zinc/27/01/25/169270125.db2.gz PMGXFNZAPWSPAJ-SECBINFHSA-N 1 0 195.312 2.858 10 0 AFAERO [NH3+][C@H](c1ccccc1)c1ccsc1 35379500 169270151 /nfs/dbraw/zinc/27/01/51/169270151.db2.gz FFXYUUVWXZWFPE-LLVKDONJSA-N 1 0 189.283 2.796 10 0 AFAERO [NH3+][C@H](c1ccc(Cl)s1)C1CC1 3739145 169270155 /nfs/dbraw/zinc/27/01/55/169270155.db2.gz QFEIXLIOSBWKMC-QMMMGPOBSA-N 1 0 187.695 2.811 10 0 AFAERO [NH3+][C@H]1C=C(c2ccccc2)CCC1 6096039 169270702 /nfs/dbraw/zinc/27/07/02/169270702.db2.gz OVKIGIXAXHNAGI-GFCCVEGCSA-N 1 0 173.259 2.581 10 0 AFAERO [NH3+][C@H]1CCCC[C@@H]1c1ccccc1F 35962427 169271740 /nfs/dbraw/zinc/27/17/40/169271740.db2.gz ZDSZGJLMTWWPHH-PWSUYJOCSA-N 1 0 193.265 2.811 10 0 AFAERO [NH3+][C@H]1CCCCc2c(F)ccc(F)c21 54742724 169271743 /nfs/dbraw/zinc/27/17/43/169271743.db2.gz SVOAEGCHFKUYKR-JTQLQIEISA-N 1 0 197.228 2.691 10 0 AFAERO [NH3+][C@H]1CCCC[C@H]1c1ccccc1F 35962425 169271747 /nfs/dbraw/zinc/27/17/47/169271747.db2.gz ZDSZGJLMTWWPHH-JQWIXIFHSA-N 1 0 193.265 2.811 10 0 AFAERO [NH3+][C@H]1CCCC[C@@H]1Cc1ccsc1 42401615 169271763 /nfs/dbraw/zinc/27/17/63/169271763.db2.gz KBZVAPKXDUWTFI-MNOVXSKESA-N 1 0 195.331 2.808 10 0 AFAERO [NH3+][C@H]1CCCC[C@@H]1c1ccc(F)cc1 60713640 169271821 /nfs/dbraw/zinc/27/18/21/169271821.db2.gz 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42402092 169272239 /nfs/dbraw/zinc/27/22/39/169272239.db2.gz NIJOAGAOWYIPEU-ONGXEEELSA-N 1 0 195.331 2.808 10 0 AFAERO [NH3+][C@H]1CCCC[C@H]1OC1CCCCC1 54320117 169272247 /nfs/dbraw/zinc/27/22/47/169272247.db2.gz CYESECLQSQPKRA-NWDGAFQWSA-N 1 0 197.322 2.606 10 0 AFAERO [NH3+][C@H]1CCCCCC[C@H]1OC1CCC1 50520250 169272257 /nfs/dbraw/zinc/27/22/57/169272257.db2.gz DVNWUFQEVLMAGT-NWDGAFQWSA-N 1 0 197.322 2.606 10 0 AFAERO [NH3+][C@H]1CCCCc2ccc(F)cc21 19727427 169272331 /nfs/dbraw/zinc/27/23/31/169272331.db2.gz BVAVAKBCFROGRN-NSHDSACASA-N 1 0 179.238 2.552 10 0 AFAERO [NH3+][C@H]1CCCC[C@H]1c1cccc(F)c1 60713673 169272365 /nfs/dbraw/zinc/27/23/65/169272365.db2.gz YMNWSOHSDXGHDD-RYUDHWBXSA-N 1 0 193.265 2.811 10 0 AFAERO [NH3+][C@H]1CCCC[C@@H]1Cc1cccs1 42402097 169272402 /nfs/dbraw/zinc/27/24/02/169272402.db2.gz NIJOAGAOWYIPEU-KOLCDFICSA-N 1 0 195.331 2.808 10 0 AFAERO [NH3+][C@H]1CCCC[C@@H]1c1cccc(F)c1 60713676 169272514 /nfs/dbraw/zinc/27/25/14/169272514.db2.gz YMNWSOHSDXGHDD-NEPJUHHUSA-N 1 0 193.265 2.811 10 0 AFAERO [NH3+][C@H]1CCCCCC[C@@H]1OC1CCC1 50520249 169272576 /nfs/dbraw/zinc/27/25/76/169272576.db2.gz DVNWUFQEVLMAGT-RYUDHWBXSA-N 1 0 197.322 2.606 10 0 AFAERO [NH3+][C@H]1CCCC[C@@H]1SC(F)(F)F 96029115 169272625 /nfs/dbraw/zinc/27/26/25/169272625.db2.gz YBTLNZLBAVNVKW-WDSKDSINSA-N 1 0 199.241 2.509 10 0 AFAERO [NH3+][C@H]1CCCC[C@H]1Cc1ccsc1 42401612 169272649 /nfs/dbraw/zinc/27/26/49/169272649.db2.gz KBZVAPKXDUWTFI-QWRGUYRKSA-N 1 0 195.331 2.808 10 0 AFAERO [NH3+][C@H]1CCCC[C@H]1c1cccs1 60713854 169272651 /nfs/dbraw/zinc/27/26/51/169272651.db2.gz KXWNIEBEHYGAME-BDAKNGLRSA-N 1 0 181.304 2.733 10 0 AFAERO [NH3+][C@H]1CCCCC[C@H]1Cc1ccco1 62102427 169272655 /nfs/dbraw/zinc/27/26/55/169272655.db2.gz LXQLZJKSBFQYDZ-JQWIXIFHSA-N 1 0 193.290 2.730 10 0 AFAERO [NH3+][C@H]1CCCC[C@H]1C1CCCC1 60713613 169272698 /nfs/dbraw/zinc/27/26/98/169272698.db2.gz HTYGJCFXQIGZPP-QWRGUYRKSA-N 1 0 167.296 2.694 10 0 AFAERO [NH3+][C@H]1CCCC[C@@H]1C1CCCC1 60713616 169272729 /nfs/dbraw/zinc/27/27/29/169272729.db2.gz HTYGJCFXQIGZPP-MNOVXSKESA-N 1 0 167.296 2.694 10 0 AFAERO [NH3+][C@H]1CCCC[C@@H]1c1cccs1 60713858 169272736 /nfs/dbraw/zinc/27/27/36/169272736.db2.gz KXWNIEBEHYGAME-IUCAKERBSA-N 1 0 181.304 2.733 10 0 AFAERO [NH3+][C@H]1CCCCC[C@@H]1Cc1ccco1 62102428 169272756 /nfs/dbraw/zinc/27/27/56/169272756.db2.gz LXQLZJKSBFQYDZ-PWSUYJOCSA-N 1 0 193.290 2.730 10 0 AFAERO [NH3+][C@H]1CCCC=C1c1ccccc1 75563806 169272790 /nfs/dbraw/zinc/27/27/90/169272790.db2.gz LWEBFLHTPPFZBI-LBPRGKRZSA-N 1 0 173.259 2.581 10 0 AFAERO [NH3+][C@H]1CCCC=C1Cc1ccccc1 75577957 169272910 /nfs/dbraw/zinc/27/29/10/169272910.db2.gz NZCAEPFNKSLHRL-ZDUSSCGKSA-N 1 0 187.286 2.667 10 0 AFAERO [NH3+][C@H]1CCCC[C@@H]1OC1CCCCC1 54320120 169272929 /nfs/dbraw/zinc/27/29/29/169272929.db2.gz CYESECLQSQPKRA-RYUDHWBXSA-N 1 0 197.322 2.606 10 0 AFAERO [NH3+][C@H]1CCC[C@H](c2ccc(F)cc2)C1 70637065 169272987 /nfs/dbraw/zinc/27/29/87/169272987.db2.gz UYSCMAJCSNUILT-JQWIXIFHSA-N 1 0 193.265 2.811 10 0 AFAERO [NH3+][C@H]1CCC[C@@H]1C1CCCCC1 39328173 169273022 /nfs/dbraw/zinc/27/30/22/169273022.db2.gz QMVFOIDILDHCDC-MNOVXSKESA-N 1 0 167.296 2.694 10 0 AFAERO [NH3+][C@H]1CCCSc2c(F)cccc21 36928856 169273056 /nfs/dbraw/zinc/27/30/56/169273056.db2.gz READIPDOUBVSKQ-VIFPVBQESA-N 1 0 197.278 2.711 10 0 AFAERO [NH3+][C@H]1CCC[C@H]1c1cc(F)ccc1F 55243663 169273084 /nfs/dbraw/zinc/27/30/84/169273084.db2.gz UUUTZBNJJNEZSI-KWQFWETISA-N 1 0 197.228 2.560 10 0 AFAERO [NH3+][C@H]1CCC[C@@H](c2ccc(F)cc2)C1 70637063 169273122 /nfs/dbraw/zinc/27/31/22/169273122.db2.gz UYSCMAJCSNUILT-PWSUYJOCSA-N 1 0 193.265 2.811 10 0 AFAERO [NH3+][C@H]1CCC[C@@H]1c1cc(F)ccc1F 55243667 169273138 /nfs/dbraw/zinc/27/31/38/169273138.db2.gz UUUTZBNJJNEZSI-KCJUWKMLSA-N 1 0 197.228 2.560 10 0 AFAERO [NH3+][C@H]1CCC[C@@H]1c1cc(F)cc(F)c1 55231134 169273163 /nfs/dbraw/zinc/27/31/63/169273163.db2.gz QWLDYDCYVZHMLB-MNOVXSKESA-N 1 0 197.228 2.560 10 0 AFAERO [NH3+][C@H]1CCC[C@@H]1c1ccc(F)c(F)c1 55237757 169273189 /nfs/dbraw/zinc/27/31/89/169273189.db2.gz QOEBXHPNNBCJOH-KCJUWKMLSA-N 1 0 197.228 2.560 10 0 AFAERO [NH3+][C@H]1CCC[C@@H](c2cccc(F)c2)C1 70637206 169273195 /nfs/dbraw/zinc/27/31/95/169273195.db2.gz WJVADLHLVYWKBZ-PWSUYJOCSA-N 1 0 193.265 2.811 10 0 AFAERO [NH3+][C@H]1CCC[C@@H]1c1ccc(F)cc1F 55239355 169273212 /nfs/dbraw/zinc/27/32/12/169273212.db2.gz DKCVQHHIOAHJFX-KOLCDFICSA-N 1 0 197.228 2.560 10 0 AFAERO [NH3+][C@H]1CCC[C@H]1C1CCCCC1 39328171 169273267 /nfs/dbraw/zinc/27/32/67/169273267.db2.gz QMVFOIDILDHCDC-QWRGUYRKSA-N 1 0 167.296 2.694 10 0 AFAERO [NH3+][C@H]1CCC[C@@H](c2ccccc2F)C1 70637229 169273339 /nfs/dbraw/zinc/27/33/39/169273339.db2.gz PNQVBHVSZDAJAK-ZJUUUORDSA-N 1 0 193.265 2.811 10 0 AFAERO [NH3+][C@H]1CCC[C@H]1CC1CCCC1 48770161 169273361 /nfs/dbraw/zinc/27/33/61/169273361.db2.gz RHAHBJCASPFOCN-QWRGUYRKSA-N 1 0 167.296 2.694 10 0 AFAERO [NH3+][C@H]1CCCc2cccc(Cl)c21 75835062 169273372 /nfs/dbraw/zinc/27/33/72/169273372.db2.gz GIYJNWLGEYPLDR-VIFPVBQESA-N 1 0 181.666 2.676 10 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/nfs/dbraw/zinc/27/58/06/169275806.db2.gz JGMJBISFTYHCFJ-BDAKNGLRSA-N 1 0 195.693 2.935 10 0 AFAERO [NH3+][C@H]1CC[C@H](c2ccccc2Cl)C1 57489825 169275862 /nfs/dbraw/zinc/27/58/62/169275862.db2.gz JGMJBISFTYHCFJ-IUCAKERBSA-N 1 0 195.693 2.935 10 0 AFAERO [NH3+][C@H]1CC[C@H](c2ccc(F)c(F)c2)C1 70636523 169275949 /nfs/dbraw/zinc/27/59/49/169275949.db2.gz ANKKMWXSEAVKPH-CBAPKCEASA-N 1 0 197.228 2.560 10 0 AFAERO [NH3+][C@H]1CC[C@@H](c2ccc(F)c(F)c2)C1 70636521 169276030 /nfs/dbraw/zinc/27/60/30/169276030.db2.gz ANKKMWXSEAVKPH-APPZFPTMSA-N 1 0 197.228 2.560 10 0 AFAERO [NH3+][C@H]1CCc2c1ccc1ccccc21 42405081 169276121 /nfs/dbraw/zinc/27/61/21/169276121.db2.gz GMCXOTCLTLRPFZ-ZDUSSCGKSA-N 1 0 183.254 2.786 10 0 AFAERO [NH3+][C@H]1CCSC2(CCCCC2)C1 82392460 169276164 /nfs/dbraw/zinc/27/61/64/169276164.db2.gz LOTKFAFECADUMR-VIFPVBQESA-N 1 0 185.336 2.544 10 0 AFAERO [NH3+][C@H]1CCSc2cc(Cl)ccc21 82912274 169276327 /nfs/dbraw/zinc/27/63/27/169276327.db2.gz VMABZZUSUHGUOY-QMMMGPOBSA-N 1 0 199.706 2.836 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39934107 169280723 /nfs/dbraw/zinc/28/07/23/169280723.db2.gz YESNBFAEPGJCQQ-XQHKEYJVSA-N 1 0 187.286 2.527 10 0 AFAERO [NH3+][C@H]1c2cc(Cl)ccc2CC12CC2 71489351 169280781 /nfs/dbraw/zinc/28/07/81/169280781.db2.gz QWZSAWZRESFHJP-JTQLQIEISA-N 1 0 193.677 2.676 10 0 AFAERO [NH3+][C@H]1[C@H](c2ccccc2)[C@H]2CC[C@@H]1C2 104378352 169281139 /nfs/dbraw/zinc/28/11/39/169281139.db2.gz YESNBFAEPGJCQQ-UMSGYPCISA-N 1 0 187.286 2.527 10 0 AFAERO [NH3+][C@H]1c2cccc(F)c2CCC12CC2 71489391 169281299 /nfs/dbraw/zinc/28/12/99/169281299.db2.gz CXSSJCDOQKQPGA-NSHDSACASA-N 1 0 191.249 2.552 10 0 AFAERO [NH3+][C@H]1c2ccccc2-c2sccc21 82781358 169281301 /nfs/dbraw/zinc/28/13/01/169281301.db2.gz GVEIHGNERHFJNL-JTQLQIEISA-N 1 0 187.267 2.777 10 0 AFAERO [NH3+][C@H]1c2cc(F)ccc2CCC12CC2 71489293 169281345 /nfs/dbraw/zinc/28/13/45/169281345.db2.gz VIUHYFJIUHNODM-NSHDSACASA-N 1 0 191.249 2.552 10 0 AFAERO [NH3+][C@H]1c2cccc(Cl)c2CC12CC2 71489380 169281720 /nfs/dbraw/zinc/28/17/20/169281720.db2.gz TYXUJXUZMPKEQY-JTQLQIEISA-N 1 0 193.677 2.676 10 0 AFAERO [NH3+][C@H]1[C@H]2CC[C@H](C2)[C@@H]1c1ccccc1 2598082 169281722 /nfs/dbraw/zinc/28/17/22/169281722.db2.gz YESNBFAEPGJCQQ-VOAKCMCISA-N 1 0 187.286 2.527 10 0 AFAERO [NH3+][C@]12CC=CC[C@@H]1CCc1ccccc12 26153514 169282054 /nfs/dbraw/zinc/28/20/54/169282054.db2.gz PPNZYYCVPVRFCF-TZMCWYRMSA-N 1 0 199.297 2.753 10 0 AFAERO [NH3+][C@]12CC=CC[C@H]1CCc1ccccc12 13831963 169282157 /nfs/dbraw/zinc/28/21/57/169282157.db2.gz PPNZYYCVPVRFCF-GXTWGEPZSA-N 1 0 199.297 2.753 10 0 AFAERO [NH3+][C@]12CCCC[C@@H]1c1ccccc1C2 27726298 169282186 /nfs/dbraw/zinc/28/21/86/169282186.db2.gz VRODRPSHGSGBPC-OLZOCXBDSA-N 1 0 187.286 2.598 10 0 AFAERO [NH3+][C@]12CCCC[C@H]1c1ccccc1C2 27726313 169282242 /nfs/dbraw/zinc/28/22/42/169282242.db2.gz VRODRPSHGSGBPC-STQMWFEESA-N 1 0 187.286 2.598 10 0 AFAERO [NH3+][C@]12CCCC[C@H]1Cc1ccccc12 1482842 169282266 /nfs/dbraw/zinc/28/22/66/169282266.db2.gz NUOQOLUXBAFBAG-WCQYABFASA-N 1 0 187.286 2.587 10 0 AFAERO Nc1cc(C2CC2)[nH+]c2ccccc12 41202670 169284805 /nfs/dbraw/zinc/28/48/05/169284805.db2.gz KCBFWJHPVRJMIJ-UHFFFAOYSA-N 1 0 184.242 2.694 10 0 AFAERO Nc1cc[nH+]c(/C=C/c2ccccc2)c1 3815994 169299243 /nfs/dbraw/zinc/29/92/43/169299243.db2.gz HROXYBXSZXJQQN-VOTSOKGWSA-N 1 0 196.253 2.834 10 0 AFAERO Nc1cc[nH+]c(C2CCCCC2)c1 44118315 169299577 /nfs/dbraw/zinc/29/95/77/169299577.db2.gz HOIYPZWNXQLNOA-UHFFFAOYSA-N 1 0 176.263 2.712 10 0 AFAERO Nc1cc[nH+]c2c3c(ccc12)CCCC3 50843902 169300539 /nfs/dbraw/zinc/30/05/39/169300539.db2.gz NLLPVFXLMPVEHZ-UHFFFAOYSA-N 1 0 198.269 2.696 10 0 AFAERO C[C@H]1CCC[C@@H]1NOC1CCCC1 136940344 343982795 /nfs/dbraw/zinc/98/27/95/343982795.db2.gz AIEJUHSFDUEKNP-ONGXEEELSA-N 1 0 183.295 2.639 10 0 AFAERO [NH3+]C[C@H]1C[C@@H]1c1ccc(Cl)c(F)c1 54588263 169217079 /nfs/dbraw/zinc/21/70/79/169217079.db2.gz GCMXQQNPTDUIJK-HTQZYQBOSA-N 1 0 199.656 2.541 10 0 AFAERO [NH3+]C[C@H]1C[C@H]1c1ccc(Cl)c(F)c1 54588262 169217198 /nfs/dbraw/zinc/21/71/98/169217198.db2.gz GCMXQQNPTDUIJK-SFYZADRCSA-N 1 0 199.656 2.541 10 0 AFAERO [NH3+]C[C@H]1C[C@@H]1c1ccc(Cl)cc1F 40424285 169217415 /nfs/dbraw/zinc/21/74/15/169217415.db2.gz SYQBSYZGWVNIKD-MUWHJKNJSA-N 1 0 199.656 2.541 10 0 AFAERO [NH3+]C[C@H]1C[C@H]1c1cccc2ccccc12 54561895 169217563 /nfs/dbraw/zinc/21/75/63/169217563.db2.gz JQSXKLVUGBMCQV-BXUZGUMPSA-N 1 0 197.281 2.902 10 0 AFAERO [NH3+]C[C@H]1C[C@@H]1c1ccc2ccccc2c1 44430333 169217574 /nfs/dbraw/zinc/21/75/74/169217574.db2.gz XNUCTOJBURGYIE-ZIAGYGMSSA-N 1 0 197.281 2.902 10 0 AFAERO C#[N+]c1c(F)cc(F)cc1F 104394716 169467244 /nfs/dbraw/zinc/46/72/44/169467244.db2.gz XZPKKPRZQKTZEY-UHFFFAOYSA-N 1 0 157.094 2.655 10 0 AFAERO C#[N+]c1cc(F)ccc1F 104394708 169467490 /nfs/dbraw/zinc/46/74/90/169467490.db2.gz SCEDXRSZNOFWCF-UHFFFAOYSA-N 1 0 139.104 2.516 10 0 AFAERO C#[N+]c1c(N)sc2c1CCCC2 103645341 169467788 /nfs/dbraw/zinc/46/77/88/169467788.db2.gz MXNFZGATXZBSHO-UHFFFAOYSA-N 1 0 178.260 2.760 10 0 AFAERO C#[N+]c1ccc(C(F)(F)F)nc1 104462097 169467850 /nfs/dbraw/zinc/46/78/50/169467850.db2.gz OSBWXEAGEYGKHQ-UHFFFAOYSA-N 1 0 172.109 2.651 10 0 AFAERO C#[N+]c1ccc(C)cc1C 100225072 169467930 /nfs/dbraw/zinc/46/79/30/169467930.db2.gz YFTRHHTUIXPTLJ-UHFFFAOYSA-N 1 0 131.178 2.854 10 0 AFAERO C#[N+]c1cccc(F)c1F 79362955 169468157 /nfs/dbraw/zinc/46/81/57/169468157.db2.gz ZGRXGZMRVZWOJO-UHFFFAOYSA-N 1 0 139.104 2.516 10 0 AFAERO C#[N+]c1cccc(F)c1C 104395545 169468476 /nfs/dbraw/zinc/46/84/76/169468476.db2.gz CRCLWPWCMHVFBN-UHFFFAOYSA-N 1 0 135.141 2.685 10 0 AFAERO c1cc([C@@H]2CCC[NH2+]2)c2ccoc2c1 82879569 169472026 /nfs/dbraw/zinc/47/20/26/169472026.db2.gz FWTMQOZQGHLEQN-NSHDSACASA-N 1 0 187.242 2.857 10 0 AFAERO c1cc([C@H]2CCCCC[NH2+]2)cs1 3735171 169472334 /nfs/dbraw/zinc/47/23/34/169472334.db2.gz QGVBZLBCAZCQTC-SNVBAGLBSA-N 1 0 181.304 2.953 10 0 AFAERO c1cc([C@H]2CCC[NH2+]2)c2cccnc2c1 6045153 169472487 /nfs/dbraw/zinc/47/24/87/169472487.db2.gz WVNKBHQGKHALOF-CYBMUJFWSA-N 1 0 198.269 2.659 10 0 AFAERO c1cc2ccc([C@H]3CCC[NH2+]3)cc2o1 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189.283 2.936 10 0 AFAERO c1ccc2c([C@H]3CCC[NH2+]3)ccnc2c1 75600817 169477820 /nfs/dbraw/zinc/47/78/20/169477820.db2.gz ZAWCKNBHYQFTSK-CYBMUJFWSA-N 1 0 198.269 2.659 10 0 AFAERO c1ccc([C@@H]2C[C@H]2[NH2+]C2CCC2)cc1 44676436 169478030 /nfs/dbraw/zinc/47/80/30/169478030.db2.gz GMJMWICCKFUVMZ-QWHCGFSZSA-N 1 0 187.286 2.685 10 0 AFAERO c1ccc2c([C@H]3CC[NH2+]3)cccc2c1 20596515 169478149 /nfs/dbraw/zinc/47/81/49/169478149.db2.gz QLVAWUHXMSCFOX-CYBMUJFWSA-N 1 0 183.254 2.874 10 0 AFAERO c1ccc([C@H]2[NH2+]CCC23CC3)cc1 82868097 169478205 /nfs/dbraw/zinc/47/82/05/169478205.db2.gz DAJROIGLUNTXFC-LLVKDONJSA-N 1 0 173.259 2.501 10 0 AFAERO c1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CC12CC2 335275970 169478818 /nfs/dbraw/zinc/47/88/18/169478818.db2.gz CLNIEMUWZPXIOK-STQMWFEESA-N 1 0 199.297 2.816 10 0 AFAERO c1ccc2c(c1)CC[NH2+][C@@H]2CC1CC1 83000346 169479009 /nfs/dbraw/zinc/47/90/09/169479009.db2.gz HCOKYPHLVSXKMD-CYBMUJFWSA-N 1 0 187.286 2.674 10 0 AFAERO c1ccc2c(c1)CC[NH2+][C@H]2CC1CC1 83000348 169479087 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Cc1cc2c(s1)C[N@@H+](C)C[C@H]2C 39123415 343202507 /nfs/dbraw/zinc/20/25/07/343202507.db2.gz XDSOYNSOKBZPCK-SSDOTTSWSA-N 1 0 181.304 2.605 10 0 AFAERO C[C@H]1[NH2+]CC(C)(C)c2ccsc21 39123388 343202565 /nfs/dbraw/zinc/20/25/65/343202565.db2.gz RCBKHXGWSACMAT-SSDOTTSWSA-N 1 0 181.304 2.690 10 0 AFAERO Cc1ccc2cc(Cl)ccc2[n+]1C 39191246 343205642 /nfs/dbraw/zinc/20/56/42/343205642.db2.gz YMCOECBFOJJUKI-UHFFFAOYSA-N 1 0 192.669 2.626 10 0 AFAERO C1=CC[N@@H+](Cc2ccccc2)C=C1 39194514 343205824 /nfs/dbraw/zinc/20/58/24/343205824.db2.gz GVGVUNDFQUSHDM-UHFFFAOYSA-N 1 0 171.243 2.572 10 0 AFAERO Cc1ccc([N+]#N)c(C)c1 39222173 343206842 /nfs/dbraw/zinc/20/68/42/343206842.db2.gz OZFIHBQOVBNJMB-UHFFFAOYSA-N 1 0 133.174 2.788 10 0 AFAERO CC(C)(C)P([NH3+])C(C)(C)C 39236206 343207389 /nfs/dbraw/zinc/20/73/89/343207389.db2.gz CTNTXYYAPWZQQX-UHFFFAOYSA-N 1 0 161.229 2.939 10 0 AFAERO CC[NH+](/C=C/c1ccccc1)CC 39235982 343207518 /nfs/dbraw/zinc/20/75/18/343207518.db2.gz DPLUMPJQXVYXBH-ZHACJKMWSA-N 1 0 175.275 2.999 10 0 AFAERO Cc1ccc(C)c([N+]#N)c1 39250095 343208361 /nfs/dbraw/zinc/20/83/61/343208361.db2.gz IIJSHAXRAPXNMV-UHFFFAOYSA-N 1 0 133.174 2.788 10 0 AFAERO CC[C@H]1CC[N@H+](Cc2ccccc2)C1 39258936 343208615 /nfs/dbraw/zinc/20/86/15/343208615.db2.gz VMUOXMZAVAFFRR-LBPRGKRZSA-N 1 0 189.302 2.919 10 0 AFAERO CC[C@@H]1CC[N@H+](Cc2ccccc2)C1 39258935 343208646 /nfs/dbraw/zinc/20/86/46/343208646.db2.gz VMUOXMZAVAFFRR-GFCCVEGCSA-N 1 0 189.302 2.919 10 0 AFAERO CCOc1cccc([N+]#N)c1 39305360 343209935 /nfs/dbraw/zinc/20/99/35/343209935.db2.gz WPXNTAZDXOPCBF-UHFFFAOYSA-N 1 0 149.173 2.570 10 0 AFAERO CC(C)[C@H]1c2ccccc2CC[N@H+]1C 39286228 343209951 /nfs/dbraw/zinc/20/99/51/343209951.db2.gz RWBMNPKZVYPAKF-ZDUSSCGKSA-N 1 0 189.302 2.872 10 0 AFAERO CC(C)[C@@H]1c2ccccc2CC[N@H+]1C 39286227 343210032 /nfs/dbraw/zinc/21/00/32/343210032.db2.gz RWBMNPKZVYPAKF-CYBMUJFWSA-N 1 0 189.302 2.872 10 0 AFAERO [NH3+][C@@H]1CCC[C@H]1C1CCCCC1 39328175 343210855 /nfs/dbraw/zinc/21/08/55/343210855.db2.gz QMVFOIDILDHCDC-WDEREUQCSA-N 1 0 167.296 2.694 10 0 AFAERO CC(C)[N@H+](C)Cc1ccccc1 39382805 343211455 /nfs/dbraw/zinc/21/14/55/343211455.db2.gz WFMUJLWWGDJDBF-UHFFFAOYSA-N 1 0 163.264 2.527 10 0 in-vitro AFAERO C[C@H](c1cccc(O)c1)[NH+]1CCCC1 39372577 343211633 /nfs/dbraw/zinc/21/16/33/343211633.db2.gz BAGWHXCGUQOUFE-SNVBAGLBSA-N 1 0 191.274 2.549 10 0 AFAERO C[C@H]1CCC[C@H]([NH+]2CCCC2)C1 39416303 343212138 /nfs/dbraw/zinc/21/21/38/343212138.db2.gz HYZVWBWAJVNXQN-QWRGUYRKSA-N 1 0 167.296 2.661 10 0 AFAERO CC[C@@H]1[NH2+]C[C@H](C)c2ccccc21 39407159 343212215 /nfs/dbraw/zinc/21/22/15/343212215.db2.gz UFBUFFHFNYJQOK-CABZTGNLSA-N 1 0 175.275 2.844 10 0 AFAERO C[C@@H]1CCC[C@H]([NH+]2CCCC2)C1 39416302 343212222 /nfs/dbraw/zinc/21/22/22/343212222.db2.gz HYZVWBWAJVNXQN-MNOVXSKESA-N 1 0 167.296 2.661 10 0 AFAERO C[C@H]1CCC[C@@H]([NH+]2CCCC2)C1 39416305 343212308 /nfs/dbraw/zinc/21/23/08/343212308.db2.gz HYZVWBWAJVNXQN-WDEREUQCSA-N 1 0 167.296 2.661 10 0 AFAERO CCCCCCC(C)=[NH2+] 39648158 343213614 /nfs/dbraw/zinc/21/36/14/343213614.db2.gz QEUUNTBQCCMXGB-UHFFFAOYSA-N 1 0 127.231 2.996 10 0 AFAERO CC(C)[C@](C)([NH3+])c1cccs1 40237713 343216030 /nfs/dbraw/zinc/21/60/30/343216030.db2.gz KVTWIZGMORSQPY-VIFPVBQESA-N 1 0 169.293 2.578 10 0 AFAERO CC[C@H](C)[C@](C)([NH3+])c1cccs1 40237745 343216052 /nfs/dbraw/zinc/21/60/52/343216052.db2.gz AVOWAHSPNUHEGK-WPRPVWTQSA-N 1 0 183.320 2.968 10 0 AFAERO CC[C@]([NH3+])(c1cccs1)C(C)C 40237752 343216198 /nfs/dbraw/zinc/21/61/98/343216198.db2.gz FACLFZFZJYGNSB-SNVBAGLBSA-N 1 0 183.320 2.968 10 0 AFAERO CC(C)[C@@](C)([NH3+])c1cccs1 40237715 343216236 /nfs/dbraw/zinc/21/62/36/343216236.db2.gz KVTWIZGMORSQPY-SECBINFHSA-N 1 0 169.293 2.578 10 0 AFAERO CCC([NH3+])(CC)c1cccs1 40237711 343216263 /nfs/dbraw/zinc/21/62/63/343216263.db2.gz DDYZFBUKDMZXSC-UHFFFAOYSA-N 1 0 169.293 2.722 10 0 AFAERO Cc1c(F)cccc1[C@@H]1CCC[NH2+]1 40442589 343218204 /nfs/dbraw/zinc/21/82/04/343218204.db2.gz SNOFBCOABDOGOX-NSHDSACASA-N 1 0 179.238 2.559 10 0 AFAERO Cc1ccc(F)c([C@@H]2CCC[NH2+]2)c1 40442612 343218329 /nfs/dbraw/zinc/21/83/29/343218329.db2.gz ROEKHWNJWSGMSN-NSHDSACASA-N 1 0 179.238 2.559 10 0 AFAERO Cc1nc(C)c([C@@H](C)[NH2+]C(C)C)s1 40517722 343219818 /nfs/dbraw/zinc/21/98/18/343219818.db2.gz NUSFLBYDAYGJLH-SSDOTTSWSA-N 1 0 198.335 2.819 10 0 AFAERO Cc1nc(C)c([C@H](C)[NH2+]C(C)C)s1 40517723 343219830 /nfs/dbraw/zinc/21/98/30/343219830.db2.gz NUSFLBYDAYGJLH-ZETCQYMHSA-N 1 0 198.335 2.819 10 0 AFAERO CC(C)c1nc2c(s1)[C@H]([NH3+])CCC2 40543767 343220050 /nfs/dbraw/zinc/22/00/50/343220050.db2.gz UIQYFJVNQNSQFF-SSDOTTSWSA-N 1 0 196.319 2.603 10 0 AFAERO Cc1nc(C(C)C)sc1[C@@H](C)[NH3+] 40543776 343220075 /nfs/dbraw/zinc/22/00/75/343220075.db2.gz HBRDRYKJYYMUEB-ZCFIWIBFSA-N 1 0 184.308 2.595 10 0 AFAERO CC[C@@H]([NH3+])CCSc1ccccc1 40542045 343220232 /nfs/dbraw/zinc/22/02/32/343220232.db2.gz VVEDDBFATXEOOX-SNVBAGLBSA-N 1 0 195.331 2.906 10 0 AFAERO Cc1ccc(SCC[C@H](C)[NH3+])cc1 40542053 343220260 /nfs/dbraw/zinc/22/02/60/343220260.db2.gz RFTRTTLZTPIWHH-JTQLQIEISA-N 1 0 195.331 2.824 10 0 AFAERO Cc1nc(C(C)C)sc1[C@H](C)[NH3+] 40543778 343220303 /nfs/dbraw/zinc/22/03/03/343220303.db2.gz HBRDRYKJYYMUEB-LURJTMIESA-N 1 0 184.308 2.595 10 0 AFAERO CC[C@@H](NC(C)=[NH2+])c1ccccc1 40835973 343223126 /nfs/dbraw/zinc/22/31/26/343223126.db2.gz RSYITLTUUACWQE-LLVKDONJSA-N 1 0 176.263 2.724 10 0 AFAERO CC(C)[N@H+](C)[C@@H](C)c1ccc(N)cc1 40908713 343224051 /nfs/dbraw/zinc/22/40/51/343224051.db2.gz NXJBLNFDEICCOL-JTQLQIEISA-N 1 0 192.306 2.670 10 0 AFAERO CC(C)[N@H+](C)[C@H](C)c1ccc(N)cc1 40908714 343224330 /nfs/dbraw/zinc/22/43/30/343224330.db2.gz NXJBLNFDEICCOL-SNVBAGLBSA-N 1 0 192.306 2.670 10 0 AFAERO CCCCC[NH2+]CC(C)(C)C 41043286 343226308 /nfs/dbraw/zinc/22/63/08/343226308.db2.gz CFOHPXICHIYLKA-UHFFFAOYSA-N 1 0 157.301 2.812 10 0 AFAERO CCCC[NH2+][C@@H]1C[C@H]2CC[C@@H]1C2 41047049 343226967 /nfs/dbraw/zinc/22/69/67/343226967.db2.gz JYALEGGFRISDRJ-HBNTYKKESA-N 1 0 167.296 2.565 10 0 AFAERO CCCCC[NH2+][C@H]1C[C@H]2CC[C@@H]1C2 41047044 343227119 /nfs/dbraw/zinc/22/71/19/343227119.db2.gz GOYUSDMNNAVPEX-TUAOUCFPSA-N 1 0 181.323 2.955 10 0 AFAERO CCCCC[NH2+][C@@H]1C[C@H]2CC[C@@H]1C2 41047043 343227261 /nfs/dbraw/zinc/22/72/61/343227261.db2.gz GOYUSDMNNAVPEX-QJPTWQEYSA-N 1 0 181.323 2.955 10 0 AFAERO CC[C@H](C)c1csc([C@@H](C)[NH3+])n1 41059213 343229611 /nfs/dbraw/zinc/22/96/11/343229611.db2.gz LDCDOFOMEUKOBA-NKWVEPMBSA-N 1 0 184.308 2.676 10 0 AFAERO CC[C@@](C)([NH3+])c1nc(C(C)C)cs1 41059557 343229627 /nfs/dbraw/zinc/22/96/27/343229627.db2.gz QYGXOFZBBLWFCN-SNVBAGLBSA-N 1 0 198.335 2.850 10 0 AFAERO CC[C@H](C)c1csc([C@H](C)[NH3+])n1 41059215 343229636 /nfs/dbraw/zinc/22/96/36/343229636.db2.gz LDCDOFOMEUKOBA-BQBZGAKWSA-N 1 0 184.308 2.676 10 0 AFAERO CCc1nc([C@@](C)([NH3+])CC)sc1C 41059543 343229638 /nfs/dbraw/zinc/22/96/38/343229638.db2.gz HQOCCYGISULWMN-JTQLQIEISA-N 1 0 198.335 2.598 10 0 AFAERO Cc1csc([C@](C)([NH3+])CC(C)C)n1 41059754 343229640 /nfs/dbraw/zinc/22/96/40/343229640.db2.gz OMWBEYBUFOHXEK-SNVBAGLBSA-N 1 0 198.335 2.672 10 0 AFAERO CCc1nc([C@H]([NH3+])C(C)C)sc1C 41059378 343229655 /nfs/dbraw/zinc/22/96/55/343229655.db2.gz KRQMKYJUOKOHKN-SECBINFHSA-N 1 0 198.335 2.670 10 0 AFAERO CC(C)c1csc([C@@H]([NH3+])C2CC2)n1 41059441 343229659 /nfs/dbraw/zinc/22/96/59/343229659.db2.gz SXKUEQOYIJELFH-VIFPVBQESA-N 1 0 196.319 2.676 10 0 AFAERO C[NH2+]C1(c2nccs2)CCCCC1 41060394 343229663 /nfs/dbraw/zinc/22/96/63/343229663.db2.gz IGJALEKPZKHGAY-UHFFFAOYSA-N 1 0 196.319 2.522 10 0 AFAERO CC(C)c1csc([C@H]([NH3+])C2CC2)n1 41059440 343229671 /nfs/dbraw/zinc/22/96/71/343229671.db2.gz SXKUEQOYIJELFH-SECBINFHSA-N 1 0 196.319 2.676 10 0 AFAERO CC[C@]([NH3+])(c1nc(C)cs1)C(C)C 41059800 343229734 /nfs/dbraw/zinc/22/97/34/343229734.db2.gz MJIQZPYWHANSLZ-SNVBAGLBSA-N 1 0 198.335 2.672 10 0 AFAERO Cc1nc([C@H]([NH3+])C(C)(C)C)sc1C 41059697 343229747 /nfs/dbraw/zinc/22/97/47/343229747.db2.gz OWMVZHCPRDAIFB-QMMMGPOBSA-N 1 0 198.335 2.806 10 0 AFAERO CC(C)[NH2+]C1(c2nccs2)CCC1 41061554 343229772 /nfs/dbraw/zinc/22/97/72/343229772.db2.gz CLSGXICCTCLFDL-UHFFFAOYSA-N 1 0 196.319 2.520 10 0 AFAERO CC[C@@]([NH3+])(c1nc(C)cs1)C(C)C 41059799 343229777 /nfs/dbraw/zinc/22/97/77/343229777.db2.gz MJIQZPYWHANSLZ-JTQLQIEISA-N 1 0 198.335 2.672 10 0 AFAERO Cc1csc([C@@](C)([NH3+])CC(C)C)n1 41059755 343229780 /nfs/dbraw/zinc/22/97/80/343229780.db2.gz OMWBEYBUFOHXEK-JTQLQIEISA-N 1 0 198.335 2.672 10 0 AFAERO C[C@H]1CCCC[C@]1([NH3+])c1nccs1 41059858 343229789 /nfs/dbraw/zinc/22/97/89/343229789.db2.gz HIHFJDGBPQLRBJ-WCBMZHEXSA-N 1 0 196.319 2.507 10 0 AFAERO C[C@H]1CCC[C@]([NH3+])(c2nccs2)C1 41059645 343229810 /nfs/dbraw/zinc/22/98/10/343229810.db2.gz OYDWQXHCPZMWDU-WCBMZHEXSA-N 1 0 196.319 2.507 10 0 AFAERO CC[C@H](C)[C@](C)([NH3+])c1nc(C)cs1 41059796 343229824 /nfs/dbraw/zinc/22/98/24/343229824.db2.gz IQSUCWJLHOXUGL-XVKPBYJWSA-N 1 0 198.335 2.672 10 0 AFAERO Cc1nc([C@@](C)([NH3+])C(C)C)sc1C 41059984 343229831 /nfs/dbraw/zinc/22/98/31/343229831.db2.gz FQLROOMITVNTKK-JTQLQIEISA-N 1 0 198.335 2.590 10 0 AFAERO CC[C@@H]([NH3+])c1nc(C(C)C)c(C)s1 41059289 343229841 /nfs/dbraw/zinc/22/98/41/343229841.db2.gz SCDXHXDSYNRTMD-MRVPVSSYSA-N 1 0 198.335 2.985 10 0 AFAERO CCc1nc([C@@H]([NH3+])C(C)C)sc1C 41059379 343229868 /nfs/dbraw/zinc/22/98/68/343229868.db2.gz KRQMKYJUOKOHKN-VIFPVBQESA-N 1 0 198.335 2.670 10 0 AFAERO Cc1nc([C@](C)([NH3+])C(C)C)sc1C 41059983 343229876 /nfs/dbraw/zinc/22/98/76/343229876.db2.gz FQLROOMITVNTKK-SNVBAGLBSA-N 1 0 198.335 2.590 10 0 AFAERO CCc1nc([C@](C)([NH3+])CC)sc1C 41059542 343229884 /nfs/dbraw/zinc/22/98/84/343229884.db2.gz HQOCCYGISULWMN-SNVBAGLBSA-N 1 0 198.335 2.598 10 0 AFAERO CC1CCC([NH3+])(c2nccs2)CC1 41059630 343229891 /nfs/dbraw/zinc/22/98/91/343229891.db2.gz MGEMWFPXKATPEA-UHFFFAOYSA-N 1 0 196.319 2.507 10 0 AFAERO CC[C@H](C)[C@@](C)([NH3+])c1nc(C)cs1 41059798 343229898 /nfs/dbraw/zinc/22/98/98/343229898.db2.gz IQSUCWJLHOXUGL-OIBJUYFYSA-N 1 0 198.335 2.672 10 0 AFAERO CC[C@](C)([NH3+])c1nc(C(C)C)cs1 41059556 343229929 /nfs/dbraw/zinc/22/99/29/343229929.db2.gz QYGXOFZBBLWFCN-JTQLQIEISA-N 1 0 198.335 2.850 10 0 AFAERO Cc1nc([C@H](C)[NH2+]C(C)C)sc1C 41061668 343229982 /nfs/dbraw/zinc/22/99/82/343229982.db2.gz JJOXRTQIGKGEFC-QMMMGPOBSA-N 1 0 198.335 2.819 10 0 AFAERO Cc1csc(C(C)(C)[NH2+]C(C)C)n1 41061607 343230044 /nfs/dbraw/zinc/23/00/44/343230044.db2.gz GLUVLDWFHOOHHO-UHFFFAOYSA-N 1 0 198.335 2.685 10 0 AFAERO Cc1nc([C@@H](C)[NH2+]C2CC2)sc1C 41061901 343230160 /nfs/dbraw/zinc/23/01/60/343230160.db2.gz WGBLGXXCGDEJLF-SSDOTTSWSA-N 1 0 196.319 2.573 10 0 AFAERO Cc1nc([C@@H](C)[NH2+]C(C)C)sc1C 41061667 343230169 /nfs/dbraw/zinc/23/01/69/343230169.db2.gz JJOXRTQIGKGEFC-MRVPVSSYSA-N 1 0 198.335 2.819 10 0 AFAERO Cc1csc([C@H](C)[NH2+]C(C)C)n1 41061619 343230187 /nfs/dbraw/zinc/23/01/87/343230187.db2.gz NSHMVEFJOFFJOM-QMMMGPOBSA-N 1 0 184.308 2.511 10 0 AFAERO Cc1csc([C@@H](C)[NH2+]C(C)C)n1 41061618 343230210 /nfs/dbraw/zinc/23/02/10/343230210.db2.gz NSHMVEFJOFFJOM-MRVPVSSYSA-N 1 0 184.308 2.511 10 0 AFAERO Cc1nc([C@H](C)[NH2+]C2CC2)sc1C 41061902 343230224 /nfs/dbraw/zinc/23/02/24/343230224.db2.gz WGBLGXXCGDEJLF-ZETCQYMHSA-N 1 0 196.319 2.573 10 0 AFAERO Cc1cc(C)c2c(c1)[C@H]([NH3+])C[C@H]2C 41199422 343231397 /nfs/dbraw/zinc/23/13/97/343231397.db2.gz ILWSCUPEDQXIBR-MWLCHTKSSA-N 1 0 175.275 2.810 10 0 AFAERO Cc1cc(C)c([C@H](C)C[NH3+])c(C)c1 41200114 343231401 /nfs/dbraw/zinc/23/14/01/343231401.db2.gz OVRBXABKMLTOQQ-LLVKDONJSA-N 1 0 177.291 2.674 10 0 AFAERO Cc1ccc(C(C)(C)CC[NH3+])cc1 41200039 343231406 /nfs/dbraw/zinc/23/14/06/343231406.db2.gz NKLPGFSKIORDKZ-UHFFFAOYSA-N 1 0 177.291 2.621 10 0 AFAERO Cc1cc(C)c2c(c1)[C@@H]([NH3+])C[C@H]2C 41199425 343231413 /nfs/dbraw/zinc/23/14/13/343231413.db2.gz ILWSCUPEDQXIBR-KOLCDFICSA-N 1 0 175.275 2.810 10 0 AFAERO CCc1ccc2c(c1)[C@H]([NH3+])C[C@H]2C 41199411 343231464 /nfs/dbraw/zinc/23/14/64/343231464.db2.gz GVZNQVUFQUGVNT-PRHODGIISA-N 1 0 175.275 2.756 10 0 AFAERO Cc1ccc(C)c2c1[C@@H](C)C[C@@H]2[NH3+] 41199431 343231471 /nfs/dbraw/zinc/23/14/71/343231471.db2.gz GRPMNNFPAWJZRA-UWVGGRQHSA-N 1 0 175.275 2.810 10 0 AFAERO Cc1cc(C)c([C@@H](C)C[NH3+])c(C)c1 41200111 343231491 /nfs/dbraw/zinc/23/14/91/343231491.db2.gz OVRBXABKMLTOQQ-NSHDSACASA-N 1 0 177.291 2.674 10 0 AFAERO CCc1ccc2c(c1)[C@@H]([NH3+])C[C@H]2C 41199413 343231493 /nfs/dbraw/zinc/23/14/93/343231493.db2.gz GVZNQVUFQUGVNT-PELKAZGASA-N 1 0 175.275 2.756 10 0 AFAERO Cc1ccc(C)c2c1[C@@H](C)C[C@H]2[NH3+] 41199437 343231495 /nfs/dbraw/zinc/23/14/95/343231495.db2.gz GRPMNNFPAWJZRA-VHSXEESVSA-N 1 0 175.275 2.810 10 0 AFAERO Cc1cccc(C(C)(C)CC[NH3+])c1 41200027 343231498 /nfs/dbraw/zinc/23/14/98/343231498.db2.gz JDXJZQJROMEOCM-UHFFFAOYSA-N 1 0 177.291 2.621 10 0 AFAERO CCc1ccc2c(c1)[C@@H]([NH3+])C[C@@H]2C 41199408 343231512 /nfs/dbraw/zinc/23/15/12/343231512.db2.gz GVZNQVUFQUGVNT-UFBFGSQYSA-N 1 0 175.275 2.756 10 0 AFAERO Cc1cc(C)c2c(c1)[C@@H]([NH3+])C[C@@H]2C 41199419 343231527 /nfs/dbraw/zinc/23/15/27/343231527.db2.gz ILWSCUPEDQXIBR-ONGXEEELSA-N 1 0 175.275 2.810 10 0 AFAERO Cc1cc(C)c(CCC[NH3+])c(C)c1 41200108 343231531 /nfs/dbraw/zinc/23/15/31/343231531.db2.gz BOCFIVKZFLDQCX-UHFFFAOYSA-N 1 0 177.291 2.503 10 0 AFAERO Cc1cccc([C@@H]([NH3+])C(C)C)c1C 41200186 343231578 /nfs/dbraw/zinc/23/15/78/343231578.db2.gz DNNSVCPCKYOITO-LBPRGKRZSA-N 1 0 177.291 2.959 10 0 AFAERO Cc1cc(C)cc([C@@H](C)CC[NH3+])c1 41200171 343231580 /nfs/dbraw/zinc/23/15/80/343231580.db2.gz ZANGGGIGXIQCBY-NSHDSACASA-N 1 0 177.291 2.756 10 0 AFAERO Cc1ccc(C)c2c1[C@H](C)C[C@H]2[NH3+] 41199434 343231586 /nfs/dbraw/zinc/23/15/86/343231586.db2.gz GRPMNNFPAWJZRA-NXEZZACHSA-N 1 0 175.275 2.810 10 0 AFAERO CC(C)[C@H]([NH3+])c1cc(F)cc(F)c1 41202999 343231725 /nfs/dbraw/zinc/23/17/25/343231725.db2.gz CPILDHDQCUHADV-JTQLQIEISA-N 1 0 185.217 2.621 10 0 AFAERO Cc1cccc([C@H]([NH3+])c2ccco2)c1 41203783 343231757 /nfs/dbraw/zinc/23/17/57/343231757.db2.gz UNOILKRRZFAJSR-LBPRGKRZSA-N 1 0 187.242 2.636 10 0 AFAERO CC[C@H](C[NH3+])c1cccc(Cl)c1 41202515 343231780 /nfs/dbraw/zinc/23/17/80/343231780.db2.gz ZJWBQNGBLANTHD-MRVPVSSYSA-N 1 0 183.682 2.792 10 0 AFAERO CC[C@@H](C[NH3+])c1cccc(Cl)c1 41202512 343231804 /nfs/dbraw/zinc/23/18/04/343231804.db2.gz ZJWBQNGBLANTHD-QMMMGPOBSA-N 1 0 183.682 2.792 10 0 AFAERO C[C@H]1Cc2ccc(Cl)cc2[C@H]1[NH3+] 41201917 343231812 /nfs/dbraw/zinc/23/18/12/343231812.db2.gz WWQUUQBVCICTEV-WKEGUHRASA-N 1 0 181.666 2.532 10 0 AFAERO C[C@H](CC[NH3+])c1cccc(Cl)c1 41202521 343231838 /nfs/dbraw/zinc/23/18/38/343231838.db2.gz DKPPEDKATRTMDP-MRVPVSSYSA-N 1 0 183.682 2.792 10 0 AFAERO Cc1cccc([C@@H]([NH3+])c2ccco2)c1 41203786 343231860 /nfs/dbraw/zinc/23/18/60/343231860.db2.gz UNOILKRRZFAJSR-GFCCVEGCSA-N 1 0 187.242 2.636 10 0 AFAERO C[C@H]1Cc2ccc(Cl)cc2[C@@H]1[NH3+] 41201912 343231931 /nfs/dbraw/zinc/23/19/31/343231931.db2.gz WWQUUQBVCICTEV-QUBYGPBYSA-N 1 0 181.666 2.532 10 0 AFAERO CC[N@@H+](Cc1ccccc1)CC1CC1 41204804 343232133 /nfs/dbraw/zinc/23/21/33/343232133.db2.gz ZMIYEMHESNWTDE-UHFFFAOYSA-N 1 0 189.302 2.919 10 0 AFAERO Cc1ccc(C(C)(C)CC[NH3+])c(C)c1 41205695 343232221 /nfs/dbraw/zinc/23/22/21/343232221.db2.gz FFENFJHGHNKYHW-UHFFFAOYSA-N 1 0 191.318 2.930 10 0 AFAERO C[C@H](CC[NH3+])c1ccc(Cl)s1 41204936 343232342 /nfs/dbraw/zinc/23/23/42/343232342.db2.gz MUSZUWRJUCALFB-ZCFIWIBFSA-N 1 0 189.711 2.854 10 0 AFAERO Cc1cccc(CC[C@H]2CCC[NH2+]2)c1 41204830 343232351 /nfs/dbraw/zinc/23/23/51/343232351.db2.gz DXKPGPKUCGGVCR-CYBMUJFWSA-N 1 0 189.302 2.680 10 0 AFAERO C[NH2+]CC(C)(C)c1ccccc1Cl 41209246 343232563 /nfs/dbraw/zinc/23/25/63/343232563.db2.gz HUCAZLFDJQRFKW-UHFFFAOYSA-N 1 0 197.709 2.837 10 0 AFAERO C[NH2+]CC(C)(C)c1cccc(Cl)c1 41209254 343232812 /nfs/dbraw/zinc/23/28/12/343232812.db2.gz RGUQKWWQVNUAEV-UHFFFAOYSA-N 1 0 197.709 2.837 10 0 AFAERO Cc1cc2c(n1C(C)C)CCC[C@@H]2[NH3+] 41726954 343235958 /nfs/dbraw/zinc/23/59/58/343235958.db2.gz RDPZQCBJNFYYPC-NSHDSACASA-N 1 0 192.306 2.714 10 0 AFAERO C[C@H]([NH3+])[C@H](C)CC1CCCC1 42011489 343235993 /nfs/dbraw/zinc/23/59/93/343235993.db2.gz MJLQTUCYCOEPDZ-BDAKNGLRSA-N 1 0 155.285 2.550 10 0 AFAERO Cc1cc2c(n1C(C)C)CCC[C@H]2[NH3+] 41726960 343236001 /nfs/dbraw/zinc/23/60/01/343236001.db2.gz RDPZQCBJNFYYPC-LLVKDONJSA-N 1 0 192.306 2.714 10 0 AFAERO C[C@H]([NH3+])[C@@H](C)CC1CCCC1 42011487 343236142 /nfs/dbraw/zinc/23/61/42/343236142.db2.gz MJLQTUCYCOEPDZ-IUCAKERBSA-N 1 0 155.285 2.550 10 0 AFAERO CC1([NH2+]C2CCCC2)CCCC1 42176327 343237533 /nfs/dbraw/zinc/23/75/33/343237533.db2.gz MJEZHVHWKNUATB-UHFFFAOYSA-N 1 0 167.296 2.851 10 0 AFAERO CC[C@H](C)[NH2+]C1(C)CCCC1 42176608 343237554 /nfs/dbraw/zinc/23/75/54/343237554.db2.gz APYVEMPULIHGQC-VIFPVBQESA-N 1 0 155.285 2.707 10 0 AFAERO CC(C)Oc1ccc(C[NH3+])cc1Cl 42303273 343240201 /nfs/dbraw/zinc/24/02/01/343240201.db2.gz IMVIKRQERQOQKJ-UHFFFAOYSA-N 1 0 199.681 2.586 10 0 AFAERO CCCC[C@@H]1CCCC[C@@H]1[NH3+] 42401802 343241374 /nfs/dbraw/zinc/24/13/74/343241374.db2.gz PGODEPBGDLUZCM-ZJUUUORDSA-N 1 0 155.285 2.694 10 0 AFAERO CCCC[C@H]1CCCC[C@@H]1[NH3+] 42401807 343241498 /nfs/dbraw/zinc/24/14/98/343241498.db2.gz PGODEPBGDLUZCM-UWVGGRQHSA-N 1 0 155.285 2.694 10 0 AFAERO CCCC[C@H]1CCCC[C@H]1[NH3+] 42401815 343241665 /nfs/dbraw/zinc/24/16/65/343241665.db2.gz PGODEPBGDLUZCM-VHSXEESVSA-N 1 0 155.285 2.694 10 0 AFAERO CC[C@H](C)[C@H](C)Nc1cc[nH+]cc1 42557408 343247339 /nfs/dbraw/zinc/24/73/39/343247339.db2.gz VAMACEXAJASRDI-UWVGGRQHSA-N 1 0 178.279 2.928 10 0 AFAERO CC[C@@H]([NH2+]Cc1cscn1)C(C)C 42586484 343247761 /nfs/dbraw/zinc/24/77/61/343247761.db2.gz XBIRXMLZTMHGAE-SNVBAGLBSA-N 1 0 198.335 2.667 10 0 AFAERO CC[C@@H](Nc1cc[nH+]cc1N)C(C)C 42586665 343247829 /nfs/dbraw/zinc/24/78/29/343247829.db2.gz CTPIOVQVMUFNFH-SNVBAGLBSA-N 1 0 193.294 2.510 10 0 AFAERO CC[C@H](Nc1cc[nH+]cc1N)C(C)C 42586663 343247897 /nfs/dbraw/zinc/24/78/97/343247897.db2.gz CTPIOVQVMUFNFH-JTQLQIEISA-N 1 0 193.294 2.510 10 0 AFAERO CC[C@@H](Nc1cc[nH+]cc1)C(C)C 42591201 343248613 /nfs/dbraw/zinc/24/86/13/343248613.db2.gz SWHRZDPZKBAMPN-LLVKDONJSA-N 1 0 178.279 2.928 10 0 AFAERO CC[C@@H]([NH2+]C)c1sccc1C 42729331 343248799 /nfs/dbraw/zinc/24/87/99/343248799.db2.gz BGOUSRHJQQNCHY-MRVPVSSYSA-N 1 0 169.293 2.727 10 0 AFAERO Cc1ccsc1[C@H]([NH3+])[C@@H]1C[C@@H]1C 42728804 343248835 /nfs/dbraw/zinc/24/88/35/343248835.db2.gz WUJFITRGMJWIOL-DJLDLDEBSA-N 1 0 181.304 2.712 10 0 AFAERO CC[C@H]([NH2+]C)c1sccc1C 42729328 343249041 /nfs/dbraw/zinc/24/90/41/343249041.db2.gz BGOUSRHJQQNCHY-QMMMGPOBSA-N 1 0 169.293 2.727 10 0 AFAERO Cc1ccsc1[C@@H]([NH3+])c1ccoc1 42728724 343249102 /nfs/dbraw/zinc/24/91/02/343249102.db2.gz WNODDJBHVCLPAH-VIFPVBQESA-N 1 0 193.271 2.698 10 0 AFAERO C[C@H]1CCCC[C@@H]1CN1CCCC1=[NH2+] 42864602 343249956 /nfs/dbraw/zinc/24/99/56/343249956.db2.gz BFTZQMFANRYTAF-WDEREUQCSA-N 1 0 194.322 2.886 10 0 AFAERO CC(C)[NH2+]C[C@@H]1CCCC[C@@H]1C 42856664 343249969 /nfs/dbraw/zinc/24/99/69/343249969.db2.gz AWFGNTAVHOXDLO-QWRGUYRKSA-N 1 0 169.312 2.811 10 0 AFAERO C[C@@H]1CCCC[C@@H]1CN1CCCC1=[NH2+] 42864600 343250213 /nfs/dbraw/zinc/25/02/13/343250213.db2.gz BFTZQMFANRYTAF-GHMZBOCLSA-N 1 0 194.322 2.886 10 0 AFAERO CC[C@@H]([NH3+])c1cc(F)c(F)c(F)c1 43392157 343251720 /nfs/dbraw/zinc/25/17/20/343251720.db2.gz IOABMNGPNFPERE-MRVPVSSYSA-N 1 0 189.180 2.514 10 0 AFAERO CC[C@@H]([NH2+]C)c1cc(F)cc(F)c1 43387918 343251782 /nfs/dbraw/zinc/25/17/82/343251782.db2.gz KSRZHQCKAHZDTH-SNVBAGLBSA-N 1 0 185.217 2.635 10 0 AFAERO CC[C@H]([NH3+])c1cc(F)c(F)c(F)c1 43392155 343251813 /nfs/dbraw/zinc/25/18/13/343251813.db2.gz IOABMNGPNFPERE-QMMMGPOBSA-N 1 0 189.180 2.514 10 0 AFAERO CC[C@@](C)([NH3+])Cc1cc(F)ccc1F 43459317 343252440 /nfs/dbraw/zinc/25/24/40/343252440.db2.gz BLZIYSIZLMXVFL-LLVKDONJSA-N 1 0 199.244 2.635 10 0 AFAERO Cc1ccc(S[C@@H](C)C[NH3+])c(C)c1 43514657 343253189 /nfs/dbraw/zinc/25/31/89/343253189.db2.gz TUNUCEIKKUUQCD-JTQLQIEISA-N 1 0 195.331 2.743 10 0 AFAERO Cc1ccc(C)c(S[C@H](C)C[NH3+])c1 43514708 343253242 /nfs/dbraw/zinc/25/32/42/343253242.db2.gz AQYTXQJSLXXGFR-SNVBAGLBSA-N 1 0 195.331 2.743 10 0 AFAERO Cc1ccc(C)c(S[C@@H](C)C[NH3+])c1 43514707 343253295 /nfs/dbraw/zinc/25/32/95/343253295.db2.gz AQYTXQJSLXXGFR-JTQLQIEISA-N 1 0 195.331 2.743 10 0 AFAERO C[C@H](CC[NH3+])c1cc2ccccc2o1 43559418 343255518 /nfs/dbraw/zinc/25/55/18/343255518.db2.gz WHESZYSMCCHNOZ-SECBINFHSA-N 1 0 189.258 2.885 10 0 AFAERO Cc1cc[nH+]c(NCC2CCCC2)c1 43561447 343255571 /nfs/dbraw/zinc/25/55/71/343255571.db2.gz IAMOKASAIGVXHN-UHFFFAOYSA-N 1 0 190.290 2.992 10 0 AFAERO CCC1CCC(CC[NH3+])CC1 43559356 343255644 /nfs/dbraw/zinc/25/56/44/343255644.db2.gz VKHWANDPSJJSHA-UHFFFAOYSA-N 1 0 155.285 2.552 10 0 AFAERO CC[C@H](C)[C@H](C)Nc1cc(N)cc[nH+]1 43569127 343256108 /nfs/dbraw/zinc/25/61/08/343256108.db2.gz QCOZLSWKRBJABF-IUCAKERBSA-N 1 0 193.294 2.510 10 0 AFAERO CC[C@@H](Nc1cc(N)cc[nH+]1)C(C)C 43569144 343256162 /nfs/dbraw/zinc/25/61/62/343256162.db2.gz GVUBDCWGUQGHFB-SNVBAGLBSA-N 1 0 193.294 2.510 10 0 AFAERO Cc1cc([C@H]([NH3+])C2CCC2)c(C)o1 43611236 343256405 /nfs/dbraw/zinc/25/64/05/343256405.db2.gz GWXVWGPPIRNAKX-LLVKDONJSA-N 1 0 179.263 2.696 10 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CC(C)[C@@]1(c2cccs2)C[C@@H]1C[NH3+] 54587888 343326832 /nfs/dbraw/zinc/32/68/32/343326832.db2.gz JNGPMRBTSJGFGF-KOLCDFICSA-N 1 0 195.331 2.621 10 0 AFAERO C[C@@H]1CCCC[C@@]12C[C@@H]2C[NH2+]C1CC1 54596514 343326839 /nfs/dbraw/zinc/32/68/39/343326839.db2.gz KATIRSNSARAEQJ-NQBHXWOUSA-N 1 0 193.334 2.955 10 0 AFAERO CC[C@@H]1C[C@H](C(C)C)CC[C@@H]1[NH3+] 54630415 343326952 /nfs/dbraw/zinc/32/69/52/343326952.db2.gz PIEVMRQYCWZVNV-MXWKQRLJSA-N 1 0 169.312 2.796 10 0 AFAERO CC[C@@H]1C[C@@H](C(C)C)CC[C@@H]1[NH3+] 54630418 343326963 /nfs/dbraw/zinc/32/69/63/343326963.db2.gz PIEVMRQYCWZVNV-VWYCJHECSA-N 1 0 169.312 2.796 10 0 AFAERO CCC1(C[NH2+]C)CCCCC1 54654700 343327278 /nfs/dbraw/zinc/32/72/78/343327278.db2.gz CUDOZZFYKRHMFK-UHFFFAOYSA-N 1 0 155.285 2.566 10 0 AFAERO c1ccc([C@@H]2[NH2+]CC[C@H]2C2CC2)cc1 54684079 343327286 /nfs/dbraw/zinc/32/72/86/343327286.db2.gz BRZPYUQWEJUVTH-STQMWFEESA-N 1 0 187.286 2.747 10 0 AFAERO c1ccc([C@H]2[NH2+]CC[C@@H]2C2CC2)cc1 54684081 343327356 /nfs/dbraw/zinc/32/73/56/343327356.db2.gz BRZPYUQWEJUVTH-CHWSQXEVSA-N 1 0 187.286 2.747 10 0 AFAERO CC(C)CC1(C[NH3+])CCCCC1 54635364 343327420 /nfs/dbraw/zinc/32/74/20/343327420.db2.gz NIFOJHHJBUFQFR-UHFFFAOYSA-N 1 0 169.312 2.942 10 0 AFAERO CC[C@]1(C[NH3+])CCCc2ccccc21 54637373 343327437 /nfs/dbraw/zinc/32/74/37/343327437.db2.gz ZZSSOMMEIBXRGJ-CYBMUJFWSA-N 1 0 189.302 2.629 10 0 AFAERO C[C@@H]1CCC[C@@H](S[C@@H]2CC[NH2+]C2)C1 54694868 343327806 /nfs/dbraw/zinc/32/78/06/343327806.db2.gz ARDNSXVILXMCIZ-GMTAPVOTSA-N 1 0 199.363 2.660 10 0 AFAERO C[C@@H]1CCC[C@H](S[C@@H]2CC[NH2+]C2)C1 54694864 343327817 /nfs/dbraw/zinc/32/78/17/343327817.db2.gz ARDNSXVILXMCIZ-OUAUKWLOSA-N 1 0 199.363 2.660 10 0 AFAERO C[NH2+][C@@H]1CCCc2ccc(Cl)cc21 54742526 343328119 /nfs/dbraw/zinc/32/81/19/343328119.db2.gz BOWJWWVXMHWYOY-LLVKDONJSA-N 1 0 195.693 2.937 10 0 AFAERO C[NH2+][C@@H]1CCCc2c(C)ccc(C)c21 54741907 343328135 /nfs/dbraw/zinc/32/81/35/343328135.db2.gz BVDXECGGBGIOHX-GFCCVEGCSA-N 1 0 189.302 2.900 10 0 AFAERO CCCc1ccc2c(c1)[C@@H]([NH3+])CCC2 54742821 343328200 /nfs/dbraw/zinc/32/82/00/343328200.db2.gz HLNMPXSLGASRAF-ZDUSSCGKSA-N 1 0 189.302 2.975 10 0 AFAERO C[NH2+][C@H]1CCCc2ccc(Cl)cc21 54742527 343328215 /nfs/dbraw/zinc/32/82/15/343328215.db2.gz BOWJWWVXMHWYOY-NSHDSACASA-N 1 0 195.693 2.937 10 0 AFAERO C[NH2+][C@@H]1CCCc2c(C)cc(C)cc21 54741888 343328235 /nfs/dbraw/zinc/32/82/35/343328235.db2.gz GJQCZKLDPABHED-CYBMUJFWSA-N 1 0 189.302 2.900 10 0 AFAERO CCc1ccc2c(c1)[C@H]([NH2+]C)CCC2 54742608 343328236 /nfs/dbraw/zinc/32/82/36/343328236.db2.gz RFJGCFHHCWRJKI-CYBMUJFWSA-N 1 0 189.302 2.846 10 0 AFAERO C[NH2+][C@H]1CCCc2c(C)ccc(C)c21 54741906 343328251 /nfs/dbraw/zinc/32/82/51/343328251.db2.gz BVDXECGGBGIOHX-LBPRGKRZSA-N 1 0 189.302 2.900 10 0 AFAERO CC[C@H](C)SC1CCC([NH3+])CC1 55143759 343334006 /nfs/dbraw/zinc/33/40/06/343334006.db2.gz XAOFDTBIDKRGKG-IDKOKCKLSA-N 1 0 187.352 2.788 10 0 AFAERO CC1=C[C@]23C=CC=CC2=C[NH+]=C3C=C1 55167637 343334462 /nfs/dbraw/zinc/33/44/62/343334462.db2.gz ZJZZHUIUACAILK-CYBMUJFWSA-N 1 0 181.238 2.953 10 0 AFAERO CC[C@@](C)([NH3+])c1cc(F)cc(F)c1 55196933 343334469 /nfs/dbraw/zinc/33/44/69/343334469.db2.gz JOJNRBLCPFIBBN-SNVBAGLBSA-N 1 0 185.217 2.549 10 0 AFAERO CC[C@](C)([NH3+])c1cc(F)cc(F)c1 55196930 343334500 /nfs/dbraw/zinc/33/45/00/343334500.db2.gz JOJNRBLCPFIBBN-JTQLQIEISA-N 1 0 185.217 2.549 10 0 AFAERO CC[C@@](C)([NH3+])c1ccc(F)c(C)c1 55196979 343334527 /nfs/dbraw/zinc/33/45/27/343334527.db2.gz KEQOQVZZCRTJIA-LLVKDONJSA-N 1 0 181.254 2.718 10 0 AFAERO CC[C@](C)([NH3+])c1ccc(F)cc1C 55196962 343334530 /nfs/dbraw/zinc/33/45/30/343334530.db2.gz RGWYWUBYLRDSIR-NSHDSACASA-N 1 0 181.254 2.718 10 0 AFAERO Cc1cc(F)ccc1C1([NH3+])CCCC1 55193864 343334546 /nfs/dbraw/zinc/33/45/46/343334546.db2.gz JMAFITKSHIYBAR-UHFFFAOYSA-N 1 0 193.265 2.862 10 0 AFAERO CC[C@](C)([NH3+])c1ccc(F)c(C)c1 55196974 343334589 /nfs/dbraw/zinc/33/45/89/343334589.db2.gz KEQOQVZZCRTJIA-NSHDSACASA-N 1 0 181.254 2.718 10 0 AFAERO CC[C@@](C)([NH3+])c1cc(F)ccc1C 55196949 343334597 /nfs/dbraw/zinc/33/45/97/343334597.db2.gz YOWLRVJXIFHFIK-LLVKDONJSA-N 1 0 181.254 2.718 10 0 AFAERO Cc1ccc(F)c(C2([NH3+])CCCC2)c1 55193871 343334637 /nfs/dbraw/zinc/33/46/37/343334637.db2.gz AURCIMMHIIGWGN-UHFFFAOYSA-N 1 0 193.265 2.862 10 0 AFAERO CC1=C[C@@]23C=CC=CC2=C[NH+]=C3C=C1 55167635 343334717 /nfs/dbraw/zinc/33/47/17/343334717.db2.gz ZJZZHUIUACAILK-ZDUSSCGKSA-N 1 0 181.238 2.953 10 0 AFAERO Cc1cc([C@H]2CCC[C@@H]2[NH3+])ccc1F 55231165 343334818 /nfs/dbraw/zinc/33/48/18/343334818.db2.gz GVHHHRYTWTYDTD-PWSUYJOCSA-N 1 0 193.265 2.729 10 0 AFAERO Cc1cc([C@@](C)([NH3+])C(C)C)ccc1F 55197205 343334823 /nfs/dbraw/zinc/33/48/23/343334823.db2.gz WXVRTAXPBQBMSJ-LBPRGKRZSA-N 1 0 195.281 2.964 10 0 AFAERO CCC[C@H]([NH3+])c1cc(C)ccc1F 55222616 343334827 /nfs/dbraw/zinc/33/48/27/343334827.db2.gz HINXWOHGFMTIFG-NSHDSACASA-N 1 0 181.254 2.934 10 0 AFAERO C[NH2+][C@@H](c1cc(F)ccc1C)C1CC1 55224327 343334829 /nfs/dbraw/zinc/33/48/29/343334829.db2.gz QXFSZOJAYMWULH-GFCCVEGCSA-N 1 0 193.265 2.805 10 0 AFAERO CCC[C@@H]([NH3+])c1cc(C)ccc1F 55222618 343334831 /nfs/dbraw/zinc/33/48/31/343334831.db2.gz HINXWOHGFMTIFG-LLVKDONJSA-N 1 0 181.254 2.934 10 0 AFAERO Cc1cc(F)ccc1[C@](C)([NH3+])C(C)C 55197193 343334835 /nfs/dbraw/zinc/33/48/35/343334835.db2.gz JHOXEZSGJKGQRI-GFCCVEGCSA-N 1 0 195.281 2.964 10 0 AFAERO C[NH2+][C@H](c1cc(F)ccc1C)C1CC1 55224329 343334840 /nfs/dbraw/zinc/33/48/40/343334840.db2.gz QXFSZOJAYMWULH-LBPRGKRZSA-N 1 0 193.265 2.805 10 0 AFAERO CC[C@H]([NH2+]C)c1cc(C)ccc1F 55224073 343334917 /nfs/dbraw/zinc/33/49/17/343334917.db2.gz QEHONRUSEHDPMQ-NSHDSACASA-N 1 0 181.254 2.805 10 0 AFAERO Cc1cc(F)ccc1[C@@H]1CCC[C@H]1[NH3+] 55231161 343334922 /nfs/dbraw/zinc/33/49/22/343334922.db2.gz RCSYRNVJXSOYPD-NWDGAFQWSA-N 1 0 193.265 2.729 10 0 AFAERO Cc1cc([C@@H]2CCC[C@H]2[NH3+])ccc1F 55231166 343334927 /nfs/dbraw/zinc/33/49/27/343334927.db2.gz GVHHHRYTWTYDTD-CMPLNLGQSA-N 1 0 193.265 2.729 10 0 AFAERO Cc1cc([C@](C)([NH3+])C(C)C)ccc1F 55197200 343334930 /nfs/dbraw/zinc/33/49/30/343334930.db2.gz WXVRTAXPBQBMSJ-GFCCVEGCSA-N 1 0 195.281 2.964 10 0 AFAERO Cc1cc(F)ccc1[C@H]1CCC[C@@H]1[NH3+] 55231160 343334935 /nfs/dbraw/zinc/33/49/35/343334935.db2.gz RCSYRNVJXSOYPD-NEPJUHHUSA-N 1 0 193.265 2.729 10 0 AFAERO C[NH2+][C@@H](c1ccc(F)c(C)c1)C1CC1 55224338 343334938 /nfs/dbraw/zinc/33/49/38/343334938.db2.gz NWGFPULAIAYWGW-GFCCVEGCSA-N 1 0 193.265 2.805 10 0 AFAERO CC[C@](C)([NH3+])c1ccc(C)cc1C 55235613 343335153 /nfs/dbraw/zinc/33/51/53/343335153.db2.gz DMBHYYPNNWAKKX-LBPRGKRZSA-N 1 0 177.291 2.887 10 0 AFAERO CC[C@](C)([NH3+])c1ccc(F)cc1F 55238444 343335179 /nfs/dbraw/zinc/33/51/79/343335179.db2.gz MSLVUBWYPUKVAL-JTQLQIEISA-N 1 0 185.217 2.549 10 0 AFAERO CCC([NH3+])(CC)c1cc(F)ccc1F 55242780 343335181 /nfs/dbraw/zinc/33/51/81/343335181.db2.gz IEOJZKRQFGBIBV-UHFFFAOYSA-N 1 0 199.244 2.939 10 0 AFAERO CCC[C@H]([NH3+])c1ccccc1OCC 55240455 343335189 /nfs/dbraw/zinc/33/51/89/343335189.db2.gz ASEMJRROEUENSH-NSHDSACASA-N 1 0 193.290 2.885 10 0 AFAERO CC[C@@](C)([NH3+])c1cc(F)ccc1F 55242777 343335194 /nfs/dbraw/zinc/33/51/94/343335194.db2.gz UNWWMEQUMNZDIF-SNVBAGLBSA-N 1 0 185.217 2.549 10 0 AFAERO Cc1ccc([C@H]2CCC[C@H]2[NH3+])c(C)c1 55236328 343335197 /nfs/dbraw/zinc/33/51/97/343335197.db2.gz QZAMGSJLOOBEAJ-CHWSQXEVSA-N 1 0 189.302 2.898 10 0 AFAERO CC[C@@](C)([NH3+])c1ccc(C)cc1C 55235615 343335219 /nfs/dbraw/zinc/33/52/19/343335219.db2.gz DMBHYYPNNWAKKX-GFCCVEGCSA-N 1 0 177.291 2.887 10 0 AFAERO CCC([NH3+])(CC)c1ccc(F)c(F)c1 55237072 343335240 /nfs/dbraw/zinc/33/52/40/343335240.db2.gz RTXLDINKTDRDIU-UHFFFAOYSA-N 1 0 199.244 2.939 10 0 AFAERO CC[C@](C)([NH3+])c1cc(C)ccc1OC 55262306 343335248 /nfs/dbraw/zinc/33/52/48/343335248.db2.gz JRZSFMMALYYENA-LBPRGKRZSA-N 1 0 193.290 2.588 10 0 AFAERO Cc1ccc([C@@H]2CCC[C@@H]2[NH3+])c(C)c1 55236301 343335258 /nfs/dbraw/zinc/33/52/58/343335258.db2.gz QZAMGSJLOOBEAJ-STQMWFEESA-N 1 0 189.302 2.898 10 0 AFAERO Cc1ccc(F)c([C@@H]2CCC[C@@H]2[NH3+])c1 55231169 343335282 /nfs/dbraw/zinc/33/52/82/343335282.db2.gz XGODBQCBKHAMLB-CABZTGNLSA-N 1 0 193.265 2.729 10 0 AFAERO Cc1ccc([C@@H]2CCC[C@H]2[NH3+])c(C)c1 55236313 343335287 /nfs/dbraw/zinc/33/52/87/343335287.db2.gz QZAMGSJLOOBEAJ-QWHCGFSZSA-N 1 0 189.302 2.898 10 0 AFAERO CC[C@@](C)([NH3+])c1ccc(F)c(F)c1 55237067 343335303 /nfs/dbraw/zinc/33/53/03/343335303.db2.gz NQSXXOJTPXBQGS-SNVBAGLBSA-N 1 0 185.217 2.549 10 0 AFAERO Cc1ccc(F)c([C@@H]2CCC[C@H]2[NH3+])c1 55231172 343335318 /nfs/dbraw/zinc/33/53/18/343335318.db2.gz XGODBQCBKHAMLB-JOYOIKCWSA-N 1 0 193.265 2.729 10 0 AFAERO CCC[C@@H]([NH3+])c1ccccc1OCC 55240457 343335334 /nfs/dbraw/zinc/33/53/34/343335334.db2.gz ASEMJRROEUENSH-LLVKDONJSA-N 1 0 193.290 2.885 10 0 AFAERO CC[C@@](C)([NH3+])c1cc(C)ccc1OC 55262308 343335345 /nfs/dbraw/zinc/33/53/45/343335345.db2.gz JRZSFMMALYYENA-GFCCVEGCSA-N 1 0 193.290 2.588 10 0 AFAERO CC[C@](C)([NH3+])c1cc(F)ccc1F 55242775 343335381 /nfs/dbraw/zinc/33/53/81/343335381.db2.gz UNWWMEQUMNZDIF-JTQLQIEISA-N 1 0 185.217 2.549 10 0 AFAERO CC[C@](C)([NH3+])c1ccc(F)c(F)c1 55237064 343335382 /nfs/dbraw/zinc/33/53/82/343335382.db2.gz NQSXXOJTPXBQGS-JTQLQIEISA-N 1 0 185.217 2.549 10 0 AFAERO Cc1ccc(C[NH2+]C(C)(C)C)c(C)n1 55330865 343335616 /nfs/dbraw/zinc/33/56/16/343335616.db2.gz LEWQLJVAAHVIMX-UHFFFAOYSA-N 1 0 192.306 2.587 10 0 AFAERO Cc1cc(N)ccc1[N@@H+](C)CC(C)C 57424997 343337101 /nfs/dbraw/zinc/33/71/01/343337101.db2.gz OEOCEBSKDRYKNJ-UHFFFAOYSA-N 1 0 192.306 2.669 10 0 AFAERO CC[C@@H](C)[N@H+](C)c1ccc(N)c(C)c1 57454413 343337607 /nfs/dbraw/zinc/33/76/07/343337607.db2.gz ATUFULLWRVNYPZ-SNVBAGLBSA-N 1 0 192.306 2.812 10 0 AFAERO C[C@H]1CCC[C@H]([NH2+]Cc2ccoc2)C1 57998286 343338322 /nfs/dbraw/zinc/33/83/22/343338322.db2.gz WZQNICMXSLJZGL-JQWIXIFHSA-N 1 0 193.290 2.948 10 0 AFAERO C1=CC[C@@H](C[NH2+]Cc2ccoc2)CC1 57998243 343338431 /nfs/dbraw/zinc/33/84/31/343338431.db2.gz ZUHJPBQDHHSBRK-LLVKDONJSA-N 1 0 191.274 2.726 10 0 AFAERO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccoc1 57998277 343338565 /nfs/dbraw/zinc/33/85/65/343338565.db2.gz HQEAMZLCYULQHK-PWSUYJOCSA-N 1 0 193.290 2.948 10 0 AFAERO C[C@H]1CCC[C@@H]([NH2+]Cc2ccoc2)C1 57998289 343338579 /nfs/dbraw/zinc/33/85/79/343338579.db2.gz WZQNICMXSLJZGL-CMPLNLGQSA-N 1 0 193.290 2.948 10 0 AFAERO Cc1cccc([C@@H]2CC[C@@H]([NH3+])C2)c1 58518874 343339856 /nfs/dbraw/zinc/33/98/56/343339856.db2.gz DMZHYXRSFQDRIL-VXGBXAGGSA-N 1 0 175.275 2.590 10 0 AFAERO CC(C)[C@@H]1C[NH2+]Cc2ccccc21 58518838 343339838 /nfs/dbraw/zinc/33/98/38/343339838.db2.gz RZNYSRIQQBTKIF-LBPRGKRZSA-N 1 0 175.275 2.529 10 0 AFAERO Cc1cc(C)c2c(c1)C[NH2+]C[C@H]2C 58518848 343339854 /nfs/dbraw/zinc/33/98/54/343339854.db2.gz HWMRJLDOTYIQAL-SNVBAGLBSA-N 1 0 175.275 2.510 10 0 AFAERO Cc1ccc([C@H]2CC[C@@H]([NH3+])C2)cc1 58518884 343339881 /nfs/dbraw/zinc/33/98/81/343339881.db2.gz FLQKCWIAPWDZMG-NWDGAFQWSA-N 1 0 175.275 2.590 10 0 AFAERO Cc1ccc([C@@H]2CC[C@H]([NH3+])C2)cc1 58518878 343339926 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2.932 10 0 AFAERO C[NH2+][C@@H]1CC[C@@H](C2CCCC2)C1 70640512 343513499 /nfs/dbraw/zinc/51/34/99/343513499.db2.gz QKAFABQFHJNDOH-GHMZBOCLSA-N 1 0 167.296 2.565 10 0 AFAERO C[NH2+][C@H]1CC[C@H](C2CCCC2)C1 70640511 343513527 /nfs/dbraw/zinc/51/35/27/343513527.db2.gz QKAFABQFHJNDOH-QWRGUYRKSA-N 1 0 167.296 2.565 10 0 AFAERO CC[NH2+][C@H]1CC[C@H](c2ccco2)C1 70640960 343513540 /nfs/dbraw/zinc/51/35/40/343513540.db2.gz ODYJPXLIPYCODK-UWVGGRQHSA-N 1 0 179.263 2.525 10 0 AFAERO C[NH2+][C@H]1CCC[C@H](c2ccccc2)C1 70641257 343513562 /nfs/dbraw/zinc/51/35/62/343513562.db2.gz GJOXZZAYOFZVLW-STQMWFEESA-N 1 0 189.302 2.932 10 0 AFAERO C[NH2+][C@H]1CCC[C@@H](c2ccccc2)C1 70641261 343513571 /nfs/dbraw/zinc/51/35/71/343513571.db2.gz GJOXZZAYOFZVLW-OLZOCXBDSA-N 1 0 189.302 2.932 10 0 AFAERO C[NH2+][C@@H]1CC[C@H](C2CCCC2)C1 70640509 343513574 /nfs/dbraw/zinc/51/35/74/343513574.db2.gz QKAFABQFHJNDOH-WDEREUQCSA-N 1 0 167.296 2.565 10 0 AFAERO CC[NH2+][C@H]1CC[C@@H](c2ccco2)C1 70640963 343513592 /nfs/dbraw/zinc/51/35/92/343513592.db2.gz ODYJPXLIPYCODK-ZJUUUORDSA-N 1 0 179.263 2.525 10 0 AFAERO CC[NH2+][C@@H]1CC[C@H](c2ccco2)C1 70640957 343513595 /nfs/dbraw/zinc/51/35/95/343513595.db2.gz ODYJPXLIPYCODK-VHSXEESVSA-N 1 0 179.263 2.525 10 0 AFAERO C[NH2+][C@H]1CC[C@@H](C2CCCC2)C1 70640514 343513630 /nfs/dbraw/zinc/51/36/30/343513630.db2.gz QKAFABQFHJNDOH-MNOVXSKESA-N 1 0 167.296 2.565 10 0 AFAERO CC[NH2+][C@H]1CC[C@H](c2ccoc2)C1 70640852 343513643 /nfs/dbraw/zinc/51/36/43/343513643.db2.gz PATOZHIELISWBK-ONGXEEELSA-N 1 0 179.263 2.525 10 0 AFAERO C[NH2+][C@@H]1CCC[C@@H](c2ccccc2)C1 70641259 343513734 /nfs/dbraw/zinc/51/37/34/343513734.db2.gz GJOXZZAYOFZVLW-CHWSQXEVSA-N 1 0 189.302 2.932 10 0 AFAERO CC[NH2+][C@@H]1CC[C@@H](c2ccoc2)C1 70640853 343513741 /nfs/dbraw/zinc/51/37/41/343513741.db2.gz PATOZHIELISWBK-MWLCHTKSSA-N 1 0 179.263 2.525 10 0 AFAERO CC[NH2+][C@H]1CC[C@@H](c2ccoc2)C1 70640855 343513773 /nfs/dbraw/zinc/51/37/73/343513773.db2.gz PATOZHIELISWBK-KOLCDFICSA-N 1 0 179.263 2.525 10 0 AFAERO CC[NH2+][C@@H]1CC[C@@H](c2ccco2)C1 70640961 343513783 /nfs/dbraw/zinc/51/37/83/343513783.db2.gz ODYJPXLIPYCODK-NXEZZACHSA-N 1 0 179.263 2.525 10 0 AFAERO C[NH2+][C@@H]1CCCC[C@@H](C2CC2)C1 70641974 343513915 /nfs/dbraw/zinc/51/39/15/343513915.db2.gz IAGBMGCEBZNLSK-GHMZBOCLSA-N 1 0 167.296 2.565 10 0 AFAERO C[NH2+][C@H]1CCCC[C@H](C2CC2)C1 70641973 343513918 /nfs/dbraw/zinc/51/39/18/343513918.db2.gz IAGBMGCEBZNLSK-QWRGUYRKSA-N 1 0 167.296 2.565 10 0 AFAERO C[NH2+][C@H]1CCC[C@H](c2cccs2)C1 70641561 343513927 /nfs/dbraw/zinc/51/39/27/343513927.db2.gz ZHEPMUZHNSTIST-UWVGGRQHSA-N 1 0 195.331 2.994 10 0 AFAERO C[NH2+][C@H]1CCC[C@@H](c2cccs2)C1 70641565 343513931 /nfs/dbraw/zinc/51/39/31/343513931.db2.gz ZHEPMUZHNSTIST-ZJUUUORDSA-N 1 0 195.331 2.994 10 0 AFAERO CC[NH2+][C@@H]1CCC[C@H](c2ccoc2)C1 70641695 343513933 /nfs/dbraw/zinc/51/39/33/343513933.db2.gz XBUNUIBLAHOXCX-CMPLNLGQSA-N 1 0 193.290 2.915 10 0 AFAERO C[NH2+][C@@H]1CCC[C@@H](c2ccoc2)C1 70641427 343513943 /nfs/dbraw/zinc/51/39/43/343513943.db2.gz BUTGQGBVMMDDIH-MWLCHTKSSA-N 1 0 179.263 2.525 10 0 AFAERO CC[NH2+][C@H]1CCC[C@@H](c2ccoc2)C1 70641698 343513950 /nfs/dbraw/zinc/51/39/50/343513950.db2.gz XBUNUIBLAHOXCX-PWSUYJOCSA-N 1 0 193.290 2.915 10 0 AFAERO C[NH2+][C@H]1CCCC[C@@H](c2ccco2)C1 70642011 343513959 /nfs/dbraw/zinc/51/39/59/343513959.db2.gz MLLPADUSPNEVIT-MNOVXSKESA-N 1 0 193.290 2.915 10 0 AFAERO C[NH2+][C@H]1CCCC[C@H](c2ccco2)C1 70642009 343513977 /nfs/dbraw/zinc/51/39/77/343513977.db2.gz MLLPADUSPNEVIT-QWRGUYRKSA-N 1 0 193.290 2.915 10 0 AFAERO C[NH2+][C@@H]1CCC[C@@H](c2ccco2)C1 70641535 343513997 /nfs/dbraw/zinc/51/39/97/343513997.db2.gz AUCSCULDNXEHMQ-NXEZZACHSA-N 1 0 179.263 2.525 10 0 AFAERO C[NH2+][C@@H]1CCC[C@@H](c2cccs2)C1 70641563 343514007 /nfs/dbraw/zinc/51/40/07/343514007.db2.gz ZHEPMUZHNSTIST-NXEZZACHSA-N 1 0 195.331 2.994 10 0 AFAERO C[NH2+][C@@H]1CCCC[C@@H](c2ccco2)C1 70642010 343514024 /nfs/dbraw/zinc/51/40/24/343514024.db2.gz MLLPADUSPNEVIT-GHMZBOCLSA-N 1 0 193.290 2.915 10 0 AFAERO C[NH2+][C@@H]1CCC[C@H](c2cccs2)C1 70641559 343514035 /nfs/dbraw/zinc/51/40/35/343514035.db2.gz ZHEPMUZHNSTIST-VHSXEESVSA-N 1 0 195.331 2.994 10 0 AFAERO C[NH2+][C@@H]1CCC[C@H](c2ccoc2)C1 70641423 343514043 /nfs/dbraw/zinc/51/40/43/343514043.db2.gz BUTGQGBVMMDDIH-GXSJLCMTSA-N 1 0 179.263 2.525 10 0 AFAERO C[NH2+][C@H]1CCC[C@H](c2ccco2)C1 70641533 343514062 /nfs/dbraw/zinc/51/40/62/343514062.db2.gz AUCSCULDNXEHMQ-UWVGGRQHSA-N 1 0 179.263 2.525 10 0 AFAERO CC[NH2+][C@@H]1CCC[C@@H](c2ccoc2)C1 70641697 343514072 /nfs/dbraw/zinc/51/40/72/343514072.db2.gz XBUNUIBLAHOXCX-ZYHUDNBSSA-N 1 0 193.290 2.915 10 0 AFAERO C[NH2+][C@H]1CCC[C@H](c2ccoc2)C1 70641426 343514096 /nfs/dbraw/zinc/51/40/96/343514096.db2.gz BUTGQGBVMMDDIH-ONGXEEELSA-N 1 0 179.263 2.525 10 0 AFAERO C[NH2+][C@@H]1CCCC[C@H](C2CC2)C1 70641972 343514108 /nfs/dbraw/zinc/51/41/08/343514108.db2.gz IAGBMGCEBZNLSK-WDEREUQCSA-N 1 0 167.296 2.565 10 0 AFAERO CC[NH2+][C@H]1CCC[C@H](c2ccoc2)C1 70641696 343514116 /nfs/dbraw/zinc/51/41/16/343514116.db2.gz XBUNUIBLAHOXCX-JQWIXIFHSA-N 1 0 193.290 2.915 10 0 AFAERO C[NH2+][C@H]1CCCC[C@@H](C2CC2)C1 70641975 343514154 /nfs/dbraw/zinc/51/41/54/343514154.db2.gz IAGBMGCEBZNLSK-MNOVXSKESA-N 1 0 167.296 2.565 10 0 AFAERO C[NH2+][C@@H]1CCC[C@H](c2ccco2)C1 70641532 343514165 /nfs/dbraw/zinc/51/41/65/343514165.db2.gz AUCSCULDNXEHMQ-VHSXEESVSA-N 1 0 179.263 2.525 10 0 AFAERO CC[C@@H]1CC[C@@H]([NH2+]C(C)C)C1 70642719 343514552 /nfs/dbraw/zinc/51/45/52/343514552.db2.gz VIUPCSTZHFYTJY-NXEZZACHSA-N 1 0 155.285 2.563 10 0 AFAERO CC[C@H]1CC[C@H]([NH2+]C(C)C)C1 70642718 343514504 /nfs/dbraw/zinc/51/45/04/343514504.db2.gz VIUPCSTZHFYTJY-UWVGGRQHSA-N 1 0 155.285 2.563 10 0 AFAERO CC[C@H]1CC[C@@H]([NH2+]C(C)C)C1 70642720 343514506 /nfs/dbraw/zinc/51/45/06/343514506.db2.gz VIUPCSTZHFYTJY-VHSXEESVSA-N 1 0 155.285 2.563 10 0 AFAERO CC[C@@H]1CC[C@H]([NH2+]C(C)C)C1 70642717 343514673 /nfs/dbraw/zinc/51/46/73/343514673.db2.gz VIUPCSTZHFYTJY-ZJUUUORDSA-N 1 0 155.285 2.563 10 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/nfs/dbraw/zinc/51/64/97/343516497.db2.gz BQJWUVBETWGUPW-WPRPVWTQSA-N 1 0 196.319 2.507 10 0 AFAERO CC[C@@H]1CC[C@@]([NH3+])(c2nccs2)C1 70645002 343516502 /nfs/dbraw/zinc/51/65/02/343516502.db2.gz BQJWUVBETWGUPW-SCZZXKLOSA-N 1 0 196.319 2.507 10 0 AFAERO C[C@@H]1CC[C@@]([NH3+])(c2cccs2)C1 70645404 343516818 /nfs/dbraw/zinc/51/68/18/343516818.db2.gz GXVZADSGITVKJK-SCZZXKLOSA-N 1 0 181.304 2.722 10 0 AFAERO C[C@H]1CC[C@@]([NH3+])(c2cccs2)C1 70645405 343516850 /nfs/dbraw/zinc/51/68/50/343516850.db2.gz GXVZADSGITVKJK-WPRPVWTQSA-N 1 0 181.304 2.722 10 0 AFAERO C[C@H]1CC[C@]([NH3+])(c2cccs2)C1 70645403 343517013 /nfs/dbraw/zinc/51/70/13/343517013.db2.gz GXVZADSGITVKJK-WCBMZHEXSA-N 1 0 181.304 2.722 10 0 AFAERO C[C@@H]1CC[C@]([NH3+])(c2cccs2)C1 70645402 343517077 /nfs/dbraw/zinc/51/70/77/343517077.db2.gz GXVZADSGITVKJK-PSASIEDQSA-N 1 0 181.304 2.722 10 0 AFAERO CC[C@H]1CCCC[C@@H]1CC[NH3+] 70650692 343518856 /nfs/dbraw/zinc/51/88/56/343518856.db2.gz FHCKUCVWYVQYQE-VHSXEESVSA-N 1 0 155.285 2.552 10 0 AFAERO C[C@@H]1CC[NH2+][C@H](c2ccccc2F)C1 70651221 343518852 /nfs/dbraw/zinc/51/88/52/343518852.db2.gz RBVXNEAZGWMEEO-SKDRFNHKSA-N 1 0 193.265 2.886 10 0 AFAERO CC[C@H]1CCCC[C@H]1CC[NH3+] 70650694 343518938 /nfs/dbraw/zinc/51/89/38/343518938.db2.gz FHCKUCVWYVQYQE-UWVGGRQHSA-N 1 0 155.285 2.552 10 0 AFAERO CC[C@@H]1CCCC[C@H]1CC[NH3+] 70650693 343518958 /nfs/dbraw/zinc/51/89/58/343518958.db2.gz FHCKUCVWYVQYQE-ZJUUUORDSA-N 1 0 155.285 2.552 10 0 AFAERO C[C@@H]1CC[NH2+][C@@H](c2ccccc2F)C1 70651223 343518976 /nfs/dbraw/zinc/51/89/76/343518976.db2.gz RBVXNEAZGWMEEO-BXKDBHETSA-N 1 0 193.265 2.886 10 0 AFAERO CC[C@@H]1CCCC[C@@H]1CC[NH3+] 70650691 343519057 /nfs/dbraw/zinc/51/90/57/343519057.db2.gz FHCKUCVWYVQYQE-NXEZZACHSA-N 1 0 155.285 2.552 10 0 AFAERO C[C@H]1CC[NH2+][C@H](c2ccccc2F)C1 70651222 343519098 /nfs/dbraw/zinc/51/90/98/343519098.db2.gz RBVXNEAZGWMEEO-CABZTGNLSA-N 1 0 193.265 2.886 10 0 AFAERO C[C@@H]1CC[NH2+][C@H](c2cccc(F)c2)C1 70651313 343519153 /nfs/dbraw/zinc/51/91/53/343519153.db2.gz GFDJKYXTOKSQCM-SKDRFNHKSA-N 1 0 193.265 2.886 10 0 AFAERO CC1(C)CCC[C@@]2(CCC[NH2+]C2)C1 70651544 343519188 /nfs/dbraw/zinc/51/91/88/343519188.db2.gz RMLMGGNOWCMFQR-GFCCVEGCSA-N 1 0 181.323 2.956 10 0 AFAERO CCCCC[C@@H]([NH3+])c1ccoc1 70651335 343519264 /nfs/dbraw/zinc/51/92/64/343519264.db2.gz JVUCDEPLZCXSIK-SNVBAGLBSA-N 1 0 167.252 2.860 10 0 AFAERO C[C@H]1CC[NH2+][C@H](c2cccc(F)c2)C1 70651314 343519275 /nfs/dbraw/zinc/51/92/75/343519275.db2.gz GFDJKYXTOKSQCM-CABZTGNLSA-N 1 0 193.265 2.886 10 0 AFAERO C[C@H]1CC[NH2+][C@@H](c2ccccc2F)C1 70651224 343519306 /nfs/dbraw/zinc/51/93/06/343519306.db2.gz RBVXNEAZGWMEEO-JOYOIKCWSA-N 1 0 193.265 2.886 10 0 AFAERO C[C@H]1CC[NH2+][C@@H](c2cccc(F)c2)C1 70651316 343519448 /nfs/dbraw/zinc/51/94/48/343519448.db2.gz GFDJKYXTOKSQCM-JOYOIKCWSA-N 1 0 193.265 2.886 10 0 AFAERO Cc1ccc(F)c([C@@H]2CCC[NH2+]C2)c1 70651378 343519497 /nfs/dbraw/zinc/51/94/97/343519497.db2.gz CHZXPHBMMGKCNO-SNVBAGLBSA-N 1 0 193.265 2.601 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2.694 10 0 AFAERO CC[C@@H]1CCCC[C@@]12C[C@@H]2C[NH3+] 70652134 343520032 /nfs/dbraw/zinc/52/00/32/343520032.db2.gz SDFNUUOHJDEWFB-GMTAPVOTSA-N 1 0 167.296 2.552 10 0 AFAERO CC(C)c1ccc2c(c1)C[C@H](C)[NH2+]C2 70653051 343520034 /nfs/dbraw/zinc/52/00/34/343520034.db2.gz IVIDQAFGZAUORF-JTQLQIEISA-N 1 0 189.302 2.844 10 0 AFAERO CC(C)[NH2+][C@@H]1CCCC(C)(C)C1 70682525 343524265 /nfs/dbraw/zinc/52/42/65/343524265.db2.gz APWBQFYYNRADRI-SNVBAGLBSA-N 1 0 169.312 2.953 10 0 AFAERO C[C@H]1C[C@H]1[NH2+]C1CCC(C)(C)CC1 70654304 343520272 /nfs/dbraw/zinc/52/02/72/343520272.db2.gz YPKLSGIAQUDCHE-GXSJLCMTSA-N 1 0 181.323 2.953 10 0 AFAERO CC(C)C1([NH3+])CCC(C)(C)CC1 70654620 343520274 /nfs/dbraw/zinc/52/02/74/343520274.db2.gz XCISEOYOPLGZCT-UHFFFAOYSA-N 1 0 169.312 2.940 10 0 AFAERO CC1(C)CCC2(CC1)C[C@@H]2C[NH3+] 70654841 343520288 /nfs/dbraw/zinc/52/02/88/343520288.db2.gz PPVMZPRIKQUMBW-SECBINFHSA-N 1 0 167.296 2.552 10 0 AFAERO C[C@H]1C[C@@H]1[NH2+]C1CCC(C)(C)CC1 70654302 343520308 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199.363 2.790 10 0 AFAERO C[C@H]1C[C@]1(C[NH3+])Sc1ccccc1 160985884 344182360 /nfs/dbraw/zinc/18/23/60/344182360.db2.gz QIIYIEZNYSRDNL-GXSJLCMTSA-N 1 0 193.315 2.516 10 0 AFAERO C[C@@H]1C[C@]1(C[NH3+])SC1CCCCC1 160984760 344182392 /nfs/dbraw/zinc/18/23/92/344182392.db2.gz CMQQEHUCDNUQTC-MWLCHTKSSA-N 1 0 199.363 2.790 10 0 AFAERO C[C@H]1C[C@@]1(C[NH3+])Sc1ccccc1 160985664 344182474 /nfs/dbraw/zinc/18/24/74/344182474.db2.gz QIIYIEZNYSRDNL-ONGXEEELSA-N 1 0 193.315 2.516 10 0 AFAERO C[C@@H]1C[C@]1(C[NH3+])Sc1ccccc1 160985760 344182476 /nfs/dbraw/zinc/18/24/76/344182476.db2.gz QIIYIEZNYSRDNL-MWLCHTKSSA-N 1 0 193.315 2.516 10 0 AFAERO C[C@@H]1C[C@@]1(C[NH3+])SC1CCCCC1 160984512 344182505 /nfs/dbraw/zinc/18/25/05/344182505.db2.gz CMQQEHUCDNUQTC-KOLCDFICSA-N 1 0 199.363 2.790 10 0 AFAERO CC[C@H]1C[C@@]1([NH3+])c1cc(C)cc(C)c1 161010309 344183352 /nfs/dbraw/zinc/18/33/52/344183352.db2.gz NVKOUZYCSURACA-AAEUAGOBSA-N 1 0 189.302 2.887 10 0 AFAERO CC[C@@H]1C[C@]1([NH3+])c1cc(C)cc(C)c1 161009937 344183275 /nfs/dbraw/zinc/18/32/75/344183275.db2.gz NVKOUZYCSURACA-DGCLKSJQSA-N 1 0 189.302 2.887 10 0 AFAERO CC[C@H]1C[C@@]1([NH3+])c1ccc(F)cc1F 161011953 344183310 /nfs/dbraw/zinc/18/33/10/344183310.db2.gz NWKOBCPOADTQGJ-CPCISQLKSA-N 1 0 197.228 2.549 10 0 AFAERO CC[C@H]1C[C@]1([NH3+])c1cc(C)cc(C)c1 161010060 344183416 /nfs/dbraw/zinc/18/34/16/344183416.db2.gz NVKOUZYCSURACA-WCQYABFASA-N 1 0 189.302 2.887 10 0 AFAERO C[C@@H]1C[C@]1([NH3+])c1cccc(Cl)c1F 161012086 344183423 /nfs/dbraw/zinc/18/34/23/344183423.db2.gz CIIPDHOUMCZUIM-LHLIQPBNSA-N 1 0 199.656 2.673 10 0 AFAERO C[C@H]1C[C@]1([NH3+])c1cccc(Cl)c1F 161012231 344183428 /nfs/dbraw/zinc/18/34/28/344183428.db2.gz CIIPDHOUMCZUIM-QUBYGPBYSA-N 1 0 199.656 2.673 10 0 AFAERO CC[C@@H]1C[C@@]1([NH3+])c1cc(C)cc(C)c1 161010192 344183494 /nfs/dbraw/zinc/18/34/94/344183494.db2.gz NVKOUZYCSURACA-YPMHNXCESA-N 1 0 189.302 2.887 10 0 AFAERO CC[C@H]1C[C@@]1([NH3+])c1ccc(C)c(C)c1 161011414 344183581 /nfs/dbraw/zinc/18/35/81/344183581.db2.gz MEDQCMMZEURHHT-AAEUAGOBSA-N 1 0 189.302 2.887 10 0 AFAERO CC[C@@H]1C[C@]1([NH3+])c1ccc(F)cc1F 161011604 344183606 /nfs/dbraw/zinc/18/36/06/344183606.db2.gz NWKOBCPOADTQGJ-RDDDGLTNSA-N 1 0 197.228 2.549 10 0 AFAERO CC(C)c1ccc(C[NH3+])c(Cl)c1 161079254 344184538 /nfs/dbraw/zinc/18/45/38/344184538.db2.gz RWKAYEIZPIZNRQ-UHFFFAOYSA-N 1 0 183.682 2.922 10 0 AFAERO [NH3+]Cc1ccc(C2CC2)cc1Cl 161076852 344184578 /nfs/dbraw/zinc/18/45/78/344184578.db2.gz QXYFBRNDOJRPGG-UHFFFAOYSA-N 1 0 181.666 2.676 10 0 AFAERO CC1(C)CC[C@@H]([NH2+]Cc2ccoc2)C1 161253412 344187613 /nfs/dbraw/zinc/18/76/13/344187613.db2.gz DASORUPAXADMCC-LLVKDONJSA-N 1 0 193.290 2.948 10 0 AFAERO CCC[C@]1(C2CCC2)CCC[NH2+]1 161403517 344190456 /nfs/dbraw/zinc/19/04/56/344190456.db2.gz LVLZBPQMMWEBQT-LLVKDONJSA-N 1 0 167.296 2.709 10 0 AFAERO CCC[C@@]1(C2CCC2)CCC[NH2+]1 161403656 344190469 /nfs/dbraw/zinc/19/04/69/344190469.db2.gz LVLZBPQMMWEBQT-NSHDSACASA-N 1 0 167.296 2.709 10 0 AFAERO CC(C)[C@]1(C2CCC2)CCC[NH2+]1 161404029 344190636 /nfs/dbraw/zinc/19/06/36/344190636.db2.gz VLUPLKBQNBQPKM-NSHDSACASA-N 1 0 167.296 2.565 10 0 AFAERO CC(C)[C@@]1(C2CCC2)CCC[NH2+]1 161404172 344190721 /nfs/dbraw/zinc/19/07/21/344190721.db2.gz VLUPLKBQNBQPKM-LLVKDONJSA-N 1 0 167.296 2.565 10 0 AFAERO CC(C)(C)[C@]1(C2CCC2)CCC[NH2+]1 161404311 344190729 /nfs/dbraw/zinc/19/07/29/344190729.db2.gz STLXPOZMFCGGJM-GFCCVEGCSA-N 1 0 181.323 2.955 10 0 AFAERO C[C@@H]1CC[C@@H]([C@H]([NH3+])C2CCC2)C1 161389184 344190766 /nfs/dbraw/zinc/19/07/66/344190766.db2.gz DUGXWRMLGJVSBM-FBIMIBRVSA-N 1 0 167.296 2.550 10 0 AFAERO C[C@@H]1CC[C@H]([C@H]([NH3+])C2CCC2)C1 161388930 344190773 /nfs/dbraw/zinc/19/07/73/344190773.db2.gz DUGXWRMLGJVSBM-DVVUODLYSA-N 1 0 167.296 2.550 10 0 AFAERO CC(C)(C)[C@@]1(C2CCC2)CCC[NH2+]1 161404450 344190786 /nfs/dbraw/zinc/19/07/86/344190786.db2.gz STLXPOZMFCGGJM-LBPRGKRZSA-N 1 0 181.323 2.955 10 0 AFAERO C[C@@]1(C2CCC2)CCCCC[NH2+]1 161423536 344191064 /nfs/dbraw/zinc/19/10/64/344191064.db2.gz PPDSRDFFPFNTGV-NSHDSACASA-N 1 0 167.296 2.709 10 0 AFAERO [NH3+][C@@H]1CC12CCC1(CCCC1)CC2 161431924 344191123 /nfs/dbraw/zinc/19/11/23/344191123.db2.gz YMZSTFKJMRXQAB-SNVBAGLBSA-N 1 0 179.307 2.838 10 0 AFAERO Cc1cc([C@@H]([NH3+])c2cccs2)co1 161429806 344191131 /nfs/dbraw/zinc/19/11/31/344191131.db2.gz TVIXIVVGGWBEQM-SNVBAGLBSA-N 1 0 193.271 2.698 10 0 AFAERO Cc1cc([C@H]([NH3+])c2cccs2)co1 161429719 344191148 /nfs/dbraw/zinc/19/11/48/344191148.db2.gz TVIXIVVGGWBEQM-JTQLQIEISA-N 1 0 193.271 2.698 10 0 AFAERO C[C@]1(C2CCC2)CCCCC[NH2+]1 161423405 344191328 /nfs/dbraw/zinc/19/13/28/344191328.db2.gz PPDSRDFFPFNTGV-LLVKDONJSA-N 1 0 167.296 2.709 10 0 AFAERO [NH3+][C@H]1CC12CCC1(CCCC1)CC2 161431788 344191389 /nfs/dbraw/zinc/19/13/89/344191389.db2.gz YMZSTFKJMRXQAB-JTQLQIEISA-N 1 0 179.307 2.838 10 0 AFAERO Cc1cscc1[C@H]([NH3+])C1CCC1 161445547 344191473 /nfs/dbraw/zinc/19/14/73/344191473.db2.gz LHCQXBQRADLNRU-SNVBAGLBSA-N 1 0 181.304 2.856 10 0 AFAERO Cc1cscc1[C@@H]([NH3+])C1CCC1 161445670 344191519 /nfs/dbraw/zinc/19/15/19/344191519.db2.gz LHCQXBQRADLNRU-JTQLQIEISA-N 1 0 181.304 2.856 10 0 AFAERO [NH3+][C@@H](c1ccc(Cl)cn1)C1CCC1 161444531 344191558 /nfs/dbraw/zinc/19/15/58/344191558.db2.gz XQDIVPCDQIUXGC-SNVBAGLBSA-N 1 0 196.681 2.535 10 0 AFAERO [NH3+][C@H](c1ccc(Cl)cn1)C1CCC1 161444670 344191576 /nfs/dbraw/zinc/19/15/76/344191576.db2.gz XQDIVPCDQIUXGC-JTQLQIEISA-N 1 0 196.681 2.535 10 0 AFAERO C1CCC2(C1)CCC1(CC[NH2+]1)CC2 161494869 344192118 /nfs/dbraw/zinc/19/21/18/344192118.db2.gz CBXGEQHXEOQQMI-UHFFFAOYSA-N 1 0 179.307 2.853 10 0 AFAERO [NH3+]CC1(C2CCC2)CCCCC1 161510178 344192557 /nfs/dbraw/zinc/19/25/57/344192557.db2.gz VRTIJDMGKRVZKF-UHFFFAOYSA-N 1 0 167.296 2.696 10 0 AFAERO C[NH2+]CC1(C2CCC2)CCCCC1 161515146 344192649 /nfs/dbraw/zinc/19/26/49/344192649.db2.gz ZIWFDAYRJIKWBT-UHFFFAOYSA-N 1 0 181.323 2.956 10 0 AFAERO C[C@H]1CC[C@]2(CCCC[NH2+]C2)C1 161532705 344192876 /nfs/dbraw/zinc/19/28/76/344192876.db2.gz RIONRRZAPVNJNT-WDEREUQCSA-N 1 0 167.296 2.566 10 0 AFAERO C[C@@H]1CC[C@]2(CCCC[NH2+]C2)C1 161532587 344193113 /nfs/dbraw/zinc/19/31/13/344193113.db2.gz RIONRRZAPVNJNT-GHMZBOCLSA-N 1 0 167.296 2.566 10 0 AFAERO C[C@H]1CC[C@@]2(CCCC[NH2+]C2)C1 161532912 344193135 /nfs/dbraw/zinc/19/31/35/344193135.db2.gz RIONRRZAPVNJNT-QWRGUYRKSA-N 1 0 167.296 2.566 10 0 AFAERO C[C@@H]1CC[C@@]2(CCCC[NH2+]C2)C1 161532822 344193213 /nfs/dbraw/zinc/19/32/13/344193213.db2.gz RIONRRZAPVNJNT-MNOVXSKESA-N 1 0 167.296 2.566 10 0 AFAERO C[NH2+][C@@H]1CCCCC[C@@H]1C1CCC1 161560654 344193268 /nfs/dbraw/zinc/19/32/68/344193268.db2.gz NZMWOGQGLKRCGJ-VXGBXAGGSA-N 1 0 181.323 2.955 10 0 AFAERO [NH3+][C@H]1CCCCC[C@@H]1C1CCC1 161557335 344193373 /nfs/dbraw/zinc/19/33/73/344193373.db2.gz IXUCSWOXLVNRKQ-MNOVXSKESA-N 1 0 167.296 2.694 10 0 AFAERO CC[C@@H]1CC[NH2+][C@@H](C2CCC2)C1 161565553 344193459 /nfs/dbraw/zinc/19/34/59/344193459.db2.gz DGAJFKYGFRENAC-MWLCHTKSSA-N 1 0 167.296 2.565 10 0 AFAERO C[NH2+][C@@H]1CCCC[C@H]1C1CCC1 161557821 344193485 /nfs/dbraw/zinc/19/34/85/344193485.db2.gz ABSGBAHPHMDBQZ-WDEREUQCSA-N 1 0 167.296 2.565 10 0 AFAERO [NH3+][C@@H]1CCCCC[C@@H]1C1CCC1 161557080 344193517 /nfs/dbraw/zinc/19/35/17/344193517.db2.gz IXUCSWOXLVNRKQ-GHMZBOCLSA-N 1 0 167.296 2.694 10 0 AFAERO C[NH2+][C@H]1CCCCC[C@@H]1C1CCC1 161560774 344193551 /nfs/dbraw/zinc/19/35/51/344193551.db2.gz NZMWOGQGLKRCGJ-NEPJUHHUSA-N 1 0 181.323 2.955 10 0 AFAERO C[NH2+][C@@H]1CCCCC[C@H]1C1CCC1 161560880 344193556 /nfs/dbraw/zinc/19/35/56/344193556.db2.gz NZMWOGQGLKRCGJ-NWDGAFQWSA-N 1 0 181.323 2.955 10 0 AFAERO CC[C@@H]1CC[NH2+][C@H](C2CCC2)C1 161565308 344193605 /nfs/dbraw/zinc/19/36/05/344193605.db2.gz DGAJFKYGFRENAC-KOLCDFICSA-N 1 0 167.296 2.565 10 0 AFAERO C[NH2+][C@H]1CCCC[C@H]1C1CCC1 161557941 344193620 /nfs/dbraw/zinc/19/36/20/344193620.db2.gz ABSGBAHPHMDBQZ-QWRGUYRKSA-N 1 0 167.296 2.565 10 0 AFAERO [NH3+][C@@H]1CCCCC[C@H]1C1CCC1 161557189 344193622 /nfs/dbraw/zinc/19/36/22/344193622.db2.gz IXUCSWOXLVNRKQ-WDEREUQCSA-N 1 0 167.296 2.694 10 0 AFAERO C[NH2+][C@H]1CCCCC[C@H]1C1CCC1 161561023 344193632 /nfs/dbraw/zinc/19/36/32/344193632.db2.gz NZMWOGQGLKRCGJ-RYUDHWBXSA-N 1 0 181.323 2.955 10 0 AFAERO CC[C@H]1CC[NH2+][C@H](C2CCC2)C1 161565435 344193640 /nfs/dbraw/zinc/19/36/40/344193640.db2.gz DGAJFKYGFRENAC-ONGXEEELSA-N 1 0 167.296 2.565 10 0 AFAERO CC[C@H]1CC[NH2+][C@@H](C2CCC2)C1 161565684 344193645 /nfs/dbraw/zinc/19/36/45/344193645.db2.gz DGAJFKYGFRENAC-GXSJLCMTSA-N 1 0 167.296 2.565 10 0 AFAERO C[NH2+][C@H]1CCC[C@H](C2CCC2)C1 161573207 344193809 /nfs/dbraw/zinc/19/38/09/344193809.db2.gz KMMVKTBMJNBESE-QWRGUYRKSA-N 1 0 167.296 2.565 10 0 AFAERO C[NH2+][C@@H]1CCC[C@H](C2CCC2)C1 161573078 344193850 /nfs/dbraw/zinc/19/38/50/344193850.db2.gz KMMVKTBMJNBESE-WDEREUQCSA-N 1 0 167.296 2.565 10 0 AFAERO [NH3+][C@H]1CCCC[C@@H](C2CCC2)C1 161569059 344193858 /nfs/dbraw/zinc/19/38/58/344193858.db2.gz JSIITFCVUOWWQG-MNOVXSKESA-N 1 0 167.296 2.694 10 0 AFAERO C[NH2+][C@@H]1CCCC[C@H](C2CCC2)C1 161575261 344193900 /nfs/dbraw/zinc/19/39/00/344193900.db2.gz NKKJMABGRXKGEF-NWDGAFQWSA-N 1 0 181.323 2.955 10 0 AFAERO [NH3+][C@H]1CCCC[C@H](C2CCC2)C1 161569339 344193930 /nfs/dbraw/zinc/19/39/30/344193930.db2.gz JSIITFCVUOWWQG-QWRGUYRKSA-N 1 0 167.296 2.694 10 0 AFAERO C[NH2+][C@@H]1CCCC[C@@H](C2CCC2)C1 161575512 344193954 /nfs/dbraw/zinc/19/39/54/344193954.db2.gz NKKJMABGRXKGEF-VXGBXAGGSA-N 1 0 181.323 2.955 10 0 AFAERO C[NH2+][C@H]1CCC[C@@H](C2CCC2)C1 161573460 344193980 /nfs/dbraw/zinc/19/39/80/344193980.db2.gz KMMVKTBMJNBESE-MNOVXSKESA-N 1 0 167.296 2.565 10 0 AFAERO [NH3+][C@@H]1CCCC[C@H](C2CCC2)C1 161569488 344194002 /nfs/dbraw/zinc/19/40/02/344194002.db2.gz JSIITFCVUOWWQG-WDEREUQCSA-N 1 0 167.296 2.694 10 0 AFAERO CC1(C)CC(C2CCC2)=C[C@@H]([NH3+])C1 161586086 344194057 /nfs/dbraw/zinc/19/40/57/344194057.db2.gz WKVBHKBDPMBBEN-LLVKDONJSA-N 1 0 179.307 2.860 10 0 AFAERO C[NH2+][C@@H]1CCC[C@@H](C2CCC2)C1 161573346 344194094 /nfs/dbraw/zinc/19/40/94/344194094.db2.gz KMMVKTBMJNBESE-GHMZBOCLSA-N 1 0 167.296 2.565 10 0 AFAERO C[NH2+][C@H]1CCCC[C@@H](C2CCC2)C1 161575650 344194139 /nfs/dbraw/zinc/19/41/39/344194139.db2.gz NKKJMABGRXKGEF-NEPJUHHUSA-N 1 0 181.323 2.955 10 0 AFAERO CC1(C)CC(C2CCC2)=C[C@H]([NH3+])C1 161586212 344194171 /nfs/dbraw/zinc/19/41/71/344194171.db2.gz WKVBHKBDPMBBEN-NSHDSACASA-N 1 0 179.307 2.860 10 0 AFAERO C[NH2+][C@H]1CCCC[C@H](C2CCC2)C1 161575381 344194199 /nfs/dbraw/zinc/19/41/99/344194199.db2.gz NKKJMABGRXKGEF-RYUDHWBXSA-N 1 0 181.323 2.955 10 0 AFAERO c1ccc2c(c1)C[NH2+][C@H]2C1CCC1 161567046 344194219 /nfs/dbraw/zinc/19/42/19/344194219.db2.gz OYGFDPVLAMGQNG-LBPRGKRZSA-N 1 0 173.259 2.631 10 0 AFAERO c1ccc2c(c1)C[NH2+][C@@H]2C1CCC1 161566938 344194249 /nfs/dbraw/zinc/19/42/49/344194249.db2.gz OYGFDPVLAMGQNG-GFCCVEGCSA-N 1 0 173.259 2.631 10 0 AFAERO CC1(C)CC[C@@H]([NH3+])[C@H](C2CCC2)C1 161663352 344195813 /nfs/dbraw/zinc/19/58/13/344195813.db2.gz DLZIXYRIWZMHOW-WDEREUQCSA-N 1 0 181.323 2.940 10 0 AFAERO C[C@@H]1CC[C@H](C[NH3+])[C@H](C2CCC2)C1 161665891 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/nfs/dbraw/zinc/21/38/52/344213852.db2.gz JYRIKARJOARDOW-GHMZBOCLSA-N 1 0 193.315 2.712 10 0 AFAERO CC[C@@H]1SCc2ccccc2[C@@H]1[NH3+] 162807265 344213866 /nfs/dbraw/zinc/21/38/66/344213866.db2.gz JYRIKARJOARDOW-QWRGUYRKSA-N 1 0 193.315 2.712 10 0 AFAERO CC[C@H]1SCc2ccccc2[C@@H]1[NH3+] 162807139 344213925 /nfs/dbraw/zinc/21/39/25/344213925.db2.gz JYRIKARJOARDOW-MNOVXSKESA-N 1 0 193.315 2.712 10 0 AFAERO CC(C)(C)C[C@@H]([NH3+])C1CCC1 162841798 344214440 /nfs/dbraw/zinc/21/44/40/344214440.db2.gz XVIGXNOHPWIXHO-SECBINFHSA-N 1 0 155.285 2.550 10 0 AFAERO C[NH2+][C@@H]1C[C@H]2CCc3cc(F)cc1c32 162845575 344214464 /nfs/dbraw/zinc/21/44/64/344214464.db2.gz FOSDPGHNMAWXPZ-LDYMZIIASA-N 1 0 191.249 2.520 10 0 AFAERO C[C@@]1([C@@H]([NH3+])c2ccoc2)CCCS1 162826554 344214496 /nfs/dbraw/zinc/21/44/96/344214496.db2.gz FBCLKRHCBHJDJP-UWVGGRQHSA-N 1 0 197.303 2.565 10 0 AFAERO C[NH2+][C@H]1C[C@H]2CCc3cc(F)cc1c32 162845682 344214501 /nfs/dbraw/zinc/21/45/01/344214501.db2.gz FOSDPGHNMAWXPZ-KCJUWKMLSA-N 1 0 191.249 2.520 10 0 AFAERO C[C@]1([C@H]([NH3+])c2ccoc2)CCCS1 162826164 344214522 /nfs/dbraw/zinc/21/45/22/344214522.db2.gz FBCLKRHCBHJDJP-NXEZZACHSA-N 1 0 197.303 2.565 10 0 AFAERO C[C@]1([C@@H]([NH3+])c2ccoc2)CCCS1 162826423 344214540 /nfs/dbraw/zinc/21/45/40/344214540.db2.gz FBCLKRHCBHJDJP-VHSXEESVSA-N 1 0 197.303 2.565 10 0 AFAERO C[C@H](N1CCCCC1=[NH2+])C(C)(C)C 162833325 344214566 /nfs/dbraw/zinc/21/45/66/344214566.db2.gz PCRBMUIFXWRTIT-VIFPVBQESA-N 1 0 182.311 2.884 10 0 AFAERO CC(C)(C)C[C@H]([NH3+])C1CCC1 162841681 344214600 /nfs/dbraw/zinc/21/46/00/344214600.db2.gz XVIGXNOHPWIXHO-VIFPVBQESA-N 1 0 155.285 2.550 10 0 AFAERO C[NH2+][C@H]1C[C@@H]2CCc3cc(F)cc1c32 162845457 344214619 /nfs/dbraw/zinc/21/46/19/344214619.db2.gz FOSDPGHNMAWXPZ-KWQFWETISA-N 1 0 191.249 2.520 10 0 AFAERO C[C@@]1([C@H]([NH3+])c2ccoc2)CCCS1 162826293 344214629 /nfs/dbraw/zinc/21/46/29/344214629.db2.gz FBCLKRHCBHJDJP-ZJUUUORDSA-N 1 0 197.303 2.565 10 0 AFAERO C[C@@H](N1CCCCC1=[NH2+])C(C)(C)C 162833452 344214645 /nfs/dbraw/zinc/21/46/45/344214645.db2.gz PCRBMUIFXWRTIT-SECBINFHSA-N 1 0 182.311 2.884 10 0 AFAERO C[C@H](Nc1cc[nH+]cc1)C(C)(C)C 162838688 344214673 /nfs/dbraw/zinc/21/46/73/344214673.db2.gz NSNCPKOQOZRNHC-VIFPVBQESA-N 1 0 178.279 2.928 10 0 AFAERO C[NH2+][C@@H]1C[C@@H]2CCc3cc(F)cc1c32 162845342 344214696 /nfs/dbraw/zinc/21/46/96/344214696.db2.gz FOSDPGHNMAWXPZ-GZMMTYOYSA-N 1 0 191.249 2.520 10 0 AFAERO C[C@@H]([NH2+][C@H]1CC1(C)C)c1cncs1 162863454 344214891 /nfs/dbraw/zinc/21/48/91/344214891.db2.gz IEZDPODZGSIILE-APPZFPTMSA-N 1 0 196.319 2.592 10 0 AFAERO C[C@]1([C@@H]([NH3+])c2ccco2)CCCS1 162862896 344214899 /nfs/dbraw/zinc/21/48/99/344214899.db2.gz ZKHPGFYCCXNZMW-VHSXEESVSA-N 1 0 197.303 2.565 10 0 AFAERO C[C@@H]([NH2+][C@@H]1CC1(C)C)c1cscn1 162860671 344214951 /nfs/dbraw/zinc/21/49/51/344214951.db2.gz WDFANPFSDSDDMA-VXNVDRBHSA-N 1 0 196.319 2.592 10 0 AFAERO CC(C)(C)[C@H]([NH3+])c1ccncc1Cl 162853093 344214995 /nfs/dbraw/zinc/21/49/95/344214995.db2.gz ARIQIFPRRNPZRE-SECBINFHSA-N 1 0 198.697 2.781 10 0 AFAERO C[C@]1([C@H]([NH3+])c2ccco2)CCCS1 162862643 344215097 /nfs/dbraw/zinc/21/50/97/344215097.db2.gz ZKHPGFYCCXNZMW-NXEZZACHSA-N 1 0 197.303 2.565 10 0 AFAERO C[C@@]1([C@H]([NH3+])c2ccco2)CCCS1 162862764 344215113 /nfs/dbraw/zinc/21/51/13/344215113.db2.gz ZKHPGFYCCXNZMW-ZJUUUORDSA-N 1 0 197.303 2.565 10 0 AFAERO C[C@H]([NH2+][C@@H]1CC1(C)C)c1cscn1 162860540 344215155 /nfs/dbraw/zinc/21/51/55/344215155.db2.gz WDFANPFSDSDDMA-IONNQARKSA-N 1 0 196.319 2.592 10 0 AFAERO C[C@@H]([NH2+][C@@H]1CC1(C)C)c1cncs1 162863179 344215178 /nfs/dbraw/zinc/21/51/78/344215178.db2.gz IEZDPODZGSIILE-VXNVDRBHSA-N 1 0 196.319 2.592 10 0 AFAERO C[C@@]1([C@@H]([NH3+])c2ccco2)CCCS1 162863037 344215212 /nfs/dbraw/zinc/21/52/12/344215212.db2.gz ZKHPGFYCCXNZMW-UWVGGRQHSA-N 1 0 197.303 2.565 10 0 AFAERO CC(C)(C)[C@@H]([NH3+])c1ccncc1Cl 162853215 344215219 /nfs/dbraw/zinc/21/52/19/344215219.db2.gz ARIQIFPRRNPZRE-VIFPVBQESA-N 1 0 198.697 2.781 10 0 AFAERO C[C@H]([NH2+][C@H]1CC1(C)C)c1cncs1 162863320 344215227 /nfs/dbraw/zinc/21/52/27/344215227.db2.gz IEZDPODZGSIILE-CBAPKCEASA-N 1 0 196.319 2.592 10 0 AFAERO C[C@H]([NH2+][C@@H]1CC1(C)C)c1cncs1 162863053 344215234 /nfs/dbraw/zinc/21/52/34/344215234.db2.gz IEZDPODZGSIILE-IONNQARKSA-N 1 0 196.319 2.592 10 0 AFAERO C[C@H]([NH2+][C@H]1CC1(C)C)c1cscn1 162860793 344215298 /nfs/dbraw/zinc/21/52/98/344215298.db2.gz WDFANPFSDSDDMA-CBAPKCEASA-N 1 0 196.319 2.592 10 0 AFAERO Cc1cccc(C)c1C[C@@H]([NH3+])C1CC1 162892052 344215675 /nfs/dbraw/zinc/21/56/75/344215675.db2.gz ODNGIZSVHJHYNQ-CYBMUJFWSA-N 1 0 189.302 2.583 10 0 AFAERO Cc1cccc(C)c1C[C@H]([NH3+])C1CC1 162891937 344215706 /nfs/dbraw/zinc/21/57/06/344215706.db2.gz ODNGIZSVHJHYNQ-ZDUSSCGKSA-N 1 0 189.302 2.583 10 0 AFAERO C[C@@H](Nc1cc[nH+]c(N)c1)C(C)(C)C 162943761 344216399 /nfs/dbraw/zinc/21/63/99/344216399.db2.gz HQWAGNBOSXXCDQ-MRVPVSSYSA-N 1 0 193.294 2.510 10 0 AFAERO C[C@H](Nc1cc[nH+]c(N)c1)C(C)(C)C 162943652 344216610 /nfs/dbraw/zinc/21/66/10/344216610.db2.gz HQWAGNBOSXXCDQ-QMMMGPOBSA-N 1 0 193.294 2.510 10 0 AFAERO C[C@@H](CN1CCCC1=[NH2+])C(C)(C)C 163009511 344217670 /nfs/dbraw/zinc/21/76/70/344217670.db2.gz UQNGBOKJLRETMB-VIFPVBQESA-N 1 0 182.311 2.742 10 0 AFAERO Cc1ccc(F)c(C[NH2+]C(C)C)c1F 162999579 344217772 /nfs/dbraw/zinc/21/77/72/344217772.db2.gz USXPBRKJINPNCB-UHFFFAOYSA-N 1 0 199.244 2.771 10 0 AFAERO C[C@H](CN1CCCC1=[NH2+])C(C)(C)C 163009641 344217860 /nfs/dbraw/zinc/21/78/60/344217860.db2.gz UQNGBOKJLRETMB-SECBINFHSA-N 1 0 182.311 2.742 10 0 AFAERO C[C@@H]1C[C@H]1[C@H]([NH3+])C1CCCCCC1 163038649 344218592 /nfs/dbraw/zinc/21/85/92/344218592.db2.gz KGKOLQNHPMSPNX-YUSALJHKSA-N 1 0 181.323 2.940 10 0 AFAERO C[C@@H]1C[C@@H]1[C@H]([NH3+])C1CCCCCC1 163038436 344218806 /nfs/dbraw/zinc/21/88/06/344218806.db2.gz KGKOLQNHPMSPNX-ADEWGFFLSA-N 1 0 181.323 2.940 10 0 AFAERO CC[C@](C)([NH3+])Cc1ccc(F)cc1C 163337338 344222424 /nfs/dbraw/zinc/22/24/24/344222424.db2.gz QNTAMEZADCHWAA-LBPRGKRZSA-N 1 0 195.281 2.804 10 0 AFAERO C[C@H](C1CC1)[C@@H]1CCCCC[NH2+]1 163363882 344222445 /nfs/dbraw/zinc/22/24/45/344222445.db2.gz PBWHCBCDOCXFSM-KOLCDFICSA-N 1 0 167.296 2.565 10 0 AFAERO C[C@H](C1CC1)[C@H]1CCCCC[NH2+]1 163364054 344222498 /nfs/dbraw/zinc/22/24/98/344222498.db2.gz PBWHCBCDOCXFSM-MWLCHTKSSA-N 1 0 167.296 2.565 10 0 AFAERO CC[C@@](C)([NH3+])Cc1ccc(F)cc1C 163337450 344222660 /nfs/dbraw/zinc/22/26/60/344222660.db2.gz QNTAMEZADCHWAA-GFCCVEGCSA-N 1 0 195.281 2.804 10 0 AFAERO C[C@@H](C1CC1)[C@H]1CCCCC[NH2+]1 163363956 344222672 /nfs/dbraw/zinc/22/26/72/344222672.db2.gz PBWHCBCDOCXFSM-GXSJLCMTSA-N 1 0 167.296 2.565 10 0 AFAERO C[C@@H](C1CC1)[C@H]([NH3+])c1ccccc1 163410855 344222875 /nfs/dbraw/zinc/22/28/75/344222875.db2.gz CMFBRWDTJMQHDV-CABZTGNLSA-N 1 0 175.275 2.733 10 0 AFAERO C[C@H](C1CC1)[C@@H]([NH3+])c1ccccc1 163411191 344222913 /nfs/dbraw/zinc/22/29/13/344222913.db2.gz CMFBRWDTJMQHDV-BXKDBHETSA-N 1 0 175.275 2.733 10 0 AFAERO C[C@H](C1CC1)[C@H]([NH3+])c1ccc(F)cc1 163411424 344222978 /nfs/dbraw/zinc/22/29/78/344222978.db2.gz NGSXBUCRLLKFJX-PELKAZGASA-N 1 0 193.265 2.872 10 0 AFAERO C[C@@H](C1CC1)[C@H]([NH3+])c1ccc(F)cc1 163411322 344223105 /nfs/dbraw/zinc/22/31/05/344223105.db2.gz NGSXBUCRLLKFJX-UFBFGSQYSA-N 1 0 193.265 2.872 10 0 AFAERO CCc1c(C[NH3+])oc2c(F)cccc12 163433339 344223501 /nfs/dbraw/zinc/22/35/01/344223501.db2.gz HIFHHBRAMJFRHC-UHFFFAOYSA-N 1 0 193.221 2.593 10 0 AFAERO [NH3+][C@@H](c1ccsc1)[C@H]1CCSC1 163454979 344223699 /nfs/dbraw/zinc/22/36/99/344223699.db2.gz KWVVWWZHLHXFDU-IUCAKERBSA-N 1 0 199.344 2.501 10 0 AFAERO [NH3+][C@H](c1ccsc1)[C@@H]1CCSC1 163454881 344223769 /nfs/dbraw/zinc/22/37/69/344223769.db2.gz KWVVWWZHLHXFDU-RKDXNWHRSA-N 1 0 199.344 2.501 10 0 AFAERO C[C@H](C1CC1)[C@@H]([NH3+])c1ccc(F)cc1 163411672 344223780 /nfs/dbraw/zinc/22/37/80/344223780.db2.gz NGSXBUCRLLKFJX-PRHODGIISA-N 1 0 193.265 2.872 10 0 AFAERO [NH3+][C@@H](c1ccsc1)[C@@H]1CCSC1 163454772 344223828 /nfs/dbraw/zinc/22/38/28/344223828.db2.gz KWVVWWZHLHXFDU-BDAKNGLRSA-N 1 0 199.344 2.501 10 0 AFAERO C[C@@H](C1CC1)[C@@H]([NH3+])c1ccc(F)cc1 163411558 344223832 /nfs/dbraw/zinc/22/38/32/344223832.db2.gz NGSXBUCRLLKFJX-QPUJVOFHSA-N 1 0 193.265 2.872 10 0 AFAERO Cc1cc([C@H]([NH3+])[C@H](C)C2CC2)c(C)o1 163512335 344224087 /nfs/dbraw/zinc/22/40/87/344224087.db2.gz WILOHHKOYUCKOK-PRHODGIISA-N 1 0 193.290 2.942 10 0 AFAERO C[C@H](C1CC1)[C@@H]([NH3+])C1=CCCCC1 163514256 344224120 /nfs/dbraw/zinc/22/41/20/344224120.db2.gz KOWPNXUUAIJVAG-BXKDBHETSA-N 1 0 179.307 2.860 10 0 AFAERO Cc1cc([C@@H]([NH3+])[C@@H](C)C2CC2)c(C)o1 163512215 344224163 /nfs/dbraw/zinc/22/41/63/344224163.db2.gz WILOHHKOYUCKOK-UFBFGSQYSA-N 1 0 193.290 2.942 10 0 AFAERO Cc1cc([C@@H]([NH3+])[C@H](C)C2CC2)c(C)o1 163512450 344224170 /nfs/dbraw/zinc/22/41/70/344224170.db2.gz WILOHHKOYUCKOK-PELKAZGASA-N 1 0 193.290 2.942 10 0 AFAERO Cc1cc([C@H]([NH3+])[C@@H](C)C2CC2)c(C)o1 163512089 344224195 /nfs/dbraw/zinc/22/41/95/344224195.db2.gz WILOHHKOYUCKOK-QPUJVOFHSA-N 1 0 193.290 2.942 10 0 AFAERO C[C@@H](C1CC1)[C@H]([NH3+])C1=CCCCC1 163513926 344224229 /nfs/dbraw/zinc/22/42/29/344224229.db2.gz KOWPNXUUAIJVAG-CABZTGNLSA-N 1 0 179.307 2.860 10 0 AFAERO C[C@H](C1CC1)[C@H]([NH3+])C1=CCCCC1 163514026 344224289 /nfs/dbraw/zinc/22/42/89/344224289.db2.gz KOWPNXUUAIJVAG-SKDRFNHKSA-N 1 0 179.307 2.860 10 0 AFAERO C[C@@H](C1CC1)[C@@H]([NH3+])C1=CCCCC1 163514148 344224318 /nfs/dbraw/zinc/22/43/18/344224318.db2.gz KOWPNXUUAIJVAG-JOYOIKCWSA-N 1 0 179.307 2.860 10 0 AFAERO [NH3+]C[C@H]1C[C@@H]1c1cc(Cl)ccc1F 163581862 344224969 /nfs/dbraw/zinc/22/49/69/344224969.db2.gz UQKNDDOTXMYGQE-SVRRBLITSA-N 1 0 199.656 2.541 10 0 AFAERO [NH3+]C[C@@H]1C[C@H]1c1cc(Cl)ccc1F 163581950 344225094 /nfs/dbraw/zinc/22/50/94/344225094.db2.gz UQKNDDOTXMYGQE-POYBYMJQSA-N 1 0 199.656 2.541 10 0 AFAERO [NH3+]C[C@H]1C[C@H]1c1cc(Cl)ccc1F 163581762 344225117 /nfs/dbraw/zinc/22/51/17/344225117.db2.gz UQKNDDOTXMYGQE-HTRCEHHLSA-N 1 0 199.656 2.541 10 0 AFAERO [NH3+]C[C@@H]1C[C@@H]1c1cc(Cl)ccc1F 163582033 344225207 /nfs/dbraw/zinc/22/52/07/344225207.db2.gz UQKNDDOTXMYGQE-XPUUQOCRSA-N 1 0 199.656 2.541 10 0 AFAERO [NH3+][C@@H](C1CC1)C1CCC(F)(F)CC1 163638690 344226331 /nfs/dbraw/zinc/22/63/31/344226331.db2.gz NMYPSVKLEFWECP-VIFPVBQESA-N 1 0 189.249 2.549 10 0 AFAERO [NH3+][C@H](C1CC1)C1CCC(F)(F)CC1 163638813 344226458 /nfs/dbraw/zinc/22/64/58/344226458.db2.gz NMYPSVKLEFWECP-SECBINFHSA-N 1 0 189.249 2.549 10 0 AFAERO Cc1occc1[C@H]([NH3+])C1CCCC1 163804833 344230137 /nfs/dbraw/zinc/23/01/37/344230137.db2.gz ODVCMOQQIMVFJC-LLVKDONJSA-N 1 0 179.263 2.778 10 0 AFAERO Cc1occc1[C@H]([NH3+])c1ccsc1 163788195 344230156 /nfs/dbraw/zinc/23/01/56/344230156.db2.gz LOJBOGIPNCMBDO-SNVBAGLBSA-N 1 0 193.271 2.698 10 0 AFAERO CC(C)=C[C@H]([NH3+])c1ccoc1C 163803526 344230160 /nfs/dbraw/zinc/23/01/60/344230160.db2.gz LYUGLHGDMBWBLL-JTQLQIEISA-N 1 0 165.236 2.554 10 0 AFAERO CCSCCC[NH2+][C@H](C)CC 163816327 344230699 /nfs/dbraw/zinc/23/06/99/344230699.db2.gz CQPFFDHLOFNZCB-SECBINFHSA-N 1 0 175.341 2.518 10 0 AFAERO C[NH2+][C@H](C=C(C)C)c1ccoc1C 163826819 344230703 /nfs/dbraw/zinc/23/07/03/344230703.db2.gz JTSARQLTLDTODV-LLVKDONJSA-N 1 0 179.263 2.815 10 0 AFAERO C/C(=C/c1ccc(Cl)cc1F)C[NH3+] 163818278 344230807 /nfs/dbraw/zinc/23/08/07/344230807.db2.gz HODDAHLHSPIXCM-DAXSKMNVSA-N 1 0 199.656 2.841 10 0 AFAERO C[NH2+][C@@H](C=C(C)C)c1ccoc1C 163826928 344230867 /nfs/dbraw/zinc/23/08/67/344230867.db2.gz JTSARQLTLDTODV-NSHDSACASA-N 1 0 179.263 2.815 10 0 AFAERO Cc1occc1[C@@H]([NH3+])C1CCCC1 163804954 344230885 /nfs/dbraw/zinc/23/08/85/344230885.db2.gz ODVCMOQQIMVFJC-NSHDSACASA-N 1 0 179.263 2.778 10 0 AFAERO C/C(=C/c1cc(Cl)ccc1F)C[NH3+] 163818397 344230946 /nfs/dbraw/zinc/23/09/46/344230946.db2.gz XZFDAXPGCJDAQN-DAXSKMNVSA-N 1 0 199.656 2.841 10 0 AFAERO CCSCCC[NH2+][C@@H](C)CC 163816465 344230955 /nfs/dbraw/zinc/23/09/55/344230955.db2.gz CQPFFDHLOFNZCB-VIFPVBQESA-N 1 0 175.341 2.518 10 0 AFAERO Cc1ncccc1C[NH2+][C@@H](C)C(C)C 163850017 344230994 /nfs/dbraw/zinc/23/09/94/344230994.db2.gz 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234046967 344710587 /nfs/dbraw/zinc/71/05/87/344710587.db2.gz ALZVOXKAWNLWKR-JTQLQIEISA-N 1 0 181.254 2.852 10 0 AFAERO CC[C@H]([NH3+])[C@H]1CC(C)(C)C[C@@H]1C 234043543 344710632 /nfs/dbraw/zinc/71/06/32/344710632.db2.gz DXYZBLFXDDKMKV-GUBZILKMSA-N 1 0 169.312 2.796 10 0 AFAERO CC[C@@](F)(C[NH3+])C1=CCCCCC1 234041267 344710745 /nfs/dbraw/zinc/71/07/45/344710745.db2.gz BZWXILZKLPQFGV-LLVKDONJSA-N 1 0 185.286 2.954 10 0 AFAERO CC[C@H]([NH3+])c1c(C)cc(C)cc1F 234046958 344710814 /nfs/dbraw/zinc/71/08/14/344710814.db2.gz IRYNARAPKWXWBP-JTQLQIEISA-N 1 0 181.254 2.852 10 0 AFAERO CC[C@H]1C[C@@H]1NC(=[NH2+])C1CCCCC1 234068206 344711807 /nfs/dbraw/zinc/71/18/07/344711807.db2.gz ZXRPTLGONIEYEP-ONGXEEELSA-N 1 0 194.322 2.932 10 0 AFAERO CC[C@H]1Cc2c(F)ccc(C)c2C[NH2+]1 234111269 344712758 /nfs/dbraw/zinc/71/27/58/344712758.db2.gz FYCDJEXFTQQVQL-VIFPVBQESA-N 1 0 193.265 2.558 10 0 AFAERO CC[C@H]1Cc2c(C)ccc(F)c2C[NH2+]1 234110719 344712761 /nfs/dbraw/zinc/71/27/61/344712761.db2.gz 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CC[C@@H]1CC[C@H]1[NH2+][C@H]1CC1(C)C 306475430 345340556 /nfs/dbraw/zinc/34/05/56/345340556.db2.gz HMIUJMJCHJXLCT-BBBLOLIVSA-N 1 0 167.296 2.563 10 0 AFAERO CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC1(C)C 306475431 345340569 /nfs/dbraw/zinc/34/05/69/345340569.db2.gz HMIUJMJCHJXLCT-KXUCPTDWSA-N 1 0 167.296 2.563 10 0 AFAERO CC[C@@]1(C)C[NH2+][C@@H]1c1nc(C)cs1 306475953 345340823 /nfs/dbraw/zinc/34/08/23/345340823.db2.gz INEVBCJZLGMHLU-SCZZXKLOSA-N 1 0 196.319 2.512 10 0 AFAERO CC1(CC2(F)CC([NH3+])C2)CCCC1 306475814 345340832 /nfs/dbraw/zinc/34/08/32/345340832.db2.gz YAZMSKWWUHQJIM-UHFFFAOYSA-N 1 0 185.286 2.786 10 0 AFAERO C[C@@H]1CCCC[C@@]1(C)NC(=[NH2+])C1CC1 306475705 345340835 /nfs/dbraw/zinc/34/08/35/345340835.db2.gz XLZAGPHUKWMGSS-BXKDBHETSA-N 1 0 194.322 2.932 10 0 AFAERO CC[C@@]1(C)C[NH2+][C@H]1c1nc(C)cs1 306475959 345340900 /nfs/dbraw/zinc/34/09/00/345340900.db2.gz INEVBCJZLGMHLU-WPRPVWTQSA-N 1 0 196.319 2.512 10 0 AFAERO C[C@H]1CCCC[C@]1(C)NC(=[NH2+])C1CC1 306475706 345340930 /nfs/dbraw/zinc/34/09/30/345340930.db2.gz XLZAGPHUKWMGSS-CABZTGNLSA-N 1 0 194.322 2.932 10 0 AFAERO CC[C@]1(C)C[NH2+][C@@H]1c1nc(C)cs1 306475951 345340993 /nfs/dbraw/zinc/34/09/93/345340993.db2.gz INEVBCJZLGMHLU-PSASIEDQSA-N 1 0 196.319 2.512 10 0 AFAERO CC[C@]1(C)C[NH2+][C@H]1c1nc(C)cs1 306475956 345341016 /nfs/dbraw/zinc/34/10/16/345341016.db2.gz INEVBCJZLGMHLU-WCBMZHEXSA-N 1 0 196.319 2.512 10 0 AFAERO C[C@H]1CCCC[C@@]1(C)NC(=[NH2+])C1CC1 306475707 345341094 /nfs/dbraw/zinc/34/10/94/345341094.db2.gz XLZAGPHUKWMGSS-JOYOIKCWSA-N 1 0 194.322 2.932 10 0 AFAERO C[C@@H]1CCCC[C@]1(C)NC(=[NH2+])C1CC1 306476080 345341711 /nfs/dbraw/zinc/34/17/11/345341711.db2.gz XLZAGPHUKWMGSS-SKDRFNHKSA-N 1 0 194.322 2.932 10 0 AFAERO c1cc([C@H]2[NH2+]CC23CCCC3)cs1 306476758 345342989 /nfs/dbraw/zinc/34/29/89/345342989.db2.gz JUOWPZXLWLWWCH-SNVBAGLBSA-N 1 0 193.315 2.953 10 0 AFAERO c1cc([C@@H]2[NH2+]CC23CCCC3)cs1 306476755 345343079 /nfs/dbraw/zinc/34/30/79/345343079.db2.gz JUOWPZXLWLWWCH-JTQLQIEISA-N 1 0 193.315 2.953 10 0 AFAERO CC[NH+](CC)[C@H]1CC(C)(C)OC1(C)C 306479960 345347155 /nfs/dbraw/zinc/34/71/55/345347155.db2.gz ILKTYMOSZVNLSO-JTQLQIEISA-N 1 0 199.338 2.674 10 0 AFAERO CC[NH+](CC)[C@@H]1CC(C)(C)OC1(C)C 306479962 345347469 /nfs/dbraw/zinc/34/74/69/345347469.db2.gz ILKTYMOSZVNLSO-SNVBAGLBSA-N 1 0 199.338 2.674 10 0 AFAERO Cc1scc(C[NH3+])c1[C@@H]1C[C@@H]1C 306480646 345348468 /nfs/dbraw/zinc/34/84/68/345348468.db2.gz JHYKGAMGCYRSLP-IMTBSYHQSA-N 1 0 181.304 2.639 10 0 AFAERO Cc1scc(C[NH3+])c1[C@H]1C[C@@H]1C 306480648 345348553 /nfs/dbraw/zinc/34/85/53/345348553.db2.gz JHYKGAMGCYRSLP-RCOVLWMOSA-N 1 0 181.304 2.639 10 0 AFAERO Cc1scc(C[NH3+])c1[C@@H]1C[C@H]1C 306480645 345348650 /nfs/dbraw/zinc/34/86/50/345348650.db2.gz JHYKGAMGCYRSLP-HZGVNTEJSA-N 1 0 181.304 2.639 10 0 AFAERO CCC(=[NH2+])N1CCCC12CCCC2 306480379 345348682 /nfs/dbraw/zinc/34/86/82/345348682.db2.gz CAUWXXMBTWPJNT-UHFFFAOYSA-N 1 0 180.295 2.782 10 0 AFAERO CC1CC[NH+](CC=C2CCC2)CC1 306480585 345348711 /nfs/dbraw/zinc/34/87/11/345348711.db2.gz JACZLHJHIQJENU-UHFFFAOYSA-N 1 0 179.307 2.829 10 0 AFAERO CCC(=O)C[NH+]1CCCCCCCC1 306480650 345348756 /nfs/dbraw/zinc/34/87/56/345348756.db2.gz JILHSWUKWLXKFP-UHFFFAOYSA-N 1 0 197.322 2.622 10 0 AFAERO CC(C)C1CCC([C@H]2C[C@@H]2[NH3+])CC1 306481621 345349676 /nfs/dbraw/zinc/34/96/76/345349676.db2.gz OADHVUMPAXNHNY-HCWSGVFWSA-N 1 0 181.323 2.796 10 0 AFAERO CC(C)C1CCC([C@@H]2C[C@@H]2[NH3+])CC1 306481638 345349807 /nfs/dbraw/zinc/34/98/07/345349807.db2.gz OADHVUMPAXNHNY-QQFIATSDSA-N 1 0 181.323 2.796 10 0 AFAERO CC(C)C1CCC([C@H]2C[C@H]2[NH3+])CC1 306481628 345349995 /nfs/dbraw/zinc/34/99/95/345349995.db2.gz OADHVUMPAXNHNY-KIDURHIOSA-N 1 0 181.323 2.796 10 0 AFAERO CC(C)C1CCC([C@@H]2C[C@H]2[NH3+])CC1 306481636 345350014 /nfs/dbraw/zinc/35/00/14/345350014.db2.gz OADHVUMPAXNHNY-MMVSWEMESA-N 1 0 181.323 2.796 10 0 AFAERO CC(C)[C@@H]1C[NH2+]CC[C@]1(C)[C@H]1C[C@H]1C 306482747 345351414 /nfs/dbraw/zinc/35/14/14/345351414.db2.gz KWTOJOXOUWOTMX-MROQNXINSA-N 1 0 195.350 2.914 10 0 AFAERO CC(C)[C@@H]1C[NH2+]CC[C@]1(C)[C@@H]1C[C@H]1C 306482745 345351165 /nfs/dbraw/zinc/35/11/65/345351165.db2.gz KWTOJOXOUWOTMX-FVCCEPFGSA-N 1 0 195.350 2.914 10 0 AFAERO CC(C)C[C@H]([NH3+])c1cncc(Cl)c1 306482557 345351283 /nfs/dbraw/zinc/35/12/83/345351283.db2.gz OIIZEJSNKQZRQK-JTQLQIEISA-N 1 0 198.697 2.781 10 0 AFAERO CC(C)C[C@@H]([NH3+])c1cncc(Cl)c1 306482558 345351382 /nfs/dbraw/zinc/35/13/82/345351382.db2.gz OIIZEJSNKQZRQK-SNVBAGLBSA-N 1 0 198.697 2.781 10 0 AFAERO CC(C)[C@@H]1C[NH2+]CC[C@]1(C)[C@@H]1C[C@@H]1C 306482749 345351387 /nfs/dbraw/zinc/35/13/87/345351387.db2.gz KWTOJOXOUWOTMX-QNWHQSFQSA-N 1 0 195.350 2.914 10 0 AFAERO CC(C)[C@@H]1C[NH2+]CC[C@]1(C)[C@H]1C[C@@H]1C 306482752 345351422 /nfs/dbraw/zinc/35/14/22/345351422.db2.gz KWTOJOXOUWOTMX-ZDEQEGDKSA-N 1 0 195.350 2.914 10 0 AFAERO Cc1csc(C[NH2+]C2CCC2)c1 306483352 345351745 /nfs/dbraw/zinc/35/17/45/345351745.db2.gz FHACLAPPPKLLHZ-UHFFFAOYSA-N 1 0 181.304 2.699 10 0 AFAERO C1CCC([NH2+]C23CCC(CC2)C3)C1 306484050 345352588 /nfs/dbraw/zinc/35/25/88/345352588.db2.gz FXLDVGJIIUEZDX-UHFFFAOYSA-N 1 0 179.307 2.851 10 0 AFAERO C[C@H]1CCC[C@@H]([NH2+][C@@H](C)CF)C1 306484310 345353305 /nfs/dbraw/zinc/35/33/05/345353305.db2.gz PQIUPRVDEDUHNC-LPEHRKFASA-N 1 0 173.275 2.513 10 0 AFAERO C[C@H]1CCC[C@H]([NH2+][C@@H](C)CF)C1 306484307 345353366 /nfs/dbraw/zinc/35/33/66/345353366.db2.gz PQIUPRVDEDUHNC-GUBZILKMSA-N 1 0 173.275 2.513 10 0 AFAERO CC(=[NH2+])NCC1CCC(C)(C)CC1 306484592 345353982 /nfs/dbraw/zinc/35/39/82/345353982.db2.gz GJZSYLHVZKIYIQ-UHFFFAOYSA-N 1 0 182.311 2.790 10 0 AFAERO C[C@H]1CCC[N@@H+]1CCc1ccsc1 306484654 345354047 /nfs/dbraw/zinc/35/40/47/345354047.db2.gz MKQVFRYVCQJIGO-JTQLQIEISA-N 1 0 195.331 2.775 10 0 AFAERO C[C@@H]1CCC[N@@H+]1CCc1ccsc1 306484655 345354062 /nfs/dbraw/zinc/35/40/62/345354062.db2.gz MKQVFRYVCQJIGO-SNVBAGLBSA-N 1 0 195.331 2.775 10 0 AFAERO CC(C)(C1CCC1)[C@H]([NH3+])C1CCC1 306485109 345354460 /nfs/dbraw/zinc/35/44/60/345354460.db2.gz GOAINGZBJIXLGO-LLVKDONJSA-N 1 0 181.323 2.940 10 0 AFAERO CC(C)(C1CCC1)[C@@H]([NH3+])C1CCC1 306485110 345354700 /nfs/dbraw/zinc/35/47/00/345354700.db2.gz GOAINGZBJIXLGO-NSHDSACASA-N 1 0 181.323 2.940 10 0 AFAERO C1CCC2(CC1)C[NH2+][C@@H]2C1CCC1 306485765 345355464 /nfs/dbraw/zinc/35/54/64/345355464.db2.gz ROSIVZQZMGWDTQ-LLVKDONJSA-N 1 0 179.307 2.709 10 0 AFAERO C1CCC2(CC1)C[NH2+][C@H]2C1CCC1 306485766 345355626 /nfs/dbraw/zinc/35/56/26/345355626.db2.gz ROSIVZQZMGWDTQ-NSHDSACASA-N 1 0 179.307 2.709 10 0 AFAERO C[NH2+][C@@H](c1cc(C)cs1)C1CC1 306486294 345355997 /nfs/dbraw/zinc/35/59/97/345355997.db2.gz IBVSGUBSSLOYAN-SNVBAGLBSA-N 1 0 181.304 2.727 10 0 AFAERO CC1(C[C@]2(C[NH3+])CCCS2)CCC1 306486316 345356047 /nfs/dbraw/zinc/35/60/47/345356047.db2.gz IEKAOGGAOIWCRM-NSHDSACASA-N 1 0 199.363 2.791 10 0 AFAERO CC1(C[C@@]2(C[NH3+])CCCS2)CCC1 306486315 345356057 /nfs/dbraw/zinc/35/60/57/345356057.db2.gz IEKAOGGAOIWCRM-LLVKDONJSA-N 1 0 199.363 2.791 10 0 AFAERO C[NH2+][C@H](c1cc(C)cs1)C1CC1 306486293 345356279 /nfs/dbraw/zinc/35/62/79/345356279.db2.gz IBVSGUBSSLOYAN-JTQLQIEISA-N 1 0 181.304 2.727 10 0 AFAERO C[C@H]1C[NH2+]CC[C@]1(F)c1cccs1 306486660 345356501 /nfs/dbraw/zinc/35/65/01/345356501.db2.gz SUEKJWZMSJPDMK-WCBMZHEXSA-N 1 0 199.294 2.542 10 0 AFAERO C[C@H]1C[NH2+]CC[C@@]1(F)c1cccs1 306486661 345356665 /nfs/dbraw/zinc/35/66/65/345356665.db2.gz SUEKJWZMSJPDMK-WPRPVWTQSA-N 1 0 199.294 2.542 10 0 AFAERO C[C@@H]1C[NH2+]CC[C@]1(F)c1cccs1 306486658 345356744 /nfs/dbraw/zinc/35/67/44/345356744.db2.gz SUEKJWZMSJPDMK-PSASIEDQSA-N 1 0 199.294 2.542 10 0 AFAERO C[C@@H]1C[C@H]1[NH2+][C@@H]1CCc2ccsc21 306486883 345357093 /nfs/dbraw/zinc/35/70/93/345357093.db2.gz PAUMPGHZFSTGFP-SZEHBUNVSA-N 1 0 193.315 2.733 10 0 AFAERO C[C@@H]1C[C@H]1[NH2+][C@H]1CCc2ccsc21 306486875 345357095 /nfs/dbraw/zinc/35/70/95/345357095.db2.gz PAUMPGHZFSTGFP-FKTZTGRPSA-N 1 0 193.315 2.733 10 0 AFAERO CC[C@@H]1C[N@@H+](C2CC(C)C2)CCS1 306487051 345357179 /nfs/dbraw/zinc/35/71/79/345357179.db2.gz JOXDETLGGHCMQX-VQXHTEKXSA-N 1 0 199.363 2.612 10 0 AFAERO CC[C@H]1C[N@@H+](C2CC(C)C2)CCS1 306487044 345357294 /nfs/dbraw/zinc/35/72/94/345357294.db2.gz JOXDETLGGHCMQX-ILDUYXDCSA-N 1 0 199.363 2.612 10 0 AFAERO C[C@@H]1C[C@@H]1[NH2+][C@H]1CCc2ccsc21 306486879 345357309 /nfs/dbraw/zinc/35/73/09/345357309.db2.gz PAUMPGHZFSTGFP-JEZHCXPESA-N 1 0 193.315 2.733 10 0 AFAERO CC[C@@]1(Cc2ccoc2C)CCC[NH2+]1 306488821 345359537 /nfs/dbraw/zinc/35/95/37/345359537.db2.gz SHHJWJQTCYYJEZ-LBPRGKRZSA-N 1 0 193.290 2.663 10 0 AFAERO CC[C@]1(Cc2ccoc2C)CCC[NH2+]1 306488820 345359544 /nfs/dbraw/zinc/35/95/44/345359544.db2.gz SHHJWJQTCYYJEZ-GFCCVEGCSA-N 1 0 193.290 2.663 10 0 AFAERO CC(C)[C@H]1CC[N@@H+]1Cc1ccoc1 306489625 345361105 /nfs/dbraw/zinc/36/11/05/345361105.db2.gz TYOXGQOGYXOZCQ-LLVKDONJSA-N 1 0 179.263 2.510 10 0 AFAERO CC[C@H]1CC[N@H+](C2CCC2)[C@H]1C 306489784 345361157 /nfs/dbraw/zinc/36/11/57/345361157.db2.gz XLHASOKGSRMDHM-UWVGGRQHSA-N 1 0 167.296 2.659 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/nfs/dbraw/zinc/53/65/42/345536542.db2.gz QEJHWDSQTQAINZ-UHFFFAOYSA-N 1 0 191.265 2.939 10 0 AFAERO CSCC[N@@H+]1CCCC12CCCC2 306674492 345536607 /nfs/dbraw/zinc/53/66/07/345536607.db2.gz QLYCZHYXODQSQY-UHFFFAOYSA-N 1 0 199.363 2.758 10 0 AFAERO C[C@@H]1C[C@@H](C)CC([NH3+])(C2CC2)C1 306674754 345536848 /nfs/dbraw/zinc/53/68/48/345536848.db2.gz RADMGISFTXPWBK-RKDXNWHRSA-N 1 0 167.296 2.550 10 0 AFAERO C[C@H]1C[C@H](C)CC([NH3+])(C2CC2)C1 306674753 345536996 /nfs/dbraw/zinc/53/69/96/345536996.db2.gz RADMGISFTXPWBK-IUCAKERBSA-N 1 0 167.296 2.550 10 0 AFAERO C[C@H]1C[C@@H](C)C[C@]([NH3+])(C2CC2)C1 306674752 345537005 /nfs/dbraw/zinc/53/70/05/345537005.db2.gz RADMGISFTXPWBK-DOFRTFSJSA-N 1 0 167.296 2.550 10 0 AFAERO C[C@H]([NH3+])CCc1csc(Cl)c1 306676587 345538483 /nfs/dbraw/zinc/53/84/83/345538483.db2.gz WNSFLORQCRYNRC-LURJTMIESA-N 1 0 189.711 2.681 10 0 AFAERO CC1CC([NH2+]C2CCC(F)CC2)C1 306676566 345538503 /nfs/dbraw/zinc/53/85/03/345538503.db2.gz WMCLHTDSHATMDF-UHFFFAOYSA-N 1 0 185.286 2.655 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/nfs/dbraw/zinc/53/95/33/345539533.db2.gz ZIQRFZAYBUZWAH-YUMQZZPRSA-N 1 0 195.228 2.846 10 0 AFAERO CC[C@@H]1CC[C@]([NH3+])(CC(F)(F)F)C1 306677602 345539461 /nfs/dbraw/zinc/53/94/61/345539461.db2.gz ZIQRFZAYBUZWAH-HTQZYQBOSA-N 1 0 195.228 2.846 10 0 AFAERO CC[C@@H]1CC[C@@]([NH3+])(CC(F)(F)F)C1 306677604 345539629 /nfs/dbraw/zinc/53/96/29/345539629.db2.gz ZIQRFZAYBUZWAH-SFYZADRCSA-N 1 0 195.228 2.846 10 0 AFAERO CC[C@H]1CC[C@]([NH3+])(CC(F)(F)F)C1 306677603 345539701 /nfs/dbraw/zinc/53/97/01/345539701.db2.gz ZIQRFZAYBUZWAH-JGVFFNPUSA-N 1 0 195.228 2.846 10 0 AFAERO CSC1(C[NH+]2[C@H](C)C[C@H]2C)CCC1 306677807 345539905 /nfs/dbraw/zinc/53/99/05/345539905.db2.gz ZWWIPBSRRMVWPZ-NXEZZACHSA-N 1 0 199.363 2.755 10 0 AFAERO CSC1(C[NH+]2[C@@H](C)C[C@@H]2C)CCC1 306677808 345540058 /nfs/dbraw/zinc/54/00/58/345540058.db2.gz ZWWIPBSRRMVWPZ-UWVGGRQHSA-N 1 0 199.363 2.755 10 0 AFAERO CSC1(C[N@@H+]2[C@@H](C)C[C@H]2C)CCC1 306677806 345540175 /nfs/dbraw/zinc/54/01/75/345540175.db2.gz ZWWIPBSRRMVWPZ-AOOOYVTPSA-N 1 0 199.363 2.755 10 0 AFAERO CC(C)[C@@H](NC1=[NH+]CCC1)C1CCC1 306678073 345540449 /nfs/dbraw/zinc/54/04/49/345540449.db2.gz AZEDBHBRVMCQFF-GFCCVEGCSA-N 1 0 194.322 2.593 10 0 AFAERO CC(C)[C@H](NC1=[NH+]CCC1)C1CCC1 306678076 345540477 /nfs/dbraw/zinc/54/04/77/345540477.db2.gz AZEDBHBRVMCQFF-LBPRGKRZSA-N 1 0 194.322 2.593 10 0 AFAERO CC1(C)C[NH2+]CC[C@H]1C1CCCC1 306678219 345540526 /nfs/dbraw/zinc/54/05/26/345540526.db2.gz GYAWUHVVQJBKTE-NSHDSACASA-N 1 0 181.323 2.812 10 0 AFAERO CC[C@@H]1CC[C@H]1[NH2+][C@@H]1CC=CCC1 306678484 345540548 /nfs/dbraw/zinc/54/05/48/345540548.db2.gz BDVXQAHPYJFYPC-IJLUTSLNSA-N 1 0 179.307 2.873 10 0 AFAERO CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC=CCC1 306678485 345540584 /nfs/dbraw/zinc/54/05/84/345540584.db2.gz BDVXQAHPYJFYPC-UTUOFQBUSA-N 1 0 179.307 2.873 10 0 AFAERO CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CC=CCC1 306678486 345540589 /nfs/dbraw/zinc/54/05/89/345540589.db2.gz BDVXQAHPYJFYPC-WOPDTQHZSA-N 1 0 179.307 2.873 10 0 AFAERO CC1(C)C[NH2+]CC[C@@H]1C1CCCC1 306678216 345540592 /nfs/dbraw/zinc/54/05/92/345540592.db2.gz GYAWUHVVQJBKTE-LLVKDONJSA-N 1 0 181.323 2.812 10 0 AFAERO C[C@@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]2C)[C@H](C)C1 306680295 345542301 /nfs/dbraw/zinc/54/23/01/345542301.db2.gz KITKICOSECUVHO-LZQZFOIKSA-N 1 0 181.323 2.809 10 0 AFAERO Cc1sc(C(C)C)nc1[C@H](C)[NH3+] 306680400 345542398 /nfs/dbraw/zinc/54/23/98/345542398.db2.gz KOQHYYCSRGRSJU-LURJTMIESA-N 1 0 184.308 2.595 10 0 AFAERO Cc1sc(C(C)C)nc1[C@@H](C)[NH3+] 306680401 345542418 /nfs/dbraw/zinc/54/24/18/345542418.db2.gz KOQHYYCSRGRSJU-ZCFIWIBFSA-N 1 0 184.308 2.595 10 0 AFAERO CC[C@@H]1[C@H]([NH3+])[C@H](C)[C@H]1c1ccsc1 306681510 345542838 /nfs/dbraw/zinc/54/28/38/345542838.db2.gz ODAOKHVWZOIBML-GRLWKWRFSA-N 1 0 195.331 2.835 10 0 AFAERO CC[C@@H]1[C@H]([NH3+])[C@@H](C)[C@H]1c1ccsc1 306681509 345542927 /nfs/dbraw/zinc/54/29/27/345542927.db2.gz ODAOKHVWZOIBML-DMLMCSCLSA-N 1 0 195.331 2.835 10 0 AFAERO CC[C@H]1[C@@H](c2ccsc2)[C@@H](C)[C@H]1[NH3+] 306681507 345542982 /nfs/dbraw/zinc/54/29/82/345542982.db2.gz ODAOKHVWZOIBML-APHKKCJPSA-N 1 0 195.331 2.835 10 0 AFAERO CC[C@H]1[C@@H](c2ccsc2)[C@H](C)[C@H]1[NH3+] 306681508 345543072 /nfs/dbraw/zinc/54/30/72/345543072.db2.gz ODAOKHVWZOIBML-CPOMMVLXSA-N 1 0 195.331 2.835 10 0 AFAERO [NH3+]C[C@H]1C[C@]12CCCC21CCCC1 306681935 345543243 /nfs/dbraw/zinc/54/32/43/345543243.db2.gz PLCUWCCYMBMYIC-ZYHUDNBSSA-N 1 0 179.307 2.696 10 0 AFAERO [NH3+]C[C@@H]1C[C@@]12CCCC21CCCC1 306681933 345543288 /nfs/dbraw/zinc/54/32/88/345543288.db2.gz PLCUWCCYMBMYIC-JQWIXIFHSA-N 1 0 179.307 2.696 10 0 AFAERO CC[N@H+]([C@@H]1CCCCC1=O)C(C)(C)C 306681952 345543322 /nfs/dbraw/zinc/54/33/22/345543322.db2.gz PMUYQRJNKJEMGO-SNVBAGLBSA-N 1 0 197.322 2.619 10 0 AFAERO [NH3+]C[C@@H]1C[C@]12CCCC21CCCC1 306681932 345543405 /nfs/dbraw/zinc/54/34/05/345543405.db2.gz PLCUWCCYMBMYIC-CMPLNLGQSA-N 1 0 179.307 2.696 10 0 AFAERO C[C@@H]1SCC[NH2+][C@H]1c1ccsc1 306682016 345543419 /nfs/dbraw/zinc/54/34/19/345543419.db2.gz PSKBXMRRCNHFKG-IONNQARKSA-N 1 0 199.344 2.514 10 0 AFAERO C[C@H]1SCC[NH2+][C@H]1c1ccsc1 306682017 345543429 /nfs/dbraw/zinc/54/34/29/345543429.db2.gz PSKBXMRRCNHFKG-VXNVDRBHSA-N 1 0 199.344 2.514 10 0 AFAERO [NH3+]C[C@H]1C[C@@]12CCCC21CCCC1 306681934 345543433 /nfs/dbraw/zinc/54/34/33/345543433.db2.gz PLCUWCCYMBMYIC-PWSUYJOCSA-N 1 0 179.307 2.696 10 0 AFAERO C[C@@H]1SCC[NH2+][C@@H]1c1ccsc1 306682015 345543510 /nfs/dbraw/zinc/54/35/10/345543510.db2.gz PSKBXMRRCNHFKG-CBAPKCEASA-N 1 0 199.344 2.514 10 0 AFAERO C[C@H]1SCC[NH2+][C@@H]1c1ccsc1 306682014 345543517 /nfs/dbraw/zinc/54/35/17/345543517.db2.gz PSKBXMRRCNHFKG-APPZFPTMSA-N 1 0 199.344 2.514 10 0 AFAERO C[C@@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]2C)C[C@H]1C 306682717 345543835 /nfs/dbraw/zinc/54/38/35/345543835.db2.gz SITHBLZJHKRVJA-LZQZFOIKSA-N 1 0 181.323 2.809 10 0 AFAERO C[C@H]1C[NH2+][C@@]2(CC3CCC2CC3)S1 306683877 345544999 /nfs/dbraw/zinc/54/49/99/345544999.db2.gz XSOTXVYVVLVIBV-PMUOWJKOSA-N 1 0 197.347 2.618 10 0 AFAERO C[C@@H]1C[NH2+][C@]2(CC3CCC2CC3)S1 306683875 345545001 /nfs/dbraw/zinc/54/50/01/345545001.db2.gz XSOTXVYVVLVIBV-AGVGLQIMSA-N 1 0 197.347 2.618 10 0 AFAERO C[C@H]1C[NH2+][C@]2(CC3CCC2CC3)S1 306683876 345545122 /nfs/dbraw/zinc/54/51/22/345545122.db2.gz XSOTXVYVVLVIBV-IDWGSYCQSA-N 1 0 197.347 2.618 10 0 AFAERO C[C@@H]1C[NH2+][C@@]2(CC3CCC2CC3)S1 306683878 345545307 /nfs/dbraw/zinc/54/53/07/345545307.db2.gz XSOTXVYVVLVIBV-SFXRXQKFSA-N 1 0 197.347 2.618 10 0 AFAERO CC(C)[C@@H](C)[C@]1(F)CC[C@@H](C)[NH2+]C1 306685971 345546900 /nfs/dbraw/zinc/54/69/00/345546900.db2.gz JQMKJBHDMOHXOD-MXWKQRLJSA-N 1 0 187.302 2.759 10 0 AFAERO CC(C)[C@H](C)[C@@]1(F)CC[C@@H](C)[NH2+]C1 306685972 345546904 /nfs/dbraw/zinc/54/69/04/345546904.db2.gz JQMKJBHDMOHXOD-OUAUKWLOSA-N 1 0 187.302 2.759 10 0 AFAERO CC(C)[C@H](C)[C@]1(F)CC[C@@H](C)[NH2+]C1 306685974 345546968 /nfs/dbraw/zinc/54/69/68/345546968.db2.gz JQMKJBHDMOHXOD-VWYCJHECSA-N 1 0 187.302 2.759 10 0 AFAERO CC(C)[C@@H](C)[C@@]1(F)CC[C@@H](C)[NH2+]C1 306685969 345547017 /nfs/dbraw/zinc/54/70/17/345547017.db2.gz JQMKJBHDMOHXOD-GMTAPVOTSA-N 1 0 187.302 2.759 10 0 AFAERO Cc1[nH+]ccc(N[C@@H]2C[C@@H]2C)c1Cl 306689317 345548212 /nfs/dbraw/zinc/54/82/12/345548212.db2.gz KPRQPQKLLUWKPW-IMTBSYHQSA-N 1 0 196.681 2.864 10 0 AFAERO Cc1[nH+]ccc(N[C@H]2C[C@H]2C)c1Cl 306689318 345548228 /nfs/dbraw/zinc/54/82/28/345548228.db2.gz KPRQPQKLLUWKPW-MUWHJKNJSA-N 1 0 196.681 2.864 10 0 AFAERO Cc1[nH+]ccc(N[C@H]2C[C@@H]2C)c1Cl 306689319 345548235 /nfs/dbraw/zinc/54/82/35/345548235.db2.gz KPRQPQKLLUWKPW-RCOVLWMOSA-N 1 0 196.681 2.864 10 0 AFAERO Cc1[nH+]ccc(N[C@@H]2C[C@H]2C)c1Cl 306689316 345548298 /nfs/dbraw/zinc/54/82/98/345548298.db2.gz KPRQPQKLLUWKPW-HZGVNTEJSA-N 1 0 196.681 2.864 10 0 AFAERO C[C@H]1CC/C(=C/C2CCCC2)C[NH2+]1 306689945 345548709 /nfs/dbraw/zinc/54/87/09/345548709.db2.gz AFCDMWTUNWTAGP-UVIKPUKZSA-N 1 0 179.307 2.875 10 0 AFAERO C[C@@H]1CC/C(=C/C2CCCC2)C[NH2+]1 306689944 345548991 /nfs/dbraw/zinc/54/89/91/345548991.db2.gz AFCDMWTUNWTAGP-BKLZJWBFSA-N 1 0 179.307 2.875 10 0 AFAERO c1ccc(C[NH2+][C@@H]2[C@H]3CCC[C@H]32)cc1 306690723 345549737 /nfs/dbraw/zinc/54/97/37/345549737.db2.gz PQGMZHOPOLECEZ-ITGUQSILSA-N 1 0 187.286 2.575 10 0 AFAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CC=CCC2)[C@@H]1C 306691629 345549935 /nfs/dbraw/zinc/54/99/35/345549935.db2.gz OGNIDTVTNFTQIV-KKOKHZNYSA-N 1 0 179.307 2.729 10 0 AFAERO C[C@@H]1[C@@H]([NH2+][C@@H]2CC=CCC2)C[C@H]1C 306691630 345549984 /nfs/dbraw/zinc/54/99/84/345549984.db2.gz OGNIDTVTNFTQIV-KXNHARMFSA-N 1 0 179.307 2.729 10 0 AFAERO C[C@@H]1[C@@H]([NH2+][C@H]2CC=CCC2)C[C@H]1C 306691631 345550063 /nfs/dbraw/zinc/55/00/63/345550063.db2.gz OGNIDTVTNFTQIV-RHYQMDGZSA-N 1 0 179.307 2.729 10 0 AFAERO C[C@@H]1C[C@H]([NH2+][C@H]2CC=CCC2)[C@@H]1C 306691632 345550247 /nfs/dbraw/zinc/55/02/47/345550247.db2.gz OGNIDTVTNFTQIV-WYUUTHIRSA-N 1 0 179.307 2.729 10 0 AFAERO C[C@@H]1C[NH2+]CC/C1=C\CC1CCC1 306695854 345552735 /nfs/dbraw/zinc/55/27/35/345552735.db2.gz WPFAVQKPKNPGRE-HAAVITCDSA-N 1 0 179.307 2.732 10 0 AFAERO C[C@H]1C[C@H](C)[NH+]1[C@H]1CC[C@@H](C)C1 306697787 345553248 /nfs/dbraw/zinc/55/32/48/345553248.db2.gz CTRXOSFIIYMVGC-RCWTZXSCSA-N 1 0 167.296 2.658 10 0 AFAERO C[C@H]1C[C@@H](C)[N@@H+]1[C@H]1CC[C@@H](C)C1 306697798 345553269 /nfs/dbraw/zinc/55/32/69/345553269.db2.gz CTRXOSFIIYMVGC-ZNSHCXBVSA-N 1 0 167.296 2.658 10 0 AFAERO CC[C@]1(C)C[NH2+][C@@H]1c1ncc(C)s1 306697140 345553475 /nfs/dbraw/zinc/55/34/75/345553475.db2.gz YVAOTWIARDJIBJ-PSASIEDQSA-N 1 0 196.319 2.512 10 0 AFAERO C[C@H]1C[C@@H](C)[N@@H+]1[C@@H]1CC[C@@H](C)C1 306697771 345553527 /nfs/dbraw/zinc/55/35/27/345553527.db2.gz CTRXOSFIIYMVGC-CHWFTXMASA-N 1 0 167.296 2.658 10 0 AFAERO C[C@@H]1CC[C@H]([NH+]2[C@H](C)C[C@H]2C)C1 306697779 345553534 /nfs/dbraw/zinc/55/35/34/345553534.db2.gz CTRXOSFIIYMVGC-DBIOUOCHSA-N 1 0 167.296 2.658 10 0 AFAERO CC[C@@]1(C)C[NH2+][C@@H]1c1ncc(C)s1 306697141 345553565 /nfs/dbraw/zinc/55/35/65/345553565.db2.gz YVAOTWIARDJIBJ-SCZZXKLOSA-N 1 0 196.319 2.512 10 0 AFAERO CC[C@@]1(C)C[NH2+][C@H]1c1ncc(C)s1 306697143 345553579 /nfs/dbraw/zinc/55/35/79/345553579.db2.gz YVAOTWIARDJIBJ-WPRPVWTQSA-N 1 0 196.319 2.512 10 0 AFAERO CC[C@]1(C)C[NH2+][C@H]1c1ncc(C)s1 306697142 345553588 /nfs/dbraw/zinc/55/35/88/345553588.db2.gz YVAOTWIARDJIBJ-WCBMZHEXSA-N 1 0 196.319 2.512 10 0 AFAERO C/C(=C/[C@@H]1CCCC[C@@H]1C)C[NH3+] 306698018 345553647 /nfs/dbraw/zinc/55/36/47/345553647.db2.gz CWQRIFMZCKDSGV-RHJQIECPSA-N 1 0 167.296 2.718 10 0 AFAERO C/C(=C/[C@@H]1CCCC[C@H]1C)C[NH3+] 306698016 345553906 /nfs/dbraw/zinc/55/39/06/345553906.db2.gz CWQRIFMZCKDSGV-QNZWMITPSA-N 1 0 167.296 2.718 10 0 AFAERO C/C(=C/[C@H]1CCCC[C@H]1C)C[NH3+] 306698020 345553947 /nfs/dbraw/zinc/55/39/47/345553947.db2.gz CWQRIFMZCKDSGV-ZNWQGHSCSA-N 1 0 167.296 2.718 10 0 AFAERO C/C(=C/[C@H]1CCCC[C@@H]1C)C[NH3+] 306698014 345553954 /nfs/dbraw/zinc/55/39/54/345553954.db2.gz CWQRIFMZCKDSGV-MHTFJADPSA-N 1 0 167.296 2.718 10 0 AFAERO CC[C@H](C)[C@@H]([NH3+])c1ccc(Cl)nc1 306700748 345555500 /nfs/dbraw/zinc/55/55/00/345555500.db2.gz DYIWKQWXZGONQS-OIBJUYFYSA-N 1 0 198.697 2.781 10 0 AFAERO CC[C@@H](C)[C@@H]([NH3+])c1ccc(Cl)nc1 306700747 345555526 /nfs/dbraw/zinc/55/55/26/345555526.db2.gz DYIWKQWXZGONQS-GMSGAONNSA-N 1 0 198.697 2.781 10 0 AFAERO C[C@H]1CCC[N@@H+]1CC1(C(F)F)CC1 306701070 345555831 /nfs/dbraw/zinc/55/58/31/345555831.db2.gz GBXSLJQIAIKUEP-QMMMGPOBSA-N 1 0 189.249 2.516 10 0 AFAERO C[C@H]1[C@H](C)C[C@H]1[NH2+][C@H]1CC[C@@H](C)C1 306701546 345555871 /nfs/dbraw/zinc/55/58/71/345555871.db2.gz ZGKACRSBASKVDD-LDMBFOFVSA-N 1 0 181.323 2.809 10 0 AFAERO C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)[C@H]2C)C1 306701548 345555900 /nfs/dbraw/zinc/55/59/00/345555900.db2.gz ZGKACRSBASKVDD-PZWNZHSQSA-N 1 0 181.323 2.809 10 0 AFAERO C[C@@H]1CCC[N@@H+]1CC1(C(F)F)CC1 306701067 345555921 /nfs/dbraw/zinc/55/59/21/345555921.db2.gz GBXSLJQIAIKUEP-MRVPVSSYSA-N 1 0 189.249 2.516 10 0 AFAERO C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](C)C2)[C@@H]1C 306701543 345555949 /nfs/dbraw/zinc/55/59/49/345555949.db2.gz ZGKACRSBASKVDD-CSYMLDBXSA-N 1 0 181.323 2.809 10 0 AFAERO C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](C)C2)[C@H]1C 306701550 345556213 /nfs/dbraw/zinc/55/62/13/345556213.db2.gz ZGKACRSBASKVDD-WTPMCQDGSA-N 1 0 181.323 2.809 10 0 AFAERO C[C@@H](C=C1C[NH2+]C1)C1CCCCC1 306701733 345556315 /nfs/dbraw/zinc/55/63/15/345556315.db2.gz HENVRSKMDGWYPT-JTQLQIEISA-N 1 0 179.307 2.732 10 0 AFAERO C[C@@H]([NH2+]C1CSC1)c1cccs1 306702016 345556455 /nfs/dbraw/zinc/55/64/55/345556455.db2.gz ZSKWSUJGHICWRG-SSDOTTSWSA-N 1 0 199.344 2.514 10 0 AFAERO C[C@H](C=C1C[NH2+]C1)C1CCCCC1 306701735 345556516 /nfs/dbraw/zinc/55/65/16/345556516.db2.gz HENVRSKMDGWYPT-SNVBAGLBSA-N 1 0 179.307 2.732 10 0 AFAERO CC(C)CC[N@@H+]1CCCC1(C)C 306703270 345557490 /nfs/dbraw/zinc/55/74/90/345557490.db2.gz AOGYZUGSTXORPY-UHFFFAOYSA-N 1 0 169.312 2.907 10 0 AFAERO C[C@H]1CC[C@@H]1[NH2+]Cc1cccs1 306704379 345558134 /nfs/dbraw/zinc/55/81/34/345558134.db2.gz HDFIPWSWBLDAJD-WPRPVWTQSA-N 1 0 181.304 2.636 10 0 AFAERO CC[C@H](F)C[N@@H+]1CC[C@@H](C)C[C@@H]1C 306706050 345559527 /nfs/dbraw/zinc/55/95/27/345559527.db2.gz LGSHZMYIVIGMPU-VWYCJHECSA-N 1 0 187.302 2.855 10 0 AFAERO CC[C@H](F)C[N@@H+]1CC[C@@H](C)C[C@H]1C 306706047 345559565 /nfs/dbraw/zinc/55/95/65/345559565.db2.gz LGSHZMYIVIGMPU-MXWKQRLJSA-N 1 0 187.302 2.855 10 0 AFAERO CC[C@H](F)C[N@@H+]1CC[C@H](C)C[C@H]1C 306706041 345559626 /nfs/dbraw/zinc/55/96/26/345559626.db2.gz LGSHZMYIVIGMPU-AXFHLTTASA-N 1 0 187.302 2.855 10 0 AFAERO CC[C@H](F)C[N@@H+]1CC[C@H](C)C[C@@H]1C 306706044 345559716 /nfs/dbraw/zinc/55/97/16/345559716.db2.gz LGSHZMYIVIGMPU-DCAQKATOSA-N 1 0 187.302 2.855 10 0 AFAERO C[C@H]1CC[C@H](C)[NH+]1CC=C1CCC1 306707619 345561157 /nfs/dbraw/zinc/56/11/57/345561157.db2.gz JWRVIWYMWOQBMD-QWRGUYRKSA-N 1 0 179.307 2.970 10 0 AFAERO C[C@@H]1CC[C@@H](C)[NH+]1CC=C1CCC1 306707615 345561240 /nfs/dbraw/zinc/56/12/40/345561240.db2.gz JWRVIWYMWOQBMD-GHMZBOCLSA-N 1 0 179.307 2.970 10 0 AFAERO C[C@H]1CC[C@@H](C)[N@@H+]1CC=C1CCC1 306707617 345561493 /nfs/dbraw/zinc/56/14/93/345561493.db2.gz JWRVIWYMWOQBMD-PHIMTYICSA-N 1 0 179.307 2.970 10 0 AFAERO CCON[C@H]1CCCC12CCCC2 306710613 345563367 /nfs/dbraw/zinc/56/33/67/345563367.db2.gz RBILDSUMNGIWKL-JTQLQIEISA-N 1 0 183.295 2.640 10 0 AFAERO CCON[C@@H]1CCCC12CCCC2 306710614 345563493 /nfs/dbraw/zinc/56/34/93/345563493.db2.gz RBILDSUMNGIWKL-SNVBAGLBSA-N 1 0 183.295 2.640 10 0 AFAERO C1CCC2(C1)CCC[C@H]2[C@@H]1CC[NH2+]C1 306711539 345564483 /nfs/dbraw/zinc/56/44/83/345564483.db2.gz SCENNOIXIUCKTM-NEPJUHHUSA-N 1 0 193.334 2.956 10 0 AFAERO CC1(C)CCC[C@@]1([NH3+])c1ccsn1 306711630 345564505 /nfs/dbraw/zinc/56/45/05/345564505.db2.gz SHXBZIVHOAOPIV-SNVBAGLBSA-N 1 0 196.319 2.507 10 0 AFAERO C[C@H](F)CC[N@@H+]1[C@@H](C)CC1(C)C 306711882 345564558 /nfs/dbraw/zinc/56/45/58/345564558.db2.gz NZJCOCFGWONQMM-IUCAKERBSA-N 1 0 173.275 2.607 10 0 AFAERO C1CCC2(C1)CCC[C@@H]2[C@H]1CC[NH2+]C1 306711543 345564598 /nfs/dbraw/zinc/56/45/98/345564598.db2.gz SCENNOIXIUCKTM-NWDGAFQWSA-N 1 0 193.334 2.956 10 0 AFAERO C[C@H](F)CC[N@@H+]1[C@H](C)CC1(C)C 306711881 345564619 /nfs/dbraw/zinc/56/46/19/345564619.db2.gz NZJCOCFGWONQMM-DTWKUNHWSA-N 1 0 173.275 2.607 10 0 AFAERO C[C@@H](F)CC[N@@H+]1[C@H](C)CC1(C)C 306711883 345564663 /nfs/dbraw/zinc/56/46/63/345564663.db2.gz NZJCOCFGWONQMM-RKDXNWHRSA-N 1 0 173.275 2.607 10 0 AFAERO C[C@H]1CC(C)(C)[N@@H+]1CC[C@@H](C)F 306711880 345564712 /nfs/dbraw/zinc/56/47/12/345564712.db2.gz NZJCOCFGWONQMM-BDAKNGLRSA-N 1 0 173.275 2.607 10 0 AFAERO C1CCC2(C1)CCC[C@@H]2[C@@H]1CC[NH2+]C1 306711552 345564782 /nfs/dbraw/zinc/56/47/82/345564782.db2.gz SCENNOIXIUCKTM-VXGBXAGGSA-N 1 0 193.334 2.956 10 0 AFAERO CC1(C)CCC[C@]1([NH3+])c1ccsn1 306711629 345564786 /nfs/dbraw/zinc/56/47/86/345564786.db2.gz SHXBZIVHOAOPIV-JTQLQIEISA-N 1 0 196.319 2.507 10 0 AFAERO C1CCC2(C1)CCC[C@H]2[C@H]1CC[NH2+]C1 306711548 345564879 /nfs/dbraw/zinc/56/48/79/345564879.db2.gz SCENNOIXIUCKTM-RYUDHWBXSA-N 1 0 193.334 2.956 10 0 AFAERO Cc1ccc([C@H]2C=CC[NH2+]2)cc1Cl 306712694 345565049 /nfs/dbraw/zinc/56/50/49/345565049.db2.gz OZHHQMWSTPFKKQ-LLVKDONJSA-N 1 0 193.677 2.849 10 0 AFAERO Cc1ccc([C@@H]2C=CC[NH2+]2)cc1Cl 306712695 345565055 /nfs/dbraw/zinc/56/50/55/345565055.db2.gz OZHHQMWSTPFKKQ-NSHDSACASA-N 1 0 193.677 2.849 10 0 AFAERO C1CC(C(C2CCC2)[C@H]2CC[NH2+]C2)C1 306714852 345566795 /nfs/dbraw/zinc/56/67/95/345566795.db2.gz QZXBKZWOYFWCOI-LBPRGKRZSA-N 1 0 193.334 2.812 10 0 AFAERO CCC[C@@H]1CC[N@@H+](C2CC(C)C2)C1 306714750 345566938 /nfs/dbraw/zinc/56/69/38/345566938.db2.gz XJPBXQXZRFPGHQ-MOENNCHZSA-N 1 0 181.323 2.907 10 0 AFAERO CCC[C@H]1CC[N@@H+](C2CC(C)C2)C1 306714749 345567029 /nfs/dbraw/zinc/56/70/29/345567029.db2.gz XJPBXQXZRFPGHQ-CXQJBGSLSA-N 1 0 181.323 2.907 10 0 AFAERO Cc1ccc([C@@H](C)[NH3+])c(OC2CC2)c1 306715064 345567350 /nfs/dbraw/zinc/56/73/50/345567350.db2.gz YAXMEJXWZYLOMA-SECBINFHSA-N 1 0 191.274 2.556 10 0 AFAERO CC[C@H](F)C[NH+]1C[C@H](C)C[C@@H](C)C1 306715417 345567384 /nfs/dbraw/zinc/56/73/84/345567384.db2.gz YTZDRPPCMRHLAJ-MXWKQRLJSA-N 1 0 187.302 2.712 10 0 AFAERO CC[C@H](F)C[N@@H+]1C[C@@H](C)C[C@@H](C)C1 306715415 345567386 /nfs/dbraw/zinc/56/73/86/345567386.db2.gz YTZDRPPCMRHLAJ-AXFHLTTASA-N 1 0 187.302 2.712 10 0 AFAERO CC[C@H](F)C[NH+]1C[C@@H](C)C[C@H](C)C1 306715416 345567572 /nfs/dbraw/zinc/56/75/72/345567572.db2.gz YTZDRPPCMRHLAJ-DCAQKATOSA-N 1 0 187.302 2.712 10 0 AFAERO CC[C@@H](F)C[N@@H+]1C[C@@H](C)C[C@@H](C)C1 306715418 345568152 /nfs/dbraw/zinc/56/81/52/345568152.db2.gz YTZDRPPCMRHLAJ-OUAUKWLOSA-N 1 0 187.302 2.712 10 0 AFAERO CC1CCC([NH3+])(COC(C)(C)C)CC1 306715482 345568245 /nfs/dbraw/zinc/56/82/45/345568245.db2.gz ZHRQJBRHJWDYSR-UHFFFAOYSA-N 1 0 199.338 2.709 10 0 AFAERO C/C=C/CNc1ccc(N)cc1C 306716868 345568612 /nfs/dbraw/zinc/56/86/12/345568612.db2.gz GEVTTYNGYNJREC-ONEGZZNKSA-N 1 0 176.263 2.565 10 0 AFAERO C[C@@H](c1ccccc1)[N@H+](C)C1CC1 306716476 345568858 /nfs/dbraw/zinc/56/88/58/345568858.db2.gz UBLDXEKWBPQSOZ-JTQLQIEISA-N 1 0 175.275 2.842 10 0 AFAERO C[C@H](c1ccccc1)[N@H+](C)C1CC1 306716477 345568883 /nfs/dbraw/zinc/56/88/83/345568883.db2.gz UBLDXEKWBPQSOZ-SNVBAGLBSA-N 1 0 175.275 2.842 10 0 AFAERO CC1(C)CC([NH2+]C(C)(C)C(F)F)C1 306717662 345569277 /nfs/dbraw/zinc/56/92/77/345569277.db2.gz VNMPOQOIOBSPGU-UHFFFAOYSA-N 1 0 191.265 2.808 10 0 AFAERO Cc1ccc(C[NH+]2CCC2)c(C)c1 306719130 345570290 /nfs/dbraw/zinc/57/02/90/345570290.db2.gz JZXCVQROZLMJIF-UHFFFAOYSA-N 1 0 175.275 2.509 10 0 AFAERO C[C@@H]1CC[C@@H]1[NH2+]Cc1cccc(F)c1 306721256 345572161 /nfs/dbraw/zinc/57/21/61/345572161.db2.gz HTVQFKQWCCZUEV-SKDRFNHKSA-N 1 0 193.265 2.714 10 0 AFAERO C[C@@H]1CC[C@H]1[NH2+]Cc1cccc(F)c1 306721253 345572294 /nfs/dbraw/zinc/57/22/94/345572294.db2.gz HTVQFKQWCCZUEV-BXKDBHETSA-N 1 0 193.265 2.714 10 0 AFAERO C[C@H]1CC[C@@H]1[NH2+]Cc1cccc(F)c1 306721254 345572306 /nfs/dbraw/zinc/57/23/06/345572306.db2.gz HTVQFKQWCCZUEV-CABZTGNLSA-N 1 0 193.265 2.714 10 0 AFAERO Fc1ccccc1[C@@H]1CCCC[NH2+]C1 306722004 345572397 /nfs/dbraw/zinc/57/23/97/345572397.db2.gz PIYSBRBWQRNXLO-SNVBAGLBSA-N 1 0 193.265 2.683 10 0 AFAERO Fc1ccccc1[C@H]1CCCC[NH2+]C1 306722003 345572485 /nfs/dbraw/zinc/57/24/85/345572485.db2.gz PIYSBRBWQRNXLO-JTQLQIEISA-N 1 0 193.265 2.683 10 0 AFAERO CC1(C)[C@@H]([NH3+])[C@]12CCCC21CCC1 306722197 345572989 /nfs/dbraw/zinc/57/29/89/345572989.db2.gz IOVIZXOPPIVVCD-BXKDBHETSA-N 1 0 179.307 2.694 10 0 AFAERO Cc1cc(C)cc(CC2CC([NH3+])C2)c1 306722591 345573001 /nfs/dbraw/zinc/57/30/01/345573001.db2.gz FWCMFWWEPXKLRT-UHFFFAOYSA-N 1 0 189.302 2.583 10 0 AFAERO CC1(C)[C@@H]([NH3+])[C@@]12CCCC21CCC1 306722200 345573106 /nfs/dbraw/zinc/57/31/06/345573106.db2.gz IOVIZXOPPIVVCD-SKDRFNHKSA-N 1 0 179.307 2.694 10 0 AFAERO CC1(C)[C@H]([NH3+])[C@]12CCCC21CCC1 306722199 345573196 /nfs/dbraw/zinc/57/31/96/345573196.db2.gz IOVIZXOPPIVVCD-JOYOIKCWSA-N 1 0 179.307 2.694 10 0 AFAERO CC1(C)[C@H]([NH3+])[C@@]12CCCC21CCC1 306722198 345573283 /nfs/dbraw/zinc/57/32/83/345573283.db2.gz IOVIZXOPPIVVCD-CABZTGNLSA-N 1 0 179.307 2.694 10 0 AFAERO CC(C)[C@@H]1C[NH2+][C@H]1[C@H](C)C(C)(C)C 306723825 345573676 /nfs/dbraw/zinc/57/36/76/345573676.db2.gz SUJABOGYQRJQHV-DCAQKATOSA-N 1 0 183.339 2.913 10 0 AFAERO CC(C)[C@@H]1C[NH2+][C@H]1[C@@H](C)C(C)(C)C 306723828 345573912 /nfs/dbraw/zinc/57/39/12/345573912.db2.gz SUJABOGYQRJQHV-VWYCJHECSA-N 1 0 183.339 2.913 10 0 AFAERO CC(C)[C@@H]1C[NH2+][C@@H]1[C@@H](C)C(C)(C)C 306723827 345574155 /nfs/dbraw/zinc/57/41/55/345574155.db2.gz SUJABOGYQRJQHV-OUAUKWLOSA-N 1 0 183.339 2.913 10 0 AFAERO C[C@@H]1CC[C@@H]2CCCC[C@@H]2[C@H]1[NH3+] 306724283 345574422 /nfs/dbraw/zinc/57/44/22/345574422.db2.gz UPOYVVCPFWKNPV-RCWTZXSCSA-N 1 0 167.296 2.550 10 0 AFAERO C[C@@H]1CC[C@@H]2CCCC[C@H]2[C@@H]1[NH3+] 306724282 345574919 /nfs/dbraw/zinc/57/49/19/345574919.db2.gz UPOYVVCPFWKNPV-LMLFDSFASA-N 1 0 167.296 2.550 10 0 AFAERO C[C@@H]1CC[C@@H]2CCCC[C@H]2[C@H]1[NH3+] 306724284 345574956 /nfs/dbraw/zinc/57/49/56/345574956.db2.gz UPOYVVCPFWKNPV-YTWAJWBKSA-N 1 0 167.296 2.550 10 0 AFAERO Cc1ccc([C@@H]2C=CC[NH2+]2)cc1C 306725573 345575810 /nfs/dbraw/zinc/57/58/10/345575810.db2.gz KUPANBFLAVFULH-LBPRGKRZSA-N 1 0 173.259 2.504 10 0 AFAERO Cc1ccc([C@H]2C=CC[NH2+]2)cc1C 306725572 345575891 /nfs/dbraw/zinc/57/58/91/345575891.db2.gz KUPANBFLAVFULH-GFCCVEGCSA-N 1 0 173.259 2.504 10 0 AFAERO FC1(C[NH2+][C@@H]2CCC23CCC3)CCC1 306725537 345575918 /nfs/dbraw/zinc/57/59/18/345575918.db2.gz KQEOUTJXTWCZRH-SNVBAGLBSA-N 1 0 197.297 2.801 10 0 AFAERO FC1(C[NH2+][C@H]2CCC23CCC3)CCC1 306725536 345576062 /nfs/dbraw/zinc/57/60/62/345576062.db2.gz KQEOUTJXTWCZRH-JTQLQIEISA-N 1 0 197.297 2.801 10 0 AFAERO CCC(C)(C)[C@H]1[NH2+]C(C)(C)CS1 306725889 345576137 /nfs/dbraw/zinc/57/61/37/345576137.db2.gz YBVQCVMTFQEFSJ-QMMMGPOBSA-N 1 0 187.352 2.864 10 0 AFAERO CCC(C)(C)[C@@H]1[NH2+]C(C)(C)CS1 306725888 345576326 /nfs/dbraw/zinc/57/63/26/345576326.db2.gz YBVQCVMTFQEFSJ-MRVPVSSYSA-N 1 0 187.352 2.864 10 0 AFAERO C[C@@H]1C[C@@H](NC(=[NH2+])C(C)(C)C)[C@@H]1C 306726842 345576382 /nfs/dbraw/zinc/57/63/82/345576382.db2.gz IZWKVEQLEXLKBX-IWSPIJDZSA-N 1 0 182.311 2.644 10 0 AFAERO C[C@@H]1[C@@H](NC(=[NH2+])C(C)(C)C)C[C@H]1C 306726846 345576655 /nfs/dbraw/zinc/57/66/55/345576655.db2.gz IZWKVEQLEXLKBX-VGMNWLOBSA-N 1 0 182.311 2.644 10 0 AFAERO C[C@H]1[C@H](C)C[C@H]1NC(=[NH2+])C(C)(C)C 306726839 345576743 /nfs/dbraw/zinc/57/67/43/345576743.db2.gz IZWKVEQLEXLKBX-HRDYMLBCSA-N 1 0 182.311 2.644 10 0 AFAERO C[C@@H]1C[C@H](NC(=[NH2+])C(C)(C)C)[C@@H]1C 306726835 345576780 /nfs/dbraw/zinc/57/67/80/345576780.db2.gz IZWKVEQLEXLKBX-HLTSFMKQSA-N 1 0 182.311 2.644 10 0 AFAERO CC[C@H]1C[N@H+](CC=C(C)C)CCS1 306727260 345577410 /nfs/dbraw/zinc/57/74/10/345577410.db2.gz BFDZBFTUHGZSBJ-NSHDSACASA-N 1 0 199.363 2.780 10 0 AFAERO CC[C@@H]1C[N@H+](CC=C(C)C)CCS1 306727247 345577471 /nfs/dbraw/zinc/57/74/71/345577471.db2.gz BFDZBFTUHGZSBJ-LLVKDONJSA-N 1 0 199.363 2.780 10 0 AFAERO CC(C)[NH2+]C[C@]1(C)CC[C@@H](C)C1 306730077 345579260 /nfs/dbraw/zinc/57/92/60/345579260.db2.gz 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345584541 /nfs/dbraw/zinc/58/45/41/345584541.db2.gz RQTVWORPWVIWBQ-MWLCHTKSSA-N 1 0 195.331 2.681 10 0 AFAERO Cc1cc([C@@]2(C)[C@@H]([NH3+])C2(C)C)cs1 306737798 345584551 /nfs/dbraw/zinc/58/45/51/345584551.db2.gz RQTVWORPWVIWBQ-ONGXEEELSA-N 1 0 195.331 2.681 10 0 AFAERO Cc1cc([C@@]2(C)[C@H]([NH3+])C2(C)C)cs1 306737796 345584649 /nfs/dbraw/zinc/58/46/49/345584649.db2.gz RQTVWORPWVIWBQ-KOLCDFICSA-N 1 0 195.331 2.681 10 0 AFAERO Cc1cc([C@]2(C)[C@@H]([NH3+])C2(C)C)cs1 306737795 345584895 /nfs/dbraw/zinc/58/48/95/345584895.db2.gz RQTVWORPWVIWBQ-GXSJLCMTSA-N 1 0 195.331 2.681 10 0 AFAERO C[C@H]1CC(C2(C[NH3+])CC2)C[C@H](C)C1 306738204 345585087 /nfs/dbraw/zinc/58/50/87/345585087.db2.gz BQJSJHPYQQRFKA-NXEZZACHSA-N 1 0 181.323 2.798 10 0 AFAERO CC(C)C[C@]1(c2ccc[nH]2)CCC[NH2+]1 306738783 345585142 /nfs/dbraw/zinc/58/51/42/345585142.db2.gz AQBVSXGWWJUJGM-LBPRGKRZSA-N 1 0 192.306 2.640 10 0 AFAERO CC(C)C[C@@]1(c2ccc[nH]2)CCC[NH2+]1 306738772 345585237 /nfs/dbraw/zinc/58/52/37/345585237.db2.gz AQBVSXGWWJUJGM-GFCCVEGCSA-N 1 0 192.306 2.640 10 0 AFAERO CCS[C@H]1CCCC[N@@H+](C2CC2)C1 306738333 345585240 /nfs/dbraw/zinc/58/52/40/345585240.db2.gz AEYBFVVGKGNMDM-NSHDSACASA-N 1 0 199.363 2.756 10 0 AFAERO C[C@H]1C[C@@H](C)C[C@H](C2(C[NH3+])CC2)C1 306738219 345585255 /nfs/dbraw/zinc/58/52/55/345585255.db2.gz BQJSJHPYQQRFKA-URLYPYJESA-N 1 0 181.323 2.798 10 0 AFAERO CCS[C@@H]1CCCC[N@@H+](C2CC2)C1 306738331 345585273 /nfs/dbraw/zinc/58/52/73/345585273.db2.gz AEYBFVVGKGNMDM-LLVKDONJSA-N 1 0 199.363 2.756 10 0 AFAERO C[C@@H]1CC(C2(C[NH3+])CC2)C[C@@H](C)C1 306738233 345585354 /nfs/dbraw/zinc/58/53/54/345585354.db2.gz BQJSJHPYQQRFKA-UWVGGRQHSA-N 1 0 181.323 2.798 10 0 AFAERO C[C@@H]1C[NH2+]C[C@]1(C)CC(C)(C)C 306836903 345647543 /nfs/dbraw/zinc/64/75/43/345647543.db2.gz URICSBJKYQILSA-KOLCDFICSA-N 1 0 169.312 2.668 10 0 AFAERO C/C=C/CNc1ccncc1Cl 306744533 345587913 /nfs/dbraw/zinc/58/79/13/345587913.db2.gz YBDVCZRQWCYORI-NSCUHMNNSA-N 1 0 182.654 2.723 10 0 AFAERO CC(C)(F)[C@@H]([NH3+])C1=CCCCCC1 306747211 345589094 /nfs/dbraw/zinc/58/90/94/345589094.db2.gz FKFRHJYEPDNFKB-JTQLQIEISA-N 1 0 185.286 2.952 10 0 AFAERO CC(C)(F)[C@H]([NH3+])C1=CCCCCC1 306747212 345589148 /nfs/dbraw/zinc/58/91/48/345589148.db2.gz FKFRHJYEPDNFKB-SNVBAGLBSA-N 1 0 185.286 2.952 10 0 AFAERO C[C@@H]1CCC[C@H](CC2(F)C[NH2+]C2)C1 306748565 345590091 /nfs/dbraw/zinc/59/00/91/345590091.db2.gz FJKFGBFSPUGZEU-ZJUUUORDSA-N 1 0 185.286 2.514 10 0 AFAERO C[C@@H]1CCC[C@@H](CC2(F)C[NH2+]C2)C1 306748553 345590329 /nfs/dbraw/zinc/59/03/29/345590329.db2.gz FJKFGBFSPUGZEU-NXEZZACHSA-N 1 0 185.286 2.514 10 0 AFAERO C[C@H]1CCC[C@H](CC2(F)C[NH2+]C2)C1 306748557 345590458 /nfs/dbraw/zinc/59/04/58/345590458.db2.gz FJKFGBFSPUGZEU-UWVGGRQHSA-N 1 0 185.286 2.514 10 0 AFAERO C[C@H]1CC[C@@H]([N@@H+]2CCCSCC2)C1 306750008 345590687 /nfs/dbraw/zinc/59/06/87/345590687.db2.gz GGALJIHKMRWDLA-WDEREUQCSA-N 1 0 199.363 2.614 10 0 AFAERO CC1(C)C[NH2+][C@H]1CC1CCCC1 306750151 345590698 /nfs/dbraw/zinc/59/06/98/345590698.db2.gz MCBMZDZNLYVKII-JTQLQIEISA-N 1 0 167.296 2.565 10 0 AFAERO CC1(C)C[NH2+][C@@H]1CC1CCCC1 306750153 345590755 /nfs/dbraw/zinc/59/07/55/345590755.db2.gz MCBMZDZNLYVKII-SNVBAGLBSA-N 1 0 167.296 2.565 10 0 AFAERO C[C@@H]1[NH2+]CCC[C@@H]1CC1CCCC1 306749612 345590767 /nfs/dbraw/zinc/59/07/67/345590767.db2.gz LWMQLQNTJJUGSF-CMPLNLGQSA-N 1 0 181.323 2.955 10 0 AFAERO C[C@@H]1[NH2+]CCC[C@H]1CC1CCCC1 306749613 345590786 /nfs/dbraw/zinc/59/07/86/345590786.db2.gz LWMQLQNTJJUGSF-JQWIXIFHSA-N 1 0 181.323 2.955 10 0 AFAERO C[C@H]1CC[C@H]([N@@H+]2CCCSCC2)C1 306750006 345590855 /nfs/dbraw/zinc/59/08/55/345590855.db2.gz GGALJIHKMRWDLA-QWRGUYRKSA-N 1 0 199.363 2.614 10 0 AFAERO C[C@H]1[NH2+]CCC[C@H]1CC1CCCC1 306749614 345590862 /nfs/dbraw/zinc/59/08/62/345590862.db2.gz LWMQLQNTJJUGSF-PWSUYJOCSA-N 1 0 181.323 2.955 10 0 AFAERO C[C@H]1[NH2+]CCC[C@@H]1CC1CCCC1 306749615 345590961 /nfs/dbraw/zinc/59/09/61/345590961.db2.gz LWMQLQNTJJUGSF-ZYHUDNBSSA-N 1 0 181.323 2.955 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306797355 345621652 /nfs/dbraw/zinc/62/16/52/345621652.db2.gz KLVPKYOIMPINBO-BBBLOLIVSA-N 1 0 187.352 2.515 10 0 AFAERO C[C@H]1CC(C2CCCC2)=C[C@H]([NH3+])C1 306797275 345621804 /nfs/dbraw/zinc/62/18/04/345621804.db2.gz XUBIURZPOUTEMF-JOYOIKCWSA-N 1 0 179.307 2.860 10 0 AFAERO CC1(C)C[NH2+][C@@H]1C1CCCCCC1 306797553 345621854 /nfs/dbraw/zinc/62/18/54/345621854.db2.gz YQEYLCKTCUOTGV-LLVKDONJSA-N 1 0 181.323 2.955 10 0 AFAERO C1CCC([C@H]2[NH2+]C[C@H]2C2CC2)CC1 306798557 345622088 /nfs/dbraw/zinc/62/20/88/345622088.db2.gz CSAQMDFCAPZYEU-NWDGAFQWSA-N 1 0 179.307 2.565 10 0 AFAERO C1CCC([C@@H]2[NH2+]C[C@H]2C2CC2)CC1 306798559 345622149 /nfs/dbraw/zinc/62/21/49/345622149.db2.gz CSAQMDFCAPZYEU-RYUDHWBXSA-N 1 0 179.307 2.565 10 0 AFAERO C1CCC([C@@H]2[NH2+]C[C@@H]2C2CC2)CC1 306798555 345622232 /nfs/dbraw/zinc/62/22/32/345622232.db2.gz CSAQMDFCAPZYEU-NEPJUHHUSA-N 1 0 179.307 2.565 10 0 AFAERO C1CCC([C@H]2[NH2+]C[C@@H]2C2CC2)CC1 306798561 345622291 /nfs/dbraw/zinc/62/22/91/345622291.db2.gz 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[NH3+][C@@H]1CCCC[C@H](c2ccns2)C1 306801563 345623822 /nfs/dbraw/zinc/62/38/22/345623822.db2.gz RFYQLLLTODHWQS-DTWKUNHWSA-N 1 0 196.319 2.518 10 0 AFAERO [NH3+][C@H]1CCCC[C@@H](c2ccns2)C1 306801562 345623870 /nfs/dbraw/zinc/62/38/70/345623870.db2.gz RFYQLLLTODHWQS-BDAKNGLRSA-N 1 0 196.319 2.518 10 0 AFAERO [NH3+][C@@H]1CCCC[C@@H](c2ccns2)C1 306801565 345624143 /nfs/dbraw/zinc/62/41/43/345624143.db2.gz RFYQLLLTODHWQS-RKDXNWHRSA-N 1 0 196.319 2.518 10 0 AFAERO C[C@@H]1CC/C(=C/c2ccsc2)C[NH2+]1 306802635 345624340 /nfs/dbraw/zinc/62/43/40/345624340.db2.gz UGNPICQENHFZJY-WPVMNKCKSA-N 1 0 193.315 2.903 10 0 AFAERO C[C@H]1CC/C(=C/c2ccsc2)C[NH2+]1 306802634 345624490 /nfs/dbraw/zinc/62/44/90/345624490.db2.gz UGNPICQENHFZJY-LKJZUNMESA-N 1 0 193.315 2.903 10 0 AFAERO C[C@H]1CCC[C@@H]1C(=[NH2+])NC(C)(C)C 306804080 345624971 /nfs/dbraw/zinc/62/49/71/345624971.db2.gz WWNOTLXQIJZDOI-IUCAKERBSA-N 1 0 182.311 2.788 10 0 AFAERO Cc1cocc1[C@@H]([NH3+])c1ccsc1 306803763 345625085 /nfs/dbraw/zinc/62/50/85/345625085.db2.gz WGJBJGKLTGNGPR-JTQLQIEISA-N 1 0 193.271 2.698 10 0 AFAERO Cc1cocc1[C@H]([NH3+])c1ccsc1 306803764 345625051 /nfs/dbraw/zinc/62/50/51/345625051.db2.gz WGJBJGKLTGNGPR-SNVBAGLBSA-N 1 0 193.271 2.698 10 0 AFAERO C[C@@H]1CCC[C@H]1C(=[NH2+])NC(C)(C)C 306804081 345625059 /nfs/dbraw/zinc/62/50/59/345625059.db2.gz WWNOTLXQIJZDOI-RKDXNWHRSA-N 1 0 182.311 2.788 10 0 AFAERO C[C@@H]1CCC[C@@H]1C(=[NH2+])NC(C)(C)C 306804078 345625135 /nfs/dbraw/zinc/62/51/35/345625135.db2.gz WWNOTLXQIJZDOI-BDAKNGLRSA-N 1 0 182.311 2.788 10 0 AFAERO C[C@H]1CCC[C@H]1C(=[NH2+])NC(C)(C)C 306804079 345625139 /nfs/dbraw/zinc/62/51/39/345625139.db2.gz WWNOTLXQIJZDOI-DTWKUNHWSA-N 1 0 182.311 2.788 10 0 AFAERO C[C@@H]1C[NH2+][C@H](C)[C@@H]1CC1CCCC1 306804829 345625433 /nfs/dbraw/zinc/62/54/33/345625433.db2.gz YULVGTDZAGRZSJ-CKYFFXLPSA-N 1 0 181.323 2.811 10 0 AFAERO C[C@@H]1C[NH2+][C@@H](C)[C@@H]1CC1CCCC1 306804831 345625486 /nfs/dbraw/zinc/62/54/86/345625486.db2.gz YULVGTDZAGRZSJ-JFGNBEQYSA-N 1 0 181.323 2.811 10 0 AFAERO C[C@H]1C[C@@H](C)N1Cc1ccc(Cl)o1 306804227 345625602 /nfs/dbraw/zinc/62/56/02/345625602.db2.gz XLRIEXNXJHMPNX-OCAPTIKFSA-N 1 0 199.681 2.916 10 0 AFAERO C[C@H]1C[C@H](C)N1Cc1ccc(Cl)o1 306804228 345625666 /nfs/dbraw/zinc/62/56/66/345625666.db2.gz XLRIEXNXJHMPNX-YUMQZZPRSA-N 1 0 199.681 2.916 10 0 AFAERO C[C@@H]1C[NH2+][C@H](C)[C@H]1CC1CCCC1 306804830 345625682 /nfs/dbraw/zinc/62/56/82/345625682.db2.gz YULVGTDZAGRZSJ-FOGDFJRCSA-N 1 0 181.323 2.811 10 0 AFAERO C[C@@H]1C[NH2+][C@@H](C)[C@H]1CC1CCCC1 306804832 345625748 /nfs/dbraw/zinc/62/57/48/345625748.db2.gz YULVGTDZAGRZSJ-SCVCMEIPSA-N 1 0 181.323 2.811 10 0 AFAERO CC(C)/C=C1/CC[C@H]2C[NH2+]C[C@@H]2C1 306805840 345626124 /nfs/dbraw/zinc/62/61/24/345626124.db2.gz AVBFBCLGSQXFTA-OUONCDGISA-N 1 0 179.307 2.588 10 0 AFAERO CC(C)/C=C1/CC[C@@H]2C[NH2+]C[C@@H]2C1 306805841 345626184 /nfs/dbraw/zinc/62/61/84/345626184.db2.gz AVBFBCLGSQXFTA-XAPDAFRNSA-N 1 0 179.307 2.588 10 0 AFAERO CC(C)/C=C1/CC[C@H]2C[NH2+]C[C@H]2C1 306805839 345626318 /nfs/dbraw/zinc/62/63/18/345626318.db2.gz AVBFBCLGSQXFTA-JUYDSFNJSA-N 1 0 179.307 2.588 10 0 AFAERO CC(C)/C=C1/CC[C@@H]2C[NH2+]C[C@H]2C1 306805842 345626323 /nfs/dbraw/zinc/62/63/23/345626323.db2.gz AVBFBCLGSQXFTA-XRHVUQDBSA-N 1 0 179.307 2.588 10 0 AFAERO CC(C)(C)[C@H]1C[NH2+][C@H]1c1ccccc1 306806608 345626660 /nfs/dbraw/zinc/62/66/60/345626660.db2.gz KIDRAOOFNBVHDL-RYUDHWBXSA-N 1 0 189.302 2.993 10 0 AFAERO CSC1([C@H]2[NH2+]C[C@H]2C(C)C)CCC1 306806728 345626662 /nfs/dbraw/zinc/62/66/62/345626662.db2.gz KRLGBLCKJMFIBD-UWVGGRQHSA-N 1 0 199.363 2.516 10 0 AFAERO CC(C)(C)[C@@H]1C[NH2+][C@@H]1c1ccccc1 306806609 345626736 /nfs/dbraw/zinc/62/67/36/345626736.db2.gz KIDRAOOFNBVHDL-VXGBXAGGSA-N 1 0 189.302 2.993 10 0 AFAERO CC(C)(C)[C@@H]1C[NH2+][C@H]1c1ccccc1 306806606 345626752 /nfs/dbraw/zinc/62/67/52/345626752.db2.gz KIDRAOOFNBVHDL-NEPJUHHUSA-N 1 0 189.302 2.993 10 0 AFAERO CC(C)(C)[C@@H]1C[NH2+][C@H]1c1ccoc1 306806605 345626756 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WVOZULHXGQUPAT-SECBINFHSA-N 1 0 181.304 2.720 10 0 AFAERO [NH3+]Cc1csc(-c2ccsc2)c1 306915666 345697162 /nfs/dbraw/zinc/69/71/62/345697162.db2.gz WFKJFCDMUHBGBQ-UHFFFAOYSA-N 1 0 195.312 2.935 10 0 AFAERO Cc1cc(F)cc(C2=CCC[NH2+]C2)c1 306917391 345697362 /nfs/dbraw/zinc/69/73/62/345697362.db2.gz ZCNJKEKCMYCESZ-UHFFFAOYSA-N 1 0 191.249 2.511 10 0 AFAERO [NH3+][C@H]1CCC/C(=C/C2=CCCC2)C1 306918531 345697907 /nfs/dbraw/zinc/69/79/07/345697907.db2.gz AKXWCKNNYTYKNM-KGTBHZDVSA-N 1 0 177.291 2.924 10 0 AFAERO [NH3+][C@@H]1CCC/C(=C/C2=CCCC2)C1 306918536 345697972 /nfs/dbraw/zinc/69/79/72/345697972.db2.gz AKXWCKNNYTYKNM-NXIHDVOMSA-N 1 0 177.291 2.924 10 0 AFAERO CC[C@@H]1CSC[C@H]([C@H]2CC2(C)C)[NH2+]1 306918999 345698538 /nfs/dbraw/zinc/69/85/38/345698538.db2.gz JLVCRXZUTHYNDT-OPRDCNLKSA-N 1 0 199.363 2.516 10 0 AFAERO CC[C@@H]1CSC[C@@H]([C@@H]2CC2(C)C)[NH2+]1 306919000 345698582 /nfs/dbraw/zinc/69/85/82/345698582.db2.gz JLVCRXZUTHYNDT-UTLUCORTSA-N 1 0 199.363 2.516 10 0 AFAERO CC[C@@H]1CSC[C@@H]([C@H]2CC2(C)C)[NH2+]1 306918997 345698675 /nfs/dbraw/zinc/69/86/75/345698675.db2.gz JLVCRXZUTHYNDT-BBBLOLIVSA-N 1 0 199.363 2.516 10 0 AFAERO CC1(C)CCC[C@H]1[NH+]1CCSCC1 306919877 345698817 /nfs/dbraw/zinc/69/88/17/345698817.db2.gz FFXLMWUMJYQFAD-SNVBAGLBSA-N 1 0 199.363 2.614 10 0 AFAERO CC1(C)CCC[C@@H]1[NH+]1CCSCC1 306919876 345698975 /nfs/dbraw/zinc/69/89/75/345698975.db2.gz FFXLMWUMJYQFAD-JTQLQIEISA-N 1 0 199.363 2.614 10 0 AFAERO C[C@H]([NH3+])[C@H](C)CC1(C)CCC1 306922328 345699589 /nfs/dbraw/zinc/69/95/89/345699589.db2.gz VEIIAMZOMVXORI-BDAKNGLRSA-N 1 0 155.285 2.550 10 0 AFAERO C[C@@H](CC1(C)CCC1)[C@@H](C)[NH3+] 306922329 345699779 /nfs/dbraw/zinc/69/97/79/345699779.db2.gz VEIIAMZOMVXORI-DTWKUNHWSA-N 1 0 155.285 2.550 10 0 AFAERO C[C@H]([NH3+])[C@@H](C)CC1(C)CCC1 306922330 345700119 /nfs/dbraw/zinc/70/01/19/345700119.db2.gz VEIIAMZOMVXORI-IUCAKERBSA-N 1 0 155.285 2.550 10 0 AFAERO C[C@@H]([NH3+])[C@H](C)CC1(C)CCC1 306922331 345700127 /nfs/dbraw/zinc/70/01/27/345700127.db2.gz VEIIAMZOMVXORI-RKDXNWHRSA-N 1 0 155.285 2.550 10 0 AFAERO C[C@@H](c1ccccc1F)[NH+]1CCC1 306924195 345700690 /nfs/dbraw/zinc/70/06/90/345700690.db2.gz IOFDXCNPGVKUGM-VIFPVBQESA-N 1 0 179.238 2.592 10 0 AFAERO Cc1cc(C[NH+]2CC(C)C2)c(C)s1 306924298 345700620 /nfs/dbraw/zinc/70/06/20/345700620.db2.gz IUOZEEFZKCLVMW-UHFFFAOYSA-N 1 0 195.331 2.817 10 0 AFAERO C[C@H](c1ccccc1F)[NH+]1CCC1 306924194 345700643 /nfs/dbraw/zinc/70/06/43/345700643.db2.gz IOFDXCNPGVKUGM-SECBINFHSA-N 1 0 179.238 2.592 10 0 AFAERO CC1CC([N@@H+]2CCCC[C@@H](F)C2)C1 306924103 345700684 /nfs/dbraw/zinc/70/06/84/345700684.db2.gz IFFQYMYKBPDYSA-HSOILSAZSA-N 1 0 185.286 2.609 10 0 AFAERO CC1CC([N@@H+]2CCCC[C@H](F)C2)C1 306924104 345700698 /nfs/dbraw/zinc/70/06/98/345700698.db2.gz IFFQYMYKBPDYSA-YVNMAJEFSA-N 1 0 185.286 2.609 10 0 AFAERO CC1CC([N@@H+]2CCC[C@@H](C)CC2)C1 306924115 345700712 /nfs/dbraw/zinc/70/07/12/345700712.db2.gz IGROTLITCGXQIG-VOMCLLRMSA-N 1 0 181.323 2.907 10 0 AFAERO CC1CC([N@@H+]2CCC[C@H](C)CC2)C1 306924114 345700715 /nfs/dbraw/zinc/70/07/15/345700715.db2.gz IGROTLITCGXQIG-UNXYVOJBSA-N 1 0 181.323 2.907 10 0 AFAERO CC1CC[NH+]([C@H]2CC[C@H](C)C2)CC1 306925615 345701687 /nfs/dbraw/zinc/70/16/87/345701687.db2.gz MWEFWXFSPDHVNR-RYUDHWBXSA-N 1 0 181.323 2.907 10 0 AFAERO CC1(C)CC[N@@H+](C2CCC2)CCS1 306925791 345701821 /nfs/dbraw/zinc/70/18/21/345701821.db2.gz NMSRYQDOEQNOHF-UHFFFAOYSA-N 1 0 199.363 2.756 10 0 AFAERO CC1CC[NH+]([C@@H]2CC[C@@H](C)C2)CC1 306925616 345701897 /nfs/dbraw/zinc/70/18/97/345701897.db2.gz MWEFWXFSPDHVNR-VXGBXAGGSA-N 1 0 181.323 2.907 10 0 AFAERO CC1CC[NH+]([C@@H]2CC[C@H](C)C2)CC1 306925614 345701921 /nfs/dbraw/zinc/70/19/21/345701921.db2.gz MWEFWXFSPDHVNR-NWDGAFQWSA-N 1 0 181.323 2.907 10 0 AFAERO CC1CC[NH+]([C@H]2CC[C@@H](C)C2)CC1 306925613 345701959 /nfs/dbraw/zinc/70/19/59/345701959.db2.gz MWEFWXFSPDHVNR-NEPJUHHUSA-N 1 0 181.323 2.907 10 0 AFAERO C[C@H]1C[C@@H](C)CC[N@@H+](C2CCC2)C1 306927903 345703233 /nfs/dbraw/zinc/70/32/33/345703233.db2.gz VZVOAAGDSBQYSH-QWRGUYRKSA-N 1 0 181.323 2.907 10 0 AFAERO C[C@H]1c2ccccc2CN1CCF 306928035 345703240 /nfs/dbraw/zinc/70/32/40/345703240.db2.gz WMMCRTPRKQORJJ-VIFPVBQESA-N 1 0 179.238 2.533 10 0 AFAERO C[C@H]1CC[N@@H+](C2CCC2)C[C@H](C)C1 306927904 345703299 /nfs/dbraw/zinc/70/32/99/345703299.db2.gz VZVOAAGDSBQYSH-WDEREUQCSA-N 1 0 181.323 2.907 10 0 AFAERO C[C@@H]1CC[N@@H+](C2CCC2)C[C@H](C)C1 306927901 345703308 /nfs/dbraw/zinc/70/33/08/345703308.db2.gz VZVOAAGDSBQYSH-GHMZBOCLSA-N 1 0 181.323 2.907 10 0 AFAERO Cc1cc(NC(C)C)c(F)cc1N 306928083 345703323 /nfs/dbraw/zinc/70/33/23/345703323.db2.gz WSUGFDIEWUVJTR-UHFFFAOYSA-N 1 0 182.242 2.537 10 0 AFAERO C[C@]1([C@@H]([NH3+])C2CCCCC2)C[C@H]1F 306928931 345703922 /nfs/dbraw/zinc/70/39/22/345703922.db2.gz BIQOVYXVCGQBQE-VWYCJHECSA-N 1 0 185.286 2.642 10 0 AFAERO CC1(C[NH2+][C@@H]2CC[C@@H](F)C2)CCC1 306930625 345704439 /nfs/dbraw/zinc/70/44/39/345704439.db2.gz BMDSIEPSOOYEBD-NXEZZACHSA-N 1 0 185.286 2.657 10 0 AFAERO CC1(C[NH2+][C@@H]2CC[C@H](F)C2)CCC1 306930629 345704683 /nfs/dbraw/zinc/70/46/83/345704683.db2.gz BMDSIEPSOOYEBD-VHSXEESVSA-N 1 0 185.286 2.657 10 0 AFAERO CC1(C[NH2+][C@H]2CC[C@@H](F)C2)CCC1 306930631 345704781 /nfs/dbraw/zinc/70/47/81/345704781.db2.gz BMDSIEPSOOYEBD-ZJUUUORDSA-N 1 0 185.286 2.657 10 0 AFAERO CC1(C[NH2+][C@H]2CC[C@H](F)C2)CCC1 306930627 345704888 /nfs/dbraw/zinc/70/48/88/345704888.db2.gz BMDSIEPSOOYEBD-UWVGGRQHSA-N 1 0 185.286 2.657 10 0 AFAERO CC1(C)CC([NH2+][C@@H]2C=CCCC2)C1 306931330 345705306 /nfs/dbraw/zinc/70/53/06/345705306.db2.gz BXHQKXZMPXUBHZ-SNVBAGLBSA-N 1 0 179.307 2.873 10 0 AFAERO CC1(C)CC([NH2+][C@H]2C=CCCC2)C1 306931328 345705406 /nfs/dbraw/zinc/70/54/06/345705406.db2.gz BXHQKXZMPXUBHZ-JTQLQIEISA-N 1 0 179.307 2.873 10 0 AFAERO C[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 306932992 345705814 /nfs/dbraw/zinc/70/58/14/345705814.db2.gz CPBDQZJQENTUQW-OUAUKWLOSA-N 1 0 167.296 2.565 10 0 AFAERO C[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 306932989 345706026 /nfs/dbraw/zinc/70/60/26/345706026.db2.gz CPBDQZJQENTUQW-GMTAPVOTSA-N 1 0 167.296 2.565 10 0 AFAERO C[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 306932993 345706053 /nfs/dbraw/zinc/70/60/53/345706053.db2.gz CPBDQZJQENTUQW-VWYCJHECSA-N 1 0 167.296 2.565 10 0 AFAERO C[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 306932991 345706071 /nfs/dbraw/zinc/70/60/71/345706071.db2.gz CPBDQZJQENTUQW-MXWKQRLJSA-N 1 0 167.296 2.565 10 0 AFAERO Cl/C=C/C[N@@H+]1CCC[C@@H](C2CC2)C1 306936206 345707262 /nfs/dbraw/zinc/70/72/62/345707262.db2.gz DYVRBRDZHBLPNA-SZHMKSFOSA-N 1 0 199.725 2.861 10 0 AFAERO Cl/C=C/C[N@@H+]1CCC[C@H](C2CC2)C1 306936205 345707398 /nfs/dbraw/zinc/70/73/98/345707398.db2.gz DYVRBRDZHBLPNA-GSQGTZRGSA-N 1 0 199.725 2.861 10 0 AFAERO C/C=C/C[NH2+][C@H]1CCCc2occc21 306937729 345707937 /nfs/dbraw/zinc/70/79/37/345707937.db2.gz JBIOBVBGBSKDAY-VUDBWIFFSA-N 1 0 191.274 2.823 10 0 AFAERO C/C=C/C[NH2+][C@@H]1CCCc2occc21 306937728 345707964 /nfs/dbraw/zinc/70/79/64/345707964.db2.gz JBIOBVBGBSKDAY-KXMPLOMGSA-N 1 0 191.274 2.823 10 0 AFAERO Cc1cc([C@]2([NH3+])[C@H]3CCC[C@H]32)cs1 306937011 345707988 /nfs/dbraw/zinc/70/79/88/345707988.db2.gz FOBVPYVLSLXCMG-JGPRNRPPSA-N 1 0 193.315 2.640 10 0 AFAERO C[C@H]1C[NH2+]C[C@@H]1C1CCCCCC1 306940219 345709021 /nfs/dbraw/zinc/70/90/21/345709021.db2.gz HENXOULFTBHMEW-JQWIXIFHSA-N 1 0 181.323 2.812 10 0 AFAERO C[C@@H]1C[NH2+]C[C@@H]1C1CCCCCC1 306940220 345708750 /nfs/dbraw/zinc/70/87/50/345708750.db2.gz HENXOULFTBHMEW-PWSUYJOCSA-N 1 0 181.323 2.812 10 0 AFAERO C[C@H]1[NH2+]CCC[C@]1(F)C1CCCC1 306939730 345708786 /nfs/dbraw/zinc/70/87/86/345708786.db2.gz BETMKMGCPCWTBC-MWLCHTKSSA-N 1 0 185.286 2.657 10 0 AFAERO C[C@H]1[NH2+]CCC[C@@]1(F)C1CCCC1 306939729 345708793 /nfs/dbraw/zinc/70/87/93/345708793.db2.gz BETMKMGCPCWTBC-KOLCDFICSA-N 1 0 185.286 2.657 10 0 AFAERO C[C@@H]1[NH2+]CCC[C@@]1(F)C1CCCC1 306939731 345708831 /nfs/dbraw/zinc/70/88/31/345708831.db2.gz BETMKMGCPCWTBC-ONGXEEELSA-N 1 0 185.286 2.657 10 0 AFAERO C[C@@H]1C[NH2+]C[C@H]1C1CCCCCC1 306940221 345708843 /nfs/dbraw/zinc/70/88/43/345708843.db2.gz HENXOULFTBHMEW-ZYHUDNBSSA-N 1 0 181.323 2.812 10 0 AFAERO C[C@H]1C[NH2+]C[C@H]1C1CCCCCC1 306940218 345708925 /nfs/dbraw/zinc/70/89/25/345708925.db2.gz HENXOULFTBHMEW-CMPLNLGQSA-N 1 0 181.323 2.812 10 0 AFAERO C[C@@H]1[NH2+]CCC[C@]1(F)C1CCCC1 306939728 345708956 /nfs/dbraw/zinc/70/89/56/345708956.db2.gz BETMKMGCPCWTBC-GXSJLCMTSA-N 1 0 185.286 2.657 10 0 AFAERO Cc1sccc1[C@@H]1[NH2+]C[C@@H](C)S1 306945332 345711367 /nfs/dbraw/zinc/71/13/67/345711367.db2.gz KXRYGWBGZOEPQG-HZGVNTEJSA-N 1 0 199.344 2.780 10 0 AFAERO Cc1sccc1[C@@H]1[NH2+]C[C@H](C)S1 306945334 345711128 /nfs/dbraw/zinc/71/11/28/345711128.db2.gz KXRYGWBGZOEPQG-IMTBSYHQSA-N 1 0 199.344 2.780 10 0 AFAERO Cc1cc([C@H]2C[NH2+][C@@H](C)C2)cs1 306944331 345711137 /nfs/dbraw/zinc/71/11/37/345711137.db2.gz JOESTJGRZPOTFQ-IONNQARKSA-N 1 0 181.304 2.522 10 0 AFAERO Cc1sccc1[C@H]1[NH2+]C[C@H](C)S1 306945337 345711350 /nfs/dbraw/zinc/71/13/50/345711350.db2.gz KXRYGWBGZOEPQG-RCOVLWMOSA-N 1 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CC[C@]1([C@@H]2C[C@H]2C)[NH2+][C@@H](C)CCS1 307110440 345815549 /nfs/dbraw/zinc/81/55/49/345815549.db2.gz LQOQJFJSBOTNHS-YTWAJWBKSA-N 1 0 199.363 2.864 10 0 AFAERO CC[C@]1(C)C[NH2+][C@@H]1C1CCCCC1 307110138 345815556 /nfs/dbraw/zinc/81/55/56/345815556.db2.gz BQGXCCRZKSTYSK-VXGBXAGGSA-N 1 0 181.323 2.955 10 0 AFAERO CC(F)(F)CCNc1cc[nH+]cc1 307110578 345815565 /nfs/dbraw/zinc/81/55/65/345815565.db2.gz KXISMLBMBJCAOO-UHFFFAOYSA-N 1 0 186.205 2.539 10 0 AFAERO CC[C@]1([C@@H]2C[C@@H]2C)[NH2+][C@H](C)CCS1 307110442 345815691 /nfs/dbraw/zinc/81/56/91/345815691.db2.gz LQOQJFJSBOTNHS-ZDCRXTMVSA-N 1 0 199.363 2.864 10 0 AFAERO C/C(=C\CC(C)(C)C)[C@H](C)[NH3+] 307110669 345815827 /nfs/dbraw/zinc/81/58/27/345815827.db2.gz BUJRQCKIRJRISR-ORZBULNSSA-N 1 0 155.285 2.716 10 0 AFAERO CC[C@@]1(C)C[NH2+][C@@H]1C1CCCCC1 307110135 345815735 /nfs/dbraw/zinc/81/57/35/345815735.db2.gz BQGXCCRZKSTYSK-NEPJUHHUSA-N 1 0 181.323 2.955 10 0 AFAERO CC[C@@H]1C[C@H]1[C@H]1CCCCC[NH2+]1 307111239 345815772 /nfs/dbraw/zinc/81/57/72/345815772.db2.gz NERBJIRRQAFFKZ-GMTAPVOTSA-N 1 0 167.296 2.565 10 0 AFAERO CC[C@@]1(C)C[NH2+][C@H]1C1CCCCC1 307110137 345815776 /nfs/dbraw/zinc/81/57/76/345815776.db2.gz BQGXCCRZKSTYSK-RYUDHWBXSA-N 1 0 181.323 2.955 10 0 AFAERO CC[C@]1([C@@H]2C[C@@H]2C)[NH2+][C@@H](C)CCS1 307110438 345815780 /nfs/dbraw/zinc/81/57/80/345815780.db2.gz LQOQJFJSBOTNHS-MMWGEVLESA-N 1 0 199.363 2.864 10 0 AFAERO C/C(=C\CC(C)(C)C)[C@@H](C)[NH3+] 307110667 345815817 /nfs/dbraw/zinc/81/58/17/345815817.db2.gz BUJRQCKIRJRISR-BNICOGTQSA-N 1 0 155.285 2.716 10 0 AFAERO CC[C@]1(C)C[NH2+][C@H]1C1CCCCC1 307110136 345815825 /nfs/dbraw/zinc/81/58/25/345815825.db2.gz BQGXCCRZKSTYSK-NWDGAFQWSA-N 1 0 181.323 2.955 10 0 AFAERO C[C@@H]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 307112022 345816179 /nfs/dbraw/zinc/81/61/79/345816179.db2.gz LVJHORJYDPDSTH-MXWKQRLJSA-N 1 0 167.296 2.565 10 0 AFAERO C[C@H]1[NH2+]CC[C@@H]1CC1CCCC1 307112455 345816181 /nfs/dbraw/zinc/81/61/81/345816181.db2.gz PVZASIUHZSCJQU-MWLCHTKSSA-N 1 0 167.296 2.565 10 0 AFAERO C[C@@H]1[NH2+]CC[C@H]1CC1CCCC1 307112456 345816209 /nfs/dbraw/zinc/81/62/09/345816209.db2.gz PVZASIUHZSCJQU-ONGXEEELSA-N 1 0 167.296 2.565 10 0 AFAERO C[C@H]1CC[C@H]([NH2+]C(C)(C)CF)C1 307111841 345816221 /nfs/dbraw/zinc/81/62/21/345816221.db2.gz LQODHGBDCBIAPM-IUCAKERBSA-N 1 0 173.275 2.513 10 0 AFAERO C[C@@H]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 307112023 345816272 /nfs/dbraw/zinc/81/62/72/345816272.db2.gz LVJHORJYDPDSTH-OUAUKWLOSA-N 1 0 167.296 2.565 10 0 AFAERO C[C@@H]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 307112025 345816288 /nfs/dbraw/zinc/81/62/88/345816288.db2.gz LVJHORJYDPDSTH-VWYCJHECSA-N 1 0 167.296 2.565 10 0 AFAERO C[C@@H]1[NH2+]CC[C@@H]1CC1CCCC1 307112452 345816382 /nfs/dbraw/zinc/81/63/82/345816382.db2.gz PVZASIUHZSCJQU-GXSJLCMTSA-N 1 0 167.296 2.565 10 0 AFAERO CC(C)(C)[C@](C)(F)[C@@H]1CCC[NH2+]1 307113354 345816788 /nfs/dbraw/zinc/81/67/88/345816788.db2.gz ALRNDORDSUXNIT-WCBMZHEXSA-N 1 0 173.275 2.513 10 0 AFAERO CC(C)(C)[C@](C)(F)[C@H]1CCC[NH2+]1 307113349 345816814 /nfs/dbraw/zinc/81/68/14/345816814.db2.gz ALRNDORDSUXNIT-PSASIEDQSA-N 1 0 173.275 2.513 10 0 AFAERO C[NH2+][C@H](C)C(C)(C)C(C)(C)C 307112926 345816823 /nfs/dbraw/zinc/81/68/23/345816823.db2.gz AGJHZOPCNGHDGC-MRVPVSSYSA-N 1 0 157.301 2.667 10 0 AFAERO CC(C)(C)[C@@](C)(F)[C@H]1CCC[NH2+]1 307113352 345816991 /nfs/dbraw/zinc/81/69/91/345816991.db2.gz ALRNDORDSUXNIT-SCZZXKLOSA-N 1 0 173.275 2.513 10 0 AFAERO C[NH2+][C@@H](C)C(C)(C)C(C)(C)C 307112927 345816999 /nfs/dbraw/zinc/81/69/99/345816999.db2.gz AGJHZOPCNGHDGC-QMMMGPOBSA-N 1 0 157.301 2.667 10 0 AFAERO CC(C)(C)[C@@](C)(F)[C@@H]1CCC[NH2+]1 307113356 345817080 /nfs/dbraw/zinc/81/70/80/345817080.db2.gz ALRNDORDSUXNIT-WPRPVWTQSA-N 1 0 173.275 2.513 10 0 AFAERO C/C(=C/C(C)C)[C@H]1CCCC[NH2+]1 307114577 345817863 /nfs/dbraw/zinc/81/78/63/345817863.db2.gz NJYMLKXNMDNZSH-HIJJYWJESA-N 1 0 167.296 2.731 10 0 AFAERO CCC[C@@H]1[NH2+]CC12CCCCC2 307115054 345818071 /nfs/dbraw/zinc/81/80/71/345818071.db2.gz CXKWZWWDDXURKR-JTQLQIEISA-N 1 0 167.296 2.709 10 0 AFAERO C/C(=C/C(C)C)[C@@H]1CCCC[NH2+]1 307114580 345818102 /nfs/dbraw/zinc/81/81/02/345818102.db2.gz NJYMLKXNMDNZSH-IEHMKBBKSA-N 1 0 167.296 2.731 10 0 AFAERO CCC[C@H]1[NH2+]CC12CCCCC2 307115055 345818114 /nfs/dbraw/zinc/81/81/14/345818114.db2.gz CXKWZWWDDXURKR-SNVBAGLBSA-N 1 0 167.296 2.709 10 0 AFAERO Cc1cocc1[C@H]1C[C@@H](C)CC[NH2+]1 307121002 345820740 /nfs/dbraw/zinc/82/07/40/345820740.db2.gz ILSZTPXCVMHIIY-GZMMTYOYSA-N 1 0 179.263 2.649 10 0 AFAERO Cc1cocc1[C@@H]1C[C@H](C)CC[NH2+]1 307121003 345820682 /nfs/dbraw/zinc/82/06/82/345820682.db2.gz ILSZTPXCVMHIIY-KCJUWKMLSA-N 1 0 179.263 2.649 10 0 AFAERO Cc1cocc1[C@H]1C[C@H](C)CC[NH2+]1 307121005 345820731 /nfs/dbraw/zinc/82/07/31/345820731.db2.gz ILSZTPXCVMHIIY-LDYMZIIASA-N 1 0 179.263 2.649 10 0 AFAERO C[NH2+][C@@H](C)c1c(F)cc(C)cc1F 307120156 345820887 /nfs/dbraw/zinc/82/08/87/345820887.db2.gz HBZDUTLJCPDVFH-ZETCQYMHSA-N 1 0 185.217 2.554 10 0 AFAERO C[NH2+][C@H](C)c1c(F)cc(C)cc1F 307120155 345820895 /nfs/dbraw/zinc/82/08/95/345820895.db2.gz HBZDUTLJCPDVFH-SSDOTTSWSA-N 1 0 185.217 2.554 10 0 AFAERO Cc1cocc1[C@@H]1C[C@@H](C)CC[NH2+]1 307121004 345820920 /nfs/dbraw/zinc/82/09/20/345820920.db2.gz ILSZTPXCVMHIIY-KWQFWETISA-N 1 0 179.263 2.649 10 0 AFAERO C1CC([NH2+][C@H]2CC3CCC2CC3)C1 307121431 345821602 /nfs/dbraw/zinc/82/16/02/345821602.db2.gz UKRFRUBMZDHIPK-CBINBANVSA-N 1 0 179.307 2.707 10 0 AFAERO C1CC([NH2+][C@@H]2CC3CCC2CC3)C1 307121432 345821716 /nfs/dbraw/zinc/82/17/16/345821716.db2.gz UKRFRUBMZDHIPK-RTYFJBAXSA-N 1 0 179.307 2.707 10 0 AFAERO Cc1ccc([C@H]([NH3+])[C@]2(C)C[C@H]2F)s1 307127160 345824639 /nfs/dbraw/zinc/82/46/39/345824639.db2.gz VOUXDLQHAGUWDN-KXUCPTDWSA-N 1 0 199.294 2.804 10 0 AFAERO Cc1cc(C[C@@H]([NH3+])C2CCC2)cs1 307126427 345824663 /nfs/dbraw/zinc/82/46/63/345824663.db2.gz LYXTXWOGYYEXLS-LLVKDONJSA-N 1 0 195.331 2.726 10 0 AFAERO Cc1ccc([C@H]([NH3+])[C@]2(C)C[C@@H]2F)s1 307127161 345824721 /nfs/dbraw/zinc/82/47/21/345824721.db2.gz VOUXDLQHAGUWDN-LPEHRKFASA-N 1 0 199.294 2.804 10 0 AFAERO Cc1ccc([C@H]([NH3+])[C@@]2(C)C[C@@H]2F)s1 307127158 345824835 /nfs/dbraw/zinc/82/48/35/345824835.db2.gz VOUXDLQHAGUWDN-GUBZILKMSA-N 1 0 199.294 2.804 10 0 AFAERO Cc1ccc([C@H]([NH3+])[C@@]2(C)C[C@H]2F)s1 307127162 345825011 /nfs/dbraw/zinc/82/50/11/345825011.db2.gz VOUXDLQHAGUWDN-UTLUCORTSA-N 1 0 199.294 2.804 10 0 AFAERO C[C@H]1CCC[C@@H](C2(C[NH3+])CC2)C1 307127428 345825337 /nfs/dbraw/zinc/82/53/37/345825337.db2.gz CIXHEVXMOLDBHE-VHSXEESVSA-N 1 0 167.296 2.552 10 0 AFAERO C[C@@H]1CCC[C@H](C2(C[NH3+])CC2)C1 307127430 345825345 /nfs/dbraw/zinc/82/53/45/345825345.db2.gz CIXHEVXMOLDBHE-ZJUUUORDSA-N 1 0 167.296 2.552 10 0 AFAERO C[C@@H]1CCC[C@@H](C2(C[NH3+])CC2)C1 307127425 345825428 /nfs/dbraw/zinc/82/54/28/345825428.db2.gz CIXHEVXMOLDBHE-NXEZZACHSA-N 1 0 167.296 2.552 10 0 AFAERO C[C@H]1CCC[C@H](C2(C[NH3+])CC2)C1 307127427 345825553 /nfs/dbraw/zinc/82/55/53/345825553.db2.gz CIXHEVXMOLDBHE-UWVGGRQHSA-N 1 0 167.296 2.552 10 0 AFAERO Cc1cc([C@@]2(C)CCC[NH2+]C2)cs1 307129483 345826946 /nfs/dbraw/zinc/82/69/46/345826946.db2.gz JWGDEYUCDGTTSB-NSHDSACASA-N 1 0 195.331 2.698 10 0 AFAERO Cc1cc([C@]2(C)CCC[NH2+]C2)cs1 307129482 345826960 /nfs/dbraw/zinc/82/69/60/345826960.db2.gz JWGDEYUCDGTTSB-LLVKDONJSA-N 1 0 195.331 2.698 10 0 AFAERO CC1(C)[NH2+]CC[C@H]1CC1CCCC1 307131414 345827739 /nfs/dbraw/zinc/82/77/39/345827739.db2.gz GGLGRGXSQLECIU-NSHDSACASA-N 1 0 181.323 2.955 10 0 AFAERO CC1(C)[NH2+]CC[C@@H]1CC1CCCC1 307131413 345827959 /nfs/dbraw/zinc/82/79/59/345827959.db2.gz GGLGRGXSQLECIU-LLVKDONJSA-N 1 0 181.323 2.955 10 0 AFAERO CC(C)(C)C(C)(C)NC1=[NH+]CCCC1 307131685 345828582 /nfs/dbraw/zinc/82/85/82/345828582.db2.gz HCCPVGAFMVIGBM-UHFFFAOYSA-N 1 0 196.338 2.983 10 0 AFAERO CC(C)([NH3+])C[C@H]1CCCC1(F)F 307131876 345828712 /nfs/dbraw/zinc/82/87/12/345828712.db2.gz LNODMCJDCUOYCA-SSDOTTSWSA-N 1 0 177.238 2.549 10 0 AFAERO CC(C)([NH3+])C[C@@H]1CCCC1(F)F 307131877 345828807 /nfs/dbraw/zinc/82/88/07/345828807.db2.gz LNODMCJDCUOYCA-ZETCQYMHSA-N 1 0 177.238 2.549 10 0 AFAERO C[C@@H]1CCC[C@@]1([NH3+])Cc1ccsc1 307134033 345829369 /nfs/dbraw/zinc/82/93/69/345829369.db2.gz NMNCKJSDGNRZRA-MWLCHTKSSA-N 1 0 195.331 2.808 10 0 AFAERO C[C@H]1CCC[C@@]1([NH3+])Cc1ccsc1 307134031 345829436 /nfs/dbraw/zinc/82/94/36/345829436.db2.gz NMNCKJSDGNRZRA-GXSJLCMTSA-N 1 0 195.331 2.808 10 0 AFAERO C[C@@H]1CCC[C@]1([NH3+])Cc1ccsc1 307134032 345829508 /nfs/dbraw/zinc/82/95/08/345829508.db2.gz NMNCKJSDGNRZRA-KOLCDFICSA-N 1 0 195.331 2.808 10 0 AFAERO C[C@H]1CCC[C@]1([NH3+])Cc1ccsc1 307134034 345829624 /nfs/dbraw/zinc/82/96/24/345829624.db2.gz NMNCKJSDGNRZRA-ONGXEEELSA-N 1 0 195.331 2.808 10 0 AFAERO C[C@@H]1CC[C@]12C[C@@H]2C[NH2+]C(C)(C)C 307135396 345830676 /nfs/dbraw/zinc/83/06/76/345830676.db2.gz QSVBNGDMGAQYMD-FOGDFJRCSA-N 1 0 181.323 2.811 10 0 AFAERO C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@@H]2C[C@H]12 307135885 345830685 /nfs/dbraw/zinc/83/06/85/345830685.db2.gz SCSCRISQGITWEG-GCHJQGSQSA-N 1 0 179.307 2.563 10 0 AFAERO CSC(C)(C)[C@@H]([NH3+])c1ccccc1 307135219 345830754 /nfs/dbraw/zinc/83/07/54/345830754.db2.gz QERMFDZDXJAWPD-JTQLQIEISA-N 1 0 195.331 2.828 10 0 AFAERO C[C@@H]1CC[C@]12C[C@H]2C[NH2+]C(C)(C)C 307135398 345830806 /nfs/dbraw/zinc/83/08/06/345830806.db2.gz QSVBNGDMGAQYMD-SCVCMEIPSA-N 1 0 181.323 2.811 10 0 AFAERO C[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[C@@H]2C[C@H]12 307135887 345830887 /nfs/dbraw/zinc/83/08/87/345830887.db2.gz SCSCRISQGITWEG-ZIQFBCGOSA-N 1 0 179.307 2.563 10 0 AFAERO C[C@@H]1CC[C@@]12C[C@H]2C[NH2+]C(C)(C)C 307135397 345830925 /nfs/dbraw/zinc/83/09/25/345830925.db2.gz QSVBNGDMGAQYMD-JFGNBEQYSA-N 1 0 181.323 2.811 10 0 AFAERO C[C@@H]1CC[C@@]12C[C@@H]2C[NH2+]C(C)(C)C 307135395 345831070 /nfs/dbraw/zinc/83/10/70/345831070.db2.gz QSVBNGDMGAQYMD-CKYFFXLPSA-N 1 0 181.323 2.811 10 0 AFAERO C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[C@@H]2C[C@@H]21 307135886 345831102 /nfs/dbraw/zinc/83/11/02/345831102.db2.gz SCSCRISQGITWEG-RMPHRYRLSA-N 1 0 179.307 2.563 10 0 AFAERO CSC(C)(C)[C@H]([NH3+])c1ccccc1 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10 0 AFAERO [NH3+]CC1(C/C=C/Cl)CCCC1 307249218 345921426 /nfs/dbraw/zinc/92/14/26/345921426.db2.gz JEDJKVJGHXABNQ-XVNBXDOJSA-N 1 0 173.687 2.648 10 0 AFAERO CC[C@H]1CC[C@@H](C)N(CC(F)F)C1 307249497 345921692 /nfs/dbraw/zinc/92/16/92/345921692.db2.gz OLQKPKNBILKSDA-BDAKNGLRSA-N 1 0 191.265 2.762 10 0 AFAERO CC(C)(C)C[C@]1(C)CC[C@@](C)(C[NH3+])O1 307249732 345921941 /nfs/dbraw/zinc/92/19/41/345921941.db2.gz OUOXKVZYYXRJNU-RYUDHWBXSA-N 1 0 199.338 2.709 10 0 AFAERO CC(C)(C)C[C@@]1(C)CC[C@](C)(C[NH3+])O1 307249733 345921945 /nfs/dbraw/zinc/92/19/45/345921945.db2.gz OUOXKVZYYXRJNU-VXGBXAGGSA-N 1 0 199.338 2.709 10 0 AFAERO C[C@@H]1CCC[C@H]1[C@]1([NH3+])[C@H]2CCC[C@H]21 307249571 345921947 /nfs/dbraw/zinc/92/19/47/345921947.db2.gz OQENKBAEUWTWHE-PZWNZHSQSA-N 1 0 179.307 2.550 10 0 AFAERO C[C@@H]1CCC[C@@H]1[C@]1([NH3+])[C@H]2CCC[C@H]21 307249569 345921981 /nfs/dbraw/zinc/92/19/81/345921981.db2.gz OQENKBAEUWTWHE-CSYMLDBXSA-N 1 0 179.307 2.550 10 0 AFAERO CC(C)(C)C[C@]1(C)CC[C@](C)(C[NH3+])O1 307249731 345922075 /nfs/dbraw/zinc/92/20/75/345922075.db2.gz OUOXKVZYYXRJNU-NWDGAFQWSA-N 1 0 199.338 2.709 10 0 AFAERO CC(C)(C)C[C@@]1(C)CC[C@@](C)(C[NH3+])O1 307249730 345922164 /nfs/dbraw/zinc/92/21/64/345922164.db2.gz OUOXKVZYYXRJNU-NEPJUHHUSA-N 1 0 199.338 2.709 10 0 AFAERO F[C@@H]1CCCC[C@H]1[NH2+]Cc1ccoc1 307252080 345923588 /nfs/dbraw/zinc/92/35/88/345923588.db2.gz RKOSEAFHVIWASJ-GHMZBOCLSA-N 1 0 197.253 2.650 10 0 AFAERO CC(C)C1CC([NH2+][C@@H]2CCC[C@@H]2F)C1 307252816 345924283 /nfs/dbraw/zinc/92/42/83/345924283.db2.gz TWQXJVXKIOTXRO-MMVSWEMESA-N 1 0 199.313 2.901 10 0 AFAERO C[NH2+][C@H](c1csc(C)n1)C1(C)CC1 307253009 345924482 /nfs/dbraw/zinc/92/44/82/345924482.db2.gz UHVUWNBSNZBYPD-SECBINFHSA-N 1 0 196.319 2.512 10 0 AFAERO C[NH2+][C@@H](c1csc(C)n1)C1(C)CC1 307253010 345924748 /nfs/dbraw/zinc/92/47/48/345924748.db2.gz UHVUWNBSNZBYPD-VIFPVBQESA-N 1 0 196.319 2.512 10 0 AFAERO CC[C@@H]1C[NH2+]C[C@](C)(CC(C)(C)C)O1 307253682 345925138 /nfs/dbraw/zinc/92/51/38/345925138.db2.gz VXPOQGJERJIQJL-PWSUYJOCSA-N 1 0 199.338 2.580 10 0 AFAERO CC[C@@H]1C[NH2+]C[C@@](C)(CC(C)(C)C)O1 307253683 345925007 /nfs/dbraw/zinc/92/50/07/345925007.db2.gz VXPOQGJERJIQJL-ZYHUDNBSSA-N 1 0 199.338 2.580 10 0 AFAERO CC[C@H]1C[NH2+]C[C@](C)(CC(C)(C)C)O1 307253681 345925052 /nfs/dbraw/zinc/92/50/52/345925052.db2.gz VXPOQGJERJIQJL-JQWIXIFHSA-N 1 0 199.338 2.580 10 0 AFAERO CC[C@H]1C[NH2+]C[C@@](C)(CC(C)(C)C)O1 307253680 345925231 /nfs/dbraw/zinc/92/52/31/345925231.db2.gz VXPOQGJERJIQJL-CMPLNLGQSA-N 1 0 199.338 2.580 10 0 AFAERO Cc1ccoc1[C@H]1[NH2+]C[C@H]1C(C)C 307255445 345926688 /nfs/dbraw/zinc/92/66/88/345926688.db2.gz BAOHMVTYNIXSEQ-UWVGGRQHSA-N 1 0 179.263 2.505 10 0 AFAERO CSCC[NH+]1[C@H](C)CCC[C@H]1C 307255419 345926851 /nfs/dbraw/zinc/92/68/51/345926851.db2.gz AYNRERAIXCIKMP-NXEZZACHSA-N 1 0 187.352 2.612 10 0 AFAERO Cc1ccoc1[C@@H]1[NH2+]C[C@H]1C(C)C 307255446 345926888 /nfs/dbraw/zinc/92/68/88/345926888.db2.gz BAOHMVTYNIXSEQ-VHSXEESVSA-N 1 0 179.263 2.505 10 0 AFAERO Cc1ccoc1[C@@H]1[NH2+]C[C@@H]1C(C)C 307255443 345926901 /nfs/dbraw/zinc/92/69/01/345926901.db2.gz BAOHMVTYNIXSEQ-NXEZZACHSA-N 1 0 179.263 2.505 10 0 AFAERO C[C@@H]1CCC[C@@]([NH3+])(CC(F)F)C1 307255955 345927315 /nfs/dbraw/zinc/92/73/15/345927315.db2.gz AEAHTNPCHMWIRP-APPZFPTMSA-N 1 0 177.238 2.549 10 0 AFAERO CCC1(NC2=[NH+]CCCC2)CCCC1 307255493 345927387 /nfs/dbraw/zinc/92/73/87/345927387.db2.gz ZLGHOSAQYITLPY-UHFFFAOYSA-N 1 0 194.322 2.881 10 0 AFAERO C[C@H]1CCC[C@]([NH3+])(CC(F)F)C1 307255970 345927428 /nfs/dbraw/zinc/92/74/28/345927428.db2.gz AEAHTNPCHMWIRP-IONNQARKSA-N 1 0 177.238 2.549 10 0 AFAERO C/C(=C\C1(C)CCCCC1)C[NH3+] 307256504 345927694 /nfs/dbraw/zinc/92/76/94/345927694.db2.gz BYPROHXXUWZVGI-CSKARUKUSA-N 1 0 167.296 2.862 10 0 AFAERO Cc1cc(NCC2(C)CC2)cc(C)[nH+]1 307260128 345930785 /nfs/dbraw/zinc/93/07/85/345930785.db2.gz MADLOHNXUHADHI-UHFFFAOYSA-N 1 0 190.290 2.910 10 0 AFAERO CC(C)(C)[C@H]1C[NH2+][C@@H]1C(C)(C)C 307260063 345930861 /nfs/dbraw/zinc/93/08/61/345930861.db2.gz SAZIZNMOSGRVAQ-IUCAKERBSA-N 1 0 169.312 2.667 10 0 AFAERO CC(C)(C)[C@H]1C[NH2+][C@H]1C(C)(C)C 307260062 345930820 /nfs/dbraw/zinc/93/08/20/345930820.db2.gz SAZIZNMOSGRVAQ-DTWKUNHWSA-N 1 0 169.312 2.667 10 0 AFAERO CC[C@@]1(C2CCC2)[C@@H]([NH3+])C1(C)C 307260100 345930985 /nfs/dbraw/zinc/93/09/85/345930985.db2.gz SFSXJIANDLJGOT-GXSJLCMTSA-N 1 0 167.296 2.550 10 0 AFAERO CC(C)(C)[C@@H]1C[NH2+][C@H]1C(C)(C)C 307260064 345930992 /nfs/dbraw/zinc/93/09/92/345930992.db2.gz SAZIZNMOSGRVAQ-RKDXNWHRSA-N 1 0 169.312 2.667 10 0 AFAERO CC[C@@]1(C2CCC2)[C@H]([NH3+])C1(C)C 307260276 345931016 /nfs/dbraw/zinc/93/10/16/345931016.db2.gz SFSXJIANDLJGOT-MWLCHTKSSA-N 1 0 167.296 2.550 10 0 AFAERO CC[C@]1(C2CCC2)[C@H]([NH3+])C1(C)C 307260101 345931045 /nfs/dbraw/zinc/93/10/45/345931045.db2.gz SFSXJIANDLJGOT-KOLCDFICSA-N 1 0 167.296 2.550 10 0 AFAERO CC[C@]1(C2CCC2)[C@@H]([NH3+])C1(C)C 307260277 345931060 /nfs/dbraw/zinc/93/10/60/345931060.db2.gz SFSXJIANDLJGOT-ONGXEEELSA-N 1 0 167.296 2.550 10 0 AFAERO CC(C)(C)[C@H]1[NH2+]C[C@H]1C(C)(C)C 307260061 345931071 /nfs/dbraw/zinc/93/10/71/345931071.db2.gz SAZIZNMOSGRVAQ-BDAKNGLRSA-N 1 0 169.312 2.667 10 0 AFAERO C[C@H]1CC(C2CC([NH3+])C2)C[C@H](C)C1 307261050 345931373 /nfs/dbraw/zinc/93/13/73/345931373.db2.gz ONAVGUKWNYMVCC-WWAQEKKBSA-N 1 0 181.323 2.796 10 0 AFAERO C[C@@H]1CC(C2CC([NH3+])C2)C[C@@H](C)C1 307261049 345931577 /nfs/dbraw/zinc/93/15/77/345931577.db2.gz ONAVGUKWNYMVCC-CRRMYELQSA-N 1 0 181.323 2.796 10 0 AFAERO C[C@H]1C[C@@H](C)C[C@H](C2CC([NH3+])C2)C1 307261051 345931614 /nfs/dbraw/zinc/93/16/14/345931614.db2.gz ONAVGUKWNYMVCC-XSQGIZAWSA-N 1 0 181.323 2.796 10 0 AFAERO CC1(C)CCC([C@H]2C[C@H]2C[NH3+])CC1 307261483 345931924 /nfs/dbraw/zinc/93/19/24/345931924.db2.gz PLEGMAAUTRMDJP-WDEREUQCSA-N 1 0 181.323 2.798 10 0 AFAERO Cc1ccc(C)c([C@H]2C=CC[NH2+]2)c1 307261857 345931988 /nfs/dbraw/zinc/93/19/88/345931988.db2.gz QUZYWMLXTOPGPU-GFCCVEGCSA-N 1 0 173.259 2.504 10 0 AFAERO 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/nfs/dbraw/zinc/93/36/28/345933628.db2.gz ZISLHRATUAZRQK-JGAIRUGNSA-N 1 0 155.285 2.574 10 0 AFAERO C[C@@H]([NH3+])/C=C/c1ccsc1Cl 307264549 345933760 /nfs/dbraw/zinc/93/37/60/345933760.db2.gz CBPOKYJRNANMEN-YRFDSLTASA-N 1 0 187.695 2.762 10 0 AFAERO CC1(C[C@H]2CC[C@H]([NH3+])C2)CCC1 307264398 345933793 /nfs/dbraw/zinc/93/37/93/345933793.db2.gz KALZJWFNLNHVRD-UWVGGRQHSA-N 1 0 167.296 2.694 10 0 AFAERO CC1(C[C@@H]2CC[C@H]([NH3+])C2)CCC1 307264402 345933816 /nfs/dbraw/zinc/93/38/16/345933816.db2.gz KALZJWFNLNHVRD-ZJUUUORDSA-N 1 0 167.296 2.694 10 0 AFAERO CC1(C[C@H]2CC[C@@H]([NH3+])C2)CCC1 307264400 345933825 /nfs/dbraw/zinc/93/38/25/345933825.db2.gz KALZJWFNLNHVRD-VHSXEESVSA-N 1 0 167.296 2.694 10 0 AFAERO C[C@H]([NH3+])/C=C/c1ccsc1Cl 307264547 345933871 /nfs/dbraw/zinc/93/38/71/345933871.db2.gz CBPOKYJRNANMEN-SZKDQXIBSA-N 1 0 187.695 2.762 10 0 AFAERO CC1(C[C@@H]2CC[C@@H]([NH3+])C2)CCC1 307264396 345933928 /nfs/dbraw/zinc/93/39/28/345933928.db2.gz KALZJWFNLNHVRD-NXEZZACHSA-N 1 0 167.296 2.694 10 0 AFAERO C/C(=C/[C@H](C)C(C)(C)C)C[NH3+] 307263931 345933998 /nfs/dbraw/zinc/93/39/98/345933998.db2.gz ZISLHRATUAZRQK-XZLDQRQTSA-N 1 0 155.285 2.574 10 0 AFAERO CC1(C)C[NH2+][C@H]1C1(C)CCCC1 307265801 345934993 /nfs/dbraw/zinc/93/49/93/345934993.db2.gz BNRHDUDWZBASLC-SECBINFHSA-N 1 0 167.296 2.565 10 0 AFAERO CC[C@]1(C2CCCC2)CC[NH2+]C1 307265693 345935025 /nfs/dbraw/zinc/93/50/25/345935025.db2.gz BIDDCTSDGGBWEU-NSHDSACASA-N 1 0 167.296 2.566 10 0 AFAERO CC[C@@]1(C2CCCC2)CC[NH2+]C1 307265692 345935038 /nfs/dbraw/zinc/93/50/38/345935038.db2.gz BIDDCTSDGGBWEU-LLVKDONJSA-N 1 0 167.296 2.566 10 0 AFAERO CC1(C)C[NH2+][C@@H]1C1(C)CCCC1 307265803 345935105 /nfs/dbraw/zinc/93/51/05/345935105.db2.gz BNRHDUDWZBASLC-VIFPVBQESA-N 1 0 167.296 2.565 10 0 AFAERO C[C@@H]1[NH2+]CC[C@H]1[C@@H](C)C(C)(C)C 307266095 345935128 /nfs/dbraw/zinc/93/51/28/345935128.db2.gz ZFCPAFCZRIZNFJ-UTLUCORTSA-N 1 0 169.312 2.667 10 0 AFAERO C[C@@H]1[NH2+]CC[C@@H]1[C@H](C)C(C)(C)C 307266094 345935139 /nfs/dbraw/zinc/93/51/39/345935139.db2.gz ZFCPAFCZRIZNFJ-LPEHRKFASA-N 1 0 169.312 2.667 10 0 AFAERO C[C@@H]1[NH2+]CC[C@H]1[C@H](C)C(C)(C)C 307266092 345935164 /nfs/dbraw/zinc/93/51/64/345935164.db2.gz ZFCPAFCZRIZNFJ-GUBZILKMSA-N 1 0 169.312 2.667 10 0 AFAERO CC1=C(c2ccc(C)s2)C[NH2+]CC1 307266530 345935706 /nfs/dbraw/zinc/93/57/06/345935706.db2.gz DGWMKGRYZQDLKB-UHFFFAOYSA-N 1 0 193.315 2.823 10 0 AFAERO CC1(C[C@@H]2CSC[C@@H]2[NH3+])CCCC1 307267129 345936098 /nfs/dbraw/zinc/93/60/98/345936098.db2.gz DLPZSSWZXIXGBH-ZJUUUORDSA-N 1 0 199.363 2.647 10 0 AFAERO CC1(C[C@H]2CSC[C@H]2[NH3+])CCCC1 307267124 345936104 /nfs/dbraw/zinc/93/61/04/345936104.db2.gz DLPZSSWZXIXGBH-VHSXEESVSA-N 1 0 199.363 2.647 10 0 AFAERO CCC(C)(C)[C@@H]1[NH2+]CC12CCCC2 307267296 345936197 /nfs/dbraw/zinc/93/61/97/345936197.db2.gz IHSBHVITGXCPHT-JTQLQIEISA-N 1 0 181.323 2.955 10 0 AFAERO [NH3+]C1CC(=Cc2csc(Cl)c2)C1 307267666 345936209 /nfs/dbraw/zinc/93/62/09/345936209.db2.gz DVTXVIBTGBTEFV-UHFFFAOYSA-N 1 0 199.706 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/nfs/dbraw/zinc/27/42/62/347274262.db2.gz UVZCBRAPKQLAPL-YYEJGFRBSA-N 1 0 193.334 2.977 10 0 AFAERO C/C=C/C[NH2+][C@H]1[C@@H]2CCC[C@@H]2C1(C)C 624199641 347274326 /nfs/dbraw/zinc/27/43/26/347274326.db2.gz UVZCBRAPKQLAPL-GQJJHNKNSA-N 1 0 193.334 2.977 10 0 AFAERO CCCC[C@@H](C)[NH2+]C[C@H]1C[C@@H](OC)C1 624308133 347276647 /nfs/dbraw/zinc/27/66/47/347276647.db2.gz DOHWTBAKNCFVIY-UTUOFQBUSA-N 1 0 199.338 2.580 10 0 AFAERO CCC[C@@H](CC)[NH2+]C[C@H]1C[C@@H](OC)C1 624310793 347276785 /nfs/dbraw/zinc/27/67/85/347276785.db2.gz KFQIVLJRGFCBJV-UTUOFQBUSA-N 1 0 199.338 2.580 10 0 AFAERO CCCC[C@H](C)[NH2+]C[C@H]1C[C@@H](OC)C1 624308132 347276856 /nfs/dbraw/zinc/27/68/56/347276856.db2.gz DOHWTBAKNCFVIY-SDDRHHMPSA-N 1 0 199.338 2.580 10 0 AFAERO CCC[C@H](CC)[NH2+]C[C@H]1C[C@@H](OC)C1 624310792 347276974 /nfs/dbraw/zinc/27/69/74/347276974.db2.gz KFQIVLJRGFCBJV-SDDRHHMPSA-N 1 0 199.338 2.580 10 0 AFAERO CC[C@@H](C)[NH2+]C[C@H]1CCCC12CC2 624313184 347277451 /nfs/dbraw/zinc/27/74/51/347277451.db2.gz HEZSFGVDYJDWSJ-GHMZBOCLSA-N 1 0 181.323 2.955 10 0 AFAERO CC(C)[NH2+]C[C@H]1CCCC12CC2 624314146 347277516 /nfs/dbraw/zinc/27/75/16/347277516.db2.gz DBIIEQAROZKUFC-SNVBAGLBSA-N 1 0 167.296 2.565 10 0 AFAERO CC(C)[NH2+]C[C@@H]1CCCC12CC2 624314145 347277548 /nfs/dbraw/zinc/27/75/48/347277548.db2.gz DBIIEQAROZKUFC-JTQLQIEISA-N 1 0 167.296 2.565 10 0 AFAERO CC1CC([NH2+]C[C@@H]2CCCC23CC3)C1 624315029 347277580 /nfs/dbraw/zinc/27/75/80/347277580.db2.gz UPYCOINRRKWYBV-CXQJBGSLSA-N 1 0 193.334 2.955 10 0 AFAERO CC[C@H](C)[NH2+]C[C@@H]1CCCC12CC2 624313186 347277736 /nfs/dbraw/zinc/27/77/36/347277736.db2.gz HEZSFGVDYJDWSJ-QWRGUYRKSA-N 1 0 181.323 2.955 10 0 AFAERO CC1CC([NH2+]C[C@H]2CCCC23CC3)C1 624315030 347277748 /nfs/dbraw/zinc/27/77/48/347277748.db2.gz UPYCOINRRKWYBV-MOENNCHZSA-N 1 0 193.334 2.955 10 0 AFAERO CC[C@H](C)[NH2+]C[C@H]1CCCC12CC2 624313187 347277844 /nfs/dbraw/zinc/27/78/44/347277844.db2.gz HEZSFGVDYJDWSJ-WDEREUQCSA-N 1 0 181.323 2.955 10 0 AFAERO CC[C@@H](C)[NH2+]C[C@@H]1CCCC12CC2 624313185 347277857 /nfs/dbraw/zinc/27/78/57/347277857.db2.gz HEZSFGVDYJDWSJ-MNOVXSKESA-N 1 0 181.323 2.955 10 0 AFAERO COCC[N@H+](C(C)C)C1CCCCC1 624555812 347279151 /nfs/dbraw/zinc/27/91/51/347279151.db2.gz AUUOPBFMABXPFA-UHFFFAOYSA-N 1 0 199.338 2.676 10 0 AFAERO CCC(F)(F)CNc1ccccn1 624560302 347279301 /nfs/dbraw/zinc/27/93/01/347279301.db2.gz ZCDXZFYQXKCHQM-UHFFFAOYSA-N 1 0 186.205 2.539 10 0 AFAERO CCC[N@H+](CC)C[C@@H](OCC)C1CC1 625109162 347282469 /nfs/dbraw/zinc/28/24/69/347282469.db2.gz OGNKCTFZKJMGOV-GFCCVEGCSA-N 1 0 199.338 2.533 10 0 AFAERO CCCC[N@H+](C)C[C@H](OCC)C1CC1 625046693 347282648 /nfs/dbraw/zinc/28/26/48/347282648.db2.gz CKHZFRDJDBOXQZ-LBPRGKRZSA-N 1 0 199.338 2.533 10 0 AFAERO CCCC[N@H+](C)C[C@@H](OCC)C1CC1 625046692 347282937 /nfs/dbraw/zinc/28/29/37/347282937.db2.gz CKHZFRDJDBOXQZ-GFCCVEGCSA-N 1 0 199.338 2.533 10 0 AFAERO CCC[N@H+](CC)C[C@H](OCC)C1CC1 625109164 347283116 /nfs/dbraw/zinc/28/31/16/347283116.db2.gz OGNKCTFZKJMGOV-LBPRGKRZSA-N 1 0 199.338 2.533 10 0 AFAERO CCC[C@H](C)CCC[NH+]1CCOCC1 625046684 347283230 /nfs/dbraw/zinc/28/32/30/347283230.db2.gz BZXXEKADMAJRBW-LBPRGKRZSA-N 1 0 199.338 2.535 10 0 AFAERO C[C@@H]1CCC[N@@H+]1CC1CC(C)(C)C1 625202809 347283690 /nfs/dbraw/zinc/28/36/90/347283690.db2.gz FPOUJQISKGYQNH-SNVBAGLBSA-N 1 0 181.323 2.907 10 0 AFAERO C[C@H]1CCC[N@@H+]1CC1CC(C)(C)C1 625202808 347283953 /nfs/dbraw/zinc/28/39/53/347283953.db2.gz FPOUJQISKGYQNH-JTQLQIEISA-N 1 0 181.323 2.907 10 0 AFAERO C[C@H]1C[C@@H]1C[NH+]1CCC2(CC1)CC2 625274533 347284382 /nfs/dbraw/zinc/28/43/82/347284382.db2.gz KKOHQWQZXRODFP-WDEREUQCSA-N 1 0 179.307 2.518 10 0 AFAERO C[C@H]1C[C@H]1C[NH+]1CCC2(CC1)CC2 625274531 347284500 /nfs/dbraw/zinc/28/45/00/347284500.db2.gz KKOHQWQZXRODFP-QWRGUYRKSA-N 1 0 179.307 2.518 10 0 AFAERO C[C@@H]1C[C@@H]1C[NH+]1CCC2(CC1)CC2 625274528 347284509 /nfs/dbraw/zinc/28/45/09/347284509.db2.gz KKOHQWQZXRODFP-GHMZBOCLSA-N 1 0 179.307 2.518 10 0 AFAERO CCO[C@H](C[N@H+](C)[C@@H](C)CC)C1CC1 625250116 347284629 /nfs/dbraw/zinc/28/46/29/347284629.db2.gz HUYUCXWJMFKFBA-CMPLNLGQSA-N 1 0 199.338 2.532 10 0 AFAERO CCO[C@H](C[N@H+](C)[C@H](C)CC)C1CC1 625250119 347284643 /nfs/dbraw/zinc/28/46/43/347284643.db2.gz HUYUCXWJMFKFBA-ZYHUDNBSSA-N 1 0 199.338 2.532 10 0 AFAERO CCO[C@@H](C[N@H+](C)[C@@H](C)CC)C1CC1 625250117 347284667 /nfs/dbraw/zinc/28/46/67/347284667.db2.gz HUYUCXWJMFKFBA-JQWIXIFHSA-N 1 0 199.338 2.532 10 0 AFAERO CCO[C@@H](C[N@H+](C)[C@H](C)CC)C1CC1 625250118 347284782 /nfs/dbraw/zinc/28/47/82/347284782.db2.gz HUYUCXWJMFKFBA-PWSUYJOCSA-N 1 0 199.338 2.532 10 0 AFAERO C[C@@H]1C[C@H]1C[NH+]1CCC2(CC1)CC2 625274529 347284853 /nfs/dbraw/zinc/28/48/53/347284853.db2.gz KKOHQWQZXRODFP-MNOVXSKESA-N 1 0 179.307 2.518 10 0 AFAERO CCO[C@@H](C[N@H+](C)C(C)(C)C)C1CC1 625510125 347287155 /nfs/dbraw/zinc/28/71/55/347287155.db2.gz XQQZUIHRPRWXKV-NSHDSACASA-N 1 0 199.338 2.532 10 0 AFAERO C[C@@H]1C[C@@H]1C[N@@H+]1[C@H](C)CCC1(C)C 625463423 347287185 /nfs/dbraw/zinc/28/71/85/347287185.db2.gz GPFFZFSOBDOLGZ-GMTAPVOTSA-N 1 0 181.323 2.905 10 0 AFAERO C[C@@H]1C[C@H]1C[N@@H+]1[C@H](C)CCC1(C)C 625463424 347287209 /nfs/dbraw/zinc/28/72/09/347287209.db2.gz GPFFZFSOBDOLGZ-MXWKQRLJSA-N 1 0 181.323 2.905 10 0 AFAERO CC[C@H](C)[N@H+](CC)C[C@H]1C[C@@H]1C 625528628 347287355 /nfs/dbraw/zinc/28/73/55/347287355.db2.gz HUUCSYHGONNJJR-GARJFASQSA-N 1 0 169.312 2.763 10 0 AFAERO C[C@H]1CCC(C)(C)[N@@H+]1C[C@H]1C[C@H]1C 625463425 347287368 /nfs/dbraw/zinc/28/73/68/347287368.db2.gz GPFFZFSOBDOLGZ-OUAUKWLOSA-N 1 0 181.323 2.905 10 0 AFAERO CC[C@H](C)[N@H+](CC)C[C@H]1C[C@H]1C 625528629 347287574 /nfs/dbraw/zinc/28/75/74/347287574.db2.gz HUUCSYHGONNJJR-OUAUKWLOSA-N 1 0 169.312 2.763 10 0 AFAERO CCO[C@H](C[N@H+](C)C(C)(C)C)C1CC1 625510123 347287706 /nfs/dbraw/zinc/28/77/06/347287706.db2.gz XQQZUIHRPRWXKV-LLVKDONJSA-N 1 0 199.338 2.532 10 0 AFAERO CC[C@H](C)[N@H+](CC)C[C@@H]1C[C@H]1C 625528631 347287825 /nfs/dbraw/zinc/28/78/25/347287825.db2.gz 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193.334 2.907 10 0 AFAERO CC1(C)CC(C[N@@H+]2CC[C@H]3C[C@H]3C2)C1 625556488 347288488 /nfs/dbraw/zinc/28/84/88/347288488.db2.gz FMPPLTCLTPHJCS-RYUDHWBXSA-N 1 0 193.334 2.764 10 0 AFAERO CC1C[C@@H]2CC[C@H](C1)[N@@H+]2C[C@H]1C[C@H]1C 625560687 347288554 /nfs/dbraw/zinc/28/85/54/347288554.db2.gz OUHVIXTXEBFFDV-CBZUXLNKSA-N 1 0 193.334 2.905 10 0 AFAERO CC1C[C@@H]2CC[C@H](C1)[N@@H+]2C[C@@H]1C[C@@H]1C 625560689 347288626 /nfs/dbraw/zinc/28/86/26/347288626.db2.gz OUHVIXTXEBFFDV-LGNXWEDYSA-N 1 0 193.334 2.905 10 0 AFAERO CC[C@H](C)[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 625777463 347291758 /nfs/dbraw/zinc/29/17/58/347291758.db2.gz FUGCGPYIHBXMQP-AXFHLTTASA-N 1 0 199.363 2.755 10 0 AFAERO CC[C@@H](C)[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 625777464 347291950 /nfs/dbraw/zinc/29/19/50/347291950.db2.gz FUGCGPYIHBXMQP-MXWKQRLJSA-N 1 0 199.363 2.755 10 0 AFAERO CC(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 625771342 347292223 /nfs/dbraw/zinc/29/22/23/347292223.db2.gz BYOAHFIVOCDUPL-MNOVXSKESA-N 1 0 199.363 2.612 10 0 AFAERO 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173.275 2.513 10 0 AFAERO F[C@@H](c1ccc(Cl)cc1)C1C[NH2+]C1 257850858 351852484 /nfs/dbraw/zinc/85/24/84/351852484.db2.gz MOUPYGKYMFUAFJ-JTQLQIEISA-N 1 0 199.656 2.570 10 0 AFAERO F[C@H](c1ccc(Cl)cc1)C1C[NH2+]C1 257850859 351852542 /nfs/dbraw/zinc/85/25/42/351852542.db2.gz MOUPYGKYMFUAFJ-SNVBAGLBSA-N 1 0 199.656 2.570 10 0 AFAERO F[C@H](c1cccc(Cl)c1)C1C[NH2+]C1 257855466 351853076 /nfs/dbraw/zinc/85/30/76/351853076.db2.gz NPWUBZYQKHYKQM-SNVBAGLBSA-N 1 0 199.656 2.570 10 0 AFAERO CC(C)c1ccccc1[C@](C)(F)C[NH3+] 257875354 351853080 /nfs/dbraw/zinc/85/30/80/351853080.db2.gz ZBUSCNCJXSKUKY-GFCCVEGCSA-N 1 0 195.281 2.953 10 0 AFAERO F[C@@H](c1cccc(Cl)c1)C1C[NH2+]C1 257855463 351853174 /nfs/dbraw/zinc/85/31/74/351853174.db2.gz NPWUBZYQKHYKQM-JTQLQIEISA-N 1 0 199.656 2.570 10 0 AFAERO [NH3+]C1(CC2CCC2)CCCCC1 257869871 351853432 /nfs/dbraw/zinc/85/34/32/351853432.db2.gz AABIWZQYZWPKHM-UHFFFAOYSA-N 1 0 167.296 2.838 10 0 AFAERO CC(C)c1ccccc1[C@@](C)(F)C[NH3+] 257875358 351853592 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/nfs/dbraw/zinc/20/29/42/352202942.db2.gz MMXYSECHVSOFJG-SNVBAGLBSA-N 1 0 199.244 2.958 10 0 AFAERO Cc1cc(C)cc([C@H]([NH3+])CC(F)F)c1 575437289 352202957 /nfs/dbraw/zinc/20/29/57/352202957.db2.gz CJMZFXVKHJPUCY-SNVBAGLBSA-N 1 0 199.244 2.958 10 0 AFAERO Cc1ccc(C)c([C@H]([NH3+])CC(F)F)c1 575436578 352202976 /nfs/dbraw/zinc/20/29/76/352202976.db2.gz BYALWPODVNVEBW-SNVBAGLBSA-N 1 0 199.244 2.958 10 0 AFAERO Cc1cccc(C)c1[C@H]([NH3+])CC(F)F 575437805 352203003 /nfs/dbraw/zinc/20/30/03/352203003.db2.gz VDZCUZZDDZFIFX-SECBINFHSA-N 1 0 199.244 2.958 10 0 AFAERO Cc1ccc([C@@H]([NH3+])CC(F)F)c(C)c1 575437656 352203007 /nfs/dbraw/zinc/20/30/07/352203007.db2.gz MMXYSECHVSOFJG-JTQLQIEISA-N 1 0 199.244 2.958 10 0 AFAERO Cc1ccc([C@H]([NH3+])CC(F)F)cc1C 575437669 352203019 /nfs/dbraw/zinc/20/30/19/352203019.db2.gz NLARADZCNCEVBP-SNVBAGLBSA-N 1 0 199.244 2.958 10 0 AFAERO Cc1cccc([C@@H]([NH3+])CC(F)F)c1C 575437543 352203025 /nfs/dbraw/zinc/20/30/25/352203025.db2.gz INIRWWAUUDOZMD-JTQLQIEISA-N 1 0 199.244 2.958 10 0 AFAERO Cc1ccc([C@H]([NH3+])CC(F)F)cc1 575437426 352203033 /nfs/dbraw/zinc/20/30/33/352203033.db2.gz WOSXZCVWGIRLBK-SECBINFHSA-N 1 0 185.217 2.650 10 0 AFAERO Cc1cc(C)c([C@H]([NH3+])CCF)c(C)c1 575438914 352203173 /nfs/dbraw/zinc/20/31/73/352203173.db2.gz GUFKICFZHCOFGX-LLVKDONJSA-N 1 0 195.281 2.971 10 0 AFAERO [NH3+][C@H](CCF)c1cccc(Cl)c1 575438743 352203195 /nfs/dbraw/zinc/20/31/95/352203195.db2.gz GVPFIPWSJQXILE-SECBINFHSA-N 1 0 187.645 2.699 10 0 AFAERO Cc1cc(C)cc([C@H]([NH3+])CCF)c1 575438824 352203398 /nfs/dbraw/zinc/20/33/98/352203398.db2.gz BROATWCBMXQSEU-LLVKDONJSA-N 1 0 181.254 2.663 10 0 AFAERO Cc1ccc([C@H]([NH3+])CCF)cc1C 575438885 352203451 /nfs/dbraw/zinc/20/34/51/352203451.db2.gz FEVAGAXHBNOJFJ-LLVKDONJSA-N 1 0 181.254 2.663 10 0 AFAERO Cc1cc(C)c([C@@H]([NH3+])CCF)c(C)c1 575438280 352203480 /nfs/dbraw/zinc/20/34/80/352203480.db2.gz GUFKICFZHCOFGX-NSHDSACASA-N 1 0 195.281 2.971 10 0 AFAERO Cc1ccc([C@@H]([NH3+])CCF)c(C)c1 575438379 352203487 /nfs/dbraw/zinc/20/34/87/352203487.db2.gz JOWTYVSZIMCWRZ-NSHDSACASA-N 1 0 181.254 2.663 10 0 AFAERO Cc1ccc([C@H]([NH3+])CCF)c(C)c1 575438371 352203563 /nfs/dbraw/zinc/20/35/63/352203563.db2.gz JOWTYVSZIMCWRZ-LLVKDONJSA-N 1 0 181.254 2.663 10 0 AFAERO [NH3+][C@H](CCF)c1ccc2[nH]ccc2c1 575438779 352203608 /nfs/dbraw/zinc/20/36/08/352203608.db2.gz AMCNKYAYEUSJAM-SNVBAGLBSA-N 1 0 192.237 2.527 10 0 AFAERO Cc1ccc([C@@H]([NH3+])CC(F)F)cc1C 575438941 352203633 /nfs/dbraw/zinc/20/36/33/352203633.db2.gz NLARADZCNCEVBP-JTQLQIEISA-N 1 0 199.244 2.958 10 0 AFAERO [NH3+][C@@H](CCF)c1cccc2[nH]ccc12 575439121 352203858 /nfs/dbraw/zinc/20/38/58/352203858.db2.gz PYVQEQBTDXFKPD-JTQLQIEISA-N 1 0 192.237 2.527 10 0 AFAERO [NH3+][C@@H](CCF)c1ccc2cc[nH]c2c1 575439282 352203895 /nfs/dbraw/zinc/20/38/95/352203895.db2.gz RQQISMBFAFJZPP-JTQLQIEISA-N 1 0 192.237 2.527 10 0 AFAERO Cc1ccc(C)c([C@H]([NH3+])CCF)c1 575439978 352203927 /nfs/dbraw/zinc/20/39/27/352203927.db2.gz YOIRKROVJQXYLU-LLVKDONJSA-N 1 0 181.254 2.663 10 0 AFAERO Cc1cc(C)cc([C@@H]([NH3+])CCF)c1 575439501 352203949 /nfs/dbraw/zinc/20/39/49/352203949.db2.gz BROATWCBMXQSEU-NSHDSACASA-N 1 0 181.254 2.663 10 0 AFAERO Cc1ccc([C@@H]([NH3+])CCF)cc1C 575439534 352203966 /nfs/dbraw/zinc/20/39/66/352203966.db2.gz FEVAGAXHBNOJFJ-NSHDSACASA-N 1 0 181.254 2.663 10 0 AFAERO [NH3+][C@@H](CCF)c1ccc(Cl)cc1 575439331 352203991 /nfs/dbraw/zinc/20/39/91/352203991.db2.gz RTOLUFQHFHXPMT-VIFPVBQESA-N 1 0 187.645 2.699 10 0 AFAERO [NH3+][C@H](CCF)c1cccc2[nH]ccc12 575439977 352203996 /nfs/dbraw/zinc/20/39/96/352203996.db2.gz PYVQEQBTDXFKPD-SNVBAGLBSA-N 1 0 192.237 2.527 10 0 AFAERO [NH3+][C@@H](CCF)c1cccc(Cl)c1 575439553 352203998 /nfs/dbraw/zinc/20/39/98/352203998.db2.gz GVPFIPWSJQXILE-VIFPVBQESA-N 1 0 187.645 2.699 10 0 AFAERO Cc1ccc(C)c([C@@H]([NH3+])CCF)c1 575439979 352204006 /nfs/dbraw/zinc/20/40/06/352204006.db2.gz YOIRKROVJQXYLU-NSHDSACASA-N 1 0 181.254 2.663 10 0 AFAERO [NH3+][C@H](CCF)c1ccc(Cl)cc1 575439285 352204036 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CSc1ccc([C@H]([NH3+])CCF)cc1 575440040 352204733 /nfs/dbraw/zinc/20/47/33/352204733.db2.gz ZQXQQJVVDGKQOE-SNVBAGLBSA-N 1 0 199.294 2.768 10 0 AFAERO Cc1cccc([C@@H]([NH3+])CCF)c1C 575440473 352204918 /nfs/dbraw/zinc/20/49/18/352204918.db2.gz XKGKPZUTJSQOHP-NSHDSACASA-N 1 0 181.254 2.663 10 0 AFAERO Cc1cccc([C@H]([NH3+])CCF)c1C 575440253 352204930 /nfs/dbraw/zinc/20/49/30/352204930.db2.gz XKGKPZUTJSQOHP-LLVKDONJSA-N 1 0 181.254 2.663 10 0 AFAERO CC(C)=CC/C=C1\CC[NH2+]C[C@@H]1C 575450842 352211592 /nfs/dbraw/zinc/21/15/92/352211592.db2.gz XRKJHDZLINANBE-DREKTBMASA-N 1 0 179.307 2.899 10 0 AFAERO CC(C)=CC/C=C1\CC[NH2+]C[C@H]1C 575450844 352211782 /nfs/dbraw/zinc/21/17/82/352211782.db2.gz XRKJHDZLINANBE-GGQLTLKSSA-N 1 0 179.307 2.899 10 0 AFAERO CC(C)=CC/C=C1/CC[C@@H]([NH3+])C1 575451823 352216106 /nfs/dbraw/zinc/21/61/06/352216106.db2.gz JHOLATHWTHWGLR-GULOHRGCSA-N 1 0 165.280 2.780 10 0 AFAERO CC(C)=CC/C=C1/CC[C@H]([NH3+])C1 575451826 352216119 /nfs/dbraw/zinc/21/61/19/352216119.db2.gz 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575454241 352224245 /nfs/dbraw/zinc/22/42/45/352224245.db2.gz QLXFWSPLDLRGHV-UHFFFAOYSA-N 1 0 179.307 2.875 10 0 AFAERO C/C=C/[C@@H]([NH3+])c1cccc(C)c1 575455531 352226342 /nfs/dbraw/zinc/22/63/42/352226342.db2.gz KJGTYWANGPHHSV-JOAKQRRISA-N 1 0 161.248 2.571 10 0 AFAERO C=C(Cl)/C=C1/CC[C@H]2C[NH2+]C[C@@H]2C1 575454831 352226356 /nfs/dbraw/zinc/22/63/56/352226356.db2.gz ZYOMUOCDEVEGRQ-XXLCQIKASA-N 1 0 197.709 2.685 10 0 AFAERO C=C(Cl)/C=C1/CC[C@@H]2C[NH2+]C[C@@H]2C1 575454822 352226362 /nfs/dbraw/zinc/22/63/62/352226362.db2.gz ZYOMUOCDEVEGRQ-BMMYIHMSSA-N 1 0 197.709 2.685 10 0 AFAERO C=C(Cl)/C=C1/CC[C@@H]2C[NH2+]C[C@H]2C1 575454829 352226375 /nfs/dbraw/zinc/22/63/75/352226375.db2.gz ZYOMUOCDEVEGRQ-MTUFZTHRSA-N 1 0 197.709 2.685 10 0 AFAERO C=C(Cl)/C=C1/CC[C@H]2C[NH2+]C[C@H]2C1 575454830 352226382 /nfs/dbraw/zinc/22/63/82/352226382.db2.gz ZYOMUOCDEVEGRQ-RJAQEEFZSA-N 1 0 197.709 2.685 10 0 AFAERO C/C=C/[C@H]([NH3+])c1cccc(C)c1 575455535 352226689 /nfs/dbraw/zinc/22/66/89/352226689.db2.gz 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352240486 /nfs/dbraw/zinc/24/04/86/352240486.db2.gz VUEIYHSYPVEZNI-XOPPAYCJSA-N 1 0 173.687 2.517 10 0 AFAERO C/C(=C\Cl)C[NH2+][C@]1(C)C[C@H]1C 575459355 352240496 /nfs/dbraw/zinc/24/04/96/352240496.db2.gz VUEIYHSYPVEZNI-LKJMDQPVSA-N 1 0 173.687 2.517 10 0 AFAERO C/C(=C/Cl)C[NH2+][C@]1(C)C[C@@H]1C 575459356 352240579 /nfs/dbraw/zinc/24/05/79/352240579.db2.gz VUEIYHSYPVEZNI-QRJDUPJOSA-N 1 0 173.687 2.517 10 0 AFAERO C/C(=C\Cl)C[NH2+][C@]1(C)C[C@@H]1C 575459352 352240674 /nfs/dbraw/zinc/24/06/74/352240674.db2.gz VUEIYHSYPVEZNI-KSOOHAFHSA-N 1 0 173.687 2.517 10 0 AFAERO C[Si](C)(C)C[C@]1([NH3+])CC=CCC1 575460815 352244293 /nfs/dbraw/zinc/24/42/93/352244293.db2.gz WJDAPBIYVAJBRW-JTQLQIEISA-N 1 0 183.371 2.762 10 0 AFAERO C[Si](C)(C)C[C@@]1([NH3+])CC=CCC1 575460816 352244437 /nfs/dbraw/zinc/24/44/37/352244437.db2.gz WJDAPBIYVAJBRW-SNVBAGLBSA-N 1 0 183.371 2.762 10 0 AFAERO Cc1ncc([C@@](C)([NH3+])C(C)(C)C)s1 575461584 352248186 /nfs/dbraw/zinc/24/81/86/352248186.db2.gz 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352513612 /nfs/dbraw/zinc/51/36/12/352513612.db2.gz FRUNJOMLZNTBNP-QMMMGPOBSA-N 1 0 189.249 2.693 10 0 AFAERO CC1(C)[C@@H]([NH3+])C12CCC(F)(F)CC2 575520749 352513728 /nfs/dbraw/zinc/51/37/28/352513728.db2.gz SLKNPNLUPHESDC-SSDOTTSWSA-N 1 0 189.249 2.549 10 0 AFAERO C[C@]1(C[C@@H]2CC[C@H]([NH3+])C2)CC1(F)F 575521001 352514594 /nfs/dbraw/zinc/51/45/94/352514594.db2.gz LCOTUVNZUDAFAF-VGMNWLOBSA-N 1 0 189.249 2.549 10 0 AFAERO C[C@]1(C[C@H]2CC[C@H]([NH3+])C2)CC1(F)F 575520996 352514667 /nfs/dbraw/zinc/51/46/67/352514667.db2.gz LCOTUVNZUDAFAF-CIUDSAMLSA-N 1 0 189.249 2.549 10 0 AFAERO C[C@]1(C[C@H]2CC[C@@H]([NH3+])C2)CC1(F)F 575521002 352514719 /nfs/dbraw/zinc/51/47/19/352514719.db2.gz LCOTUVNZUDAFAF-YIZRAAEISA-N 1 0 189.249 2.549 10 0 AFAERO C[C@]1(C[C@@H]2CC[C@@H]([NH3+])C2)CC1(F)F 575520998 352514846 /nfs/dbraw/zinc/51/48/46/352514846.db2.gz LCOTUVNZUDAFAF-HLTSFMKQSA-N 1 0 189.249 2.549 10 0 AFAERO CC[C@H](C)C1([NH3+])CCC(F)(F)CC1 575521207 352515958 /nfs/dbraw/zinc/51/59/58/352515958.db2.gz YHIXUOCKEPSCRZ-QMMMGPOBSA-N 1 0 191.265 2.939 10 0 AFAERO CC[C@@H](C)C1([NH3+])CCC(F)(F)CC1 575521206 352516188 /nfs/dbraw/zinc/51/61/88/352516188.db2.gz YHIXUOCKEPSCRZ-MRVPVSSYSA-N 1 0 191.265 2.939 10 0 AFAERO [NH3+]C1(C[C@@H]2C[C@H]3C[C@H]3C2)CCCC1 575521666 352518028 /nfs/dbraw/zinc/51/80/28/352518028.db2.gz DWBOZMYOWCPQMH-JGPRNRPPSA-N 1 0 179.307 2.694 10 0 AFAERO CC1CC([NH3+])(C[C@@H]2C[C@H]3C[C@H]3C2)C1 575521646 352518084 /nfs/dbraw/zinc/51/80/84/352518084.db2.gz CXIXEUHDTFJZHA-ULCLOTFOSA-N 1 0 179.307 2.550 10 0 AFAERO C1CC[NH2+][C@H]([C@@H]2C[C@@H]3C[C@@H]3C2)CC1 575521763 352518780 /nfs/dbraw/zinc/51/87/80/352518780.db2.gz JJCATGRPKYBQOQ-QCNOEVLYSA-N 1 0 179.307 2.565 10 0 AFAERO C1CC[NH2+][C@@H]([C@@H]2C[C@@H]3C[C@@H]3C2)CC1 575521762 352518883 /nfs/dbraw/zinc/51/88/83/352518883.db2.gz JJCATGRPKYBQOQ-NOOOWODRSA-N 1 0 179.307 2.565 10 0 AFAERO [NH3+][C@@H](c1cccs1)[C@@H]1C[C@@H]2C[C@@H]2C1 575521910 352519217 /nfs/dbraw/zinc/51/92/17/352519217.db2.gz RPWRVQDKJVLAHK-UYAYMFIHSA-N 1 0 193.315 2.794 10 0 AFAERO [NH3+][C@H](c1cccs1)[C@@H]1C[C@@H]2C[C@@H]2C1 575521909 352519330 /nfs/dbraw/zinc/51/93/30/352519330.db2.gz RPWRVQDKJVLAHK-SJQPAMGKSA-N 1 0 193.315 2.794 10 0 AFAERO CC1(C)[C@H]([NH3+])[C@]12CCC21CCCC1 575522576 352521812 /nfs/dbraw/zinc/52/18/12/352521812.db2.gz GFPMUWDUNLSTLU-JOYOIKCWSA-N 1 0 179.307 2.694 10 0 AFAERO CC1(C)[C@H]([NH3+])[C@@]12CCC21CCCC1 575522573 352521875 /nfs/dbraw/zinc/52/18/75/352521875.db2.gz GFPMUWDUNLSTLU-CABZTGNLSA-N 1 0 179.307 2.694 10 0 AFAERO C1C[NH2+][C@]2(CCC23CCCC3)SC1 575522541 352522163 /nfs/dbraw/zinc/52/21/63/352522163.db2.gz FYOYDSVOSDFZOF-LLVKDONJSA-N 1 0 197.347 2.763 10 0 AFAERO CC1(C)[C@@H]([NH3+])[C@@]12CCC21CCCC1 575522577 352522186 /nfs/dbraw/zinc/52/21/86/352522186.db2.gz GFPMUWDUNLSTLU-SKDRFNHKSA-N 1 0 179.307 2.694 10 0 AFAERO C1C[NH2+][C@@]2(CCC23CCCC3)SC1 575522543 352522190 /nfs/dbraw/zinc/52/21/90/352522190.db2.gz FYOYDSVOSDFZOF-NSHDSACASA-N 1 0 197.347 2.763 10 0 AFAERO CC1(C)[C@@H]([NH3+])[C@]12CCC21CCCC1 575522570 352522212 /nfs/dbraw/zinc/52/22/12/352522212.db2.gz GFPMUWDUNLSTLU-BXKDBHETSA-N 1 0 179.307 2.694 10 0 AFAERO [NH3+]C1(C/C=C/Cl)CCCCC1 575522682 352522560 /nfs/dbraw/zinc/52/25/60/352522560.db2.gz BYGXDIIMXASMCR-XBXARRHUSA-N 1 0 173.687 2.791 10 0 AFAERO [NH3+][C@@H]1CC[C@@H](C[C@@H]2C[C@H]3C[C@H]3C2)C1 575522802 352523237 /nfs/dbraw/zinc/52/32/37/352523237.db2.gz YYZGQBSOQMNJFN-HHHUOAJASA-N 1 0 179.307 2.550 10 0 AFAERO [NH3+][C@@H]1CC[C@H](C[C@@H]2C[C@H]3C[C@H]3C2)C1 575522815 352523395 /nfs/dbraw/zinc/52/33/95/352523395.db2.gz YYZGQBSOQMNJFN-RMPHRYRLSA-N 1 0 179.307 2.550 10 0 AFAERO C[C@@H]1C[NH2+][C@@]2(CCC23CCCC3)S1 575522938 352523932 /nfs/dbraw/zinc/52/39/32/352523932.db2.gz LJEPEXYJTOCEQE-KOLCDFICSA-N 1 0 197.347 2.762 10 0 AFAERO C[C@@H]1C[NH2+][C@]2(CCC23CCCC3)S1 575522939 352524023 /nfs/dbraw/zinc/52/40/23/352524023.db2.gz LJEPEXYJTOCEQE-MWLCHTKSSA-N 1 0 197.347 2.762 10 0 AFAERO C[C@H]1C[NH2+][C@]2(CCC23CCCC3)S1 575522937 352524032 /nfs/dbraw/zinc/52/40/32/352524032.db2.gz LJEPEXYJTOCEQE-GXSJLCMTSA-N 1 0 197.347 2.762 10 0 AFAERO [NH3+]CC[C@H]1CCC12CCCCC2 575523202 352524649 /nfs/dbraw/zinc/52/46/49/352524649.db2.gz OQYWNAFROGVWNV-SNVBAGLBSA-N 1 0 167.296 2.696 10 0 AFAERO C1CCC2(CC1)CC[C@@]21CC[NH2+]C1 575523212 352524815 /nfs/dbraw/zinc/52/48/15/352524815.db2.gz PEOZUEMBBHROGL-LBPRGKRZSA-N 1 0 179.307 2.710 10 0 AFAERO C1CCC2(CC1)CC[C@]21CC[NH2+]C1 575523211 352525027 /nfs/dbraw/zinc/52/50/27/352525027.db2.gz PEOZUEMBBHROGL-GFCCVEGCSA-N 1 0 179.307 2.710 10 0 AFAERO [NH3+]CC[C@@H]1CCC12CCCCC2 575523201 352525080 /nfs/dbraw/zinc/52/50/80/352525080.db2.gz OQYWNAFROGVWNV-JTQLQIEISA-N 1 0 167.296 2.696 10 0 AFAERO C[NH2+][C@@H](C)Cc1ccsc1Cl 575523257 352525400 /nfs/dbraw/zinc/52/54/00/352525400.db2.gz IAURUZWWJBUEEV-LURJTMIESA-N 1 0 189.711 2.552 10 0 AFAERO C[NH2+][C@H](C)Cc1ccsc1Cl 575523258 352525703 /nfs/dbraw/zinc/52/57/03/352525703.db2.gz IAURUZWWJBUEEV-ZCFIWIBFSA-N 1 0 189.711 2.552 10 0 AFAERO C[C@@H]1CS[C@@]2(CCC23CCCC3)[NH2+]1 575523630 352526675 /nfs/dbraw/zinc/52/66/75/352526675.db2.gz UFPXZXRORIRRSI-MWLCHTKSSA-N 1 0 197.347 2.762 10 0 AFAERO C[C@H]1CS[C@]2(CCC23CCCC3)[NH2+]1 575523631 352526735 /nfs/dbraw/zinc/52/67/35/352526735.db2.gz UFPXZXRORIRRSI-ONGXEEELSA-N 1 0 197.347 2.762 10 0 AFAERO C[C@@H]1C[NH2+]C[C@@]12CCC21CCCC1 575523694 352526757 /nfs/dbraw/zinc/52/67/57/352526757.db2.gz VGIQXVDIVMERPL-PWSUYJOCSA-N 1 0 179.307 2.566 10 0 AFAERO C[C@@H]1CS[C@]2(CCC23CCCC3)[NH2+]1 575523629 352526881 /nfs/dbraw/zinc/52/68/81/352526881.db2.gz UFPXZXRORIRRSI-KOLCDFICSA-N 1 0 197.347 2.762 10 0 AFAERO C[C@H]1CS[C@@]2(CCC23CCCC3)[NH2+]1 575523628 352526914 /nfs/dbraw/zinc/52/69/14/352526914.db2.gz UFPXZXRORIRRSI-GXSJLCMTSA-N 1 0 197.347 2.762 10 0 AFAERO C[C@@H]1C[NH2+]C[C@]12CCC21CCCC1 575523695 352526950 /nfs/dbraw/zinc/52/69/50/352526950.db2.gz VGIQXVDIVMERPL-ZYHUDNBSSA-N 1 0 179.307 2.566 10 0 AFAERO C[C@H]1C[NH2+]C[C@@]12CCC21CCCC1 575523690 352526956 /nfs/dbraw/zinc/52/69/56/352526956.db2.gz VGIQXVDIVMERPL-JQWIXIFHSA-N 1 0 179.307 2.566 10 0 AFAERO C[C@H]1C[NH2+]C[C@]12CCC21CCCC1 575523686 352527008 /nfs/dbraw/zinc/52/70/08/352527008.db2.gz VGIQXVDIVMERPL-CMPLNLGQSA-N 1 0 179.307 2.566 10 0 AFAERO Fc1ccc([C@H]2C=CC[NH2+]2)cc1Cl 575524069 352528213 /nfs/dbraw/zinc/52/82/13/352528213.db2.gz QSDMDJOGAXLULT-SNVBAGLBSA-N 1 0 197.640 2.680 10 0 AFAERO Fc1ccc([C@@H]2C=CC[NH2+]2)cc1Cl 575524068 352528460 /nfs/dbraw/zinc/52/84/60/352528460.db2.gz QSDMDJOGAXLULT-JTQLQIEISA-N 1 0 197.640 2.680 10 0 AFAERO [NH3+][C@@H]1CC[C@@H]1c1ccc(F)c(Cl)c1 575524459 352530662 /nfs/dbraw/zinc/53/06/62/352530662.db2.gz VGBOKILKXMAKSL-GMSGAONNSA-N 1 0 199.656 2.684 10 0 AFAERO C[C@H]1C[NH2+]C[C@@]1(C)Cc1cccs1 575524292 352529472 /nfs/dbraw/zinc/52/94/72/352529472.db2.gz CGHYTKNDHCBKMN-GXSJLCMTSA-N 1 0 195.331 2.536 10 0 AFAERO C[C@H]1C[NH2+]C[C@]1(C)Cc1ccsc1 575524328 352529483 /nfs/dbraw/zinc/52/94/83/352529483.db2.gz FITBUBRQVGSVRM-ONGXEEELSA-N 1 0 195.331 2.536 10 0 AFAERO C[C@@H]1C[NH2+]C[C@]1(C)Cc1cccs1 575524293 352529510 /nfs/dbraw/zinc/52/95/10/352529510.db2.gz CGHYTKNDHCBKMN-KOLCDFICSA-N 1 0 195.331 2.536 10 0 AFAERO C[C@@H]1C[NH2+]C[C@@]1(C)Cc1ccsc1 575524324 352529532 /nfs/dbraw/zinc/52/95/32/352529532.db2.gz FITBUBRQVGSVRM-MWLCHTKSSA-N 1 0 195.331 2.536 10 0 AFAERO C[C@@H]1C[NH2+]C[C@@]1(C)Cc1cccs1 575524295 352529647 /nfs/dbraw/zinc/52/96/47/352529647.db2.gz CGHYTKNDHCBKMN-MWLCHTKSSA-N 1 0 195.331 2.536 10 0 AFAERO CC1(Cc2ccsc2)CC[NH2+]CC1 575524312 352529741 /nfs/dbraw/zinc/52/97/41/352529741.db2.gz FDGOCDNRSRHXBR-UHFFFAOYSA-N 1 0 195.331 2.680 10 0 AFAERO C[C@@H]1C[NH2+]C[C@]1(C)Cc1ccsc1 575524322 352529856 /nfs/dbraw/zinc/52/98/56/352529856.db2.gz FITBUBRQVGSVRM-KOLCDFICSA-N 1 0 195.331 2.536 10 0 AFAERO C[C@H]1C[NH2+]C[C@@]1(C)Cc1ccsc1 575524318 352529971 /nfs/dbraw/zinc/52/99/71/352529971.db2.gz FITBUBRQVGSVRM-GXSJLCMTSA-N 1 0 195.331 2.536 10 0 AFAERO C[C@H]1C[NH2+]C[C@]1(C)Cc1cccs1 575524297 352529990 /nfs/dbraw/zinc/52/99/90/352529990.db2.gz CGHYTKNDHCBKMN-ONGXEEELSA-N 1 0 195.331 2.536 10 0 AFAERO [NH3+][C@@H]1CC[C@H]1c1ccc(F)c(Cl)c1 575524461 352530214 /nfs/dbraw/zinc/53/02/14/352530214.db2.gz VGBOKILKXMAKSL-OIBJUYFYSA-N 1 0 199.656 2.684 10 0 AFAERO [NH3+][C@H]1CC[C@@H]1c1ccc(F)c(Cl)c1 575524464 352530451 /nfs/dbraw/zinc/53/04/51/352530451.db2.gz VGBOKILKXMAKSL-XCBNKYQSSA-N 1 0 199.656 2.684 10 0 AFAERO [NH3+][C@H]1CC[C@H]1c1ccc(F)c(Cl)c1 575524465 352530708 /nfs/dbraw/zinc/53/07/08/352530708.db2.gz VGBOKILKXMAKSL-XVKPBYJWSA-N 1 0 199.656 2.684 10 0 AFAERO CC1(C)[C@@H]([NH3+])[C@@]1(C)Cc1cccs1 575524725 352531198 /nfs/dbraw/zinc/53/11/98/352531198.db2.gz QZRNADBBGZDPOF-MWLCHTKSSA-N 1 0 195.331 2.664 10 0 AFAERO CC1(C)[C@@H]([NH3+])[C@]1(C)Cc1cccs1 575524724 352531222 /nfs/dbraw/zinc/53/12/22/352531222.db2.gz QZRNADBBGZDPOF-KOLCDFICSA-N 1 0 195.331 2.664 10 0 AFAERO CC1(C)[C@H]([NH3+])[C@]1(C)Cc1cccs1 575524726 352531280 /nfs/dbraw/zinc/53/12/80/352531280.db2.gz QZRNADBBGZDPOF-ONGXEEELSA-N 1 0 195.331 2.664 10 0 AFAERO CC1(C)[C@H]([NH3+])[C@@]1(C)Cc1ccsc1 575524689 352531401 /nfs/dbraw/zinc/53/14/01/352531401.db2.gz PXFFPGZYPRXHBN-GXSJLCMTSA-N 1 0 195.331 2.664 10 0 AFAERO CC1(C)[C@H]([NH3+])[C@@]1(C)Cc1cccs1 575524721 352531409 /nfs/dbraw/zinc/53/14/09/352531409.db2.gz QZRNADBBGZDPOF-GXSJLCMTSA-N 1 0 195.331 2.664 10 0 AFAERO CC1(C)[C@@H]([NH3+])[C@]1(C)Cc1ccsc1 575524692 352531429 /nfs/dbraw/zinc/53/14/29/352531429.db2.gz PXFFPGZYPRXHBN-KOLCDFICSA-N 1 0 195.331 2.664 10 0 AFAERO CC1(C)[C@H]([NH3+])[C@]1(C)Cc1ccsc1 575524694 352531432 /nfs/dbraw/zinc/53/14/32/352531432.db2.gz PXFFPGZYPRXHBN-ONGXEEELSA-N 1 0 195.331 2.664 10 0 AFAERO CC1(C)[C@@H]([NH3+])[C@@]1(C)Cc1ccsc1 575524693 352531520 /nfs/dbraw/zinc/53/15/20/352531520.db2.gz PXFFPGZYPRXHBN-MWLCHTKSSA-N 1 0 195.331 2.664 10 0 AFAERO CCC1(C2CCCCC2)C[NH2+]C1 575524828 352531728 /nfs/dbraw/zinc/53/17/28/352531728.db2.gz 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183.682 2.567 10 0 AFAERO C=C(Cl)/C=C1\CC[NH2+]CC1(C)C 575540063 352601944 /nfs/dbraw/zinc/60/19/44/352601944.db2.gz KQLVIMLGLSGXGE-RMKNXTFCSA-N 1 0 185.698 2.685 10 0 AFAERO C=C(Cl)C=C1C[C@@H]2CC[C@H](C1)[NH2+]2 575540041 352602217 /nfs/dbraw/zinc/60/22/17/352602217.db2.gz IWMQDJMYGWMDOZ-AOOOYVTPSA-N 1 0 183.682 2.580 10 0 AFAERO C=C(Cl)/C=C1/C[C@H]([NH3+])C12CCC2 575539965 352602247 /nfs/dbraw/zinc/60/22/47/352602247.db2.gz HOOXCWPMNBFZSS-RDOCRHDPSA-N 1 0 183.682 2.567 10 0 AFAERO C=C(Cl)/C=C1\C[C@@H]([NH3+])C12CCC2 575539966 352602316 /nfs/dbraw/zinc/60/23/16/352602316.db2.gz HOOXCWPMNBFZSS-WHXYTISESA-N 1 0 183.682 2.567 10 0 AFAERO CC1(C)CNc2cc[nH+]cc2SC1 575540308 352603019 /nfs/dbraw/zinc/60/30/19/352603019.db2.gz TZYJWEPWIHQUDV-UHFFFAOYSA-N 1 0 194.303 2.625 10 0 AFAERO C=C(Cl)/C=C(\C)[C@H]1CCC[NH2+]C1 575540224 352602836 /nfs/dbraw/zinc/60/28/36/352602836.db2.gz PAWREZAYPZPNAT-PCGIRMHASA-N 1 0 185.698 2.685 10 0 AFAERO C=C(Cl)/C=C(\C)[C@@H]1CCC[NH2+]C1 575540225 352602909 /nfs/dbraw/zinc/60/29/09/352602909.db2.gz PAWREZAYPZPNAT-QEHWCHDUSA-N 1 0 185.698 2.685 10 0 AFAERO C=C(Cl)C=C1CCC([NH3+])CC1 575540253 352603099 /nfs/dbraw/zinc/60/30/99/352603099.db2.gz PONPZMSTWRJBSH-UHFFFAOYSA-N 1 0 171.671 2.567 10 0 AFAERO C=C(Cl)/C=C(/C)[C@@H]1CCC[NH2+]C1 575540216 352603101 /nfs/dbraw/zinc/60/31/01/352603101.db2.gz PAWREZAYPZPNAT-BJPMOSCESA-N 1 0 185.698 2.685 10 0 AFAERO C=C(Cl)/C=C(/C)[C@H]1CCC[NH2+]C1 575540231 352603129 /nfs/dbraw/zinc/60/31/29/352603129.db2.gz PAWREZAYPZPNAT-ZEBCKKTISA-N 1 0 185.698 2.685 10 0 AFAERO CC(C)(C)[C@@H]([NH3+])[C@@H]1CCCC12CC2 575540406 352603369 /nfs/dbraw/zinc/60/33/69/352603369.db2.gz AHJYWGNYWHRNBB-UWVGGRQHSA-N 1 0 181.323 2.940 10 0 AFAERO CC(C)(C)[C@H]([NH3+])[C@@H]1CCCC12CC2 575540408 352603395 /nfs/dbraw/zinc/60/33/95/352603395.db2.gz AHJYWGNYWHRNBB-VHSXEESVSA-N 1 0 181.323 2.940 10 0 AFAERO CC(C)(C)[C@H]([NH3+])[C@H]1CCCC12CC2 575540402 352603624 /nfs/dbraw/zinc/60/36/24/352603624.db2.gz AHJYWGNYWHRNBB-NXEZZACHSA-N 1 0 181.323 2.940 10 0 AFAERO CC(C)(C)[C@@H]([NH3+])[C@H]1CCCC12CC2 575540417 352603712 /nfs/dbraw/zinc/60/37/12/352603712.db2.gz AHJYWGNYWHRNBB-ZJUUUORDSA-N 1 0 181.323 2.940 10 0 AFAERO C=C(Cl)/C=C(/C)[C@@H]1CCCC[NH2+]1 575540675 352604296 /nfs/dbraw/zinc/60/42/96/352604296.db2.gz ZITVEAAVDKGCGD-DMEOUFDRSA-N 1 0 185.698 2.827 10 0 AFAERO C=C(Cl)/C=C(\C)[C@H]1CCCC[NH2+]1 575540698 352605080 /nfs/dbraw/zinc/60/50/80/352605080.db2.gz ZITVEAAVDKGCGD-QROSGCPLSA-N 1 0 185.698 2.827 10 0 AFAERO C=C(Cl)/C=C(\C)[C@@H]1CCCC[NH2+]1 575540696 352605230 /nfs/dbraw/zinc/60/52/30/352605230.db2.gz ZITVEAAVDKGCGD-JARNTUPDSA-N 1 0 185.698 2.827 10 0 AFAERO C=C(Cl)/C=C(/C)[C@H]1CCCC[NH2+]1 575540693 352605273 /nfs/dbraw/zinc/60/52/73/352605273.db2.gz ZITVEAAVDKGCGD-GQYWMQPJSA-N 1 0 185.698 2.827 10 0 AFAERO Cc1cc(Cl)ccc1[C@H]1CC[C@H]1[NH3+] 575541895 352608936 /nfs/dbraw/zinc/60/89/36/352608936.db2.gz MCAIAAWOYLYXPR-GHMZBOCLSA-N 1 0 195.693 2.853 10 0 AFAERO Cc1cc(Cl)ccc1[C@H]1CC[C@@H]1[NH3+] 575541896 352609035 /nfs/dbraw/zinc/60/90/35/352609035.db2.gz MCAIAAWOYLYXPR-MNOVXSKESA-N 1 0 195.693 2.853 10 0 AFAERO Cc1cc(Cl)ccc1[C@@H]1CC[C@H]1[NH3+] 575541900 352609113 /nfs/dbraw/zinc/60/91/13/352609113.db2.gz MCAIAAWOYLYXPR-WDEREUQCSA-N 1 0 195.693 2.853 10 0 AFAERO Cc1cc(Cl)ccc1[C@@H]1CC[C@@H]1[NH3+] 575541898 352609194 /nfs/dbraw/zinc/60/91/94/352609194.db2.gz MCAIAAWOYLYXPR-QWRGUYRKSA-N 1 0 195.693 2.853 10 0 AFAERO CC[C@@H]1[NH2+][C@H](C)C[C@@H]1[C@H]1CC12CC2 575542084 352609522 /nfs/dbraw/zinc/60/95/22/352609522.db2.gz MRMCEGMOYNUNOC-DBIOUOCHSA-N 1 0 179.307 2.563 10 0 AFAERO CC[C@@H]1[NH2+][C@H](C)C[C@@H]1[C@@H]1CC12CC2 575542087 352609556 /nfs/dbraw/zinc/60/95/56/352609556.db2.gz MRMCEGMOYNUNOC-ZNSHCXBVSA-N 1 0 179.307 2.563 10 0 AFAERO C1=CCC([NH2+][C@H]2CCCC23CC3)C1 575542089 352609566 /nfs/dbraw/zinc/60/95/66/352609566.db2.gz MSMDDDNPCACZDP-NSHDSACASA-N 1 0 177.291 2.627 10 0 AFAERO CC[C@@H]1[NH2+][C@H](C)C[C@H]1[C@@H]1CC12CC2 575542085 352609607 /nfs/dbraw/zinc/60/96/07/352609607.db2.gz MRMCEGMOYNUNOC-RCWTZXSCSA-N 1 0 179.307 2.563 10 0 AFAERO C1=CCC([NH2+][C@@H]2CCCC23CC3)C1 575542088 352609636 /nfs/dbraw/zinc/60/96/36/352609636.db2.gz MSMDDDNPCACZDP-LLVKDONJSA-N 1 0 177.291 2.627 10 0 AFAERO CC[C@@H]1[NH2+][C@H](C)C[C@H]1[C@H]1CC12CC2 575542086 352609722 /nfs/dbraw/zinc/60/97/22/352609722.db2.gz MRMCEGMOYNUNOC-YTWAJWBKSA-N 1 0 179.307 2.563 10 0 AFAERO CC(C)(C)[NH2+][C@@H]1CCCC12CC2 575543359 352614848 /nfs/dbraw/zinc/61/48/48/352614848.db2.gz OYIJHUQEFYAURM-SECBINFHSA-N 1 0 167.296 2.707 10 0 AFAERO CC(C)(C)[NH2+][C@H]1CCCC12CC2 575543360 352615011 /nfs/dbraw/zinc/61/50/11/352615011.db2.gz OYIJHUQEFYAURM-VIFPVBQESA-N 1 0 167.296 2.707 10 0 AFAERO CC1([NH2+][C@H]2CCCC23CC3)CCC1 575543664 352615305 /nfs/dbraw/zinc/61/53/05/352615305.db2.gz RMCZFMOBYPADGS-JTQLQIEISA-N 1 0 179.307 2.851 10 0 AFAERO CC1([NH2+][C@@H]2CCCC23CC3)CCC1 575543665 352615549 /nfs/dbraw/zinc/61/55/49/352615549.db2.gz RMCZFMOBYPADGS-SNVBAGLBSA-N 1 0 179.307 2.851 10 0 AFAERO C[C@H]1CCS[C@@]2(CCCC23CC3)[NH2+]1 575543792 352615906 /nfs/dbraw/zinc/61/59/06/352615906.db2.gz AOHNIMYYQJQFGO-GXSJLCMTSA-N 1 0 197.347 2.762 10 0 AFAERO C[C@@H]1CCS[C@]2(CCCC23CC3)[NH2+]1 575543793 352616073 /nfs/dbraw/zinc/61/60/73/352616073.db2.gz AOHNIMYYQJQFGO-KOLCDFICSA-N 1 0 197.347 2.762 10 0 AFAERO C[C@H]1CCS[C@]2(CCCC23CC3)[NH2+]1 575543795 352616107 /nfs/dbraw/zinc/61/61/07/352616107.db2.gz AOHNIMYYQJQFGO-ONGXEEELSA-N 1 0 197.347 2.762 10 0 AFAERO C[C@@H]1CCS[C@@]2(CCCC23CC3)[NH2+]1 575543794 352616224 /nfs/dbraw/zinc/61/62/24/352616224.db2.gz AOHNIMYYQJQFGO-MWLCHTKSSA-N 1 0 197.347 2.762 10 0 AFAERO CC(C)=C[C@H]([NH3+])[C@@H]1CCCC12CC2 575544019 352616569 /nfs/dbraw/zinc/61/65/69/352616569.db2.gz SJRCHDAPTHVCBZ-QWRGUYRKSA-N 1 0 179.307 2.860 10 0 AFAERO CC(C)=C[C@@H]([NH3+])[C@@H]1CCCC12CC2 575544020 352616770 /nfs/dbraw/zinc/61/67/70/352616770.db2.gz SJRCHDAPTHVCBZ-WDEREUQCSA-N 1 0 179.307 2.860 10 0 AFAERO CC(C)=C[C@H]([NH3+])[C@H]1CCCC12CC2 575544017 352616859 /nfs/dbraw/zinc/61/68/59/352616859.db2.gz SJRCHDAPTHVCBZ-MNOVXSKESA-N 1 0 179.307 2.860 10 0 AFAERO CC(C)=C[C@@H]([NH3+])[C@H]1CCCC12CC2 575544014 352616897 /nfs/dbraw/zinc/61/68/97/352616897.db2.gz SJRCHDAPTHVCBZ-GHMZBOCLSA-N 1 0 179.307 2.860 10 0 AFAERO CC(C)[C@@H]1C[NH2+]CC[C@@H]1[C@H]1C[C@H]1C 575544230 352617282 /nfs/dbraw/zinc/61/72/82/352617282.db2.gz VFTXUHDFMFSNNE-WYUUTHIRSA-N 1 0 181.323 2.524 10 0 AFAERO CC(C)[C@@H]1C[NH2+]CC[C@@H]1[C@H]1C[C@@H]1C 575544227 352617337 /nfs/dbraw/zinc/61/73/37/352617337.db2.gz VFTXUHDFMFSNNE-USZNOCQGSA-N 1 0 181.323 2.524 10 0 AFAERO CC(C)[C@@H]1C[NH2+]CC[C@@H]1[C@@H]1C[C@@H]1C 575544223 352617377 /nfs/dbraw/zinc/61/73/77/352617377.db2.gz VFTXUHDFMFSNNE-QCNOEVLYSA-N 1 0 181.323 2.524 10 0 AFAERO CC(C)[C@@H]1C[NH2+]CC[C@@H]1[C@@H]1C[C@H]1C 575544221 352617469 /nfs/dbraw/zinc/61/74/69/352617469.db2.gz VFTXUHDFMFSNNE-KKOKHZNYSA-N 1 0 181.323 2.524 10 0 AFAERO C/C=C/[C@@H]([NH3+])[C@H](C)C(C)(C)C 575544401 352618008 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FEWFOFGISGHBKX-ZYHUDNBSSA-N 1 0 181.323 2.940 10 0 AFAERO CC(C)[C@@H](C)[C@@]1([NH3+])CCCC12CC2 575544393 352618205 /nfs/dbraw/zinc/61/82/05/352618205.db2.gz FEWFOFGISGHBKX-PWSUYJOCSA-N 1 0 181.323 2.940 10 0 AFAERO CC(C)[C@@H]([NH3+])[C@@H]1CCCC12CC2 575544504 352618247 /nfs/dbraw/zinc/61/82/47/352618247.db2.gz WKEKQNOFXYZJFG-VHSXEESVSA-N 1 0 167.296 2.550 10 0 AFAERO CC(C)[C@H](C)[C@]1([NH3+])CCCC12CC2 575544391 352618304 /nfs/dbraw/zinc/61/83/04/352618304.db2.gz FEWFOFGISGHBKX-CMPLNLGQSA-N 1 0 181.323 2.940 10 0 AFAERO C/C=C/[C@H]([NH3+])[C@H](C)C(C)(C)C 575544403 352618358 /nfs/dbraw/zinc/61/83/58/352618358.db2.gz FLNJKKBNYCTPNV-YKAJXJTPSA-N 1 0 155.285 2.572 10 0 AFAERO CC[C@@H]1CS[C@@]2(CCCC23CC3)[NH2+]1 575544654 352618630 /nfs/dbraw/zinc/61/86/30/352618630.db2.gz FYDCUNPMFOCMDX-MWLCHTKSSA-N 1 0 197.347 2.762 10 0 AFAERO CC[C@@H]1CS[C@]2(CCCC23CC3)[NH2+]1 575544653 352618830 /nfs/dbraw/zinc/61/88/30/352618830.db2.gz FYDCUNPMFOCMDX-KOLCDFICSA-N 1 0 197.347 2.762 10 0 AFAERO 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HYDIKBJLSFUBIQ-VHSXEESVSA-N 1 0 167.296 2.694 10 0 AFAERO C[C@H]1CCCC[C@@H]1C1([NH3+])CCC1 575549293 352633988 /nfs/dbraw/zinc/63/39/88/352633988.db2.gz HYDIKBJLSFUBIQ-UWVGGRQHSA-N 1 0 167.296 2.694 10 0 AFAERO C[C@@H]1CCCC[C@@H]1[C@H]([NH3+])C1(C)CC1 575549338 352634000 /nfs/dbraw/zinc/63/40/00/352634000.db2.gz IQICLMYLQAWHBC-VWYCJHECSA-N 1 0 181.323 2.940 10 0 AFAERO C[C@@H]1CCCC[C@@H]1[C@@H]([NH3+])C1(C)CC1 575549337 352634007 /nfs/dbraw/zinc/63/40/07/352634007.db2.gz IQICLMYLQAWHBC-OUAUKWLOSA-N 1 0 181.323 2.940 10 0 AFAERO C[C@@H]1CCCC[C@H]1C1([NH3+])CCC1 575549291 352634078 /nfs/dbraw/zinc/63/40/78/352634078.db2.gz HYDIKBJLSFUBIQ-NXEZZACHSA-N 1 0 167.296 2.694 10 0 AFAERO C[C@@H]1CCCC[C@@H]1C1([NH3+])CCC1 575549295 352634215 /nfs/dbraw/zinc/63/42/15/352634215.db2.gz HYDIKBJLSFUBIQ-ZJUUUORDSA-N 1 0 167.296 2.694 10 0 AFAERO C[C@@H]1CCCC[C@H]1[C@H]([NH3+])C1(C)CC1 575549336 352634279 /nfs/dbraw/zinc/63/42/79/352634279.db2.gz IQICLMYLQAWHBC-MXWKQRLJSA-N 1 0 181.323 2.940 10 0 AFAERO C[C@@H]1CCCC[C@H]1[C@@H]([NH3+])C1(C)CC1 575549333 352634344 /nfs/dbraw/zinc/63/43/44/352634344.db2.gz IQICLMYLQAWHBC-GMTAPVOTSA-N 1 0 181.323 2.940 10 0 AFAERO C[C@H]1CCC[C@@H](CC2([NH3+])CSC2)C1 575549418 352634574 /nfs/dbraw/zinc/63/45/74/352634574.db2.gz JNMAEXUAQAUPMU-VHSXEESVSA-N 1 0 199.363 2.647 10 0 AFAERO C1CC(C2(C3CC3)CC[NH2+]CC2)C1 575549393 352634623 /nfs/dbraw/zinc/63/46/23/352634623.db2.gz IVOINNHWBMNWSP-UHFFFAOYSA-N 1 0 179.307 2.566 10 0 AFAERO C[C@@H]1CCC[C@@H](CC2([NH3+])CSC2)C1 575549416 352634642 /nfs/dbraw/zinc/63/46/42/352634642.db2.gz JNMAEXUAQAUPMU-NXEZZACHSA-N 1 0 199.363 2.647 10 0 AFAERO CC1(C)[C@H]([NH3+])[C@@]1(C1CCC1)C1CC1 575549459 352634784 /nfs/dbraw/zinc/63/47/84/352634784.db2.gz KOSQWVXSGAVVHK-CMPLNLGQSA-N 1 0 179.307 2.550 10 0 AFAERO C[C@@H]1CCC[C@H](CC2([NH3+])CSC2)C1 575549419 352634790 /nfs/dbraw/zinc/63/47/90/352634790.db2.gz JNMAEXUAQAUPMU-ZJUUUORDSA-N 1 0 199.363 2.647 10 0 AFAERO C[C@H]1CCC[C@H](CC2([NH3+])CSC2)C1 575549417 352634911 /nfs/dbraw/zinc/63/49/11/352634911.db2.gz JNMAEXUAQAUPMU-UWVGGRQHSA-N 1 0 199.363 2.647 10 0 AFAERO CC1(C)[C@@H]([NH3+])[C@@]1(C1CCC1)C1CC1 575549462 352634919 /nfs/dbraw/zinc/63/49/19/352634919.db2.gz KOSQWVXSGAVVHK-ZYHUDNBSSA-N 1 0 179.307 2.550 10 0 AFAERO CC1(C)[C@@H]([NH3+])[C@]1(C1CCC1)C1CC1 575549461 352635015 /nfs/dbraw/zinc/63/50/15/352635015.db2.gz KOSQWVXSGAVVHK-PWSUYJOCSA-N 1 0 179.307 2.550 10 0 AFAERO C[C@H]1CCCC[C@@H]1[C@@H](C)[C@H](C)[NH3+] 575549706 352635324 /nfs/dbraw/zinc/63/53/24/352635324.db2.gz LYLOVEPHGTXETQ-NAKRPEOUSA-N 1 0 169.312 2.796 10 0 AFAERO C[C@H]([NH3+])[C@H](C)[C@@H]1CCCC[C@H]1C 575549708 352635275 /nfs/dbraw/zinc/63/52/75/352635275.db2.gz LYLOVEPHGTXETQ-VPOLOUISSA-N 1 0 169.312 2.796 10 0 AFAERO C[C@H]([NH3+])[C@H](C)[C@@H]1CCCC[C@@H]1C 575549709 352635313 /nfs/dbraw/zinc/63/53/13/352635313.db2.gz LYLOVEPHGTXETQ-XWLWVQCSSA-N 1 0 169.312 2.796 10 0 AFAERO C[C@@H]1CCCC[C@@H]1[C@H]1CC[C@H]([NH3+])C1 575549679 352635321 /nfs/dbraw/zinc/63/53/21/352635321.db2.gz LKTYIGSTHPRVLO-RHYQMDGZSA-N 1 0 181.323 2.940 10 0 AFAERO C[C@H]([NH3+])[C@H](C)[C@H]1CCCC[C@H]1C 575549707 352635322 /nfs/dbraw/zinc/63/53/22/352635322.db2.gz LYLOVEPHGTXETQ-RCWTZXSCSA-N 1 0 169.312 2.796 10 0 AFAERO C[C@@H]1CCCC[C@@H]1[C@@H]1CC[C@@H]([NH3+])C1 575549671 352635426 /nfs/dbraw/zinc/63/54/26/352635426.db2.gz LKTYIGSTHPRVLO-KKOKHZNYSA-N 1 0 181.323 2.940 10 0 AFAERO C[C@@H]1CCCC[C@@H]1[C@@H]1CC[C@H]([NH3+])C1 575549691 352635478 /nfs/dbraw/zinc/63/54/78/352635478.db2.gz LKTYIGSTHPRVLO-WYUUTHIRSA-N 1 0 181.323 2.940 10 0 AFAERO C[C@@H]1CCCC[C@@H]1[C@H]1CC[C@@H]([NH3+])C1 575549672 352635599 /nfs/dbraw/zinc/63/55/99/352635599.db2.gz LKTYIGSTHPRVLO-KXNHARMFSA-N 1 0 181.323 2.940 10 0 AFAERO C1CC([C@@]2(C3CC3)CCC[NH2+]C2)C1 575549945 352636027 /nfs/dbraw/zinc/63/60/27/352636027.db2.gz OAQSHAXGYONVJL-GFCCVEGCSA-N 1 0 179.307 2.566 10 0 AFAERO C[C@@H]1CCCC[C@H]1[C@@]1([NH3+])CC1(C)C 575550071 352636616 /nfs/dbraw/zinc/63/66/16/352636616.db2.gz PXTRWXCXTZSCAA-FOGDFJRCSA-N 1 0 181.323 2.940 10 0 AFAERO C1C[NH2+][C@](C2CCC2)(C2CC2)SC1 575549964 352636659 /nfs/dbraw/zinc/63/66/59/352636659.db2.gz OMJFUOZCWDIRGI-NSHDSACASA-N 1 0 197.347 2.619 10 0 AFAERO C[C@@H]1CCCC[C@@H]1[C@@]1([NH3+])CC1(C)C 575550073 352636714 /nfs/dbraw/zinc/63/67/14/352636714.db2.gz PXTRWXCXTZSCAA-SCVCMEIPSA-N 1 0 181.323 2.940 10 0 AFAERO CC[C@@H]1CCC[C@H](C2([NH3+])CSC2)C1 575549969 352636716 /nfs/dbraw/zinc/63/67/16/352636716.db2.gz OMTVDKCSXGAYKI-ZJUUUORDSA-N 1 0 199.363 2.647 10 0 AFAERO C1C[NH2+][C@@](C2CCC2)(C2CC2)SC1 575549963 352636755 /nfs/dbraw/zinc/63/67/55/352636755.db2.gz OMJFUOZCWDIRGI-LLVKDONJSA-N 1 0 197.347 2.619 10 0 AFAERO C[C@@H]1CCCC[C@@H]1[C@]1([NH3+])CC1(C)C 575550072 352636767 /nfs/dbraw/zinc/63/67/67/352636767.db2.gz PXTRWXCXTZSCAA-JFGNBEQYSA-N 1 0 181.323 2.940 10 0 AFAERO CC[C@H]1CCC[C@@H](C2([NH3+])CSC2)C1 575549968 352636779 /nfs/dbraw/zinc/63/67/79/352636779.db2.gz OMTVDKCSXGAYKI-VHSXEESVSA-N 1 0 199.363 2.647 10 0 AFAERO CC[C@@H]1CCC[C@@H](C2([NH3+])CSC2)C1 575549966 352636805 /nfs/dbraw/zinc/63/68/05/352636805.db2.gz OMTVDKCSXGAYKI-NXEZZACHSA-N 1 0 199.363 2.647 10 0 AFAERO C[C@@H]1CCCC[C@H]1[C@]1([NH3+])CC1(C)C 575550070 352636818 /nfs/dbraw/zinc/63/68/18/352636818.db2.gz PXTRWXCXTZSCAA-CKYFFXLPSA-N 1 0 181.323 2.940 10 0 AFAERO C1CC([C@]2(C3CC3)CCC[NH2+]C2)C1 575549946 352636876 /nfs/dbraw/zinc/63/68/76/352636876.db2.gz OAQSHAXGYONVJL-LBPRGKRZSA-N 1 0 179.307 2.566 10 0 AFAERO CC[C@H]1CCC[C@H](C2([NH3+])CSC2)C1 575549967 352636880 /nfs/dbraw/zinc/63/68/80/352636880.db2.gz OMTVDKCSXGAYKI-UWVGGRQHSA-N 1 0 199.363 2.647 10 0 AFAERO CC1CCC(CC2([NH3+])CSC2)CC1 575550228 352637448 /nfs/dbraw/zinc/63/74/48/352637448.db2.gz RGLDNGDQZHNUAZ-UHFFFAOYSA-N 1 0 199.363 2.647 10 0 AFAERO C[C@@H]1CCCC[C@@H]1[C@]1(C[NH3+])C[C@H]1C 575550407 352637867 /nfs/dbraw/zinc/63/78/67/352637867.db2.gz RNGVVLAIPPKWBW-WYUUTHIRSA-N 1 0 181.323 2.798 10 0 AFAERO C[C@@H]1CCCCC[C@]1([NH3+])C1CC1 575550283 352637873 /nfs/dbraw/zinc/63/78/73/352637873.db2.gz RNUOHTWFICXSSS-MWLCHTKSSA-N 1 0 167.296 2.694 10 0 AFAERO C[C@H]1C[C@@H](C)C[C@H](C2([NH3+])CSC2)C1 575550298 352637891 /nfs/dbraw/zinc/63/78/91/352637891.db2.gz RYDIYLYEBZLDRF-MYJAWHEDSA-N 1 0 199.363 2.503 10 0 AFAERO C[C@H]1CC[C@@]1([NH3+])[C@H]1CCCC[C@H]1C 575550422 352637933 /nfs/dbraw/zinc/63/79/33/352637933.db2.gz RWDSNPQAOZZPSK-RHYQMDGZSA-N 1 0 181.323 2.940 10 0 AFAERO C[C@@H]1CCCC[C@@H]1[C@@]1([NH3+])CC[C@H]1C 575550423 352637977 /nfs/dbraw/zinc/63/79/77/352637977.db2.gz RWDSNPQAOZZPSK-WISYIIOYSA-N 1 0 181.323 2.940 10 0 AFAERO C[C@H]1CCCCC[C@@]1([NH3+])C1CC1 575550285 352638052 /nfs/dbraw/zinc/63/80/52/352638052.db2.gz RNUOHTWFICXSSS-ONGXEEELSA-N 1 0 167.296 2.694 10 0 AFAERO CC(C)[C@]1([NH3+])CCCCC[C@H]1C 575550300 352638057 /nfs/dbraw/zinc/63/80/57/352638057.db2.gz SBBVSLAWYVDZJQ-GHMZBOCLSA-N 1 0 169.312 2.940 10 0 AFAERO C[C@@H]1CC(C2([NH3+])CSC2)C[C@@H](C)C1 575550297 352638108 /nfs/dbraw/zinc/63/81/08/352638108.db2.gz RYDIYLYEBZLDRF-IUCAKERBSA-N 1 0 199.363 2.503 10 0 AFAERO C[C@H]1CC[C@]1([NH3+])[C@H]1CCCC[C@H]1C 575550421 352638118 /nfs/dbraw/zinc/63/81/18/352638118.db2.gz RWDSNPQAOZZPSK-NOOOWODRSA-N 1 0 181.323 2.940 10 0 AFAERO C[C@H]1C[C@@]1(C[NH3+])[C@H]1CCCC[C@H]1C 575550405 352638207 /nfs/dbraw/zinc/63/82/07/352638207.db2.gz RNGVVLAIPPKWBW-RHYQMDGZSA-N 1 0 181.323 2.798 10 0 AFAERO C[C@H]1C[C@]1(C[NH3+])[C@H]1CCCC[C@H]1C 575550404 352638211 /nfs/dbraw/zinc/63/82/11/352638211.db2.gz RNGVVLAIPPKWBW-NOOOWODRSA-N 1 0 181.323 2.798 10 0 AFAERO CC(C)[C@@]1([NH3+])CCCCC[C@H]1C 575550301 352638223 /nfs/dbraw/zinc/63/82/23/352638223.db2.gz SBBVSLAWYVDZJQ-MNOVXSKESA-N 1 0 169.312 2.940 10 0 AFAERO C[C@H]1CC(C2([NH3+])CSC2)C[C@H](C)C1 575550299 352638276 /nfs/dbraw/zinc/63/82/76/352638276.db2.gz RYDIYLYEBZLDRF-RKDXNWHRSA-N 1 0 199.363 2.503 10 0 AFAERO C[C@@H]1CCCCC[C@@]1([NH3+])C1CC1 575550281 352638301 /nfs/dbraw/zinc/63/83/01/352638301.db2.gz RNUOHTWFICXSSS-KOLCDFICSA-N 1 0 167.296 2.694 10 0 AFAERO CC(C)[C@]1([NH3+])CCCCC[C@@H]1C 575550307 352638319 /nfs/dbraw/zinc/63/83/19/352638319.db2.gz SBBVSLAWYVDZJQ-WDEREUQCSA-N 1 0 169.312 2.940 10 0 AFAERO C[C@H]1CCCCC[C@]1([NH3+])C1CC1 575550276 352638344 /nfs/dbraw/zinc/63/83/44/352638344.db2.gz RNUOHTWFICXSSS-GXSJLCMTSA-N 1 0 167.296 2.694 10 0 AFAERO C[C@@H]1CCCC[C@@H]1[C@@]1(C[NH3+])C[C@H]1C 575550406 352638357 /nfs/dbraw/zinc/63/83/57/352638357.db2.gz RNGVVLAIPPKWBW-WISYIIOYSA-N 1 0 181.323 2.798 10 0 AFAERO CC(C)[C@@]1([NH3+])CCCCC[C@@H]1C 575550302 352638359 /nfs/dbraw/zinc/63/83/59/352638359.db2.gz SBBVSLAWYVDZJQ-QWRGUYRKSA-N 1 0 169.312 2.940 10 0 AFAERO C[C@@H]1CCCC[C@@H]1[C@]1([NH3+])CC[C@H]1C 575550424 352638361 /nfs/dbraw/zinc/63/83/61/352638361.db2.gz RWDSNPQAOZZPSK-WYUUTHIRSA-N 1 0 181.323 2.940 10 0 AFAERO CC1CC([NH3+])([C@@H]2CCCC[C@H]2C)C1 575550688 352638809 /nfs/dbraw/zinc/63/88/09/352638809.db2.gz UFTGHAVRYPSYGV-BFUDSRACSA-N 1 0 181.323 2.940 10 0 AFAERO C[C@@H]1CCCCC1=C1CC([NH3+])C1 575550822 352639375 /nfs/dbraw/zinc/63/93/75/352639375.db2.gz UXSAKPVXXVXUHN-HNHGDDPOSA-N 1 0 165.280 2.614 10 0 AFAERO CC1CC([NH3+])([C@H]2CCCC[C@@H]2C)C1 575550694 352639461 /nfs/dbraw/zinc/63/94/61/352639461.db2.gz UFTGHAVRYPSYGV-YECOWLKZSA-N 1 0 181.323 2.940 10 0 AFAERO C[C@H]1CCCCC1=C1CC([NH3+])C1 575550825 352639479 /nfs/dbraw/zinc/63/94/79/352639479.db2.gz UXSAKPVXXVXUHN-PEHGTWAWSA-N 1 0 165.280 2.614 10 0 AFAERO CC1CC([NH3+])([C@@H]2CCCC[C@@H]2C)C1 575550691 352639689 /nfs/dbraw/zinc/63/96/89/352639689.db2.gz UFTGHAVRYPSYGV-LVFLEHKBSA-N 1 0 181.323 2.940 10 0 AFAERO CC1CC([NH3+])([C@H]2CCCC[C@H]2C)C1 575550693 352639714 /nfs/dbraw/zinc/63/97/14/352639714.db2.gz UFTGHAVRYPSYGV-UPOSSJBDSA-N 1 0 181.323 2.940 10 0 AFAERO C[C@@H]1CCCC[C@H]1[C@@]1(C)CCC[NH2+]1 575550878 352639930 /nfs/dbraw/zinc/63/99/30/352639930.db2.gz VOYAHUYUEINKKP-IJLUTSLNSA-N 1 0 181.323 2.955 10 0 AFAERO C[C@@H]1CCCC[C@@H]1[C@@H]1CC[C@H]1[NH3+] 575550886 352639942 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VTNMUJLBMUFFFK-LMLFDSFASA-N 1 0 167.296 2.550 10 0 AFAERO C[C@@H]1CCCC[C@@H]1[C@@H]1CCC[C@H]1[NH3+] 575551228 352640656 /nfs/dbraw/zinc/64/06/56/352640656.db2.gz WNPKUWARMUVVRE-NOOOWODRSA-N 1 0 181.323 2.940 10 0 AFAERO C[C@@H]1CCCC[C@@H]1[C@H]1CCC[C@H]1[NH3+] 575551234 352640666 /nfs/dbraw/zinc/64/06/66/352640666.db2.gz WNPKUWARMUVVRE-WRWGMCAJSA-N 1 0 181.323 2.940 10 0 AFAERO C[C@@H]1CCCC[C@@H]1[C@H]1CC[C@@H]1C[NH3+] 575551249 352640674 /nfs/dbraw/zinc/64/06/74/352640674.db2.gz WUHCWPYCYUYSJV-WYUUTHIRSA-N 1 0 181.323 2.798 10 0 AFAERO C[C@@H]1CCCC[C@@H]1[C@H]1CCC[C@@H]1[NH3+] 575551227 352640716 /nfs/dbraw/zinc/64/07/16/352640716.db2.gz WNPKUWARMUVVRE-KXNHARMFSA-N 1 0 181.323 2.940 10 0 AFAERO C[C@@H]1CCCC[C@@H]1[C@@H]1CC[C@H]1C[NH3+] 575551241 352640739 /nfs/dbraw/zinc/64/07/39/352640739.db2.gz WUHCWPYCYUYSJV-NOOOWODRSA-N 1 0 181.323 2.798 10 0 AFAERO C[C@@H]1CCCC[C@@H]1[C@H]1CC[C@H]1C[NH3+] 575551244 352640808 /nfs/dbraw/zinc/64/08/08/352640808.db2.gz WUHCWPYCYUYSJV-RHYQMDGZSA-N 1 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CC[C@H](C)C[C@@]1([NH3+])CC[C@H]1C 575558784 352669832 /nfs/dbraw/zinc/66/98/32/352669832.db2.gz YNPMDXKANROAAP-AEJSXWLSSA-N 1 0 155.285 2.550 10 0 AFAERO CC[C@H](C)C[C@]1([NH3+])CC[C@H]1C 575558793 352669837 /nfs/dbraw/zinc/66/98/37/352669837.db2.gz YNPMDXKANROAAP-IVZWLZJFSA-N 1 0 155.285 2.550 10 0 AFAERO CC[C@H](C)C[C@]1([NH3+])CC[C@@H]1C 575558795 352669840 /nfs/dbraw/zinc/66/98/40/352669840.db2.gz YNPMDXKANROAAP-LPEHRKFASA-N 1 0 155.285 2.550 10 0 AFAERO C[C@H]1[C@H](C)C[C@]1([NH3+])c1ccsc1 575558718 352669887 /nfs/dbraw/zinc/66/98/87/352669887.db2.gz CYAJUJPMHCZWIZ-KHQFGBGNSA-N 1 0 181.304 2.578 10 0 AFAERO C[C@@H]1CCCC[C@H]1[C@@H]([NH3+])C(C)(F)F 575558828 352669965 /nfs/dbraw/zinc/66/99/65/352669965.db2.gz SVBJXYMSWIMRJX-IWSPIJDZSA-N 1 0 191.265 2.795 10 0 AFAERO C[C@@H]1CCCC[C@@H]1[C@@H]([NH3+])C(C)(F)F 575558824 352669994 /nfs/dbraw/zinc/66/99/94/352669994.db2.gz SVBJXYMSWIMRJX-HRDYMLBCSA-N 1 0 191.265 2.795 10 0 AFAERO Cc1ccc([C@]2([NH3+])CC[C@@H]2C)s1 575558918 352670050 /nfs/dbraw/zinc/67/00/50/352670050.db2.gz ZMUUMIYYYUCEOE-XVKPBYJWSA-N 1 0 181.304 2.640 10 0 AFAERO C[C@@H]1CCCC[C@@H]1[C@H]([NH3+])C(C)(F)F 575558831 352670205 /nfs/dbraw/zinc/67/02/05/352670205.db2.gz SVBJXYMSWIMRJX-VGMNWLOBSA-N 1 0 191.265 2.795 10 0 AFAERO Cc1ccc([C@@]2([NH3+])CC[C@H]2C)s1 575558907 352670229 /nfs/dbraw/zinc/67/02/29/352670229.db2.gz ZMUUMIYYYUCEOE-GMSGAONNSA-N 1 0 181.304 2.640 10 0 AFAERO Cc1ccc([C@@]2([NH3+])CC[C@@H]2C)s1 575558911 352670346 /nfs/dbraw/zinc/67/03/46/352670346.db2.gz ZMUUMIYYYUCEOE-OIBJUYFYSA-N 1 0 181.304 2.640 10 0 AFAERO Cc1ccc([C@]2([NH3+])CC[C@H]2C)s1 575558916 352670370 /nfs/dbraw/zinc/67/03/70/352670370.db2.gz ZMUUMIYYYUCEOE-XCBNKYQSSA-N 1 0 181.304 2.640 10 0 AFAERO C[C@@H]1CCCC[C@H]1[C@H]([NH3+])C(C)(F)F 575558820 352670408 /nfs/dbraw/zinc/67/04/08/352670408.db2.gz SVBJXYMSWIMRJX-HLTSFMKQSA-N 1 0 191.265 2.795 10 0 AFAERO CC1(C)C[C@]1([NH3+])C[C@@H]1C[C@H]2C[C@H]2C1 575559080 352670679 /nfs/dbraw/zinc/67/06/79/352670679.db2.gz FTRPDQGYLRAPCR-DTHBNOIPSA-N 1 0 179.307 2.550 10 0 AFAERO CC1(C)C[C@@]1([NH3+])C[C@@H]1C[C@H]2C[C@H]2C1 575559087 352670708 /nfs/dbraw/zinc/67/07/08/352670708.db2.gz FTRPDQGYLRAPCR-WYFGTUCQSA-N 1 0 179.307 2.550 10 0 AFAERO C[C@@H]1CCCC[C@@H]1[C@@](C)(F)[C@@H](C)[NH3+] 575559003 352670747 /nfs/dbraw/zinc/67/07/47/352670747.db2.gz UVBINXXIBMCVMK-ZNSHCXBVSA-N 1 0 187.302 2.888 10 0 AFAERO C[C@@]([NH3+])(c1ccsc1)C1CCC1 575559108 352670819 /nfs/dbraw/zinc/67/08/19/352670819.db2.gz FNZBFGQYMVJFAO-JTQLQIEISA-N 1 0 181.304 2.722 10 0 AFAERO C[C@H]([NH3+])[C@](C)(F)[C@H]1CCCC[C@H]1C 575558987 352670843 /nfs/dbraw/zinc/67/08/43/352670843.db2.gz UVBINXXIBMCVMK-RCWTZXSCSA-N 1 0 187.302 2.888 10 0 AFAERO C[C@]([NH3+])(c1ccsc1)C1CCC1 575559110 352670885 /nfs/dbraw/zinc/67/08/85/352670885.db2.gz FNZBFGQYMVJFAO-SNVBAGLBSA-N 1 0 181.304 2.722 10 0 AFAERO C[C@H]([NH3+])[C@@](C)(F)[C@H]1CCCC[C@H]1C 575559001 352671031 /nfs/dbraw/zinc/67/10/31/352671031.db2.gz UVBINXXIBMCVMK-VPOLOUISSA-N 1 0 187.302 2.888 10 0 AFAERO C[C@H]1SCC[C@]1([NH3+])CC1CCCC1 575559119 352671393 /nfs/dbraw/zinc/67/13/93/352671393.db2.gz FVLIPQWHABJPGS-KOLCDFICSA-N 1 0 199.363 2.790 10 0 AFAERO C[C@H]1SCC[C@@]1([NH3+])CC1CCCC1 575559121 352671405 /nfs/dbraw/zinc/67/14/05/352671405.db2.gz FVLIPQWHABJPGS-MWLCHTKSSA-N 1 0 199.363 2.790 10 0 AFAERO CCC[C@]1([NH3+])CC2CCC1CC2 575559172 352671408 /nfs/dbraw/zinc/67/14/08/352671408.db2.gz GBDWSSFUKOPCGF-ILDUYXDCSA-N 1 0 167.296 2.694 10 0 AFAERO C[C@@H]1SCC[C@]1([NH3+])CC1CCCC1 575559123 352671438 /nfs/dbraw/zinc/67/14/38/352671438.db2.gz FVLIPQWHABJPGS-ONGXEEELSA-N 1 0 199.363 2.790 10 0 AFAERO CCC[C@@]1([NH3+])CC2CCC1CC2 575559173 352671585 /nfs/dbraw/zinc/67/15/85/352671585.db2.gz GBDWSSFUKOPCGF-VQXHTEKXSA-N 1 0 167.296 2.694 10 0 AFAERO C[C@@H]1SCC[C@@]1([NH3+])CC1CCCC1 575559114 352671802 /nfs/dbraw/zinc/67/18/02/352671802.db2.gz FVLIPQWHABJPGS-GXSJLCMTSA-N 1 0 199.363 2.790 10 0 AFAERO Cc1ccsc1[C@]1([NH3+])C[C@H](C)[C@H]1C 575559550 352673055 /nfs/dbraw/zinc/67/30/55/352673055.db2.gz IDSIIZZIQUGJRQ-NGZCFLSTSA-N 1 0 195.331 2.886 10 0 AFAERO C[C@H]1[C@H](C)C[C@@]1([NH3+])CC1CCCC1 575559497 352672943 /nfs/dbraw/zinc/67/29/43/352672943.db2.gz HBLAEHUORJJAMD-JFGNBEQYSA-N 1 0 181.323 2.940 10 0 AFAERO CC1(C)C[C@]1([NH3+])CC=C(Cl)Cl 575559489 352672978 /nfs/dbraw/zinc/67/29/78/352672978.db2.gz GTACYKPSTILMPD-MRVPVSSYSA-N 1 0 194.105 2.823 10 0 AFAERO Cc1ccsc1[C@]1([NH3+])C[C@@H](C)[C@@H]1C 575559553 352672996 /nfs/dbraw/zinc/67/29/96/352672996.db2.gz IDSIIZZIQUGJRQ-YWVKMMECSA-N 1 0 195.331 2.886 10 0 AFAERO C[C@@H]1C[C@]([NH3+])(CC2CCCC2)[C@@H]1C 575559496 352673013 /nfs/dbraw/zinc/67/30/13/352673013.db2.gz HBLAEHUORJJAMD-FOGDFJRCSA-N 1 0 181.323 2.940 10 0 AFAERO CC1(C)CC[C@]1([NH3+])c1cccs1 575559566 352673030 /nfs/dbraw/zinc/67/30/30/352673030.db2.gz IKEPHFIPGAVJDZ-JTQLQIEISA-N 1 0 181.304 2.722 10 0 AFAERO CC1(C)CC[C@@]1([NH3+])c1cccs1 575559567 352673043 /nfs/dbraw/zinc/67/30/43/352673043.db2.gz IKEPHFIPGAVJDZ-SNVBAGLBSA-N 1 0 181.304 2.722 10 0 AFAERO C[C@@H]1C[C@@]([NH3+])(CC2CCCC2)[C@@H]1C 575559494 352673082 /nfs/dbraw/zinc/67/30/82/352673082.db2.gz HBLAEHUORJJAMD-CKYFFXLPSA-N 1 0 181.323 2.940 10 0 AFAERO CC1(C)C[C@@]1([NH3+])CC=C(Cl)Cl 575559490 352673106 /nfs/dbraw/zinc/67/31/06/352673106.db2.gz GTACYKPSTILMPD-QMMMGPOBSA-N 1 0 194.105 2.823 10 0 AFAERO Cc1ccsc1[C@]1([NH3+])C[C@@H](C)[C@H]1C 575559549 352673112 /nfs/dbraw/zinc/67/31/12/352673112.db2.gz IDSIIZZIQUGJRQ-KKZNHRDASA-N 1 0 195.331 2.886 10 0 AFAERO C[C@H]1[C@H](C)C[C@]1([NH3+])CC1CCCC1 575559498 352673137 /nfs/dbraw/zinc/67/31/37/352673137.db2.gz HBLAEHUORJJAMD-SCVCMEIPSA-N 1 0 181.323 2.940 10 0 AFAERO Cc1ccsc1[C@]1([NH3+])C[C@H](C)[C@@H]1C 575559551 352673152 /nfs/dbraw/zinc/67/31/52/352673152.db2.gz IDSIIZZIQUGJRQ-QXEWZRGKSA-N 1 0 195.331 2.886 10 0 AFAERO C[C@H]1[C@H](C)C[C@]1([NH3+])C1CCCCC1 575559592 352673537 /nfs/dbraw/zinc/67/35/37/352673537.db2.gz IOCQAEAFKKQPCN-JFGNBEQYSA-N 1 0 181.323 2.940 10 0 AFAERO C/C=C/[C@@H]([NH3+])c1cscc1C 575559737 352673572 /nfs/dbraw/zinc/67/35/72/352673572.db2.gz XLSSTDXGCZQKDW-CDAZIORVSA-N 1 0 167.277 2.632 10 0 AFAERO C[C@@H]1C[C@]([NH3+])(C2CCCCC2)[C@@H]1C 575559590 352673596 /nfs/dbraw/zinc/67/35/96/352673596.db2.gz IOCQAEAFKKQPCN-CKYFFXLPSA-N 1 0 181.323 2.940 10 0 AFAERO C[C@H]1[C@H](C)C[C@@]1([NH3+])C1CCCCC1 575559593 352673629 /nfs/dbraw/zinc/67/36/29/352673629.db2.gz IOCQAEAFKKQPCN-SCVCMEIPSA-N 1 0 181.323 2.940 10 0 AFAERO C/C=C/[C@H]([NH3+])c1cscc1C 575559738 352673698 /nfs/dbraw/zinc/67/36/98/352673698.db2.gz XLSSTDXGCZQKDW-NWALNABHSA-N 1 0 167.277 2.632 10 0 AFAERO C[C@@H]1C[C@@]([NH3+])(C2CCCCC2)[C@@H]1C 575559591 352673902 /nfs/dbraw/zinc/67/39/02/352673902.db2.gz IOCQAEAFKKQPCN-FOGDFJRCSA-N 1 0 181.323 2.940 10 0 AFAERO C/C=C/[C@H]([NH3+])c1ccc(C)cc1 575560145 352674820 /nfs/dbraw/zinc/67/48/20/352674820.db2.gz SHYHZVSPIXJUFO-UFFNRZRYSA-N 1 0 161.248 2.571 10 0 AFAERO C/C=C/[C@@H]([NH3+])c1ccc(C)cc1 575560142 352674948 /nfs/dbraw/zinc/67/49/48/352674948.db2.gz SHYHZVSPIXJUFO-PGLGOXFNSA-N 1 0 161.248 2.571 10 0 AFAERO [NH3+][C@@]1(C2CC2)CCC12CCCCC2 575560041 352675250 /nfs/dbraw/zinc/67/52/50/352675250.db2.gz GJBCJLWDEJRNII-GFCCVEGCSA-N 1 0 179.307 2.838 10 0 AFAERO [NH3+][C@]1(C2CC2)CCC12CCCCC2 575560050 352675357 /nfs/dbraw/zinc/67/53/57/352675357.db2.gz GJBCJLWDEJRNII-LBPRGKRZSA-N 1 0 179.307 2.838 10 0 AFAERO CC1(C)CC[C@@]1([NH3+])c1ccccc1 575560199 352675667 /nfs/dbraw/zinc/67/56/67/352675667.db2.gz JEOFLKAQYXKSFN-GFCCVEGCSA-N 1 0 175.275 2.661 10 0 AFAERO CCCCC1([NH3+])CC(C)(C)C1 575560291 352675695 /nfs/dbraw/zinc/67/56/95/352675695.db2.gz JTXDKTJBTAMBMN-UHFFFAOYSA-N 1 0 155.285 2.694 10 0 AFAERO CC1(C)CC[C@]1([NH3+])c1ccccc1 575560202 352675743 /nfs/dbraw/zinc/67/57/43/352675743.db2.gz JEOFLKAQYXKSFN-LBPRGKRZSA-N 1 0 175.275 2.661 10 0 AFAERO CC1(C)CC[C@]1([NH3+])Cc1cccs1 575560271 352675827 /nfs/dbraw/zinc/67/58/27/352675827.db2.gz JTHWJCGBDQUQKX-NSHDSACASA-N 1 0 195.331 2.808 10 0 AFAERO CC1(C)CC[C@@]1([NH3+])Cc1cccs1 575560269 352675993 /nfs/dbraw/zinc/67/59/93/352675993.db2.gz JTHWJCGBDQUQKX-LLVKDONJSA-N 1 0 195.331 2.808 10 0 AFAERO CCCC[C@]1([NH3+])CCC1(C)C 575560432 352676570 /nfs/dbraw/zinc/67/65/70/352676570.db2.gz KLMVTECVQLXASU-JTQLQIEISA-N 1 0 155.285 2.694 10 0 AFAERO CCCC[C@@]1([NH3+])CCC1(C)C 575560434 352676587 /nfs/dbraw/zinc/67/65/87/352676587.db2.gz KLMVTECVQLXASU-SNVBAGLBSA-N 1 0 155.285 2.694 10 0 AFAERO C[C@@H]1C[C@@]([NH3+])(c2cccs2)[C@@H]1C 575560383 352676645 /nfs/dbraw/zinc/67/66/45/352676645.db2.gz KHAHFXRMHMWAMK-MRTMQBJTSA-N 1 0 181.304 2.578 10 0 AFAERO C[C@H]1[C@H](C)C[C@@]1([NH3+])c1cccs1 575560390 352676717 /nfs/dbraw/zinc/67/67/17/352676717.db2.gz KHAHFXRMHMWAMK-WEDXCCLWSA-N 1 0 181.304 2.578 10 0 AFAERO C[C@H]1[C@H](C)C[C@]1([NH3+])c1cccs1 575560369 352676746 /nfs/dbraw/zinc/67/67/46/352676746.db2.gz KHAHFXRMHMWAMK-KHQFGBGNSA-N 1 0 181.304 2.578 10 0 AFAERO C[C@@H]1C[C@]([NH3+])(c2cccs2)[C@@H]1C 575560386 352676777 /nfs/dbraw/zinc/67/67/77/352676777.db2.gz KHAHFXRMHMWAMK-NQMVMOMDSA-N 1 0 181.304 2.578 10 0 AFAERO CC[C@H](C)[C@@]1([NH3+])CC2CCC1CC2 575560546 352677138 /nfs/dbraw/zinc/67/71/38/352677138.db2.gz JQILDONJHKZLEU-XKGSQUFQSA-N 1 0 181.323 2.940 10 0 AFAERO CC(C)[C@@]1([NH3+])CSCCC1(C)C 575560579 352677120 /nfs/dbraw/zinc/67/71/20/352677120.db2.gz KGGTUDVCSFOMMI-JTQLQIEISA-N 1 0 187.352 2.503 10 0 AFAERO CC(C)[C@]1([NH3+])CSCCC1(C)C 575560580 352677125 /nfs/dbraw/zinc/67/71/25/352677125.db2.gz KGGTUDVCSFOMMI-SNVBAGLBSA-N 1 0 187.352 2.503 10 0 AFAERO CC[C@@H](C)[C@]1([NH3+])CC2CCC1CC2 575560544 352677127 /nfs/dbraw/zinc/67/71/27/352677127.db2.gz JQILDONJHKZLEU-HBIQZDMRSA-N 1 0 181.323 2.940 10 0 AFAERO CC[C@H](C)[C@]1([NH3+])CC2CCC1CC2 575560545 352677214 /nfs/dbraw/zinc/67/72/14/352677214.db2.gz JQILDONJHKZLEU-WNYYMSAVSA-N 1 0 181.323 2.940 10 0 AFAERO CC[C@@]1([NH3+])CCC12CCCCC2 575560552 352677320 /nfs/dbraw/zinc/67/73/20/352677320.db2.gz JSWXVBHKEUZSRQ-LLVKDONJSA-N 1 0 167.296 2.838 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/nfs/dbraw/zinc/69/01/89/352690189.db2.gz KWDIYYBAEOEXCY-XCRNYIDWSA-N 1 0 181.666 2.916 10 0 AFAERO C/C=C/[C@H]([NH3+])c1cccc(Cl)c1 575563402 352690270 /nfs/dbraw/zinc/69/02/70/352690270.db2.gz KWDIYYBAEOEXCY-YWNRKNDBSA-N 1 0 181.666 2.916 10 0 AFAERO C/C=C/[C@@]1(C2CC2)CCCCC[NH2+]1 575563516 352690882 /nfs/dbraw/zinc/69/08/82/352690882.db2.gz OKEAOVNBIXKVAF-NKWNXKNASA-N 1 0 179.307 2.875 10 0 AFAERO C/C=C/[C@@H]([NH3+])[C@@H]1CCCC(F)(F)C1 575563465 352690716 /nfs/dbraw/zinc/69/07/16/352690716.db2.gz MDPXAFBGBZWJAT-HBMQMAGWSA-N 1 0 189.249 2.715 10 0 AFAERO C/C=C/[C@H]([NH3+])c1cc(F)cc(F)c1 575563438 352690758 /nfs/dbraw/zinc/69/07/58/352690758.db2.gz LNHCFSSOATYKRQ-PBKGFPTLSA-N 1 0 183.201 2.541 10 0 AFAERO C/C=C/[C@@H]([NH3+])c1cc(F)cc(F)c1 575563440 352690810 /nfs/dbraw/zinc/69/08/10/352690810.db2.gz LNHCFSSOATYKRQ-VMZHVLLKSA-N 1 0 183.201 2.541 10 0 AFAERO CC1(C)C[C@@]1(C)[C@H]1CCCCC[NH2+]1 575563437 352690865 /nfs/dbraw/zinc/69/08/65/352690865.db2.gz KZIIBUFSRJWJQI-PWSUYJOCSA-N 1 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352691021 /nfs/dbraw/zinc/69/10/21/352691021.db2.gz NEFFHIKKABPQHD-SNVBAGLBSA-N 1 0 197.347 2.580 10 0 AFAERO C/C=C/[C@]1(C2CC2)CCCCC[NH2+]1 575563518 352691024 /nfs/dbraw/zinc/69/10/24/352691024.db2.gz OKEAOVNBIXKVAF-SXSAUCFISA-N 1 0 179.307 2.875 10 0 AFAERO CC1(C)C[C@@]1(C)[C@@H]1CCCCC[NH2+]1 575563435 352691035 /nfs/dbraw/zinc/69/10/35/352691035.db2.gz KZIIBUFSRJWJQI-JQWIXIFHSA-N 1 0 181.323 2.955 10 0 AFAERO CC1(C)C[C@]1(C)[C@H]1CCCCC[NH2+]1 575563439 352691054 /nfs/dbraw/zinc/69/10/54/352691054.db2.gz KZIIBUFSRJWJQI-ZYHUDNBSSA-N 1 0 181.323 2.955 10 0 AFAERO C/C=C/[C@H]([NH3+])[C@H]1CCCC[C@@H]1C 575563659 352691313 /nfs/dbraw/zinc/69/13/13/352691313.db2.gz RJKZBTNSRJLRDC-WDBHPTQUSA-N 1 0 167.296 2.716 10 0 AFAERO C/C=C/[C@@H]([NH3+])c1cc(C)cc(F)c1 575563601 352691415 /nfs/dbraw/zinc/69/14/15/352691415.db2.gz POCMICKVYGAICB-PGLGOXFNSA-N 1 0 179.238 2.710 10 0 AFAERO C/C=C/[C@H]([NH3+])[C@@H]1CCCC[C@H]1C 575563653 352691434 /nfs/dbraw/zinc/69/14/34/352691434.db2.gz RJKZBTNSRJLRDC-BCZGSGNNSA-N 1 0 167.296 2.716 10 0 AFAERO C/C=C/[C@H]([NH3+])c1ccc(F)c(F)c1 575563629 352691441 /nfs/dbraw/zinc/69/14/41/352691441.db2.gz QUAGTSSWVMSVGH-PBKGFPTLSA-N 1 0 183.201 2.541 10 0 AFAERO C/C=C/[C@H]([NH3+])c1cc(C)cc(F)c1 575563602 352691501 /nfs/dbraw/zinc/69/15/01/352691501.db2.gz POCMICKVYGAICB-UFFNRZRYSA-N 1 0 179.238 2.710 10 0 AFAERO C/C=C/[C@]1(CC)CCCCC[NH2+]1 575563600 352691628 /nfs/dbraw/zinc/69/16/28/352691628.db2.gz PKALHZUEFSBIEB-TXGYYHNKSA-N 1 0 167.296 2.875 10 0 AFAERO C/C=C/[C@@]1(CC)CCCCC[NH2+]1 575563599 352691692 /nfs/dbraw/zinc/69/16/92/352691692.db2.gz PKALHZUEFSBIEB-AEBAWRHJSA-N 1 0 167.296 2.875 10 0 AFAERO C/C=C/[C@@H]([NH3+])c1ccc(F)c(F)c1 575563630 352691694 /nfs/dbraw/zinc/69/16/94/352691694.db2.gz QUAGTSSWVMSVGH-VMZHVLLKSA-N 1 0 183.201 2.541 10 0 AFAERO C/C=C/[C@H]([NH3+])[C@@H]1CCCC[C@@H]1C 575563656 352691813 /nfs/dbraw/zinc/69/18/13/352691813.db2.gz RJKZBTNSRJLRDC-SHJRHDGBSA-N 1 0 167.296 2.716 10 0 AFAERO 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352762959 /nfs/dbraw/zinc/76/29/59/352762959.db2.gz DYFMRASNIXJPJS-SNVBAGLBSA-N 1 0 198.335 2.672 10 0 AFAERO C[C@@H]1CCCC[C@@H]1[C@H]([NH3+])C1CSC1 575577670 352762967 /nfs/dbraw/zinc/76/29/67/352762967.db2.gz QTQLAVWQOWVDJM-DVVUODLYSA-N 1 0 199.363 2.503 10 0 AFAERO C[C@H]1C[C@]1(C)[NH2+]Cc1ccccc1 575577698 352762984 /nfs/dbraw/zinc/76/29/84/352762984.db2.gz QGUQAIPDEPGCAG-JQWIXIFHSA-N 1 0 175.275 2.575 10 0 AFAERO C[C@H]1C[C@@]1(C)[NH2+]Cc1ccccc1 575577684 352763067 /nfs/dbraw/zinc/76/30/67/352763067.db2.gz QGUQAIPDEPGCAG-CMPLNLGQSA-N 1 0 175.275 2.575 10 0 AFAERO C[C@@H]1C[C@@]1(C)[NH2+]Cc1ccccc1 575577707 352763076 /nfs/dbraw/zinc/76/30/76/352763076.db2.gz QGUQAIPDEPGCAG-ZYHUDNBSSA-N 1 0 175.275 2.575 10 0 AFAERO C[C@@H]1C[C@]1(C)[NH2+]Cc1ccccc1 575577704 352763197 /nfs/dbraw/zinc/76/31/97/352763197.db2.gz QGUQAIPDEPGCAG-PWSUYJOCSA-N 1 0 175.275 2.575 10 0 AFAERO C[C@@H]1CCCC[C@@H]1[C@@H]([NH3+])C1CSC1 575577830 352763844 /nfs/dbraw/zinc/76/38/44/352763844.db2.gz 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C[C@H]1CC[N@H+](CC2=CCCC2)C[C@H]1F 645847804 371969266 /nfs/dbraw/zinc/96/92/66/371969266.db2.gz HEDMPDKQIVWYHQ-CMPLNLGQSA-N 1 0 197.297 2.777 10 0 AFAERO C1=C(C[N@@H+]2CC[C@H](C3CC3)C2)CCC1 645842633 371969301 /nfs/dbraw/zinc/96/93/01/371969301.db2.gz FCNRFYYCWGSRCS-ZDUSSCGKSA-N 1 0 191.318 2.829 10 0 AFAERO CC1=C[C@@H](C)C[N@H+](CC2=CCCC2)C1 645897003 371970483 /nfs/dbraw/zinc/97/04/83/371970483.db2.gz ORAGWRLOEFIYKU-LLVKDONJSA-N 1 0 191.318 2.995 10 0 AFAERO C[C@H]1C[C@@H](C)[N@@H+]1CC1=CCCC1 645895341 371970550 /nfs/dbraw/zinc/97/05/50/371970550.db2.gz LOCQTSCLRRRYDH-AOOOYVTPSA-N 1 0 165.280 2.579 10 0 AFAERO C[C@@H]1C[C@@H](C)[NH+]1CC1=CCCC1 645895342 371970828 /nfs/dbraw/zinc/97/08/28/371970828.db2.gz LOCQTSCLRRRYDH-NXEZZACHSA-N 1 0 165.280 2.579 10 0 AFAERO CC1=C[C@H](C)C[N@H+](CC2=CCCC2)C1 645897004 371970913 /nfs/dbraw/zinc/97/09/13/371970913.db2.gz ORAGWRLOEFIYKU-NSHDSACASA-N 1 0 191.318 2.995 10 0 AFAERO CC1=CCC[N@H+](CC2=CCCC2)C1 645896796 371971318 /nfs/dbraw/zinc/97/13/18/371971318.db2.gz ADECDWZPMWCEQJ-UHFFFAOYSA-N 1 0 177.291 2.749 10 0 AFAERO C[C@H]1C[C@H](C)[NH+]1CC1=CCCC1 645895343 371971320 /nfs/dbraw/zinc/97/13/20/371971320.db2.gz LOCQTSCLRRRYDH-UWVGGRQHSA-N 1 0 165.280 2.579 10 0 AFAERO CCC[C@H](C)[N@@H+]1CC[C@@H](OC(C)C)C1 645944594 371971523 /nfs/dbraw/zinc/97/15/23/371971523.db2.gz HTWPRZFSZYFOQR-NWDGAFQWSA-N 1 0 199.338 2.674 10 0 AFAERO CC(C)CC[N@@H+]1CC[C@@H](OC(C)C)C1 645945410 371972185 /nfs/dbraw/zinc/97/21/85/371972185.db2.gz FYWXWKLERFYOBN-GFCCVEGCSA-N 1 0 199.338 2.532 10 0 AFAERO CCC[C@@H](C)[N@@H+]1CC[C@@H](OC(C)C)C1 645944595 371972770 /nfs/dbraw/zinc/97/27/70/371972770.db2.gz HTWPRZFSZYFOQR-VXGBXAGGSA-N 1 0 199.338 2.674 10 0 AFAERO CCCCC[N@@H+]1CC[C@@H](OC(C)C)C1 645944576 371973106 /nfs/dbraw/zinc/97/31/06/371973106.db2.gz FVBMTPSMWUJGSB-GFCCVEGCSA-N 1 0 199.338 2.676 10 0 AFAERO CCC[NH2+]C1(c2ccccc2C)CC1 645979407 371974659 /nfs/dbraw/zinc/97/46/59/371974659.db2.gz DYINQNLFPVHEGJ-UHFFFAOYSA-N 1 0 189.302 2.984 10 0 AFAERO CC[NH2+][C@H]1CCCC[C@@H]1C1CC1 70635172 375335875 /nfs/dbraw/zinc/33/58/75/375335875.db2.gz AIFCFAAFKLJANP-MNOVXSKESA-N 1 0 167.296 2.565 10 0 AFAERO CC[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 70640675 375335924 /nfs/dbraw/zinc/33/59/24/375335924.db2.gz OQGNBUCNQQAKHZ-OLZOCXBDSA-N 1 0 189.302 2.932 10 0 AFAERO CC[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 70640673 375336134 /nfs/dbraw/zinc/33/61/34/375336134.db2.gz OQGNBUCNQQAKHZ-CHWSQXEVSA-N 1 0 189.302 2.932 10 0 AFAERO CC[NH2+][C@H]1CCCC[C@H]1C1CC1 70635176 375336382 /nfs/dbraw/zinc/33/63/82/375336382.db2.gz AIFCFAAFKLJANP-QWRGUYRKSA-N 1 0 167.296 2.565 10 0 AFAERO C[C@H]1CCC[C@@H]1[NH2+]Cc1ccoc1 70828924 375338024 /nfs/dbraw/zinc/33/80/24/375338024.db2.gz LXFKWUQEUSTWDX-ONGXEEELSA-N 1 0 179.263 2.558 10 0 AFAERO C[C@H]1CCC[C@H]1[NH2+]Cc1ccoc1 70828933 375338196 /nfs/dbraw/zinc/33/81/96/375338196.db2.gz LXFKWUQEUSTWDX-GXSJLCMTSA-N 1 0 179.263 2.558 10 0 AFAERO C[C@@H]1CCC[C@H]1[NH2+]Cc1ccoc1 70828929 375338241 /nfs/dbraw/zinc/33/82/41/375338241.db2.gz LXFKWUQEUSTWDX-MWLCHTKSSA-N 1 0 179.263 2.558 10 0 AFAERO C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccoc1 70828922 375338396 /nfs/dbraw/zinc/33/83/96/375338396.db2.gz LXFKWUQEUSTWDX-KOLCDFICSA-N 1 0 179.263 2.558 10 0 AFAERO C[C@@H]([NH2+][C@@H]1CC1(C)C)c1nccs1 83143255 375375543 /nfs/dbraw/zinc/37/55/43/375375543.db2.gz XCEIOZNGNNYFAC-HTQZYQBOSA-N 1 0 196.319 2.592 10 0 AFAERO C[C@@H]([NH2+][C@H]1CC1(C)C)c1nccs1 83143261 375376174 /nfs/dbraw/zinc/37/61/74/375376174.db2.gz XCEIOZNGNNYFAC-SFYZADRCSA-N 1 0 196.319 2.592 10 0 AFAERO C[C@H]([NH2+][C@H]1CC1(C)C)c1nccs1 83143260 375376333 /nfs/dbraw/zinc/37/63/33/375376333.db2.gz XCEIOZNGNNYFAC-YUMQZZPRSA-N 1 0 196.319 2.592 10 0 AFAERO Cc1cc(C[NH2+]C(C)(C)C)cs1 83452295 375377505 /nfs/dbraw/zinc/37/75/05/375377505.db2.gz ISLCEVUEXYBNGL-UHFFFAOYSA-N 1 0 183.320 2.945 10 0 AFAERO CC(C)[NH2+]C[C@H]1CCc2ccccc21 83823949 375381366 /nfs/dbraw/zinc/38/13/66/375381366.db2.gz DMRFTJLJJMYNKS-GFCCVEGCSA-N 1 0 189.302 2.714 10 0 AFAERO CC[NH2+]Cc1cc2cc(F)ccc2o1 83820201 375381516 /nfs/dbraw/zinc/38/15/16/375381516.db2.gz IDJPSUFWQPEJFV-UHFFFAOYSA-N 1 0 193.221 2.681 10 0 AFAERO C1=CC[C@@H]([NH2+][C@@H]2CCCSC2)CC1 84067036 375386935 /nfs/dbraw/zinc/38/69/35/375386935.db2.gz GAGBDXGDLAKHPG-GHMZBOCLSA-N 1 0 197.347 2.580 10 0 AFAERO C[C@@H]1CC[C@@H]([NH3+])[C@H](C2CCC2)C1 161661305 375397638 /nfs/dbraw/zinc/39/76/38/375397638.db2.gz QEYKXEOPKIJTCZ-DVVUODLYSA-N 1 0 167.296 2.550 10 0 AFAERO CC[C@@H]1CC[C@@H]([NH3+])[C@H](C2CCC2)C1 161661736 375397660 /nfs/dbraw/zinc/39/76/60/375397660.db2.gz PHJACVFBRFIFRO-ADEWGFFLSA-N 1 0 181.323 2.940 10 0 AFAERO CC[C@@H]1CC[C@H]([NH3+])[C@H](C2CCC2)C1 161661574 375397701 /nfs/dbraw/zinc/39/77/01/375397701.db2.gz PHJACVFBRFIFRO-USWWRNFRSA-N 1 0 181.323 2.940 10 0 AFAERO C[C@@H]1CC[C@H]([NH3+])[C@H](C2CCC2)C1 161661154 375397842 /nfs/dbraw/zinc/39/78/42/375397842.db2.gz QEYKXEOPKIJTCZ-MIMYLULJSA-N 1 0 167.296 2.550 10 0 AFAERO C/C=C\C[NH2+][C@@H]1CCc2ccccc21 200341369 375405963 /nfs/dbraw/zinc/40/59/63/375405963.db2.gz GVPUTBHMRSEMEH-XQJDBVBESA-N 1 0 187.286 2.840 10 0 AFAERO C/C=C\C[NH2+][C@H]1CCc2ccccc21 200341403 375405976 /nfs/dbraw/zinc/40/59/76/375405976.db2.gz GVPUTBHMRSEMEH-ZRMMWKCHSA-N 1 0 187.286 2.840 10 0 AFAERO CC(C)(C)C(C)(C)[NH2+]CC1CC1 201161566 375407281 /nfs/dbraw/zinc/40/72/81/375407281.db2.gz XGSVNHKBQAOYNG-UHFFFAOYSA-N 1 0 169.312 2.811 10 0 AFAERO COCC[N@@H+]1CCC[C@@H]1CC(C)(C)C 201940741 375408724 /nfs/dbraw/zinc/40/87/24/375408724.db2.gz YSUDVPQAMJACAG-LLVKDONJSA-N 1 0 199.338 2.533 10 0 AFAERO COCC[N@@H+]1CCC[C@H]1CC(C)(C)C 201940713 375408798 /nfs/dbraw/zinc/40/87/98/375408798.db2.gz YSUDVPQAMJACAG-NSHDSACASA-N 1 0 199.338 2.533 10 0 AFAERO C[C@@H]1CCC[C@@H](CC(C)(C)[NH3+])C1 238407434 375427759 /nfs/dbraw/zinc/42/77/59/375427759.db2.gz KMXPAQVKAATYDK-NXEZZACHSA-N 1 0 169.312 2.940 10 0 AFAERO Cc1ccc(C[NH2+][C@@H]2CC23CC3)s1 335284545 375487917 /nfs/dbraw/zinc/48/79/17/375487917.db2.gz KFCWCJFXIULSLW-SNVBAGLBSA-N 1 0 193.315 2.699 10 0 AFAERO CCc1ccccc1[C@](C)([NH3+])CC 306152803 375439971 /nfs/dbraw/zinc/43/99/71/375439971.db2.gz FCMVHEFAMCLOGJ-GFCCVEGCSA-N 1 0 177.291 2.833 10 0 AFAERO CCc1ccccc1[C@@](C)([NH3+])CC 306152805 375440155 /nfs/dbraw/zinc/44/01/55/375440155.db2.gz FCMVHEFAMCLOGJ-LBPRGKRZSA-N 1 0 177.291 2.833 10 0 AFAERO CC[C@@H](C)[C@@H]1[NH2+]CC12CCCC2 306155328 375441024 /nfs/dbraw/zinc/44/10/24/375441024.db2.gz ATCSMVVSKGUROZ-ZJUUUORDSA-N 1 0 167.296 2.565 10 0 AFAERO CC[C@H](C)[C@H]1[NH2+]CC12CCCC2 306155324 375441061 /nfs/dbraw/zinc/44/10/61/375441061.db2.gz ATCSMVVSKGUROZ-VHSXEESVSA-N 1 0 167.296 2.565 10 0 AFAERO CC[C@@H](C)[C@H]1[NH2+]CC12CCCC2 306155319 375441070 /nfs/dbraw/zinc/44/10/70/375441070.db2.gz ATCSMVVSKGUROZ-NXEZZACHSA-N 1 0 167.296 2.565 10 0 AFAERO CC[C@H](C)[C@@H]1[NH2+]CC12CCCC2 306155321 375441237 /nfs/dbraw/zinc/44/12/37/375441237.db2.gz ATCSMVVSKGUROZ-UWVGGRQHSA-N 1 0 167.296 2.565 10 0 AFAERO CC(C)[C@@H](C)C1=C[C@H]([NH3+])C[C@H](C)C1 306184429 375441665 /nfs/dbraw/zinc/44/16/65/375441665.db2.gz PIQLKFRYXGBURP-CKYFFXLPSA-N 1 0 181.323 2.962 10 0 AFAERO CC(C)[C@@H](C)C1=C[C@@H]([NH3+])C[C@H](C)C1 306184430 375441761 /nfs/dbraw/zinc/44/17/61/375441761.db2.gz PIQLKFRYXGBURP-FOGDFJRCSA-N 1 0 181.323 2.962 10 0 AFAERO CC(C)[C@H](C)C1=C[C@H]([NH3+])C[C@H](C)C1 306184431 375441810 /nfs/dbraw/zinc/44/18/10/375441810.db2.gz PIQLKFRYXGBURP-JFGNBEQYSA-N 1 0 181.323 2.962 10 0 AFAERO C1CC([NH+]2CCC3(CCC3)CC2)C1 306496829 375449959 /nfs/dbraw/zinc/44/99/59/375449959.db2.gz YONQEURMWLXKOL-UHFFFAOYSA-N 1 0 179.307 2.805 10 0 AFAERO CC[C@H](C1CC1)[N@@H+]1CCC(C)(C)C1 306508001 375450822 /nfs/dbraw/zinc/45/08/22/375450822.db2.gz AGKHHXOHHGKZLY-LLVKDONJSA-N 1 0 181.323 2.907 10 0 AFAERO CC[C@@H](C1CC1)[N@@H+]1CCC(C)(C)C1 306508002 375451185 /nfs/dbraw/zinc/45/11/85/375451185.db2.gz AGKHHXOHHGKZLY-NSHDSACASA-N 1 0 181.323 2.907 10 0 AFAERO CC1CCC([NH2+]C(C)(C)CF)CC1 306512786 375451882 /nfs/dbraw/zinc/45/18/82/375451882.db2.gz QORYFZCAJURKHZ-UHFFFAOYSA-N 1 0 187.302 2.903 10 0 AFAERO CCCC[C@@]1(C)[NH2+]C[C@H](C)S1 306718246 375457735 /nfs/dbraw/zinc/45/77/35/375457735.db2.gz HAXZJDQRNVHZHX-IUCAKERBSA-N 1 0 173.325 2.618 10 0 AFAERO CCCC[C@@]1(C)[NH2+]C[C@@H](C)S1 306718244 375457747 /nfs/dbraw/zinc/45/77/47/375457747.db2.gz HAXZJDQRNVHZHX-BDAKNGLRSA-N 1 0 173.325 2.618 10 0 AFAERO CCCC[C@]1(C)[NH2+]C[C@H](C)S1 306718245 375457860 /nfs/dbraw/zinc/45/78/60/375457860.db2.gz HAXZJDQRNVHZHX-DTWKUNHWSA-N 1 0 173.325 2.618 10 0 AFAERO CCCC[C@]1(C)[NH2+]C[C@@H](C)S1 306718247 375457880 /nfs/dbraw/zinc/45/78/80/375457880.db2.gz HAXZJDQRNVHZHX-RKDXNWHRSA-N 1 0 173.325 2.618 10 0 AFAERO C[C@@H]1CC[C@H]1[NH2+][C@H]1CCC[C@@H]2C[C@H]12 306969713 375462548 /nfs/dbraw/zinc/46/25/48/375462548.db2.gz IQAGKMSPWCNWEG-ZIQFBCGOSA-N 1 0 179.307 2.563 10 0 AFAERO C[C@@H]1CC[C@H]1[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 306969712 375462718 /nfs/dbraw/zinc/46/27/18/375462718.db2.gz IQAGKMSPWCNWEG-RMPHRYRLSA-N 1 0 179.307 2.563 10 0 AFAERO C[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC[C@@H]2C[C@H]12 306969711 375462781 /nfs/dbraw/zinc/46/27/81/375462781.db2.gz IQAGKMSPWCNWEG-GCHJQGSQSA-N 1 0 179.307 2.563 10 0 AFAERO C/C=C/C[NH2+][C@H](C1CCC1)C1CC1 324953429 375480453 /nfs/dbraw/zinc/48/04/53/375480453.db2.gz CCIAFUAFQYFSHG-QAVQXKDTSA-N 1 0 179.307 2.731 10 0 AFAERO C/C=C/C[NH2+][C@@H](C1CCC1)C1CC1 324953428 375480663 /nfs/dbraw/zinc/48/06/63/375480663.db2.gz CCIAFUAFQYFSHG-JDGPPOGSSA-N 1 0 179.307 2.731 10 0 AFAERO C/C=C\C[NH2+][C@H](C1CCC1)C1CC1 324953430 375480672 /nfs/dbraw/zinc/48/06/72/375480672.db2.gz CCIAFUAFQYFSHG-ZZKXABKFSA-N 1 0 179.307 2.731 10 0 AFAERO C/C=C\C[NH2+][C@@H](C1CCC1)C1CC1 324953427 375480776 /nfs/dbraw/zinc/48/07/76/375480776.db2.gz CCIAFUAFQYFSHG-DLGQBQFBSA-N 1 0 179.307 2.731 10 0 AFAERO Cc1ccc([C@@H](C)[NH2+][C@H]2CC23CC3)o1 335280024 375486057 /nfs/dbraw/zinc/48/60/57/375486057.db2.gz QTLJEPSFSMLNFJ-KOLCDFICSA-N 1 0 191.274 2.791 10 0 AFAERO C[C@H]([NH2+][C@H]1CC12CC2)c1ccsc1 335275922 375486086 /nfs/dbraw/zinc/48/60/86/375486086.db2.gz BONVQIYGMTXDDI-WPRPVWTQSA-N 1 0 193.315 2.951 10 0 AFAERO c1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CC12CC2 335275966 375486124 /nfs/dbraw/zinc/48/61/24/375486124.db2.gz CLNIEMUWZPXIOK-OLZOCXBDSA-N 1 0 199.297 2.816 10 0 AFAERO Cc1ccc([C@H](C)[NH2+][C@H]2CC23CC3)o1 335280026 375486340 /nfs/dbraw/zinc/48/63/40/375486340.db2.gz QTLJEPSFSMLNFJ-ONGXEEELSA-N 1 0 191.274 2.791 10 0 AFAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CC23CC3)o1 335280023 375486429 /nfs/dbraw/zinc/48/64/29/375486429.db2.gz QTLJEPSFSMLNFJ-GXSJLCMTSA-N 1 0 191.274 2.791 10 0 AFAERO c1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC12CC2 335275968 375486725 /nfs/dbraw/zinc/48/67/25/375486725.db2.gz CLNIEMUWZPXIOK-QWHCGFSZSA-N 1 0 199.297 2.816 10 0 AFAERO c1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CC12CC2 335275964 375486768 /nfs/dbraw/zinc/48/67/68/375486768.db2.gz CLNIEMUWZPXIOK-CHWSQXEVSA-N 1 0 199.297 2.816 10 0 AFAERO C[C@H]([NH2+][C@H]1CC12CC2)c1ccccc1 335279040 375486860 /nfs/dbraw/zinc/48/68/60/375486860.db2.gz OQAAEEYYGADYKN-JQWIXIFHSA-N 1 0 187.286 2.890 10 0 AFAERO C[C@H]([NH2+][C@@H]1CC12CC2)c1ccsc1 335275920 375486870 /nfs/dbraw/zinc/48/68/70/375486870.db2.gz BONVQIYGMTXDDI-WCBMZHEXSA-N 1 0 193.315 2.951 10 0 AFAERO C[C@H]([NH2+][C@H]1CC12CC2)c1cccs1 335275947 375486913 /nfs/dbraw/zinc/48/69/13/375486913.db2.gz BWRPTUMHYONOMM-WPRPVWTQSA-N 1 0 193.315 2.951 10 0 AFAERO Cc1ccc([C@@H](C)[NH2+][C@@H]2CC23CC3)o1 335280025 375487051 /nfs/dbraw/zinc/48/70/51/375487051.db2.gz QTLJEPSFSMLNFJ-MWLCHTKSSA-N 1 0 191.274 2.791 10 0 AFAERO Cc1cc(C[NH2+][C@H]2CC23CC3)cs1 335282969 375487606 /nfs/dbraw/zinc/48/76/06/375487606.db2.gz XFSIYQJEDSZXAB-JTQLQIEISA-N 1 0 193.315 2.699 10 0 AFAERO Cc1ccsc1C[NH2+][C@@H]1CC12CC2 335285229 375487638 /nfs/dbraw/zinc/48/76/38/375487638.db2.gz QTCSSWHROFLKIP-SNVBAGLBSA-N 1 0 193.315 2.699 10 0 AFAERO Cc1cc(C[NH2+][C@@H]2CC23CC3)cs1 335282970 375487652 /nfs/dbraw/zinc/48/76/52/375487652.db2.gz XFSIYQJEDSZXAB-SNVBAGLBSA-N 1 0 193.315 2.699 10 0 AFAERO Cc1ccc(C[NH2+][C@H]2CC23CC3)cc1 335284116 375487661 /nfs/dbraw/zinc/48/76/61/375487661.db2.gz CDTPGMKTFSHGEZ-LBPRGKRZSA-N 1 0 187.286 2.637 10 0 AFAERO Cc1ccc(C[NH2+][C@@H]2CC23CC3)cc1 335284115 375487778 /nfs/dbraw/zinc/48/77/78/375487778.db2.gz CDTPGMKTFSHGEZ-GFCCVEGCSA-N 1 0 187.286 2.637 10 0 AFAERO Cc1ccc(C[NH2+][C@H]2CC23CC3)s1 335284543 375487855 /nfs/dbraw/zinc/48/78/55/375487855.db2.gz KFCWCJFXIULSLW-JTQLQIEISA-N 1 0 193.315 2.699 10 0 AFAERO Cc1cccc(C[NH2+][C@H]2CC23CC3)c1 335284487 375487951 /nfs/dbraw/zinc/48/79/51/375487951.db2.gz JMJRKRZTLTVNDQ-LBPRGKRZSA-N 1 0 187.286 2.637 10 0 AFAERO Cc1ccsc1C[NH2+][C@H]1CC12CC2 335285228 375488022 /nfs/dbraw/zinc/48/80/22/375488022.db2.gz QTCSSWHROFLKIP-JTQLQIEISA-N 1 0 193.315 2.699 10 0 AFAERO CC1=CC[C@H]([NH2+][C@H]2CC23CC3)CC1 335548413 375489107 /nfs/dbraw/zinc/48/91/07/375489107.db2.gz ATFZPLORUPKNRF-QWRGUYRKSA-N 1 0 177.291 2.627 10 0 AFAERO CC1=CC[C@@H]([NH2+][C@@H]2CC23CC3)CC1 335548406 375489121 /nfs/dbraw/zinc/48/91/21/375489121.db2.gz ATFZPLORUPKNRF-GHMZBOCLSA-N 1 0 177.291 2.627 10 0 AFAERO CC1=CC[C@@H]([NH2+][C@H]2CC23CC3)CC1 335548411 375489256 /nfs/dbraw/zinc/48/92/56/375489256.db2.gz ATFZPLORUPKNRF-MNOVXSKESA-N 1 0 177.291 2.627 10 0 AFAERO CC1=CC[C@H]([NH2+][C@@H]2CC23CC3)CC1 335548419 375489301 /nfs/dbraw/zinc/48/93/01/375489301.db2.gz ATFZPLORUPKNRF-WDEREUQCSA-N 1 0 177.291 2.627 10 0 AFAERO CS[C@@H]1CC[C@@H]1[NH2+]CC1CCCC1 388349317 375498468 /nfs/dbraw/zinc/49/84/68/375498468.db2.gz NTCBHESIDLZVJQ-WDEREUQCSA-N 1 0 199.363 2.660 10 0 AFAERO CS[C@H]1CC[C@H]1[NH2+]CC1CCCC1 388349289 375498519 /nfs/dbraw/zinc/49/85/19/375498519.db2.gz NTCBHESIDLZVJQ-MNOVXSKESA-N 1 0 199.363 2.660 10 0 AFAERO CS[C@@H]1CC[C@H]1[NH2+]CC1CCCC1 388349287 375498811 /nfs/dbraw/zinc/49/88/11/375498811.db2.gz NTCBHESIDLZVJQ-GHMZBOCLSA-N 1 0 199.363 2.660 10 0 AFAERO CS[C@H]1CC[C@@H]1[NH2+]CC1CCCC1 388349311 375498853 /nfs/dbraw/zinc/49/88/53/375498853.db2.gz NTCBHESIDLZVJQ-QWRGUYRKSA-N 1 0 199.363 2.660 10 0 AFAERO CCC(C)(CC)[NH2+]C[C@H](OC)C1CC1 400276101 375503718 /nfs/dbraw/zinc/50/37/18/375503718.db2.gz GOOJEDUZVMLOER-NSHDSACASA-N 1 0 199.338 2.580 10 0 AFAERO CCC(C)(CC)[NH2+]C[C@@H](OC)C1CC1 400276099 375504101 /nfs/dbraw/zinc/50/41/01/375504101.db2.gz GOOJEDUZVMLOER-LLVKDONJSA-N 1 0 199.338 2.580 10 0 AFAERO CC(C)C1([NH2+]CC2=CCCC2)CC1 401139246 375512238 /nfs/dbraw/zinc/51/22/38/375512238.db2.gz GCOQGOJRSPLYOQ-UHFFFAOYSA-N 1 0 179.307 2.875 10 0 AFAERO C(CC1CC1)[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 403256093 375527092 /nfs/dbraw/zinc/52/70/92/375527092.db2.gz WFGHVFJCPPFEOE-FRRDWIJNSA-N 1 0 193.334 2.812 10 0 AFAERO C/C=C\C[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 403235219 375527149 /nfs/dbraw/zinc/52/71/49/375527149.db2.gz PNFFFEPFSLQCQD-OCJJRPKISA-N 1 0 179.307 2.588 10 0 AFAERO C/C=C/C[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 403235223 375527156 /nfs/dbraw/zinc/52/71/56/375527156.db2.gz PNFFFEPFSLQCQD-UUVRSJSRSA-N 1 0 179.307 2.588 10 0 AFAERO C(CC1CC1)[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 403256095 375527310 /nfs/dbraw/zinc/52/73/10/375527310.db2.gz WFGHVFJCPPFEOE-UPJWGTAASA-N 1 0 193.334 2.812 10 0 AFAERO CC(C)(C)C[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 403319597 375528054 /nfs/dbraw/zinc/52/80/54/375528054.db2.gz ABLNKDHDPZVVCY-GARJFASQSA-N 1 0 181.323 2.811 10 0 AFAERO CC(C)(C)C[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 403319598 375528097 /nfs/dbraw/zinc/52/80/97/375528097.db2.gz ABLNKDHDPZVVCY-GMTAPVOTSA-N 1 0 181.323 2.811 10 0 AFAERO C[C@H]([NH2+][C@@H]1CC[C@H]2C[C@H]2C1)[C@H]1C[C@H]1C 403398982 375528702 /nfs/dbraw/zinc/52/87/02/375528702.db2.gz IRWOIAZKVNGGEC-KQAFNVIJSA-N 1 0 193.334 2.809 10 0 AFAERO CC1([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CCC1 403506447 375528713 /nfs/dbraw/zinc/52/87/13/375528713.db2.gz ACYVYHWHKWGCEV-UTUOFQBUSA-N 1 0 193.334 2.955 10 0 AFAERO CC1(C[NH2+][C@@H]2CC[C@H]3C[C@H]3C2)CCC1 403390363 375528724 /nfs/dbraw/zinc/52/87/24/375528724.db2.gz QFSKWQAYTPGFNI-SDDRHHMPSA-N 1 0 193.334 2.955 10 0 AFAERO CC1(C[NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)CCC1 403390361 375528748 /nfs/dbraw/zinc/52/87/48/375528748.db2.gz QFSKWQAYTPGFNI-IJLUTSLNSA-N 1 0 193.334 2.955 10 0 AFAERO CC1([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CCC1 403506432 375528879 /nfs/dbraw/zinc/52/88/79/375528879.db2.gz ACYVYHWHKWGCEV-GRYCIOLGSA-N 1 0 193.334 2.955 10 0 AFAERO C[C@H]([NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1)[C@H]1C[C@H]1C 403398975 375528926 /nfs/dbraw/zinc/52/89/26/375528926.db2.gz IRWOIAZKVNGGEC-KALVJPODSA-N 1 0 193.334 2.809 10 0 AFAERO CCCC[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 403590409 375529699 /nfs/dbraw/zinc/52/96/99/375529699.db2.gz DUSTVAXWJSUFPZ-GRYCIOLGSA-N 1 0 181.323 2.812 10 0 AFAERO CCCC[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 403590411 375529767 /nfs/dbraw/zinc/52/97/67/375529767.db2.gz DUSTVAXWJSUFPZ-UTUOFQBUSA-N 1 0 181.323 2.812 10 0 AFAERO CCC[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 403712816 375530509 /nfs/dbraw/zinc/53/05/09/375530509.db2.gz GCBABKPFCWQYOY-IRCOFANPSA-N 1 0 181.323 2.953 10 0 AFAERO C1=CCC([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 403708998 375530530 /nfs/dbraw/zinc/53/05/30/375530530.db2.gz WPZLOQHZTVKZRX-UTUOFQBUSA-N 1 0 191.318 2.731 10 0 AFAERO C1=CCC([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)C1 403708713 375530563 /nfs/dbraw/zinc/53/05/63/375530563.db2.gz WPZLOQHZTVKZRX-GRYCIOLGSA-N 1 0 191.318 2.731 10 0 AFAERO FCCCC[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 403721095 375530575 /nfs/dbraw/zinc/53/05/75/375530575.db2.gz ZZIATEDRUFTDQT-GRYCIOLGSA-N 1 0 199.313 2.762 10 0 AFAERO C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 403717063 375530588 /nfs/dbraw/zinc/53/05/88/375530588.db2.gz HCNCBFRPOWMHDD-SJHCENCUSA-N 1 0 193.334 2.953 10 0 AFAERO CC(C)[C@H](C)[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 403702348 375530597 /nfs/dbraw/zinc/53/05/97/375530597.db2.gz CSSAGVGUJSDJDW-FIQHERPVSA-N 1 0 181.323 2.809 10 0 AFAERO CC(C)[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 403702350 375530615 /nfs/dbraw/zinc/53/06/15/375530615.db2.gz CSSAGVGUJSDJDW-IRCOFANPSA-N 1 0 181.323 2.809 10 0 AFAERO CCC1([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 403702428 375530647 /nfs/dbraw/zinc/53/06/47/375530647.db2.gz UXLIFHIQMKXMMO-UTUOFQBUSA-N 1 0 193.334 2.955 10 0 AFAERO CC[C@H](C)[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 403717748 375530671 /nfs/dbraw/zinc/53/06/71/375530671.db2.gz HFVDTHMPIAFVPS-XWLWVQCSSA-N 1 0 167.296 2.563 10 0 AFAERO CCC1([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 403702422 375530701 /nfs/dbraw/zinc/53/07/01/375530701.db2.gz UXLIFHIQMKXMMO-GRYCIOLGSA-N 1 0 193.334 2.955 10 0 AFAERO CCC[C@H](C)[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 403712813 375530708 /nfs/dbraw/zinc/53/07/08/375530708.db2.gz GCBABKPFCWQYOY-FIQHERPVSA-N 1 0 181.323 2.953 10 0 AFAERO CC[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 403717742 375530740 /nfs/dbraw/zinc/53/07/40/375530740.db2.gz HFVDTHMPIAFVPS-LNFKQOIKSA-N 1 0 167.296 2.563 10 0 AFAERO C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 403717069 375530749 /nfs/dbraw/zinc/53/07/49/375530749.db2.gz HCNCBFRPOWMHDD-VEGXAWMVSA-N 1 0 193.334 2.953 10 0 AFAERO 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C[C@@H]1[C@@H]([NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)C[C@H]1C 403774022 375531475 /nfs/dbraw/zinc/53/14/75/375531475.db2.gz VNMCRNUVPSKHDP-KALVJPODSA-N 1 0 193.334 2.809 10 0 AFAERO CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1)C1CC1 403746043 375531481 /nfs/dbraw/zinc/53/14/81/375531481.db2.gz NNVLGAUMEYUGIE-LPWJVIDDSA-N 1 0 193.334 2.953 10 0 AFAERO CC1(C)CC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 403766884 375531502 /nfs/dbraw/zinc/53/15/02/375531502.db2.gz SMPUUHHLTIDWBF-KKOKHZNYSA-N 1 0 193.334 2.953 10 0 AFAERO C1CC(C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 403770186 375531512 /nfs/dbraw/zinc/53/15/12/375531512.db2.gz UHCLVGMLMDZPAA-UPJWGTAASA-N 1 0 193.334 2.812 10 0 AFAERO C[C@H](CC1CC1)[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 403744015 375531517 /nfs/dbraw/zinc/53/15/17/375531517.db2.gz NENGLEHSWPJPDP-LPTSXCQYSA-N 1 0 193.334 2.953 10 0 AFAERO CC1(C)CC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 403766888 375531525 /nfs/dbraw/zinc/53/15/25/375531525.db2.gz SMPUUHHLTIDWBF-YFKTTZPYSA-N 1 0 193.334 2.953 10 0 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C1CC(C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)C1 403770178 375531638 /nfs/dbraw/zinc/53/16/38/375531638.db2.gz UHCLVGMLMDZPAA-FRRDWIJNSA-N 1 0 193.334 2.812 10 0 AFAERO C[C@H]([NH2+][C@@H]1CC[C@H]2C[C@H]2C1)C1CC1 403770777 375531654 /nfs/dbraw/zinc/53/16/54/375531654.db2.gz UKVMZPDLZFJFAB-PDEGPIFNSA-N 1 0 179.307 2.563 10 0 AFAERO CC[C@H]([NH2+][C@@H]1CC[C@H]2C[C@H]2C1)C1CC1 403746045 375531659 /nfs/dbraw/zinc/53/16/59/375531659.db2.gz NNVLGAUMEYUGIE-RVMXOQNASA-N 1 0 193.334 2.953 10 0 AFAERO CCC(C)(CC)[NH2+]Cc1ccns1 404444567 375532271 /nfs/dbraw/zinc/53/22/71/375532271.db2.gz BJNFTNUAJQKHKQ-UHFFFAOYSA-N 1 0 198.335 2.811 10 0 AFAERO Cc1cc(C[NH2+][C@@H](C)C(C)C)sn1 404435475 375532315 /nfs/dbraw/zinc/53/23/15/375532315.db2.gz CBXRZMPUMDBNMR-VIFPVBQESA-N 1 0 198.335 2.586 10 0 AFAERO CC(C)=CCC[NH2+]Cc1ccns1 404430290 375532345 /nfs/dbraw/zinc/53/23/45/375532345.db2.gz AJCJPDBRTMUDCX-UHFFFAOYSA-N 1 0 196.319 2.589 10 0 AFAERO CC[C@H](C)CC[NH2+]Cc1ccns1 404348134 375532855 /nfs/dbraw/zinc/53/28/55/375532855.db2.gz WIWYEWMLQGRXAN-VIFPVBQESA-N 1 0 198.335 2.669 10 0 AFAERO Cc1cc(C[NH2+][C@H](C)C(C)C)sn1 404435474 375532891 /nfs/dbraw/zinc/53/28/91/375532891.db2.gz CBXRZMPUMDBNMR-SECBINFHSA-N 1 0 198.335 2.586 10 0 AFAERO CC[C@@H](C)CC[NH2+]Cc1ccns1 404348133 375533080 /nfs/dbraw/zinc/53/30/80/375533080.db2.gz WIWYEWMLQGRXAN-SECBINFHSA-N 1 0 198.335 2.669 10 0 AFAERO CC1([NH2+]Cc2ccns2)CCCC1 404485311 375533514 /nfs/dbraw/zinc/53/35/14/375533514.db2.gz KCKGGWJMCHLSLQ-UHFFFAOYSA-N 1 0 196.319 2.565 10 0 AFAERO CC(C)(C)CC[NH2+]Cc1ccns1 404465112 375533646 /nfs/dbraw/zinc/53/36/46/375533646.db2.gz RWCJEOFRDVGERZ-UHFFFAOYSA-N 1 0 198.335 2.669 10 0 AFAERO C[C@@H]([NH2+]Cc1ccns1)C(C)(C)C 404471284 375533790 /nfs/dbraw/zinc/53/37/90/375533790.db2.gz YHTNBCNFZACMKN-MRVPVSSYSA-N 1 0 198.335 2.667 10 0 AFAERO CCCC(C)(C)[NH2+]Cc1ccns1 404464430 375534080 /nfs/dbraw/zinc/53/40/80/375534080.db2.gz RHCZTMWPZAVZFV-UHFFFAOYSA-N 1 0 198.335 2.811 10 0 AFAERO CC(C)[C@H](C)C[NH2+]Cc1ccns1 404459872 375534237 /nfs/dbraw/zinc/53/42/37/375534237.db2.gz NFYIDGMTEZBWBM-SECBINFHSA-N 1 0 198.335 2.525 10 0 AFAERO CC(C)[C@@H](C)C[NH2+]Cc1ccns1 404459873 375534310 /nfs/dbraw/zinc/53/43/10/375534310.db2.gz NFYIDGMTEZBWBM-VIFPVBQESA-N 1 0 198.335 2.525 10 0 AFAERO CCC1([NH2+]Cc2ccns2)CCC1 404498345 375534845 /nfs/dbraw/zinc/53/48/45/375534845.db2.gz UOOVTYKCSUCLIE-UHFFFAOYSA-N 1 0 196.319 2.565 10 0 AFAERO C[C@@H]([NH3+])Cc1cc2cscc2s1 575454366 375548648 /nfs/dbraw/zinc/54/86/48/375548648.db2.gz IYYWIVQMJSPMRW-ZCFIWIBFSA-N 1 0 197.328 2.853 10 0 AFAERO CC1(C)C[C@@H](F)C[N@@H+](C(C)(C)C)C1 584614074 375553243 /nfs/dbraw/zinc/55/32/43/375553243.db2.gz WRZDTKJONZNCDP-SECBINFHSA-N 1 0 187.302 2.855 10 0 AFAERO CC1(C)C[C@H](F)C[N@@H+](C(C)(C)C)C1 584614075 375553379 /nfs/dbraw/zinc/55/33/79/375553379.db2.gz WRZDTKJONZNCDP-VIFPVBQESA-N 1 0 187.302 2.855 10 0 AFAERO CC1(C)CC(F)(F)CC(C)(C)[NH2+]1 584634559 375554803 /nfs/dbraw/zinc/55/48/03/375554803.db2.gz MMTRIWXGDOFGLW-UHFFFAOYSA-N 1 0 177.238 2.562 10 0 AFAERO C[C@@H]1[NH2+]CC[C@@H](C)[C@@H]1c1ccccc1 584651830 375555426 /nfs/dbraw/zinc/55/54/26/375555426.db2.gz XLKDLYXLTILMFA-MDZLAQPJSA-N 1 0 189.302 2.788 10 0 AFAERO C[C@@H]1CC[NH2+][C@H](C)[C@H]1c1ccccc1 584651833 375555459 /nfs/dbraw/zinc/55/54/59/375555459.db2.gz XLKDLYXLTILMFA-WZRBSPASSA-N 1 0 189.302 2.788 10 0 AFAERO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1c1ccccc1 584651831 375555464 /nfs/dbraw/zinc/55/54/64/375555464.db2.gz XLKDLYXLTILMFA-NQBHXWOUSA-N 1 0 189.302 2.788 10 0 AFAERO C[C@@H]1[NH2+]CC[C@@H](C)[C@H]1c1ccccc1 584651832 375555510 /nfs/dbraw/zinc/55/55/10/375555510.db2.gz XLKDLYXLTILMFA-NTZNESFSSA-N 1 0 189.302 2.788 10 0 AFAERO CCC[N@H+](CCSCC)C(C)C 594023402 375563647 /nfs/dbraw/zinc/56/36/47/375563647.db2.gz CTSCHBHMNGIZHB-UHFFFAOYSA-N 1 0 189.368 2.860 10 0 AFAERO CCC[N@H+](CCCSC)C(C)C 594023417 375563767 /nfs/dbraw/zinc/56/37/67/375563767.db2.gz GKVZISZVNBRECW-UHFFFAOYSA-N 1 0 189.368 2.860 10 0 AFAERO C[C@@H](CF)[NH2+][C@H]1CCCC[C@H]1C1CC1 646215356 375584351 /nfs/dbraw/zinc/58/43/51/375584351.db2.gz WBGGNUPUDNJPLC-DLOVCJGASA-N 1 0 199.313 2.903 10 0 AFAERO CC[NH2+]C1(c2ccccc2F)CCC1 646026504 375570192 /nfs/dbraw/zinc/57/01/92/375570192.db2.gz RUNJNHIMDUZNGE-UHFFFAOYSA-N 1 0 193.265 2.814 10 0 AFAERO CC[NH2+]C1(c2cccc(F)c2)CCC1 646004146 375570199 /nfs/dbraw/zinc/57/01/99/375570199.db2.gz DJLPBUPHZNOGTC-UHFFFAOYSA-N 1 0 193.265 2.814 10 0 AFAERO CC[NH2+]C1(c2cccc(C)c2)CCC1 646021527 375570409 /nfs/dbraw/zinc/57/04/09/375570409.db2.gz ICFUSPCMYHBPIM-UHFFFAOYSA-N 1 0 189.302 2.984 10 0 AFAERO CCC[C@@H](C)[N@H+](C)Cc1conc1C 646055359 375571106 /nfs/dbraw/zinc/57/11/06/375571106.db2.gz SMLFNCPLCCZMEJ-SECBINFHSA-N 1 0 196.294 2.603 10 0 AFAERO CCC[NH+](CCC)Cc1conc1C 646046883 375571210 /nfs/dbraw/zinc/57/12/10/375571210.db2.gz YHBGKAOLAPIHQN-UHFFFAOYSA-N 1 0 196.294 2.605 10 0 AFAERO CCC[C@H](C)[N@H+](C)Cc1conc1C 646055360 375571416 /nfs/dbraw/zinc/57/14/16/375571416.db2.gz 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375575323 /nfs/dbraw/zinc/57/53/23/375575323.db2.gz YHEYAAXEPBHSDG-NSHDSACASA-N 1 0 199.338 2.676 10 0 AFAERO C[N@H+](CCC[C@@H]1CCOC1)C(C)(C)C 646088642 375575431 /nfs/dbraw/zinc/57/54/31/375575431.db2.gz NCUZISPGAPZHJP-LLVKDONJSA-N 1 0 199.338 2.533 10 0 AFAERO C1=C[C@H]([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)CCC1 646091783 375576539 /nfs/dbraw/zinc/57/65/39/375576539.db2.gz CXDYJDXRPVLJIG-MROQNXINSA-N 1 0 191.318 2.873 10 0 AFAERO FCCCCC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 646089145 375576763 /nfs/dbraw/zinc/57/67/63/375576763.db2.gz JCETUTBCDNFDCJ-QJPTWQEYSA-N 1 0 199.313 2.904 10 0 AFAERO CC[N@@H+]1CCCC[C@@H]1C1CCC1 646138139 375579930 /nfs/dbraw/zinc/57/99/30/375579930.db2.gz CRMUSFLMTNSBSN-LLVKDONJSA-N 1 0 167.296 2.661 10 0 AFAERO CC[N@@H+]1CCCC[C@H]1C1CCC1 646138140 375580143 /nfs/dbraw/zinc/58/01/43/375580143.db2.gz CRMUSFLMTNSBSN-NSHDSACASA-N 1 0 167.296 2.661 10 0 AFAERO CC[NH2+]C1(c2ccc(C)cc2)CCC1 646131318 375580486 /nfs/dbraw/zinc/58/04/86/375580486.db2.gz LKYKPSUHEHEAMC-UHFFFAOYSA-N 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646215006 375583078 /nfs/dbraw/zinc/58/30/78/375583078.db2.gz GRAWRKUWVZCQNO-GUBZILKMSA-N 1 0 173.275 2.513 10 0 AFAERO CC1=CC[C@@H]([NH2+]CCCCF)CC1 646206041 375583084 /nfs/dbraw/zinc/58/30/84/375583084.db2.gz VDSZDVFPFRADBL-LLVKDONJSA-N 1 0 185.286 2.825 10 0 AFAERO CC1=CC[C@H]([NH2+][C@H]2CC[C@H]2C)CC1 646195510 375583124 /nfs/dbraw/zinc/58/31/24/375583124.db2.gz UEUANARMNMMQGP-WOPDTQHZSA-N 1 0 179.307 2.873 10 0 AFAERO CC1=CC[C@H]([NH2+][C@H]2CC[C@@H]2C)CC1 646195509 375583128 /nfs/dbraw/zinc/58/31/28/375583128.db2.gz UEUANARMNMMQGP-SRVKXCTJSA-N 1 0 179.307 2.873 10 0 AFAERO CC1=CC[C@H]([NH2+]CCCCF)CC1 646206042 375583191 /nfs/dbraw/zinc/58/31/91/375583191.db2.gz VDSZDVFPFRADBL-NSHDSACASA-N 1 0 185.286 2.825 10 0 AFAERO C[C@@H](CF)[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C 646215208 375583871 /nfs/dbraw/zinc/58/38/71/375583871.db2.gz MLGQENPOIWQMRJ-CHWFTXMASA-N 1 0 187.302 2.759 10 0 AFAERO C[C@@H](CF)[NH2+][C@@H]1CCCC[C@@H]1C1CC1 646215357 375583894 /nfs/dbraw/zinc/58/38/94/375583894.db2.gz 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133864452 409498720 /nfs/dbraw/zinc/49/87/20/409498720.db2.gz WASGBIULAPWOSV-MNOVXSKESA-N 1 0 199.338 2.580 10 0 AFAERO CCOC1CC([NH2+][C@H](C)C(C)(C)C)C1 133889934 409498763 /nfs/dbraw/zinc/49/87/63/409498763.db2.gz HAKDTADPCRSSHU-KPPDAEKUSA-N 1 0 199.338 2.578 10 0 AFAERO CO[C@H](C)[C@H](C)[NH2+][C@@H](C)C1CCCC1 133692052 409498810 /nfs/dbraw/zinc/49/88/10/409498810.db2.gz XLUPLIIAALGQMJ-GARJFASQSA-N 1 0 199.338 2.578 10 0 AFAERO CC[C@@H](C)[NH2+][C@H]1CCCSCC1 657815711 409498899 /nfs/dbraw/zinc/49/88/99/409498899.db2.gz FBOKXMWLIXHLHM-ZJUUUORDSA-N 1 0 187.352 2.660 10 0 AFAERO C[C@@H]([NH2+][C@H]1CCCSCC1)C1CC1 657823011 409498909 /nfs/dbraw/zinc/49/89/09/409498909.db2.gz GUXNOENKYAUVNN-KOLCDFICSA-N 1 0 199.363 2.660 10 0 AFAERO C[C@@H]([NH2+][C@@H]1CCCC12CC2)C1CC1 657824107 409498966 /nfs/dbraw/zinc/49/89/66/409498966.db2.gz QQCFSHSWERGFRW-MWLCHTKSSA-N 1 0 179.307 2.707 10 0 AFAERO CCCC[NH2+][C@@H]1CCCC12CC2 657820000 409499007 /nfs/dbraw/zinc/49/90/07/409499007.db2.gz ZRIORFQVJUBWEV-SNVBAGLBSA-N 1 0 167.296 2.709 10 0 AFAERO C[C@@H]([NH2+][C@H]1CCCC12CC2)C1CC1 657824106 409499057 /nfs/dbraw/zinc/49/90/57/409499057.db2.gz QQCFSHSWERGFRW-KOLCDFICSA-N 1 0 179.307 2.707 10 0 AFAERO CCCC[NH2+][C@H]1CCCC12CC2 657819999 409499079 /nfs/dbraw/zinc/49/90/79/409499079.db2.gz ZRIORFQVJUBWEV-JTQLQIEISA-N 1 0 167.296 2.709 10 0 AFAERO CC(C)C[NH2+][C@H]1CCCSCC1 657819542 409499114 /nfs/dbraw/zinc/49/91/14/409499114.db2.gz XGPPRHDRMYVGPY-JTQLQIEISA-N 1 0 187.352 2.518 10 0 AFAERO CCCC[NH2+][C@@H]1CCCSCC1 657817996 409499122 /nfs/dbraw/zinc/49/91/22/409499122.db2.gz QUOCDOJFCHUZNL-SNVBAGLBSA-N 1 0 187.352 2.662 10 0 AFAERO CC(C)C[NH2+][C@H](C)C(C)(C)C(F)F 657817054 409499142 /nfs/dbraw/zinc/49/91/42/409499142.db2.gz MVSXECBTGBSGLW-MRVPVSSYSA-N 1 0 193.281 2.912 10 0 AFAERO CC[C@H](C)[NH2+][C@@H]1CCCC12CC2 657818539 409499198 /nfs/dbraw/zinc/49/91/98/409499198.db2.gz UQNZYBYAPQQHLY-VHSXEESVSA-N 1 0 167.296 2.707 10 0 AFAERO C[C@H]([NH2+][C@@H]1CCCSCC1)C1CC1 657823010 409499202 /nfs/dbraw/zinc/49/92/02/409499202.db2.gz GUXNOENKYAUVNN-GXSJLCMTSA-N 1 0 199.363 2.660 10 0 AFAERO C[C@H]([NH2+][C@H]1CCCC12CC2)C1CC1 657824108 409499212 /nfs/dbraw/zinc/49/92/12/409499212.db2.gz QQCFSHSWERGFRW-ONGXEEELSA-N 1 0 179.307 2.707 10 0 AFAERO C[C@H]([NH2+][C@H]1CCCSCC1)C1CC1 657823013 409499223 /nfs/dbraw/zinc/49/92/23/409499223.db2.gz GUXNOENKYAUVNN-ONGXEEELSA-N 1 0 199.363 2.660 10 0 AFAERO CC[C@@H](C)[NH2+][C@@H]1CCCSCC1 657815704 409499229 /nfs/dbraw/zinc/49/92/29/409499229.db2.gz FBOKXMWLIXHLHM-NXEZZACHSA-N 1 0 187.352 2.660 10 0 AFAERO CCC[NH2+][C@H](C)C(C)(C)C(F)F 657817422 409499241 /nfs/dbraw/zinc/49/92/41/409499241.db2.gz RUVBNRYAEJNUIZ-SSDOTTSWSA-N 1 0 179.254 2.666 10 0 AFAERO CC(C)CC[NH2+][C@H]1CCCC12CC2 657817456 409499244 /nfs/dbraw/zinc/49/92/44/409499244.db2.gz OSDAQOAETOVKSE-NSHDSACASA-N 1 0 181.323 2.955 10 0 AFAERO CC[C@@H](C)[NH2+][C@@H]1CCCC12CC2 657818533 409499272 /nfs/dbraw/zinc/49/92/72/409499272.db2.gz UQNZYBYAPQQHLY-NXEZZACHSA-N 1 0 167.296 2.707 10 0 AFAERO C[C@H]([NH2+][C@@H]1CCCC12CC2)C1CC1 657824105 409499312 /nfs/dbraw/zinc/49/93/12/409499312.db2.gz QQCFSHSWERGFRW-GXSJLCMTSA-N 1 0 179.307 2.707 10 0 AFAERO CCC[NH2+][C@@H](C)C(C)(C)C(F)F 657817423 409499327 /nfs/dbraw/zinc/49/93/27/409499327.db2.gz RUVBNRYAEJNUIZ-ZETCQYMHSA-N 1 0 179.254 2.666 10 0 AFAERO CC(C)CC[NH2+][C@@H]1CCCC12CC2 657817454 409499428 /nfs/dbraw/zinc/49/94/28/409499428.db2.gz OSDAQOAETOVKSE-LLVKDONJSA-N 1 0 181.323 2.955 10 0 AFAERO CCCC[NH2+][C@H]1CCCSCC1 657817994 409499454 /nfs/dbraw/zinc/49/94/54/409499454.db2.gz QUOCDOJFCHUZNL-JTQLQIEISA-N 1 0 187.352 2.662 10 0 AFAERO C[C@@H]([NH2+][C@@H]1CCCSCC1)C1CC1 657823012 409499459 /nfs/dbraw/zinc/49/94/59/409499459.db2.gz GUXNOENKYAUVNN-MWLCHTKSSA-N 1 0 199.363 2.660 10 0 AFAERO CC(C)C[NH2+][C@H]1CCCC12CC2 657817943 409499515 /nfs/dbraw/zinc/49/95/15/409499515.db2.gz QLNYTJHQVWJXEG-JTQLQIEISA-N 1 0 167.296 2.565 10 0 AFAERO CC[C@H](C)[NH2+][C@@H]1CCCSCC1 657815709 409499605 /nfs/dbraw/zinc/49/96/05/409499605.db2.gz FBOKXMWLIXHLHM-VHSXEESVSA-N 1 0 187.352 2.660 10 0 AFAERO CC(C)C[NH2+][C@@H]1CCCC12CC2 657817945 409499620 /nfs/dbraw/zinc/49/96/20/409499620.db2.gz QLNYTJHQVWJXEG-SNVBAGLBSA-N 1 0 167.296 2.565 10 0 AFAERO CC(C)C[NH2+][C@@H]1CCCSCC1 657819543 409499708 /nfs/dbraw/zinc/49/97/08/409499708.db2.gz XGPPRHDRMYVGPY-SNVBAGLBSA-N 1 0 187.352 2.518 10 0 AFAERO CC(C)C[NH2+][C@@H](C)C(C)(C)C(F)F 657817055 409499733 /nfs/dbraw/zinc/49/97/33/409499733.db2.gz MVSXECBTGBSGLW-QMMMGPOBSA-N 1 0 193.281 2.912 10 0 AFAERO CC[C@H](C)[NH2+][C@H]1CCCC12CC2 657818536 409499788 /nfs/dbraw/zinc/49/97/88/409499788.db2.gz UQNZYBYAPQQHLY-UWVGGRQHSA-N 1 0 167.296 2.707 10 0 AFAERO CC[C@H](C)[NH2+][C@H]1CCCSCC1 657815706 409499813 /nfs/dbraw/zinc/49/98/13/409499813.db2.gz FBOKXMWLIXHLHM-UWVGGRQHSA-N 1 0 187.352 2.660 10 0 AFAERO C[C@@H]1C[C@H]1C[NH2+][C@@H]1CCCC12CC2 657851030 409500691 /nfs/dbraw/zinc/50/06/91/409500691.db2.gz YPCRSVBDUOGTQY-OUAUKWLOSA-N 1 0 179.307 2.565 10 0 AFAERO C[C@@H]1C[C@H]1C[NH2+][C@@H]1CCCSCC1 657849216 409500743 /nfs/dbraw/zinc/50/07/43/409500743.db2.gz DCXZUSPATAYRBB-OUAUKWLOSA-N 1 0 199.363 2.518 10 0 AFAERO C1CC(C[NH2+][C@H]2CCCSCC2)C1 657853230 409500756 /nfs/dbraw/zinc/50/07/56/409500756.db2.gz JYEHCLQMNAOXMF-NSHDSACASA-N 1 0 199.363 2.662 10 0 AFAERO CC(C)(C)C[NH2+][C@@H]1CCCC12CC2 657850534 409500798 /nfs/dbraw/zinc/50/07/98/409500798.db2.gz STYXNKDILFSSNK-SNVBAGLBSA-N 1 0 181.323 2.955 10 0 AFAERO C1CC(C[NH2+][C@@H]2CCCC23CC3)C1 657854968 409500852 /nfs/dbraw/zinc/50/08/52/409500852.db2.gz ZHFMVIFZZPECAJ-LLVKDONJSA-N 1 0 179.307 2.709 10 0 AFAERO C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CCCC12CC2 657851028 409500917 /nfs/dbraw/zinc/50/09/17/409500917.db2.gz YPCRSVBDUOGTQY-GMTAPVOTSA-N 1 0 179.307 2.565 10 0 AFAERO c1cc(C[NH2+][C@H]2CCCC23CC3)co1 657845416 409500920 /nfs/dbraw/zinc/50/09/20/409500920.db2.gz OANLAEYOMGBFSH-NSHDSACASA-N 1 0 191.274 2.702 10 0 AFAERO C[C@H](C[NH2+][C@H]1CCCC12CC2)C1CC1 657856260 409500947 /nfs/dbraw/zinc/50/09/47/409500947.db2.gz MPGISSCCGAVGLZ-PWSUYJOCSA-N 1 0 193.334 2.955 10 0 AFAERO C[C@@H](C[NH2+][C@@H]1CCCC12CC2)C1CC1 657856256 409500963 /nfs/dbraw/zinc/50/09/63/409500963.db2.gz MPGISSCCGAVGLZ-CMPLNLGQSA-N 1 0 193.334 2.955 10 0 AFAERO CC(C)(C)C[NH2+][C@H]1CCCC12CC2 657850533 409500975 /nfs/dbraw/zinc/50/09/75/409500975.db2.gz STYXNKDILFSSNK-JTQLQIEISA-N 1 0 181.323 2.955 10 0 AFAERO C1CC(C[NH2+][C@H]2CCCC23CC3)C1 657854970 409501084 /nfs/dbraw/zinc/50/10/84/409501084.db2.gz ZHFMVIFZZPECAJ-NSHDSACASA-N 1 0 179.307 2.709 10 0 AFAERO C[C@@H]([NH2+]CC1CC1)C(C)(C)C(F)F 657832681 409501089 /nfs/dbraw/zinc/50/10/89/409501089.db2.gz LWXLOUYTOKIGCK-SSDOTTSWSA-N 1 0 191.265 2.666 10 0 AFAERO CC(C)[C@@H]([NH3+])CC1CCSCC1 158454264 409501096 /nfs/dbraw/zinc/50/10/96/409501096.db2.gz ZRTRMMHWCVCUGW-JTQLQIEISA-N 1 0 187.352 2.503 10 0 AFAERO C[C@@H](C[NH2+][C@H]1CCCC12CC2)C1CC1 657856258 409501105 /nfs/dbraw/zinc/50/11/05/409501105.db2.gz MPGISSCCGAVGLZ-JQWIXIFHSA-N 1 0 193.334 2.955 10 0 AFAERO C[C@@H]1C[C@H]1C[NH2+][C@H]1CCCC12CC2 657851031 409501148 /nfs/dbraw/zinc/50/11/48/409501148.db2.gz YPCRSVBDUOGTQY-VWYCJHECSA-N 1 0 179.307 2.565 10 0 AFAERO C1CC(C[NH2+][C@@H]2CCCSCC2)C1 657853228 409501216 /nfs/dbraw/zinc/50/12/16/409501216.db2.gz JYEHCLQMNAOXMF-LLVKDONJSA-N 1 0 199.363 2.662 10 0 AFAERO c1cc(C[NH2+][C@@H]2CCCC23CC3)co1 657845414 409501231 /nfs/dbraw/zinc/50/12/31/409501231.db2.gz OANLAEYOMGBFSH-LLVKDONJSA-N 1 0 191.274 2.702 10 0 AFAERO CC(C)[C@H]([NH3+])CC1CCSCC1 158454121 409501248 /nfs/dbraw/zinc/50/12/48/409501248.db2.gz ZRTRMMHWCVCUGW-SNVBAGLBSA-N 1 0 187.352 2.503 10 0 AFAERO C[C@@H]1C[C@H]1C[NH2+][C@H]1CCCSCC1 657849217 409501276 /nfs/dbraw/zinc/50/12/76/409501276.db2.gz DCXZUSPATAYRBB-VWYCJHECSA-N 1 0 199.363 2.518 10 0 AFAERO C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CCCSCC1 657849214 409501300 /nfs/dbraw/zinc/50/13/00/409501300.db2.gz DCXZUSPATAYRBB-GMTAPVOTSA-N 1 0 199.363 2.518 10 0 AFAERO C[C@@H]1C[C@@H]1C[NH2+][C@H]1CCCC12CC2 657851029 409501320 /nfs/dbraw/zinc/50/13/20/409501320.db2.gz YPCRSVBDUOGTQY-MXWKQRLJSA-N 1 0 179.307 2.565 10 0 AFAERO C[C@H](C[NH2+][C@@H]1CCCC12CC2)C1CC1 657856262 409501340 /nfs/dbraw/zinc/50/13/40/409501340.db2.gz MPGISSCCGAVGLZ-ZYHUDNBSSA-N 1 0 193.334 2.955 10 0 AFAERO COC1([C@H]([NH3+])C(C)C)CCCCCC1 160635218 409501821 /nfs/dbraw/zinc/50/18/21/409501821.db2.gz GSZYIFPVEOZXQY-LLVKDONJSA-N 1 0 199.338 2.709 10 0 AFAERO COC1([C@@H]([NH3+])C(C)C)CCCCCC1 160635093 409501962 /nfs/dbraw/zinc/50/19/62/409501962.db2.gz GSZYIFPVEOZXQY-NSHDSACASA-N 1 0 199.338 2.709 10 0 AFAERO C[C@@H]([NH2+]CCCF)C(C)(C)C(F)F 657924855 409502258 /nfs/dbraw/zinc/50/22/58/409502258.db2.gz IJEUWUSVHQCSRI-SSDOTTSWSA-N 1 0 197.244 2.615 10 0 AFAERO C[C@@H]([NH2+]C1CCC1)C(C)(C)C(F)F 657912404 409502191 /nfs/dbraw/zinc/50/21/91/409502191.db2.gz GISISTRGFPWMKE-SSDOTTSWSA-N 1 0 191.265 2.808 10 0 AFAERO C1CSCC[C@@H]([NH2+]CCC2CC2)C1 657922486 409502228 /nfs/dbraw/zinc/50/22/28/409502228.db2.gz OUOGFRZJGXYMOP-NSHDSACASA-N 1 0 199.363 2.662 10 0 AFAERO CC1(C)C[C@H]1C[NH2+][C@@H]1CCCC12CC2 657916032 409502276 /nfs/dbraw/zinc/50/22/76/409502276.db2.gz RHMZTKQHXWSOQL-WDEREUQCSA-N 1 0 193.334 2.955 10 0 AFAERO CC1(C[NH2+][C@H]2CCCSCC2)CC1 657922372 409502400 /nfs/dbraw/zinc/50/24/00/409502400.db2.gz JQULIUDHBOWDOO-JTQLQIEISA-N 1 0 199.363 2.662 10 0 AFAERO C1C[C@H]([NH2+]CCC2CC2)C2(C1)CC2 657922896 409502439 /nfs/dbraw/zinc/50/24/39/409502439.db2.gz TUECMVBIEQKBAC-NSHDSACASA-N 1 0 179.307 2.709 10 0 AFAERO C[C@H]([NH2+]C1CCC1)C(C)(C)C(F)F 657912405 409502508 /nfs/dbraw/zinc/50/25/08/409502508.db2.gz GISISTRGFPWMKE-ZETCQYMHSA-N 1 0 191.265 2.808 10 0 AFAERO C1C[C@@H]([NH2+]CCC2CC2)C2(C1)CC2 657922894 409502555 /nfs/dbraw/zinc/50/25/55/409502555.db2.gz TUECMVBIEQKBAC-LLVKDONJSA-N 1 0 179.307 2.709 10 0 AFAERO CC1(C[NH2+][C@@H]2CCCSCC2)CC1 657922374 409502563 /nfs/dbraw/zinc/50/25/63/409502563.db2.gz JQULIUDHBOWDOO-SNVBAGLBSA-N 1 0 199.363 2.662 10 0 AFAERO CC1(C)C[C@@H]1C[NH2+][C@@H]1CCCC12CC2 657916029 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199.363 2.662 10 0 AFAERO CC1([NH2+][C@@H]2CCCSCC2)CCC1 657964713 409504466 /nfs/dbraw/zinc/50/44/66/409504466.db2.gz MGEFTCNWZZMHHH-SNVBAGLBSA-N 1 0 199.363 2.804 10 0 AFAERO CC/C=C\C[NH2+][C@@H]1CCCSCC1 658025977 409503433 /nfs/dbraw/zinc/50/34/33/409503433.db2.gz AICVBNVGXOASHC-DLRQAJBASA-N 1 0 199.363 2.828 10 0 AFAERO CC[C@@H]1C[C@H]1C[NH2+][C@@H]1CCCC12CC2 658031144 409503438 /nfs/dbraw/zinc/50/34/38/409503438.db2.gz YBMJVOYMXICWTI-GRYCIOLGSA-N 1 0 193.334 2.955 10 0 AFAERO CC1([NH2+][C@H]2CCCSCC2)CCC1 657964712 409503444 /nfs/dbraw/zinc/50/34/44/409503444.db2.gz MGEFTCNWZZMHHH-JTQLQIEISA-N 1 0 199.363 2.804 10 0 AFAERO CC(C)=CC[NH2+][C@H]1CCCSCC1 657989639 409503529 /nfs/dbraw/zinc/50/35/29/409503529.db2.gz OIORVDUEHZXXJX-NSHDSACASA-N 1 0 199.363 2.828 10 0 AFAERO CC/C=C/C[NH2+][C@@H]1CCCC12CC2 658026006 409503599 /nfs/dbraw/zinc/50/35/99/409503599.db2.gz ARYYENSQNHCUMQ-PGLGOXFNSA-N 1 0 179.307 2.875 10 0 AFAERO CC/C=C/C[NH2+][C@H]1CCCSCC1 658025979 409503992 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/nfs/dbraw/zinc/37/10/77/573371077.db2.gz BQEUORVMWFZRSM-GFCCVEGCSA-N 1 0 199.338 2.711 10 0 AFAERO CC(C)[C@@H](C)[C@H]([NH3+])CCC(F)(F)F 129616901 573371078 /nfs/dbraw/zinc/37/10/78/573371078.db2.gz HBWFOXBQKSZDMD-HTQZYQBOSA-N 1 0 197.244 2.948 10 0 AFAERO [NH3+][C@]1(c2ccccc2)CC12CCCC2 107133020 573371190 /nfs/dbraw/zinc/37/11/90/573371190.db2.gz TZGZJLCTTMHISD-ZDUSSCGKSA-N 1 0 187.286 2.805 10 0 AFAERO CC[C@@]1(c2ccc(C)o2)CCCC[NH2+]1 258323941 573371403 /nfs/dbraw/zinc/37/14/03/573371403.db2.gz WKPOEDWTLRTODW-LBPRGKRZSA-N 1 0 193.290 2.967 10 0 AFAERO CC[C@H](F)C[N@H+](CC)CC1CCC1 308378262 573378725 /nfs/dbraw/zinc/37/87/25/573378725.db2.gz TYBOMAMCPDLDSL-NSHDSACASA-N 1 0 187.302 2.857 10 0 AFAERO C[C@H]1C[NH2+][C@H](C)c2ccc(F)c(F)c21 235577229 573378745 /nfs/dbraw/zinc/37/87/45/573378745.db2.gz QNBDUPYPRAUDFZ-NKWVEPMBSA-N 1 0 197.228 2.733 10 0 AFAERO CC[N@H+](CC1CC1)[C@@H]1CCCSC1 308371798 573378772 /nfs/dbraw/zinc/37/87/72/573378772.db2.gz QLKMAXFQYURUII-LLVKDONJSA-N 1 0 199.363 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/nfs/dbraw/zinc/37/89/81/573378981.db2.gz RBWROGANRKUMMR-GFCCVEGCSA-N 1 0 192.306 2.970 10 0 AFAERO CC[N@H+](CC1CC1)[C@H]1CCCSC1 308371799 573378991 /nfs/dbraw/zinc/37/89/91/573378991.db2.gz QLKMAXFQYURUII-NSHDSACASA-N 1 0 199.363 2.614 10 0 AFAERO CC(C)C[C@H](C)[C@@H]([NH3+])C[C@@H]1CCCO1 393663635 573379007 /nfs/dbraw/zinc/37/90/07/573379007.db2.gz BYWVOOAVQCJLHR-SRVKXCTJSA-N 1 0 199.338 2.565 10 0 AFAERO CC[C@H](Nc1cnccc1C)C1CC1 83056596 573379016 /nfs/dbraw/zinc/37/90/16/573379016.db2.gz OKWWHGSELLCVTL-NSHDSACASA-N 1 0 190.290 2.991 10 0 AFAERO CC(C)([NH2+]CCCC(F)F)C1CC1 688724896 573379058 /nfs/dbraw/zinc/37/90/58/573379058.db2.gz DPPUFQMLAOANGL-UHFFFAOYSA-N 1 0 191.265 2.810 10 0 AFAERO CSc1cc(C)c(C)cc1CC[NH3+] 258016869 573379072 /nfs/dbraw/zinc/37/90/72/573379072.db2.gz HWPUJDKMPDGCFF-UHFFFAOYSA-N 1 0 195.331 2.527 10 0 AFAERO Cc1cccc(/C=C(\C[NH3+])C2CC2)c1 259610272 573379248 /nfs/dbraw/zinc/37/92/48/573379248.db2.gz DSBAFEMKWPUIGK-MDWZMJQESA-N 1 0 187.286 2.747 10 0 AFAERO CCn1c([C@H](C)[NH3+])cc2ccccc21 258017978 573379274 /nfs/dbraw/zinc/37/92/74/573379274.db2.gz GWVBIGURMXUMSK-VIFPVBQESA-N 1 0 188.274 2.681 10 0 AFAERO CCC1(CC(=O)[C@@](C)([NH3+])CC)CCC1 308565169 573379308 /nfs/dbraw/zinc/37/93/08/573379308.db2.gz HHIBKKDOZAKAHF-NSHDSACASA-N 1 0 197.322 2.653 10 0 AFAERO CCC[C@@H](C)[C@@H]([NH3+])c1cncc(C)c1 133141144 573379662 /nfs/dbraw/zinc/37/96/62/573379662.db2.gz OIENUVOQLHDFGF-ZYHUDNBSSA-N 1 0 192.306 2.826 10 0 AFAERO Cc1cc(F)ccc1C/C=C\CC[NH3+] 308371662 573379734 /nfs/dbraw/zinc/37/97/34/573379734.db2.gz ABWBFLRMSAWQLE-IHWYPQMZSA-N 1 0 193.265 2.582 10 0 AFAERO F[C@@H](C1=CCCCCC1)[C@H]1CCC[NH2+]1 236194460 573379806 /nfs/dbraw/zinc/37/98/06/573379806.db2.gz BWGRFYHWZGJXNU-NEPJUHHUSA-N 1 0 197.297 2.967 10 0 AFAERO CCC[C@H](C)[NH2+]CC[C@@H](C)SC 133165824 573379841 /nfs/dbraw/zinc/37/98/41/573379841.db2.gz CUXHCQRWZPZIHF-VHSXEESVSA-N 1 0 189.368 2.906 10 0 AFAERO C[C@H]1CC[C@@H](CCCC(F)F)[NH2+]C1 688749084 573379845 /nfs/dbraw/zinc/37/98/45/573379845.db2.gz MILDGNZAELJSID-DTWKUNHWSA-N 1 0 191.265 2.810 10 0 AFAERO CCC1(CC(=O)[C@](C)([NH3+])CC)CCC1 308565168 573379892 /nfs/dbraw/zinc/37/98/92/573379892.db2.gz HHIBKKDOZAKAHF-LLVKDONJSA-N 1 0 197.322 2.653 10 0 AFAERO CCC[C@@H](C)[C@H]([NH3+])c1cncc(C)c1 133140756 573379923 /nfs/dbraw/zinc/37/99/23/573379923.db2.gz OIENUVOQLHDFGF-PWSUYJOCSA-N 1 0 192.306 2.826 10 0 AFAERO C/C=C/CC[NH2+]C/C=C\c1ccco1 308371311 573379955 /nfs/dbraw/zinc/37/99/55/573379955.db2.gz CGQXWPDOEXGRKD-KQSAIEMLSA-N 1 0 191.274 2.849 10 0 AFAERO CCC[C@@H](C)[C@@H]([NH3+])CCC1CC1 129931853 573379958 /nfs/dbraw/zinc/37/99/58/573379958.db2.gz WOMXOIRTMUFVPM-KOLCDFICSA-N 1 0 169.312 2.940 10 0 AFAERO CC[C@@H](CCCSC)[C@@H](C)[NH2+]C 129675349 573379976 /nfs/dbraw/zinc/37/99/76/573379976.db2.gz FARNAAHHSHWBOP-ZJUUUORDSA-N 1 0 189.368 2.764 10 0 AFAERO CCC(CC)[C@H]([NH3+])c1cncc(C)c1 133157985 573379999 /nfs/dbraw/zinc/37/99/99/573379999.db2.gz HYTQWXPBTFFXBY-LBPRGKRZSA-N 1 0 192.306 2.826 10 0 AFAERO CCC(CC)[C@@H]([NH3+])c1cncc(C)c1 133158194 573380123 /nfs/dbraw/zinc/38/01/23/573380123.db2.gz HYTQWXPBTFFXBY-GFCCVEGCSA-N 1 0 192.306 2.826 10 0 AFAERO CC[C@H](CCCSC)[C@@H](C)[NH2+]C 129675579 573380126 /nfs/dbraw/zinc/38/01/26/573380126.db2.gz FARNAAHHSHWBOP-NXEZZACHSA-N 1 0 189.368 2.764 10 0 AFAERO CC[C@@H](C)C[C@H]([NH3+])c1cncc(C)c1 133147675 573380147 /nfs/dbraw/zinc/38/01/47/573380147.db2.gz CYGOMCDNHVTFQI-SKDRFNHKSA-N 1 0 192.306 2.826 10 0 AFAERO CCCCC[C@H]([NH3+])c1cncc(C)c1 133158847 573380186 /nfs/dbraw/zinc/38/01/86/573380186.db2.gz RBWROGANRKUMMR-LBPRGKRZSA-N 1 0 192.306 2.970 10 0 AFAERO CCC[C@H](C)[C@H]([NH3+])CCC1CC1 129931659 573380208 /nfs/dbraw/zinc/38/02/08/573380208.db2.gz WOMXOIRTMUFVPM-GXSJLCMTSA-N 1 0 169.312 2.940 10 0 AFAERO C/C=C\CC[NH2+]CCc1ccccc1 308377086 573380213 /nfs/dbraw/zinc/38/02/13/573380213.db2.gz BCKGGSXYOKVENB-IHWYPQMZSA-N 1 0 189.302 2.785 10 0 AFAERO CCC(CC)[NH2+]CC[C@@H](C)SC 133194365 573383922 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199.338 2.580 10 0 AFAERO CCC[C@@H]1C[C@@H]1[NH2+]C[C@@H]1CCCS1 715787589 573386092 /nfs/dbraw/zinc/38/60/92/573386092.db2.gz FWCRQJSNUFTBMS-VWYCJHECSA-N 1 0 199.363 2.660 10 0 AFAERO CCC(CC)[NH2+]CC[C@H](C)SC 133194590 573386388 /nfs/dbraw/zinc/38/63/88/573386388.db2.gz OVBKLZUJINKGOM-VIFPVBQESA-N 1 0 189.368 2.906 10 0 AFAERO C[C@@H]([NH3+])c1cc2ccoc2cc1F 258012238 573386412 /nfs/dbraw/zinc/38/64/12/573386412.db2.gz NDVRQFKWHZDNOA-ZCFIWIBFSA-N 1 0 179.194 2.592 10 0 AFAERO CC[C@@]1(Cc2ccc(F)cc2)CC[NH2+]1 258011778 573388970 /nfs/dbraw/zinc/38/89/70/573388970.db2.gz FJCCRERTUBJCGD-LBPRGKRZSA-N 1 0 193.265 2.510 10 0 AFAERO [NH3+]CC[C@@H]1C[C@@H]1C1CCCCC1 107161860 573388986 /nfs/dbraw/zinc/38/89/86/573388986.db2.gz REBDGDYAMHCBTQ-GHMZBOCLSA-N 1 0 167.296 2.552 10 0 AFAERO [NH3+]CC[C@@H]1C[C@H]1C1CCCCC1 107161857 573388995 /nfs/dbraw/zinc/38/89/95/573388995.db2.gz REBDGDYAMHCBTQ-MNOVXSKESA-N 1 0 167.296 2.552 10 0 AFAERO F[C@@H](C1CCC1)[C@H]1CCCC[NH2+]C1 258011793 573389026 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2.848 10 0 AFAERO C[NH2+]CC1(Cc2ccc(C)o2)CCC1 259095364 573398140 /nfs/dbraw/zinc/39/81/40/573398140.db2.gz JOQKLWSKEGEQHW-UHFFFAOYSA-N 1 0 193.290 2.520 10 0 AFAERO CCCC[C@H](C)[NH2+][C@H]1CCC[C@@H]1OC 50371486 573398147 /nfs/dbraw/zinc/39/81/47/573398147.db2.gz KXAMXGMDIIHHQQ-SRVKXCTJSA-N 1 0 199.338 2.722 10 0 AFAERO [NH3+]CCC1=Cc2ccc(F)cc2CC1 107177143 573398180 /nfs/dbraw/zinc/39/81/80/573398180.db2.gz YZUYNCXZKLIQIC-UHFFFAOYSA-N 1 0 191.249 2.504 10 0 AFAERO CSc1c[nH+]c2ccccc2c1N 238387039 573398181 /nfs/dbraw/zinc/39/81/81/573398181.db2.gz QSRPLDPFQUSOGR-UHFFFAOYSA-N 1 0 190.271 2.539 10 0 AFAERO Cc1sccc1[C@@H]1CCC[NH2+]C1 107170115 573398186 /nfs/dbraw/zinc/39/81/86/573398186.db2.gz WFOFLLWEXPGEKU-SECBINFHSA-N 1 0 181.304 2.524 10 0 AFAERO CCc1cccc(C[C@H](C)C[NH2+]C)c1 133420198 573398195 /nfs/dbraw/zinc/39/81/95/573398195.db2.gz GAFWSKAAJOYPST-NSHDSACASA-N 1 0 191.318 2.647 10 0 AFAERO CCC[C@@H]1C[C@H]1[NH2+]CC1CCCC1 133312310 573398208 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257882529 573807304 /nfs/dbraw/zinc/80/73/04/573807304.db2.gz VSRYMCGTOWKJHP-JQWIXIFHSA-N 1 0 195.281 2.775 10 0 AFAERO CC[C@@H]1CC[NH2+][C@@H](CCCCOC)C1 131267878 573807306 /nfs/dbraw/zinc/80/73/06/573807306.db2.gz SCMPAZPFJNFVFN-NEPJUHHUSA-N 1 0 199.338 2.581 10 0 AFAERO Cc1c([C@@H]2CC[NH2+]2)ccc2c1CCC2 238515854 573807314 /nfs/dbraw/zinc/80/73/14/573807314.db2.gz LNSNYYVEMHPDPD-ZDUSSCGKSA-N 1 0 187.286 2.518 10 0 AFAERO CC[NH2+][C@H](Cc1ccco1)C1CCC1 131272011 573807344 /nfs/dbraw/zinc/80/73/44/573807344.db2.gz IEEKAPYLSDGOKG-GFCCVEGCSA-N 1 0 193.290 2.600 10 0 AFAERO CCC[C@H]([NH3+])C(CC)CC 87169875 573807401 /nfs/dbraw/zinc/80/74/01/573807401.db2.gz NSOYUXWFUXFZIN-VIFPVBQESA-N 1 0 143.274 2.550 10 0 AFAERO C[C@H](F)c1ccccc1CC(C)(C)[NH3+] 258138620 573807409 /nfs/dbraw/zinc/80/74/09/573807409.db2.gz SFBPPMMMQIEHIH-VIFPVBQESA-N 1 0 195.281 2.997 10 0 AFAERO CCC(CC)[C@@H]1CCC[C@H]1[NH3+] 87173610 573807446 /nfs/dbraw/zinc/80/74/46/573807446.db2.gz QVOQUSYHJLRFMZ-VHSXEESVSA-N 1 0 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FC1(C[NH2+]C[C@]23CCCC[C@H]2C3)CC1 922425365 630875402 /nfs/dbraw/zinc/87/54/02/630875402.db2.gz KYZDVKLKQSFFNY-WDEREUQCSA-N 1 0 197.297 2.658 10 0 AFAERO FC1(C[NH2+]CC[C@@H]2C[C@H]2C2CC2)CC1 922427564 630875505 /nfs/dbraw/zinc/87/55/05/630875505.db2.gz ZFYASFVLLMKBDX-MNOVXSKESA-N 1 0 197.297 2.514 10 0 AFAERO C[C@H]([NH2+][C@@H]1CCS[C@H](C)C1)C1CC1 922837265 630876493 /nfs/dbraw/zinc/87/64/93/630876493.db2.gz RSHCXBVEOVARRX-WCABBAIRSA-N 1 0 199.363 2.659 10 0 AFAERO CC[C@H](C)C[NH2+]C[C@]1(C)CCCCO1 922820497 630876986 /nfs/dbraw/zinc/87/69/86/630876986.db2.gz PYAOENHQYRQGNW-RYUDHWBXSA-N 1 0 199.338 2.581 10 0 AFAERO C[C@H]([NH2+][C@H]1CCS[C@H](C)C1)C1CC1 922837266 630877065 /nfs/dbraw/zinc/87/70/65/630877065.db2.gz RSHCXBVEOVARRX-YWVKMMECSA-N 1 0 199.363 2.659 10 0 AFAERO CC[C@@H](C)C[NH2+]C[C@@]1(C)CCCCO1 922820498 630877310 /nfs/dbraw/zinc/87/73/10/630877310.db2.gz PYAOENHQYRQGNW-VXGBXAGGSA-N 1 0 199.338 2.581 10 0 AFAERO C[C@@H]1C[C@H]([NH2+][C@H](C)C2CC2)CCS1 922837263 630877438 /nfs/dbraw/zinc/87/74/38/630877438.db2.gz RSHCXBVEOVARRX-FXPVBKGRSA-N 1 0 199.363 2.659 10 0 AFAERO C[C@@H]1C[C@@H]([NH2+][C@H](C)C2CC2)CCS1 922837264 630877541 /nfs/dbraw/zinc/87/75/41/630877541.db2.gz RSHCXBVEOVARRX-KKZNHRDASA-N 1 0 199.363 2.659 10 0 AFAERO CC[C@@H](C)C[NH2+]C[C@]1(C)CCCCO1 922820495 630877705 /nfs/dbraw/zinc/87/77/05/630877705.db2.gz PYAOENHQYRQGNW-NEPJUHHUSA-N 1 0 199.338 2.581 10 0 AFAERO CC(C)(C)C[NH2+]C[C@@]1(C)CCCCO1 922815664 630877851 /nfs/dbraw/zinc/87/78/51/630877851.db2.gz DXFIYXBEOHDADO-GFCCVEGCSA-N 1 0 199.338 2.581 10 0 AFAERO CC[C@H](C)C[NH2+]C[C@@]1(C)CCCCO1 922820496 630878161 /nfs/dbraw/zinc/87/81/61/630878161.db2.gz PYAOENHQYRQGNW-NWDGAFQWSA-N 1 0 199.338 2.581 10 0 AFAERO C[C@@H]1CC[C@H](C[NH2+]Cc2ccoc2)C1 230409902 630878196 /nfs/dbraw/zinc/87/81/96/630878196.db2.gz BXHBWTAXSCGBEN-MNOVXSKESA-N 1 0 193.290 2.805 10 0 AFAERO CC(C)(C)C[NH2+]C[C@]1(C)CCCCO1 922815670 630878111 /nfs/dbraw/zinc/87/81/11/630878111.db2.gz DXFIYXBEOHDADO-LBPRGKRZSA-N 1 0 199.338 2.581 10 0 AFAERO C[C@@H]1CC[C@@H](C[NH2+]Cc2ccoc2)C1 230409896 630878202 /nfs/dbraw/zinc/87/82/02/630878202.db2.gz BXHBWTAXSCGBEN-GHMZBOCLSA-N 1 0 193.290 2.805 10 0 AFAERO C[C@H]1CC[C@H](C[NH2+]Cc2ccoc2)C1 230409905 630878287 /nfs/dbraw/zinc/87/82/87/630878287.db2.gz BXHBWTAXSCGBEN-QWRGUYRKSA-N 1 0 193.290 2.805 10 0 AFAERO CC(C)([NH2+]Cc1ccoc1)C1CC1 230673659 630879509 /nfs/dbraw/zinc/87/95/09/630879509.db2.gz IDCIXEUKKZJUEZ-UHFFFAOYSA-N 1 0 179.263 2.558 10 0 AFAERO C/C=C/C[NH2+][C@@H](C)c1c(C)noc1C 230616796 630879675 /nfs/dbraw/zinc/87/96/75/630879675.db2.gz VHLBBCMMBJNSBD-GJIOHYHPSA-N 1 0 194.278 2.518 10 0 AFAERO CCCC(CCC)[NH2+]C1CC(OC)C1 230673058 630880237 /nfs/dbraw/zinc/88/02/37/630880237.db2.gz QSWNABMQFQQEQL-UHFFFAOYSA-N 1 0 199.338 2.722 10 0 AFAERO C[C@H]([NH2+][C@H]1C=CCC1)[C@@H]1CC1(C)C 700505010 630880672 /nfs/dbraw/zinc/88/06/72/630880672.db2.gz KOIQSFAVSWJCPT-DCAQKATOSA-N 1 0 179.307 2.729 10 0 AFAERO C/C=C/C[NH2+][C@H](C)c1c(C)noc1C 230616804 630880784 /nfs/dbraw/zinc/88/07/84/630880784.db2.gz VHLBBCMMBJNSBD-HQZHTGGTSA-N 1 0 194.278 2.518 10 0 AFAERO CCCC[C@H](C)[NH2+]CC1CSC1 700470439 630880801 /nfs/dbraw/zinc/88/08/01/630880801.db2.gz YDPLYLYGHDJGKU-VIFPVBQESA-N 1 0 187.352 2.518 10 0 AFAERO CCC(C)(C)C[NH2+]Cc1ccoc1 230646167 630881501 /nfs/dbraw/zinc/88/15/01/630881501.db2.gz GQYNLNVRDDSJKR-UHFFFAOYSA-N 1 0 181.279 2.805 10 0 AFAERO CC1(C)CCC[C@@H]1[NH2+]CC1CSC1 700539963 630881530 /nfs/dbraw/zinc/88/15/30/630881530.db2.gz AIWXPFYBLWYYDE-JTQLQIEISA-N 1 0 199.363 2.518 10 0 AFAERO CCCC[C@@H](C)[NH2+]CC1CSC1 700470438 630881639 /nfs/dbraw/zinc/88/16/39/630881639.db2.gz YDPLYLYGHDJGKU-SECBINFHSA-N 1 0 187.352 2.518 10 0 AFAERO C[C@H]([NH2+][C@@H]1C=CCC1)[C@@H]1CC1(C)C 700505008 630881675 /nfs/dbraw/zinc/88/16/75/630881675.db2.gz KOIQSFAVSWJCPT-AXFHLTTASA-N 1 0 179.307 2.729 10 0 AFAERO CCCCC[C@@H](C)[NH2+]C1CC(OC)C1 230673359 630881707 /nfs/dbraw/zinc/88/17/07/630881707.db2.gz ULBNRHWQCYWNIN-VOMCLLRMSA-N 1 0 199.338 2.722 10 0 AFAERO CCCCC[C@H](C)[NH2+]C1CC(OC)C1 230673361 630881800 /nfs/dbraw/zinc/88/18/00/630881800.db2.gz ULBNRHWQCYWNIN-UNXYVOJBSA-N 1 0 199.338 2.722 10 0 AFAERO CC1(C)CCC[C@H]1[NH2+]CC1CSC1 700539966 630881963 /nfs/dbraw/zinc/88/19/63/630881963.db2.gz AIWXPFYBLWYYDE-SNVBAGLBSA-N 1 0 199.363 2.518 10 0 AFAERO C[C@H]([NH2+][C@H]1C=CCC1)[C@H]1CC1(C)C 700505012 630882441 /nfs/dbraw/zinc/88/24/41/630882441.db2.gz KOIQSFAVSWJCPT-GARJFASQSA-N 1 0 179.307 2.729 10 0 AFAERO C[C@H]([NH2+][C@@H]1C=CCC1)[C@H]1CC1(C)C 700505015 630882550 /nfs/dbraw/zinc/88/25/50/630882550.db2.gz KOIQSFAVSWJCPT-HBNTYKKESA-N 1 0 179.307 2.729 10 0 AFAERO C[C@]1(C[NH2+][C@H]2C=CCC2)CCCS1 700602580 630883328 /nfs/dbraw/zinc/88/33/28/630883328.db2.gz KCKRYSOBDLPBNM-WDEREUQCSA-N 1 0 197.347 2.580 10 0 AFAERO C[C@@]1(C[NH2+][C@@H]2C=CCC2)CCCS1 700602574 630883452 /nfs/dbraw/zinc/88/34/52/630883452.db2.gz KCKRYSOBDLPBNM-MNOVXSKESA-N 1 0 197.347 2.580 10 0 AFAERO C[C@@]1(C[NH2+][C@H]2C=CCC2)CCCS1 700602576 630883564 /nfs/dbraw/zinc/88/35/64/630883564.db2.gz KCKRYSOBDLPBNM-QWRGUYRKSA-N 1 0 197.347 2.580 10 0 AFAERO C[C@]1(C[NH2+][C@@H]2C=CCC2)CCCS1 700602571 630883649 /nfs/dbraw/zinc/88/36/49/630883649.db2.gz KCKRYSOBDLPBNM-GHMZBOCLSA-N 1 0 197.347 2.580 10 0 AFAERO C[C@@H]1CCC[C@H]1C[NH2+]Cc1ccoc1 230662446 630883881 /nfs/dbraw/zinc/88/38/81/630883881.db2.gz HWAPSQJQDKSRCZ-PWSUYJOCSA-N 1 0 193.290 2.805 10 0 AFAERO CCCC[NH2+]C(C)(C1CC1)C1CC1 701094844 630884040 /nfs/dbraw/zinc/88/40/40/630884040.db2.gz QPHCPQYNNPAHPZ-UHFFFAOYSA-N 1 0 181.323 2.955 10 0 AFAERO CCCC[C@@H](CC)[NH2+]C1CC(OC)C1 230675105 630884566 /nfs/dbraw/zinc/88/45/66/630884566.db2.gz BNFNEZCKIKWFPL-VOMCLLRMSA-N 1 0 199.338 2.722 10 0 AFAERO C[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccoc1 230662440 630885231 /nfs/dbraw/zinc/88/52/31/630885231.db2.gz HWAPSQJQDKSRCZ-ZYHUDNBSSA-N 1 0 193.290 2.805 10 0 AFAERO C[C@H]1CCC[C@H]1C[NH2+]Cc1ccoc1 230662449 630885979 /nfs/dbraw/zinc/88/59/79/630885979.db2.gz HWAPSQJQDKSRCZ-JQWIXIFHSA-N 1 0 193.290 2.805 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/nfs/dbraw/zinc/88/83/52/630888352.db2.gz NUDSDTZCLNWNPC-GXSJLCMTSA-N 1 0 199.363 2.518 10 0 AFAERO CC1(C)C[C@]1(C)C[NH2+]Cc1ccco1 701989095 630888533 /nfs/dbraw/zinc/88/85/33/630888533.db2.gz WCNNROXOKZMELP-GFCCVEGCSA-N 1 0 193.290 2.805 10 0 AFAERO CCCCCC[NH2+][C@@H](C)c1cn[nH]c1 231043625 630888584 /nfs/dbraw/zinc/88/85/84/630888584.db2.gz XUGKKYCPDPTHLF-JTQLQIEISA-N 1 0 195.310 2.641 10 0 AFAERO CCO[C@]1(C[NH3+])CCC[C@H](C(C)C)C1 231020133 630888767 /nfs/dbraw/zinc/88/87/67/630888767.db2.gz VSJHWQHCRMXJQF-NWDGAFQWSA-N 1 0 199.338 2.567 10 0 AFAERO CC1(C)C[C@@]1(C)C[NH2+][C@@H]1CCSC1 701986263 630888815 /nfs/dbraw/zinc/88/88/15/630888815.db2.gz NUDSDTZCLNWNPC-KOLCDFICSA-N 1 0 199.363 2.518 10 0 AFAERO CC1(C)C[C@]1(C)[NH2+]Cc1ccoc1 702022218 630888975 /nfs/dbraw/zinc/88/89/75/630888975.db2.gz HMRHSXQTFYEMRM-NSHDSACASA-N 1 0 179.263 2.558 10 0 AFAERO CC1(C)C[C@@]1(C)C[NH2+]Cc1ccco1 701989096 630889071 /nfs/dbraw/zinc/88/90/71/630889071.db2.gz WCNNROXOKZMELP-LBPRGKRZSA-N 1 0 193.290 2.805 10 0 AFAERO CC1(C)C[C@@]1(C)C[NH2+][C@H]1CCSC1 701986277 630889112 /nfs/dbraw/zinc/88/91/12/630889112.db2.gz NUDSDTZCLNWNPC-ONGXEEELSA-N 1 0 199.363 2.518 10 0 AFAERO CC1(C)C[C@]1(C)C[NH2+]Cc1ccoc1 701981521 630889143 /nfs/dbraw/zinc/88/91/43/630889143.db2.gz BSEUAIKCXHZIOY-GFCCVEGCSA-N 1 0 193.290 2.805 10 0 AFAERO CC1(C)C[C@@]1(C)[NH2+]Cc1ccoc1 702022217 630889247 /nfs/dbraw/zinc/88/92/47/630889247.db2.gz HMRHSXQTFYEMRM-LLVKDONJSA-N 1 0 179.263 2.558 10 0 AFAERO CC1(C)C[C@@]1(C)C[NH2+]Cc1ccoc1 701981525 630889454 /nfs/dbraw/zinc/88/94/54/630889454.db2.gz BSEUAIKCXHZIOY-LBPRGKRZSA-N 1 0 193.290 2.805 10 0 AFAERO CC1(C)C[C@]1(C)C[NH2+]Cc1cc[nH]c1 701989090 630889475 /nfs/dbraw/zinc/88/94/75/630889475.db2.gz WAVUQWXVYMRZHF-GFCCVEGCSA-N 1 0 192.306 2.541 10 0 AFAERO C[C@@H](c1ccccc1)[N@H+]1C[C@H]2C[C@H]2C1 231398765 630889782 /nfs/dbraw/zinc/88/97/82/630889782.db2.gz ABYSOIMXQYNPGV-WCFLWFBJSA-N 1 0 187.286 2.699 10 0 AFAERO C[C@H]1CCC[C@@H]1[NH2+]C[C@@]12CCC[C@@H]1C2 922965065 630891895 /nfs/dbraw/zinc/89/18/95/630891895.db2.gz STRXFUIJLVGQOZ-RNJOBUHISA-N 1 0 193.334 2.955 10 0 AFAERO C[C@@H]([NH2+]C[C@@]12CCC[C@@H]1C2)C1CC1 922965106 630891973 /nfs/dbraw/zinc/89/19/73/630891973.db2.gz ZMLQKRPEDITBIU-JLLWLGSASA-N 1 0 179.307 2.565 10 0 AFAERO CCCC[NH2+]CCC1=CCCC1 231788834 630904335 /nfs/dbraw/zinc/90/43/35/630904335.db2.gz AYMLNIZZGDBVOG-UHFFFAOYSA-N 1 0 167.296 2.877 10 0 AFAERO CC1CCC([NH2+]CC2CSC2)CC1 700542562 630904925 /nfs/dbraw/zinc/90/49/25/630904925.db2.gz UQIQNAXTIFZDFZ-UHFFFAOYSA-N 1 0 199.363 2.518 10 0 AFAERO Cc1cc(C[NH+]2[C@@H](C)C[C@@H]2C)c(C)o1 793220180 630923279 /nfs/dbraw/zinc/92/32/79/630923279.db2.gz LHFFEELFJKRGEN-IUCAKERBSA-N 1 0 193.290 2.879 10 0 AFAERO Cc1cc(C[NH+]2[C@H](C)C[C@H]2C)c(C)o1 793220181 630925052 /nfs/dbraw/zinc/92/50/52/630925052.db2.gz LHFFEELFJKRGEN-RKDXNWHRSA-N 1 0 193.290 2.879 10 0 AFAERO C[N@H+](CCF)C(C)(C)c1ccccc1 792922515 630925600 /nfs/dbraw/zinc/92/56/00/630925600.db2.gz CFCXZGGHSSWBMM-UHFFFAOYSA-N 1 0 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CCC(CC)[NH2+]CCC[C@@H](C)OC 685960847 537865166 /nfs/dbraw/zinc/86/51/66/537865166.db2.gz FHXBZSPVFFWWPJ-SNVBAGLBSA-N 1 0 187.327 2.580 10 0 AFAERO CCC(C)(C)[NH2+]CCC[C@@H](C)OC 685960803 537865279 /nfs/dbraw/zinc/86/52/79/537865279.db2.gz CSXZSSJHSWGSHH-SNVBAGLBSA-N 1 0 187.327 2.580 10 0 AFAERO CC(C)(C)C[C@H]([NH3+])CC(F)(F)F 74299523 537865907 /nfs/dbraw/zinc/86/59/07/537865907.db2.gz KBKVHQHZRGPFAT-LURJTMIESA-N 1 0 183.217 2.702 10 0 AFAERO CCC[NH2+]CCC1(CCOC)CCC1 685961956 537866857 /nfs/dbraw/zinc/86/68/57/537866857.db2.gz ZKJJOOUODFFQET-UHFFFAOYSA-N 1 0 199.338 2.583 10 0 AFAERO CC(C)(C)C[C@@H]([NH3+])CC(F)(F)F 74299525 537868165 /nfs/dbraw/zinc/86/81/65/537868165.db2.gz KBKVHQHZRGPFAT-ZCFIWIBFSA-N 1 0 183.217 2.702 10 0 AFAERO CCc1oc(C(C)(C)C)cc1C[NH3+] 77075893 537870133 /nfs/dbraw/zinc/87/01/33/537870133.db2.gz AZMFHMCYDXYEHC-UHFFFAOYSA-N 1 0 181.279 2.598 10 0 AFAERO CCCc1oc(C(C)C)cc1C[NH3+] 77080480 537870247 /nfs/dbraw/zinc/87/02/47/537870247.db2.gz ZSIZNETYKONABO-UHFFFAOYSA-N 1 0 181.279 2.814 10 0 AFAERO CC(C)c1cc(C[NH3+])c(C2CC2)o1 77082548 537870891 /nfs/dbraw/zinc/87/08/91/537870891.db2.gz SINGLTZQQVFRHF-UHFFFAOYSA-N 1 0 179.263 2.739 10 0 AFAERO CC(C)(C)c1cc(C[NH3+])c(C2CC2)o1 77082640 537871283 /nfs/dbraw/zinc/87/12/83/537871283.db2.gz HKICHFNBPMOODR-UHFFFAOYSA-N 1 0 193.290 2.913 10 0 AFAERO Cc1cccc2c(C[NH3+])csc12 75884223 537871986 /nfs/dbraw/zinc/87/19/86/537871986.db2.gz LHCYSJGVLMRGPX-UHFFFAOYSA-N 1 0 177.272 2.668 10 0 AFAERO CC(C)c1cc(C[NH3+])c(C(C)C)o1 77078411 537872354 /nfs/dbraw/zinc/87/23/54/537872354.db2.gz NNMUWKMPBLFYFS-UHFFFAOYSA-N 1 0 181.279 2.985 10 0 AFAERO CCCc1oc(C(C)(C)C)cc1C[NH3+] 77080570 537872810 /nfs/dbraw/zinc/87/28/10/537872810.db2.gz FIRFXCFBKNJSKP-UHFFFAOYSA-N 1 0 195.306 2.988 10 0 AFAERO CCC1(C[NH3+])CCC(C)(C)CC1 77263449 537873189 /nfs/dbraw/zinc/87/31/89/537873189.db2.gz DGSFZAKQXBKUNR-UHFFFAOYSA-N 1 0 169.312 2.942 10 0 AFAERO CCCC[NH2+]CCCCC1CC1 78522565 537875294 /nfs/dbraw/zinc/87/52/94/537875294.db2.gz OWLXQVOSDWBNDR-UHFFFAOYSA-N 1 0 169.312 2.956 10 0 AFAERO C=C(OCC)c1ccccc1[C@@H](C)[NH3+] 685965260 537875850 /nfs/dbraw/zinc/87/58/50/537875850.db2.gz WHJLYTNRYUHILA-SECBINFHSA-N 1 0 191.274 2.714 10 0 AFAERO CC[C@@H](C)[C@@]1(C)[NH2+]CCc2occc21 709999640 537875804 /nfs/dbraw/zinc/87/58/04/537875804.db2.gz GAKFOLQKLHTPQT-BXKDBHETSA-N 1 0 193.290 2.687 10 0 AFAERO C=C(OCC)c1cccc([C@@H](C)[NH3+])c1 685965119 537876390 /nfs/dbraw/zinc/87/63/90/537876390.db2.gz PJADKEWUMDWAKU-SECBINFHSA-N 1 0 191.274 2.714 10 0 AFAERO C=C(OCC)c1ccc([C@@H](C)[NH3+])cc1 685965293 537876922 /nfs/dbraw/zinc/87/69/22/537876922.db2.gz YJYXIPALVRQSAX-SECBINFHSA-N 1 0 191.274 2.714 10 0 AFAERO C=C(OCC)c1ccccc1[C@H](C)[NH3+] 685965261 537877077 /nfs/dbraw/zinc/87/70/77/537877077.db2.gz WHJLYTNRYUHILA-VIFPVBQESA-N 1 0 191.274 2.714 10 0 AFAERO CC[C@H](C)[C@@]1(C)[NH2+]CCc2occc21 709999648 537877331 /nfs/dbraw/zinc/87/73/31/537877331.db2.gz GAKFOLQKLHTPQT-JOYOIKCWSA-N 1 0 193.290 2.687 10 0 AFAERO C=C(OCC)c1cccc([C@H](C)[NH3+])c1 685965120 537877651 /nfs/dbraw/zinc/87/76/51/537877651.db2.gz PJADKEWUMDWAKU-VIFPVBQESA-N 1 0 191.274 2.714 10 0 AFAERO CC[C@H](C)[C@]1(C)[NH2+]CCc2occc21 709999644 537878388 /nfs/dbraw/zinc/87/83/88/537878388.db2.gz GAKFOLQKLHTPQT-CABZTGNLSA-N 1 0 193.290 2.687 10 0 AFAERO C=C(OCC)c1ccc([C@H](C)[NH3+])cc1 685965294 537878493 /nfs/dbraw/zinc/87/84/93/537878493.db2.gz YJYXIPALVRQSAX-VIFPVBQESA-N 1 0 191.274 2.714 10 0 AFAERO C[C@@H]1C[C@@H]1[C@@H]1[NH2+]CCc2ccsc21 712526195 537879012 /nfs/dbraw/zinc/87/90/12/537879012.db2.gz DRULGIRPNROMSE-JEZHCXPESA-N 1 0 193.315 2.591 10 0 AFAERO CC[C@@]1(C)[NH2+]CCc2ccsc21 712526648 537879028 /nfs/dbraw/zinc/87/90/28/537879028.db2.gz RXGJBQIMUYZOIR-SNVBAGLBSA-N 1 0 181.304 2.519 10 0 AFAERO CC[C@]1(C)[NH2+]CCc2ccsc21 712526350 537879082 /nfs/dbraw/zinc/87/90/82/537879082.db2.gz RXGJBQIMUYZOIR-JTQLQIEISA-N 1 0 181.304 2.519 10 0 AFAERO C[C@]1(C2CC2)[NH2+]CCc2ccsc21 712567677 537879437 /nfs/dbraw/zinc/87/94/37/537879437.db2.gz VFCPBDYLIDMYFO-LLVKDONJSA-N 1 0 193.315 2.519 10 0 AFAERO CC1([C@H]2[NH2+]CCc3ccsc32)CC1 712515343 537879513 /nfs/dbraw/zinc/87/95/13/537879513.db2.gz KQODWYHTWRJLPO-JTQLQIEISA-N 1 0 193.315 2.735 10 0 AFAERO CC1([C@@H]2[NH2+]CCc3ccsc32)CC1 712515347 537880281 /nfs/dbraw/zinc/88/02/81/537880281.db2.gz KQODWYHTWRJLPO-SNVBAGLBSA-N 1 0 193.315 2.735 10 0 AFAERO C[C@H]1CC[C@]12[NH2+]CCc1ccsc12 712545589 537880554 /nfs/dbraw/zinc/88/05/54/537880554.db2.gz SJUNYRUAMPMCRC-KWQFWETISA-N 1 0 193.315 2.519 10 0 AFAERO C[C@@H]1C[C@@H]1[C@H]1[NH2+]CCc2ccsc21 712526192 537880647 /nfs/dbraw/zinc/88/06/47/537880647.db2.gz DRULGIRPNROMSE-FKTZTGRPSA-N 1 0 193.315 2.591 10 0 AFAERO C[C@@H]1C[C@H]1[C@@H]1[NH2+]CCc2ccsc21 712526200 537880932 /nfs/dbraw/zinc/88/09/32/537880932.db2.gz DRULGIRPNROMSE-QNSHHTMESA-N 1 0 193.315 2.591 10 0 AFAERO C[C@@H]1CC[C@@]12[NH2+]CCc1ccsc12 712545592 537881062 /nfs/dbraw/zinc/88/10/62/537881062.db2.gz SJUNYRUAMPMCRC-LDYMZIIASA-N 1 0 193.315 2.519 10 0 AFAERO CC[C@@H](C)[C@]1(C)[NH2+]CCc2occc21 709999652 537881391 /nfs/dbraw/zinc/88/13/91/537881391.db2.gz GAKFOLQKLHTPQT-SKDRFNHKSA-N 1 0 193.290 2.687 10 0 AFAERO CC1CC2(C1)[NH2+]CCc1ccsc12 712545228 537881886 /nfs/dbraw/zinc/88/18/86/537881886.db2.gz BPCPQEJYBVYDNR-UHFFFAOYSA-N 1 0 193.315 2.519 10 0 AFAERO C[C@@H]1C[C@H]1[C@H]1[NH2+]CCc2ccsc21 712526205 537882129 /nfs/dbraw/zinc/88/21/29/537882129.db2.gz DRULGIRPNROMSE-SZEHBUNVSA-N 1 0 193.315 2.591 10 0 AFAERO C[C@@H]1CC[C@]12[NH2+]CCc1ccsc12 712545585 537882466 /nfs/dbraw/zinc/88/24/66/537882466.db2.gz SJUNYRUAMPMCRC-KCJUWKMLSA-N 1 0 193.315 2.519 10 0 AFAERO C[C@H]1CC[C@@]12[NH2+]CCc1ccsc12 712545582 537882573 /nfs/dbraw/zinc/88/25/73/537882573.db2.gz SJUNYRUAMPMCRC-GZMMTYOYSA-N 1 0 193.315 2.519 10 0 AFAERO C[C@@]1(C2CC2)[NH2+]CCc2ccsc21 712567681 537882582 /nfs/dbraw/zinc/88/25/82/537882582.db2.gz VFCPBDYLIDMYFO-NSHDSACASA-N 1 0 193.315 2.519 10 0 AFAERO CC(C)(C)[C@@H](C[NH3+])CC(F)(F)F 82718815 537885464 /nfs/dbraw/zinc/88/54/64/537885464.db2.gz TVJYSFFRDSOZOW-ZCFIWIBFSA-N 1 0 183.217 2.560 10 0 AFAERO CC(C)(C)[C@H](C[NH3+])CC(F)(F)F 82718813 537886835 /nfs/dbraw/zinc/88/68/35/537886835.db2.gz TVJYSFFRDSOZOW-LURJTMIESA-N 1 0 183.217 2.560 10 0 AFAERO C1=CCC[C@H]([NH2+]CC2CC2)CCC1 725241405 537887048 /nfs/dbraw/zinc/88/70/48/537887048.db2.gz FBGOVRXCNVIBEK-LBPRGKRZSA-N 1 0 179.307 2.875 10 0 AFAERO C1=CCC[C@@H]([NH2+]CC2CC2)CCC1 725241398 537889443 /nfs/dbraw/zinc/88/94/43/537889443.db2.gz FBGOVRXCNVIBEK-GFCCVEGCSA-N 1 0 179.307 2.875 10 0 AFAERO CCC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]2CC1 725241881 537890543 /nfs/dbraw/zinc/89/05/43/537890543.db2.gz VFDPTGSGNDRVPF-GRYCIOLGSA-N 1 0 181.323 2.955 10 0 AFAERO CCC[NH2+][C@@H]1CCC=CCCC1 725241816 537891829 /nfs/dbraw/zinc/89/18/29/537891829.db2.gz QXZUBABDKJKTJM-LLVKDONJSA-N 1 0 167.296 2.875 10 0 AFAERO CCC[NH2+][C@H]1CCC=CCCC1 725241817 537892049 /nfs/dbraw/zinc/89/20/49/537892049.db2.gz QXZUBABDKJKTJM-NSHDSACASA-N 1 0 167.296 2.875 10 0 AFAERO C1C[C@H]([NH2+]CC2CC2)CC[C@@H]2C[C@@H]2C1 725241928 537892201 /nfs/dbraw/zinc/89/22/01/537892201.db2.gz WUJGBUXJKFEOHR-XQQFMLRXSA-N 1 0 193.334 2.955 10 0 AFAERO CCC[NH2+][C@@H]1CCC[C@@H]2C[C@H]2CC1 725241882 537892566 /nfs/dbraw/zinc/89/25/66/537892566.db2.gz VFDPTGSGNDRVPF-IJLUTSLNSA-N 1 0 181.323 2.955 10 0 AFAERO CCC[NH2+][C@@H]1CCC[C@H]2C[C@@H]2CC1 725241884 537892955 /nfs/dbraw/zinc/89/29/55/537892955.db2.gz VFDPTGSGNDRVPF-SDDRHHMPSA-N 1 0 181.323 2.955 10 0 AFAERO C1C[C@H]([NH2+]CC2CC2)CC[C@@H]2C[C@H]2C1 725241927 537893543 /nfs/dbraw/zinc/89/35/43/537893543.db2.gz WUJGBUXJKFEOHR-UPJWGTAASA-N 1 0 193.334 2.955 10 0 AFAERO C1C[C@H]([NH2+]CC2CC2)CC[C@H]2C[C@H]2C1 725241925 537893758 /nfs/dbraw/zinc/89/37/58/537893758.db2.gz WUJGBUXJKFEOHR-AGIUHOORSA-N 1 0 193.334 2.955 10 0 AFAERO CCC[NH2+][C@@H]1CCC[C@H]2C[C@H]2CC1 725241883 537893862 /nfs/dbraw/zinc/89/38/62/537893862.db2.gz VFDPTGSGNDRVPF-QJPTWQEYSA-N 1 0 181.323 2.955 10 0 AFAERO C1C[C@H]([NH2+]CC2CC2)CC[C@H]2C[C@@H]2C1 725241926 537893955 /nfs/dbraw/zinc/89/39/55/537893955.db2.gz WUJGBUXJKFEOHR-AVGNSLFASA-N 1 0 193.334 2.955 10 0 AFAERO COCCC1(C[NH2+]C(C)(C)C)CCC1 83571026 537904310 /nfs/dbraw/zinc/90/43/10/537904310.db2.gz QWQYTLNVYNVUDN-UHFFFAOYSA-N 1 0 199.338 2.581 10 0 AFAERO CC(C)(C)[C@@H]1CC[C@@H]2[NH2+]CC[C@@H]2C1 84336549 537910326 /nfs/dbraw/zinc/91/03/26/537910326.db2.gz CHKWWJXLCKXKLB-MXWKQRLJSA-N 1 0 181.323 2.811 10 0 AFAERO Cc1cc2occ(C[NH3+])c2cc1C 84767093 537911308 /nfs/dbraw/zinc/91/13/08/537911308.db2.gz UYHJCXOFIYFHJE-UHFFFAOYSA-N 1 0 175.231 2.508 10 0 AFAERO CC(C)(C)[C@@H]1CC[C@H]2[NH2+]CC[C@@H]2C1 84336545 537911419 /nfs/dbraw/zinc/91/14/19/537911419.db2.gz CHKWWJXLCKXKLB-GMTAPVOTSA-N 1 0 181.323 2.811 10 0 AFAERO CCCc1ccc(C)c(C[NH3+])c1C 725254217 537917038 /nfs/dbraw/zinc/91/70/38/537917038.db2.gz VGOLWHDWRNBXSU-UHFFFAOYSA-N 1 0 177.291 2.715 10 0 AFAERO CCCc1c(C)ccc(C[NH3+])c1F 725254221 537918175 /nfs/dbraw/zinc/91/81/75/537918175.db2.gz VSXPVEPPVWGUFC-UHFFFAOYSA-N 1 0 181.254 2.545 10 0 AFAERO C[C@@H]1CC[C@H]([NH3+])[C@@H](C(F)(F)F)CC1 725255961 537920845 /nfs/dbraw/zinc/92/08/45/537920845.db2.gz LTKQTOYSKKWTOT-FXQIFTODSA-N 1 0 195.228 2.702 10 0 AFAERO CCC(C)(C)[C@H]1CC[NH2+][C@@H](OC)CC1 725256614 537921338 /nfs/dbraw/zinc/92/13/38/537921338.db2.gz YBMDSVLZOGVJDR-MNOVXSKESA-N 1 0 199.338 2.785 10 0 AFAERO CCC(C)(C)[C@@H]1CC[NH2+][C@@H](OC)CC1 725256615 537921804 /nfs/dbraw/zinc/92/18/04/537921804.db2.gz YBMDSVLZOGVJDR-QWRGUYRKSA-N 1 0 199.338 2.785 10 0 AFAERO CCC(C)(C)[C@@H]1CC[NH2+][C@H](OC)CC1 725256616 537922108 /nfs/dbraw/zinc/92/21/08/537922108.db2.gz YBMDSVLZOGVJDR-WDEREUQCSA-N 1 0 199.338 2.785 10 0 AFAERO C[C@H]1CC[C@H](C(F)(F)F)[C@H]([NH3+])CC1 725255960 537922492 /nfs/dbraw/zinc/92/24/92/537922492.db2.gz LTKQTOYSKKWTOT-BIIVOSGPSA-N 1 0 195.228 2.702 10 0 AFAERO C[C@@H]1CC[C@H]([NH3+])[C@H](C(F)(F)F)CC1 725255962 537922571 /nfs/dbraw/zinc/92/25/71/537922571.db2.gz LTKQTOYSKKWTOT-RNJXMRFFSA-N 1 0 195.228 2.702 10 0 AFAERO CCC(C)(C)[C@H]1CC[NH2+][C@H](OC)CC1 725256613 537922887 /nfs/dbraw/zinc/92/28/87/537922887.db2.gz YBMDSVLZOGVJDR-GHMZBOCLSA-N 1 0 199.338 2.785 10 0 AFAERO C[C@@H]1CC[C@@H]([NH3+])[C@H](C(F)(F)F)CC1 725255963 537923359 /nfs/dbraw/zinc/92/33/59/537923359.db2.gz LTKQTOYSKKWTOT-XLPZGREQSA-N 1 0 195.228 2.702 10 0 AFAERO CC1(C)C[C@H]2[NH2+]CC[C@@H]2C(C)(C)C1 725261715 537924464 /nfs/dbraw/zinc/92/44/64/537924464.db2.gz DGAGPCMOSITMMF-VHSXEESVSA-N 1 0 181.323 2.811 10 0 AFAERO CC1(C)CCC[C@H](C(C)(C)[NH3+])C1 725261461 537924902 /nfs/dbraw/zinc/92/49/02/537924902.db2.gz QGRUISIFKLSXLU-VIFPVBQESA-N 1 0 169.312 2.940 10 0 AFAERO CC1(C)C[C@@H]2[NH2+]CC[C@H]2C(C)(C)C1 725261716 537925436 /nfs/dbraw/zinc/92/54/36/537925436.db2.gz DGAGPCMOSITMMF-ZJUUUORDSA-N 1 0 181.323 2.811 10 0 AFAERO CC1(C)C[C@H]2[NH2+]CC[C@H]2C(C)(C)C1 725261713 537926025 /nfs/dbraw/zinc/92/60/25/537926025.db2.gz DGAGPCMOSITMMF-NXEZZACHSA-N 1 0 181.323 2.811 10 0 AFAERO CC(C)(C[NH3+])[C@@H]1CC2CCC1CC2 725261473 537926095 /nfs/dbraw/zinc/92/60/95/537926095.db2.gz RBNGJPNWZGICQG-VQXHTEKXSA-N 1 0 181.323 2.798 10 0 AFAERO CC1(C)CCC[C@@H](C(C)(C)[NH3+])C1 725261460 537926507 /nfs/dbraw/zinc/92/65/07/537926507.db2.gz QGRUISIFKLSXLU-SECBINFHSA-N 1 0 169.312 2.940 10 0 AFAERO CC(C)(C[NH3+])[C@H]1CC2CCC1CC2 725261472 537926562 /nfs/dbraw/zinc/92/65/62/537926562.db2.gz RBNGJPNWZGICQG-ILDUYXDCSA-N 1 0 181.323 2.798 10 0 AFAERO CC1(C)C[C@@H]2[NH2+]CC[C@@H]2C(C)(C)C1 725261714 537926593 /nfs/dbraw/zinc/92/65/93/537926593.db2.gz DGAGPCMOSITMMF-UWVGGRQHSA-N 1 0 181.323 2.811 10 0 AFAERO CCC[C@@H]1CC[C@H]2[NH2+]CC[C@@H]2C1 725261956 537928462 /nfs/dbraw/zinc/92/84/62/537928462.db2.gz OIFCABPWPDVQMD-GMTAPVOTSA-N 1 0 167.296 2.565 10 0 AFAERO CCC[C@@H]1CC[C@@H]2[NH2+]CC[C@H]2C1 725261959 537928730 /nfs/dbraw/zinc/92/87/30/537928730.db2.gz OIFCABPWPDVQMD-VWYCJHECSA-N 1 0 167.296 2.565 10 0 AFAERO CCC[C@@H]1CC[C@H]2[NH2+]CC[C@H]2C1 725261958 537929600 /nfs/dbraw/zinc/92/96/00/537929600.db2.gz OIFCABPWPDVQMD-OUAUKWLOSA-N 1 0 167.296 2.565 10 0 AFAERO CCC[C@@H]1CC[C@@H]2[NH2+]CC[C@@H]2C1 725261957 537930261 /nfs/dbraw/zinc/93/02/61/537930261.db2.gz OIFCABPWPDVQMD-MXWKQRLJSA-N 1 0 167.296 2.565 10 0 AFAERO CC1(C)C(C)(C)C1(C)[NH2+]CC1CC1 725271894 537934000 /nfs/dbraw/zinc/93/40/00/537934000.db2.gz VSPHQGYJBXTUDH-UHFFFAOYSA-N 1 0 181.323 2.811 10 0 AFAERO CCC[NH2+]C1(C)C(C)(C)C1(C)C 725270594 537934515 /nfs/dbraw/zinc/93/45/15/537934515.db2.gz BRMFVJGZTAFDRH-UHFFFAOYSA-N 1 0 169.312 2.811 10 0 AFAERO C[C@]1([NH3+])CC=C(C2CCC2)CC1 725273141 537935802 /nfs/dbraw/zinc/93/58/02/537935802.db2.gz VLOUPROCDVIJCG-NSHDSACASA-N 1 0 165.280 2.614 10 0 AFAERO CC(C)CC1(C2([NH3+])CC2)CCC1 725273080 537936302 /nfs/dbraw/zinc/93/63/02/537936302.db2.gz QHUHVJMOPKJUEK-UHFFFAOYSA-N 1 0 167.296 2.694 10 0 AFAERO C[C@@]1([NH3+])CC=C(C2CCC2)CC1 725273140 537936432 /nfs/dbraw/zinc/93/64/32/537936432.db2.gz VLOUPROCDVIJCG-LLVKDONJSA-N 1 0 165.280 2.614 10 0 AFAERO CC(C)(C)C1=CC[C@](C)([NH3+])CC1 725272583 537936722 /nfs/dbraw/zinc/93/67/22/537936722.db2.gz QHCXFBONRRWURB-NSHDSACASA-N 1 0 167.296 2.860 10 0 AFAERO CC(C)(C)C1=CC[C@@](C)([NH3+])CC1 725272582 537937567 /nfs/dbraw/zinc/93/75/67/537937567.db2.gz QHCXFBONRRWURB-LLVKDONJSA-N 1 0 167.296 2.860 10 0 AFAERO Cc1ccc(C2([NH3+])CCC2)c(C)c1 96863017 537944815 /nfs/dbraw/zinc/94/48/15/537944815.db2.gz ZUEXQPMJDRNNFL-UHFFFAOYSA-N 1 0 175.275 2.641 10 0 AFAERO CCC[NH2+]CC1CCC(F)(F)CC1 127065529 537980251 /nfs/dbraw/zinc/98/02/51/537980251.db2.gz MVOXSWDBXCLDNJ-UHFFFAOYSA-N 1 0 191.265 2.812 10 0 AFAERO CC[N@H+](C)Cc1ccc(Cl)cc1 139758595 537990918 /nfs/dbraw/zinc/99/09/18/537990918.db2.gz FSQMIRHDBZFFEP-UHFFFAOYSA-N 1 0 183.682 2.792 10 0 AFAERO CC[N@H+](C)C[C@@H](C)CC(C)C 142262413 537992725 /nfs/dbraw/zinc/99/27/25/537992725.db2.gz LSCQFTSSFIXJAQ-JTQLQIEISA-N 1 0 157.301 2.620 10 0 AFAERO CC(C)[C@H]1CC[N@@H+]1Cc1ccccc1 141859750 537992816 /nfs/dbraw/zinc/99/28/16/537992816.db2.gz GUXSDJVZRHAHJC-CYBMUJFWSA-N 1 0 189.302 2.917 10 0 AFAERO CC(C)C[N@@H+]1CC[C@@H](C(C)C)C1 140919152 537993386 /nfs/dbraw/zinc/99/33/86/537993386.db2.gz LCVNHFSMJUVQLJ-LLVKDONJSA-N 1 0 169.312 2.620 10 0 AFAERO CCC[N@H+](CC)Cc1ccccc1 142514940 537994378 /nfs/dbraw/zinc/99/43/78/537994378.db2.gz OUPUQDFIGMFKDF-UHFFFAOYSA-N 1 0 177.291 2.919 10 0 AFAERO CC[N@H+](C)C[C@H](C)CC(C)C 142262647 537994461 /nfs/dbraw/zinc/99/44/61/537994461.db2.gz LSCQFTSSFIXJAQ-SNVBAGLBSA-N 1 0 157.301 2.620 10 0 AFAERO CC(C)C[N@@H+]1CC[C@H](C(C)C)C1 140918945 537994630 /nfs/dbraw/zinc/99/46/30/537994630.db2.gz LCVNHFSMJUVQLJ-NSHDSACASA-N 1 0 169.312 2.620 10 0 AFAERO CC(C)[C@@H]1CC[N@@H+]1Cc1ccccc1 141859531 537996045 /nfs/dbraw/zinc/99/60/45/537996045.db2.gz GUXSDJVZRHAHJC-ZDUSSCGKSA-N 1 0 189.302 2.917 10 0 AFAERO CC1(C)CC[C@@H]([NH3+])CC(C)(C)C1 146929991 537997949 /nfs/dbraw/zinc/99/79/49/537997949.db2.gz IJLMMNXNGUCJRZ-SECBINFHSA-N 1 0 169.312 2.940 10 0 AFAERO C1=CC[C@H](C[NH+]2CCCCC2)CC1 145345762 537998950 /nfs/dbraw/zinc/99/89/50/537998950.db2.gz FPBLAPBFWKRYBI-LBPRGKRZSA-N 1 0 179.307 2.829 10 0 AFAERO CC[N@@H+]1CC[C@H](c2ccc(C)cc2)C1 144887095 537999698 /nfs/dbraw/zinc/99/96/98/537999698.db2.gz QRZDCVYLNYSBJW-ZDUSSCGKSA-N 1 0 189.302 2.804 10 0 AFAERO C[C@@H]1CCC[N@@H+]1CCC(C)(C)C 145553197 538000273 /nfs/dbraw/zinc/00/02/73/538000273.db2.gz BQIJDIATJXCNDN-SNVBAGLBSA-N 1 0 169.312 2.907 10 0 AFAERO CC[N@@H+]1CC[C@@H](c2ccc(C)cc2)C1 144887288 538001364 /nfs/dbraw/zinc/00/13/64/538001364.db2.gz QRZDCVYLNYSBJW-CYBMUJFWSA-N 1 0 189.302 2.804 10 0 AFAERO C1=CC[C@@H](C[NH+]2CCCCC2)CC1 145345976 538001713 /nfs/dbraw/zinc/00/17/13/538001713.db2.gz FPBLAPBFWKRYBI-GFCCVEGCSA-N 1 0 179.307 2.829 10 0 AFAERO CC1(C)CC[C@H]([NH3+])CC(C)(C)C1 146929815 538001726 /nfs/dbraw/zinc/00/17/26/538001726.db2.gz IJLMMNXNGUCJRZ-VIFPVBQESA-N 1 0 169.312 2.940 10 0 AFAERO CC(C)[NH+]1C[C@@H]2CCCC[C@H]2C1 148286638 538002800 /nfs/dbraw/zinc/00/28/00/538002800.db2.gz WYFTWUZTVRFSQF-QWRGUYRKSA-N 1 0 167.296 2.517 10 0 AFAERO CCC[C@@H](C)C[NH+](CC)CC 147146708 538003867 /nfs/dbraw/zinc/00/38/67/538003867.db2.gz PTMPMFIGAZXBOH-SNVBAGLBSA-N 1 0 157.301 2.764 10 0 AFAERO CCC[C@H](C)C[NH+](CC)CC 147146893 538003886 /nfs/dbraw/zinc/00/38/86/538003886.db2.gz PTMPMFIGAZXBOH-JTQLQIEISA-N 1 0 157.301 2.764 10 0 AFAERO CC(C)[NH+]1C[C@H]2CCCC[C@@H]2C1 148286455 538005890 /nfs/dbraw/zinc/00/58/90/538005890.db2.gz WYFTWUZTVRFSQF-GHMZBOCLSA-N 1 0 167.296 2.517 10 0 AFAERO CC(C)C[NH+]1C[C@H]2CCCC[C@@H]2C1 149371231 538006406 /nfs/dbraw/zinc/00/64/06/538006406.db2.gz CPTKCUKSLBUNOS-VXGBXAGGSA-N 1 0 181.323 2.764 10 0 AFAERO CC(C)C[NH+]1C[C@@H]2CCCC[C@H]2C1 149371457 538007110 /nfs/dbraw/zinc/00/71/10/538007110.db2.gz CPTKCUKSLBUNOS-RYUDHWBXSA-N 1 0 181.323 2.764 10 0 AFAERO CC[C@H](C)[NH+]1C[C@H]2CCCC[C@@H]2C1 148777876 538007620 /nfs/dbraw/zinc/00/76/20/538007620.db2.gz LHNUDKFDIBQVIL-QJPTWQEYSA-N 1 0 181.323 2.907 10 0 AFAERO CCCC[N@H+](C)CCc1ccccc1 149634136 538007631 /nfs/dbraw/zinc/00/76/31/538007631.db2.gz RHJWWXJNHBLTDP-UHFFFAOYSA-N 1 0 191.318 2.961 10 0 AFAERO CC[N@H+](C)C[C@@H]1CCCC[C@@H]1C 149754179 538007788 /nfs/dbraw/zinc/00/77/88/538007788.db2.gz RPWSKWYWOFTLJI-QWRGUYRKSA-N 1 0 169.312 2.764 10 0 AFAERO COC[C@H]1CCC[N@@H+]1CCC(C)(C)C 149466809 538008600 /nfs/dbraw/zinc/00/86/00/538008600.db2.gz GLBBPYOWZGLSPR-LLVKDONJSA-N 1 0 199.338 2.533 10 0 AFAERO CC[NH+](CC)CCCOC(C)(C)C 149384516 538009525 /nfs/dbraw/zinc/00/95/25/538009525.db2.gz GALVZSBZOGQSHM-UHFFFAOYSA-N 1 0 187.327 2.533 10 0 AFAERO COC[C@@H]1CCC[N@@H+]1CCC(C)(C)C 149466617 538009757 /nfs/dbraw/zinc/00/97/57/538009757.db2.gz GLBBPYOWZGLSPR-NSHDSACASA-N 1 0 199.338 2.533 10 0 AFAERO CC[N@H+](C)C[C@H]1CCCC[C@@H]1C 149754368 538010699 /nfs/dbraw/zinc/01/06/99/538010699.db2.gz RPWSKWYWOFTLJI-WDEREUQCSA-N 1 0 169.312 2.764 10 0 AFAERO Cc1c[nH+]ccc1NCCCC1CC1 157049721 538012733 /nfs/dbraw/zinc/01/27/33/538012733.db2.gz BNWNSLDWGAAIII-UHFFFAOYSA-N 1 0 190.290 2.992 10 0 AFAERO Cc1cccc(NCCCC2CC2)[nH+]1 157050360 538013361 /nfs/dbraw/zinc/01/33/61/538013361.db2.gz IPVMVCGCRSPUGT-UHFFFAOYSA-N 1 0 190.290 2.992 10 0 AFAERO Cc1cc(NCCCC2CC2)cc[nH+]1 157050844 538014823 /nfs/dbraw/zinc/01/48/23/538014823.db2.gz VMAOQZFFFNQBSE-UHFFFAOYSA-N 1 0 190.290 2.992 10 0 AFAERO C[C@@H]([NH2+]C1CC=CC1)c1ccco1 157344592 538021487 /nfs/dbraw/zinc/02/14/87/538021487.db2.gz APYZJYATUHCIQD-SECBINFHSA-N 1 0 177.247 2.649 10 0 AFAERO CC[C@H](C)[C@H](C)[NH2+]C1CC=CC1 157330164 538021732 /nfs/dbraw/zinc/02/17/32/538021732.db2.gz GEWXRNZUNJVIEJ-UWVGGRQHSA-N 1 0 167.296 2.729 10 0 AFAERO CC[C@H](C)[C@@H](C)[NH2+]C1CC=CC1 157329872 538022062 /nfs/dbraw/zinc/02/20/62/538022062.db2.gz GEWXRNZUNJVIEJ-VHSXEESVSA-N 1 0 167.296 2.729 10 0 AFAERO CC[C@@H](C)[C@@H](C)[NH2+]C1CC=CC1 157329743 538022587 /nfs/dbraw/zinc/02/25/87/538022587.db2.gz GEWXRNZUNJVIEJ-NXEZZACHSA-N 1 0 167.296 2.729 10 0 AFAERO CC(C)C[C@H](C)[NH2+]C1CC=CC1 157336981 538022619 /nfs/dbraw/zinc/02/26/19/538022619.db2.gz NUSBJMQKMDMOMV-JTQLQIEISA-N 1 0 167.296 2.729 10 0 AFAERO C[C@H]([NH2+]C1CC=CC1)c1ccco1 157344446 538022858 /nfs/dbraw/zinc/02/28/58/538022858.db2.gz APYZJYATUHCIQD-VIFPVBQESA-N 1 0 177.247 2.649 10 0 AFAERO CC[C@@H](C)[C@H](C)[NH2+]C1CC=CC1 157330044 538023226 /nfs/dbraw/zinc/02/32/26/538023226.db2.gz GEWXRNZUNJVIEJ-ZJUUUORDSA-N 1 0 167.296 2.729 10 0 AFAERO CCC1([NH2+]Cc2cncs2)CCC1 157484707 538023840 /nfs/dbraw/zinc/02/38/40/538023840.db2.gz ZQXLILQFAKXZAV-UHFFFAOYSA-N 1 0 196.319 2.565 10 0 AFAERO CC(C)C[C@@H](C)[NH2+]C1CC=CC1 157336832 538024698 /nfs/dbraw/zinc/02/46/98/538024698.db2.gz NUSBJMQKMDMOMV-SNVBAGLBSA-N 1 0 167.296 2.729 10 0 AFAERO C[C@@H]1C[C@H]1C[NH2+]CC1CCCCC1 159257458 538027766 /nfs/dbraw/zinc/02/77/66/538027766.db2.gz RKSPADVOAZALGD-PWSUYJOCSA-N 1 0 181.323 2.812 10 0 AFAERO C[C@H]1C[C@H]1C[NH2+]CC1CCCCC1 159257601 538027941 /nfs/dbraw/zinc/02/79/41/538027941.db2.gz RKSPADVOAZALGD-JQWIXIFHSA-N 1 0 181.323 2.812 10 0 AFAERO C[C@H]1C[C@@H]1C[NH2+]CC1CCCCC1 159257327 538028651 /nfs/dbraw/zinc/02/86/51/538028651.db2.gz RKSPADVOAZALGD-CMPLNLGQSA-N 1 0 181.323 2.812 10 0 AFAERO C[C@@H]1C[C@@H]1C[NH2+]CC1CCCCC1 159257189 538029909 /nfs/dbraw/zinc/02/99/09/538029909.db2.gz RKSPADVOAZALGD-ZYHUDNBSSA-N 1 0 181.323 2.812 10 0 AFAERO CCC1([NH2+]CC(C)C)CCC1 161061825 538053560 /nfs/dbraw/zinc/05/35/60/538053560.db2.gz GPDABHLYYGYQAA-UHFFFAOYSA-N 1 0 155.285 2.565 10 0 AFAERO CC[C@H](C)C[NH2+]C1(CC)CCC1 161518073 538058135 /nfs/dbraw/zinc/05/81/35/538058135.db2.gz GFQLLRIXPLBJFL-JTQLQIEISA-N 1 0 169.312 2.955 10 0 AFAERO CC[C@@H](C)C[NH2+]C1(CC)CCC1 161517938 538058371 /nfs/dbraw/zinc/05/83/71/538058371.db2.gz GFQLLRIXPLBJFL-SNVBAGLBSA-N 1 0 169.312 2.955 10 0 AFAERO CCC[C@@H](CC)[NH2+][C@@H](C)[C@@H](C)OC 161570846 538062669 /nfs/dbraw/zinc/06/26/69/538062669.db2.gz YMLCNRVFJOMNRK-HBNTYKKESA-N 1 0 187.327 2.578 10 0 AFAERO CC[C@H](C)[C@H](C)[NH2+]C1CC(C)C1 161795009 538063545 /nfs/dbraw/zinc/06/35/45/538063545.db2.gz UQRYDWGRDMTHJP-SEQHWMEXSA-N 1 0 169.312 2.809 10 0 AFAERO CC1CC([NH2+]C(C2CC2)C2CC2)C1 161808470 538063967 /nfs/dbraw/zinc/06/39/67/538063967.db2.gz SRRIQZVUDBUZQY-UHFFFAOYSA-N 1 0 179.307 2.563 10 0 AFAERO CC(C)C[C@H](C)[NH2+]C1CC(C)C1 161807939 538064031 /nfs/dbraw/zinc/06/40/31/538064031.db2.gz RGXOSGLPCDLPAP-YVNMAJEFSA-N 1 0 169.312 2.809 10 0 AFAERO CC[C@H](C)[C@@H](C)[NH2+]C1CC(C)C1 161794731 538064272 /nfs/dbraw/zinc/06/42/72/538064272.db2.gz UQRYDWGRDMTHJP-LIZLNQBYSA-N 1 0 169.312 2.809 10 0 AFAERO CC1CC([NH2+][C@@H](C)c2ccoc2)C1 161795419 538064304 /nfs/dbraw/zinc/06/43/04/538064304.db2.gz UVIPEUQYAVCYSO-YUCVTWSNSA-N 1 0 179.263 2.729 10 0 AFAERO CC1CC([NH2+][C@H](C)C2CCCC2)C1 161786179 538064358 /nfs/dbraw/zinc/06/43/58/538064358.db2.gz QLKRHDKZTKHASD-SQLBVSGCSA-N 1 0 181.323 2.953 10 0 AFAERO CC1CC([NH2+][C@H](C)c2ccoc2)C1 161795557 538065153 /nfs/dbraw/zinc/06/51/53/538065153.db2.gz UVIPEUQYAVCYSO-INWMGODYSA-N 1 0 179.263 2.729 10 0 AFAERO CC(C)C[C@@H](C)[NH2+]C1CC(C)C1 161808070 538065462 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185.286 2.611 10 0 AFAERO CC(C)C[C@H](C)[NH2+]C1CC(F)(F)C1 379399310 538389737 /nfs/dbraw/zinc/38/97/37/538389737.db2.gz GTXQMZSUOJZLPO-QMMMGPOBSA-N 1 0 191.265 2.808 10 0 AFAERO CCC1(C)CC[NH+](CCCF)CC1 379396481 538390477 /nfs/dbraw/zinc/39/04/77/538390477.db2.gz HCFALYLTYASEAB-UHFFFAOYSA-N 1 0 187.302 2.858 10 0 AFAERO C[C@@H]1C[C@@H]1C[NH2+]CCC1(F)CCC1 379399342 538390634 /nfs/dbraw/zinc/39/06/34/538390634.db2.gz GWDBQJWQBBEVEX-NXEZZACHSA-N 1 0 185.286 2.514 10 0 AFAERO C[C@H]1C[C@H]1C[NH2+]CCC1(F)CCC1 379399343 538390780 /nfs/dbraw/zinc/39/07/80/538390780.db2.gz GWDBQJWQBBEVEX-UWVGGRQHSA-N 1 0 185.286 2.514 10 0 AFAERO CC(C)C1(C[NH2+]C[C@H]2C[C@@H]2C)CC1 379401685 538392196 /nfs/dbraw/zinc/39/21/96/538392196.db2.gz LHBFNGTVOPNVFO-WDEREUQCSA-N 1 0 181.323 2.668 10 0 AFAERO CC(C)C1(C[NH2+]C[C@@H]2C[C@@H]2C)CC1 379401684 538392263 /nfs/dbraw/zinc/39/22/63/538392263.db2.gz LHBFNGTVOPNVFO-QWRGUYRKSA-N 1 0 181.323 2.668 10 0 AFAERO CCC[C@@H](C)[NH2+][C@H]1CCCC1(F)F 379400328 538392301 /nfs/dbraw/zinc/39/23/01/538392301.db2.gz IHTPQMAPBBBZIP-BDAKNGLRSA-N 1 0 191.265 2.952 10 0 AFAERO CC[C@H]1CC[C@@H]1[NH2+]C(C)(C)C(F)F 379399487 538392848 /nfs/dbraw/zinc/39/28/48/538392848.db2.gz HBLLAHXWFQPJBF-YUMQZZPRSA-N 1 0 191.265 2.808 10 0 AFAERO CC(C)C1(C[NH2+]C[C@@H]2C[C@H]2C)CC1 379401683 538393702 /nfs/dbraw/zinc/39/37/02/538393702.db2.gz LHBFNGTVOPNVFO-MNOVXSKESA-N 1 0 181.323 2.668 10 0 AFAERO CCC[C@H](C)[NH2+][C@@H]1CCCC1(F)F 379400329 538393715 /nfs/dbraw/zinc/39/37/15/538393715.db2.gz IHTPQMAPBBBZIP-DTWKUNHWSA-N 1 0 191.265 2.952 10 0 AFAERO CC[C@@H]1CC[C@H]1[NH2+]C(C)(C)C(F)F 379399484 538393845 /nfs/dbraw/zinc/39/38/45/538393845.db2.gz HBLLAHXWFQPJBF-HTQZYQBOSA-N 1 0 191.265 2.808 10 0 AFAERO CC[C@H]1CC[C@H]1[NH2+]C(C)(C)C(F)F 379399485 538393835 /nfs/dbraw/zinc/39/38/35/538393835.db2.gz HBLLAHXWFQPJBF-JGVFFNPUSA-N 1 0 191.265 2.808 10 0 AFAERO CC1(C[NH2+]C[C@@H]2CCCS2)CCC1 379401400 538394121 /nfs/dbraw/zinc/39/41/21/538394121.db2.gz KSFTWKDLPNDRLD-JTQLQIEISA-N 1 0 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538395605 /nfs/dbraw/zinc/39/56/05/538395605.db2.gz RPBKUDWSBBAGKH-SNVBAGLBSA-N 1 0 181.323 2.907 10 0 AFAERO C[C@H]1C[C@@H]1C[NH2+]CCC1=CCCC1 379405150 538395895 /nfs/dbraw/zinc/39/58/95/538395895.db2.gz SPRNMPWCENYGEF-CMPLNLGQSA-N 1 0 179.307 2.732 10 0 AFAERO CC[C@H]([NH2+]C1CC(F)(F)C1)C1CC1 379403697 538395905 /nfs/dbraw/zinc/39/59/05/538395905.db2.gz PXSHCLDKEUBPOY-VIFPVBQESA-N 1 0 189.249 2.562 10 0 AFAERO C[C@@H]1C[C@H]1C[NH2+]CCC1=CCCC1 379405152 538396082 /nfs/dbraw/zinc/39/60/82/538396082.db2.gz SPRNMPWCENYGEF-PWSUYJOCSA-N 1 0 179.307 2.732 10 0 AFAERO C[C@@H]1C[C@@H]1C[NH2+]CCC1=CCCC1 379405153 538396139 /nfs/dbraw/zinc/39/61/39/538396139.db2.gz SPRNMPWCENYGEF-ZYHUDNBSSA-N 1 0 179.307 2.732 10 0 AFAERO CC[C@@H]([NH2+]C1CC(F)(F)C1)C1CC1 379403696 538397144 /nfs/dbraw/zinc/39/71/44/538397144.db2.gz PXSHCLDKEUBPOY-SECBINFHSA-N 1 0 189.249 2.562 10 0 AFAERO C[C@@H](C1CC1)[N@H+](C)CC1(C)CCC1 379404474 538398193 /nfs/dbraw/zinc/39/81/93/538398193.db2.gz RPBKUDWSBBAGKH-JTQLQIEISA-N 1 0 181.323 2.907 10 0 AFAERO C[C@H]1C[C@H]1C[NH2+]CCC1=CCCC1 379405151 538398389 /nfs/dbraw/zinc/39/83/89/538398389.db2.gz SPRNMPWCENYGEF-JQWIXIFHSA-N 1 0 179.307 2.732 10 0 AFAERO CC[N@@H+](CC1CCC1)C[C@H]1C[C@H]1C 379409187 538402978 /nfs/dbraw/zinc/40/29/78/538402978.db2.gz CIJHVUPUFADDIC-ZYHUDNBSSA-N 1 0 181.323 2.764 10 0 AFAERO CC/C=C\CC[N@@H+]1CCC=C(F)C1 379411012 538403038 /nfs/dbraw/zinc/40/30/38/538403038.db2.gz HGJXRCMEZHAWRE-ARJAWSKDSA-N 1 0 183.270 2.902 10 0 AFAERO CC[N@@H+](CC1CCC1)C[C@@H]1C[C@@H]1C 379409185 538403768 /nfs/dbraw/zinc/40/37/68/538403768.db2.gz CIJHVUPUFADDIC-JQWIXIFHSA-N 1 0 181.323 2.764 10 0 AFAERO CC[N@@H+](CC1CCC1)C[C@H]1C[C@@H]1C 379409184 538403865 /nfs/dbraw/zinc/40/38/65/538403865.db2.gz CIJHVUPUFADDIC-CMPLNLGQSA-N 1 0 181.323 2.764 10 0 AFAERO C[N@H+](CCC1CC1)CC1(C)CCC1 379411231 538403945 /nfs/dbraw/zinc/40/39/45/538403945.db2.gz HURXDUWFYHKRGR-UHFFFAOYSA-N 1 0 181.323 2.909 10 0 AFAERO CC[N@@H+](CC1CCC1)C[C@@H]1C[C@H]1C 379409186 538403975 /nfs/dbraw/zinc/40/39/75/538403975.db2.gz CIJHVUPUFADDIC-PWSUYJOCSA-N 1 0 181.323 2.764 10 0 AFAERO CC1(C[NH2+]CCC2=CCCC2)CC1 379410340 538404072 /nfs/dbraw/zinc/40/40/72/538404072.db2.gz FWZOXJMRLFKJBU-UHFFFAOYSA-N 1 0 179.307 2.877 10 0 AFAERO CC/C=C/CC[N@@H+]1CCC=C(F)C1 379411013 538404685 /nfs/dbraw/zinc/40/46/85/538404685.db2.gz HGJXRCMEZHAWRE-ONEGZZNKSA-N 1 0 183.270 2.902 10 0 AFAERO CC[C@@H](C)C[N@H+](CC)CC1(F)CC1 379409984 538405358 /nfs/dbraw/zinc/40/53/58/538405358.db2.gz FCJPTRAZMHDXNR-SNVBAGLBSA-N 1 0 187.302 2.857 10 0 AFAERO CC[C@H](C)C[N@H+](CC)CC1(F)CC1 379409983 538405405 /nfs/dbraw/zinc/40/54/05/538405405.db2.gz FCJPTRAZMHDXNR-JTQLQIEISA-N 1 0 187.302 2.857 10 0 AFAERO C[C@H](CC1CC1)[NH2+]C1CC(C)(C)C1 379414800 538405830 /nfs/dbraw/zinc/40/58/30/538405830.db2.gz OUDFJGMTWAPHTL-SECBINFHSA-N 1 0 181.323 2.953 10 0 AFAERO C[N@H+](CCCF)C[C@H]1CC=CCC1 379413906 538406158 /nfs/dbraw/zinc/40/61/58/538406158.db2.gz MVRWJDSUGAGBCP-NSHDSACASA-N 1 0 185.286 2.634 10 0 AFAERO CC[N@H+](CC1CC1)CC1(C)CCC1 379414194 538406245 /nfs/dbraw/zinc/40/62/45/538406245.db2.gz NNQMISPWTLFCSG-UHFFFAOYSA-N 1 0 181.323 2.909 10 0 AFAERO C[C@@H](CC1CC1)[NH2+]C1CC(C)(C)C1 379414801 538406253 /nfs/dbraw/zinc/40/62/53/538406253.db2.gz OUDFJGMTWAPHTL-VIFPVBQESA-N 1 0 181.323 2.953 10 0 AFAERO C[N@H+](CCCF)C[C@@H]1CC=CCC1 379413905 538406885 /nfs/dbraw/zinc/40/68/85/538406885.db2.gz MVRWJDSUGAGBCP-LLVKDONJSA-N 1 0 185.286 2.634 10 0 AFAERO CC1(C[NH2+]CC2(F)CC2)CCCC1 379414487 538407438 /nfs/dbraw/zinc/40/74/38/538407438.db2.gz ODRUVCPZQDZWQB-UHFFFAOYSA-N 1 0 185.286 2.658 10 0 AFAERO CC[C@@H](C)[NH2+][C@H](C)Cc1ccoc1 379415999 538408416 /nfs/dbraw/zinc/40/84/16/538408416.db2.gz QRRYJXAYQPKYHI-NXEZZACHSA-N 1 0 181.279 2.599 10 0 AFAERO C[C@H](CC1CC1)[NH2+]C(C)(C)C(F)F 379416578 538408615 /nfs/dbraw/zinc/40/86/15/538408615.db2.gz RYJBCXBTIJTQAM-SSDOTTSWSA-N 1 0 191.265 2.808 10 0 AFAERO CC[C@H](C)[NH2+][C@H](C)Cc1ccoc1 379416001 538408666 /nfs/dbraw/zinc/40/86/66/538408666.db2.gz QRRYJXAYQPKYHI-VHSXEESVSA-N 1 0 181.279 2.599 10 0 AFAERO CC(C)CC[N@@H+]1CC[C@@H](C(F)F)C1 379417275 538408687 /nfs/dbraw/zinc/40/86/87/538408687.db2.gz UHJZIMGPPIPFSL-SECBINFHSA-N 1 0 191.265 2.620 10 0 AFAERO CC[C@H](C)[NH2+][C@@H](C)Cc1ccoc1 379416000 538408715 /nfs/dbraw/zinc/40/87/15/538408715.db2.gz QRRYJXAYQPKYHI-UWVGGRQHSA-N 1 0 181.279 2.599 10 0 AFAERO CCCC1(C[NH2+]CC2(F)CC2)CC1 379417964 538408816 /nfs/dbraw/zinc/40/88/16/538408816.db2.gz VIQCQHGLTXSIPZ-UHFFFAOYSA-N 1 0 185.286 2.658 10 0 AFAERO CC(C)C[NH2+][C@@H]1CCC[C@@H]1CCF 379417474 538409074 /nfs/dbraw/zinc/40/90/74/538409074.db2.gz USODDBUEERCKTR-GHMZBOCLSA-N 1 0 187.302 2.760 10 0 AFAERO CC(C)C[NH2+][C@H]1CCC[C@@H]1CCF 379417475 538409161 /nfs/dbraw/zinc/40/91/61/538409161.db2.gz USODDBUEERCKTR-MNOVXSKESA-N 1 0 187.302 2.760 10 0 AFAERO CC(C)CC[N@@H+]1CC[C@H](C(F)F)C1 379417276 538409170 /nfs/dbraw/zinc/40/91/70/538409170.db2.gz UHJZIMGPPIPFSL-VIFPVBQESA-N 1 0 191.265 2.620 10 0 AFAERO CC(C)C[NH2+][C@@H]1CCC[C@H]1CCF 379417477 538409458 /nfs/dbraw/zinc/40/94/58/538409458.db2.gz USODDBUEERCKTR-WDEREUQCSA-N 1 0 187.302 2.760 10 0 AFAERO CC[C@@H](C)[NH2+][C@@H](C)Cc1ccoc1 379416002 538409489 /nfs/dbraw/zinc/40/94/89/538409489.db2.gz QRRYJXAYQPKYHI-ZJUUUORDSA-N 1 0 181.279 2.599 10 0 AFAERO CC1(C[NH2+]CCC2(F)CCC2)CC1 379418557 538409518 /nfs/dbraw/zinc/40/95/18/538409518.db2.gz WGAGYYWMDUIKGI-UHFFFAOYSA-N 1 0 185.286 2.658 10 0 AFAERO CC(C)C[NH2+][C@H]1CCC[C@H]1CCF 379417476 538409745 /nfs/dbraw/zinc/40/97/45/538409745.db2.gz USODDBUEERCKTR-QWRGUYRKSA-N 1 0 187.302 2.760 10 0 AFAERO C[C@@H](CC1CC1)[NH2+]C(C)(C)C(F)F 379416579 538410205 /nfs/dbraw/zinc/41/02/05/538410205.db2.gz RYJBCXBTIJTQAM-ZETCQYMHSA-N 1 0 191.265 2.808 10 0 AFAERO C[C@@H]1CCC[C@@H]1C[NH2+]CC1(F)CC1 379420087 538410341 /nfs/dbraw/zinc/41/03/41/538410341.db2.gz ZPLWIBDBGKIGJN-NXEZZACHSA-N 1 0 185.286 2.514 10 0 AFAERO CCC[C@@H](C)C[NH2+]C1(C2CC2)CC1 379419512 538410495 /nfs/dbraw/zinc/41/04/95/538410495.db2.gz 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167.296 2.563 10 0 AFAERO CC[C@@H](C)[NH2+][C@H]1C[C@@H]2CCC[C@@H]21 669383353 538446409 /nfs/dbraw/zinc/44/64/09/538446409.db2.gz TYYZCCLAPJQCKV-RCWTZXSCSA-N 1 0 167.296 2.563 10 0 AFAERO Cc1ccc2c(C[NH3+])c(C)ccc2c1 669383207 538446580 /nfs/dbraw/zinc/44/65/80/538446580.db2.gz GVGYRDQAMNOTRN-UHFFFAOYSA-N 1 0 185.270 2.915 10 0 AFAERO CCC(C)(C)c1coc2c1C[NH2+]C2 675051843 538447464 /nfs/dbraw/zinc/44/74/64/538447464.db2.gz VXEAAJXTEDROJW-UHFFFAOYSA-N 1 0 179.263 2.570 10 0 AFAERO Cc1cc([C@H]2CCC[C@@H](C)[NH2+]2)sn1 669384721 538446796 /nfs/dbraw/zinc/44/67/96/538446796.db2.gz CMDIGNPCICECLG-VXNVDRBHSA-N 1 0 196.319 2.655 10 0 AFAERO CCC(CC)c1cc(C)[nH+]c(N)c1 669384933 538446844 /nfs/dbraw/zinc/44/68/44/538446844.db2.gz OHLZGLVAKSLMLB-UHFFFAOYSA-N 1 0 178.279 2.876 10 0 AFAERO Cc1cc([C@H]2CCC[C@H](C)[NH2+]2)sn1 669384720 538446990 /nfs/dbraw/zinc/44/69/90/538446990.db2.gz CMDIGNPCICECLG-IONNQARKSA-N 1 0 196.319 2.655 10 0 AFAERO Cc1cc([C@@H]2CCC[C@H](C)[NH2+]2)sn1 669384719 538447011 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/nfs/dbraw/zinc/16/42/48/572164248.db2.gz BNIZTIXVKHZAFY-SECBINFHSA-N 1 0 192.306 2.951 10 0 AFAERO CC(C)C[NH2+]CCC1CC=CC1 692056650 757371851 /nfs/dbraw/zinc/37/18/51/757371851.db2.gz CXBJUKABFOHABO-UHFFFAOYSA-N 1 0 167.296 2.588 10 0 AFAERO CCCCCC[N@@H+]1CCC(=O)C[C@@H]1C 70019998 572166415 /nfs/dbraw/zinc/16/64/15/572166415.db2.gz BZDMNQNCKKLHHN-NSHDSACASA-N 1 0 197.322 2.620 10 0 AFAERO CC[NH2+][C@@H](CC1CC1)c1cccnc1 82999969 572170299 /nfs/dbraw/zinc/17/02/99/572170299.db2.gz XAJCSTAKFMGATM-LBPRGKRZSA-N 1 0 190.290 2.532 10 0 AFAERO CCC(CC)[C@@H]1C[NH2+][C@@H](C)[C@H](CC)O1 300400179 572173752 /nfs/dbraw/zinc/17/37/52/572173752.db2.gz OFOAWCRSWBVDDJ-DLOVCJGASA-N 1 0 199.338 2.578 10 0 AFAERO CC[NH2+][C@H]1CC[C@@H](C(C)C)[C@@H]1C 83033707 572187260 /nfs/dbraw/zinc/18/72/60/572187260.db2.gz DDKPPGHKOVMXNQ-DCAQKATOSA-N 1 0 169.312 2.667 10 0 AFAERO CC[NH2+][C@H](C)[C@@]12CCCC[C@@H]1C2 693142876 757380853 /nfs/dbraw/zinc/38/08/53/757380853.db2.gz COYQWIOXTMWMQI-MXWKQRLJSA-N 1 0 167.296 2.565 10 0 AFAERO CCCCCC[C@@](C)([NH3+])C(F)F 87688251 572678967 /nfs/dbraw/zinc/67/89/67/572678967.db2.gz BDBIMOJRHZDEDS-SECBINFHSA-N 1 0 179.254 2.939 10 0 AFAERO CCC[C@H](COC)[NH2+][C@H](CC)C1CC1 83056818 572192435 /nfs/dbraw/zinc/19/24/35/572192435.db2.gz CNVBDDMFPJQWPD-VXGBXAGGSA-N 1 0 199.338 2.580 10 0 AFAERO CC[NH2+][C@H](C)[C@]12CCCC[C@H]1C2 693142882 757382700 /nfs/dbraw/zinc/38/27/00/757382700.db2.gz COYQWIOXTMWMQI-OUAUKWLOSA-N 1 0 167.296 2.565 10 0 AFAERO CCCC[NH2+]C[C@H](C)c1ccccn1 692949951 757382838 /nfs/dbraw/zinc/38/28/38/757382838.db2.gz NQVLYBXTVFENFB-NSHDSACASA-N 1 0 192.306 2.575 10 0 AFAERO CCCC[NH2+]C[C@@H](C)c1ccccn1 692949949 757384700 /nfs/dbraw/zinc/38/47/00/757384700.db2.gz NQVLYBXTVFENFB-LLVKDONJSA-N 1 0 192.306 2.575 10 0 AFAERO CC(C)CCOCC[C@H]([NH3+])C1(C)CC1 687793101 572195223 /nfs/dbraw/zinc/19/52/23/572195223.db2.gz JJMADEHVIDVLAS-NSHDSACASA-N 1 0 199.338 2.567 10 0 AFAERO Cc1cc([C@@H](C[NH3+])C(C)C)ccc1F 19726148 572195239 /nfs/dbraw/zinc/19/52/39/572195239.db2.gz RNBQXRKBLMOKDF-NSHDSACASA-N 1 0 195.281 2.832 10 0 AFAERO Cc1ccc(C)c([C@H](C[NH3+])C2CC2)c1 19726184 572195255 /nfs/dbraw/zinc/19/52/55/572195255.db2.gz ZVPJCIZCFCWIFL-CYBMUJFWSA-N 1 0 189.302 2.756 10 0 AFAERO CC(C)[C@@H](C[NH3+])c1ccc(F)cc1 19726139 572195261 /nfs/dbraw/zinc/19/52/61/572195261.db2.gz VYEOXYMMDWHJOY-LLVKDONJSA-N 1 0 181.254 2.524 10 0 AFAERO C1CCC([NH2+]C[C@@]23CCC[C@@H]2C3)C1 693253960 757386200 /nfs/dbraw/zinc/38/62/00/757386200.db2.gz MKLVBCPTQHDRBV-PWSUYJOCSA-N 1 0 179.307 2.709 10 0 AFAERO CC(C)C[NH2+]C[C@@]12CCCC[C@@H]1C2 693290885 757386442 /nfs/dbraw/zinc/38/64/42/757386442.db2.gz MTFROQXWYYSIKN-NEPJUHHUSA-N 1 0 181.323 2.812 10 0 AFAERO CC[C@H](C)[NH2+]C[C@@]12CCCC[C@@H]1C2 693286756 757386510 /nfs/dbraw/zinc/38/65/10/757386510.db2.gz CTCFBNHMCZIBTB-TUAOUCFPSA-N 1 0 181.323 2.955 10 0 AFAERO C1CC[C@]2(C[NH2+]CC3CC3)C[C@@H]2C1 693281239 757386791 /nfs/dbraw/zinc/38/67/91/757386791.db2.gz GTAIKAWQWIAMOR-NWDGAFQWSA-N 1 0 179.307 2.566 10 0 AFAERO c1cc(C[NH2+][C@]23CCCC[C@H]2C3)co1 693161705 757386879 /nfs/dbraw/zinc/38/68/79/757386879.db2.gz LAJDLKDHBTZQJY-RYUDHWBXSA-N 1 0 191.274 2.702 10 0 AFAERO CC[C@H](C)[NH2+]C[C@@]12CCC[C@@H]1C2 693256578 757387339 /nfs/dbraw/zinc/38/73/39/757387339.db2.gz SVFBTINDEJHNBM-AXFHLTTASA-N 1 0 167.296 2.565 10 0 AFAERO CC[C@H]([NH3+])c1cc(C)c(C)cc1OC 36156892 572195309 /nfs/dbraw/zinc/19/53/09/572195309.db2.gz CIUHSAJSSUODJB-NSHDSACASA-N 1 0 193.290 2.722 10 0 AFAERO CC(C)C(C)(C)CO[C@H]1CCC[C@@H]1[NH3+] 713222471 572195316 /nfs/dbraw/zinc/19/53/16/572195316.db2.gz ZICUTBBSHXUIPU-QWRGUYRKSA-N 1 0 199.338 2.565 10 0 AFAERO CCCC[NH2+]C[C@]12CCCC[C@H]1C2 693291760 757387593 /nfs/dbraw/zinc/38/75/93/757387593.db2.gz PFVUKYCPPLEQSQ-NWDGAFQWSA-N 1 0 181.323 2.956 10 0 AFAERO CCC[NH2+][C@H](C)[C@@]12CCCC[C@@H]1C2 693271451 757387608 /nfs/dbraw/zinc/38/76/08/757387608.db2.gz HZFHPIROGKIQBH-UTUOFQBUSA-N 1 0 181.323 2.955 10 0 AFAERO CCCC[NH2+]C[C@@]12CCCC[C@@H]1C2 693291758 757387705 /nfs/dbraw/zinc/38/77/05/757387705.db2.gz PFVUKYCPPLEQSQ-NEPJUHHUSA-N 1 0 181.323 2.956 10 0 AFAERO CCC[NH2+][C@H](C)[C@]12CCCC[C@H]1C2 693271448 757387778 /nfs/dbraw/zinc/38/77/78/757387778.db2.gz HZFHPIROGKIQBH-GRYCIOLGSA-N 1 0 181.323 2.955 10 0 AFAERO c1cc(C[NH2+][C@@]23CCCC[C@@H]2C3)co1 693161706 757387817 /nfs/dbraw/zinc/38/78/17/757387817.db2.gz LAJDLKDHBTZQJY-VXGBXAGGSA-N 1 0 191.274 2.702 10 0 AFAERO c1coc(C[NH2+]C[C@@]23CCC[C@@H]2C3)c1 693267325 757387965 /nfs/dbraw/zinc/38/79/65/757387965.db2.gz HXPZEFNNKKKLPD-PWSUYJOCSA-N 1 0 191.274 2.559 10 0 AFAERO CCCC[NH2+][C@@]12CCCC[C@@H]1C2 693147553 757388233 /nfs/dbraw/zinc/38/82/33/757388233.db2.gz FJHKRSJIDRTICP-GHMZBOCLSA-N 1 0 167.296 2.709 10 0 AFAERO CCc1ccc(CCCCC[NH3+])cc1 36156687 572195352 /nfs/dbraw/zinc/19/53/52/572195352.db2.gz MCUQUVVVSFIJGA-UHFFFAOYSA-N 1 0 191.318 2.921 10 0 AFAERO CCCC[NH2+][C@]12CCCC[C@H]1C2 693147557 757388930 /nfs/dbraw/zinc/38/89/30/757388930.db2.gz FJHKRSJIDRTICP-QWRGUYRKSA-N 1 0 167.296 2.709 10 0 AFAERO C1CC[C@@]2(C[NH2+]CC3CC3)C[C@H]2C1 693281236 757389196 /nfs/dbraw/zinc/38/91/96/757389196.db2.gz GTAIKAWQWIAMOR-NEPJUHHUSA-N 1 0 179.307 2.566 10 0 AFAERO CC[C@H](C)[NH2+]C[C@]12CCCC[C@H]1C2 693286754 757389265 /nfs/dbraw/zinc/38/92/65/757389265.db2.gz CTCFBNHMCZIBTB-SDDRHHMPSA-N 1 0 181.323 2.955 10 0 AFAERO CC(C)C[NH2+]C[C@]12CCCC[C@H]1C2 693290887 757389321 /nfs/dbraw/zinc/38/93/21/757389321.db2.gz MTFROQXWYYSIKN-NWDGAFQWSA-N 1 0 181.323 2.812 10 0 AFAERO CCC(CC)[NH2+]C[C@@]12CCC[C@@H]1C2 693570567 757389685 /nfs/dbraw/zinc/38/96/85/757389685.db2.gz UFZGATMLHSHSFQ-PWSUYJOCSA-N 1 0 181.323 2.955 10 0 AFAERO CC(C)(C)C[NH2+]C[C@@]12CCC[C@@H]1C2 693565872 757389698 /nfs/dbraw/zinc/38/96/98/757389698.db2.gz BXQKPJSLOFBTEW-PWSUYJOCSA-N 1 0 181.323 2.812 10 0 AFAERO C[C@H]([NH2+]C[C@@]12CCC[C@@H]1C2)C1CCC1 693534099 757389836 /nfs/dbraw/zinc/38/98/36/757389836.db2.gz MIINBNDTHPEDGH-UHTWSYAYSA-N 1 0 193.334 2.955 10 0 AFAERO C[C@@H]1CC[C@H]([NH2+]C[C@@]23CCC[C@@H]2C3)C1 693565930 757390009 /nfs/dbraw/zinc/39/00/09/757390009.db2.gz CFEZJVGFLQOLLY-NDBYEHHHSA-N 1 0 193.334 2.955 10 0 AFAERO C[C@H]([NH2+]C[C@@]12CCC[C@@H]1C2)C1CC1 693571288 757390231 /nfs/dbraw/zinc/39/02/31/757390231.db2.gz ZMLQKRPEDITBIU-WCQGTBRESA-N 1 0 179.307 2.565 10 0 AFAERO CCC[C@H](C)C[C@H]([NH3+])[C@H]1C[C@H]1C 251280461 572195427 /nfs/dbraw/zinc/19/54/27/572195427.db2.gz GEMTTXZCKWZPDK-VLEAKVRGSA-N 1 0 169.312 2.796 10 0 AFAERO C[C@@H]1CCC[C@@H]1[NH2+]C[C@@]12CCC[C@@H]1C2 693570240 757390783 /nfs/dbraw/zinc/39/07/83/757390783.db2.gz STRXFUIJLVGQOZ-NDBYEHHHSA-N 1 0 193.334 2.955 10 0 AFAERO C[C@H](CC1CC1)[NH2+]C[C@@]12CCC[C@@H]1C2 693569733 757391364 /nfs/dbraw/zinc/39/13/64/757391364.db2.gz QPQZGZKVMOGZEC-RTXFEEFZSA-N 1 0 193.334 2.955 10 0 AFAERO CC[C@H](C)C[NH2+]C[C@@]12CCC[C@@H]1C2 693570500 757391896 /nfs/dbraw/zinc/39/18/96/757391896.db2.gz TUQWHQUHJAGJJK-TUAOUCFPSA-N 1 0 181.323 2.812 10 0 AFAERO CC1(C)CC[C@@H]1[NH2+]C[C@@]12CCC[C@@H]1C2 693570962 757392135 /nfs/dbraw/zinc/39/21/35/757392135.db2.gz WJSOYQYKFVOIDL-MDZLAQPJSA-N 1 0 193.334 2.955 10 0 AFAERO C[C@@H]1CC[C@@H]1[NH2+]C[C@@]12CCC[C@@H]1C2 693569152 757392288 /nfs/dbraw/zinc/39/22/88/757392288.db2.gz OUMWRNIIHAGOST-WYUUTHIRSA-N 1 0 179.307 2.565 10 0 AFAERO CC[C@H]1CC[C@H]([NH3+])[C@H](C2CC2)C1 87936275 572761267 /nfs/dbraw/zinc/76/12/67/572761267.db2.gz TVWSNYMVNTWPQH-LSJOCFKGSA-N 1 0 167.296 2.550 10 0 AFAERO C[NH2+]CC[C@@H](C)c1csc(C)c1 87947520 572761271 /nfs/dbraw/zinc/76/12/71/572761271.db2.gz YEFUGIMUAHPZGC-MRVPVSSYSA-N 1 0 183.320 2.770 10 0 AFAERO CCc1ccc(C[C@H](C)CC[NH3+])s1 87937190 572761279 /nfs/dbraw/zinc/76/12/79/572761279.db2.gz UQBMASYFPPGYPC-SECBINFHSA-N 1 0 197.347 2.838 10 0 AFAERO CCC[C@](C)([NH3+])Cc1cccc(F)c1 83185397 572197721 /nfs/dbraw/zinc/19/77/21/572197721.db2.gz APDQLDVAFDAMSO-LBPRGKRZSA-N 1 0 195.281 2.886 10 0 AFAERO CC1(C)CC([NH2+]C[C@@]23CCC[C@@H]2C3)C1 693547937 757393956 /nfs/dbraw/zinc/39/39/56/757393956.db2.gz NHOKKZVOAFSXJD-MFKMUULPSA-N 1 0 193.334 2.955 10 0 AFAERO CC(C)C[C@@H]1CC[C@@H]1C[NH2+]C1CC1 87956126 572771763 /nfs/dbraw/zinc/77/17/63/572771763.db2.gz KCNMZIQSWIAFQY-WDEREUQCSA-N 1 0 181.323 2.811 10 0 AFAERO CC[C@H](C)COC1(C[NH3+])CCCCC1 83401574 572210921 /nfs/dbraw/zinc/21/09/21/572210921.db2.gz HZSUAOQYCQGZNH-NSHDSACASA-N 1 0 199.338 2.711 10 0 AFAERO c1cc(C[NH2+]C[C@@]23CCC[C@@H]2C3)co1 693571363 757394884 /nfs/dbraw/zinc/39/48/84/757394884.db2.gz ZZTUZNRXZWYLHM-NEPJUHHUSA-N 1 0 191.274 2.559 10 0 AFAERO CC1(C[NH2+]C[C@@]23CCC[C@@H]2C3)CCC1 693569350 757395052 /nfs/dbraw/zinc/39/50/52/757395052.db2.gz ULNYTNOPRKESPC-YPMHNXCESA-N 1 0 193.334 2.956 10 0 AFAERO CCC[C@H](C)[NH2+]C[C@@]12CCC[C@@H]1C2 693568513 757395353 /nfs/dbraw/zinc/39/53/53/757395353.db2.gz LSVUOLRYPQKLKR-TUAOUCFPSA-N 1 0 181.323 2.955 10 0 AFAERO C[C@H]([NH2+]C[C@]12CCCC[C@H]1C2)C1CC1 693581547 757396401 /nfs/dbraw/zinc/39/64/01/757396401.db2.gz SSHILJOPFXGSTD-WCFLWFBJSA-N 1 0 193.334 2.955 10 0 AFAERO C[C@H]([NH2+]C[C@@]12CCCC[C@@H]1C2)C1CC1 693581543 757397311 /nfs/dbraw/zinc/39/73/11/757397311.db2.gz SSHILJOPFXGSTD-UHTWSYAYSA-N 1 0 193.334 2.955 10 0 AFAERO CC(C)(C[NH2+]CC1CC1)CC(F)F 694030338 757397481 /nfs/dbraw/zinc/39/74/81/757397481.db2.gz HJUYLEKLRFIJJY-UHFFFAOYSA-N 1 0 191.265 2.667 10 0 AFAERO CC[NH2+][C@H](C(F)F)[C@@H](C)CC(C)C 300978305 572207338 /nfs/dbraw/zinc/20/73/38/572207338.db2.gz TVGJXKCVKJIXIX-IUCAKERBSA-N 1 0 193.281 2.912 10 0 AFAERO CCC[C@H](COC)[NH2+][C@@H]1CCC[C@@H]1C 83391799 572207343 /nfs/dbraw/zinc/20/73/43/572207343.db2.gz GBBUAWPOBDCVAM-QJPTWQEYSA-N 1 0 199.338 2.580 10 0 AFAERO CCC[C@H](COC)[NH2+][C@H]1CCC[C@@H]1C 83391804 572207350 /nfs/dbraw/zinc/20/73/50/572207350.db2.gz GBBUAWPOBDCVAM-TUAOUCFPSA-N 1 0 199.338 2.580 10 0 AFAERO C[C@@H]1CC[C@@H]1[NH2+]C[C@@]12CCCC[C@@H]1C2 693581603 757399122 /nfs/dbraw/zinc/39/91/22/757399122.db2.gz SYJXCDTVOGPWPH-NDBYEHHHSA-N 1 0 193.334 2.955 10 0 AFAERO C[C@@H]1CC[C@@H]1[NH2+]C[C@]12CCCC[C@H]1C2 693581594 757399218 /nfs/dbraw/zinc/39/92/18/757399218.db2.gz SYJXCDTVOGPWPH-MROQNXINSA-N 1 0 193.334 2.955 10 0 AFAERO CC(C)[C@@H](C)[NH2+]CCC1(C)CC1 393354052 572208172 /nfs/dbraw/zinc/20/81/72/572208172.db2.gz HJANZSJTGFJXNY-SNVBAGLBSA-N 1 0 169.312 2.811 10 0 AFAERO Cc1ccc2c(c1)[C@@H]([NH3+])C[C@@H]2C 19972473 572208686 /nfs/dbraw/zinc/20/86/86/572208686.db2.gz ZAWUPPRHOVMTOZ-KWQFWETISA-N 1 0 161.248 2.502 10 0 AFAERO CC(C)[C@H]1C[NH+]=C(CC2CCCC2)N1 36438492 572208725 /nfs/dbraw/zinc/20/87/25/572208725.db2.gz HFHRNSIRMJDGIL-LLVKDONJSA-N 1 0 194.322 2.593 10 0 AFAERO Cc1ccc([C@H]([NH3+])[C@@H]2C[C@@H]2C)s1 19969758 572208754 /nfs/dbraw/zinc/20/87/54/572208754.db2.gz QQIKBPWFYCSUJQ-SKWCMTHISA-N 1 0 181.304 2.712 10 0 AFAERO CCC[C@H](C)CO[C@](C)(CC)C[NH3+] 83401058 572209128 /nfs/dbraw/zinc/20/91/28/572209128.db2.gz NWIIBUKIZBSLDZ-WDEREUQCSA-N 1 0 187.327 2.567 10 0 AFAERO CC(C)C[C@@H](C)[C@@H]([NH3+])CC(F)(F)F 300979673 572209133 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10 0 AFAERO CC[C@H](C)[C@H]([NH2+]C)C1(OC)CCCC1 128890715 573164045 /nfs/dbraw/zinc/16/40/45/573164045.db2.gz IUJOPIQBHYTKLM-QWRGUYRKSA-N 1 0 199.338 2.580 10 0 AFAERO Cc1cc(Cl)c([C@@H](C)[NH3+])cc1C 82726234 573164131 /nfs/dbraw/zinc/16/41/31/573164131.db2.gz IJCXHUDKQHNEJE-MRVPVSSYSA-N 1 0 183.682 2.977 10 0 AFAERO CCC(CC)[N@H+](C)Cc1ocnc1C 1141053578 757975015 /nfs/dbraw/zinc/97/50/15/757975015.db2.gz HPFLVCNMJKYGDF-UHFFFAOYSA-N 1 0 196.294 2.603 10 0 AFAERO CC[C@H](F)C[C@H]1CCC[NH2+]CC1 257957578 573166531 /nfs/dbraw/zinc/16/65/31/573166531.db2.gz WZWNGPBFBNDEPS-UWVGGRQHSA-N 1 0 173.275 2.514 10 0 AFAERO CCC[C@H](C)Cn1ccc([C@@H](C)[NH3+])c1 85836577 573166542 /nfs/dbraw/zinc/16/65/42/573166542.db2.gz ZEZFJUZQVYTWSZ-WDEREUQCSA-N 1 0 194.322 2.944 10 0 AFAERO CSC(=[NH2+])c1c[nH]c2ccccc12 258564635 573169448 /nfs/dbraw/zinc/16/94/48/573169448.db2.gz KLNFNDJXSIXPNP-UHFFFAOYSA-N 1 0 190.271 2.856 10 0 AFAERO CCC[N@H+](C)Cc1ccc(C)cc1F 1141191830 757979451 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2.529 10 0 AFAERO Cc1ccc2c(c1)C[NH2+][C@H](C)[C@@H]2C 82784416 573186906 /nfs/dbraw/zinc/18/69/06/573186906.db2.gz DZNHRCSTEBIJNO-VHSXEESVSA-N 1 0 175.275 2.590 10 0 AFAERO Cc1ccc2c(c1)[C@H](C)[NH2+]C[C@H]2C 82784720 573186951 /nfs/dbraw/zinc/18/69/51/573186951.db2.gz TUUIVTQETGHJEJ-ZJUUUORDSA-N 1 0 175.275 2.763 10 0 AFAERO CC[C@@H]1[NH2+]C[C@@H](C)c2c(F)cccc21 82784933 573186957 /nfs/dbraw/zinc/18/69/57/573186957.db2.gz LBGFSEZJRRWEDU-KCJUWKMLSA-N 1 0 193.265 2.984 10 0 AFAERO CC[C@@H]1[NH2+]C[C@H](C)c2ccc(F)cc21 82784951 573186977 /nfs/dbraw/zinc/18/69/77/573186977.db2.gz YVIUKLXYAISQHC-UFBFGSQYSA-N 1 0 193.265 2.984 10 0 AFAERO CC[C@@H]1[NH2+]Cc2ccccc2C[C@@H]1C 82784685 573186985 /nfs/dbraw/zinc/18/69/85/573186985.db2.gz ZKDTVTGHNBRTSI-GWCFXTLKSA-N 1 0 189.302 2.747 10 0 AFAERO Cc1ccc2c(c1)C[C@H](C)[NH2+][C@H]2C 82785400 573187006 /nfs/dbraw/zinc/18/70/06/573187006.db2.gz ALNPJZGRFQOXHG-UWVGGRQHSA-N 1 0 175.275 2.590 10 0 AFAERO CC[C@@H]1[NH2+]Cc2cccc(C)c2[C@@H]1C 82784641 573187030 /nfs/dbraw/zinc/18/70/30/573187030.db2.gz ULKCYFGNPVXBMV-PWSUYJOCSA-N 1 0 189.302 2.980 10 0 AFAERO C[C@@H]1[NH2+]C[C@H](C)c2c(F)cccc21 82784775 573187052 /nfs/dbraw/zinc/18/70/52/573187052.db2.gz YJOPSTXMBNCKAD-YUMQZZPRSA-N 1 0 179.238 2.593 10 0 AFAERO CCC(CC)[C@@]1(F)C[NH2+]C[C@@H](C)C1 401828298 573189023 /nfs/dbraw/zinc/18/90/23/573189023.db2.gz DWXRDPIRVHLSMT-ONGXEEELSA-N 1 0 187.302 2.760 10 0 AFAERO C[C@H]1C[NH2+][C@H](C)c2cc(F)ccc21 82784805 573189034 /nfs/dbraw/zinc/18/90/34/573189034.db2.gz TXVAKOZJRKVCMJ-JGVFFNPUSA-N 1 0 179.238 2.593 10 0 AFAERO CC[C@@H]1[NH2+]C[C@H]2CCc3cccc1c32 82784899 573189071 /nfs/dbraw/zinc/18/90/71/573189071.db2.gz RVVBEVAQOPICRF-PWSUYJOCSA-N 1 0 187.286 2.771 10 0 AFAERO CCc1cccc2c1[C@H]([NH3+])CCS2 238306282 573189077 /nfs/dbraw/zinc/18/90/77/573189077.db2.gz BRODJXDWHORZDB-SECBINFHSA-N 1 0 193.315 2.745 10 0 AFAERO CC[C@H]1[NH2+]C[C@H](C)Cc2ccccc21 82784982 573189114 /nfs/dbraw/zinc/18/91/14/573189114.db2.gz SOPGSRXLAVLTIJ-ZWNOBZJWSA-N 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82784425 573189328 /nfs/dbraw/zinc/18/93/28/573189328.db2.gz MJNVNSVJXLLHBP-ZYHUDNBSSA-N 1 0 189.302 2.980 10 0 AFAERO CCc1ccc2c(c1)C[NH2+][C@@H](C)[C@@H]2C 82784549 573189330 /nfs/dbraw/zinc/18/93/30/573189330.db2.gz JICHIYZGIPDIJO-UWVGGRQHSA-N 1 0 189.302 2.844 10 0 AFAERO C[C@@H]1[NH2+]Cc2c(F)ccc(F)c2[C@H]1C 82784478 573189406 /nfs/dbraw/zinc/18/94/06/573189406.db2.gz RKSJISHTLJUXCO-BQBZGAKWSA-N 1 0 197.228 2.560 10 0 AFAERO C[C@@H]1C[NH2+][C@H](C)c2cc(F)cc(F)c21 82784800 573189418 /nfs/dbraw/zinc/18/94/18/573189418.db2.gz VLUAEFXZDVLLKE-RNFRBKRXSA-N 1 0 197.228 2.733 10 0 AFAERO CCCCCC[NH2+]CC[C@@H](C)OC 308297639 573189429 /nfs/dbraw/zinc/18/94/29/573189429.db2.gz XFVSHVKXZDVCIF-LLVKDONJSA-N 1 0 187.327 2.581 10 0 AFAERO CC[C@@H]1[NH2+]Cc2ccccc2C[C@H]1C 82784683 573189436 /nfs/dbraw/zinc/18/94/36/573189436.db2.gz ZKDTVTGHNBRTSI-MFKMUULPSA-N 1 0 189.302 2.747 10 0 AFAERO CC(C)[C@H]1c2ccccc2C[NH2+][C@H]1C 82784559 573189477 /nfs/dbraw/zinc/18/94/77/573189477.db2.gz 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/nfs/dbraw/zinc/19/28/17/573192817.db2.gz QKGNFBQUOXFFHA-XCBNKYQSSA-N 1 0 197.228 2.635 10 0 AFAERO C[C@H]1CC[NH2+][C@@H]1c1ccc(F)c(F)c1 82786268 573192930 /nfs/dbraw/zinc/19/29/30/573192930.db2.gz XACZSGAQZARPIG-CPCISQLKSA-N 1 0 197.228 2.635 10 0 AFAERO CC[C@@](F)(c1ccccc1)C(C)(C)[NH3+] 238302056 573192937 /nfs/dbraw/zinc/19/29/37/573192937.db2.gz MJFPCHPGFSOWLQ-GFCCVEGCSA-N 1 0 195.281 2.999 10 0 AFAERO Cc1cccc2c1[C@H](C)[NH2+][C@H](C)C2 82785459 573192967 /nfs/dbraw/zinc/19/29/67/573192967.db2.gz IKTJIVGKPGCEMB-ZJUUUORDSA-N 1 0 175.275 2.590 10 0 AFAERO CC[C@H](C)[C@H]1C=CC[C@@H](C(C)C)[NH2+]1 238301178 573192994 /nfs/dbraw/zinc/19/29/94/573192994.db2.gz WAHMRSJNTFBSDW-SDDRHHMPSA-N 1 0 181.323 2.975 10 0 AFAERO CC[C@H]1[NH2+][C@@H](C)Cc2ccccc21 82785542 573193019 /nfs/dbraw/zinc/19/30/19/573193019.db2.gz ARRQUISOBIYOJB-JOYOIKCWSA-N 1 0 175.275 2.672 10 0 AFAERO C[C@@H]1C[NH2+][C@@H](C2CCCCC2)C1 82786418 573193060 /nfs/dbraw/zinc/19/30/60/573193060.db2.gz FVTPTZXNEYKSGC-GXSJLCMTSA-N 1 0 167.296 2.565 10 0 AFAERO Cc1cccc2c1[C@H](C)[NH2+][C@@H](C)C2 82785461 573193066 /nfs/dbraw/zinc/19/30/66/573193066.db2.gz IKTJIVGKPGCEMB-UWVGGRQHSA-N 1 0 175.275 2.590 10 0 AFAERO Cc1cccc([C@@H]2[NH2+]CC[C@H]2C)c1C 82786167 573193093 /nfs/dbraw/zinc/19/30/93/573193093.db2.gz KBUQPPAFJAYACB-ZWNOBZJWSA-N 1 0 189.302 2.974 10 0 AFAERO C[C@H]1Cc2cc(F)cc(F)c2[C@@H](C)[NH2+]1 82785486 573193108 /nfs/dbraw/zinc/19/31/08/573193108.db2.gz YKDSUKWTXJVGIF-NKWVEPMBSA-N 1 0 197.228 2.560 10 0 AFAERO C[C@H]1C[NH2+][C@@H](c2cccc(F)c2F)C1 82786435 573193124 /nfs/dbraw/zinc/19/31/24/573193124.db2.gz LDQYRIOUUREHAZ-GMSGAONNSA-N 1 0 197.228 2.635 10 0 AFAERO C[C@@H]1C[NH2+][C@@H](c2cccc(F)c2F)C1 82786438 573194032 /nfs/dbraw/zinc/19/40/32/573194032.db2.gz LDQYRIOUUREHAZ-OIBJUYFYSA-N 1 0 197.228 2.635 10 0 AFAERO FCCC[NH2+][C@H]1CCCC[C@@H]1C1CC1 308516655 573194058 /nfs/dbraw/zinc/19/40/58/573194058.db2.gz NVZRPVFMSBMMFD-NEPJUHHUSA-N 1 0 199.313 2.904 10 0 AFAERO CC[C@@H]1[NH2+][C@H](C)Cc2cc(F)ccc21 82785494 573194084 /nfs/dbraw/zinc/19/40/84/573194084.db2.gz NXNFKEQRIBIIFP-PELKAZGASA-N 1 0 193.265 2.811 10 0 AFAERO c1ccc([C@H]2CC[NH2+][C@@H]2C2CC2)cc1 82786589 573194107 /nfs/dbraw/zinc/19/41/07/573194107.db2.gz BPXYGFBYSXDWBN-CHWSQXEVSA-N 1 0 187.286 2.542 10 0 AFAERO CC[C@@H]1[NH2+][C@H](C)Cc2cc(C)ccc21 82785405 573194116 /nfs/dbraw/zinc/19/41/16/573194116.db2.gz HIBHRVXQLPVSNI-MFKMUULPSA-N 1 0 189.302 2.980 10 0 AFAERO CC[N@H+](C)Cc1csc(Cl)c1 1142755748 758047061 /nfs/dbraw/zinc/04/70/61/758047061.db2.gz LNDRSXJSZCIUDQ-UHFFFAOYSA-N 1 0 189.711 2.853 10 0 AFAERO C[C@H]1Cc2c(F)ccc(F)c2[C@H](C)[NH2+]1 82785448 573194187 /nfs/dbraw/zinc/19/41/87/573194187.db2.gz ABFYWJBUXKSSHY-BQBZGAKWSA-N 1 0 197.228 2.560 10 0 AFAERO C[C@@H]1[NH2+][C@H](C)Cc2cc(F)cc(F)c21 82785483 573194362 /nfs/dbraw/zinc/19/43/62/573194362.db2.gz YKDSUKWTXJVGIF-RQJHMYQMSA-N 1 0 197.228 2.560 10 0 AFAERO CC[C@H](C)C[NH2+][C@@H]1[C@H]2CCCC[C@H]21 308302150 573194370 /nfs/dbraw/zinc/19/43/70/573194370.db2.gz MMRAMFLWFNLGAL-NNYUYHANSA-N 1 0 181.323 2.811 10 0 AFAERO CCC[C@@H]([NH2+]C)c1cnc(C)c(C)c1 308515971 573194379 /nfs/dbraw/zinc/19/43/79/573194379.db2.gz VDAIARIZCCHVDG-GFCCVEGCSA-N 1 0 192.306 2.759 10 0 AFAERO Cc1cccc([C@H]2[NH2+]CC[C@H]2C)c1C 82786164 573194401 /nfs/dbraw/zinc/19/44/01/573194401.db2.gz KBUQPPAFJAYACB-MFKMUULPSA-N 1 0 189.302 2.974 10 0 AFAERO CCc1ccccc1[C@@H]1[NH2+]CC[C@@H]1C 82786381 573194403 /nfs/dbraw/zinc/19/44/03/573194403.db2.gz HSLPJKKEAZKJEQ-GXFFZTMASA-N 1 0 189.302 2.920 10 0 AFAERO C[C@H]1CC[NH2+][C@H]1c1c(F)cccc1F 82786205 573194425 /nfs/dbraw/zinc/19/44/25/573194425.db2.gz QWJKFWHOQZCWRP-WRWORJQWSA-N 1 0 197.228 2.635 10 0 AFAERO Cc1ccc([C@H]2C[C@H](C)C[NH2+]2)cc1F 82786488 573194429 /nfs/dbraw/zinc/19/44/29/573194429.db2.gz WVVWSELECZFJCH-QPUJVOFHSA-N 1 0 193.265 2.805 10 0 AFAERO C[NH2+][C@H](C)[C@@H](F)C1CCCCC1 257966536 573198997 /nfs/dbraw/zinc/19/89/97/573198997.db2.gz YCGIXQOVWDDACW-PSASIEDQSA-N 1 0 173.275 2.513 10 0 AFAERO CCSc1ccc2c(c1)CC[C@@H]2[NH3+] 238310503 573199065 /nfs/dbraw/zinc/19/90/65/573199065.db2.gz YMJHJYKTKCGLID-NSHDSACASA-N 1 0 193.315 2.745 10 0 AFAERO C/C=C\C[N@@H+]1C[C@H](C)C[C@H](C)[C@@H]1C 308305740 573199171 /nfs/dbraw/zinc/19/91/71/573199171.db2.gz OGHSPAHEQKBXGF-QGDURGIVSA-N 1 0 181.323 2.929 10 0 AFAERO CC(=O)C[C@@H](C)[NH+]1CCCCCCC1 82791663 573199173 /nfs/dbraw/zinc/19/91/73/573199173.db2.gz WIJTZTLFUOMHDI-LLVKDONJSA-N 1 0 197.322 2.620 10 0 AFAERO Cc1cccc2oc([C@@H](C)C[NH3+])cc12 257967842 573199279 /nfs/dbraw/zinc/19/92/79/573199279.db2.gz UBWPFZAZEWMHOP-VIFPVBQESA-N 1 0 189.258 2.803 10 0 AFAERO Cc1cc(F)ccc1C1([C@@H](C)[NH3+])CC1 257967029 573198720 /nfs/dbraw/zinc/19/87/20/573198720.db2.gz CJPAMZNPHWVONY-SECBINFHSA-N 1 0 193.265 2.513 10 0 AFAERO C[C@H](C[NH3+])[C@@H]1c2cscc2C[C@@H]1C 257746972 573202372 /nfs/dbraw/zinc/20/23/72/573202372.db2.gz ZWWOTDBQGYLMAT-VAOFZXAKSA-N 1 0 195.331 2.619 10 0 AFAERO C[C@H]([NH3+])C[C@@H](C)c1cc(F)ccc1F 82808058 573202380 /nfs/dbraw/zinc/20/23/80/573202380.db2.gz OQBZZHPPPUWCBI-SFYZADRCSA-N 1 0 199.244 2.806 10 0 AFAERO C[NH2+][C@@H](C)[C@@H](F)c1ccccc1C 257969301 573202408 /nfs/dbraw/zinc/20/24/08/573202408.db2.gz YJOOSKOMUHMORN-GXSJLCMTSA-N 1 0 181.254 2.614 10 0 AFAERO Cc1ccc([C@@H](C)C[C@H](C)[NH3+])cc1 82807734 573202430 /nfs/dbraw/zinc/20/24/30/573202430.db2.gz KMTNADUHSNQQQM-QWRGUYRKSA-N 1 0 177.291 2.836 10 0 AFAERO Cc1cccc(-c2ccoc2C[NH3+])c1 235947457 573202462 /nfs/dbraw/zinc/20/24/62/573202462.db2.gz ACJYRAYDQCDACT-UHFFFAOYSA-N 1 0 187.242 2.714 10 0 AFAERO C[NH2+][C@H](C)[C@@H](F)c1ccccc1C 257969305 573202467 /nfs/dbraw/zinc/20/24/67/573202467.db2.gz YJOOSKOMUHMORN-MWLCHTKSSA-N 1 0 181.254 2.614 10 0 AFAERO C/C=C/C[N@@H+](C)[C@@H]1CCC[C@H]1SC 308307194 573202510 /nfs/dbraw/zinc/20/25/10/573202510.db2.gz OQPIFKVBEOCHHK-XKFHPXPTSA-N 1 0 199.363 2.778 10 0 AFAERO C[C@@H](C[C@@H](C)[NH3+])c1cc(F)cc(F)c1 82808036 573202586 /nfs/dbraw/zinc/20/25/86/573202586.db2.gz APXNUTSLAUOAQU-JGVFFNPUSA-N 1 0 199.244 2.806 10 0 AFAERO C[NH2+]C/C=C(/C)c1ccc(Cl)cc1 238310958 573202645 /nfs/dbraw/zinc/20/26/45/573202645.db2.gz ZMNJVXGRMNPBIL-CLFYSBASSA-N 1 0 195.693 2.963 10 0 AFAERO [NH3+]CCCC[C@@H]1CCCC[C@@H]1F 221259099 573202681 /nfs/dbraw/zinc/20/26/81/573202681.db2.gz WTXZEFPBWJIVFT-UWVGGRQHSA-N 1 0 173.275 2.644 10 0 AFAERO C[NH2+]CNc1c(C)cc(C)cc1Cl 258584128 573202682 /nfs/dbraw/zinc/20/26/82/573202682.db2.gz FKLYLEPWUABENC-UHFFFAOYSA-N 1 0 198.697 2.546 10 0 AFAERO F[C@H](C[C@@H]1CCC[NH2+]CC1)C1CC1 257969368 573202724 /nfs/dbraw/zinc/20/27/24/573202724.db2.gz YKZJQVDXTRMWDC-MWLCHTKSSA-N 1 0 185.286 2.514 10 0 AFAERO C/C=C\C[N@@H+](C)[C@@H]1CCC[C@@H]1SC 308307190 573202762 /nfs/dbraw/zinc/20/27/62/573202762.db2.gz OQPIFKVBEOCHHK-KWKBKKAHSA-N 1 0 199.363 2.778 10 0 AFAERO CCCCCCO[C@@H](C)C[C@H](C)[NH3+] 82805264 573202772 /nfs/dbraw/zinc/20/27/72/573202772.db2.gz ASFMHEFLRQEWJQ-QWRGUYRKSA-N 1 0 187.327 2.709 10 0 AFAERO C[NH2+]C/C=C(/C)c1ccc(F)c(C)c1 238311006 573202779 /nfs/dbraw/zinc/20/27/79/573202779.db2.gz IDCNXBLNBIRQMQ-TWGQIWQCSA-N 1 0 193.265 2.757 10 0 AFAERO C[NH2+][C@@H](C)[C@H](F)c1ccccc1C 257969306 573202790 /nfs/dbraw/zinc/20/27/90/573202790.db2.gz YJOOSKOMUHMORN-ONGXEEELSA-N 1 0 181.254 2.614 10 0 AFAERO CCc1ccc2c(c1)CC[NH2+][C@@H]2CC 82802541 573204672 /nfs/dbraw/zinc/20/46/72/573204672.db2.gz GWJJTYHZNPKMLR-CYBMUJFWSA-N 1 0 189.302 2.846 10 0 AFAERO C[C@@H](C[C@@H](C)[NH3+])c1cc(F)ccc1F 82808051 573204909 /nfs/dbraw/zinc/20/49/09/573204909.db2.gz OQBZZHPPPUWCBI-JGVFFNPUSA-N 1 0 199.244 2.806 10 0 AFAERO C[C@@H]([NH3+])C[C@@H](C)c1cc(F)ccc1F 82808055 573204999 /nfs/dbraw/zinc/20/49/99/573204999.db2.gz OQBZZHPPPUWCBI-HTQZYQBOSA-N 1 0 199.244 2.806 10 0 AFAERO C[C@@](C[NH3+])(CCCF)c1ccccc1 405174567 573205097 /nfs/dbraw/zinc/20/50/97/573205097.db2.gz PZGOMOZKGAKENF-LBPRGKRZSA-N 1 0 195.281 2.653 10 0 AFAERO C[C@@H](C[C@@H](C)[NH3+])c1ccc(F)cc1F 82808042 573205118 /nfs/dbraw/zinc/20/51/18/573205118.db2.gz QVAFWQYQHGPGEB-JGVFFNPUSA-N 1 0 199.244 2.806 10 0 AFAERO CCc1ccc2c(c1)CC[NH2+][C@H]2CC 82802542 573205165 /nfs/dbraw/zinc/20/51/65/573205165.db2.gz GWJJTYHZNPKMLR-ZDUSSCGKSA-N 1 0 189.302 2.846 10 0 AFAERO C[C@H]([NH3+])C[C@@H](C)C1CCCCC1 82808123 573207922 /nfs/dbraw/zinc/20/79/22/573207922.db2.gz RBYAZNSHCCGOLR-ZJUUUORDSA-N 1 0 169.312 2.940 10 0 AFAERO Cc1cccc([C@H](C)C[C@@H](C)[NH3+])c1 82808307 573207981 /nfs/dbraw/zinc/20/79/81/573207981.db2.gz NUTOYDMCQSSPJP-GHMZBOCLSA-N 1 0 177.291 2.836 10 0 AFAERO CC[NH2+][C@H](C(C)C)[C@@H]1C[C@H](C)[C@@H]1C 308310427 573207982 /nfs/dbraw/zinc/20/79/82/573207982.db2.gz QZJHNLVSVYGFOV-NNYUYHANSA-N 1 0 183.339 2.913 10 0 AFAERO CC(C)=CCC[NH2+][C@@H]1CCS[C@@H]1C 308310351 573208058 /nfs/dbraw/zinc/20/80/58/573208058.db2.gz QXDCRYJVMZTBQL-GHMZBOCLSA-N 1 0 199.363 2.826 10 0 AFAERO C[NH2+][C@H](C)C[C@H](C)C(C)(C)C 82808826 573208147 /nfs/dbraw/zinc/20/81/47/573208147.db2.gz LUBDGQQLDVECGJ-DTWKUNHWSA-N 1 0 157.301 2.667 10 0 AFAERO Cc1cccc([C@H](C)C[C@H](C)[NH3+])c1 82808313 573208168 /nfs/dbraw/zinc/20/81/68/573208168.db2.gz NUTOYDMCQSSPJP-MNOVXSKESA-N 1 0 177.291 2.836 10 0 AFAERO C[C@@H]([NH3+])C[C@@H](C)c1ccc(F)c(F)c1 82808222 573208282 /nfs/dbraw/zinc/20/82/82/573208282.db2.gz CEHYVLMLPIKMEG-HTQZYQBOSA-N 1 0 199.244 2.806 10 0 AFAERO C[C@H]([NH3+])CC(C)(C)c1cccc(F)c1 82816450 573208355 /nfs/dbraw/zinc/20/83/55/573208355.db2.gz HPXYLFXHWBMJTN-VIFPVBQESA-N 1 0 195.281 2.841 10 0 AFAERO Cc1cc(F)ccc1[C@@H](C)C[C@@H](C)[NH3+] 82808198 573208391 /nfs/dbraw/zinc/20/83/91/573208391.db2.gz XAPOZOWDWAONLI-WCBMZHEXSA-N 1 0 195.281 2.975 10 0 AFAERO Cc1ccc([C@@H](C)F)cc1/C=C/C[NH3+] 257964825 573208450 /nfs/dbraw/zinc/20/84/50/573208450.db2.gz CBIGOICZFXOUCO-HMDXOVGESA-N 1 0 193.265 2.997 10 0 AFAERO C[C@@H]([NH3+])CC(C)(C)c1ccccc1F 82816411 573208451 /nfs/dbraw/zinc/20/84/51/573208451.db2.gz WYHCQQNJKDTCEA-SECBINFHSA-N 1 0 195.281 2.841 10 0 AFAERO CC[C@H]1C[NH2+]CC2(CCCCC2)C1 238313018 573208453 /nfs/dbraw/zinc/20/84/53/573208453.db2.gz FYWSCFGEIBOMMB-LLVKDONJSA-N 1 0 181.323 2.956 10 0 AFAERO Cc1cc([C@@H](C)C[C@H](C)[NH3+])ccc1F 82808582 573211504 /nfs/dbraw/zinc/21/15/04/573211504.db2.gz GCKXJMVTTHYDEJ-WPRPVWTQSA-N 1 0 195.281 2.975 10 0 AFAERO C[C@H]([NH3+])C[C@H](C)c1cccc(F)c1 82808318 573211562 /nfs/dbraw/zinc/21/15/62/573211562.db2.gz DOKPASRYMWKFFG-IUCAKERBSA-N 1 0 181.254 2.667 10 0 AFAERO C[NH2+][C@@H](C)c1cccc(Cl)c1F 82816062 573211581 /nfs/dbraw/zinc/21/15/81/573211581.db2.gz MGECKRGNWZVKFI-LURJTMIESA-N 1 0 187.645 2.760 10 0 AFAERO CCC[C@@H]1[NH2+]Cc2ccc(C)cc21 221266676 573211594 /nfs/dbraw/zinc/21/15/94/573211594.db2.gz CZCLIJPCJYSGNY-LBPRGKRZSA-N 1 0 175.275 2.939 10 0 AFAERO C[C@H]([NH3+])C[C@H](C)C1CCCCC1 82808121 573211597 /nfs/dbraw/zinc/21/15/97/573211597.db2.gz RBYAZNSHCCGOLR-UWVGGRQHSA-N 1 0 169.312 2.940 10 0 AFAERO CC[C@@](C)([NH3+])C[C@@H]1CC1(C)C 642878060 573214299 /nfs/dbraw/zinc/21/42/99/573214299.db2.gz ZPNNHCHHFVKDNO-WCBMZHEXSA-N 1 0 155.285 2.550 10 0 AFAERO CCSCCC(C)(C)CC[NH3+] 132112884 573214312 /nfs/dbraw/zinc/21/43/12/573214312.db2.gz GUKKTIHQMMZGIP-UHFFFAOYSA-N 1 0 175.341 2.505 10 0 AFAERO [NH3+][C@H]1CCC[C@H](SC2CCCC2)C1 82819567 573214389 /nfs/dbraw/zinc/21/43/89/573214389.db2.gz PPWRDTZSOCDEAL-ONGXEEELSA-N 1 0 199.363 2.932 10 0 AFAERO [NH3+][C@@H]1CC[C@H](Sc2ccccc2)C1 82820823 573214397 /nfs/dbraw/zinc/21/43/97/573214397.db2.gz AOOUPCCBIJZZBN-KOLCDFICSA-N 1 0 193.315 2.659 10 0 AFAERO [NH3+][C@H]1CC[C@H](SC2CCCCC2)C1 82821108 573214444 /nfs/dbraw/zinc/21/44/44/573214444.db2.gz BPXIXFGVVIQEBT-ONGXEEELSA-N 1 0 199.363 2.932 10 0 AFAERO CC[C@@H](C[NH3+])Cc1sccc1C 259379150 573214543 /nfs/dbraw/zinc/21/45/43/573214543.db2.gz NBYZATGPSGJSEC-SECBINFHSA-N 1 0 183.320 2.584 10 0 AFAERO CCC1([C@H]2[NH2+]C[C@@H]2C2CCC2)CCC1 686135024 573214548 /nfs/dbraw/zinc/21/45/48/573214548.db2.gz ZVCVCRAYNWVRBY-NEPJUHHUSA-N 1 0 193.334 2.955 10 0 AFAERO CC(C)CS[C@@H]1CCC[C@H]([NH3+])C1 82818963 573214637 /nfs/dbraw/zinc/21/46/37/573214637.db2.gz GETPCNSGGWUJDM-VHSXEESVSA-N 1 0 187.352 2.646 10 0 AFAERO CCC[NH2+][C@H](COC)C1(C)CCCC1 132113692 573214652 /nfs/dbraw/zinc/21/46/52/573214652.db2.gz ZKNDPBMNHJMQJL-LLVKDONJSA-N 1 0 199.338 2.581 10 0 AFAERO CCO[C@@H]1CCC[C@@H]1[NH2+]CCC(C)C 308517548 573218000 /nfs/dbraw/zinc/21/80/00/573218000.db2.gz NLGXYFQIOWAAHE-NWDGAFQWSA-N 1 0 199.338 2.580 10 0 AFAERO C[C@H]1CC(CCC[NH3+])C[C@H](C)C1 82833973 573218069 /nfs/dbraw/zinc/21/80/69/573218069.db2.gz YAWDJVVIPKKOLG-NXEZZACHSA-N 1 0 169.312 2.798 10 0 AFAERO C[NH2+]CCCC[C@H](C)C(C)C 226086157 573218137 /nfs/dbraw/zinc/21/81/37/573218137.db2.gz NSUAJURBRAOSGS-JTQLQIEISA-N 1 0 157.301 2.668 10 0 AFAERO C[C@@H]1CC(OCC(C)(C)[NH3+])C[C@@H](C)C1 82832902 573218156 /nfs/dbraw/zinc/21/81/56/573218156.db2.gz LEIRWPVZXIOSIS-UWVGGRQHSA-N 1 0 199.338 2.565 10 0 AFAERO C[C@H]1CC(OCC(C)(C)[NH3+])C[C@H](C)C1 82832903 573218243 /nfs/dbraw/zinc/21/82/43/573218243.db2.gz LEIRWPVZXIOSIS-NXEZZACHSA-N 1 0 199.338 2.565 10 0 AFAERO 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/nfs/dbraw/zinc/91/71/51/572917151.db2.gz FNVOATGJXVDPCA-MNOVXSKESA-N 1 0 199.338 2.580 10 0 AFAERO CCn1cc[nH+]c1NC1(C)CCCC1 50614166 572917180 /nfs/dbraw/zinc/91/71/80/572917180.db2.gz MVCDDLUCXKTHNM-UHFFFAOYSA-N 1 0 193.294 2.648 10 0 AFAERO CCCC[C@@H](CCC1CC1)[NH2+]C 86315258 572917186 /nfs/dbraw/zinc/91/71/86/572917186.db2.gz YUTRYYSWAYSCFW-NSHDSACASA-N 1 0 169.312 2.955 10 0 AFAERO CCCC[C@@H]([NH2+]C)c1ccc(C)nc1 86315230 572917230 /nfs/dbraw/zinc/91/72/30/572917230.db2.gz DQOUHGIBLNYJSD-GFCCVEGCSA-N 1 0 192.306 2.841 10 0 AFAERO CC[C@@H](C[NH2+]C)c1ccccc1C 86337056 572917255 /nfs/dbraw/zinc/91/72/55/572917255.db2.gz KROOPKCTSSYLHW-NSHDSACASA-N 1 0 177.291 2.708 10 0 AFAERO CCCC[C@H](CC1CCOCC1)[NH2+]C 86315156 572917269 /nfs/dbraw/zinc/91/72/69/572917269.db2.gz PCADIXYQDJKQSK-GFCCVEGCSA-N 1 0 199.338 2.581 10 0 AFAERO FC(F)[C@@]12CCCC[C@H]1[NH2+]CCC2 257829720 573573231 /nfs/dbraw/zinc/57/32/31/573573231.db2.gz IUPWBCFZJJMPRE-PSASIEDQSA-N 1 0 189.249 2.564 10 0 AFAERO CC[C@H]1[NH2+]CCc2c(C)ccc(F)c21 83626878 573573254 /nfs/dbraw/zinc/57/32/54/573573254.db2.gz PQINCPBPBGKAKV-LLVKDONJSA-N 1 0 193.265 2.731 10 0 AFAERO FC(F)[C@]12CCCC[C@@H]1[NH2+]CCC2 257829723 573573266 /nfs/dbraw/zinc/57/32/66/573573266.db2.gz IUPWBCFZJJMPRE-WPRPVWTQSA-N 1 0 189.249 2.564 10 0 AFAERO CCC[C@H](C[NH2+]C)c1cccc(F)c1 86366801 572925497 /nfs/dbraw/zinc/92/54/97/572925497.db2.gz PBRDHVLEQXLWNN-LLVKDONJSA-N 1 0 195.281 2.929 10 0 AFAERO CCC[C@H](C[NH2+]C)c1ccc(F)cc1 86364619 572925536 /nfs/dbraw/zinc/92/55/36/572925536.db2.gz FNEXXSWHTJZWNS-LLVKDONJSA-N 1 0 195.281 2.929 10 0 AFAERO CC[C@H](C)[NH2+]Cc1cc(OC)cs1 88028544 572937877 /nfs/dbraw/zinc/93/78/77/572937877.db2.gz HENNYFGIKFMSKA-QMMMGPOBSA-N 1 0 199.319 2.645 10 0 AFAERO CC(C)(C)SCCC1=C[C@@H]([NH3+])CC1 308195054 572925954 /nfs/dbraw/zinc/92/59/54/572925954.db2.gz QKZFGEASTDRFBP-JTQLQIEISA-N 1 0 199.363 2.956 10 0 AFAERO CC(C)(C)SCCC1=C[C@H]([NH3+])CC1 308195055 572926000 /nfs/dbraw/zinc/92/60/00/572926000.db2.gz QKZFGEASTDRFBP-SNVBAGLBSA-N 1 0 199.363 2.956 10 0 AFAERO CC[C@H](C)S[C@@H](C[NH3+])[C@H](C)CC 86387469 572930020 /nfs/dbraw/zinc/93/00/20/572930020.db2.gz PITPVDPUDUVRNB-UTLUCORTSA-N 1 0 189.368 2.892 10 0 AFAERO CC[C@@H](C)[C@H]([NH2+]C)c1ncccc1C 86390814 572930111 /nfs/dbraw/zinc/93/01/11/572930111.db2.gz CWSFIGAIGWYCMD-KOLCDFICSA-N 1 0 192.306 2.697 10 0 AFAERO CC[NH2+][C@H]([C@H](C)CC)[C@@H]1C[C@@H]1C 86392248 572930114 /nfs/dbraw/zinc/93/01/14/572930114.db2.gz ISTMIHBQXIYNCK-LMLFDSFASA-N 1 0 169.312 2.667 10 0 AFAERO CCC[C@]1([C@H](C)CC)CCC[NH2+]1 86392505 572930116 /nfs/dbraw/zinc/93/01/16/572930116.db2.gz FBFZMFINMNNBLM-GHMZBOCLSA-N 1 0 169.312 2.955 10 0 AFAERO C[C@@H](Cc1ccccc1)[NH2+]CCCF 88024918 572930193 /nfs/dbraw/zinc/93/01/93/572930193.db2.gz GXCVWNFRQVFEAV-NSHDSACASA-N 1 0 195.281 2.567 10 0 AFAERO CSC1(/C=C(\C[NH3+])C(C)C)CCC1 308205464 572933387 /nfs/dbraw/zinc/93/33/87/572933387.db2.gz YMQWFKNOTKQAQA-JXMROGBWSA-N 1 0 199.363 2.813 10 0 AFAERO C[C@@H]1CC[C@@H]([N@H+](C)CCC2CC2)C1 308204670 572933415 /nfs/dbraw/zinc/93/34/15/572933415.db2.gz XPCKOPJFLIMCEX-ZYHUDNBSSA-N 1 0 181.323 2.907 10 0 AFAERO C=C/C=C/CC[C@H]([NH2+]C)C1(C)CC1 713639701 572933417 /nfs/dbraw/zinc/93/34/17/572933417.db2.gz CMSNRZTWZYYMDV-QRGHLMKCSA-N 1 0 179.307 2.897 10 0 AFAERO CC(C)CC[C@@H]([NH3+])c1cccc(N)c1 238115035 572937454 /nfs/dbraw/zinc/93/74/54/572937454.db2.gz DOVRZCGAJICHNP-GFCCVEGCSA-N 1 0 192.306 2.705 10 0 AFAERO CC(C)NC(=[NH2+])C(C(C)C)C(C)C 308195209 572937707 /nfs/dbraw/zinc/93/77/07/572937707.db2.gz QMCNRMSHEUMZNP-UHFFFAOYSA-N 1 0 184.327 2.890 10 0 AFAERO C[NH2+]C[C@@H]1[C@H](C)CCCC1(C)C 107405362 573576917 /nfs/dbraw/zinc/57/69/17/573576917.db2.gz XCEJFWMOBWXTQB-NXEZZACHSA-N 1 0 169.312 2.668 10 0 AFAERO C[C@H](CC(C)(C)C)[C@@H]1CCC[NH2+]1 107405241 573576663 /nfs/dbraw/zinc/57/66/63/573576663.db2.gz PIYWSJHRJIKAFN-ZJUUUORDSA-N 1 0 169.312 2.811 10 0 AFAERO C[C@H]([NH3+])[C@H]1CCCC12CCCC2 107404045 573576697 /nfs/dbraw/zinc/57/66/97/573576697.db2.gz MCZWYKBXQFVFIM-VHSXEESVSA-N 1 0 167.296 2.694 10 0 AFAERO Cc1cc2ccsc2cc1CC[NH3+] 75458294 573576733 /nfs/dbraw/zinc/57/67/33/573576733.db2.gz GZPWXDSEXVIKED-UHFFFAOYSA-N 1 0 191.299 2.711 10 0 AFAERO C[NH2+]C[C@H]1CCCCCC12CC2 107404110 573576737 /nfs/dbraw/zinc/57/67/37/573576737.db2.gz NIHFYMOPMIHXKJ-SNVBAGLBSA-N 1 0 167.296 2.566 10 0 AFAERO CC(C)=CC[NH2+]C[C@H]1CCCSC1 308197505 572940220 /nfs/dbraw/zinc/94/02/20/572940220.db2.gz SCRQQIXQCFBQMX-LLVKDONJSA-N 1 0 199.363 2.685 10 0 AFAERO CCC(CC)(CC)NC1=[NH+]CCC1 86455870 572940222 /nfs/dbraw/zinc/94/02/22/572940222.db2.gz GIYSNRGGTJHKSI-UHFFFAOYSA-N 1 0 182.311 2.737 10 0 AFAERO Cc1ccc([C@H]([NH3+])CC2CC2)cc1F 78677254 573576774 /nfs/dbraw/zinc/57/67/74/573576774.db2.gz NQCCWXKFKYSSBV-GFCCVEGCSA-N 1 0 193.265 2.934 10 0 AFAERO C[C@@H](C[NH3+])[C@H]1CCCCC1(C)C 107405286 573576775 /nfs/dbraw/zinc/57/67/75/573576775.db2.gz VLCVICKMRMKCCF-VHSXEESVSA-N 1 0 169.312 2.798 10 0 AFAERO CCCc1ccc([C@H]2CC[NH2+]2)cc1 78678069 573576779 /nfs/dbraw/zinc/57/67/79/573576779.db2.gz FTXCNDXHYSKAQQ-GFCCVEGCSA-N 1 0 175.275 2.674 10 0 AFAERO CC[C@@H](C)C[C@H](C)NC1=[NH+]CCCC1 86455937 572941402 /nfs/dbraw/zinc/94/14/02/572941402.db2.gz SEWCCTUZSNRXLN-MNOVXSKESA-N 1 0 196.338 2.983 10 0 AFAERO CC(C)CCCNC1=[NH+]CCCC1 86454843 572941408 /nfs/dbraw/zinc/94/14/08/572941408.db2.gz CSSXSUPNOGCKSG-UHFFFAOYSA-N 1 0 182.311 2.595 10 0 AFAERO CCCC[C@H](C)NC1=[NH+]CCCC1 86455356 572941432 /nfs/dbraw/zinc/94/14/32/572941432.db2.gz KAVOENIRHSBSHY-JTQLQIEISA-N 1 0 182.311 2.737 10 0 AFAERO CC(C)CC[C@@H](C)NC1=[NH+]CCCC1 86455624 572941447 /nfs/dbraw/zinc/94/14/47/572941447.db2.gz GCIFCBINLAEEDL-LLVKDONJSA-N 1 0 196.338 2.983 10 0 AFAERO CC[C@H](CC1CC1)NC1=[NH+]CCCC1 86455648 572941449 /nfs/dbraw/zinc/94/14/49/572941449.db2.gz HUBXJEIVVSJQQL-LLVKDONJSA-N 1 0 194.322 2.737 10 0 AFAERO C/C=C\COC[C@@H](C)C[NH2+]C(C)(C)C 308209322 572941463 /nfs/dbraw/zinc/94/14/63/572941463.db2.gz APCDJQIAFRPEGG-ZADCQDASSA-N 1 0 199.338 2.603 10 0 AFAERO C/C=C\COC[C@H](C)C[NH2+]C(C)(C)C 308209321 572941481 /nfs/dbraw/zinc/94/14/81/572941481.db2.gz APCDJQIAFRPEGG-JMEBYUIHSA-N 1 0 199.338 2.603 10 0 AFAERO CCOC[C@@]1(C(C)C)CCCCC[NH2+]1 86527200 572947883 /nfs/dbraw/zinc/94/78/83/572947883.db2.gz SLDWDFGWDCBSGY-GFCCVEGCSA-N 1 0 199.338 2.581 10 0 AFAERO CCC[NH2+][C@@H]1CCC[C@H]1COC(C)C 86527956 572947909 /nfs/dbraw/zinc/94/79/09/572947909.db2.gz COZMTTDNYOYYDY-NWDGAFQWSA-N 1 0 199.338 2.580 10 0 AFAERO CCCOC[C@@]1(CC)CCCCC[NH2+]1 86527176 572947920 /nfs/dbraw/zinc/94/79/20/572947920.db2.gz XFYUVIZSDDSKGE-GFCCVEGCSA-N 1 0 199.338 2.725 10 0 AFAERO CCCC[C@@H](COC(C)C)[NH2+]CC 86527286 572947940 /nfs/dbraw/zinc/94/79/40/572947940.db2.gz LPXWKIRKIDWRSZ-NSHDSACASA-N 1 0 187.327 2.580 10 0 AFAERO CC[NH2+][C@@H]1CCCC[C@H]1COC(C)C 86527829 572947975 /nfs/dbraw/zinc/94/79/75/572947975.db2.gz RGNBYXCGORKNPY-NWDGAFQWSA-N 1 0 199.338 2.580 10 0 AFAERO CCCC[C@@H](COCC)[NH2+]C(C)C 86527303 572947976 /nfs/dbraw/zinc/94/79/76/572947976.db2.gz HEGQXLMPFXLAPK-NSHDSACASA-N 1 0 187.327 2.580 10 0 AFAERO C[C@H](C[NH3+])[C@H]1CCCCC12CC2 107403962 573576855 /nfs/dbraw/zinc/57/68/55/573576855.db2.gz HMGXPRCOZFGXOT-NXEZZACHSA-N 1 0 167.296 2.552 10 0 AFAERO [NH3+][C@H]1CCCCC12CCCCC2 107404188 573576862 /nfs/dbraw/zinc/57/68/62/573576862.db2.gz WDIVXYOUSUTMSD-JTQLQIEISA-N 1 0 167.296 2.838 10 0 AFAERO Cc1cc2c(cc1C)[C@H](C)C[NH2+]C2 58518843 572952797 /nfs/dbraw/zinc/95/27/97/572952797.db2.gz TUGXDOVGGUFWKZ-SNVBAGLBSA-N 1 0 175.275 2.510 10 0 AFAERO CC(C)C[C@H](C)[C@@H]1CCC[NH2+]C1 107405210 573576895 /nfs/dbraw/zinc/57/68/95/573576895.db2.gz DJAUEDXNXHEWMQ-WDEREUQCSA-N 1 0 169.312 2.668 10 0 AFAERO CC(C)C[C@H]1C[NH2+]Cc2ccccc21 58521087 572953594 /nfs/dbraw/zinc/95/35/94/572953594.db2.gz FMKUCLPXTHIZDZ-LBPRGKRZSA-N 1 0 189.302 2.920 10 0 AFAERO CC[C@@H]([NH3+])c1cccc(Cl)c1F 78677115 573576903 /nfs/dbraw/zinc/57/69/03/573576903.db2.gz KGRDUTWOHVDWGJ-MRVPVSSYSA-N 1 0 187.645 2.889 10 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192.306 2.690 10 0 AFAERO C[C@@H]1[C@@H]([NH3+])CC[C@H]1c1ccc(F)cc1 83032368 573363377 /nfs/dbraw/zinc/36/33/77/573363377.db2.gz SFDCCBADYFUHKT-AXTRIDKLSA-N 1 0 193.265 2.667 10 0 AFAERO CCc1cnccc1[C@@H]([NH3+])[C@@H](C)CC 132987581 573363422 /nfs/dbraw/zinc/36/34/22/573363422.db2.gz BVCHNMWDUJGZJU-CABZTGNLSA-N 1 0 192.306 2.690 10 0 AFAERO C[C@@]1(CC[C@@H]2CCSC2)CCC[NH2+]1 258316391 573363434 /nfs/dbraw/zinc/36/34/34/573363434.db2.gz VUAKFKFGPSURHY-MNOVXSKESA-N 1 0 199.363 2.662 10 0 AFAERO C[C@@H](CC1CC1)[NH2+]C[C@H](C)C1CC1 132936860 573363518 /nfs/dbraw/zinc/36/35/18/573363518.db2.gz KBFGUJYSJOITLU-UWVGGRQHSA-N 1 0 181.323 2.811 10 0 AFAERO CC(C)(C[NH2+]C1CC1)C1CCCC1 129716886 573363573 /nfs/dbraw/zinc/36/35/73/573363573.db2.gz UVYJXNMNCJQMJT-UHFFFAOYSA-N 1 0 181.323 2.955 10 0 AFAERO C(=C\c1ccco1)\C[NH2+]CC1CCC1 308369957 573363637 /nfs/dbraw/zinc/36/36/37/573363637.db2.gz ATYQVILTSKGTSO-KXFIGUGUSA-N 1 0 191.274 2.683 10 0 AFAERO CC[NH2+][C@@H]1CC[C@@H](c2ccoc2)[C@@H]1C 83034350 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2.940 10 0 AFAERO C[C@H](C[NH2+][C@@H](C)C1(C)CC1)C1CC1 132948747 573368256 /nfs/dbraw/zinc/36/82/56/573368256.db2.gz VQUHHBUERPLUNQ-ZJUUUORDSA-N 1 0 181.323 2.811 10 0 AFAERO CCc1ccsc1[C@@H]([NH2+]C)C1CC1 129762613 573368323 /nfs/dbraw/zinc/36/83/23/573368323.db2.gz SHYTWJIAUHIZNF-JTQLQIEISA-N 1 0 195.331 2.981 10 0 AFAERO CC1(C)C[C@H]([C@H]2CCCCS2)C[NH2+]1 258325864 573368380 /nfs/dbraw/zinc/36/83/80/573368380.db2.gz WMXPOTXPKOETJD-VHSXEESVSA-N 1 0 199.363 2.660 10 0 AFAERO Cc1cccc([C@H]2CCC[NH2+]CC2)c1 107134182 573368474 /nfs/dbraw/zinc/36/84/74/573368474.db2.gz HHGKSCABXQPQMY-LBPRGKRZSA-N 1 0 189.302 2.852 10 0 AFAERO CC[NH2+][C@H](COC(C)C)C1(CC)CC1 308563433 573368649 /nfs/dbraw/zinc/36/86/49/573368649.db2.gz YUGJCNKRTXPJBA-LLVKDONJSA-N 1 0 199.338 2.580 10 0 AFAERO Cc1ccccc1[C@@H]1CCC[NH2+]CC1 107134190 573368655 /nfs/dbraw/zinc/36/86/55/573368655.db2.gz GLVBXDOBFKGYDP-GFCCVEGCSA-N 1 0 189.302 2.852 10 0 AFAERO Cc1cnccc1[C@H]([NH3+])CCCCF 308563821 573368662 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CC(C)CCOC[C@@H]1CCC[C@H](C)[NH2+]1 308567101 573381247 /nfs/dbraw/zinc/38/12/47/573381247.db2.gz IFNHAYXRDDIIQS-RYUDHWBXSA-N 1 0 199.338 2.580 10 0 AFAERO CC[C@@H](F)C[N@H+](CC1CC1)C1CC1 308378269 573381327 /nfs/dbraw/zinc/38/13/27/573381327.db2.gz TYPCGKAIWXIGLC-SNVBAGLBSA-N 1 0 185.286 2.609 10 0 AFAERO CCCCC(=O)C[C@H]1CCCC[C@H]1[NH3+] 308568238 573380678 /nfs/dbraw/zinc/38/06/78/573380678.db2.gz IVXWZLZLCTXUQB-ZYHUDNBSSA-N 1 0 197.322 2.653 10 0 AFAERO Cc1cc(CC2([NH3+])CC2)cc(C)c1C 258011393 573380694 /nfs/dbraw/zinc/38/06/94/573380694.db2.gz HJUNNUITTLRHJF-UHFFFAOYSA-N 1 0 189.302 2.646 10 0 AFAERO CCC[C@H](C)C[NH2+][C@@H]1CC[C@@H]2C[C@@H]21 308371842 573380712 /nfs/dbraw/zinc/38/07/12/573380712.db2.gz QNIOGXLBPNPMFF-WHOHXGKFSA-N 1 0 181.323 2.811 10 0 AFAERO CC(C)CCOC[C@H]1CCC[C@H](C)[NH2+]1 308567100 573380730 /nfs/dbraw/zinc/38/07/30/573380730.db2.gz IFNHAYXRDDIIQS-NWDGAFQWSA-N 1 0 199.338 2.580 10 0 AFAERO CC[C@H]1C[C@@H]1[NH2+]Cc1cc(C)oc1C 308567335 573380816 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/nfs/dbraw/zinc/65/48/95/573654895.db2.gz OCUWSVGSQGZPLU-JTQLQIEISA-N 1 0 177.291 2.572 10 0 AFAERO C[C@H](F)c1ccc(CC2([NH3+])CC2)cc1 258083238 573654990 /nfs/dbraw/zinc/65/49/90/573654990.db2.gz NGVYJYUGLQWSDU-VIFPVBQESA-N 1 0 193.265 2.751 10 0 AFAERO CCC[C@](C)(F)[C@H]1CCC[NH2+]CC1 257841260 573655071 /nfs/dbraw/zinc/65/50/71/573655071.db2.gz MFIJSUVNLQCPMF-QWRGUYRKSA-N 1 0 187.302 2.904 10 0 AFAERO FC(F)c1cccc([C@H]2CC[NH2+]C2)c1 96868770 573655162 /nfs/dbraw/zinc/65/51/62/573655162.db2.gz QJQCJIGUWZNYBL-JTQLQIEISA-N 1 0 197.228 2.701 10 0 AFAERO CCc1ccsc1CCC1([NH3+])CC1 257841228 573655249 /nfs/dbraw/zinc/65/52/49/573655249.db2.gz MESCKLGOMZUMGH-UHFFFAOYSA-N 1 0 195.331 2.734 10 0 AFAERO C[C@@H]1C[C@@H]([C@@H]2CCCS2)C(C)(C)[NH2+]1 238471081 573655274 /nfs/dbraw/zinc/65/52/74/573655274.db2.gz OVOVANKBJCDWNW-UTLUCORTSA-N 1 0 199.363 2.659 10 0 AFAERO CC(C)[C@H]1c2ccccc2CC[C@H]1[NH3+] 258081523 573655276 /nfs/dbraw/zinc/65/52/76/573655276.db2.gz ICYUQPOMAFFZMR-OLZOCXBDSA-N 1 0 189.302 2.700 10 0 AFAERO CC(C)([NH3+])CCCNc1cccs1 258835891 573655292 /nfs/dbraw/zinc/65/52/92/573655292.db2.gz GKUQJQGFRZEIQV-UHFFFAOYSA-N 1 0 198.335 2.678 10 0 AFAERO Cc1ccn2c(CC(C)C)[nH+]cc2c1 258082892 573655423 /nfs/dbraw/zinc/65/54/23/573655423.db2.gz DZHGAJMXWWJPPJ-UHFFFAOYSA-N 1 0 188.274 2.841 10 0 AFAERO CCc1cccc([C@H](C)C[NH2+]C)c1 257841164 573655497 /nfs/dbraw/zinc/65/54/97/573655497.db2.gz OCUWSVGSQGZPLU-SNVBAGLBSA-N 1 0 177.291 2.572 10 0 AFAERO CCc1csc2c1[C@@H]([NH3+])CCC2 75624944 573657164 /nfs/dbraw/zinc/65/71/64/573657164.db2.gz MKGVTBDGNCPYAX-QMMMGPOBSA-N 1 0 181.304 2.647 10 0 AFAERO CCCCC[C@H]([NH3+])c1ncccc1F 126733662 573657205 /nfs/dbraw/zinc/65/72/05/573657205.db2.gz SYMRLQHCLKPUSA-JTQLQIEISA-N 1 0 196.269 2.801 10 0 AFAERO C[NH2+][C@@H](C)c1cccc2cc(C)[nH]c12 258081761 573657274 /nfs/dbraw/zinc/65/72/74/573657274.db2.gz MVMCLWSVFWVJIE-VIFPVBQESA-N 1 0 188.274 2.757 10 0 AFAERO CCc1ccc([C@@H](C)C[NH3+])cc1Cl 257841170 573657320 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199.313 2.904 10 0 AFAERO CCSc1cccc([C@H](C)C[NH3+])c1 257843117 573659181 /nfs/dbraw/zinc/65/91/81/573659181.db2.gz OXLFDUSFEQJOHR-SECBINFHSA-N 1 0 195.331 2.861 10 0 AFAERO C[C@@H]1C[C@H](c2c[nH]c3ccccc23)[NH2+]1 259153422 573659189 /nfs/dbraw/zinc/65/91/89/573659189.db2.gz KNKFHDCLDJSCJR-PRHODGIISA-N 1 0 186.258 2.591 10 0 AFAERO C1CCC(C2C[C@H]3C[NH2+]C[C@@H]3C2)CC1 259543111 573659230 /nfs/dbraw/zinc/65/92/30/573659230.db2.gz BWJWYCBCXVVMJH-STQMWFEESA-N 1 0 193.334 2.812 10 0 AFAERO [NH3+]C1([C@H](c2ccccc2)C(F)F)CC1 257843369 573659278 /nfs/dbraw/zinc/65/92/78/573659278.db2.gz MYAQBWDMKKMVCP-SECBINFHSA-N 1 0 197.228 2.527 10 0 AFAERO [NH3+]C[C@H](CC1CCCC1)C(F)(F)F 257842470 573659299 /nfs/dbraw/zinc/65/92/99/573659299.db2.gz CBMIUWSPAPEJCI-QMMMGPOBSA-N 1 0 195.228 2.704 10 0 AFAERO CCC[C@@]1([NH3+])CCCC1(C)C 86865733 573659335 /nfs/dbraw/zinc/65/93/35/573659335.db2.gz RLIKRVMBBNYZHV-SNVBAGLBSA-N 1 0 155.285 2.694 10 0 AFAERO CC[NH2+]Cc1cc2cccc(F)c2o1 83820072 573659467 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573805896 /nfs/dbraw/zinc/80/58/96/573805896.db2.gz KMCFHWUEIFWFRC-WCQYABFASA-N 1 0 189.302 2.762 10 0 AFAERO CCC(CC)CC1CC[NH2+]CC1 87171789 573805914 /nfs/dbraw/zinc/80/59/14/573805914.db2.gz MPKCAZFATIVKLA-UHFFFAOYSA-N 1 0 169.312 2.812 10 0 AFAERO CC[C@@H](C)C1(C[NH3+])CCCCC1 87172396 573805940 /nfs/dbraw/zinc/80/59/40/573805940.db2.gz SPTGCLRFKWGEMA-SNVBAGLBSA-N 1 0 169.312 2.942 10 0 AFAERO CC[C@@H](CCCCCSC)[NH2+]C 131288629 573806029 /nfs/dbraw/zinc/80/60/29/573806029.db2.gz YAWUZAWSTGIFQO-JTQLQIEISA-N 1 0 189.368 2.908 10 0 AFAERO CC[NH2+][C@@H](Cc1ccco1)C1CCC1 131271780 573806219 /nfs/dbraw/zinc/80/62/19/573806219.db2.gz IEEKAPYLSDGOKG-LBPRGKRZSA-N 1 0 193.290 2.600 10 0 AFAERO [NH3+]C1(CCC2(F)CCCCC2)CC1 257878783 573806319 /nfs/dbraw/zinc/80/63/19/573806319.db2.gz LPTFGJZNFLWIMR-UHFFFAOYSA-N 1 0 185.286 2.930 10 0 AFAERO CC[C@@H]1c2cc(C)ccc2CC[C@@H]1[NH3+] 258132670 573806331 /nfs/dbraw/zinc/80/63/31/573806331.db2.gz KMCFHWUEIFWFRC-YPMHNXCESA-N 1 0 189.302 2.762 10 0 AFAERO 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185.286 2.657 10 0 AFAERO CC1(C)CCC(COCCC[NH3+])CC1 308468551 573938993 /nfs/dbraw/zinc/93/89/93/573938993.db2.gz HFHALEBCPKLDGF-UHFFFAOYSA-N 1 0 199.338 2.568 10 0 AFAERO C[C@@H]([NH3+])CC(=O)C[C@H]1CCC[C@@H](C)C1 715074825 573939020 /nfs/dbraw/zinc/93/90/20/573939020.db2.gz FEPYDQDQEXPKNT-MXWKQRLJSA-N 1 0 197.322 2.509 10 0 AFAERO C[NH2+]CCCSc1cccc(C)c1 42409066 573940366 /nfs/dbraw/zinc/94/03/66/573940366.db2.gz RBJSWZBMAGQOEV-UHFFFAOYSA-N 1 0 195.331 2.697 10 0 AFAERO Cc1cccc2occ([C@H](C)[NH3+])c12 257906898 573940435 /nfs/dbraw/zinc/94/04/35/573940435.db2.gz NBVNARYVDYFMHN-QMMMGPOBSA-N 1 0 175.231 2.761 10 0 AFAERO CS/C=C/C(C)(C)CCC[NH3+] 238398723 573939714 /nfs/dbraw/zinc/93/97/14/573939714.db2.gz PILGAEGRLMAXAO-SOFGYWHQSA-N 1 0 173.325 2.628 10 0 AFAERO CC[C@@H](C)SCC[NH2+]C(C)C 42407930 573939778 /nfs/dbraw/zinc/93/97/78/573939778.db2.gz DCRRZERKMOAZGL-SECBINFHSA-N 1 0 175.341 2.516 10 0 AFAERO CC(C)([NH3+])c1ccc2cc[nH]c2c1F 258184366 573939877 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CC(C)(C)C[NH+]1C[C@@H]2CCC[C@H]2C1 147211914 1169236476 /nfs/dbraw/zinc/23/64/76/1169236476.db2.gz JREVKJXTESRDKR-QWRGUYRKSA-N 1 0 181.323 2.764 10 0 AFAERO CCCC[C@@H](C)[NH2+]C[C@H]1C[C@H](OC)C1 714746154 674018382 /nfs/dbraw/zinc/01/83/82/674018382.db2.gz DOHWTBAKNCFVIY-IJLUTSLNSA-N 1 0 199.338 2.580 10 0 AFAERO CC(C)(C)C[NH+]1C[C@H]2CCC[C@@H]2C1 147211742 1169236610 /nfs/dbraw/zinc/23/66/10/1169236610.db2.gz JREVKJXTESRDKR-GHMZBOCLSA-N 1 0 181.323 2.764 10 0 AFAERO CC[NH+](CC)CC[C@@H]1C[C@H]1C1CC1 714905697 674018755 /nfs/dbraw/zinc/01/87/55/674018755.db2.gz CLFYJKYFZYEDMG-NEPJUHHUSA-N 1 0 181.323 2.764 10 0 AFAERO CCCC[C@H](C)[NH2+]C[C@H]1C[C@H](OC)C1 714746157 674018763 /nfs/dbraw/zinc/01/87/63/674018763.db2.gz DOHWTBAKNCFVIY-SRVKXCTJSA-N 1 0 199.338 2.580 10 0 AFAERO C1CC[NH+](CC[C@@H]2C[C@H]2C2CC2)C1 714906056 674018889 /nfs/dbraw/zinc/01/88/89/674018889.db2.gz FWRDEYJROYCHMV-NEPJUHHUSA-N 1 0 179.307 2.518 10 0 AFAERO C[C@@H]([NH2+]CC[C@H]1CCCS1)C1CC1 715731096 674023142 /nfs/dbraw/zinc/02/31/42/674023142.db2.gz JRINZXQWYDOIGS-MWLCHTKSSA-N 1 0 199.363 2.660 10 0 AFAERO CC[C@H](C)C[NH2+][C@H](C)c1ccns1 715928505 674024434 /nfs/dbraw/zinc/02/44/34/674024434.db2.gz VFPGJJPPPSGDCN-DTWKUNHWSA-N 1 0 198.335 2.840 10 0 AFAERO C[C@H]1C[C@H]1[C@H]1C[C@H]1C[NH2+]C[C@H]1C[C@H]1C 716559580 674024828 /nfs/dbraw/zinc/02/48/28/674024828.db2.gz AJWZKXSMHRDMKQ-PDWLFKFUSA-N 1 0 193.334 2.524 10 0 AFAERO C[C@@H]1C[C@@H]1C[NH2+]C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C 716559578 674024831 /nfs/dbraw/zinc/02/48/31/674024831.db2.gz AJWZKXSMHRDMKQ-HKLHZYFVSA-N 1 0 193.334 2.524 10 0 AFAERO CCOC[C@H](C)[NH2+]CCCCC1CC1 716400797 674024835 /nfs/dbraw/zinc/02/48/35/674024835.db2.gz LWYSJZWGVROKEZ-NSHDSACASA-N 1 0 199.338 2.581 10 0 AFAERO c1coc(C[NH2+]CCCCC2CC2)c1 716398257 674024846 /nfs/dbraw/zinc/02/48/46/674024846.db2.gz KRZZICOIFUHQEH-UHFFFAOYSA-N 1 0 193.290 2.950 10 0 AFAERO CC(C)(C)C[N@H+]1C[C@H]2CCC[C@H]2C1 147211576 1169238812 /nfs/dbraw/zinc/23/88/12/1169238812.db2.gz JREVKJXTESRDKR-PHIMTYICSA-N 1 0 181.323 2.764 10 0 AFAERO CCC[C@@H](C)C[NH2+][C@H]1CC12CC2 715319602 674021018 /nfs/dbraw/zinc/02/10/18/674021018.db2.gz HGFBUXXCUKJERY-ZJUUUORDSA-N 1 0 167.296 2.565 10 0 AFAERO CC1(C[NH2+][C@H]2CC23CC3)CCCC1 715255432 674021031 /nfs/dbraw/zinc/02/10/31/674021031.db2.gz JYEGCMOIVYZNFM-JTQLQIEISA-N 1 0 179.307 2.709 10 0 AFAERO CSC(C)(C)CC[NH2+][C@H]1CC12CC2 715241249 674021074 /nfs/dbraw/zinc/02/10/74/674021074.db2.gz WTUCBPHTOVTINE-VIFPVBQESA-N 1 0 199.363 2.660 10 0 AFAERO C1CC2CCC1C[C@@H]2[NH2+][C@@H]1CC12CC2 715235485 674021130 /nfs/dbraw/zinc/02/11/30/674021130.db2.gz CIKKDFKYGJDSOV-MMVSWEMESA-N 1 0 191.318 2.707 10 0 AFAERO CCCC[NH2+]C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C 716466081 674024867 /nfs/dbraw/zinc/02/48/67/674024867.db2.gz HUELFNHMXPMIES-KXNHARMFSA-N 1 0 181.323 2.668 10 0 AFAERO C[C@H](CC(C)(C)C)[NH2+][C@H]1CC12CC2 715240001 674021266 /nfs/dbraw/zinc/02/12/66/674021266.db2.gz ROWUXFVZVUBRNJ-ZJUUUORDSA-N 1 0 181.323 2.953 10 0 AFAERO C[C@H](CC(C)(C)C)[NH2+][C@@H]1CC12CC2 715239995 674021268 /nfs/dbraw/zinc/02/12/68/674021268.db2.gz ROWUXFVZVUBRNJ-NXEZZACHSA-N 1 0 181.323 2.953 10 0 AFAERO C[C@@H](CC(C)(C)C)[NH2+][C@H]1CC12CC2 715239997 674021287 /nfs/dbraw/zinc/02/12/87/674021287.db2.gz ROWUXFVZVUBRNJ-UWVGGRQHSA-N 1 0 181.323 2.953 10 0 AFAERO CCCC(CCC)[N@H+](C)CC 147311581 1169239103 /nfs/dbraw/zinc/23/91/03/1169239103.db2.gz FWYHBBXJNGQPQA-UHFFFAOYSA-N 1 0 157.301 2.907 10 0 AFAERO CC[C@H](C)[NH2+]C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C 716474566 674024883 /nfs/dbraw/zinc/02/48/83/674024883.db2.gz ZONKLRSVOGHZNT-NGDQXYMTSA-N 1 0 181.323 2.667 10 0 AFAERO C[C@@H]1C[C@@H]1C[NH2+]C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C 716559576 674024884 /nfs/dbraw/zinc/02/48/84/674024884.db2.gz AJWZKXSMHRDMKQ-DZDPUUJWSA-N 1 0 193.334 2.524 10 0 AFAERO C[C@@H](CC(C)(C)C)[NH2+][C@@H]1CC12CC2 715239999 674021452 /nfs/dbraw/zinc/02/14/52/674021452.db2.gz ROWUXFVZVUBRNJ-VHSXEESVSA-N 1 0 181.323 2.953 10 0 AFAERO C1CC2CCC1C[C@@H]2[NH2+][C@H]1CC12CC2 715235487 674021462 /nfs/dbraw/zinc/02/14/62/674021462.db2.gz CIKKDFKYGJDSOV-QQFIATSDSA-N 1 0 191.318 2.707 10 0 AFAERO CCOC[C@@H](C)[NH2+]CCCCC1CC1 716400795 674024968 /nfs/dbraw/zinc/02/49/68/674024968.db2.gz LWYSJZWGVROKEZ-LLVKDONJSA-N 1 0 199.338 2.581 10 0 AFAERO CC1(C[NH2+][C@@H]2CC23CC3)CCCC1 715255433 674021531 /nfs/dbraw/zinc/02/15/31/674021531.db2.gz JYEGCMOIVYZNFM-SNVBAGLBSA-N 1 0 179.307 2.709 10 0 AFAERO C1CC2CCC1C[C@H]2[NH2+][C@@H]1CC12CC2 715235482 674021588 /nfs/dbraw/zinc/02/15/88/674021588.db2.gz CIKKDFKYGJDSOV-KIDURHIOSA-N 1 0 191.318 2.707 10 0 AFAERO CCC[C@H](C)C[NH2+][C@@H]1CC12CC2 715319598 674021589 /nfs/dbraw/zinc/02/15/89/674021589.db2.gz HGFBUXXCUKJERY-VHSXEESVSA-N 1 0 167.296 2.565 10 0 AFAERO CCC[C@H](C)C[NH2+][C@H]1CC12CC2 715319594 674021591 /nfs/dbraw/zinc/02/15/91/674021591.db2.gz HGFBUXXCUKJERY-UWVGGRQHSA-N 1 0 167.296 2.565 10 0 AFAERO C1CC2CCC1C[C@H]2[NH2+][C@H]1CC12CC2 715235478 674021600 /nfs/dbraw/zinc/02/16/00/674021600.db2.gz CIKKDFKYGJDSOV-HCWSGVFWSA-N 1 0 191.318 2.707 10 0 AFAERO CCC[C@@H](C)C[NH2+][C@@H]1CC12CC2 715319591 674021613 /nfs/dbraw/zinc/02/16/13/674021613.db2.gz HGFBUXXCUKJERY-NXEZZACHSA-N 1 0 167.296 2.565 10 0 AFAERO CSC(C)(C)CC[NH2+][C@@H]1CC12CC2 715241247 674021614 /nfs/dbraw/zinc/02/16/14/674021614.db2.gz WTUCBPHTOVTINE-SECBINFHSA-N 1 0 199.363 2.660 10 0 AFAERO C[C@@H]([NH2+]CCCCC1CC1)C1CC1 716399435 674024894 /nfs/dbraw/zinc/02/48/94/674024894.db2.gz TYTPSCYAPNZYCL-SNVBAGLBSA-N 1 0 181.323 2.955 10 0 AFAERO C[NH+](CC1CCC1)CC1CCC1 147901058 1169239518 /nfs/dbraw/zinc/23/95/18/1169239518.db2.gz CRCWWNJUWZHQLW-UHFFFAOYSA-N 1 0 167.296 2.518 10 0 AFAERO C[C@@H]1CC[C@@H]1[NH2+]CCCCC1CC1 716398879 674024915 /nfs/dbraw/zinc/02/49/15/674024915.db2.gz QDRBPTSHWDVIJV-PWSUYJOCSA-N 1 0 181.323 2.955 10 0 AFAERO CC1(C[NH2+]CC[C@H]2CCCS2)CC1 715641913 674022031 /nfs/dbraw/zinc/02/20/31/674022031.db2.gz HAYNPXQLXKQKJU-SNVBAGLBSA-N 1 0 199.363 2.662 10 0 AFAERO C(CCC1CC1)C[NH2+][C@H]1CCSC1 716398281 674024929 /nfs/dbraw/zinc/02/49/29/674024929.db2.gz LNCZNEYARIJRCI-NSHDSACASA-N 1 0 199.363 2.662 10 0 AFAERO CO[C@@H](C)[C@H](C)[NH2+]CCCCC1CC1 716402680 674024931 /nfs/dbraw/zinc/02/49/31/674024931.db2.gz ZANIWRBRVJIOMW-QWRGUYRKSA-N 1 0 199.338 2.580 10 0 AFAERO CO[C@@H](C)[C@@H](C)[NH2+]CCCCC1CC1 716402679 674024938 /nfs/dbraw/zinc/02/49/38/674024938.db2.gz ZANIWRBRVJIOMW-MNOVXSKESA-N 1 0 199.338 2.580 10 0 AFAERO CC[C@H]1CCC[N@H+]1[C@H](C)CC 147645572 1169240096 /nfs/dbraw/zinc/24/00/96/1169240096.db2.gz GPWOAANLUDJVPB-ZJUUUORDSA-N 1 0 155.285 2.659 10 0 AFAERO CCCC[NH2+]C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C 716466083 674024953 /nfs/dbraw/zinc/02/49/53/674024953.db2.gz HUELFNHMXPMIES-RHYQMDGZSA-N 1 0 181.323 2.668 10 0 AFAERO C[C@@H]1C[C@H]1C[NH2+]CC[C@@H]1CCCS1 715689753 674022437 /nfs/dbraw/zinc/02/24/37/674022437.db2.gz PYNXIEWWMLZGIL-VWYCJHECSA-N 1 0 199.363 2.518 10 0 AFAERO c1cc(C[NH2+]CCCCC2CC2)c[nH]1 716400585 674024958 /nfs/dbraw/zinc/02/49/58/674024958.db2.gz ZMIYKVOKATUDFW-UHFFFAOYSA-N 1 0 192.306 2.685 10 0 AFAERO CC(C)CCCC[NH2+][C@@H]1CC12CC2 715323344 674022448 /nfs/dbraw/zinc/02/24/48/674022448.db2.gz YWLJUQBPVPYUSI-LLVKDONJSA-N 1 0 181.323 2.955 10 0 AFAERO C[C@@H]1C[C@@H]1C[NH2+]CC[C@H]1CCCS1 715689748 674022467 /nfs/dbraw/zinc/02/24/67/674022467.db2.gz PYNXIEWWMLZGIL-GMTAPVOTSA-N 1 0 199.363 2.518 10 0 AFAERO CC1(C[NH2+]CC[C@@H]2CCCS2)CC1 715641911 674022475 /nfs/dbraw/zinc/02/24/75/674022475.db2.gz HAYNPXQLXKQKJU-JTQLQIEISA-N 1 0 199.363 2.662 10 0 AFAERO C[C@@H]1C[C@@H]1C[NH2+]CC[C@@H]1CCCS1 715689750 674022499 /nfs/dbraw/zinc/02/24/99/674022499.db2.gz PYNXIEWWMLZGIL-MXWKQRLJSA-N 1 0 199.363 2.518 10 0 AFAERO C[C@@H]1C[C@H]1C[NH2+]CC[C@H]1CCCS1 715689752 674022500 /nfs/dbraw/zinc/02/25/00/674022500.db2.gz PYNXIEWWMLZGIL-OUAUKWLOSA-N 1 0 199.363 2.518 10 0 AFAERO CC(C)CCCC[NH2+][C@H]1CC12CC2 715323346 674022508 /nfs/dbraw/zinc/02/25/08/674022508.db2.gz YWLJUQBPVPYUSI-NSHDSACASA-N 1 0 181.323 2.955 10 0 AFAERO COCC[C@@H](C)[NH2+]CCCCC1CC1 716399547 674024978 /nfs/dbraw/zinc/02/49/78/674024978.db2.gz DVAJNUIEELYQMG-LLVKDONJSA-N 1 0 199.338 2.581 10 0 AFAERO CCCC[NH2+]C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C 716466080 674024984 /nfs/dbraw/zinc/02/49/84/674024984.db2.gz HUELFNHMXPMIES-BJDJZHNGSA-N 1 0 181.323 2.668 10 0 AFAERO C[C@H]([NH2+][C@H]1CC[C@@H]1C)c1ccns1 715901200 674022843 /nfs/dbraw/zinc/02/28/43/674022843.db2.gz WCJUIDJDGYIFRX-CIUDSAMLSA-N 1 0 196.319 2.592 10 0 AFAERO C(CCC1CC1)C[NH2+][C@@H]1CCSC1 716398280 674025006 /nfs/dbraw/zinc/02/50/06/674025006.db2.gz LNCZNEYARIJRCI-LLVKDONJSA-N 1 0 199.363 2.662 10 0 AFAERO C[C@@H]1CC[C@@H]1[NH2+]CC[C@H]1CCCS1 715730262 674022858 /nfs/dbraw/zinc/02/28/58/674022858.db2.gz HSHHNMVTSCBNHR-MXWKQRLJSA-N 1 0 199.363 2.660 10 0 AFAERO C[C@H]([NH2+][C@H]1CC[C@H]1C)c1ccns1 715901209 674022882 /nfs/dbraw/zinc/02/28/82/674022882.db2.gz WCJUIDJDGYIFRX-VGMNWLOBSA-N 1 0 196.319 2.592 10 0 AFAERO CC[C@H](C)[NH2+]CC[C@@H]1CCCS1 715868905 674022895 /nfs/dbraw/zinc/02/28/95/674022895.db2.gz VQCVWSDCCGXUHI-UWVGGRQHSA-N 1 0 187.352 2.660 10 0 AFAERO C[C@H]([NH2+][C@@H](C)C1CC1)c1ccns1 715900434 674022928 /nfs/dbraw/zinc/02/29/28/674022928.db2.gz SDQSFTVXRNOZDQ-YUMQZZPRSA-N 1 0 196.319 2.592 10 0 AFAERO CC[C@H](C)[NH2+][C@H](C)c1ccns1 715897847 674022931 /nfs/dbraw/zinc/02/29/31/674022931.db2.gz FZOOPPQXCQOARP-JGVFFNPUSA-N 1 0 184.308 2.592 10 0 AFAERO CC(C)C[NH2+]CC[C@H]1CCCS1 715870049 674022935 /nfs/dbraw/zinc/02/29/35/674022935.db2.gz ZTUBAGMUKVETBW-SNVBAGLBSA-N 1 0 187.352 2.518 10 0 AFAERO C[C@@H]([NH2+]C1CCCC1)c1ccns1 715898608 674022938 /nfs/dbraw/zinc/02/29/38/674022938.db2.gz IAROESDTYHCLKZ-MRVPVSSYSA-N 1 0 196.319 2.736 10 0 AFAERO C[C@@H]1CC[C@H]1[NH2+]CC[C@@H]1CCCS1 715730264 674022942 /nfs/dbraw/zinc/02/29/42/674022942.db2.gz HSHHNMVTSCBNHR-OUAUKWLOSA-N 1 0 199.363 2.660 10 0 AFAERO CC[C@@H](C)[NH2+]CC[C@H]1CCCS1 715868902 674022970 /nfs/dbraw/zinc/02/29/70/674022970.db2.gz VQCVWSDCCGXUHI-NXEZZACHSA-N 1 0 187.352 2.660 10 0 AFAERO C[C@H]([NH2+][C@H](C)c1ccns1)C1CC1 715900431 674022990 /nfs/dbraw/zinc/02/29/90/674022990.db2.gz SDQSFTVXRNOZDQ-JGVFFNPUSA-N 1 0 196.319 2.592 10 0 AFAERO C[C@H]([NH2+]CC[C@H]1CCCS1)C1CC1 715731092 674022992 /nfs/dbraw/zinc/02/29/92/674022992.db2.gz JRINZXQWYDOIGS-GXSJLCMTSA-N 1 0 199.363 2.660 10 0 AFAERO CC[C@@H](C)[NH2+]CC[C@@H]1CCCS1 715868910 674023002 /nfs/dbraw/zinc/02/30/02/674023002.db2.gz VQCVWSDCCGXUHI-ZJUUUORDSA-N 1 0 187.352 2.660 10 0 AFAERO C[C@H]([NH2+]C1CCCC1)c1ccns1 715898610 674023003 /nfs/dbraw/zinc/02/30/03/674023003.db2.gz IAROESDTYHCLKZ-QMMMGPOBSA-N 1 0 196.319 2.736 10 0 AFAERO C1CCC([NH2+]CC[C@@H]2CCCS2)C1 715865072 674023024 /nfs/dbraw/zinc/02/30/24/674023024.db2.gz CLNNNLGENGAEQK-NSHDSACASA-N 1 0 199.363 2.804 10 0 AFAERO C[C@H]([NH2+]CC1CCC1)c1ccns1 715898950 674023035 /nfs/dbraw/zinc/02/30/35/674023035.db2.gz JPDPFUCIKLQELY-QMMMGPOBSA-N 1 0 196.319 2.594 10 0 AFAERO CCCC[NH2+]CC[C@H]1CCCS1 715866378 674023054 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C[C@@H](CC1CC1)[N@@H+]1CCC(C)(C)C1 306966168 1169495810 /nfs/dbraw/zinc/49/58/10/1169495810.db2.gz OBKOSUXXDKHGQU-JTQLQIEISA-N 1 0 181.323 2.907 10 0 AFAERO CC[C@H]1CC[C@@H]([N@H+](C)C2CC2)C1 306968595 1169496238 /nfs/dbraw/zinc/49/62/38/1169496238.db2.gz OMNZWOXUSWNYER-GXSJLCMTSA-N 1 0 167.296 2.659 10 0 AFAERO CC[C@H]1CC[C@H]([N@H+](C)C2CC2)C1 306968599 1169496575 /nfs/dbraw/zinc/49/65/75/1169496575.db2.gz OMNZWOXUSWNYER-ONGXEEELSA-N 1 0 167.296 2.659 10 0 AFAERO C[C@H]1CC[N@@H+]([C@H](C)CC(F)(F)F)C1 306956883 1169496756 /nfs/dbraw/zinc/49/67/56/1169496756.db2.gz SGLFLBKDTXLTLS-JGVFFNPUSA-N 1 0 195.228 2.669 10 0 AFAERO C[N@H+](CC1CCC1)[C@H]1CCCSC1 307020725 1169497999 /nfs/dbraw/zinc/49/79/99/1169497999.db2.gz ZPKLMHFVCMTWTI-NSHDSACASA-N 1 0 199.363 2.614 10 0 AFAERO C[N@H+](CC1CCC1)[C@@H]1CCCSC1 307020724 1169498053 /nfs/dbraw/zinc/49/80/53/1169498053.db2.gz ZPKLMHFVCMTWTI-LLVKDONJSA-N 1 0 199.363 2.614 10 0 AFAERO c1cc(CC[NH+]2CCCCC2)cs1 307017746 1169498113 /nfs/dbraw/zinc/49/81/13/1169498113.db2.gz QGALSMWDSXFNAC-UHFFFAOYSA-N 1 0 195.331 2.777 10 0 AFAERO CC(C)(C)C[N@@H+]1CCC2(CCC2)C1 307099187 1169500792 /nfs/dbraw/zinc/50/07/92/1169500792.db2.gz FRQZUARVFRFQTO-UHFFFAOYSA-N 1 0 181.323 2.909 10 0 AFAERO C[C@@H]1CCC[C@H]([N@@H+]2CC[C@@H](C)C2)C1 307097604 1169501972 /nfs/dbraw/zinc/50/19/72/1169501972.db2.gz DKJWTDBXDTUJER-UTUOFQBUSA-N 1 0 181.323 2.907 10 0 AFAERO C[C@@H]1CCC[C@@H]([N@@H+]2CC[C@@H](C)C2)C1 307097601 1169502063 /nfs/dbraw/zinc/50/20/63/1169502063.db2.gz DKJWTDBXDTUJER-IJLUTSLNSA-N 1 0 181.323 2.907 10 0 AFAERO C[C@H]1CC[N@@H+]([C@@H]2CCC[C@@H](C)C2)C1 307097598 1169502415 /nfs/dbraw/zinc/50/24/15/1169502415.db2.gz DKJWTDBXDTUJER-GRYCIOLGSA-N 1 0 181.323 2.907 10 0 AFAERO C[C@H]1CC[N@@H+]([C@H]2CCC[C@@H](C)C2)C1 307097607 1169502658 /nfs/dbraw/zinc/50/26/58/1169502658.db2.gz DKJWTDBXDTUJER-WOPDTQHZSA-N 1 0 181.323 2.907 10 0 AFAERO CC[C@@H](C)[NH2+][C@@H]1CCCCC1(F)F 307240252 1169509756 /nfs/dbraw/zinc/50/97/56/1169509756.db2.gz GVCOSZBKKPLIIM-RKDXNWHRSA-N 1 0 191.265 2.952 10 0 AFAERO CC(C)c1ccccc1C1=CC[NH2+]C1 307164024 1169505056 /nfs/dbraw/zinc/50/50/56/1169505056.db2.gz GFLHFVYOKBZDJI-UHFFFAOYSA-N 1 0 187.286 2.797 10 0 AFAERO CC[C@@H](C)C[N@@H+]1CCCC[C@H](F)C1 307205517 1169506018 /nfs/dbraw/zinc/50/60/18/1169506018.db2.gz JSHUJAVSJOGXLB-MNOVXSKESA-N 1 0 187.302 2.857 10 0 AFAERO CC[C@H](C)C[N@@H+]1CCCC[C@@H](F)C1 307205520 1169506516 /nfs/dbraw/zinc/50/65/16/1169506516.db2.gz JSHUJAVSJOGXLB-WDEREUQCSA-N 1 0 187.302 2.857 10 0 AFAERO C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H]2CF)C1 307207870 1169506929 /nfs/dbraw/zinc/50/69/29/1169506929.db2.gz NJMXMZYNOFSBQO-OUAUKWLOSA-N 1 0 185.286 2.609 10 0 AFAERO C[C@H]1CCCC[N@@H+]1[C@@H]1CCCSC1 307203684 1169506972 /nfs/dbraw/zinc/50/69/72/1169506972.db2.gz HDPVGJXJPPDVGF-WDEREUQCSA-N 1 0 199.363 2.756 10 0 AFAERO C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H]2CF)C1 307207868 1169507134 /nfs/dbraw/zinc/50/71/34/1169507134.db2.gz NJMXMZYNOFSBQO-GMTAPVOTSA-N 1 0 185.286 2.609 10 0 AFAERO C[C@@H]1CCCC[N@@H+]1[C@@H]1CCCSC1 307203680 1169507296 /nfs/dbraw/zinc/50/72/96/1169507296.db2.gz HDPVGJXJPPDVGF-GHMZBOCLSA-N 1 0 199.363 2.756 10 0 AFAERO CC1CC[NH+]([C@@H]2CCCSC2)CC1 307199517 1169507508 /nfs/dbraw/zinc/50/75/08/1169507508.db2.gz ZXHZDPHLDHEANJ-LLVKDONJSA-N 1 0 199.363 2.614 10 0 AFAERO C[C@H]1CCCC[N@@H+]1[C@H]1CCCSC1 307203682 1169508188 /nfs/dbraw/zinc/50/81/88/1169508188.db2.gz HDPVGJXJPPDVGF-QWRGUYRKSA-N 1 0 199.363 2.756 10 0 AFAERO CC1CC[NH+]([C@H]2CCCSC2)CC1 307199519 1169508431 /nfs/dbraw/zinc/50/84/31/1169508431.db2.gz ZXHZDPHLDHEANJ-NSHDSACASA-N 1 0 199.363 2.614 10 0 AFAERO C[C@@H]1CCCC[N@@H+]1[C@H]1CCCSC1 307203681 1169508552 /nfs/dbraw/zinc/50/85/52/1169508552.db2.gz HDPVGJXJPPDVGF-MNOVXSKESA-N 1 0 199.363 2.756 10 0 AFAERO CC[C@H]1CCC[N@@H+]1C1CCSCC1 307206643 1169508811 /nfs/dbraw/zinc/50/88/11/1169508811.db2.gz LLNPIXHIYPCLAO-JTQLQIEISA-N 1 0 199.363 2.756 10 0 AFAERO CC[C@@H](C)C[N@@H+]1CCCC[C@@H](F)C1 307205516 1169508860 /nfs/dbraw/zinc/50/88/60/1169508860.db2.gz JSHUJAVSJOGXLB-GHMZBOCLSA-N 1 0 187.302 2.857 10 0 AFAERO CC[C@H](C)C[N@@H+]1CCCC[C@H](F)C1 307205519 1169509023 /nfs/dbraw/zinc/50/90/23/1169509023.db2.gz JSHUJAVSJOGXLB-QWRGUYRKSA-N 1 0 187.302 2.857 10 0 AFAERO F[C@@H]1CCCC[C@H]1Nc1cc[nH+]cc1 307212141 1169509044 /nfs/dbraw/zinc/50/90/44/1169509044.db2.gz UZNYWUJNBLZDDI-GHMZBOCLSA-N 1 0 194.253 2.774 10 0 AFAERO C1CCC(CC[NH+]2CCC2)CC1 307210875 1169509226 /nfs/dbraw/zinc/50/92/26/1169509226.db2.gz RTWYUMUTHLUCGA-UHFFFAOYSA-N 1 0 167.296 2.663 10 0 AFAERO CC[C@@H]1CCC[N@@H+]1C1CCSCC1 307206644 1169509274 /nfs/dbraw/zinc/50/92/74/1169509274.db2.gz LLNPIXHIYPCLAO-SNVBAGLBSA-N 1 0 199.363 2.756 10 0 AFAERO CC[C@H](C)[N@@H+]1CCC[C@H](C)[C@@H]1C 307231358 1169509866 /nfs/dbraw/zinc/50/98/66/1169509866.db2.gz AZPYKQJASQSCLK-DCAQKATOSA-N 1 0 169.312 2.905 10 0 AFAERO [NH3+]Cc1cccc(C2=CCCC2)c1F 307240845 1169509899 /nfs/dbraw/zinc/50/98/99/1169509899.db2.gz QRELXTHQLRORQO-UHFFFAOYSA-N 1 0 191.249 2.852 10 0 AFAERO CC[C@H](C)[N@@H+]1CCC[C@@H](C)[C@H]1C 307231360 1169509906 /nfs/dbraw/zinc/50/99/06/1169509906.db2.gz AZPYKQJASQSCLK-OUAUKWLOSA-N 1 0 169.312 2.905 10 0 AFAERO C[NH2+]Cc1cccc(C(C)C)c1F 307247930 1169510188 /nfs/dbraw/zinc/51/01/88/1169510188.db2.gz HLFCPUPHSZUXKL-UHFFFAOYSA-N 1 0 181.254 2.669 10 0 AFAERO C[N@H+](C1CC1)[C@@H]1CCC(C)(C)C1 307229401 1169511462 /nfs/dbraw/zinc/51/14/62/1169511462.db2.gz ZQBAWYJGULAZMN-SNVBAGLBSA-N 1 0 167.296 2.659 10 0 AFAERO CC[C@@H](C)[NH2+][C@H]1CCCCC1(F)F 307240249 1169511475 /nfs/dbraw/zinc/51/14/75/1169511475.db2.gz GVCOSZBKKPLIIM-BDAKNGLRSA-N 1 0 191.265 2.952 10 0 AFAERO CC[C@H](C)[N@@H+]1CCC[C@@H](C)[C@@H]1C 307231361 1169511538 /nfs/dbraw/zinc/51/15/38/1169511538.db2.gz AZPYKQJASQSCLK-VWYCJHECSA-N 1 0 169.312 2.905 10 0 AFAERO C[N@H+](C1CC1)[C@H]1CCC(C)(C)C1 307229400 1169511779 /nfs/dbraw/zinc/51/17/79/1169511779.db2.gz ZQBAWYJGULAZMN-JTQLQIEISA-N 1 0 167.296 2.659 10 0 AFAERO CC[C@H](C)[NH2+][C@H]1CCCCC1(F)F 307240251 1169512048 /nfs/dbraw/zinc/51/20/48/1169512048.db2.gz GVCOSZBKKPLIIM-IUCAKERBSA-N 1 0 191.265 2.952 10 0 AFAERO CC[C@H](C)[NH2+][C@@H]1CCCCC1(F)F 307240250 1169512073 /nfs/dbraw/zinc/51/20/73/1169512073.db2.gz GVCOSZBKKPLIIM-DTWKUNHWSA-N 1 0 191.265 2.952 10 0 AFAERO CC[C@H](C)[N@@H+]1CCC[C@H](C)[C@H]1C 307231359 1169512175 /nfs/dbraw/zinc/51/21/75/1169512175.db2.gz AZPYKQJASQSCLK-GARJFASQSA-N 1 0 169.312 2.905 10 0 AFAERO CC[C@H](Nc1cc[nH+]cc1)C1CC1 307395885 1169519035 /nfs/dbraw/zinc/51/90/35/1169519035.db2.gz AIJYIGMYCMINHA-NSHDSACASA-N 1 0 176.263 2.682 10 0 AFAERO CC1(C)CC[N@@H+]([C@@H]2CCCSC2)C1 307293300 1169513336 /nfs/dbraw/zinc/51/33/36/1169513336.db2.gz CBYFAENDNKSIHK-SNVBAGLBSA-N 1 0 199.363 2.614 10 0 AFAERO CC1(C)CC[N@@H+]([C@H]2CCCSC2)C1 307293299 1169513638 /nfs/dbraw/zinc/51/36/38/1169513638.db2.gz CBYFAENDNKSIHK-JTQLQIEISA-N 1 0 199.363 2.614 10 0 AFAERO CC[C@@H]1CC[N@@H+](C2CCSCC2)C1 307332521 1169514489 /nfs/dbraw/zinc/51/44/89/1169514489.db2.gz ACGHUNKTPJWXSS-SNVBAGLBSA-N 1 0 199.363 2.614 10 0 AFAERO C1CCC[NH+]([C@@H]2CCCSC2)CC1 307327118 1169514549 /nfs/dbraw/zinc/51/45/49/1169514549.db2.gz ODQIOWFLGPBNLH-LLVKDONJSA-N 1 0 199.363 2.758 10 0 AFAERO C[C@@H]1CC[N@@H+]([C@H]2CCC(C)(C)C2)C1 307320859 1169514557 /nfs/dbraw/zinc/51/45/57/1169514557.db2.gz PKMUWLKQTNWYAP-MNOVXSKESA-N 1 0 181.323 2.907 10 0 AFAERO C[C@H]1CC[N@@H+]([C@H]2CCC(C)(C)C2)C1 307320860 1169514680 /nfs/dbraw/zinc/51/46/80/1169514680.db2.gz PKMUWLKQTNWYAP-QWRGUYRKSA-N 1 0 181.323 2.907 10 0 AFAERO CC1C[NH+]([C@@H]2CCC(C)(C)C2)C1 307322733 1169514691 /nfs/dbraw/zinc/51/46/91/1169514691.db2.gz ZYJBUYJEBPERJL-SNVBAGLBSA-N 1 0 167.296 2.517 10 0 AFAERO C1CCC[NH+]([C@H]2CCCSC2)CC1 307327120 1169514728 /nfs/dbraw/zinc/51/47/28/1169514728.db2.gz ODQIOWFLGPBNLH-NSHDSACASA-N 1 0 199.363 2.758 10 0 AFAERO C[Si](C)(C)C[N@@H+]1C[C@H]2CCCC[C@H]21 307320942 1169515164 /nfs/dbraw/zinc/51/51/64/1169515164.db2.gz VYZVJCHFKYGOIS-GHMZBOCLSA-N 1 0 197.398 2.738 10 0 AFAERO C[C@H]1CC[N@@H+]([C@@H]2CCC(C)(C)C2)C1 307320861 1169514976 /nfs/dbraw/zinc/51/49/76/1169514976.db2.gz PKMUWLKQTNWYAP-WDEREUQCSA-N 1 0 181.323 2.907 10 0 AFAERO CN(CC(C)(C)C)c1cc[nH+]cc1 307326107 1169514992 /nfs/dbraw/zinc/51/49/92/1169514992.db2.gz TWVKRFKOWSCXAR-UHFFFAOYSA-N 1 0 178.279 2.564 10 0 AFAERO CC1C[NH+]([C@H]2CCC(C)(C)C2)C1 307322732 1169515195 /nfs/dbraw/zinc/51/51/95/1169515195.db2.gz ZYJBUYJEBPERJL-JTQLQIEISA-N 1 0 167.296 2.517 10 0 AFAERO C[C@@H]1CC[N@@H+]([C@@H]2CCC(C)(C)C2)C1 307320858 1169515231 /nfs/dbraw/zinc/51/52/31/1169515231.db2.gz PKMUWLKQTNWYAP-GHMZBOCLSA-N 1 0 181.323 2.907 10 0 AFAERO Cc1ccc(C)c(C2=CCC[NH2+]C2)c1 307413523 1169519317 /nfs/dbraw/zinc/51/93/17/1169519317.db2.gz HGQIJHOFPDFXEV-UHFFFAOYSA-N 1 0 187.286 2.680 10 0 AFAERO CC[C@@H](Nc1cc[nH+]cc1)C1CC1 307395883 1169519666 /nfs/dbraw/zinc/51/96/66/1169519666.db2.gz AIJYIGMYCMINHA-LLVKDONJSA-N 1 0 176.263 2.682 10 0 AFAERO C1CCCC([NH+]2CCC2)CCC1 307411578 1169520123 /nfs/dbraw/zinc/52/01/23/1169520123.db2.gz HJKGMOZWGDLVLI-UHFFFAOYSA-N 1 0 167.296 2.805 10 0 AFAERO CC[N@H+](C(C)C)C1CCSCC1 307442503 1169521648 /nfs/dbraw/zinc/52/16/48/1169521648.db2.gz NRXCNNVRJONGBX-UHFFFAOYSA-N 1 0 187.352 2.612 10 0 AFAERO CC[C@@H](C)[N@H+](C)[C@@H]1CCCSC1 307441739 1169521692 /nfs/dbraw/zinc/52/16/92/1169521692.db2.gz ATXRCBFCUMBOAG-NXEZZACHSA-N 1 0 187.352 2.612 10 0 AFAERO CC[C@@H](C)[N@H+](C)[C@H]1CCCSC1 307441746 1169522110 /nfs/dbraw/zinc/52/21/10/1169522110.db2.gz ATXRCBFCUMBOAG-ZJUUUORDSA-N 1 0 187.352 2.612 10 0 AFAERO CC[C@H](C)[N@H+](C)[C@@H]1CCCSC1 307441744 1169522295 /nfs/dbraw/zinc/52/22/95/1169522295.db2.gz ATXRCBFCUMBOAG-VHSXEESVSA-N 1 0 187.352 2.612 10 0 AFAERO CC[C@H](C)[N@H+](C)[C@H]1CCCSC1 307441741 1169522492 /nfs/dbraw/zinc/52/24/92/1169522492.db2.gz ATXRCBFCUMBOAG-UWVGGRQHSA-N 1 0 187.352 2.612 10 0 AFAERO c1cc(N[C@H]2CCC[C@H]3C[C@H]32)cc[nH+]1 307471398 1169523384 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/nfs/dbraw/zinc/92/78/61/571927861.db2.gz TWNBLBUSLQLMBZ-UPHRSURJSA-N 1 0 191.205 2.544 10 0 AFAERO CC(C)(C)CCCO[C@@H]1CC[C@H]([NH3+])C1 300791379 571927882 /nfs/dbraw/zinc/92/78/82/571927882.db2.gz CLKQJAQFDFCSFN-WDEREUQCSA-N 1 0 199.338 2.709 10 0 AFAERO [NH3+]C/C=C\c1cc(F)cc2ccoc12 687681068 571927918 /nfs/dbraw/zinc/92/79/18/571927918.db2.gz NOUBCTQOMUINLD-UPHRSURJSA-N 1 0 191.205 2.544 10 0 AFAERO [NH3+]C/C=C\c1ccc2occc2c1F 687681069 571927957 /nfs/dbraw/zinc/92/79/57/571927957.db2.gz OBBWCGDLEIBUSW-UPHRSURJSA-N 1 0 191.205 2.544 10 0 AFAERO CCC[C@H](C)[C@@H]([NH3+])[C@H](C)CSC 300791583 571928037 /nfs/dbraw/zinc/92/80/37/571928037.db2.gz YGIMZSRVWNJKFJ-IVZWLZJFSA-N 1 0 189.368 2.749 10 0 AFAERO CC(C)C[NH2+]C[C@H]1[C@@H](C)C1(C)C 300794576 571928049 /nfs/dbraw/zinc/92/80/49/571928049.db2.gz ZKHNOXAFMMQWJM-ZJUUUORDSA-N 1 0 169.312 2.524 10 0 AFAERO CC[C@@H](C)[C@H]([NH3+])c1ccnn1C(C)C 300792425 571928053 /nfs/dbraw/zinc/92/80/53/571928053.db2.gz UVCFPQKWGKGOCI-KOLCDFICSA-N 1 0 195.310 2.510 10 0 AFAERO Cc1cc(/C=C\C[NH3+])cc(F)c1CF 687681985 571928437 /nfs/dbraw/zinc/92/84/37/571928437.db2.gz PFXFSBFBJDQKTH-IHWYPQMZSA-N 1 0 197.228 2.576 10 0 AFAERO CCc1cccc(CC)c1/C=C\C[NH3+] 687680944 571928201 /nfs/dbraw/zinc/92/82/01/571928201.db2.gz SCQAGTQEGUSBSP-TWGQIWQCSA-N 1 0 189.302 2.783 10 0 AFAERO CCC(CC)[C@H]1[C@@H](C[NH3+])C1(C)C 300793021 571928222 /nfs/dbraw/zinc/92/82/22/571928222.db2.gz YTYCCPVLIVISPZ-ZJUUUORDSA-N 1 0 169.312 2.654 10 0 AFAERO CC(C)(C)CCC[C@H]1CC[C@H]1[NH3+] 300793907 571928252 /nfs/dbraw/zinc/92/82/52/571928252.db2.gz ZGIFXZRCUBLYRB-VHSXEESVSA-N 1 0 169.312 2.940 10 0 AFAERO CC(C)C[NH2+]C[C@H]1[C@H](C)C1(C)C 300794572 571928286 /nfs/dbraw/zinc/92/82/86/571928286.db2.gz ZKHNOXAFMMQWJM-UWVGGRQHSA-N 1 0 169.312 2.524 10 0 AFAERO CCn1ccc(C[NH2+]C(C)(C)C)c1C 300791908 571928378 /nfs/dbraw/zinc/92/83/78/571928378.db2.gz USSCPPGDIUWHER-UHFFFAOYSA-N 1 0 194.322 2.705 10 0 AFAERO CCc1ccccc1NC(=[NH2+])SC 39472289 571928393 /nfs/dbraw/zinc/92/83/93/571928393.db2.gz JOGWYNQCMXZJJF-UHFFFAOYSA-N 1 0 194.303 2.959 10 0 AFAERO CC(C)(C)CCC[C@@H]1CC[C@H]1[NH3+] 300793903 571928496 /nfs/dbraw/zinc/92/84/96/571928496.db2.gz ZGIFXZRCUBLYRB-NXEZZACHSA-N 1 0 169.312 2.940 10 0 AFAERO CC[C@@H](C)[C@@H]([NH3+])c1ccnn1C(C)C 300792428 571928516 /nfs/dbraw/zinc/92/85/16/571928516.db2.gz UVCFPQKWGKGOCI-MWLCHTKSSA-N 1 0 195.310 2.510 10 0 AFAERO C[C@@H]([NH3+])/C=C\C1(C)CCCCC1 394784174 571928554 /nfs/dbraw/zinc/92/85/54/571928554.db2.gz NNVITJLNMCSYBG-ABRRARGCSA-N 1 0 167.296 2.860 10 0 AFAERO CC(C)(C)CCC[NH2+]C1CCC1 300792986 571928619 /nfs/dbraw/zinc/92/86/19/571928619.db2.gz YTDXQARPPFGAAB-UHFFFAOYSA-N 1 0 169.312 2.955 10 0 AFAERO COCC[C@@](C)([NH3+])CCC1CCCC1 300793126 571928633 /nfs/dbraw/zinc/92/86/33/571928633.db2.gz UETMJPVLDXRXHZ-LBPRGKRZSA-N 1 0 199.338 2.711 10 0 AFAERO Cc1ccc([C@@H](C)F)cc1/C=C\C[NH3+] 687681549 571928688 /nfs/dbraw/zinc/92/86/88/571928688.db2.gz CBIGOICZFXOUCO-UMBAGQNISA-N 1 0 193.265 2.997 10 0 AFAERO CCC(CC)[C@H]1[C@H](C[NH3+])C1(C)C 300793017 571928706 /nfs/dbraw/zinc/92/87/06/571928706.db2.gz YTYCCPVLIVISPZ-UWVGGRQHSA-N 1 0 169.312 2.654 10 0 AFAERO CC(C)[C@H]1CC[C@H](C)C/C1=C\C[NH3+] 69049846 571928859 /nfs/dbraw/zinc/92/88/59/571928859.db2.gz RSYCNTPQLGSILW-PLOHQCJQSA-N 1 0 181.323 2.964 10 0 AFAERO CC(C)[C@@H]([NH3+])C(=O)CCC1CCCC1 300796576 571928862 /nfs/dbraw/zinc/92/88/62/571928862.db2.gz UTYJSUIYZGNJOV-GFCCVEGCSA-N 1 0 197.322 2.509 10 0 AFAERO Cc1cc(/C=C\C[NH3+])cc(Cl)c1C 687681841 571928895 /nfs/dbraw/zinc/92/88/95/571928895.db2.gz GYVWFRDYQQRYME-ARJAWSKDSA-N 1 0 195.693 2.929 10 0 AFAERO COCC[C@](C)([NH3+])CCC1CCCC1 300793125 571928972 /nfs/dbraw/zinc/92/89/72/571928972.db2.gz UETMJPVLDXRXHZ-GFCCVEGCSA-N 1 0 199.338 2.711 10 0 AFAERO Cc1cc(Cl)cc(/C=C\C[NH3+])c1C 687681840 571928997 /nfs/dbraw/zinc/92/89/97/571928997.db2.gz ZLLIZMCRMBACDP-ARJAWSKDSA-N 1 0 195.693 2.929 10 0 AFAERO CC(C)([NH3+])[C@@](C)(F)c1ccccc1 39438487 571929042 /nfs/dbraw/zinc/92/90/42/571929042.db2.gz MBKOEWZCQKIKCO-NSHDSACASA-N 1 0 181.254 2.609 10 0 AFAERO CCC(CC)[C@@H]1[C@H](C[NH3+])C1(C)C 300793019 571929053 /nfs/dbraw/zinc/92/90/53/571929053.db2.gz YTYCCPVLIVISPZ-VHSXEESVSA-N 1 0 169.312 2.654 10 0 AFAERO C[C@H](OC[C@H]1CCC[C@@H](C)C1)[C@@H](C)[NH3+] 300794366 571929076 /nfs/dbraw/zinc/92/90/76/571929076.db2.gz VFIMSHSSEQJREF-WYUUTHIRSA-N 1 0 199.338 2.565 10 0 AFAERO CC(C)(F)c1ccccc1/C=C\C[NH3+] 687681552 571929103 /nfs/dbraw/zinc/92/91/03/571929103.db2.gz HZBKKPSHOZNJFB-ALCCZGGFSA-N 1 0 193.265 2.863 10 0 AFAERO CC1(C)C[C@@]2(CCC[NH2+]C2)CCS1 39473483 571929216 /nfs/dbraw/zinc/92/92/16/571929216.db2.gz CYULBKSOQPEIJY-LLVKDONJSA-N 1 0 199.363 2.662 10 0 AFAERO C[NH2+]C/C=C/Cc1ccccc1Cl 687681858 571929328 /nfs/dbraw/zinc/92/93/28/571929328.db2.gz HXYPCYORSORBCA-SNAWJCMRSA-N 1 0 195.693 2.658 10 0 AFAERO C=C/C=C(/C=C)C[C@H](F)[C@@H]1CCC[NH2+]1 687681877 571929398 /nfs/dbraw/zinc/92/93/98/571929398.db2.gz XUUQGXRLQGTWEE-AUSWNFFYSA-N 1 0 195.281 2.765 10 0 AFAERO CCC[C@H](C)[C@H]([NH3+])[C@@H](C)CSC 300791581 571929442 /nfs/dbraw/zinc/92/94/42/571929442.db2.gz YGIMZSRVWNJKFJ-GUBZILKMSA-N 1 0 189.368 2.749 10 0 AFAERO C[C@@H](F)c1c(F)cccc1/C=C\C[NH3+] 687681981 571930425 /nfs/dbraw/zinc/93/04/25/571930425.db2.gz FZIVIVOPRDSCRV-QIUOEGRZSA-N 1 0 197.228 2.828 10 0 AFAERO CC(C)([NH3+])[C@](C)(F)c1ccccc1 39438485 571929521 /nfs/dbraw/zinc/92/95/21/571929521.db2.gz MBKOEWZCQKIKCO-LLVKDONJSA-N 1 0 181.254 2.609 10 0 AFAERO C[NH2+]CC1(CCC2CCCC2)CC1 300791017 571929527 /nfs/dbraw/zinc/92/95/27/571929527.db2.gz TYCXWOZLLYMYPK-UHFFFAOYSA-N 1 0 181.323 2.956 10 0 AFAERO CC[NH2+]Cc1ccn(CC(C)C)c1C 300792573 571929535 /nfs/dbraw/zinc/92/95/35/571929535.db2.gz CEOURPRRFIZIGD-UHFFFAOYSA-N 1 0 194.322 2.562 10 0 AFAERO C[C@@H]1CCC[C@H](CO[C@H](C)[C@@H](C)[NH3+])C1 300794360 571929547 /nfs/dbraw/zinc/92/95/47/571929547.db2.gz VFIMSHSSEQJREF-KKOKHZNYSA-N 1 0 199.338 2.565 10 0 AFAERO CSc1ccc(C)c(/C=C\C[NH3+])c1 687681535 571930435 /nfs/dbraw/zinc/93/04/35/571930435.db2.gz ITAUBUXOTKFUGB-ARJAWSKDSA-N 1 0 193.315 2.689 10 0 AFAERO Cc1ccc(C(F)F)c(/C=C\C[NH3+])c1 687681979 571929653 /nfs/dbraw/zinc/92/96/53/571929653.db2.gz DXDRPSPYGKEJJT-IHWYPQMZSA-N 1 0 197.228 2.905 10 0 AFAERO CC[C@H](C)[C@H]([NH3+])c1ccnn1C(C)C 300792430 571929670 /nfs/dbraw/zinc/92/96/70/571929670.db2.gz UVCFPQKWGKGOCI-ONGXEEELSA-N 1 0 195.310 2.510 10 0 AFAERO CC(C)(C)CCCC(=O)CCC[NH3+] 300795904 571929682 /nfs/dbraw/zinc/92/96/82/571929682.db2.gz DBXGZSZDEZUQLL-UHFFFAOYSA-N 1 0 185.311 2.511 10 0 AFAERO [NH3+]C/C=C\c1ccc(C2CC2)c(F)c1 687681205 571929705 /nfs/dbraw/zinc/92/97/05/571929705.db2.gz YVPGHOSWNQTZIR-UPHRSURJSA-N 1 0 191.249 2.675 10 0 AFAERO CC(C)(C)CCC[C@@H]1CC[C@@H]1[NH3+] 300793908 571929713 /nfs/dbraw/zinc/92/97/13/571929713.db2.gz ZGIFXZRCUBLYRB-ZJUUUORDSA-N 1 0 169.312 2.940 10 0 AFAERO C[C@H]([NH3+])[C@@H](C)OC[C@@H]1CCC[C@@H](C)C1 300794365 571929768 /nfs/dbraw/zinc/92/97/68/571929768.db2.gz VFIMSHSSEQJREF-WRWGMCAJSA-N 1 0 199.338 2.565 10 0 AFAERO CCC[C@H](C)[C@H]([NH3+])[C@H](C)CSC 300791579 571929821 /nfs/dbraw/zinc/92/98/21/571929821.db2.gz YGIMZSRVWNJKFJ-AEJSXWLSSA-N 1 0 189.368 2.749 10 0 AFAERO C[C@H](OC[C@@H]1CCC[C@@H](C)C1)[C@@H](C)[NH3+] 300794364 571929829 /nfs/dbraw/zinc/92/98/29/571929829.db2.gz VFIMSHSSEQJREF-WISYIIOYSA-N 1 0 199.338 2.565 10 0 AFAERO CC(C)c1cc(F)cc(/C=C\C[NH3+])c1 687681539 571929853 /nfs/dbraw/zinc/92/98/53/571929853.db2.gz NTTNADIDMMZLAP-ARJAWSKDSA-N 1 0 193.265 2.921 10 0 AFAERO CCc1cc(Cl)cc(/C=C\C[NH3+])c1 687681844 571929855 /nfs/dbraw/zinc/92/98/55/571929855.db2.gz ROZXUTOATPUMGL-ARJAWSKDSA-N 1 0 195.693 2.874 10 0 AFAERO CC(C)(C)CCCO[C@H]1CC[C@@H]([NH3+])C1 300791377 571929872 /nfs/dbraw/zinc/92/98/72/571929872.db2.gz CLKQJAQFDFCSFN-MNOVXSKESA-N 1 0 199.338 2.709 10 0 AFAERO C[C@H]([NH3+])[C@@H](C)OC[C@H]1CCC[C@@H](C)C1 300794361 571929897 /nfs/dbraw/zinc/92/98/97/571929897.db2.gz VFIMSHSSEQJREF-KXNHARMFSA-N 1 0 199.338 2.565 10 0 AFAERO CSc1ccc(/C=C\C[NH3+])c(C)c1 687681543 571929902 /nfs/dbraw/zinc/92/99/02/571929902.db2.gz WVUQRYWZIDTQQV-ARJAWSKDSA-N 1 0 193.315 2.689 10 0 AFAERO C[C@H]([NH3+])/C=C\C1(C)CCCCC1 394784176 571929986 /nfs/dbraw/zinc/92/99/86/571929986.db2.gz NNVITJLNMCSYBG-MBACFSSFSA-N 1 0 167.296 2.860 10 0 AFAERO C[NH2+]C/C=C/Cc1cccc(Cl)c1 687681854 571930070 /nfs/dbraw/zinc/93/00/70/571930070.db2.gz BHEVVXQOBOCXIC-NSCUHMNNSA-N 1 0 195.693 2.658 10 0 AFAERO C[C@H](F)Cc1cccc(/C=C\C[NH3+])c1 687681554 571930085 /nfs/dbraw/zinc/93/00/85/571930085.db2.gz NSZAPUQXXDGRPF-NWPZZWLHSA-N 1 0 193.265 2.559 10 0 AFAERO C[C@H](F)c1c(F)cccc1/C=C\C[NH3+] 687681980 571930147 /nfs/dbraw/zinc/93/01/47/571930147.db2.gz FZIVIVOPRDSCRV-NHLYECAPSA-N 1 0 197.228 2.828 10 0 AFAERO C[C@@H]1CCC[C@@H](CO[C@H](C)[C@@H](C)[NH3+])C1 300794359 571930172 /nfs/dbraw/zinc/93/01/72/571930172.db2.gz VFIMSHSSEQJREF-DDHJBXDOSA-N 1 0 199.338 2.565 10 0 AFAERO CCc1ccc(Cl)cc1/C=C\C[NH3+] 687681842 571930273 /nfs/dbraw/zinc/93/02/73/571930273.db2.gz PTTFMGMCLDVUKU-ARJAWSKDSA-N 1 0 195.693 2.874 10 0 AFAERO CSc1cc(C)ccc1/C=C\C[NH3+] 687681533 571930302 /nfs/dbraw/zinc/93/03/02/571930302.db2.gz FCWVXKGTHMVBCV-ARJAWSKDSA-N 1 0 193.315 2.689 10 0 AFAERO C[C@H]([NH3+])[C@H](C)OC[C@@H]1CCC[C@@H](C)C1 300794362 571930314 /nfs/dbraw/zinc/93/03/14/571930314.db2.gz VFIMSHSSEQJREF-NOOOWODRSA-N 1 0 199.338 2.565 10 0 AFAERO C[C@@H]([NH3+])CSCCC1CCCC1 300797431 571930355 /nfs/dbraw/zinc/93/03/55/571930355.db2.gz UYDSAZUVFIAUOL-SECBINFHSA-N 1 0 187.352 2.647 10 0 AFAERO CCc1cc(/C=C\C[NH3+])c(C)cc1F 687681537 571930361 /nfs/dbraw/zinc/93/03/61/571930361.db2.gz LHRVPEXMAAIAPY-PLNGDYQASA-N 1 0 193.265 2.668 10 0 AFAERO C=C/C=C(/C=C)C[C@H](F)[C@H]1CC[NH2+]C1 687681869 571930423 /nfs/dbraw/zinc/93/04/23/571930423.db2.gz VVVVEVMKQJCKPQ-OUONCDGISA-N 1 0 195.281 2.623 10 0 AFAERO Cc1cc(Cl)c(C)c(/C=C\C[NH3+])c1 687681843 571930527 /nfs/dbraw/zinc/93/05/27/571930527.db2.gz RJFPJHGTJPRHEP-ARJAWSKDSA-N 1 0 195.693 2.929 10 0 AFAERO 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/nfs/dbraw/zinc/02/08/47/572020847.db2.gz WBIOLDBZKLKWIK-NSHDSACASA-N 1 0 187.302 2.891 10 0 AFAERO CCSC[C@@H]([NH3+])CCCC(F)F 687883369 572020904 /nfs/dbraw/zinc/02/09/04/572020904.db2.gz NJGOAQBVEHWHMG-ZETCQYMHSA-N 1 0 197.294 2.502 10 0 AFAERO C[NH2+][C@H](CC1CC1)c1cc(C)c(C)o1 300887934 572020885 /nfs/dbraw/zinc/02/08/85/572020885.db2.gz NYMBELJHSMTKNM-LLVKDONJSA-N 1 0 193.290 2.957 10 0 AFAERO CC(C)C1([NH2+]CC=C2CCC2)CC1 393463079 572020910 /nfs/dbraw/zinc/02/09/10/572020910.db2.gz GYPJMNNCRHYCSR-UHFFFAOYSA-N 1 0 179.307 2.875 10 0 AFAERO C[C@]1([C@H]([NH3+])C[C@H]2CC=CCC2)C[C@@H]1F 402134425 572020909 /nfs/dbraw/zinc/02/09/09/572020909.db2.gz IJTLEEMOYSGUKO-YFKTTZPYSA-N 1 0 197.297 2.808 10 0 AFAERO C[C@@]([NH3+])(CC1CC1)c1ccccc1F 687774745 572020928 /nfs/dbraw/zinc/02/09/28/572020928.db2.gz DISWFANYXKUOSG-GFCCVEGCSA-N 1 0 193.265 2.800 10 0 AFAERO CC[C@H]([NH3+])CCCCC1CCOCC1 300888654 572021140 /nfs/dbraw/zinc/02/11/40/572021140.db2.gz TYLJDTOIJRPUOW-LBPRGKRZSA-N 1 0 199.338 2.711 10 0 AFAERO C[C@]([NH3+])(CC1CC1)c1ccccc1F 687774746 572021222 /nfs/dbraw/zinc/02/12/22/572021222.db2.gz DISWFANYXKUOSG-LBPRGKRZSA-N 1 0 193.265 2.800 10 0 AFAERO CC(C)C[C@](C)(C[NH3+])OC(C)(C)C 219674110 572021292 /nfs/dbraw/zinc/02/12/92/572021292.db2.gz ADJSZBMBJSXFLJ-LLVKDONJSA-N 1 0 187.327 2.565 10 0 AFAERO CC[C@H](C)C[C@H](F)[C@H](C[NH3+])C(C)C 300242371 572021855 /nfs/dbraw/zinc/02/18/55/572021855.db2.gz NKHDXTLWAVKIOO-AXFHLTTASA-N 1 0 189.318 2.992 10 0 AFAERO C[C@@H](C1CC1)[C@H]([NH3+])CCCC(F)F 687914840 572021656 /nfs/dbraw/zinc/02/16/56/572021656.db2.gz FSAQLMSRLPHXNQ-IONNQARKSA-N 1 0 191.265 2.795 10 0 AFAERO CC[C@H](C)[C@H](F)[C@H](C[NH3+])C(C)C 300242359 572021811 /nfs/dbraw/zinc/02/18/11/572021811.db2.gz NHHQEXJMEIJXTI-AEJSXWLSSA-N 1 0 175.291 2.602 10 0 AFAERO CC[C@@H](C)[C@@](C)([NH3+])C=C(C)C 687774751 572021832 /nfs/dbraw/zinc/02/18/32/572021832.db2.gz GDZMKXJLISWDKE-ZJUUUORDSA-N 1 0 155.285 2.716 10 0 AFAERO CCCC(=[NH2+])N(C)C(C)(C)CC 69016952 572021927 /nfs/dbraw/zinc/02/19/27/572021927.db2.gz IHRVKWZEFSAQGA-UHFFFAOYSA-N 1 0 170.300 2.884 10 0 AFAERO CC(C)=CC[NH2+]C/C=C/C1CC1 393462167 572021959 /nfs/dbraw/zinc/02/19/59/572021959.db2.gz GNARZPQKIREOIF-ONEGZZNKSA-N 1 0 165.280 2.508 10 0 AFAERO C[C@](C[NH3+])(CF)CC1CCCCC1 219673649 572022025 /nfs/dbraw/zinc/02/20/25/572022025.db2.gz GHNFOHOQYZBNSM-LLVKDONJSA-N 1 0 187.302 2.891 10 0 AFAERO CCSC[C@H]([NH3+])CCCC(F)F 687883364 572022028 /nfs/dbraw/zinc/02/20/28/572022028.db2.gz NJGOAQBVEHWHMG-SSDOTTSWSA-N 1 0 197.294 2.502 10 0 AFAERO CCC(C)(C)N(C)C(=[NH2+])C(C)C 69016961 572022176 /nfs/dbraw/zinc/02/21/76/572022176.db2.gz WHZUSGXDMPKBRC-UHFFFAOYSA-N 1 0 170.300 2.740 10 0 AFAERO CC[C@@H](C)[C@](C)([NH3+])C=C(C)C 687774748 572022204 /nfs/dbraw/zinc/02/22/04/572022204.db2.gz GDZMKXJLISWDKE-NXEZZACHSA-N 1 0 155.285 2.716 10 0 AFAERO CC(C)C[C@@](C)(C[NH3+])OC(C)(C)C 219674027 572022295 /nfs/dbraw/zinc/02/22/95/572022295.db2.gz ADJSZBMBJSXFLJ-NSHDSACASA-N 1 0 187.327 2.565 10 0 AFAERO CC[C@H](C)[C@@H](F)[C@H](C[NH3+])C(C)C 300242360 572022272 /nfs/dbraw/zinc/02/22/72/572022272.db2.gz NHHQEXJMEIJXTI-IVZWLZJFSA-N 1 0 175.291 2.602 10 0 AFAERO CC(C)=CC[NH2+]C/C=C\C1CC1 393462166 572022279 /nfs/dbraw/zinc/02/22/79/572022279.db2.gz GNARZPQKIREOIF-ARJAWSKDSA-N 1 0 165.280 2.508 10 0 AFAERO C[C@H]([NH3+])CCOCC1CCCCCC1 300888410 572022440 /nfs/dbraw/zinc/02/24/40/572022440.db2.gz HEGOBEJRJMJWFP-NSHDSACASA-N 1 0 199.338 2.711 10 0 AFAERO CC[C@@H]([NH3+])CCCCC1CCOCC1 300888651 572022460 /nfs/dbraw/zinc/02/24/60/572022460.db2.gz TYLJDTOIJRPUOW-GFCCVEGCSA-N 1 0 199.338 2.711 10 0 AFAERO C[C@H](C1CC1)[C@@H]([NH3+])CCCC(F)F 687914838 572022544 /nfs/dbraw/zinc/02/25/44/572022544.db2.gz FSAQLMSRLPHXNQ-APPZFPTMSA-N 1 0 191.265 2.795 10 0 AFAERO CCOCCC[C@@H]([NH3+])c1ccccc1 35359158 572022578 /nfs/dbraw/zinc/02/25/78/572022578.db2.gz JQWWWURIBIWCCK-GFCCVEGCSA-N 1 0 193.290 2.503 10 0 AFAERO C[NH2+][C@@H](CC1CC1)c1cc(C)c(C)o1 300887937 572022606 /nfs/dbraw/zinc/02/26/06/572022606.db2.gz NYMBELJHSMTKNM-NSHDSACASA-N 1 0 193.290 2.957 10 0 AFAERO Cc1ccccc1[C@](C)([NH3+])CC1CC1 687774765 572022615 /nfs/dbraw/zinc/02/26/15/572022615.db2.gz NEYXZMWQRZPGQC-CYBMUJFWSA-N 1 0 189.302 2.969 10 0 AFAERO C[C@@H]([NH3+])CCOCC1CCCCCC1 300888409 572022656 /nfs/dbraw/zinc/02/26/56/572022656.db2.gz HEGOBEJRJMJWFP-LLVKDONJSA-N 1 0 199.338 2.711 10 0 AFAERO CC[C@H]([NH3+])[C@H](C)Cc1cccc(C)c1 82389179 572022843 /nfs/dbraw/zinc/02/28/43/572022843.db2.gz YMGOOKHCTBXVJP-YPMHNXCESA-N 1 0 191.318 2.911 10 0 AFAERO CC[C@H](C)C[C@@H](F)[C@H](C[NH3+])C(C)C 300242372 572022862 /nfs/dbraw/zinc/02/28/62/572022862.db2.gz NKHDXTLWAVKIOO-HBNTYKKESA-N 1 0 189.318 2.992 10 0 AFAERO c1ccc2c(NC3CCC3)cnnc2c1 82461897 572022914 /nfs/dbraw/zinc/02/29/14/572022914.db2.gz HJEKTSAHEOXRDI-UHFFFAOYSA-N 1 0 199.257 2.594 10 0 AFAERO CC[C@@H]([NH3+])[C@H](C)Cc1ccccc1 82398064 572023357 /nfs/dbraw/zinc/02/33/57/572023357.db2.gz LQBXJVMJUWEHFL-ZYHUDNBSSA-N 1 0 177.291 2.603 10 0 AFAERO CC(C)C(C)(C)CC(=O)C[C@H](C)C[NH3+] 713200074 572023013 /nfs/dbraw/zinc/02/30/13/572023013.db2.gz SCTDQKMWQMDPNK-JTQLQIEISA-N 1 0 199.338 2.613 10 0 AFAERO CC[C@H](C)[C@@](C)([NH3+])C=C(C)C 687774749 572023040 /nfs/dbraw/zinc/02/30/40/572023040.db2.gz GDZMKXJLISWDKE-UWVGGRQHSA-N 1 0 155.285 2.716 10 0 AFAERO CCC[C@@H]([NH3+])Cc1ccc(F)c(C)c1 71424577 572023171 /nfs/dbraw/zinc/02/31/71/572023171.db2.gz QKKHIYPGLZVKIM-LLVKDONJSA-N 1 0 195.281 2.804 10 0 AFAERO [NH3+]CC/C=C/C[C@H]1CCC(F)(F)C1 300889159 572023226 /nfs/dbraw/zinc/02/32/26/572023226.db2.gz BEXSWXSMJPKNOJ-VWCDRPFISA-N 1 0 189.249 2.717 10 0 AFAERO CCC[C@H]([NH3+])Cc1ccc(F)c(C)c1 71424576 572023276 /nfs/dbraw/zinc/02/32/76/572023276.db2.gz QKKHIYPGLZVKIM-NSHDSACASA-N 1 0 195.281 2.804 10 0 AFAERO [NH3+]CC/C=C/C[C@@H]1CCC(F)(F)C1 300889156 572023286 /nfs/dbraw/zinc/02/32/86/572023286.db2.gz BEXSWXSMJPKNOJ-GPYPMJJRSA-N 1 0 189.249 2.717 10 0 AFAERO CC(C)(C)CCc1ncc(C[NH3+])s1 300889176 572023315 /nfs/dbraw/zinc/02/33/15/572023315.db2.gz PKYBWLFTBUCJEH-UHFFFAOYSA-N 1 0 198.335 2.581 10 0 AFAERO CC[C@@H]([NH3+])[C@H](C)Cc1cccc(C)c1 82389180 572023568 /nfs/dbraw/zinc/02/35/68/572023568.db2.gz YMGOOKHCTBXVJP-DGCLKSJQSA-N 1 0 191.318 2.911 10 0 AFAERO CC[C@@H]([NH3+])[C@H](C)Cc1ccc(C)cc1 82389184 572024067 /nfs/dbraw/zinc/02/40/67/572024067.db2.gz MFHBZLLNSSBMPJ-DGCLKSJQSA-N 1 0 191.318 2.911 10 0 AFAERO CC[C@H]([NH3+])[C@@H](C)Cc1ccc(C)cc1 82389181 572024244 /nfs/dbraw/zinc/02/42/44/572024244.db2.gz MFHBZLLNSSBMPJ-AAEUAGOBSA-N 1 0 191.318 2.911 10 0 AFAERO CC[C@@H]([NH3+])CCCOCCCC1CC1 711573300 572024303 /nfs/dbraw/zinc/02/43/03/572024303.db2.gz RNGDIRBOKMOGAT-GFCCVEGCSA-N 1 0 199.338 2.711 10 0 AFAERO CC[C@@H]([NH3+])[C@@H](C)Cc1ccc(C)cc1 82389182 572024429 /nfs/dbraw/zinc/02/44/29/572024429.db2.gz MFHBZLLNSSBMPJ-WCQYABFASA-N 1 0 191.318 2.911 10 0 AFAERO CCCC(=[NH2+])NC[C@@H]1CCC[C@H]1C 300244248 572024440 /nfs/dbraw/zinc/02/44/40/572024440.db2.gz WPZZPVWYEDKOSR-ZJUUUORDSA-N 1 0 182.311 2.790 10 0 AFAERO CCc1ccc([C@H]([NH2+]C)C2CC2)s1 35460997 572024660 /nfs/dbraw/zinc/02/46/60/572024660.db2.gz XRHWVNQVVOFYFW-LLVKDONJSA-N 1 0 195.331 2.981 10 0 AFAERO CC[NH2+]C[C@@H]1[C@@H](c2ccco2)C1(C)C 300892187 572024853 /nfs/dbraw/zinc/02/48/53/572024853.db2.gz BLUZKCXDPJFKMM-KOLCDFICSA-N 1 0 193.290 2.629 10 0 AFAERO CC[NH2+]C[C@H]1[C@H](c2ccco2)C1(C)C 300892184 572024970 /nfs/dbraw/zinc/02/49/70/572024970.db2.gz BLUZKCXDPJFKMM-GXSJLCMTSA-N 1 0 193.290 2.629 10 0 AFAERO CC[C@@H]([NH3+])[C@@H](C)Cc1ccccc1 82398062 572025041 /nfs/dbraw/zinc/02/50/41/572025041.db2.gz LQBXJVMJUWEHFL-CMPLNLGQSA-N 1 0 177.291 2.603 10 0 AFAERO CC[NH2+]C[C@@H]1[C@H](c2ccco2)C1(C)C 300892190 572025126 /nfs/dbraw/zinc/02/51/26/572025126.db2.gz BLUZKCXDPJFKMM-MWLCHTKSSA-N 1 0 193.290 2.629 10 0 AFAERO CC[C@H]([NH3+])[C@@H](C)Cc1ccccc1 82398061 572025200 /nfs/dbraw/zinc/02/52/00/572025200.db2.gz LQBXJVMJUWEHFL-JQWIXIFHSA-N 1 0 177.291 2.603 10 0 AFAERO CC(C)C(C)(C)CC(=O)C[C@@H](C)C[NH3+] 713200077 572025471 /nfs/dbraw/zinc/02/54/71/572025471.db2.gz SCTDQKMWQMDPNK-SNVBAGLBSA-N 1 0 199.338 2.613 10 0 AFAERO CC[NH2+]C[C@H]1[C@@H](c2ccco2)C1(C)C 300892194 572025480 /nfs/dbraw/zinc/02/54/80/572025480.db2.gz BLUZKCXDPJFKMM-ONGXEEELSA-N 1 0 193.290 2.629 10 0 AFAERO CCc1ccc([C@H](CC)[NH2+]C)s1 35460647 572025535 /nfs/dbraw/zinc/02/55/35/572025535.db2.gz PNLULNBIVNZULI-VIFPVBQESA-N 1 0 183.320 2.981 10 0 AFAERO CC(C)C[C@@H](C)CC(=O)CC[C@@H](C)[NH3+] 300893614 572025678 /nfs/dbraw/zinc/02/56/78/572025678.db2.gz KEAMHRIWXIMCOQ-GHMZBOCLSA-N 1 0 199.338 2.755 10 0 AFAERO CC[C@H]([NH3+])CCCOCCCC1CC1 711573302 572025687 /nfs/dbraw/zinc/02/56/87/572025687.db2.gz RNGDIRBOKMOGAT-LBPRGKRZSA-N 1 0 199.338 2.711 10 0 AFAERO CCC[C@@H](COCCCC1CC1)[NH2+]C 711573395 572025702 /nfs/dbraw/zinc/02/57/02/572025702.db2.gz UFMPKYFIVICTQS-LBPRGKRZSA-N 1 0 199.338 2.581 10 0 AFAERO CC(C)C[C@H](C)CC(=O)CC[C@@H](C)[NH3+] 300893622 572026079 /nfs/dbraw/zinc/02/60/79/572026079.db2.gz KEAMHRIWXIMCOQ-WDEREUQCSA-N 1 0 199.338 2.755 10 0 AFAERO CCCC(=[NH2+])NC[C@H]1CCC[C@H]1C 300244247 572025871 /nfs/dbraw/zinc/02/58/71/572025871.db2.gz WPZZPVWYEDKOSR-NXEZZACHSA-N 1 0 182.311 2.790 10 0 AFAERO CC(C)C[C@H](C)CC(=O)CC[C@H](C)[NH3+] 300893620 572026090 /nfs/dbraw/zinc/02/60/90/572026090.db2.gz KEAMHRIWXIMCOQ-QWRGUYRKSA-N 1 0 199.338 2.755 10 0 AFAERO CCCCC[C@@H](C)[C@@H]([NH3+])CC 82443200 572025984 /nfs/dbraw/zinc/02/59/84/572025984.db2.gz PLWGIRADOOCQEY-ZJUUUORDSA-N 1 0 157.301 2.940 10 0 AFAERO CCc1nc(C(C)C)sc1C[NH2+]C 82422532 572026063 /nfs/dbraw/zinc/02/60/63/572026063.db2.gz MCKGPAWXSIMREB-UHFFFAOYSA-N 1 0 198.335 2.548 10 0 AFAERO CC[NH2+][C@H](CC)[C@H](C)c1ccccn1 82443157 572026383 /nfs/dbraw/zinc/02/63/83/572026383.db2.gz FYOCWAWNAUETAT-WDEREUQCSA-N 1 0 192.306 2.573 10 0 AFAERO CC(C)C[C@@H](C)CC(=O)CC[C@H](C)[NH3+] 300893617 572026199 /nfs/dbraw/zinc/02/61/99/572026199.db2.gz KEAMHRIWXIMCOQ-MNOVXSKESA-N 1 0 199.338 2.755 10 0 AFAERO CCCC[C@@H](C)[C@H](CC)[NH2+]C 82443547 572026247 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/nfs/dbraw/zinc/07/75/21/572077521.db2.gz UEEJCZCIHFRNJG-UHFFFAOYSA-N 1 0 189.302 2.809 10 0 AFAERO CCC(CC)[C@@H](C)N1CCCC1=[NH2+] 82633294 572077586 /nfs/dbraw/zinc/07/75/86/572077586.db2.gz DPABSVDIZVRBIY-SECBINFHSA-N 1 0 182.311 2.884 10 0 AFAERO CCC(CC)[C@H](C)[NH2+]C1CCC1 82630890 572077906 /nfs/dbraw/zinc/07/79/06/572077906.db2.gz ZJOCHKMKQXKIQF-VIFPVBQESA-N 1 0 169.312 2.953 10 0 AFAERO CCSC[C@H]([NH3+])C[C@@H]1CC=CCC1 402247867 572077916 /nfs/dbraw/zinc/07/79/16/572077916.db2.gz PCCXRFJQIAQODF-GHMZBOCLSA-N 1 0 199.363 2.813 10 0 AFAERO CCCCC[NH2+][C@H](C)Cc1ccco1 36993375 572078060 /nfs/dbraw/zinc/07/80/60/572078060.db2.gz VUVHPILBWQTXAW-LLVKDONJSA-N 1 0 195.306 2.990 10 0 AFAERO CC[C@@H]1CC[C@H]([NH3+])[C@H](OCC(C)C)C1 36994215 572078063 /nfs/dbraw/zinc/07/80/63/572078063.db2.gz MVJRBIBGIALECE-GRYCIOLGSA-N 1 0 199.338 2.565 10 0 AFAERO CC[NH2+][C@@H](C)Cc1cccc(Cl)c1 36998084 572078051 /nfs/dbraw/zinc/07/80/51/572078051.db2.gz RFNFLLWJLUDKJZ-VIFPVBQESA-N 1 0 197.709 2.881 10 0 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572079293 /nfs/dbraw/zinc/07/92/93/572079293.db2.gz UFSDPKGGLHGLHK-LBPRGKRZSA-N 1 0 192.306 2.697 10 0 AFAERO CC[NH2+]C[C@@H]1CCCC[C@H]1CC 82658782 572079327 /nfs/dbraw/zinc/07/93/27/572079327.db2.gz PNVSBEXNAPGDBT-MNOVXSKESA-N 1 0 169.312 2.812 10 0 AFAERO Cc1ccccc1CC[C@H]([NH3+])C(C)C 36988371 572079374 /nfs/dbraw/zinc/07/93/74/572079374.db2.gz FTCCKRTVDNLZEL-ZDUSSCGKSA-N 1 0 191.318 2.911 10 0 AFAERO CC[C@@H]1CCCC[C@H]1CC[NH2+]C 82658882 572079380 /nfs/dbraw/zinc/07/93/80/572079380.db2.gz PJMIPYLYBAWMTA-MNOVXSKESA-N 1 0 169.312 2.812 10 0 AFAERO C[NH2+][C@@H](CC(C)C)c1cc(C)ccn1 82643717 572079423 /nfs/dbraw/zinc/07/94/23/572079423.db2.gz NHJDGOFXMCWXMG-NSHDSACASA-N 1 0 192.306 2.697 10 0 AFAERO CC[NH2+][C@H](C)Cc1cccc(Cl)c1 36998085 572079527 /nfs/dbraw/zinc/07/95/27/572079527.db2.gz RFNFLLWJLUDKJZ-SECBINFHSA-N 1 0 197.709 2.881 10 0 AFAERO CC[C@H](C)C[C@H]([NH3+])c1cc(C)ccn1 82643660 572079581 /nfs/dbraw/zinc/07/95/81/572079581.db2.gz KSGMQEMRXYUCFQ-ONGXEEELSA-N 1 0 192.306 2.826 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Cc1cc(C)cc(/C=C\CC[NH3+])c1 214887137 572083897 /nfs/dbraw/zinc/08/38/97/572083897.db2.gz WBYHRMHABWFDFP-HYXAFXHYSA-N 1 0 175.275 2.665 10 0 AFAERO Cc1c[nH]c(NC[C@H](C)C(C)(C)C)[nH+]1 235120542 572084010 /nfs/dbraw/zinc/08/40/10/572084010.db2.gz WPENFDDWMQOZAR-QMMMGPOBSA-N 1 0 195.310 2.812 10 0 AFAERO CCn1c[nH+]c([C@H](C)CC(C)C)c1N 300931376 572084103 /nfs/dbraw/zinc/08/41/03/572084103.db2.gz NUAHIHMMZXFQMB-SECBINFHSA-N 1 0 195.310 2.635 10 0 AFAERO C/C(=C\CC[NH3+])c1ccc(C)s1 214894329 572084227 /nfs/dbraw/zinc/08/42/27/572084227.db2.gz SAYQPRXWDKHNNT-XBXARRHUSA-N 1 0 181.304 2.809 10 0 AFAERO C[NH2+]Cc1ccc(F)cc1C(C)C 234385907 572084418 /nfs/dbraw/zinc/08/44/18/572084418.db2.gz JYXUTWBQGVNMHD-UHFFFAOYSA-N 1 0 181.254 2.669 10 0 AFAERO CCCC[C@@H]([NH3+])c1ccc(Cl)cn1 82703903 572084446 /nfs/dbraw/zinc/08/44/46/572084446.db2.gz ODKRVPBMUZLQEF-SECBINFHSA-N 1 0 198.697 2.925 10 0 AFAERO [NH3+][C@@H](c1cccc2ncccc12)C1CC1 82703891 572084573 /nfs/dbraw/zinc/08/45/73/572084573.db2.gz 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CC(C)(C)c1ccc(/C=C\C[NH3+])cc1 214893609 572085394 /nfs/dbraw/zinc/08/53/94/572085394.db2.gz AWLDBBLNFPHDPX-PLNGDYQASA-N 1 0 189.302 2.956 10 0 AFAERO CC[C@@H]([NH3+])c1cccc(OC(C)C)c1 82707458 572085537 /nfs/dbraw/zinc/08/55/37/572085537.db2.gz OGNFTJHQJSBAAL-GFCCVEGCSA-N 1 0 193.290 2.884 10 0 AFAERO Cc1cn([C@@H]2CCC[C@H](C)C2)c(N)[nH+]1 235621020 572085750 /nfs/dbraw/zinc/08/57/50/572085750.db2.gz ZBOLSOIKQNUXPP-WCBMZHEXSA-N 1 0 193.294 2.525 10 0 AFAERO C[NH2+]Cc1cc(C2CC2)ccc1Cl 234387763 572085803 /nfs/dbraw/zinc/08/58/03/572085803.db2.gz HBVDGBHDFCQPQE-UHFFFAOYSA-N 1 0 195.693 2.937 10 0 AFAERO CC(C)(C)C[C@H]([NH3+])[C@@]12CCC[C@@H]1C2 713211218 572086035 /nfs/dbraw/zinc/08/60/35/572086035.db2.gz KVFFWZZVVMOLFE-JFGNBEQYSA-N 1 0 181.323 2.940 10 0 AFAERO Cc1c[nH]c(Nc2ccc(F)cc2)[nH+]1 235856590 572086280 /nfs/dbraw/zinc/08/62/80/572086280.db2.gz VTQISFISGMQYAH-UHFFFAOYSA-N 1 0 191.209 2.601 10 0 AFAERO CCCC[C@H]([NH3+])c1ccc(Cl)cn1 82703901 572086389 /nfs/dbraw/zinc/08/63/89/572086389.db2.gz ODKRVPBMUZLQEF-VIFPVBQESA-N 1 0 198.697 2.925 10 0 AFAERO C/C=C/C[NH2+]CC1(SC)CCCC1 235123016 572087433 /nfs/dbraw/zinc/08/74/33/572087433.db2.gz RVIQAXYLBZNLHG-ONEGZZNKSA-N 1 0 199.363 2.828 10 0 AFAERO CC1=C(C)[C@H]2[NH2+]CCC[C@@]2(C)CC1 34499947 572087514 /nfs/dbraw/zinc/08/75/14/572087514.db2.gz HZWYPGQCYJEJMO-NEPJUHHUSA-N 1 0 179.307 2.875 10 0 AFAERO Cc1cc(C)c(/C=C\CC[NH3+])cc1C 214896812 572087575 /nfs/dbraw/zinc/08/75/75/572087575.db2.gz PKJQGCCUIQHQAB-XQRVVYSFSA-N 1 0 189.302 2.974 10 0 AFAERO CCCCCCOC1CC(C[NH2+]C)C1 84985156 572088116 /nfs/dbraw/zinc/08/81/16/572088116.db2.gz IHHSMSUGGOZQSW-UHFFFAOYSA-N 1 0 199.338 2.581 10 0 AFAERO [NH3+]CC/C=C\c1ccc(Cl)s1 214914106 572088347 /nfs/dbraw/zinc/08/83/47/572088347.db2.gz CXSPUANGHDWBGN-IWQZZHSRSA-N 1 0 187.695 2.764 10 0 AFAERO CC1=C(C)[C@@H]2[NH2+]CCC[C@]2(C)CC1 34499954 572088491 /nfs/dbraw/zinc/08/84/91/572088491.db2.gz HZWYPGQCYJEJMO-NWDGAFQWSA-N 1 0 179.307 2.875 10 0 AFAERO CCCCOC[C@H]([NH3+])c1ccccc1 37093461 572088517 /nfs/dbraw/zinc/08/85/17/572088517.db2.gz LMCFMADRHVJQST-LBPRGKRZSA-N 1 0 193.290 2.503 10 0 AFAERO CCCCO[C@H]1CCCCCC[C@H]1[NH3+] 37093458 572088841 /nfs/dbraw/zinc/08/88/41/572088841.db2.gz AJYILUXIXFUEQA-NEPJUHHUSA-N 1 0 199.338 2.853 10 0 AFAERO CCCCO[C@@H](CC)[C@H]([NH3+])CCC 37093411 572088847 /nfs/dbraw/zinc/08/88/47/572088847.db2.gz KDOMLQBMIJCJKA-MNOVXSKESA-N 1 0 187.327 2.709 10 0 AFAERO CS[C@@H]1CC[C@@H]([NH2+]CC=C(C)C)C1 235123964 572088985 /nfs/dbraw/zinc/08/89/85/572088985.db2.gz WGVKDLAXJCHSMC-GHMZBOCLSA-N 1 0 199.363 2.826 10 0 AFAERO CCCCO[C@@H]1C[C@@H](CC)CC[C@@H]1[NH3+] 37093365 572089008 /nfs/dbraw/zinc/08/90/08/572089008.db2.gz CQAGLTFCJAOPNX-SDDRHHMPSA-N 1 0 199.338 2.709 10 0 AFAERO CSc1ccc(/C(C)=C\C[NH3+])cc1 214900987 572089849 /nfs/dbraw/zinc/08/98/49/572089849.db2.gz PDIIFXAMMSPUPH-CLFYSBASSA-N 1 0 193.315 2.771 10 0 AFAERO CCCCO[C@@H]1C[C@H](CC)CC[C@@H]1[NH3+] 37093363 572089936 /nfs/dbraw/zinc/08/99/36/572089936.db2.gz CQAGLTFCJAOPNX-GRYCIOLGSA-N 1 0 199.338 2.709 10 0 AFAERO CC(C)C[C@@H](C)C[C@]1([NH3+])CCCOC1 300934535 572090023 /nfs/dbraw/zinc/09/00/23/572090023.db2.gz OCBHPKCAMVJDMN-VXGBXAGGSA-N 1 0 199.338 2.567 10 0 AFAERO C[NH2+][C@H](CC1CC1)[C@H]1CCC[C@H]1C 300304686 572090071 /nfs/dbraw/zinc/09/00/71/572090071.db2.gz AHRVOLGNYYQUFQ-ADEWGFFLSA-N 1 0 181.323 2.811 10 0 AFAERO Cc1cc(C)c2c(c1)SCC[C@@H]2[NH3+] 34536520 572090140 /nfs/dbraw/zinc/09/01/40/572090140.db2.gz CZFSQJFAAMPRTK-VIFPVBQESA-N 1 0 193.315 2.799 10 0 AFAERO CC[C@H](C[C@@H]1CCC(F)(F)C1)[NH2+]C 300934232 572090162 /nfs/dbraw/zinc/09/01/62/572090162.db2.gz MQOAQKCNOMXGOX-DTWKUNHWSA-N 1 0 191.265 2.810 10 0 AFAERO CC[C@@H]([NH3+])CSCc1ccccc1 82743819 572090186 /nfs/dbraw/zinc/09/01/86/572090186.db2.gz XLKSXTPHPCZXJO-LLVKDONJSA-N 1 0 195.331 2.657 10 0 AFAERO CCCCO[C@H](CC)[C@H]([NH3+])CCC 37093412 572090302 /nfs/dbraw/zinc/09/03/02/572090302.db2.gz KDOMLQBMIJCJKA-GHMZBOCLSA-N 1 0 187.327 2.709 10 0 AFAERO C/C(=C\C[NH3+])c1cc2ccccc2o1 214900513 572090392 /nfs/dbraw/zinc/09/03/92/572090392.db2.gz AEZVBJIHXWOOTB-RMKNXTFCSA-N 1 0 187.242 2.795 10 0 AFAERO CCC[NH2+][C@@H](C)CCCSCC 82743752 572090416 /nfs/dbraw/zinc/09/04/16/572090416.db2.gz WWKOWOOTRMIHTD-JTQLQIEISA-N 1 0 189.368 2.908 10 0 AFAERO CCCCOC[C@@H]([NH3+])c1ccccc1 37093462 572090439 /nfs/dbraw/zinc/09/04/39/572090439.db2.gz LMCFMADRHVJQST-GFCCVEGCSA-N 1 0 193.290 2.503 10 0 AFAERO CCCCC[C@@H]([NH2+]C)[C@H](C)OCC 82737679 572090479 /nfs/dbraw/zinc/09/04/79/572090479.db2.gz JYXJCBVWKOENGV-WDEREUQCSA-N 1 0 187.327 2.580 10 0 AFAERO CSc1ccc(/C=C\CC[NH3+])cc1 214899617 572090532 /nfs/dbraw/zinc/09/05/32/572090532.db2.gz VEQZKVQERLSYLJ-RQOWECAXSA-N 1 0 193.315 2.771 10 0 AFAERO C/C(=C\C[NH3+])c1ccccc1Cl 214910068 572090749 /nfs/dbraw/zinc/09/07/49/572090749.db2.gz WCVPNNNBJLYRSM-SOFGYWHQSA-N 1 0 181.666 2.702 10 0 AFAERO CC[C@H](CSC(C)(C)C)[NH2+]C 82743784 572090685 /nfs/dbraw/zinc/09/06/85/572090685.db2.gz UDTDMLZWFJRXPF-MRVPVSSYSA-N 1 0 175.341 2.516 10 0 AFAERO C[C@H]([NH3+])CCSc1ccc(F)cc1 82743847 572090744 /nfs/dbraw/zinc/09/07/44/572090744.db2.gz QQQITJCEQMDGKB-QMMMGPOBSA-N 1 0 199.294 2.655 10 0 AFAERO CCCCO[C@H](CC)[C@@H]([NH3+])CCC 37093414 572090768 /nfs/dbraw/zinc/09/07/68/572090768.db2.gz KDOMLQBMIJCJKA-WDEREUQCSA-N 1 0 187.327 2.709 10 0 AFAERO CC(C)[C@H](C)C[NH2+][C@@H]1C[C@H]2CC=C[C@@H]21 82737840 572090809 /nfs/dbraw/zinc/09/08/09/572090809.db2.gz AWBYVVOMFCTIQU-FVCCEPFGSA-N 1 0 193.334 2.833 10 0 AFAERO C[NH2+][C@H](CC1CC1)[C@@H]1CCC[C@H]1C 300304687 572090834 /nfs/dbraw/zinc/09/08/34/572090834.db2.gz AHRVOLGNYYQUFQ-YUSALJHKSA-N 1 0 181.323 2.811 10 0 AFAERO CCc1ccc(/C=C\CC[NH3+])s1 214899753 572090861 /nfs/dbraw/zinc/09/08/61/572090861.db2.gz YQHYXICAXHWEOG-HYXAFXHYSA-N 1 0 181.304 2.673 10 0 AFAERO CCCCO[C@@H]1CCCCCC[C@H]1[NH3+] 37093457 572090891 /nfs/dbraw/zinc/09/08/91/572090891.db2.gz AJYILUXIXFUEQA-VXGBXAGGSA-N 1 0 199.338 2.853 10 0 AFAERO CCCCC[C@H]([NH2+]C)[C@@H](C)OCC 82737676 572091000 /nfs/dbraw/zinc/09/10/00/572091000.db2.gz JYXJCBVWKOENGV-MNOVXSKESA-N 1 0 187.327 2.580 10 0 AFAERO CC[NH2+][C@@H](C)CS[C@@H](C)CC 82743777 572091169 /nfs/dbraw/zinc/09/11/69/572091169.db2.gz UJERWEWYLVLSKZ-IUCAKERBSA-N 1 0 175.341 2.516 10 0 AFAERO CCC[NH2+][C@H](C)CCCSCC 82743753 572091188 /nfs/dbraw/zinc/09/11/88/572091188.db2.gz WWKOWOOTRMIHTD-SNVBAGLBSA-N 1 0 189.368 2.908 10 0 AFAERO CC[NH2+][C@@H](C)CS[C@H](C)CC 82743776 572091247 /nfs/dbraw/zinc/09/12/47/572091247.db2.gz UJERWEWYLVLSKZ-DTWKUNHWSA-N 1 0 175.341 2.516 10 0 AFAERO CCCCO[C@@H](CC)[C@@H]([NH3+])CCC 37093413 572091262 /nfs/dbraw/zinc/09/12/62/572091262.db2.gz KDOMLQBMIJCJKA-QWRGUYRKSA-N 1 0 187.327 2.709 10 0 AFAERO CC/C(=C\CC[NH3+])c1ccccc1 214913353 572091379 /nfs/dbraw/zinc/09/13/79/572091379.db2.gz BZPVPMQFVPYMQT-PKNBQFBNSA-N 1 0 175.275 2.829 10 0 AFAERO C/C(=C/CC[NH3+])CCc1ccccc1 214911145 572091387 /nfs/dbraw/zinc/09/13/87/572091387.db2.gz XOLGOFCPNGMTFO-SDQBBNPISA-N 1 0 189.302 2.914 10 0 AFAERO CC[C@@H](C[C@@H]1CCC(F)(F)C1)[NH2+]C 300934236 572091467 /nfs/dbraw/zinc/09/14/67/572091467.db2.gz MQOAQKCNOMXGOX-IUCAKERBSA-N 1 0 191.265 2.810 10 0 AFAERO CC(C)C[C@@H](C)C[C@@]1([NH3+])CCCOC1 300934532 572091485 /nfs/dbraw/zinc/09/14/85/572091485.db2.gz OCBHPKCAMVJDMN-NEPJUHHUSA-N 1 0 199.338 2.567 10 0 AFAERO Cc1cc(C)c(/C=C\CC[NH3+])c(C)c1 214902088 572091498 /nfs/dbraw/zinc/09/14/98/572091498.db2.gz PIOGMDKOWZHWAN-XQRVVYSFSA-N 1 0 189.302 2.974 10 0 AFAERO CC(C)C[C@H](C)C[C@]1([NH3+])CCCOC1 300934533 572091552 /nfs/dbraw/zinc/09/15/52/572091552.db2.gz OCBHPKCAMVJDMN-NWDGAFQWSA-N 1 0 199.338 2.567 10 0 AFAERO CC[C@H](C[C@H]1CCC(F)(F)C1)[NH2+]C 300934239 572091576 /nfs/dbraw/zinc/09/15/76/572091576.db2.gz MQOAQKCNOMXGOX-RKDXNWHRSA-N 1 0 191.265 2.810 10 0 AFAERO CCC[NH2+][C@H](CSCC)C1CC1 82743751 572091608 /nfs/dbraw/zinc/09/16/08/572091608.db2.gz YHHDNRKWRNHVOR-SNVBAGLBSA-N 1 0 187.352 2.518 10 0 AFAERO CC(C)C[C@H](C)C[C@@]1([NH3+])CCCOC1 300934534 572091614 /nfs/dbraw/zinc/09/16/14/572091614.db2.gz OCBHPKCAMVJDMN-RYUDHWBXSA-N 1 0 199.338 2.567 10 0 AFAERO Cc1cccc(/C=C\CC[NH3+])c1C 214901871 572091619 /nfs/dbraw/zinc/09/16/19/572091619.db2.gz BIFOJYYRYQLPQA-CLTKARDFSA-N 1 0 175.275 2.665 10 0 AFAERO CC(C)C[C@H]1C=CC[C@@H](C(C)C)[NH2+]1 34540745 572092311 /nfs/dbraw/zinc/09/23/11/572092311.db2.gz MGPHSMMOXOQMHY-NEPJUHHUSA-N 1 0 181.323 2.975 10 0 AFAERO Cc1cc(C)c2c(c1)SCC[C@H]2[NH3+] 34536522 572091646 /nfs/dbraw/zinc/09/16/46/572091646.db2.gz CZFSQJFAAMPRTK-SECBINFHSA-N 1 0 193.315 2.799 10 0 AFAERO CCCCC[C@H]([NH2+]C)[C@H](C)OCC 82737678 572091903 /nfs/dbraw/zinc/09/19/03/572091903.db2.gz JYXJCBVWKOENGV-QWRGUYRKSA-N 1 0 187.327 2.580 10 0 AFAERO CCC[NH2+][C@@H](CC)CSCC 82743748 572091908 /nfs/dbraw/zinc/09/19/08/572091908.db2.gz IGVQVUQCRIURFB-VIFPVBQESA-N 1 0 175.341 2.518 10 0 AFAERO CC(C)(C)CCCC(=O)[C@H]1CCC[NH2+]1 300932760 572091971 /nfs/dbraw/zinc/09/19/71/572091971.db2.gz VDTVWVSCFDLRLI-SNVBAGLBSA-N 1 0 197.322 2.524 10 0 AFAERO CC[C@H]([NH3+])CSCc1ccccc1 82743818 572091980 /nfs/dbraw/zinc/09/19/80/572091980.db2.gz XLKSXTPHPCZXJO-NSHDSACASA-N 1 0 195.331 2.657 10 0 AFAERO CCC[NH2+][C@@H](C)CSCC(C)C 82743647 572092053 /nfs/dbraw/zinc/09/20/53/572092053.db2.gz MIGBNNROLOSMFE-JTQLQIEISA-N 1 0 189.368 2.764 10 0 AFAERO CCC[NH2+][C@H](CC)CSCC 82743749 572092293 /nfs/dbraw/zinc/09/22/93/572092293.db2.gz IGVQVUQCRIURFB-SECBINFHSA-N 1 0 175.341 2.518 10 0 AFAERO CCC[NH2+][C@H](C)CSCC(C)C 82743648 572092058 /nfs/dbraw/zinc/09/20/58/572092058.db2.gz MIGBNNROLOSMFE-SNVBAGLBSA-N 1 0 189.368 2.764 10 0 AFAERO CCCCC[C@@H]([NH2+]C)[C@@H](C)OCC 82737677 572092152 /nfs/dbraw/zinc/09/21/52/572092152.db2.gz JYXJCBVWKOENGV-GHMZBOCLSA-N 1 0 187.327 2.580 10 0 AFAERO CCC[NH2+][C@@H](CSCC)C1CC1 82743750 572092144 /nfs/dbraw/zinc/09/21/44/572092144.db2.gz YHHDNRKWRNHVOR-JTQLQIEISA-N 1 0 187.352 2.518 10 0 AFAERO CCC[NH2+]CC[C@@H]1CCC(F)(F)C1 300932969 572092861 /nfs/dbraw/zinc/09/28/61/572092861.db2.gz MNMFRSMLSMUNAH-VIFPVBQESA-N 1 0 191.265 2.812 10 0 AFAERO CC(C)CCCC[NH2+]Cc1cnoc1 687709562 572092967 /nfs/dbraw/zinc/09/29/67/572092967.db2.gz FOWIBQZSEGCPDF-UHFFFAOYSA-N 1 0 196.294 2.591 10 0 AFAERO CC/C(=C\CC[NH3+])c1cccs1 214916752 572093243 /nfs/dbraw/zinc/09/32/43/572093243.db2.gz DUFPABADPMGJPR-WEVVVXLNSA-N 1 0 181.304 2.890 10 0 AFAERO CC(C)(C)CCCC(=O)[C@@H]1CCC[NH2+]1 300932757 572093282 /nfs/dbraw/zinc/09/32/82/572093282.db2.gz VDTVWVSCFDLRLI-JTQLQIEISA-N 1 0 197.322 2.524 10 0 AFAERO CC/C(=C\C[NH3+])c1cccs1 214922052 572093358 /nfs/dbraw/zinc/09/33/58/572093358.db2.gz LTWCEMWRKFKFIW-VMPITWQZSA-N 1 0 167.277 2.500 10 0 AFAERO CCC[NH2+]CC[C@H]1CCC(F)(F)C1 300932966 572093465 /nfs/dbraw/zinc/09/34/65/572093465.db2.gz MNMFRSMLSMUNAH-SECBINFHSA-N 1 0 191.265 2.812 10 0 AFAERO CC(C)(C)CCCOC[C@@H]1CCC[NH2+]1 300934828 572093478 /nfs/dbraw/zinc/09/34/78/572093478.db2.gz VJDNRAJEYDTNBF-NSHDSACASA-N 1 0 199.338 2.581 10 0 AFAERO CCC[N@H+](C)Cc1ccc(Cl)nc1 37098377 572093710 /nfs/dbraw/zinc/09/37/10/572093710.db2.gz MDGMODZVXWIVDU-UHFFFAOYSA-N 1 0 198.697 2.577 10 0 AFAERO CCCN(C)c1ccccc1[C@H](C)[NH3+] 37098544 572094242 /nfs/dbraw/zinc/09/42/42/572094242.db2.gz AANKVULROQMLJL-JTQLQIEISA-N 1 0 192.306 2.553 10 0 AFAERO C[C@H]1C[C@@H]1c1ccc(/C=C\CC[NH3+])o1 214922442 572094638 /nfs/dbraw/zinc/09/46/38/572094638.db2.gz PRORSQBBBHHLIB-KRLGMUBSSA-N 1 0 191.274 2.765 10 0 AFAERO [NH3+]CC/C=C(/c1cccs1)C1CC1 214919983 572094843 /nfs/dbraw/zinc/09/48/43/572094843.db2.gz FHGRXHLXOZPYTP-XCVCLJGOSA-N 1 0 193.315 2.890 10 0 AFAERO CC[NH2+]CC(C)(C)CCC(F)(F)F 317247172 572095286 /nfs/dbraw/zinc/09/52/86/572095286.db2.gz FSUKHFDLMXVECZ-UHFFFAOYSA-N 1 0 197.244 2.965 10 0 AFAERO C/C(=C/CC[NH3+])CCC(C)C 214919829 572095299 /nfs/dbraw/zinc/09/52/99/572095299.db2.gz DBIFLZBEWRRJNL-YHYXMXQVSA-N 1 0 155.285 2.718 10 0 AFAERO CCCN(C)c1ccccc1[C@@H](C)[NH3+] 37098543 572095250 /nfs/dbraw/zinc/09/52/50/572095250.db2.gz AANKVULROQMLJL-SNVBAGLBSA-N 1 0 192.306 2.553 10 0 AFAERO CCCCCO[C@@H]1CCCCC[C@H]1[NH3+] 37114190 572095619 /nfs/dbraw/zinc/09/56/19/572095619.db2.gz VTQNUWQAWMHPBD-VXGBXAGGSA-N 1 0 199.338 2.853 10 0 AFAERO CC[C@@](F)(C[NH3+])C1=CCCCC1 234041258 572095632 /nfs/dbraw/zinc/09/56/32/572095632.db2.gz PXWFPXIJWDNAIF-SNVBAGLBSA-N 1 0 171.259 2.564 10 0 AFAERO COC(C)(C)[C@@H](C)[NH2+][C@@H](C)C1CCC1 300933434 572095663 /nfs/dbraw/zinc/09/56/63/572095663.db2.gz FTSGCVZZWJQEAR-VHSXEESVSA-N 1 0 199.338 2.578 10 0 AFAERO COC(C)(C)[C@H](C)[NH2+][C@@H](C)C1CCC1 300933430 572095884 /nfs/dbraw/zinc/09/58/84/572095884.db2.gz FTSGCVZZWJQEAR-UWVGGRQHSA-N 1 0 199.338 2.578 10 0 AFAERO CCCCCO[C@H]1CCCCC[C@H]1[NH3+] 37114191 572096045 /nfs/dbraw/zinc/09/60/45/572096045.db2.gz VTQNUWQAWMHPBD-NEPJUHHUSA-N 1 0 199.338 2.853 10 0 AFAERO CCCCCOC[C@@H]([NH3+])C(C)(C)C 37114181 572096070 /nfs/dbraw/zinc/09/60/70/572096070.db2.gz BTFMUVZORTXRIO-SNVBAGLBSA-N 1 0 187.327 2.567 10 0 AFAERO CCCCCO[C@@H]1C[C@@H](C)CC[C@@H]1[NH3+] 37114194 572096109 /nfs/dbraw/zinc/09/61/09/572096109.db2.gz BIGKTHBJHLHLAE-SDDRHHMPSA-N 1 0 199.338 2.709 10 0 AFAERO C[C@@H]1CCC[C@]2(C)CCC[NH2+][C@@H]12 34581476 572096385 /nfs/dbraw/zinc/09/63/85/572096385.db2.gz BTPOLUWKTPUDBR-OUAUKWLOSA-N 1 0 167.296 2.565 10 0 AFAERO CCCCCO[C@@H]1C[C@H](C)CC[C@@H]1[NH3+] 37114192 572096428 /nfs/dbraw/zinc/09/64/28/572096428.db2.gz BIGKTHBJHLHLAE-GRYCIOLGSA-N 1 0 199.338 2.709 10 0 AFAERO COC(C)(C)[C@H](C)[NH2+][C@H](C)C1CCC1 300933437 572096556 /nfs/dbraw/zinc/09/65/56/572096556.db2.gz FTSGCVZZWJQEAR-ZJUUUORDSA-N 1 0 199.338 2.578 10 0 AFAERO CCCCCO[C@@H]1CCCCC[C@@H]1[NH3+] 37114188 572097334 /nfs/dbraw/zinc/09/73/34/572097334.db2.gz VTQNUWQAWMHPBD-NWDGAFQWSA-N 1 0 199.338 2.853 10 0 AFAERO C/C(=C\CC[NH3+])c1cc(C)oc1C 214925910 572097516 /nfs/dbraw/zinc/09/75/16/572097516.db2.gz UBHUTFIHYBAWEU-VMPITWQZSA-N 1 0 179.263 2.649 10 0 AFAERO CSc1ccc([C@H](C)[NH3+])cc1C 34596026 572097585 /nfs/dbraw/zinc/09/75/85/572097585.db2.gz FOQMXFHLKSHQQD-QMMMGPOBSA-N 1 0 181.304 2.737 10 0 AFAERO CCCCCO[C@H]1CCCCC[C@@H]1[NH3+] 37114189 572097711 /nfs/dbraw/zinc/09/77/11/572097711.db2.gz VTQNUWQAWMHPBD-RYUDHWBXSA-N 1 0 199.338 2.853 10 0 AFAERO CCCCCOC[C@H]([NH3+])C(C)(C)C 37114180 572097804 /nfs/dbraw/zinc/09/78/04/572097804.db2.gz BTFMUVZORTXRIO-JTQLQIEISA-N 1 0 187.327 2.567 10 0 AFAERO CCS[C@H](C[NH3+])c1cccs1 43113647 572098005 /nfs/dbraw/zinc/09/80/05/572098005.db2.gz LGDBRLLBPWMYSU-MRVPVSSYSA-N 1 0 187.333 2.501 10 0 AFAERO CC[C@H]([NH2+]C)C1(C)CCCCC1 234045281 572098015 /nfs/dbraw/zinc/09/80/15/572098015.db2.gz FAKREOJHWZPRTN-JTQLQIEISA-N 1 0 169.312 2.955 10 0 AFAERO CSc1ccc([C@@H](C)[NH3+])cc1C 34596025 572098029 /nfs/dbraw/zinc/09/80/29/572098029.db2.gz FOQMXFHLKSHQQD-MRVPVSSYSA-N 1 0 181.304 2.737 10 0 AFAERO C[NH2+]C[C@H](C)CCc1ccc(C)cc1 82763466 572099718 /nfs/dbraw/zinc/09/97/18/572099718.db2.gz JZVAKTOSQFFPDC-GFCCVEGCSA-N 1 0 191.318 2.783 10 0 AFAERO C[NH2+]C[C@H](C)CCc1ccccc1F 82763425 572100439 /nfs/dbraw/zinc/10/04/39/572100439.db2.gz RRPKXJPREAMNOA-SNVBAGLBSA-N 1 0 195.281 2.614 10 0 AFAERO CCCC[C@@H](C)[C@@H]([NH3+])COC(C)C 300936539 572099534 /nfs/dbraw/zinc/09/95/34/572099534.db2.gz NFMJLVOLFOLSOP-MNOVXSKESA-N 1 0 187.327 2.565 10 0 AFAERO C[C@@H](C[NH3+])CCCC(C)(C)C 82763023 572099612 /nfs/dbraw/zinc/09/96/12/572099612.db2.gz OPHBHZOTXYFWGU-SECBINFHSA-N 1 0 157.301 2.798 10 0 AFAERO C[NH2+]C[C@H](C)CCc1cccc(C)c1 82763398 572099651 /nfs/dbraw/zinc/09/96/51/572099651.db2.gz BDYHQJLDNUFIGY-GFCCVEGCSA-N 1 0 191.318 2.783 10 0 AFAERO C[NH2+]C[C@H](C)Cc1ccc(F)c(C)c1 82763442 572099659 /nfs/dbraw/zinc/09/96/59/572099659.db2.gz WRQKQYLXFYQFHO-SECBINFHSA-N 1 0 195.281 2.532 10 0 AFAERO C[NH2+]C[C@@H](C)CCc1ccccc1F 82763424 572099669 /nfs/dbraw/zinc/09/96/69/572099669.db2.gz RRPKXJPREAMNOA-JTQLQIEISA-N 1 0 195.281 2.614 10 0 AFAERO C[C@@H](C[NH3+])C[C@@H]1CCC[C@@H](C)C1 82763148 572099685 /nfs/dbraw/zinc/09/96/85/572099685.db2.gz JIYFRGFVRHJXNU-GMTAPVOTSA-N 1 0 169.312 2.798 10 0 AFAERO CC[NH2+]C[C@H](C)CC(C)(C)C 82763517 572099703 /nfs/dbraw/zinc/09/97/03/572099703.db2.gz DOVWUODIXQHWIM-SECBINFHSA-N 1 0 157.301 2.668 10 0 AFAERO C[NH2+]C[C@H](C)CCc1cccc(F)c1 82763205 572100452 /nfs/dbraw/zinc/10/04/52/572100452.db2.gz UMSJTVZUSJDQOG-SNVBAGLBSA-N 1 0 195.281 2.614 10 0 AFAERO C[NH2+]C[C@@H](C)CCc1ccc(C)cc1 82763467 572099819 /nfs/dbraw/zinc/09/98/19/572099819.db2.gz JZVAKTOSQFFPDC-LBPRGKRZSA-N 1 0 191.318 2.783 10 0 AFAERO C[NH2+]C[C@H](C)CCCc1ccsc1 82763221 572099823 /nfs/dbraw/zinc/09/98/23/572099823.db2.gz ZDHOHQDHTXYXFF-SNVBAGLBSA-N 1 0 197.347 2.926 10 0 AFAERO C[NH2+]C[C@@H](C)Cc1cccc(C)c1C 82763283 572099855 /nfs/dbraw/zinc/09/98/55/572099855.db2.gz OYCDEAAADRYOHM-JTQLQIEISA-N 1 0 191.318 2.701 10 0 AFAERO CCC[C@@H](C)CC[C@H](C)C[NH3+] 82763040 572099912 /nfs/dbraw/zinc/09/99/12/572099912.db2.gz PWHFZQHFHQWOEC-ZJUUUORDSA-N 1 0 157.301 2.798 10 0 AFAERO C[NH2+]C[C@@H](C)CCc1ccccc1C 82763361 572099924 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157.301 2.667 10 0 AFAERO C[C@H]([NH3+])C[C@@H](C)Cc1ccccc1 82807716 572122833 /nfs/dbraw/zinc/12/28/33/572122833.db2.gz KEYOCGZKZMGAAH-MNOVXSKESA-N 1 0 177.291 2.603 10 0 AFAERO CCCCC[C@H](C)C[C@H](C)[NH3+] 82807876 572122835 /nfs/dbraw/zinc/12/28/35/572122835.db2.gz PIKKBZMLXLBGCM-UWVGGRQHSA-N 1 0 157.301 2.940 10 0 AFAERO C[C@H]([NH3+])C[C@H](C)Cc1ccccc1 82807717 572122845 /nfs/dbraw/zinc/12/28/45/572122845.db2.gz KEYOCGZKZMGAAH-QWRGUYRKSA-N 1 0 177.291 2.603 10 0 AFAERO COc1ccc([C@H](C)C[C@H](C)[NH3+])cc1 82807743 572122846 /nfs/dbraw/zinc/12/28/46/572122846.db2.gz LGHYTZDLJBJGJY-ZJUUUORDSA-N 1 0 193.290 2.536 10 0 AFAERO Cc1cccc(C[C@@H](C)C[C@@H](C)[NH3+])c1 82808339 572122866 /nfs/dbraw/zinc/12/28/66/572122866.db2.gz USFPVGNYQRZLPX-NWDGAFQWSA-N 1 0 191.318 2.911 10 0 AFAERO CC(C)CC[C@@H](C)C[C@@H](C)[NH3+] 82807513 572122870 /nfs/dbraw/zinc/12/28/70/572122870.db2.gz COTTWHOXFLHGSB-NXEZZACHSA-N 1 0 157.301 2.796 10 0 AFAERO C[NH2+][C@@H](C)C[C@H](C)c1ccccc1 82809138 572123418 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199.338 2.580 10 0 AFAERO C[C@@H]1CC([C@@H]2CCC[NH2+]2)C[C@@H](C)C1 82833902 572132597 /nfs/dbraw/zinc/13/25/97/572132597.db2.gz HXQYVXONYKNSKY-NHCYSSNCSA-N 1 0 181.323 2.811 10 0 AFAERO CCn1cc[nH+]c1N[C@@H](C)CC1CC1 69667266 572132605 /nfs/dbraw/zinc/13/26/05/572132605.db2.gz DUESFHJUCJEAEZ-VIFPVBQESA-N 1 0 193.294 2.504 10 0 AFAERO CC(C)[NH2+][C@H]1CC[C@H](C)[C@@H](C)C1 82835715 572132657 /nfs/dbraw/zinc/13/26/57/572132657.db2.gz QNIMQKHXTFMNOI-DCAQKATOSA-N 1 0 169.312 2.809 10 0 AFAERO CC[C@@H](CC1CC1)[NH2+]CC(C)C 69670928 572132676 /nfs/dbraw/zinc/13/26/76/572132676.db2.gz BDYRHVDPSVGCAQ-NSHDSACASA-N 1 0 169.312 2.811 10 0 AFAERO CCC[C@@H](C)[C@H](F)C1CC[NH2+]CC1 300350185 572132724 /nfs/dbraw/zinc/13/27/24/572132724.db2.gz UEABOYXLHJPQRT-KOLCDFICSA-N 1 0 187.302 2.760 10 0 AFAERO CC[C@H](CC1CC1)[NH2+]CCOC(C)C 69672339 572132751 /nfs/dbraw/zinc/13/27/51/572132751.db2.gz FBEJOWFFAVHLIE-GFCCVEGCSA-N 1 0 199.338 2.580 10 0 AFAERO CC[C@@H](Cc1cccc(C)c1)[NH2+]C 37468598 572132757 /nfs/dbraw/zinc/13/27/57/572132757.db2.gz MNVDKRLRNDNUEV-LBPRGKRZSA-N 1 0 177.291 2.536 10 0 AFAERO CC[C@@H](CC1CC1)[NH2+]CCOC(C)C 69672337 572132760 /nfs/dbraw/zinc/13/27/60/572132760.db2.gz FBEJOWFFAVHLIE-LBPRGKRZSA-N 1 0 199.338 2.580 10 0 AFAERO C[NH2+][C@H](Cc1ccccc1F)C(C)C 37468279 572132766 /nfs/dbraw/zinc/13/27/66/572132766.db2.gz AMVNUAAIRCBYRN-GFCCVEGCSA-N 1 0 195.281 2.612 10 0 AFAERO CCC[NH2+][C@H](C[C@@H]1CCCO1)C(C)C 37468107 572134963 /nfs/dbraw/zinc/13/49/63/572134963.db2.gz ITPUSAWMANTYNS-NWDGAFQWSA-N 1 0 199.338 2.580 10 0 AFAERO CCC[C@@H](C)[C@H](CCSC)[NH2+]C 300349882 572132814 /nfs/dbraw/zinc/13/28/14/572132814.db2.gz SMRNDFROSGFAFP-ZJUUUORDSA-N 1 0 189.368 2.764 10 0 AFAERO CC[C@@H](CC1CC1)[NH2+]C(C)C 69671728 572132820 /nfs/dbraw/zinc/13/28/20/572132820.db2.gz SFKIFVWBNOOVDN-JTQLQIEISA-N 1 0 155.285 2.563 10 0 AFAERO C[C@H]1CC(OCCCC[NH3+])C[C@H](C)C1 82834283 572132849 /nfs/dbraw/zinc/13/28/49/572132849.db2.gz WVYPRYYNCRJWKF-GHMZBOCLSA-N 1 0 199.338 2.567 10 0 AFAERO CC[C@@H]1C[C@@H]1[NH2+][C@H](C)C1(C)CC1 300360298 572132851 /nfs/dbraw/zinc/13/28/51/572132851.db2.gz WSIKUSNVVHUIDR-BBBLOLIVSA-N 1 0 167.296 2.563 10 0 AFAERO CCC[C@@H]([NH2+]CC)c1ccncc1 37467656 572132855 /nfs/dbraw/zinc/13/28/55/572132855.db2.gz MPHGWJDYWCXCAA-LLVKDONJSA-N 1 0 178.279 2.532 10 0 AFAERO CC(C)OCCC[NH2+][C@@H](C)C1(C)CC1 37468494 572132894 /nfs/dbraw/zinc/13/28/94/572132894.db2.gz XZRMUEBERKBGJT-NSHDSACASA-N 1 0 199.338 2.580 10 0 AFAERO CC(C)OCCC[NH2+][C@H](C)C1(C)CC1 37468496 572132902 /nfs/dbraw/zinc/13/29/02/572132902.db2.gz XZRMUEBERKBGJT-LLVKDONJSA-N 1 0 199.338 2.580 10 0 AFAERO CCC[C@@H](C)[C@H]([NH3+])COC(C)(C)C 300349833 572132904 /nfs/dbraw/zinc/13/29/04/572132904.db2.gz SDARCJZXHUJYRE-NXEZZACHSA-N 1 0 187.327 2.565 10 0 AFAERO CC[C@@H]1C[C@@H]1[NH2+][C@H](C)c1ccncc1 300360367 572132907 /nfs/dbraw/zinc/13/29/07/572132907.db2.gz XPGCCBNFJHXUCV-FOGDFJRCSA-N 1 0 190.290 2.531 10 0 AFAERO Cc1cccc(C[C@@H]([NH3+])CC(C)C)c1 37466845 572132914 /nfs/dbraw/zinc/13/29/14/572132914.db2.gz FYGUIFQXSZCBSZ-ZDUSSCGKSA-N 1 0 191.318 2.911 10 0 AFAERO CC[NH2+][C@H](CC(C)C)c1cccnc1 37467579 572132918 /nfs/dbraw/zinc/13/29/18/572132918.db2.gz ZNCDARFJMYMJGZ-GFCCVEGCSA-N 1 0 192.306 2.778 10 0 AFAERO CC[NH2+][C@H](CC(C)C)c1ccncc1 37467664 572132933 /nfs/dbraw/zinc/13/29/33/572132933.db2.gz GQKFXRKZSBZFSH-GFCCVEGCSA-N 1 0 192.306 2.778 10 0 AFAERO CC[NH2+][C@@H](CC)Cc1ccc(F)cc1 37467896 572132945 /nfs/dbraw/zinc/13/29/45/572132945.db2.gz CCGJHNXREFILBN-LBPRGKRZSA-N 1 0 195.281 2.756 10 0 AFAERO CC[C@@H]([NH2+][C@@H]1C[C@H]1CC)C(C)C 300360093 572132958 /nfs/dbraw/zinc/13/29/58/572132958.db2.gz TTWDIYDGJPFVJJ-GMTAPVOTSA-N 1 0 169.312 2.809 10 0 AFAERO C[C@H]1CCc2c(Cl)cccc2[C@H]1[NH3+] 71489242 572132972 /nfs/dbraw/zinc/13/29/72/572132972.db2.gz YJFXFTOQLKHMDG-CPCISQLKSA-N 1 0 195.693 2.922 10 0 AFAERO CC[C@H](C[NH3+])OC1C[C@@H](C)C[C@@H](C)C1 82834288 572132985 /nfs/dbraw/zinc/13/29/85/572132985.db2.gz WPRBVPRCAZRXHI-FBTJUVTCSA-N 1 0 199.338 2.565 10 0 AFAERO CC[NH2+]CC1C[C@@H](C)C[C@@H](C)C1 82833578 572133000 /nfs/dbraw/zinc/13/30/00/572133000.db2.gz RVRIAVXODCQHIQ-ZACCUICWSA-N 1 0 169.312 2.668 10 0 AFAERO CC(C)[NH2+][C@H]1CC[C@@H](C)[C@@H](C)C1 82835714 572133030 /nfs/dbraw/zinc/13/30/30/572133030.db2.gz QNIMQKHXTFMNOI-VWYCJHECSA-N 1 0 169.312 2.809 10 0 AFAERO CC[C@@H](Cc1ccccc1C)[NH2+]C 37468603 572133037 /nfs/dbraw/zinc/13/30/37/572133037.db2.gz QRUBLVYRKKLYND-LBPRGKRZSA-N 1 0 177.291 2.536 10 0 AFAERO CC[NH2+][C@@H](CC(C)C)c1ccncc1 37467662 572133042 /nfs/dbraw/zinc/13/30/42/572133042.db2.gz GQKFXRKZSBZFSH-LBPRGKRZSA-N 1 0 192.306 2.778 10 0 AFAERO CCC[NH2+][C@H](CC)c1cccnc1 37467583 572133047 /nfs/dbraw/zinc/13/30/47/572133047.db2.gz JKAFVEFUSRMVKH-LLVKDONJSA-N 1 0 178.279 2.532 10 0 AFAERO C[C@@H]1CC([C@@H]2CCC[NH2+]2)C[C@H](C)C1 82833901 572133057 /nfs/dbraw/zinc/13/30/57/572133057.db2.gz HXQYVXONYKNSKY-MBYGNEARSA-N 1 0 181.323 2.811 10 0 AFAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CCS[C@H]1C 300360643 572133058 /nfs/dbraw/zinc/13/30/58/572133058.db2.gz XJUVFLGTTLLXPH-ZDCRXTMVSA-N 1 0 199.363 2.659 10 0 AFAERO CCC[NH2+][C@@H](C[C@@H]1CCCO1)C(C)C 37468105 572133108 /nfs/dbraw/zinc/13/31/08/572133108.db2.gz ITPUSAWMANTYNS-RYUDHWBXSA-N 1 0 199.338 2.580 10 0 AFAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CCS[C@H]1C 300360642 572133114 /nfs/dbraw/zinc/13/31/14/572133114.db2.gz XJUVFLGTTLLXPH-VLEAKVRGSA-N 1 0 199.363 2.659 10 0 AFAERO C[C@@H]1CC(OC(C)(C)C[NH3+])C[C@H](C)C1 82834644 572133118 /nfs/dbraw/zinc/13/31/18/572133118.db2.gz OJQRWUWSLRTNHI-ZACCUICWSA-N 1 0 199.338 2.565 10 0 AFAERO C[C@H](CC1CC1)NC(=[NH2+])C(C)(C)C 69674335 572133691 /nfs/dbraw/zinc/13/36/91/572133691.db2.gz QYISOBVKHGPQBJ-MRVPVSSYSA-N 1 0 182.311 2.788 10 0 AFAERO CCC[C@H](C)O[C@]1(C[NH3+])CC[C@H](C)C1 300350677 572136277 /nfs/dbraw/zinc/13/62/77/572136277.db2.gz XKHFVOQPFFLDRI-SDDRHHMPSA-N 1 0 199.338 2.709 10 0 AFAERO C[C@H]([NH2+]Cc1ccco1)C1(C)CC1 37467480 572133149 /nfs/dbraw/zinc/13/31/49/572133149.db2.gz DIGVQLUYENHXIX-VIFPVBQESA-N 1 0 179.263 2.558 10 0 AFAERO C[C@@H]1CCc2c(Cl)cccc2[C@H]1[NH3+] 71489240 572133153 /nfs/dbraw/zinc/13/31/53/572133153.db2.gz YJFXFTOQLKHMDG-HQJQHLMTSA-N 1 0 195.693 2.922 10 0 AFAERO CCC[C@H](C)[C@@H](F)[C@H]1CCCC[NH2+]1 300350115 572133158 /nfs/dbraw/zinc/13/31/58/572133158.db2.gz TXUFMHFEXKILPO-HBNTYKKESA-N 1 0 187.302 2.903 10 0 AFAERO CC[C@@H]([NH3+])COC1C[C@@H](C)C[C@@H](C)C1 82834324 572133160 /nfs/dbraw/zinc/13/31/60/572133160.db2.gz XORQJYWCTNOIHM-FBTJUVTCSA-N 1 0 199.338 2.565 10 0 AFAERO CC[C@H](Cc1cccc(C)c1)[NH2+]C 37468600 572133184 /nfs/dbraw/zinc/13/31/84/572133184.db2.gz MNVDKRLRNDNUEV-GFCCVEGCSA-N 1 0 177.291 2.536 10 0 AFAERO CC[NH2+][C@H](C(C)C)C1CCCC1 37468305 572133224 /nfs/dbraw/zinc/13/32/24/572133224.db2.gz YCUNICYUPPASPK-LLVKDONJSA-N 1 0 169.312 2.811 10 0 AFAERO CC[C@H](C[NH3+])OC1C[C@@H](C)C[C@H](C)C1 82834290 572133239 /nfs/dbraw/zinc/13/32/39/572133239.db2.gz WPRBVPRCAZRXHI-GARJFASQSA-N 1 0 199.338 2.565 10 0 AFAERO CC[C@@H](CC1CC1)NC(=[NH2+])C1CC1 69674383 572133247 /nfs/dbraw/zinc/13/32/47/572133247.db2.gz OTAQXCRYYVGMJQ-JTQLQIEISA-N 1 0 180.295 2.542 10 0 AFAERO CCC(C)(C)C[C@@]1([NH3+])CCCOCC1 713219677 572133249 /nfs/dbraw/zinc/13/32/49/572133249.db2.gz JRXRLBLYBRFPDY-GFCCVEGCSA-N 1 0 199.338 2.711 10 0 AFAERO CCC[C@H](C)[C@@H]([NH2+]C)[C@H]1CCCCO1 300350309 572133263 /nfs/dbraw/zinc/13/32/63/572133263.db2.gz UVVWSYFIJUJIRO-QJPTWQEYSA-N 1 0 199.338 2.580 10 0 AFAERO CC[C@@H]1C[C@@H]1[NH2+][C@H](C)CC1CCC1 300360448 572133301 /nfs/dbraw/zinc/13/33/01/572133301.db2.gz YTRMEZSVECOSGD-JLLWLGSASA-N 1 0 181.323 2.953 10 0 AFAERO Cc1ccc(Nc2[nH]cc(C)[nH+]2)cc1 235870832 572133306 /nfs/dbraw/zinc/13/33/06/572133306.db2.gz GVWJTCIERIYIOA-UHFFFAOYSA-N 1 0 187.246 2.770 10 0 AFAERO CCCC[NH2+][C@H](C)C1(C)CC1 37467711 572133398 /nfs/dbraw/zinc/13/33/98/572133398.db2.gz HAFUYWXCWAKHOZ-SECBINFHSA-N 1 0 155.285 2.565 10 0 AFAERO CCC[NH2+][C@@H](CCC)C[C@H]1CCCO1 37468117 572133409 /nfs/dbraw/zinc/13/34/09/572133409.db2.gz INMIHFCGLRVKCL-NWDGAFQWSA-N 1 0 199.338 2.724 10 0 AFAERO CCC[NH2+][C@H](CC(C)C)C1CC1 37468991 572136539 /nfs/dbraw/zinc/13/65/39/572136539.db2.gz OCGSXVAULFTYPI-LLVKDONJSA-N 1 0 169.312 2.811 10 0 AFAERO CCC[NH2+][C@H](CCC)C[C@@H]1CCCO1 37468115 572133419 /nfs/dbraw/zinc/13/34/19/572133419.db2.gz INMIHFCGLRVKCL-NEPJUHHUSA-N 1 0 199.338 2.724 10 0 AFAERO C[NH2+][C@H](C)C1C[C@@H](C)C[C@@H](C)C1 82833453 572133475 /nfs/dbraw/zinc/13/34/75/572133475.db2.gz AYEMIXATZBZADT-GZBOUJLJSA-N 1 0 169.312 2.667 10 0 AFAERO C[C@@H]([NH2+]C(C1CC1)C1CC1)C1(C)CC1 37468248 572133476 /nfs/dbraw/zinc/13/34/76/572133476.db2.gz UIEJFDUHMSFRJN-SECBINFHSA-N 1 0 193.334 2.953 10 0 AFAERO CC[NH2+][C@H](CC(C)C)C[C@@H]1CCCO1 37468081 572133510 /nfs/dbraw/zinc/13/35/10/572133510.db2.gz YVHUKNOUUUIRQY-NEPJUHHUSA-N 1 0 199.338 2.580 10 0 AFAERO CCC[NH2+][C@H](c1ccncc1)C(C)C 37467672 572133547 /nfs/dbraw/zinc/13/35/47/572133547.db2.gz PIABWAHQPMENBP-LBPRGKRZSA-N 1 0 192.306 2.778 10 0 AFAERO CC[NH2+][C@H](CC(C)C)C(C)C 37468191 572133561 /nfs/dbraw/zinc/13/35/61/572133561.db2.gz DUPLXRBKXXZTTM-SNVBAGLBSA-N 1 0 157.301 2.667 10 0 AFAERO C[NH2+]CCC1C[C@@H](C)C[C@@H](C)C1 82833781 572133565 /nfs/dbraw/zinc/13/35/65/572133565.db2.gz BWPZNJXUZUNLRH-ZACCUICWSA-N 1 0 169.312 2.668 10 0 AFAERO C[C@@H](CC1CC1)NC(=[NH2+])C1CCCC1 69674292 572133567 /nfs/dbraw/zinc/13/35/67/572133567.db2.gz WISMGAYSRKYLQT-VIFPVBQESA-N 1 0 194.322 2.932 10 0 AFAERO CCC[C@H](C)C[NH2+][C@@H]1C[C@H]1CC 300360105 572133576 /nfs/dbraw/zinc/13/35/76/572133576.db2.gz TXWDZGGBKWZVQK-HBNTYKKESA-N 1 0 169.312 2.811 10 0 AFAERO CCc1ccc2c(c1)[C@H]([NH3+])[C@H](C)CC2 71489127 572133587 /nfs/dbraw/zinc/13/35/87/572133587.db2.gz CZLGXJXPOWOHKZ-NOZJJQNGSA-N 1 0 189.302 2.831 10 0 AFAERO CC[C@@H]1C[C@H]1[NH2+][C@H](C)CC(C)(C)OC 300359480 572133604 /nfs/dbraw/zinc/13/36/04/572133604.db2.gz OXSVNDFUVZNRPI-GMTAPVOTSA-N 1 0 199.338 2.578 10 0 AFAERO CCCC(=[NH2+])N[C@@H](CC)CC1CC1 69674338 572133606 /nfs/dbraw/zinc/13/36/06/572133606.db2.gz GLLAXZZBZRIPIM-JTQLQIEISA-N 1 0 182.311 2.932 10 0 AFAERO CC[C@H]1C[C@H]1[NH2+][C@H]1CCC[C@H]1CC 300359883 572133622 /nfs/dbraw/zinc/13/36/22/572133622.db2.gz RMICFNVCFGZDFC-NOOOWODRSA-N 1 0 181.323 2.953 10 0 AFAERO C[NH2+][C@@H](Cc1ccccc1)C(C)(C)C 37469023 572136619 /nfs/dbraw/zinc/13/66/19/572136619.db2.gz ZUJGZSSTVDDIHL-LBPRGKRZSA-N 1 0 191.318 2.863 10 0 AFAERO C[C@H](CC1CC1)NC(=[NH2+])C1CCCC1 69674295 572133632 /nfs/dbraw/zinc/13/36/32/572133632.db2.gz WISMGAYSRKYLQT-SECBINFHSA-N 1 0 194.322 2.932 10 0 AFAERO CCCC[NH2+][C@@H](C)C1(C)CC1 37467709 572133649 /nfs/dbraw/zinc/13/36/49/572133649.db2.gz HAFUYWXCWAKHOZ-VIFPVBQESA-N 1 0 155.285 2.565 10 0 AFAERO CCC[C@H](C)[C@H]([NH3+])[C@H]1C[C@@H]2C[C@@H]2C1 300350266 572133652 /nfs/dbraw/zinc/13/36/52/572133652.db2.gz UQXNUTUNBMGIGS-SVNGYHJRSA-N 1 0 181.323 2.796 10 0 AFAERO CCC[NH2+][C@H](CC)CC(C)C 37468231 572133656 /nfs/dbraw/zinc/13/36/56/572133656.db2.gz KNGURPNJRFTKQX-SNVBAGLBSA-N 1 0 157.301 2.811 10 0 AFAERO CCC[C@H](C)[NH2+][C@H](C)C1(C)CC1 37467612 572133667 /nfs/dbraw/zinc/13/36/67/572133667.db2.gz IGCPOCANMCNLSB-VHSXEESVSA-N 1 0 169.312 2.953 10 0 AFAERO C[C@@H]1CC(NC(=[NH2+])C2CC2)C[C@H](C)C1 82835616 572133715 /nfs/dbraw/zinc/13/37/15/572133715.db2.gz USJGEFPUJZRZQW-SLHIUPAKSA-N 1 0 194.322 2.788 10 0 AFAERO CCCC(=[NH2+])N[C@H](C)CC1CC1 69674289 572133717 /nfs/dbraw/zinc/13/37/17/572133717.db2.gz GQRFWQVOUGWRDO-MRVPVSSYSA-N 1 0 168.284 2.542 10 0 AFAERO C[NH2+][C@H](Cc1ccccc1)CC(C)C 37467374 572133757 /nfs/dbraw/zinc/13/37/57/572133757.db2.gz AEUWKJBUKPYHHO-ZDUSSCGKSA-N 1 0 191.318 2.863 10 0 AFAERO CCC[C@@H](C)[NH2+][C@@H](C)C1(C)CC1 37467606 572133761 /nfs/dbraw/zinc/13/37/61/572133761.db2.gz IGCPOCANMCNLSB-ZJUUUORDSA-N 1 0 169.312 2.953 10 0 AFAERO CCCCC[NH2+][C@H](C)C1(C)CC1 37467588 572133774 /nfs/dbraw/zinc/13/37/74/572133774.db2.gz YJZMDMPSDOUEGA-SNVBAGLBSA-N 1 0 169.312 2.955 10 0 AFAERO CCCC(=[NH2+])N[C@H](CC)CC1CC1 69674341 572133786 /nfs/dbraw/zinc/13/37/86/572133786.db2.gz GLLAXZZBZRIPIM-SNVBAGLBSA-N 1 0 182.311 2.932 10 0 AFAERO CC(C)CC[NH2+][C@@H](C)C1(C)CC1 37467768 572133787 /nfs/dbraw/zinc/13/37/87/572133787.db2.gz HVTKDAQWJDHSJG-JTQLQIEISA-N 1 0 169.312 2.811 10 0 AFAERO CCC(=[NH2+])N[C@H](CC)CC1CC1 69674370 572133802 /nfs/dbraw/zinc/13/38/02/572133802.db2.gz UZRHHTLKQPHKMY-SECBINFHSA-N 1 0 168.284 2.542 10 0 AFAERO C[C@@H]1CC(OCCCC[NH3+])C[C@H](C)C1 82834281 572133807 /nfs/dbraw/zinc/13/38/07/572133807.db2.gz WVYPRYYNCRJWKF-FOSCPWQOSA-N 1 0 199.338 2.567 10 0 AFAERO CCC[NH2+][C@H](CC)c1ccccn1 37467506 572133809 /nfs/dbraw/zinc/13/38/09/572133809.db2.gz FCAYHNKKJKVCGE-SNVBAGLBSA-N 1 0 178.279 2.532 10 0 AFAERO CCC[NH2+][C@@H](c1ccncc1)C(C)C 37467670 572133811 /nfs/dbraw/zinc/13/38/11/572133811.db2.gz PIABWAHQPMENBP-GFCCVEGCSA-N 1 0 192.306 2.778 10 0 AFAERO CCC(=[NH2+])NC1C[C@@H](C)C[C@@H](C)C1 82835604 572133821 /nfs/dbraw/zinc/13/38/21/572133821.db2.gz JUJALDQHFZBRON-ULKQDVFKSA-N 1 0 182.311 2.788 10 0 AFAERO CC[NH2+][C@@H](CC)Cc1cccc(C)c1 37468632 572133828 /nfs/dbraw/zinc/13/38/28/572133828.db2.gz LXAUILQYZDIIAK-ZDUSSCGKSA-N 1 0 191.318 2.926 10 0 AFAERO CCc1ccc2c(c1)[C@@H]([NH3+])[C@@H](C)CC2 71489134 572133848 /nfs/dbraw/zinc/13/38/48/572133848.db2.gz CZLGXJXPOWOHKZ-ZANVPECISA-N 1 0 189.302 2.831 10 0 AFAERO CCC[C@H]([NH2+]CC)c1ccccn1 37467491 572133865 /nfs/dbraw/zinc/13/38/65/572133865.db2.gz JCTDJSJRMPKGSI-JTQLQIEISA-N 1 0 178.279 2.532 10 0 AFAERO CC[NH2+][C@@H](CC(C)C)c1cccnc1 37467577 572133888 /nfs/dbraw/zinc/13/38/88/572133888.db2.gz ZNCDARFJMYMJGZ-LBPRGKRZSA-N 1 0 192.306 2.778 10 0 AFAERO C[C@@H](CC1CC1)NC(=[NH2+])C(C)(C)C 69674333 572133900 /nfs/dbraw/zinc/13/39/00/572133900.db2.gz QYISOBVKHGPQBJ-QMMMGPOBSA-N 1 0 182.311 2.788 10 0 AFAERO CC[NH2+][C@@H](C(C)C)C1CCCC1 37468307 572133904 /nfs/dbraw/zinc/13/39/04/572133904.db2.gz YCUNICYUPPASPK-NSHDSACASA-N 1 0 169.312 2.811 10 0 AFAERO CCC[C@H](C)[C@@H]1CC[C@H]1C[NH2+]C 300350408 572133944 /nfs/dbraw/zinc/13/39/44/572133944.db2.gz VOEXEQLIRLWOQU-DCAQKATOSA-N 1 0 169.312 2.668 10 0 AFAERO CCC[NH2+][C@H](C)Cc1ccc(C)cc1 37468708 572133949 /nfs/dbraw/zinc/13/39/49/572133949.db2.gz LSBSAWZLVFDNQF-GFCCVEGCSA-N 1 0 191.318 2.926 10 0 AFAERO CC[NH2+][C@@H](CC(C)C)C[C@H]1CCCO1 37468087 572133958 /nfs/dbraw/zinc/13/39/58/572133958.db2.gz YVHUKNOUUUIRQY-NWDGAFQWSA-N 1 0 199.338 2.580 10 0 AFAERO CC[C@@H]1C[C@@H]1[NH2+][C@H](C)C1CCCC1 300359743 572133963 /nfs/dbraw/zinc/13/39/63/572133963.db2.gz QWFYUIONDSNFQQ-FOGDFJRCSA-N 1 0 181.323 2.953 10 0 AFAERO CCCC(=[NH2+])N[C@@H](C)CC1CC1 69674285 572134029 /nfs/dbraw/zinc/13/40/29/572134029.db2.gz GQRFWQVOUGWRDO-QMMMGPOBSA-N 1 0 168.284 2.542 10 0 AFAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CCS[C@@H]1C 300360644 572134036 /nfs/dbraw/zinc/13/40/36/572134036.db2.gz XJUVFLGTTLLXPH-ZNSHCXBVSA-N 1 0 199.363 2.659 10 0 AFAERO CC[C@@H]1C[C@H]1[NH2+][C@H](C)c1ccncc1 300360366 572134071 /nfs/dbraw/zinc/13/40/71/572134071.db2.gz XPGCCBNFJHXUCV-CKYFFXLPSA-N 1 0 190.290 2.531 10 0 AFAERO CCC(=[NH2+])N[C@@H](CC)CC1CC1 69674367 572134073 /nfs/dbraw/zinc/13/40/73/572134073.db2.gz UZRHHTLKQPHKMY-VIFPVBQESA-N 1 0 168.284 2.542 10 0 AFAERO C[NH2+][C@H](Cc1ccc(C)cc1)C(C)C 37468273 572134084 /nfs/dbraw/zinc/13/40/84/572134084.db2.gz IAJUEZMEXYITNW-CYBMUJFWSA-N 1 0 191.318 2.782 10 0 AFAERO CCC[C@H](C)[NH2+][C@@H](C)C1(C)CC1 37467608 572134091 /nfs/dbraw/zinc/13/40/91/572134091.db2.gz IGCPOCANMCNLSB-UWVGGRQHSA-N 1 0 169.312 2.953 10 0 AFAERO CC[C@H](CC1CC1)NC(=[NH2+])C1CC1 69674385 572134110 /nfs/dbraw/zinc/13/41/10/572134110.db2.gz OTAQXCRYYVGMJQ-SNVBAGLBSA-N 1 0 180.295 2.542 10 0 AFAERO C[NH2+]C[C@H]1C[C@]12CC[C@@H](C)[C@@H](C)C2 82839285 572136623 /nfs/dbraw/zinc/13/66/23/572136623.db2.gz QWPBUMLUFXCWCZ-WRWGMCAJSA-N 1 0 181.323 2.668 10 0 AFAERO CC[C@H](Cc1ccc(Cl)cc1)[NH2+]C 37467819 572134184 /nfs/dbraw/zinc/13/41/84/572134184.db2.gz XUDHEKDVNRNMFG-LLVKDONJSA-N 1 0 197.709 2.881 10 0 AFAERO CCC[C@@H](C)[NH2+][C@H](C)C1(C)CC1 37467610 572134191 /nfs/dbraw/zinc/13/41/91/572134191.db2.gz IGCPOCANMCNLSB-NXEZZACHSA-N 1 0 169.312 2.953 10 0 AFAERO CC[C@@H]1C[C@H]1[NH2+][C@H](C)C1(C)CC1 300360299 572134202 /nfs/dbraw/zinc/13/42/02/572134202.db2.gz WSIKUSNVVHUIDR-OPRDCNLKSA-N 1 0 167.296 2.563 10 0 AFAERO CC[C@@H]1C[C@@H]1[NH2+][C@H](C)CC(C)(C)OC 300359481 572134217 /nfs/dbraw/zinc/13/42/17/572134217.db2.gz OXSVNDFUVZNRPI-MXWKQRLJSA-N 1 0 199.338 2.578 10 0 AFAERO CCC[NH2+][C@@H](CCC)c1ccncc1 37467674 572134276 /nfs/dbraw/zinc/13/42/76/572134276.db2.gz OREMHVLBOXUIOQ-LBPRGKRZSA-N 1 0 192.306 2.922 10 0 AFAERO CCC[C@H](C)[C@H]([NH2+]C)[C@H]1CCCCO1 300350310 572134300 /nfs/dbraw/zinc/13/43/00/572134300.db2.gz UVVWSYFIJUJIRO-TUAOUCFPSA-N 1 0 199.338 2.580 10 0 AFAERO CC[NH2+][C@@H](CC)Cc1ccccc1C 37468636 572134247 /nfs/dbraw/zinc/13/42/47/572134247.db2.gz NTPSXMYMSYXZQL-ZDUSSCGKSA-N 1 0 191.318 2.926 10 0 AFAERO CCC[NH2+][C@@H](CC)c1cccnc1 37467581 572134339 /nfs/dbraw/zinc/13/43/39/572134339.db2.gz JKAFVEFUSRMVKH-NSHDSACASA-N 1 0 178.279 2.532 10 0 AFAERO CCC[C@H](C)[C@H](F)[C@H]1CCCC[NH2+]1 300350113 572134343 /nfs/dbraw/zinc/13/43/43/572134343.db2.gz TXUFMHFEXKILPO-AXFHLTTASA-N 1 0 187.302 2.903 10 0 AFAERO CC[C@@H](CC1CC1)NC(=[NH2+])C(C)C 69674373 572134360 /nfs/dbraw/zinc/13/43/60/572134360.db2.gz VMXFQWJRAFXEAY-JTQLQIEISA-N 1 0 182.311 2.788 10 0 AFAERO C[NH2+][C@@H](Cc1ccc(C)cc1)C(C)C 37468271 572134364 /nfs/dbraw/zinc/13/43/64/572134364.db2.gz IAJUEZMEXYITNW-ZDUSSCGKSA-N 1 0 191.318 2.782 10 0 AFAERO CCC[C@H](C)[NH2+][C@H]1C[C@H]1CC 300360403 572134368 /nfs/dbraw/zinc/13/43/68/572134368.db2.gz YAEDFIFMZFDYMW-AEJSXWLSSA-N 1 0 155.285 2.563 10 0 AFAERO C[C@@H]1CC(C[NH2+]C2CC2)C[C@H](C)C1 82833587 572134382 /nfs/dbraw/zinc/13/43/82/572134382.db2.gz CPUWKAWKGPWUDO-ZACCUICWSA-N 1 0 181.323 2.811 10 0 AFAERO C[NH2+][C@@H](Cc1ccccc1F)C(C)C 37468281 572134316 /nfs/dbraw/zinc/13/43/16/572134316.db2.gz AMVNUAAIRCBYRN-LBPRGKRZSA-N 1 0 195.281 2.612 10 0 AFAERO CCC[NH2+][C@H](C[C@H]1CCCO1)C(C)C 37468111 572134323 /nfs/dbraw/zinc/13/43/23/572134323.db2.gz ITPUSAWMANTYNS-VXGBXAGGSA-N 1 0 199.338 2.580 10 0 AFAERO C[C@H]1CC[C@@]2(CCC[NH2+]C2)C[C@@H]1C 82836802 572134329 /nfs/dbraw/zinc/13/43/29/572134329.db2.gz RCTNQXAVKQAVSR-SRVKXCTJSA-N 1 0 181.323 2.812 10 0 AFAERO CC[NH2+][C@H](C)Cc1ccc(C)cc1 37468686 572134330 /nfs/dbraw/zinc/13/43/30/572134330.db2.gz ZZTAWHXZZFYJLV-LLVKDONJSA-N 1 0 177.291 2.536 10 0 AFAERO CCC[C@@H](C)[C@H]([NH3+])c1csc(C)n1 300350254 572134409 /nfs/dbraw/zinc/13/44/09/572134409.db2.gz UPZNPJJOFILMNE-XCBNKYQSSA-N 1 0 198.335 2.888 10 0 AFAERO CC[C@H]([NH3+])COC1C[C@@H](C)C[C@H](C)C1 82834325 572134415 /nfs/dbraw/zinc/13/44/15/572134415.db2.gz XORQJYWCTNOIHM-DCAQKATOSA-N 1 0 199.338 2.565 10 0 AFAERO CCC(C)(C)C[C@]1([NH3+])CCCOCC1 713219681 572134434 /nfs/dbraw/zinc/13/44/34/572134434.db2.gz JRXRLBLYBRFPDY-LBPRGKRZSA-N 1 0 199.338 2.711 10 0 AFAERO Cc1cccc(C[C@H]([NH3+])CC(C)C)c1 37466843 572134455 /nfs/dbraw/zinc/13/44/55/572134455.db2.gz FYGUIFQXSZCBSZ-CYBMUJFWSA-N 1 0 191.318 2.911 10 0 AFAERO C[C@@H]1CC(N2CCCC2=[NH2+])C[C@H](C)C1 82835220 572134472 /nfs/dbraw/zinc/13/44/72/572134472.db2.gz MGOHJQCZWSHUPR-ZACCUICWSA-N 1 0 194.322 2.884 10 0 AFAERO C[C@@H]1CC([NH2+]CC(F)F)C[C@H](C)C1 82835060 572134474 /nfs/dbraw/zinc/13/44/74/572134474.db2.gz KBFHPCFCHADPNJ-JVHMLUBASA-N 1 0 191.265 2.666 10 0 AFAERO CC[NH2+][C@H](CC)Cc1ccccc1F 37468630 572134477 /nfs/dbraw/zinc/13/44/77/572134477.db2.gz YLLCNUWIKHDGNF-LLVKDONJSA-N 1 0 195.281 2.756 10 0 AFAERO CC(C)[C@H](C)[NH2+][C@@H](C)C1(C)CC1 37468601 572134481 /nfs/dbraw/zinc/13/44/81/572134481.db2.gz BKLDBOACJBDEPX-UWVGGRQHSA-N 1 0 169.312 2.809 10 0 AFAERO CC[C@@H]1C[C@H]1[NH2+][C@H](C)CC1CCC1 300360449 572134523 /nfs/dbraw/zinc/13/45/23/572134523.db2.gz YTRMEZSVECOSGD-YUSALJHKSA-N 1 0 181.323 2.953 10 0 AFAERO CCCC[C@H](C)[NH2+][C@H]1C[C@H]1CC 300360439 572134526 /nfs/dbraw/zinc/13/45/26/572134526.db2.gz YNKUNCWGCMHHIC-AXFHLTTASA-N 1 0 169.312 2.953 10 0 AFAERO CC[C@H](Cc1cccc(Cl)c1)[NH2+]C 37467328 572134529 /nfs/dbraw/zinc/13/45/29/572134529.db2.gz FZHDJSQPVOTCRY-LLVKDONJSA-N 1 0 197.709 2.881 10 0 AFAERO CC[C@@H](C[NH3+])OC1C[C@@H](C)C[C@@H](C)C1 82834287 572134544 /nfs/dbraw/zinc/13/45/44/572134544.db2.gz WPRBVPRCAZRXHI-PSIUFMSWSA-N 1 0 199.338 2.565 10 0 AFAERO CCC[NH2+][C@@H](CC)c1ccccn1 37467504 572134556 /nfs/dbraw/zinc/13/45/56/572134556.db2.gz FCAYHNKKJKVCGE-JTQLQIEISA-N 1 0 178.279 2.532 10 0 AFAERO CC(C)CC[NH2+][C@H](C)C1(C)CC1 37467770 572134558 /nfs/dbraw/zinc/13/45/58/572134558.db2.gz HVTKDAQWJDHSJG-SNVBAGLBSA-N 1 0 169.312 2.811 10 0 AFAERO C[C@H]1CCc2c(Cl)cccc2[C@@H]1[NH3+] 71489236 572134560 /nfs/dbraw/zinc/13/45/60/572134560.db2.gz YJFXFTOQLKHMDG-WRWORJQWSA-N 1 0 195.693 2.922 10 0 AFAERO CCC[C@H](C)[C@H]1CCC[C@H]1C[NH3+] 300350241 572134561 /nfs/dbraw/zinc/13/45/61/572134561.db2.gz UNCNKPLFADBXIP-GARJFASQSA-N 1 0 169.312 2.798 10 0 AFAERO CC[NH2+][C@@H](CC)Cc1ccccc1F 37468628 572134592 /nfs/dbraw/zinc/13/45/92/572134592.db2.gz YLLCNUWIKHDGNF-NSHDSACASA-N 1 0 195.281 2.756 10 0 AFAERO CC[C@H]1C[C@@H]1[NH2+][C@H]1CCC[C@H]1CC 300359884 572134596 /nfs/dbraw/zinc/13/45/96/572134596.db2.gz RMICFNVCFGZDFC-RHYQMDGZSA-N 1 0 181.323 2.953 10 0 AFAERO CCC[NH2+][C@@H](C[C@H]1CCCO1)C(C)C 37468109 572134597 /nfs/dbraw/zinc/13/45/97/572134597.db2.gz ITPUSAWMANTYNS-NEPJUHHUSA-N 1 0 199.338 2.580 10 0 AFAERO C[NH2+][C@H](Cc1ccccc1C)C(C)C 37468293 572134610 /nfs/dbraw/zinc/13/46/10/572134610.db2.gz FYVQCNYYEPLYEB-CYBMUJFWSA-N 1 0 191.318 2.782 10 0 AFAERO CCC[C@@H](C)[C@H]([NH3+])CCc1ccco1 300350517 572136979 /nfs/dbraw/zinc/13/69/79/572136979.db2.gz WGVYQFQISBCYHF-ZYHUDNBSSA-N 1 0 195.306 2.976 10 0 AFAERO CCC[C@H](C)[C@@H]1CCC[C@H]1C[NH3+] 300350240 572134645 /nfs/dbraw/zinc/13/46/45/572134645.db2.gz UNCNKPLFADBXIP-DCAQKATOSA-N 1 0 169.312 2.798 10 0 AFAERO CC[NH2+][C@@H](CC(C)C)C[C@@H]1CCCO1 37468083 572134684 /nfs/dbraw/zinc/13/46/84/572134684.db2.gz YVHUKNOUUUIRQY-RYUDHWBXSA-N 1 0 199.338 2.580 10 0 AFAERO CCC[C@H]([NH2+]CC)c1ccncc1 37467654 572134700 /nfs/dbraw/zinc/13/47/00/572134700.db2.gz MPHGWJDYWCXCAA-NSHDSACASA-N 1 0 178.279 2.532 10 0 AFAERO CCC[NH2+][C@H](CCC)C[C@H]1CCCO1 37468119 572134703 /nfs/dbraw/zinc/13/47/03/572134703.db2.gz INMIHFCGLRVKCL-VXGBXAGGSA-N 1 0 199.338 2.724 10 0 AFAERO CCCC[C@H](C)[NH2+][C@@H]1C[C@H]1CC 300360440 572134728 /nfs/dbraw/zinc/13/47/28/572134728.db2.gz YNKUNCWGCMHHIC-HBNTYKKESA-N 1 0 169.312 2.953 10 0 AFAERO CC[C@@H](Cc1cccc(Cl)c1)[NH2+]C 37467326 572134731 /nfs/dbraw/zinc/13/47/31/572134731.db2.gz FZHDJSQPVOTCRY-NSHDSACASA-N 1 0 197.709 2.881 10 0 AFAERO CC[C@@H]([NH2+][C@H]1C[C@H]1CC)C(C)C 300360094 572134742 /nfs/dbraw/zinc/13/47/42/572134742.db2.gz TTWDIYDGJPFVJJ-MXWKQRLJSA-N 1 0 169.312 2.809 10 0 AFAERO CC[NH2+][C@H](CC)Cc1cccc(C)c1 37468634 572134759 /nfs/dbraw/zinc/13/47/59/572134759.db2.gz LXAUILQYZDIIAK-CYBMUJFWSA-N 1 0 191.318 2.926 10 0 AFAERO CCC[NH2+][C@@H](CC)CC(C)C 37468229 572134766 /nfs/dbraw/zinc/13/47/66/572134766.db2.gz KNGURPNJRFTKQX-JTQLQIEISA-N 1 0 157.301 2.811 10 0 AFAERO CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@H]1CC 300359886 572134805 /nfs/dbraw/zinc/13/48/05/572134805.db2.gz RMICFNVCFGZDFC-WYUUTHIRSA-N 1 0 181.323 2.953 10 0 AFAERO CC[C@@H]1C[C@H]1[NH2+][C@H](C)c1nccs1 300359923 572134809 /nfs/dbraw/zinc/13/48/09/572134809.db2.gz SDAHXLFUUNKSNT-IWSPIJDZSA-N 1 0 196.319 2.592 10 0 AFAERO CCC[C@H](C)O[C@H]1CCCC[C@H]1C[NH3+] 300350565 572137039 /nfs/dbraw/zinc/13/70/39/572137039.db2.gz WQZAWFCCONMHCX-SRVKXCTJSA-N 1 0 199.338 2.709 10 0 AFAERO CCC[C@@H](CC(C)C)[NH2+]CC 37468197 572134833 /nfs/dbraw/zinc/13/48/33/572134833.db2.gz AEOUXOGAXSONHA-JTQLQIEISA-N 1 0 157.301 2.811 10 0 AFAERO C[NH2+][C@@H](Cc1ccccc1C)C(C)C 37468291 572134846 /nfs/dbraw/zinc/13/48/46/572134846.db2.gz FYVQCNYYEPLYEB-ZDUSSCGKSA-N 1 0 191.318 2.782 10 0 AFAERO CC[C@H]([NH2+][C@H]1C[C@H]1CC)C(C)C 300360096 572134862 /nfs/dbraw/zinc/13/48/62/572134862.db2.gz TTWDIYDGJPFVJJ-VWYCJHECSA-N 1 0 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/nfs/dbraw/zinc/18/52/10/572185210.db2.gz RIVCQPHKFNVCDK-GHMZBOCLSA-N 1 0 199.338 2.755 10 0 AFAERO CCC[NH2+]CCc1ccc(C)s1 82954769 572185274 /nfs/dbraw/zinc/18/52/74/572185274.db2.gz FSKLUSDGAQTWOC-UHFFFAOYSA-N 1 0 183.320 2.599 10 0 AFAERO Cc1ccc(CC[NH2+]C(C)C)s1 82954811 572185288 /nfs/dbraw/zinc/18/52/88/572185288.db2.gz PYPVFQRQSATCBE-UHFFFAOYSA-N 1 0 183.320 2.597 10 0 AFAERO CC[NH2+]CCc1cc(C)sc1C 82954766 572185463 /nfs/dbraw/zinc/18/54/63/572185463.db2.gz JAAKBWRXPAMPCP-UHFFFAOYSA-N 1 0 183.320 2.517 10 0 AFAERO CC[NH2+]CCc1ccc([C@@H]2C[C@@H]2C)o1 82954749 572185486 /nfs/dbraw/zinc/18/54/86/572185486.db2.gz TXONTKYKCLAPFY-GXSJLCMTSA-N 1 0 193.290 2.555 10 0 AFAERO C[C@@H]1CCc2cccc(Cl)c2C[NH2+]1 219874241 572185609 /nfs/dbraw/zinc/18/56/09/572185609.db2.gz OYHPQZWJFORALK-MRVPVSSYSA-N 1 0 195.693 2.764 10 0 AFAERO Cc1cc(CC[NH2+]C(C)C)c(C)s1 82954850 572185756 /nfs/dbraw/zinc/18/57/56/572185756.db2.gz YPQZUDCDBXORCT-UHFFFAOYSA-N 1 0 197.347 2.905 10 0 AFAERO CCC[NH2+]CCc1cc(C)sc1C 82954809 572185644 /nfs/dbraw/zinc/18/56/44/572185644.db2.gz GOKHBVUPTDNMNP-UHFFFAOYSA-N 1 0 197.347 2.907 10 0 AFAERO CCCC[NH2+][C@@H]1CC[C@@H](C)[C@@H]1C 83042168 572185921 /nfs/dbraw/zinc/18/59/21/572185921.db2.gz GEVZGZPCHJAKLG-OUAUKWLOSA-N 1 0 169.312 2.811 10 0 AFAERO CC[C@@H](C)[C@@](C)([NH3+])Cc1ccccc1 37745758 572186038 /nfs/dbraw/zinc/18/60/38/572186038.db2.gz DWWQDKLDHXQNNA-YPMHNXCESA-N 1 0 191.318 2.993 10 0 AFAERO CCCC[NH2+][C@H]1CC[C@@H](C)[C@@H]1C 83042169 572186101 /nfs/dbraw/zinc/18/61/01/572186101.db2.gz GEVZGZPCHJAKLG-VWYCJHECSA-N 1 0 169.312 2.811 10 0 AFAERO CCCC[NH2+][C@@H]1CC[C@H](C)[C@@H]1C 83042164 572186202 /nfs/dbraw/zinc/18/62/02/572186202.db2.gz GEVZGZPCHJAKLG-GARJFASQSA-N 1 0 169.312 2.811 10 0 AFAERO C[C@H]1CC[C@H]([NH2+]Cc2ccc[nH]2)[C@@H]1C 83041709 572186206 /nfs/dbraw/zinc/18/62/06/572186206.db2.gz KEPDGAGRRAZWKS-UMNHJUIQSA-N 1 0 192.306 2.539 10 0 AFAERO CC[NH2+][C@H]1CC[C@@H](c2ccoc2)[C@@H]1C 83034355 572186321 /nfs/dbraw/zinc/18/63/21/572186321.db2.gz CIJWEEVXXWWTTD-WCQGTBRESA-N 1 0 193.290 2.771 10 0 AFAERO C[C@H]1CC[C@H]([NH2+]Cc2ccco2)[C@@H]1C 83041169 572186384 /nfs/dbraw/zinc/18/63/84/572186384.db2.gz IQUYXXQCLFZBSW-UMNHJUIQSA-N 1 0 193.290 2.804 10 0 AFAERO CCC[NH2+][C@@H]1CC[C@@H](C2CC2)[C@@H]1C 83034558 572186435 /nfs/dbraw/zinc/18/64/35/572186435.db2.gz CPULDYPPLLIZIV-MVWJERBFSA-N 1 0 181.323 2.811 10 0 AFAERO CCC[NH2+][C@@H]1CC[C@H](CC)[C@@H]1C 83034671 572186498 /nfs/dbraw/zinc/18/64/98/572186498.db2.gz UEFDLEQRRHFCLX-GARJFASQSA-N 1 0 169.312 2.811 10 0 AFAERO CCCC[NH2+][C@H]1CC[C@H](C)[C@@H]1C 83042166 572186514 /nfs/dbraw/zinc/18/65/14/572186514.db2.gz GEVZGZPCHJAKLG-DCAQKATOSA-N 1 0 169.312 2.811 10 0 AFAERO CCC[NH2+][C@@H]1CC[C@@H](CC)[C@@H]1C 83034677 572186556 /nfs/dbraw/zinc/18/65/56/572186556.db2.gz UEFDLEQRRHFCLX-HBNTYKKESA-N 1 0 169.312 2.811 10 0 AFAERO CCC[NH2+][C@H]1CC[C@@H](C2CC2)[C@@H]1C 83034562 572186565 /nfs/dbraw/zinc/18/65/65/572186565.db2.gz CPULDYPPLLIZIV-WCQGTBRESA-N 1 0 181.323 2.811 10 0 AFAERO C[C@H]1CC[C@H]([NH2+][C@@H]2CCSC2)[C@@H]1C 83041152 572186712 /nfs/dbraw/zinc/18/67/12/572186712.db2.gz BDFCGBKJHPRUAR-ZDCRXTMVSA-N 1 0 199.363 2.516 10 0 AFAERO CC[C@H](C)[C@](C)([NH3+])Cc1ccccc1 37745757 572186792 /nfs/dbraw/zinc/18/67/92/572186792.db2.gz DWWQDKLDHXQNNA-WCQYABFASA-N 1 0 191.318 2.993 10 0 AFAERO Cc1cccc([C@@H]2CCCC[C@H]2[NH3+])c1 35822641 572186800 /nfs/dbraw/zinc/18/68/00/572186800.db2.gz LLROKHDBMHZJHV-QWHCGFSZSA-N 1 0 189.302 2.980 10 0 AFAERO C[C@H]1CC[C@@H]([NH2+]C2CCC2)[C@@H]1C 83042621 572187221 /nfs/dbraw/zinc/18/72/21/572187221.db2.gz ZXCHFYVHDXXOTK-IQJOONFLSA-N 1 0 167.296 2.563 10 0 AFAERO C[C@H]1CC[C@H]([NH2+]C2CCC2)[C@@H]1C 83042617 572186827 /nfs/dbraw/zinc/18/68/27/572186827.db2.gz ZXCHFYVHDXXOTK-NGZCFLSTSA-N 1 0 167.296 2.563 10 0 AFAERO CCC[NH2+][C@H]1CC[C@H](C2CC2)[C@@H]1C 83034555 572187049 /nfs/dbraw/zinc/18/70/49/572187049.db2.gz CPULDYPPLLIZIV-DLOVCJGASA-N 1 0 181.323 2.811 10 0 AFAERO CC[NH2+][C@H]1CC[C@H](C(C)C)[C@@H]1C 83033702 572187193 /nfs/dbraw/zinc/18/71/93/572187193.db2.gz DDKPPGHKOVMXNQ-AXFHLTTASA-N 1 0 169.312 2.667 10 0 AFAERO CC(C)C[C@H](C)CSCCC[NH3+] 300967066 572187512 /nfs/dbraw/zinc/18/75/12/572187512.db2.gz RPXDBPZHUHNEHS-JTQLQIEISA-N 1 0 189.368 2.751 10 0 AFAERO C[C@H]1CC[C@@H]([NH2+][C@@H]2CCSC2)[C@@H]1C 83041155 572187561 /nfs/dbraw/zinc/18/75/61/572187561.db2.gz BDFCGBKJHPRUAR-LNFKQOIKSA-N 1 0 199.363 2.516 10 0 AFAERO CC[NH2+][C@H]1CC[C@H](c2ccoc2)[C@@H]1C 83034345 572187715 /nfs/dbraw/zinc/18/77/15/572187715.db2.gz CIJWEEVXXWWTTD-DLOVCJGASA-N 1 0 193.290 2.771 10 0 AFAERO CCC[NH2+][C@@H]1CC[C@H](C2CC2)[C@@H]1C 83034550 572187717 /nfs/dbraw/zinc/18/77/17/572187717.db2.gz CPULDYPPLLIZIV-ZMLRMANQSA-N 1 0 181.323 2.811 10 0 AFAERO C[C@H]1CC[C@@H]([NH2+]C2CCCC2)[C@@H]1C 83040835 572187723 /nfs/dbraw/zinc/18/77/23/572187723.db2.gz OARBTIZAGDIORR-HOSYDEDBSA-N 1 0 181.323 2.953 10 0 AFAERO CC[C@H](C)[C@@](C)([NH3+])Cc1ccccc1 37745759 572187772 /nfs/dbraw/zinc/18/77/72/572187772.db2.gz DWWQDKLDHXQNNA-AAEUAGOBSA-N 1 0 191.318 2.993 10 0 AFAERO CCC[C@@H]1CC[C@@H]([NH2+]CC)[C@@H]1C 83034314 572187789 /nfs/dbraw/zinc/18/77/89/572187789.db2.gz SGKCYVILKKWHEL-GMTAPVOTSA-N 1 0 169.312 2.811 10 0 AFAERO CC[NH2+][C@H]1CC[C@@H](c2ccco2)[C@@H]1C 83034493 572187795 /nfs/dbraw/zinc/18/77/95/572187795.db2.gz SWMMRARTJYGYCX-AXFHLTTASA-N 1 0 193.290 2.771 10 0 AFAERO C[C@H]1CC[C@H]([NH2+]C2CCCC2)[C@@H]1C 83040832 572187817 /nfs/dbraw/zinc/18/78/17/572187817.db2.gz OARBTIZAGDIORR-UMNHJUIQSA-N 1 0 181.323 2.953 10 0 AFAERO CCC(C)(C)C[NH2+]CC1(F)CC1 393348859 572187874 /nfs/dbraw/zinc/18/78/74/572187874.db2.gz MJPMJCISDYSSJZ-UHFFFAOYSA-N 1 0 173.275 2.514 10 0 AFAERO C[C@H]1CC[C@@H]([NH2+]Cc2ccco2)[C@@H]1C 83041174 572187886 /nfs/dbraw/zinc/18/78/86/572187886.db2.gz IQUYXXQCLFZBSW-HOSYDEDBSA-N 1 0 193.290 2.804 10 0 AFAERO C[C@H]1CC[C@@H]([NH2+]Cc2ccc[nH]2)[C@@H]1C 83041717 572188017 /nfs/dbraw/zinc/18/80/17/572188017.db2.gz KEPDGAGRRAZWKS-HOSYDEDBSA-N 1 0 192.306 2.539 10 0 AFAERO CCC[NH2+][C@H]1CC[C@@H](CC)[C@@H]1C 83034681 572188039 /nfs/dbraw/zinc/18/80/39/572188039.db2.gz UEFDLEQRRHFCLX-AXFHLTTASA-N 1 0 169.312 2.811 10 0 AFAERO CCC[C@H]1CC[C@@H]([NH2+]CC)[C@@H]1C 83034318 572188055 /nfs/dbraw/zinc/18/80/55/572188055.db2.gz SGKCYVILKKWHEL-OUAUKWLOSA-N 1 0 169.312 2.811 10 0 AFAERO CCC[C@H]1CC[C@H]([NH2+]CC)[C@@H]1C 83034310 572188075 /nfs/dbraw/zinc/18/80/75/572188075.db2.gz SGKCYVILKKWHEL-VWYCJHECSA-N 1 0 169.312 2.811 10 0 AFAERO CC[C@@H](C)[C@](C)([NH3+])Cc1ccccc1 37745756 572188285 /nfs/dbraw/zinc/18/82/85/572188285.db2.gz DWWQDKLDHXQNNA-DGCLKSJQSA-N 1 0 191.318 2.993 10 0 AFAERO CC[C@H]1CC[C@H]([NH2+]C2CCC2)[C@@H]1C 83048035 572188469 /nfs/dbraw/zinc/18/84/69/572188469.db2.gz XNULOPNKHSHIOS-SCVCMEIPSA-N 1 0 181.323 2.953 10 0 AFAERO CC[C@H]1CC[C@@H]([NH2+]CC2CC2)[C@@H]1C 83048022 572188646 /nfs/dbraw/zinc/18/86/46/572188646.db2.gz HZLGIQUCQFEYGV-ADEWGFFLSA-N 1 0 181.323 2.811 10 0 AFAERO CC[C@H]1[NH2+]CCc2c(F)ccc(C)c21 234086358 572188746 /nfs/dbraw/zinc/18/87/46/572188746.db2.gz RAMJMSZFZDWFCA-LLVKDONJSA-N 1 0 193.265 2.731 10 0 AFAERO CC[C@@H]1CC[C@@H]([NH2+]CC(F)F)[C@@H]1C 83048433 572188770 /nfs/dbraw/zinc/18/87/70/572188770.db2.gz TUKMBNYVNLKYOC-IWSPIJDZSA-N 1 0 191.265 2.666 10 0 AFAERO C[C@H]1CC[C@@H](Nc2cc[nH+]cc2)[C@@H]1C 83045570 572188865 /nfs/dbraw/zinc/18/88/65/572188865.db2.gz LXIPHBUHZXQTSX-HOSYDEDBSA-N 1 0 190.290 2.928 10 0 AFAERO C[NH2+][C@H](C[C@@H]1C[C@H]1C1CC1)C1CCC1 712927524 572188880 /nfs/dbraw/zinc/18/88/80/572188880.db2.gz YYYFDGMVKMXQLM-RWMBFGLXSA-N 1 0 193.334 2.811 10 0 AFAERO CC(C)C[C@@H](C)c1nc(C[NH3+])cs1 300969358 572188916 /nfs/dbraw/zinc/18/89/16/572188916.db2.gz RYMBXMKEHZEMKA-MRVPVSSYSA-N 1 0 198.335 2.751 10 0 AFAERO CC(C)[NH2+]Cc1ccc(O)c(Cl)c1 43476626 572189013 /nfs/dbraw/zinc/18/90/13/572189013.db2.gz RAZBKLCFKXMOBY-UHFFFAOYSA-N 1 0 199.681 2.544 10 0 AFAERO C[C@@H]([NH2+]CCC(F)F)C(C)(C)C 687711735 572189223 /nfs/dbraw/zinc/18/92/23/572189223.db2.gz TXNPEYTVEHKNEE-SSDOTTSWSA-N 1 0 179.254 2.666 10 0 AFAERO CC[C@H]1CC[C@@H]([NH2+]C(C)C)[C@@H]1C 83047147 572189240 /nfs/dbraw/zinc/18/92/40/572189240.db2.gz IKLLBYFBDFVNKQ-OUAUKWLOSA-N 1 0 169.312 2.809 10 0 AFAERO CCOCC[C@]1(CC(C)C)CCC[NH2+]1 687791692 572189271 /nfs/dbraw/zinc/18/92/71/572189271.db2.gz XGVQFEUFYRXRGB-LBPRGKRZSA-N 1 0 199.338 2.581 10 0 AFAERO C[C@H]1CC[C@H](N2CCCCC2=[NH2+])[C@@H]1C 83045113 572189273 /nfs/dbraw/zinc/18/92/73/572189273.db2.gz LGZSNVLWQNBCGI-AXFHLTTASA-N 1 0 194.322 2.884 10 0 AFAERO [NH3+][C@@H](c1cnc2ccccc2c1)C1CC1 37761869 572189363 /nfs/dbraw/zinc/18/93/63/572189363.db2.gz GDOXJLGLNBZBIL-CYBMUJFWSA-N 1 0 198.269 2.645 10 0 AFAERO CC[C@@H](F)C[N@H+](CC)CCC1CC1 388677308 572189371 /nfs/dbraw/zinc/18/93/71/572189371.db2.gz ZILSSBZFQYKWAA-LLVKDONJSA-N 1 0 187.302 2.857 10 0 AFAERO CC[C@H]1CC[C@H]([NH2+]CC2CC2)[C@@H]1C 83048017 572189456 /nfs/dbraw/zinc/18/94/56/572189456.db2.gz HZLGIQUCQFEYGV-USWWRNFRSA-N 1 0 181.323 2.811 10 0 AFAERO CC[C@@]([NH3+])(Cc1ccccc1)C(C)C 37755334 572189489 /nfs/dbraw/zinc/18/94/89/572189489.db2.gz FWZFTUHDHRKBQS-CYBMUJFWSA-N 1 0 191.318 2.993 10 0 AFAERO CC[C@H]1CC[C@@H]([NH2+]C2CCC2)[C@@H]1C 83048039 572189547 /nfs/dbraw/zinc/18/95/47/572189547.db2.gz XNULOPNKHSHIOS-JFGNBEQYSA-N 1 0 181.323 2.953 10 0 AFAERO CC[C@H](C)SC[C@@H]1CCCC[NH2+]1 43495301 572189562 /nfs/dbraw/zinc/18/95/62/572189562.db2.gz ILYYPHNDYVMPLT-UWVGGRQHSA-N 1 0 187.352 2.660 10 0 AFAERO CC[C@@H]1CC[C@H]([NH2+]CC(F)F)[C@@H]1C 83048429 572189615 /nfs/dbraw/zinc/18/96/15/572189615.db2.gz TUKMBNYVNLKYOC-HLTSFMKQSA-N 1 0 191.265 2.666 10 0 AFAERO CC[C@H]1CC[C@H](N2CCCC2=[NH2+])[C@@H]1C 83049576 572189674 /nfs/dbraw/zinc/18/96/74/572189674.db2.gz GWQWCZHNZBKPCS-VWYCJHECSA-N 1 0 194.322 2.884 10 0 AFAERO CC1CC([N@H+](C)CCC2CC2)C1 393349534 572189700 /nfs/dbraw/zinc/18/97/00/572189700.db2.gz OISNWJBIAYNJDN-UHFFFAOYSA-N 1 0 167.296 2.517 10 0 AFAERO C/C=C\CC[NH2+][C@@H]1CCCS[C@H]1C 393349811 572189803 /nfs/dbraw/zinc/18/98/03/572189803.db2.gz PFYZZVNMFQHOEH-CBZSPVTBSA-N 1 0 199.363 2.826 10 0 AFAERO CC[C@H]1CC[C@H]([NH2+]CC(F)F)[C@@H]1C 83048430 572189811 /nfs/dbraw/zinc/18/98/11/572189811.db2.gz TUKMBNYVNLKYOC-VGMNWLOBSA-N 1 0 191.265 2.666 10 0 AFAERO C[C@H]1CC[C@H](Nc2cc[nH+]cc2)[C@@H]1C 83045565 572189979 /nfs/dbraw/zinc/18/99/79/572189979.db2.gz LXIPHBUHZXQTSX-UMNHJUIQSA-N 1 0 190.290 2.928 10 0 AFAERO CC(C)C[C@H](C)c1nc(C[NH3+])cs1 300969359 572190267 /nfs/dbraw/zinc/19/02/67/572190267.db2.gz RYMBXMKEHZEMKA-QMMMGPOBSA-N 1 0 198.335 2.751 10 0 AFAERO CC[C@@H]1CC[C@H]([NH2+]CC2CC2)[C@@H]1C 83048015 572190083 /nfs/dbraw/zinc/19/00/83/572190083.db2.gz HZLGIQUCQFEYGV-JLLWLGSASA-N 1 0 181.323 2.811 10 0 AFAERO CC[C@H]1CC[C@@H]([NH2+]CC(F)F)[C@@H]1C 83048436 572190177 /nfs/dbraw/zinc/19/01/77/572190177.db2.gz TUKMBNYVNLKYOC-HRDYMLBCSA-N 1 0 191.265 2.666 10 0 AFAERO CC[C@@H]1CC[C@@H]([NH2+]CC2CC2)[C@@H]1C 83048021 572190266 /nfs/dbraw/zinc/19/02/66/572190266.db2.gz HZLGIQUCQFEYGV-YUSALJHKSA-N 1 0 181.323 2.811 10 0 AFAERO CCOCC[C@@]1(CC(C)C)CCC[NH2+]1 687791691 572190342 /nfs/dbraw/zinc/19/03/42/572190342.db2.gz XGVQFEUFYRXRGB-GFCCVEGCSA-N 1 0 199.338 2.581 10 0 AFAERO CC[C@H]1CC[C@H]([NH2+]C(C)C)[C@@H]1C 83047141 572190417 /nfs/dbraw/zinc/19/04/17/572190417.db2.gz IKLLBYFBDFVNKQ-VWYCJHECSA-N 1 0 169.312 2.809 10 0 AFAERO C[C@H]([NH2+]CCC(F)F)C(C)(C)C 687711736 572190493 /nfs/dbraw/zinc/19/04/93/572190493.db2.gz TXNPEYTVEHKNEE-ZETCQYMHSA-N 1 0 179.254 2.666 10 0 AFAERO CC[C@@]1(C2CC2)C[C@H]1C[NH2+]C1CC1 83059125 572190794 /nfs/dbraw/zinc/19/07/94/572190794.db2.gz QQXZZIPXZXEYQY-JQWIXIFHSA-N 1 0 179.307 2.565 10 0 AFAERO CCC1([C@@H]([NH2+]C)C2CCC2)CC1 393349742 572190836 /nfs/dbraw/zinc/19/08/36/572190836.db2.gz OWIUPBLPUYKTQV-JTQLQIEISA-N 1 0 167.296 2.565 10 0 AFAERO CCCC[C@H](C)[C@@H]([NH3+])CCCOC 300970276 572190848 /nfs/dbraw/zinc/19/08/48/572190848.db2.gz RUZMOCCCVUFWKY-QWRGUYRKSA-N 1 0 187.327 2.567 10 0 AFAERO 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CCSc1cccc(F)c1[C@@H](C)[NH3+] 19873803 572204513 /nfs/dbraw/zinc/20/45/13/572204513.db2.gz ALRYONLYAOHDFN-SSDOTTSWSA-N 1 0 199.294 2.957 10 0 AFAERO CC(C)C[C@H](C)CC1(C[NH3+])CC1 300975260 572204527 /nfs/dbraw/zinc/20/45/27/572204527.db2.gz SQPQVGMIMTUWAK-JTQLQIEISA-N 1 0 169.312 2.798 10 0 AFAERO C[C@@H]1C[C@H]1[C@@H]([NH3+])c1ccc(F)c(F)c1 19968350 572206252 /nfs/dbraw/zinc/20/62/52/572206252.db2.gz PNZTXIPTSZUZAC-HLEGCSNESA-N 1 0 197.228 2.621 10 0 AFAERO Cc1cc(F)ccc1C1=CC[NH2+]CC1 19835047 572204616 /nfs/dbraw/zinc/20/46/16/572204616.db2.gz JHFMPHJQPVFBRL-UHFFFAOYSA-N 1 0 191.249 2.511 10 0 AFAERO CC(C)C[C@@H](C)CC1(C[NH3+])CC1 300975261 572204703 /nfs/dbraw/zinc/20/47/03/572204703.db2.gz SQPQVGMIMTUWAK-SNVBAGLBSA-N 1 0 169.312 2.798 10 0 AFAERO CCCC1([C@@H]([NH3+])CC2CC2)CC1 393352099 572204737 /nfs/dbraw/zinc/20/47/37/572204737.db2.gz YPGREDJNWBERFR-JTQLQIEISA-N 1 0 167.296 2.694 10 0 AFAERO CCCC[C@@H](C)[C@@H]([NH3+])Cc1ccoc1 300978302 572206284 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83527764 572231498 /nfs/dbraw/zinc/23/14/98/572231498.db2.gz ULADTQCXJJSUEM-TUAOUCFPSA-N 1 0 199.338 2.580 10 0 AFAERO CCC([NH3+])(CC)CCC[C@H]1CCCO1 83528883 572231549 /nfs/dbraw/zinc/23/15/49/572231549.db2.gz FDJPHVYPPPMWOV-NSHDSACASA-N 1 0 199.338 2.853 10 0 AFAERO CC(C)C[C@@H](C)C[C@]1(F)CC[NH2+]C1 300991351 572231566 /nfs/dbraw/zinc/23/15/66/572231566.db2.gz VPZFIBPEJBKPNM-GHMZBOCLSA-N 1 0 187.302 2.760 10 0 AFAERO CC(C)C[C@H]([NH3+])CCC[C@H]1CCCO1 83529467 572231597 /nfs/dbraw/zinc/23/15/97/572231597.db2.gz XXHHTFNADJJXQL-NEPJUHHUSA-N 1 0 199.338 2.709 10 0 AFAERO C[NH2+][C@H](CC[C@@H]1CCCO1)CC(C)C 83529533 572231828 /nfs/dbraw/zinc/23/18/28/572231828.db2.gz RCIYYBFVYBIIGV-NEPJUHHUSA-N 1 0 199.338 2.580 10 0 AFAERO CC(C)C[C@H](C)[NH2+][C@H]1CC[C@H]1C 393366805 572231619 /nfs/dbraw/zinc/23/16/19/572231619.db2.gz GFHBKGXZPSJDAP-VWYCJHECSA-N 1 0 169.312 2.809 10 0 AFAERO CC(C)C[C@H](C)[NH2+][C@@H]1CC[C@@H]1C 393366802 572231627 /nfs/dbraw/zinc/23/16/27/572231627.db2.gz 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572327162 /nfs/dbraw/zinc/32/71/62/572327162.db2.gz YCWWJURPNZCNAK-QWRGUYRKSA-N 1 0 199.338 2.709 10 0 AFAERO CCC1CC([NH2+]C(CC)CC)C1 307975363 572327578 /nfs/dbraw/zinc/32/75/78/572327578.db2.gz KKFVONKNOWXLIN-UHFFFAOYSA-N 1 0 169.312 2.953 10 0 AFAERO CCC[NH2+]CC[C@H]1CCC[C@@H](OC)C1 686341567 572327659 /nfs/dbraw/zinc/32/76/59/572327659.db2.gz SCYKJNLATCJMCZ-VXGBXAGGSA-N 1 0 199.338 2.581 10 0 AFAERO CCCC[NH2+]CCCc1ccc(C)o1 76277099 572327800 /nfs/dbraw/zinc/32/78/00/572327800.db2.gz MDDASLYIDSRWGH-UHFFFAOYSA-N 1 0 195.306 2.910 10 0 AFAERO Cc1ccc(CCC[NH2+]CC(C)C)o1 76277098 572327820 /nfs/dbraw/zinc/32/78/20/572327820.db2.gz RONZCSAHSNPMSV-UHFFFAOYSA-N 1 0 195.306 2.766 10 0 AFAERO C=C/C=C\CCC1([NH3+])CCCC1 713674224 572327837 /nfs/dbraw/zinc/32/78/37/572327837.db2.gz XPDSHPRUOBLVAZ-ARJAWSKDSA-N 1 0 165.280 2.780 10 0 AFAERO CC(C)CCC[C@@H](C)NC1=[NH+]CCC1 88225380 572328613 /nfs/dbraw/zinc/32/86/13/572328613.db2.gz KYDHTHZSWWPUHA-LLVKDONJSA-N 1 0 196.338 2.983 10 0 AFAERO 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RCHBDILNSMUXLK-ZDUSSCGKSA-N 1 0 189.302 2.665 10 0 AFAERO CCCC[NH2+][C@H](OC)c1ccccc1 238205427 572333950 /nfs/dbraw/zinc/33/39/50/572333950.db2.gz SFOXDRHHNWEPAO-GFCCVEGCSA-N 1 0 193.290 2.721 10 0 AFAERO CC(C)c1ccc([C@]2(C)C[C@H]2[NH3+])cc1 52126116 572334028 /nfs/dbraw/zinc/33/40/28/572334028.db2.gz DWNSFBGTYQMWEV-OLZOCXBDSA-N 1 0 189.302 2.799 10 0 AFAERO CC[NH2+][C@@H](C)c1ncc([C@@H](C)CC)o1 83556387 572334130 /nfs/dbraw/zinc/33/41/30/572334130.db2.gz BNXMLYHYOJUSKA-IUCAKERBSA-N 1 0 196.294 2.859 10 0 AFAERO CCC[NH2+][C@@H](C)c1ncc(C(C)C)o1 83556590 572334174 /nfs/dbraw/zinc/33/41/74/572334174.db2.gz JAAFXKBSXNIOLI-VIFPVBQESA-N 1 0 196.294 2.859 10 0 AFAERO CC(C)c1ccc([C@]2(C)C[C@@H]2[NH3+])cc1 52126114 572334198 /nfs/dbraw/zinc/33/41/98/572334198.db2.gz DWNSFBGTYQMWEV-STQMWFEESA-N 1 0 189.302 2.799 10 0 AFAERO CCCC[NH2+][C@H]1CC[C@@H](OC)C1(C)C 238206100 572337391 /nfs/dbraw/zinc/33/73/91/572337391.db2.gz NIWKAGFYHKTVDN-WDEREUQCSA-N 1 0 199.338 2.580 10 0 AFAERO CC[NH2+][C@H](C)c1ncc(CC(C)C)o1 83556422 572334206 /nfs/dbraw/zinc/33/42/06/572334206.db2.gz BGDZMMNAZDWSEQ-SECBINFHSA-N 1 0 196.294 2.544 10 0 AFAERO C=C/C=C\CC[C@H]([NH2+]C)[C@@H](C)OCC 713678738 572334211 /nfs/dbraw/zinc/33/42/11/572334211.db2.gz LZSLONZXAYOBKG-WZIXFXTNSA-N 1 0 197.322 2.522 10 0 AFAERO CCC[C@H](C)c1cnc([C@@H](C)[NH2+]C)o1 83556071 572334369 /nfs/dbraw/zinc/33/43/69/572334369.db2.gz KFIKAPLFNGIXHN-DTWKUNHWSA-N 1 0 196.294 2.859 10 0 AFAERO CC[NH2+][C@@H](C)c1ncc(C2CCC2)o1 83556518 572335380 /nfs/dbraw/zinc/33/53/80/572335380.db2.gz WSYZYJPNOYUHDG-QMMMGPOBSA-N 1 0 194.278 2.613 10 0 AFAERO CC(C)c1ccc([C@@]2(C)C[C@H]2[NH3+])cc1 52126117 572334433 /nfs/dbraw/zinc/33/44/33/572334433.db2.gz DWNSFBGTYQMWEV-CHWSQXEVSA-N 1 0 189.302 2.799 10 0 AFAERO C[NH2+][C@H](C)c1ncc([C@@H](C)C(C)C)o1 83556291 572334539 /nfs/dbraw/zinc/33/45/39/572334539.db2.gz CNOCIUWDQSJEHY-DTWKUNHWSA-N 1 0 196.294 2.715 10 0 AFAERO CC[NH2+][C@@H](C)c1ncc([C@H](C)CC)o1 83556385 572334635 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/nfs/dbraw/zinc/33/50/29/572335029.db2.gz JAAFXKBSXNIOLI-SECBINFHSA-N 1 0 196.294 2.859 10 0 AFAERO CCCC[C@@H](CC)[C@@H]1[NH2+]C(C)(C)CO1 238209087 572337525 /nfs/dbraw/zinc/33/75/25/572337525.db2.gz VUAUAUQXRPSNDV-GHMZBOCLSA-N 1 0 199.338 2.927 10 0 AFAERO CC[C@H]1[NH2+]CCc2c(C)cc(F)cc21 52095407 572335036 /nfs/dbraw/zinc/33/50/36/572335036.db2.gz ANTVBPIVCJRMNS-GFCCVEGCSA-N 1 0 193.265 2.731 10 0 AFAERO Cc1cccc(C[C@@H]([NH3+])C2CCC2)c1 52127075 572335101 /nfs/dbraw/zinc/33/51/01/572335101.db2.gz RCHBDILNSMUXLK-CYBMUJFWSA-N 1 0 189.302 2.665 10 0 AFAERO CCC[NH2+]CC1(CCOCC)CCC1 83570719 572337937 /nfs/dbraw/zinc/33/79/37/572337937.db2.gz BAFFTYDVCSMBDI-UHFFFAOYSA-N 1 0 199.338 2.583 10 0 AFAERO CC(C)[C@@H]1[NH2+]CCc2c(F)cccc21 52095578 572335131 /nfs/dbraw/zinc/33/51/31/572335131.db2.gz LDXAXUUSWQQIPM-LBPRGKRZSA-N 1 0 193.265 2.669 10 0 AFAERO CC[C@@H]1[NH2+]CCc2c(C)cc(F)cc21 52095408 572335174 /nfs/dbraw/zinc/33/51/74/572335174.db2.gz ANTVBPIVCJRMNS-LBPRGKRZSA-N 1 0 193.265 2.731 10 0 AFAERO C=C/C=C/CC[C@H]([NH2+]C)[C@@H](C)OCC 713678736 572335273 /nfs/dbraw/zinc/33/52/73/572335273.db2.gz LZSLONZXAYOBKG-LASXONHFSA-N 1 0 197.322 2.522 10 0 AFAERO C[NH2+][C@H](C)c1ncc([C@H](C)C(C)C)o1 83556289 572335281 /nfs/dbraw/zinc/33/52/81/572335281.db2.gz CNOCIUWDQSJEHY-RKDXNWHRSA-N 1 0 196.294 2.715 10 0 AFAERO CCC[NH2+][C@H](C)c1ncc(C2CC2)o1 83556651 572335355 /nfs/dbraw/zinc/33/53/55/572335355.db2.gz PUSVWEQFQGVOCJ-MRVPVSSYSA-N 1 0 194.278 2.613 10 0 AFAERO C[NH2+][C@@H](C)c1ncc([C@H](C)C(C)C)o1 83556293 572335431 /nfs/dbraw/zinc/33/54/31/572335431.db2.gz CNOCIUWDQSJEHY-BDAKNGLRSA-N 1 0 196.294 2.715 10 0 AFAERO CCC[C@@H](C)c1cnc([C@H](C)[NH2+]C)o1 83556073 572335463 /nfs/dbraw/zinc/33/54/63/572335463.db2.gz KFIKAPLFNGIXHN-BDAKNGLRSA-N 1 0 196.294 2.859 10 0 AFAERO CCCCc1cnc(C[NH2+]C(C)C)o1 83555654 572335507 /nfs/dbraw/zinc/33/55/07/572335507.db2.gz NKQXOAWVPOJOON-UHFFFAOYSA-N 1 0 196.294 2.515 10 0 AFAERO CC[C@@H](C)c1cnc(C[NH2+]C(C)C)o1 83555648 572335531 /nfs/dbraw/zinc/33/55/31/572335531.db2.gz RMCPTHRFVHMZRM-SECBINFHSA-N 1 0 196.294 2.686 10 0 AFAERO CCC[NH2+]Cc1ncc([C@H](C)CC)o1 83555533 572335542 /nfs/dbraw/zinc/33/55/42/572335542.db2.gz LRRCNUGMYLSXNV-SECBINFHSA-N 1 0 196.294 2.688 10 0 AFAERO CCC[C@H](C)c1cnc([C@H](C)[NH2+]C)o1 83556074 572335553 /nfs/dbraw/zinc/33/55/53/572335553.db2.gz KFIKAPLFNGIXHN-IUCAKERBSA-N 1 0 196.294 2.859 10 0 AFAERO C[NH2+][C@@H](C)c1ncc([C@@H](C)C(C)C)o1 83556295 572335565 /nfs/dbraw/zinc/33/55/65/572335565.db2.gz CNOCIUWDQSJEHY-IUCAKERBSA-N 1 0 196.294 2.715 10 0 AFAERO CC[NH2+][C@H](C)c1ncc([C@@H](C)CC)o1 83556383 572335597 /nfs/dbraw/zinc/33/55/97/572335597.db2.gz BNXMLYHYOJUSKA-DTWKUNHWSA-N 1 0 196.294 2.859 10 0 AFAERO CCCCc1cnc(C[NH2+]CCC)o1 83555537 572335627 /nfs/dbraw/zinc/33/56/27/572335627.db2.gz NFDXLBSZDOQYRC-UHFFFAOYSA-N 1 0 196.294 2.517 10 0 AFAERO CC[NH2+][C@H](C)c1ncc(C(C)(C)C)o1 83556407 572335664 /nfs/dbraw/zinc/33/56/64/572335664.db2.gz BUJSXEKYTJVVAM-MRVPVSSYSA-N 1 0 196.294 2.643 10 0 AFAERO C[NH2+][C@H](C)c1ncc(CCC(C)C)o1 83556028 572335709 /nfs/dbraw/zinc/33/57/09/572335709.db2.gz ZIRIWZWIKLVYRM-SECBINFHSA-N 1 0 196.294 2.544 10 0 AFAERO CCCCc1cnc([C@@H](C)[NH2+]CC)o1 83556492 572335718 /nfs/dbraw/zinc/33/57/18/572335718.db2.gz IDUPEKAOWIKIQB-SECBINFHSA-N 1 0 196.294 2.688 10 0 AFAERO C/C(=C/Cl)C[NH2+]C[C@@H](C)C1CC1 307981813 572335784 /nfs/dbraw/zinc/33/57/84/572335784.db2.gz PKSRDERJFROGRL-BZJXQOFCSA-N 1 0 187.714 2.765 10 0 AFAERO CCCC[C@H](C[NH3+])c1c(C)noc1C 77296069 572335797 /nfs/dbraw/zinc/33/57/97/572335797.db2.gz OPAWOPGUZIDVAS-SNVBAGLBSA-N 1 0 196.294 2.524 10 0 AFAERO CCCc1cnc(C[NH2+]C(C)(C)C)o1 83555819 572335808 /nfs/dbraw/zinc/33/58/08/572335808.db2.gz IHIICJCEZXZUTD-UHFFFAOYSA-N 1 0 196.294 2.515 10 0 AFAERO CC[C@H]1Cc2c(C)cc(F)cc2[C@H]1[NH3+] 714372805 572335867 /nfs/dbraw/zinc/33/58/67/572335867.db2.gz QXTNEJFRVNSZPJ-UFBFGSQYSA-N 1 0 193.265 2.716 10 0 AFAERO C[C@@H]1CC[C@@](C[NH3+])(c2cccs2)C1 77295900 572335875 /nfs/dbraw/zinc/33/58/75/572335875.db2.gz HGFUWBRWYCTCCJ-MWLCHTKSSA-N 1 0 195.331 2.765 10 0 AFAERO CCC[NH2+][C@H](C)c1ncc(CCC)o1 83556617 572335915 /nfs/dbraw/zinc/33/59/15/572335915.db2.gz OKFOCXZDHVMPGA-SECBINFHSA-N 1 0 196.294 2.688 10 0 AFAERO CC[C@@H]1Cc2c(ccc(C)c2C)[C@H]1[NH3+] 714372731 572335944 /nfs/dbraw/zinc/33/59/44/572335944.db2.gz PTDCVQYTDGXRIY-MFKMUULPSA-N 1 0 189.302 2.886 10 0 AFAERO C[NH2+][C@@H](C)c1ncc(CCC(C)C)o1 83556030 572336018 /nfs/dbraw/zinc/33/60/18/572336018.db2.gz ZIRIWZWIKLVYRM-VIFPVBQESA-N 1 0 196.294 2.544 10 0 AFAERO CCC[NH2+][C@@H](C)c1ncc(CCC)o1 83556619 572336023 /nfs/dbraw/zinc/33/60/23/572336023.db2.gz OKFOCXZDHVMPGA-VIFPVBQESA-N 1 0 196.294 2.688 10 0 AFAERO CC(C)C[NH2+]Cc1ncc(C(C)C)o1 83555874 572336029 /nfs/dbraw/zinc/33/60/29/572336029.db2.gz ZQUNTQXMWCTIIF-UHFFFAOYSA-N 1 0 196.294 2.544 10 0 AFAERO CC(C)C[C@](C)(C[NH3+])c1ccco1 107169896 572336054 /nfs/dbraw/zinc/33/60/54/572336054.db2.gz AUQKQVGAYGMTSP-LLVKDONJSA-N 1 0 181.279 2.542 10 0 AFAERO C[C@@H]1SCCC[C@H]1[NH2+]CCC1CC1 86945501 572336082 /nfs/dbraw/zinc/33/60/82/572336082.db2.gz LFZZLBQNWGDMIK-GXSJLCMTSA-N 1 0 199.363 2.660 10 0 AFAERO Cc1cc(C[NH2+]C2CCC2)ccc1F 52208674 572336097 /nfs/dbraw/zinc/33/60/97/572336097.db2.gz JNOROARHYHZILJ-UHFFFAOYSA-N 1 0 193.265 2.776 10 0 AFAERO CCC[NH2+]CC1(CCCOC)CCC1 83570814 572336880 /nfs/dbraw/zinc/33/68/80/572336880.db2.gz CKWXSGCRPDFSEW-UHFFFAOYSA-N 1 0 199.338 2.583 10 0 AFAERO CCC(C)(C)c1cnc([C@@H](C)[NH2+]C)o1 83556043 572336214 /nfs/dbraw/zinc/33/62/14/572336214.db2.gz CSRYPTAPBPCGKY-MRVPVSSYSA-N 1 0 196.294 2.643 10 0 AFAERO CC(C)[NH2+]CC1(CC(F)F)CCC1 317455112 572336241 /nfs/dbraw/zinc/33/62/41/572336241.db2.gz WOJLMMJESFGNRF-UHFFFAOYSA-N 1 0 191.265 2.810 10 0 AFAERO CC(C)(C[NH3+])CCc1cccc(F)c1 77295872 572336253 /nfs/dbraw/zinc/33/62/53/572336253.db2.gz ONOKDUVDWRFLTM-UHFFFAOYSA-N 1 0 195.281 2.743 10 0 AFAERO CCCC[C@@H](CC)SC(N)=[NH2+] 238208164 572336302 /nfs/dbraw/zinc/33/63/02/572336302.db2.gz 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Cc1ncsc1[C@H](C)[NH2+][C@@H]1C[C@@H]1C 52274769 572336599 /nfs/dbraw/zinc/33/65/99/572336599.db2.gz LBHCPTQFNUGHEU-CNUIFLNQSA-N 1 0 196.319 2.511 10 0 AFAERO C[NH2+][C@@H](C)c1ncc(CC(C)(C)C)o1 83556326 572336602 /nfs/dbraw/zinc/33/66/02/572336602.db2.gz GBQGFSRRIBKYPZ-QMMMGPOBSA-N 1 0 196.294 2.544 10 0 AFAERO CC[NH2+][C@@H](C)c1ncc(CC(C)C)o1 83556420 572336632 /nfs/dbraw/zinc/33/66/32/572336632.db2.gz BGDZMMNAZDWSEQ-VIFPVBQESA-N 1 0 196.294 2.544 10 0 AFAERO Cc1ncsc1[C@@H](C)[NH2+]C1CCC1 52208593 572336656 /nfs/dbraw/zinc/33/66/56/572336656.db2.gz BOOOLHLBAGSKCK-MRVPVSSYSA-N 1 0 196.319 2.655 10 0 AFAERO CC[C@@H]1[C@H](C)c2ccc(F)cc2[C@H]1[NH3+] 714372701 572337938 /nfs/dbraw/zinc/33/79/38/572337938.db2.gz PKNKWFLNHXCSHH-VMAXQDLPSA-N 1 0 193.265 2.969 10 0 AFAERO CCC[NH2+]C[C@@H]1C[C@]12CS[C@@H](C)C2 86940846 572336822 /nfs/dbraw/zinc/33/68/22/572336822.db2.gz YINFWYWGWOKOJV-GARJFASQSA-N 1 0 199.363 2.518 10 0 AFAERO C[C@H]1CC[C@@](C[NH3+])(c2cccs2)C1 77295901 572336870 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CC1(C/C=C\CC[NH3+])CCCC1 308005550 572379366 /nfs/dbraw/zinc/37/93/66/572379366.db2.gz DBBGIWBTMOKBRN-IHWYPQMZSA-N 1 0 167.296 2.862 10 0 AFAERO CCC(CC)O[C@@H]1CCCC[C@H]1C[NH3+] 87158087 572379471 /nfs/dbraw/zinc/37/94/71/572379471.db2.gz KNOCMPHYVLDHCD-CMPLNLGQSA-N 1 0 199.338 2.709 10 0 AFAERO CCC(CC)OCC([NH3+])(CC)CC 87158067 572379477 /nfs/dbraw/zinc/37/94/77/572379477.db2.gz BPNJLTLWWXEFNY-UHFFFAOYSA-N 1 0 187.327 2.709 10 0 AFAERO CCC(CC)[N@@H+]1CCCC[C@@H]1C(C)=O 87157318 572379533 /nfs/dbraw/zinc/37/95/33/572379533.db2.gz ORXYJHQJDXVZFV-GFCCVEGCSA-N 1 0 197.322 2.619 10 0 AFAERO CCC(CC)SC[C@@H]([NH3+])CC 87157658 572379574 /nfs/dbraw/zinc/37/95/74/572379574.db2.gz YKSGYELAZXUBRJ-QMMMGPOBSA-N 1 0 175.341 2.646 10 0 AFAERO CCC(CC)O[C@@]1(C[NH3+])CC[C@@H](C)C1 87155795 572379755 /nfs/dbraw/zinc/37/97/55/572379755.db2.gz VDINLELFOOKSAV-PWSUYJOCSA-N 1 0 199.338 2.709 10 0 AFAERO CCCC[C@H]([NH3+])c1ccc(NC)cc1 238222948 572379812 /nfs/dbraw/zinc/37/98/12/572379812.db2.gz CWCQTMVNBXTNLL-LBPRGKRZSA-N 1 0 192.306 2.918 10 0 AFAERO CCC(CC)OC[C@H]1CCC[C@@H]1C[NH3+] 87158101 572379845 /nfs/dbraw/zinc/37/98/45/572379845.db2.gz CMYNBECDHPYWRP-GHMZBOCLSA-N 1 0 199.338 2.567 10 0 AFAERO CCC(CC)[C@H](C[NH3+])SC(C)C 87156320 572379870 /nfs/dbraw/zinc/37/98/70/572379870.db2.gz ICGGAMKRBASDTI-JTQLQIEISA-N 1 0 189.368 2.892 10 0 AFAERO CCCS[C@@H](C[NH3+])C(CC)CC 87156313 572379875 /nfs/dbraw/zinc/37/98/75/572379875.db2.gz RLCZOBIOHIEZJK-JTQLQIEISA-N 1 0 189.368 2.893 10 0 AFAERO CCC(CC)SCC[C@@H](C)[NH3+] 87157644 572379902 /nfs/dbraw/zinc/37/99/02/572379902.db2.gz LPQWLWHUTQDJPQ-MRVPVSSYSA-N 1 0 175.341 2.646 10 0 AFAERO CCC(CC)[N@@H+]1CCC[C@@H]1CC(C)=O 87157329 572379920 /nfs/dbraw/zinc/37/99/20/572379920.db2.gz VARFDRARCNCVOE-GFCCVEGCSA-N 1 0 197.322 2.619 10 0 AFAERO CC1=C([C@@H]2CC[NH2+]2)C(C)(C)CCC1 44257835 572379960 /nfs/dbraw/zinc/37/99/60/572379960.db2.gz QDXZRDVNTYZYGL-JTQLQIEISA-N 1 0 179.307 2.875 10 0 AFAERO C[C@@H](C1CCCC1)[C@@H](C)[NH2+]C1CC1 87145286 572379972 /nfs/dbraw/zinc/37/99/72/572379972.db2.gz DJAPXBNVQKNECV-NXEZZACHSA-N 1 0 181.323 2.953 10 0 AFAERO CCC(CC)O[C@]1(C[NH3+])CC[C@H](C)C1 87155789 572380148 /nfs/dbraw/zinc/38/01/48/572380148.db2.gz VDINLELFOOKSAV-CMPLNLGQSA-N 1 0 199.338 2.709 10 0 AFAERO CCNC(=[NH2+])C(C(C)C)C(C)C 308005354 572380161 /nfs/dbraw/zinc/38/01/61/572380161.db2.gz LALJPOOVOMZURR-UHFFFAOYSA-N 1 0 170.300 2.501 10 0 AFAERO C[C@@H]([NH2+]C1CC1)[C@@H](C)c1cccs1 87145270 572380179 /nfs/dbraw/zinc/38/01/79/572380179.db2.gz QXIJSAIOCFWTHP-RKDXNWHRSA-N 1 0 195.331 2.992 10 0 AFAERO C[C@H](c1cccs1)[C@@H](C)[NH2+]C1CC1 87145272 572380186 /nfs/dbraw/zinc/38/01/86/572380186.db2.gz QXIJSAIOCFWTHP-DTWKUNHWSA-N 1 0 195.331 2.992 10 0 AFAERO C/C(=C\CC[NH3+])[C@H](C)CC(C)C 308005349 572380198 /nfs/dbraw/zinc/38/01/98/572380198.db2.gz LAIXBDYYNLVVNV-CDCCAWJDSA-N 1 0 169.312 2.964 10 0 AFAERO [NH3+]CC/C=C\C[C@@H]1CCC(F)(F)C1 308005849 572380202 /nfs/dbraw/zinc/38/02/02/572380202.db2.gz BEXSWXSMJPKNOJ-JKERVTFKSA-N 1 0 189.249 2.717 10 0 AFAERO CCC(CC)OC(CC)(CC)C[NH3+] 87155762 572380234 /nfs/dbraw/zinc/38/02/34/572380234.db2.gz KLNGSEKEHHYTIM-UHFFFAOYSA-N 1 0 187.327 2.709 10 0 AFAERO CCC(CC)[N@@H+]1CCC[C@H]1CC(C)=O 87157331 572380240 /nfs/dbraw/zinc/38/02/40/572380240.db2.gz VARFDRARCNCVOE-LBPRGKRZSA-N 1 0 197.322 2.619 10 0 AFAERO CCC(CC)OC[C@@H]1CCC[C@@H]1C[NH3+] 87158100 572380290 /nfs/dbraw/zinc/38/02/90/572380290.db2.gz CMYNBECDHPYWRP-MNOVXSKESA-N 1 0 199.338 2.567 10 0 AFAERO CC1(C/C=C/CC[NH3+])CCCC1 308005556 572380315 /nfs/dbraw/zinc/38/03/15/572380315.db2.gz DBBGIWBTMOKBRN-NSCUHMNNSA-N 1 0 167.296 2.862 10 0 AFAERO CCC(CC)OCC[C@@H]1CCCC[NH2+]1 87158041 572380340 /nfs/dbraw/zinc/38/03/40/572380340.db2.gz LRINYMAIHARYJQ-NSHDSACASA-N 1 0 199.338 2.724 10 0 AFAERO CCC(CC)OCC1([NH3+])CCCCC1 87158066 572380386 /nfs/dbraw/zinc/38/03/86/572380386.db2.gz JPLDGEFXEAKEFB-UHFFFAOYSA-N 1 0 199.338 2.853 10 0 AFAERO CCCOC[C@H]([NH3+])CCC(C)(C)C 60701825 572380477 /nfs/dbraw/zinc/38/04/77/572380477.db2.gz HQPORVSOBQHIRV-SNVBAGLBSA-N 1 0 187.327 2.567 10 0 AFAERO CCC(CC)Nc1ccccc1C[NH3+] 87155895 572380509 /nfs/dbraw/zinc/38/05/09/572380509.db2.gz NVHIVAILHLQMOE-UHFFFAOYSA-N 1 0 192.306 2.746 10 0 AFAERO CC[C@@H]1C[NH2+][C@@H]1C1CCCCC1 44257754 572380579 /nfs/dbraw/zinc/38/05/79/572380579.db2.gz YDSZAXJXKFMDBY-KOLCDFICSA-N 1 0 167.296 2.565 10 0 AFAERO CC[C@H]1C[NH2+][C@H]1C1CCCCC1 44257766 572380637 /nfs/dbraw/zinc/38/06/37/572380637.db2.gz YDSZAXJXKFMDBY-GXSJLCMTSA-N 1 0 167.296 2.565 10 0 AFAERO CC(C)[NH2+]CC1(C(C)C)CCC1 87155524 572380641 /nfs/dbraw/zinc/38/06/41/572380641.db2.gz NFLLEFFZERIXIL-UHFFFAOYSA-N 1 0 169.312 2.811 10 0 AFAERO CCC(CC)[C@@H](C[NH3+])SC(C)C 87156318 572380764 /nfs/dbraw/zinc/38/07/64/572380764.db2.gz ICGGAMKRBASDTI-SNVBAGLBSA-N 1 0 189.368 2.892 10 0 AFAERO CCC(CC)OC[C@H]1CCC[C@H]1C[NH3+] 87158105 572380779 /nfs/dbraw/zinc/38/07/79/572380779.db2.gz CMYNBECDHPYWRP-WDEREUQCSA-N 1 0 199.338 2.567 10 0 AFAERO [NH3+]C1(CCCCCF)CCCC1 308005435 572380783 /nfs/dbraw/zinc/38/07/83/572380783.db2.gz LJFXUPZICDCJMV-UHFFFAOYSA-N 1 0 173.275 2.788 10 0 AFAERO CCC(CC)OC1(C[NH3+])CCCCC1 87155767 572380784 /nfs/dbraw/zinc/38/07/84/572380784.db2.gz HJLKXPUWYCFKEQ-UHFFFAOYSA-N 1 0 199.338 2.853 10 0 AFAERO C[NH2+][C@@H](C=C(C)C)c1cnc(C)s1 234429955 572380817 /nfs/dbraw/zinc/38/08/17/572380817.db2.gz YCLHZBXXNUUICZ-VIFPVBQESA-N 1 0 196.319 2.678 10 0 AFAERO CCC(CC)Nc1ccc(C[NH3+])cc1 87155890 572380864 /nfs/dbraw/zinc/38/08/64/572380864.db2.gz ZGYDLLGDWYHJAJ-UHFFFAOYSA-N 1 0 192.306 2.746 10 0 AFAERO CCC(CC)Oc1ccc(C[NH3+])cc1 87155743 572380883 /nfs/dbraw/zinc/38/08/83/572380883.db2.gz QORUQDHRTBPNFR-UHFFFAOYSA-N 1 0 193.290 2.713 10 0 AFAERO CC[C@@](C)(C[NH2+]C1CC1)C(C)C 87155460 572380893 /nfs/dbraw/zinc/38/08/93/572380893.db2.gz XWLXHEDTLBMXIX-NSHDSACASA-N 1 0 169.312 2.811 10 0 AFAERO CCC(CC)O[C@H]1CCCC[C@@H]1C[NH3+] 87158085 572380920 /nfs/dbraw/zinc/38/09/20/572380920.db2.gz KNOCMPHYVLDHCD-PWSUYJOCSA-N 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/nfs/dbraw/zinc/38/12/36/572381236.db2.gz DRBBDRKPJCDHDL-RKDXNWHRSA-N 1 0 195.331 2.992 10 0 AFAERO C[C@H]([NH2+]C1CC1)[C@H](C)c1cccs1 87145275 572381285 /nfs/dbraw/zinc/38/12/85/572381285.db2.gz QXIJSAIOCFWTHP-IUCAKERBSA-N 1 0 195.331 2.992 10 0 AFAERO CCC(CC)OCC[C@H]1CCC[NH2+]C1 87158057 572381320 /nfs/dbraw/zinc/38/13/20/572381320.db2.gz NFMYBUIGHXFJAV-LLVKDONJSA-N 1 0 199.338 2.581 10 0 AFAERO C/C(=C/CC[NH3+])[C@H](C)CC(C)C 308005352 572381357 /nfs/dbraw/zinc/38/13/57/572381357.db2.gz LAIXBDYYNLVVNV-SDKXAQGSSA-N 1 0 169.312 2.964 10 0 AFAERO CCC(CC)OC[C@@H]1CCC[C@H]1C[NH3+] 87158103 572381391 /nfs/dbraw/zinc/38/13/91/572381391.db2.gz CMYNBECDHPYWRP-QWRGUYRKSA-N 1 0 199.338 2.567 10 0 AFAERO C/C(=C/CC[NH3+])[C@@H](C)CC(C)C 308005353 572381451 /nfs/dbraw/zinc/38/14/51/572381451.db2.gz LAIXBDYYNLVVNV-YAEJEKNGSA-N 1 0 169.312 2.964 10 0 AFAERO CCS[C@H](C[NH3+])C(CC)CC 87156310 572381539 /nfs/dbraw/zinc/38/15/39/572381539.db2.gz IPUOFBBEBVXCRE-SECBINFHSA-N 1 0 175.341 2.503 10 0 AFAERO [NH3+]CCCc1cc2ccccc2s1 44279933 572381556 /nfs/dbraw/zinc/38/15/56/572381556.db2.gz FWVAYZQBCVAGDI-UHFFFAOYSA-N 1 0 191.299 2.793 10 0 AFAERO CCC(CC)OCC[C@H]1CCCC[NH2+]1 87158043 572381653 /nfs/dbraw/zinc/38/16/53/572381653.db2.gz LRINYMAIHARYJQ-LLVKDONJSA-N 1 0 199.338 2.724 10 0 AFAERO CCC(CC)O[C@]1(C[NH3+])CC[C@@H](C)C1 87155793 572381748 /nfs/dbraw/zinc/38/17/48/572381748.db2.gz VDINLELFOOKSAV-ZYHUDNBSSA-N 1 0 199.338 2.709 10 0 AFAERO C[C@H]([NH2+]C1CC1)[C@@H](C)c1ccsc1 87145369 572381809 /nfs/dbraw/zinc/38/18/09/572381809.db2.gz DRBBDRKPJCDHDL-BDAKNGLRSA-N 1 0 195.331 2.992 10 0 AFAERO C[C@H]([NH2+]C1CC1)[C@@H](C)C1CCCC1 87145290 572381826 /nfs/dbraw/zinc/38/18/26/572381826.db2.gz DJAPXBNVQKNECV-ZJUUUORDSA-N 1 0 181.323 2.953 10 0 AFAERO CCC(CC)[N@H+](C)C1CCC(=O)CC1 87157323 572381835 /nfs/dbraw/zinc/38/18/35/572381835.db2.gz PHHJOGDUJWOUCK-UHFFFAOYSA-N 1 0 197.322 2.619 10 0 AFAERO CC[C@H](C)SC1(C[NH3+])CC=CC1 83740600 572381954 /nfs/dbraw/zinc/38/19/54/572381954.db2.gz 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/nfs/dbraw/zinc/39/51/31/572395131.db2.gz ZDYFLOAQVOIALW-NSHDSACASA-N 1 0 169.312 2.811 10 0 AFAERO CCC(CC)[C@@]1(CC)CCC[NH2+]1 87170976 572395133 /nfs/dbraw/zinc/39/51/33/572395133.db2.gz FEKKXQWECMYXMG-LLVKDONJSA-N 1 0 169.312 2.955 10 0 AFAERO CCC(CC)C(=O)[C@@](C)(CC)[NH+](C)C 87169395 572395193 /nfs/dbraw/zinc/39/51/93/572395193.db2.gz YPLXVGITGJIKPR-GFCCVEGCSA-N 1 0 199.338 2.722 10 0 AFAERO CCC(CC)[C@H](C[C@@H]1CCCO1)[NH2+]C 87169948 572395202 /nfs/dbraw/zinc/39/52/02/572395202.db2.gz WUVOXUSVBUJHSR-RYUDHWBXSA-N 1 0 199.338 2.580 10 0 AFAERO CCC(CC)[C@H]([NH3+])c1ccc(F)cn1 87171284 572395870 /nfs/dbraw/zinc/39/58/70/572395870.db2.gz YNOPKOVNFQMCRZ-NSHDSACASA-N 1 0 196.269 2.657 10 0 AFAERO CCC(CC)[C@@H]([NH3+])c1ccc(F)cn1 87171286 572395538 /nfs/dbraw/zinc/39/55/38/572395538.db2.gz YNOPKOVNFQMCRZ-LLVKDONJSA-N 1 0 196.269 2.657 10 0 AFAERO CCC(CC)[C@H]([NH3+])c1cc(C)ccn1 87170369 572395573 /nfs/dbraw/zinc/39/55/73/572395573.db2.gz RARYGDBESOMNIY-LBPRGKRZSA-N 1 0 192.306 2.826 10 0 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572396357 /nfs/dbraw/zinc/39/63/57/572396357.db2.gz KRVMZFFTUVOSFD-LBPRGKRZSA-N 1 0 192.306 2.826 10 0 AFAERO CCC(C)(C)C[C@@H]1CCC[C@H]1[NH3+] 713246790 572396424 /nfs/dbraw/zinc/39/64/24/572396424.db2.gz HJNUFRWOAIYRMF-VHSXEESVSA-N 1 0 169.312 2.940 10 0 AFAERO CCC(CC)[C@@H]([NH3+])CC(C)C 87169857 572396428 /nfs/dbraw/zinc/39/64/28/572396428.db2.gz YQCDEUBHNHLTPN-JTQLQIEISA-N 1 0 157.301 2.796 10 0 AFAERO CCC(CC)[C@H](CC(F)(F)F)[NH2+]C 87170090 572396466 /nfs/dbraw/zinc/39/64/66/572396466.db2.gz TXDIZQDLGWLEAR-QMMMGPOBSA-N 1 0 197.244 2.963 10 0 AFAERO CCC(CC)[C@H]([NH3+])CC(F)(F)F 87170085 572396521 /nfs/dbraw/zinc/39/65/21/572396521.db2.gz ADQDHZNPGGBAGL-SSDOTTSWSA-N 1 0 183.217 2.702 10 0 AFAERO CC(C)OCCCC1([NH3+])CC(C)(C)C1 689629690 572396524 /nfs/dbraw/zinc/39/65/24/572396524.db2.gz OWPPDSWSLHFTCA-UHFFFAOYSA-N 1 0 199.338 2.709 10 0 AFAERO CCC(CC)[C@@H]([NH3+])c1cc(C)ccn1 87170370 572396639 /nfs/dbraw/zinc/39/66/39/572396639.db2.gz RARYGDBESOMNIY-GFCCVEGCSA-N 1 0 192.306 2.826 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572417827 /nfs/dbraw/zinc/41/78/27/572417827.db2.gz ZVAXLKYBKZNJHG-SNVBAGLBSA-N 1 0 169.312 2.811 10 0 AFAERO C[NH2+][C@@H](CC1CCC1)CC(F)(F)F 83841220 572418725 /nfs/dbraw/zinc/41/87/25/572418725.db2.gz MHCAUEDRVDYXLH-QMMMGPOBSA-N 1 0 195.228 2.717 10 0 AFAERO C[NH2+][C@H](CC1CCC1)CC(F)(F)F 83841221 572418728 /nfs/dbraw/zinc/41/87/28/572418728.db2.gz MHCAUEDRVDYXLH-MRVPVSSYSA-N 1 0 195.228 2.717 10 0 AFAERO CC(C)(C)C[C@@H]([NH3+])CC1CCC1 83841455 572417948 /nfs/dbraw/zinc/41/79/48/572417948.db2.gz VGFNHXZRXHCRKB-JTQLQIEISA-N 1 0 169.312 2.940 10 0 AFAERO CC(C)[NH2+]C[C@@H]1C[C@@]1(C)c1ccoc1 87307554 572418119 /nfs/dbraw/zinc/41/81/19/572418119.db2.gz JKPYHLDQSCBJFM-RYUDHWBXSA-N 1 0 193.290 2.555 10 0 AFAERO CCCSC[C@@H]([NH3+])CC1CCC1 83841556 572418017 /nfs/dbraw/zinc/41/80/17/572418017.db2.gz WHOUYOCECBLKMF-JTQLQIEISA-N 1 0 187.352 2.647 10 0 AFAERO CC[NH2+][C@@H](CC)CC1CCC1 83841142 572418071 /nfs/dbraw/zinc/41/80/71/572418071.db2.gz NIIPYYLNCKCLAY-JTQLQIEISA-N 1 0 155.285 2.565 10 0 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LGACLXRIFQTHLM-SNVBAGLBSA-N 1 0 187.352 2.518 10 0 AFAERO Cc1ccc(CN2CCCCC2=[NH2+])o1 53038972 572418223 /nfs/dbraw/zinc/41/82/23/572418223.db2.gz MWBIGWOQHRSMOC-UHFFFAOYSA-N 1 0 192.262 2.551 10 0 AFAERO C[NH2+][C@H](CC1CCC1)c1ccoc1 83841480 572418735 /nfs/dbraw/zinc/41/87/35/572418735.db2.gz YNKFZSAVAOQWHW-LLVKDONJSA-N 1 0 179.263 2.730 10 0 AFAERO CCC[NH2+]C[C@@H]1C[C@]1(C)c1ccoc1 87307550 572418260 /nfs/dbraw/zinc/41/82/60/572418260.db2.gz GUYIIOWFAYTIQZ-NWDGAFQWSA-N 1 0 193.290 2.557 10 0 AFAERO CC(C)CC[C@H]([NH3+])CC1CCC1 83841248 572418287 /nfs/dbraw/zinc/41/82/87/572418287.db2.gz ZNUJIVQMUQRXJW-NSHDSACASA-N 1 0 169.312 2.940 10 0 AFAERO Cc1cc(Cl)ccc1C[C@@H](C)[NH3+] 44460933 572418356 /nfs/dbraw/zinc/41/83/56/572418356.db2.gz MBNCMYHJDJQMMS-MRVPVSSYSA-N 1 0 183.682 2.538 10 0 AFAERO CC[NH2+][C@H](CC)CC1CCC1 83841143 572418414 /nfs/dbraw/zinc/41/84/14/572418414.db2.gz NIIPYYLNCKCLAY-SNVBAGLBSA-N 1 0 155.285 2.565 10 0 AFAERO CC[NH2+][C@H](CC1CCC1)[C@@H](C)OCC 83841510 572418746 /nfs/dbraw/zinc/41/87/46/572418746.db2.gz PMYQUVMBXFIYJW-ZYHUDNBSSA-N 1 0 199.338 2.580 10 0 AFAERO CCC(=[NH2+])NCc1sccc1CC 87311447 572418496 /nfs/dbraw/zinc/41/84/96/572418496.db2.gz QKCFXIMKQTUPMC-UHFFFAOYSA-N 1 0 196.319 2.787 10 0 AFAERO CC[NH2+][C@H](CC1CCC1)C1CCC1 83841528 572418594 /nfs/dbraw/zinc/41/85/94/572418594.db2.gz OOIYGXFGCRDNNU-GFCCVEGCSA-N 1 0 181.323 2.955 10 0 AFAERO CC(C)CC[C@@H]([NH3+])CC1CCC1 83841249 572418645 /nfs/dbraw/zinc/41/86/45/572418645.db2.gz ZNUJIVQMUQRXJW-LLVKDONJSA-N 1 0 169.312 2.940 10 0 AFAERO CC[NH2+][C@H](CSC)CC1CCC1 83841368 572418653 /nfs/dbraw/zinc/41/86/53/572418653.db2.gz LGACLXRIFQTHLM-JTQLQIEISA-N 1 0 187.352 2.518 10 0 AFAERO CCC[C@H](CC1CCC1)[NH2+]CC 83841163 572418674 /nfs/dbraw/zinc/41/86/74/572418674.db2.gz ICWCSQHTJMFFQR-LLVKDONJSA-N 1 0 169.312 2.955 10 0 AFAERO CC[NH2+][C@@H](CC1CCC1)C1CCC1 83841527 572418692 /nfs/dbraw/zinc/41/86/92/572418692.db2.gz OOIYGXFGCRDNNU-LBPRGKRZSA-N 1 0 181.323 2.955 10 0 AFAERO CCOc1cccc([C@@](C)([NH3+])CC)c1 87334141 572418986 /nfs/dbraw/zinc/41/89/86/572418986.db2.gz PUXKQACYHGFSMT-LBPRGKRZSA-N 1 0 193.290 2.669 10 0 AFAERO CC(C)([NH3+])C12CCC(CC1)CC2 44460193 572418893 /nfs/dbraw/zinc/41/88/93/572418893.db2.gz AICWGVRNIDFESQ-UHFFFAOYSA-N 1 0 167.296 2.694 10 0 AFAERO CCCOC[C@H](CC1CCC1)[NH2+]CC 83841293 572418914 /nfs/dbraw/zinc/41/89/14/572418914.db2.gz ZRWRBCXJQLSGAL-LBPRGKRZSA-N 1 0 199.338 2.581 10 0 AFAERO C[NH2+][C@H](CC(C)C)CC1CCC1 83841111 572419010 /nfs/dbraw/zinc/41/90/10/572419010.db2.gz VGMSNWNMVOACHP-LLVKDONJSA-N 1 0 169.312 2.811 10 0 AFAERO [NH3+][C@@H](Cc1cccs1)CC1CCC1 83841330 572419024 /nfs/dbraw/zinc/41/90/24/572419024.db2.gz MVSFZYUZVFTKAI-SNVBAGLBSA-N 1 0 195.331 2.808 10 0 AFAERO CC[NH2+][C@@H](CC1CCC1)[C@@H](C)OCC 83841509 572419212 /nfs/dbraw/zinc/41/92/12/572419212.db2.gz PMYQUVMBXFIYJW-PWSUYJOCSA-N 1 0 199.338 2.580 10 0 AFAERO CC[NH2+][C@@H](CC1CCC1)C1CC1 83841168 572419219 /nfs/dbraw/zinc/41/92/19/572419219.db2.gz 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/nfs/dbraw/zinc/41/94/31/572419431.db2.gz QDMOROYGNCHSFD-LLVKDONJSA-N 1 0 167.296 2.565 10 0 AFAERO C[NH2+]CC12CCC(C)(CC1)CC2 44460230 572419450 /nfs/dbraw/zinc/41/94/50/572419450.db2.gz FMBQBCOKJZBHEL-UHFFFAOYSA-N 1 0 167.296 2.566 10 0 AFAERO CCOc1cccc([C@H](C)[C@H](C)[NH3+])c1 87334706 572419452 /nfs/dbraw/zinc/41/94/52/572419452.db2.gz SQSSNGBHWOWQKT-ZJUUUORDSA-N 1 0 193.290 2.536 10 0 AFAERO C[NH2+][C@@H](CC1CCC1)C1CCCC1 83841198 572419489 /nfs/dbraw/zinc/41/94/89/572419489.db2.gz NGAGOMIDEWKEFG-LBPRGKRZSA-N 1 0 181.323 2.955 10 0 AFAERO CCCSC[C@H]([NH3+])CC1CCC1 83841555 572419516 /nfs/dbraw/zinc/41/95/16/572419516.db2.gz WHOUYOCECBLKMF-SNVBAGLBSA-N 1 0 187.352 2.647 10 0 AFAERO C[NH+]1CCC2(CCCCC2)CC1 44460243 572419549 /nfs/dbraw/zinc/41/95/49/572419549.db2.gz UDURNMDEDOQZDH-UHFFFAOYSA-N 1 0 167.296 2.663 10 0 AFAERO C[NH2+][C@H](CC1CCC1)c1ccncc1 83841075 572419554 /nfs/dbraw/zinc/41/95/54/572419554.db2.gz GZSWMHSDJIDSIG-GFCCVEGCSA-N 1 0 190.290 2.532 10 0 AFAERO CC[NH2+][C@@H](CC1CCC1)C(C)C 83841124 572419563 /nfs/dbraw/zinc/41/95/63/572419563.db2.gz KCJDYRAZEIKXPU-NSHDSACASA-N 1 0 169.312 2.811 10 0 AFAERO CCOc1cccc([C@](C)([NH3+])CC)c1 87334143 572419592 /nfs/dbraw/zinc/41/95/92/572419592.db2.gz PUXKQACYHGFSMT-GFCCVEGCSA-N 1 0 193.290 2.669 10 0 AFAERO CCCC[C@H](CC)SC(N)=[NH2+] 238797800 572419635 /nfs/dbraw/zinc/41/96/35/572419635.db2.gz ZYSCWPRXCNMWKU-ZETCQYMHSA-N 1 0 174.313 2.582 10 0 AFAERO CC[C@@H](C)[C@@H](CC1CCC1)[NH2+]C 83841436 572419668 /nfs/dbraw/zinc/41/96/68/572419668.db2.gz WXPMTGVVLHCBAL-MWLCHTKSSA-N 1 0 169.312 2.811 10 0 AFAERO CC[NH2+][C@H](CC1CCC1)[C@H]1C[C@@H]1C 83841784 572419710 /nfs/dbraw/zinc/41/97/10/572419710.db2.gz ZPCFEFSSJYBMHS-ZMLRMANQSA-N 1 0 181.323 2.811 10 0 AFAERO CC(C)(C)C12C=CC([NH3+])(CC1)CC2 44460227 572419734 /nfs/dbraw/zinc/41/97/34/572419734.db2.gz SANHYQVVMUYNAO-UHFFFAOYSA-N 1 0 179.307 2.860 10 0 AFAERO C[NH2+][C@@H](CC1CCC1)C1CCC1 83841525 572419781 /nfs/dbraw/zinc/41/97/81/572419781.db2.gz DMCASHMQKTVOEI-NSHDSACASA-N 1 0 167.296 2.565 10 0 AFAERO CCC[NH2+][C@@H](CC)CC1CCC1 83841144 572419790 /nfs/dbraw/zinc/41/97/90/572419790.db2.gz GNFDXFBBESKRHN-NSHDSACASA-N 1 0 169.312 2.955 10 0 AFAERO CC[C@@H](C)[C@@H](c1ccc[nH]1)[NH+](C)C 238797777 572419920 /nfs/dbraw/zinc/41/99/20/572419920.db2.gz HFCSJTGBNNFRGV-KOLCDFICSA-N 1 0 180.295 2.664 10 0 AFAERO C[NH2+][C@H](CC1CCC1)C1CCC1 83841526 572419927 /nfs/dbraw/zinc/41/99/27/572419927.db2.gz DMCASHMQKTVOEI-LLVKDONJSA-N 1 0 167.296 2.565 10 0 AFAERO [NH3+][C@H](Cc1cccs1)CC1CCC1 83841331 572419945 /nfs/dbraw/zinc/41/99/45/572419945.db2.gz MVSFZYUZVFTKAI-JTQLQIEISA-N 1 0 195.331 2.808 10 0 AFAERO CC[C@@H](C)[C@H](CC1CCC1)[NH2+]C 83841438 572419992 /nfs/dbraw/zinc/41/99/92/572419992.db2.gz WXPMTGVVLHCBAL-KOLCDFICSA-N 1 0 169.312 2.811 10 0 AFAERO CC(C)(C)C[C@H]([NH3+])CC1CCC1 83841454 572420012 /nfs/dbraw/zinc/42/00/12/572420012.db2.gz VGFNHXZRXHCRKB-SNVBAGLBSA-N 1 0 169.312 2.940 10 0 AFAERO CCC[C@@H](CC1CCC1)[NH2+]C 83841160 572420066 /nfs/dbraw/zinc/42/00/66/572420066.db2.gz NGKGSBFAIQHIJB-JTQLQIEISA-N 1 0 155.285 2.565 10 0 AFAERO CCC[NH2+][C@H](CCOC)CC1CCC1 83841233 572420070 /nfs/dbraw/zinc/42/00/70/572420070.db2.gz YKKKVGRUQJGSIJ-GFCCVEGCSA-N 1 0 199.338 2.581 10 0 AFAERO Cc1cc(Cl)ccc1C[C@H](C)[NH3+] 44460934 572420083 /nfs/dbraw/zinc/42/00/83/572420083.db2.gz MBNCMYHJDJQMMS-QMMMGPOBSA-N 1 0 183.682 2.538 10 0 AFAERO CCCCCC[C@@H]([NH2+]C)c1ncc[nH]1 87341151 572420086 /nfs/dbraw/zinc/42/00/86/572420086.db2.gz XNTNUSXHSHWYCN-SNVBAGLBSA-N 1 0 195.310 2.641 10 0 AFAERO CC[NH2+][C@H](CC1CCC1)[C@H](C)OCC 83841512 572420093 /nfs/dbraw/zinc/42/00/93/572420093.db2.gz PMYQUVMBXFIYJW-CMPLNLGQSA-N 1 0 199.338 2.580 10 0 AFAERO CCCOC[C@@H](CC1CCC1)[NH2+]CC 83841292 572420261 /nfs/dbraw/zinc/42/02/61/572420261.db2.gz ZRWRBCXJQLSGAL-GFCCVEGCSA-N 1 0 199.338 2.581 10 0 AFAERO C[NH2+][C@H](CC1CCC1)C1CCCC1 83841199 572420267 /nfs/dbraw/zinc/42/02/67/572420267.db2.gz NGAGOMIDEWKEFG-GFCCVEGCSA-N 1 0 181.323 2.955 10 0 AFAERO CCSC[C@@H](CC1CCC1)[NH2+]C 83841549 572420292 /nfs/dbraw/zinc/42/02/92/572420292.db2.gz VTLBUDBOHRMNAQ-SNVBAGLBSA-N 1 0 187.352 2.518 10 0 AFAERO CCCC[C@@H]([NH2+]CCC)c1ncc[nH]1 87342236 572420403 /nfs/dbraw/zinc/42/04/03/572420403.db2.gz MFHGRCWONPIIJR-SNVBAGLBSA-N 1 0 195.310 2.641 10 0 AFAERO CC[C@H](C)[C@H](CC1CCC1)[NH2+]C 83841439 572420462 /nfs/dbraw/zinc/42/04/62/572420462.db2.gz WXPMTGVVLHCBAL-ONGXEEELSA-N 1 0 169.312 2.811 10 0 AFAERO C[NH2+][C@H](CC1CCC1)c1cccnc1 83841069 572420500 /nfs/dbraw/zinc/42/05/00/572420500.db2.gz JOPVUNQMQXBQMA-GFCCVEGCSA-N 1 0 190.290 2.532 10 0 AFAERO CCCC12CCC([NH3+])(CC1)CC2 44460236 572420532 /nfs/dbraw/zinc/42/05/32/572420532.db2.gz NNLUCOCKIDFHBG-UHFFFAOYSA-N 1 0 167.296 2.838 10 0 AFAERO CCOc1cccc([C@@H](C)[C@H](C)[NH3+])c1 87334705 572420569 /nfs/dbraw/zinc/42/05/69/572420569.db2.gz SQSSNGBHWOWQKT-UWVGGRQHSA-N 1 0 193.290 2.536 10 0 AFAERO CC(C)SC[C@H]([NH3+])CC1CCC1 83841563 572420574 /nfs/dbraw/zinc/42/05/74/572420574.db2.gz UIVQLKQPTKQSRP-SNVBAGLBSA-N 1 0 187.352 2.646 10 0 AFAERO CC[NH2+][C@H](CC1CCC1)C(C)C 83841125 572420606 /nfs/dbraw/zinc/42/06/06/572420606.db2.gz KCJDYRAZEIKXPU-LLVKDONJSA-N 1 0 169.312 2.811 10 0 AFAERO CC[NH2+][C@H](CCCOC)CC1CCC1 83841544 572420629 /nfs/dbraw/zinc/42/06/29/572420629.db2.gz OCTZVXUIBVZFID-GFCCVEGCSA-N 1 0 199.338 2.581 10 0 AFAERO CCCCC[C@@H]([NH2+]CC)c1ncc[nH]1 87341977 572420756 /nfs/dbraw/zinc/42/07/56/572420756.db2.gz OKIQYSKROUSFJM-SNVBAGLBSA-N 1 0 195.310 2.641 10 0 AFAERO C[NH2+][C@@H](CC1CCC1)c1ccco1 83841358 572420776 /nfs/dbraw/zinc/42/07/76/572420776.db2.gz SCSCMMKQRLRXIP-JTQLQIEISA-N 1 0 179.263 2.730 10 0 AFAERO C[NH2+][C@H](CC1CCC1)c1ccco1 83841359 572420847 /nfs/dbraw/zinc/42/08/47/572420847.db2.gz SCSCMMKQRLRXIP-SNVBAGLBSA-N 1 0 179.263 2.730 10 0 AFAERO C[C@H]([NH3+])c1ccc(-c2ccccc2)nc1 211623984 572422755 /nfs/dbraw/zinc/42/27/55/572422755.db2.gz NDNVFYOPMBWPJO-JTQLQIEISA-N 1 0 198.269 2.768 10 0 AFAERO CCC(=[NH2+])N(C)CCc1ccccc1 83852872 572423878 /nfs/dbraw/zinc/42/38/78/572423878.db2.gz CKFSKOGVKOQJBR-UHFFFAOYSA-N 1 0 190.290 2.548 10 0 AFAERO CCOc1cccc([C@H](C)[C@@H](C)[NH3+])c1 87334702 572421412 /nfs/dbraw/zinc/42/14/12/572421412.db2.gz SQSSNGBHWOWQKT-NXEZZACHSA-N 1 0 193.290 2.536 10 0 AFAERO CC1=CCC[C@H](C)[C@@H]1C[C@@H](C)[NH3+] 44461597 572421538 /nfs/dbraw/zinc/42/15/38/572421538.db2.gz LCUVOLLKZBUBIN-HBNTYKKESA-N 1 0 167.296 2.716 10 0 AFAERO Cc1cc(C[C@@H](C)[NH3+])ccc1Cl 44460935 572421724 /nfs/dbraw/zinc/42/17/24/572421724.db2.gz LGOXSTGEQDHOFB-MRVPVSSYSA-N 1 0 183.682 2.538 10 0 AFAERO CCCC[C@H](C(N)=[NH2+])c1cccs1 238796614 572421812 /nfs/dbraw/zinc/42/18/12/572421812.db2.gz CZUKMSWRWKKBOW-QMMMGPOBSA-N 1 0 196.319 2.958 10 0 AFAERO CCCCCC[C@H]([NH2+]C)c1ncc[nH]1 87341150 572421826 /nfs/dbraw/zinc/42/18/26/572421826.db2.gz XNTNUSXHSHWYCN-JTQLQIEISA-N 1 0 195.310 2.641 10 0 AFAERO CC1=C[C@H](C)[C@H](C[C@@H](C)[NH3+])CC1 44461583 572421947 /nfs/dbraw/zinc/42/19/47/572421947.db2.gz QAMMWQSJDMJQFR-AXFHLTTASA-N 1 0 167.296 2.716 10 0 AFAERO C[C@H]1CC[C@H](CCC[NH3+])C1(C)C 44473317 572422055 /nfs/dbraw/zinc/42/20/55/572422055.db2.gz CZSHUIUVCCHMGS-UWVGGRQHSA-N 1 0 169.312 2.798 10 0 AFAERO CC1=CCC[C@H](C)[C@H]1C[C@@H](C)[NH3+] 44461595 572422099 /nfs/dbraw/zinc/42/20/99/572422099.db2.gz LCUVOLLKZBUBIN-AXFHLTTASA-N 1 0 167.296 2.716 10 0 AFAERO C[C@H]1CC[C@@H](CCC[NH3+])C1(C)C 44473323 572422133 /nfs/dbraw/zinc/42/21/33/572422133.db2.gz CZSHUIUVCCHMGS-VHSXEESVSA-N 1 0 169.312 2.798 10 0 AFAERO CCCC[C@H]([NH2+]CCC)c1ncc[nH]1 87342234 572422154 /nfs/dbraw/zinc/42/21/54/572422154.db2.gz MFHGRCWONPIIJR-JTQLQIEISA-N 1 0 195.310 2.641 10 0 AFAERO CC1=C[C@H](C)C[C@@H](C[C@@H](C)[NH3+])C1 44461547 572422316 /nfs/dbraw/zinc/42/23/16/572422316.db2.gz ADXCGGCJTYROJT-JMJZKYOTSA-N 1 0 167.296 2.716 10 0 AFAERO CC1=C[C@H](C)C[C@H](C[C@@H](C)[NH3+])C1 44461545 572422460 /nfs/dbraw/zinc/42/24/60/572422460.db2.gz ADXCGGCJTYROJT-GDPRMGEGSA-N 1 0 167.296 2.716 10 0 AFAERO CC1=C[C@H](C)[C@@H](C[C@@H](C)[NH3+])CC1 44461581 572422558 /nfs/dbraw/zinc/42/25/58/572422558.db2.gz QAMMWQSJDMJQFR-HBNTYKKESA-N 1 0 167.296 2.716 10 0 AFAERO CCS[C@@H](C[NH3+])[C@@H](C)CC(C)C 308018554 572422599 /nfs/dbraw/zinc/42/25/99/572422599.db2.gz SWXYFEKRVWRCTR-UWVGGRQHSA-N 1 0 189.368 2.749 10 0 AFAERO C[C@@H]1CC[C@H](CCC[NH3+])C1(C)C 44473315 572422639 /nfs/dbraw/zinc/42/26/39/572422639.db2.gz CZSHUIUVCCHMGS-ZJUUUORDSA-N 1 0 169.312 2.798 10 0 AFAERO C/C=C\C[N@H+]1CC[C@H](CC)[C@@H]1C 308017862 572422644 /nfs/dbraw/zinc/42/26/44/572422644.db2.gz RIVFBNNWJPGHTD-UARRTVENSA-N 1 0 167.296 2.683 10 0 AFAERO CCS[C@H](C[NH3+])[C@@H](C)CC(C)C 308018558 572422665 /nfs/dbraw/zinc/42/26/65/572422665.db2.gz SWXYFEKRVWRCTR-VHSXEESVSA-N 1 0 189.368 2.749 10 0 AFAERO Cc1cc2c(ccn2C)cc1[C@@H](C)[NH3+] 76633219 572422818 /nfs/dbraw/zinc/42/28/18/572422818.db2.gz XSRDISGMOVVOTB-SECBINFHSA-N 1 0 188.274 2.506 10 0 AFAERO CCC[C@@H]([NH3+])c1cccc(COC)c1 238238330 572422822 /nfs/dbraw/zinc/42/28/22/572422822.db2.gz IPMHLTDVLSPRAR-GFCCVEGCSA-N 1 0 193.290 2.633 10 0 AFAERO Cc1cc(C)c(C)c(C[C@H](C)[NH3+])c1C 44461688 572422841 /nfs/dbraw/zinc/42/28/41/572422841.db2.gz NSDNLPGHLJVMMS-JTQLQIEISA-N 1 0 191.318 2.810 10 0 AFAERO CCCC[NH2+]CC1=CCC[C@@H]1C 238238431 572423257 /nfs/dbraw/zinc/42/32/57/572423257.db2.gz YFWDENZSZFKBCD-JTQLQIEISA-N 1 0 167.296 2.732 10 0 AFAERO C[C@@H]1CC[C@@H](CCC[NH3+])C1(C)C 44473319 572423627 /nfs/dbraw/zinc/42/36/27/572423627.db2.gz CZSHUIUVCCHMGS-NXEZZACHSA-N 1 0 169.312 2.798 10 0 AFAERO CC(C)(C)C[C@@H]1CSCC[C@@H]1[NH3+] 76632818 572423918 /nfs/dbraw/zinc/42/39/18/572423918.db2.gz ILMSBAUONRMAAC-BDAKNGLRSA-N 1 0 187.352 2.503 10 0 AFAERO CCCC[NH2+]CC1=CCC[C@H]1C 238238445 572423751 /nfs/dbraw/zinc/42/37/51/572423751.db2.gz YFWDENZSZFKBCD-SNVBAGLBSA-N 1 0 167.296 2.732 10 0 AFAERO Cc1cc2c(ccn2C)cc1[C@H](C)[NH3+] 76633221 572424031 /nfs/dbraw/zinc/42/40/31/572424031.db2.gz XSRDISGMOVVOTB-VIFPVBQESA-N 1 0 188.274 2.506 10 0 AFAERO CC(C)(C)C[C@H]1CSCC[C@@H]1[NH3+] 76632820 572424069 /nfs/dbraw/zinc/42/40/69/572424069.db2.gz ILMSBAUONRMAAC-IUCAKERBSA-N 1 0 187.352 2.503 10 0 AFAERO C[C@@H]([NH3+])CCCc1ccc(Cl)o1 76632826 572424120 /nfs/dbraw/zinc/42/41/20/572424120.db2.gz ZQBHKCRJEFZLJR-SSDOTTSWSA-N 1 0 187.670 2.603 10 0 AFAERO CNc1ccc(N)cc1-c1ccccc1 148962540 572424239 /nfs/dbraw/zinc/42/42/39/572424239.db2.gz STXSMMRQBMNWKT-UHFFFAOYSA-N 1 0 198.269 2.978 10 0 AFAERO Cc1ccc(C[C@@H](C)[NH3+])cc1Cl 44461781 572424339 /nfs/dbraw/zinc/42/43/39/572424339.db2.gz QLNDJHMMOXQLIP-MRVPVSSYSA-N 1 0 183.682 2.538 10 0 AFAERO C[C@H]([NH3+])CCCc1ccc(Cl)o1 76632825 572424408 /nfs/dbraw/zinc/42/44/08/572424408.db2.gz ZQBHKCRJEFZLJR-ZETCQYMHSA-N 1 0 187.670 2.603 10 0 AFAERO CC(C)(C)C[C@H]1CSCC[C@H]1[NH3+] 76632823 572424415 /nfs/dbraw/zinc/42/44/15/572424415.db2.gz ILMSBAUONRMAAC-DTWKUNHWSA-N 1 0 187.352 2.503 10 0 AFAERO CC(C)(C)C[C@@H]1CSCC[C@H]1[NH3+] 76632822 572424602 /nfs/dbraw/zinc/42/46/02/572424602.db2.gz ILMSBAUONRMAAC-RKDXNWHRSA-N 1 0 187.352 2.503 10 0 AFAERO CCCCC1([NH2+]CCC)CCOCC1 238238460 572424672 /nfs/dbraw/zinc/42/46/72/572424672.db2.gz ADGOOJKKJRXELR-UHFFFAOYSA-N 1 0 199.338 2.725 10 0 AFAERO Cc1cc(C)c(C)c(C[C@@H](C)[NH3+])c1C 44461687 572424786 /nfs/dbraw/zinc/42/47/86/572424786.db2.gz NSDNLPGHLJVMMS-SNVBAGLBSA-N 1 0 191.318 2.810 10 0 AFAERO CCS[C@H](C[NH3+])[C@H](C)CC(C)C 308018551 572424803 /nfs/dbraw/zinc/42/48/03/572424803.db2.gz SWXYFEKRVWRCTR-NXEZZACHSA-N 1 0 189.368 2.749 10 0 AFAERO CC1([NH2+]CCCCCF)CCC1 308017665 572424922 /nfs/dbraw/zinc/42/49/22/572424922.db2.gz SMVIPELUCUFMKG-UHFFFAOYSA-N 1 0 173.275 2.658 10 0 AFAERO CC/C=C/CC[NH2+]C(C)(C)C 83823688 572425125 /nfs/dbraw/zinc/42/51/25/572425125.db2.gz TYEMOQOIFFTVDT-VOTSOKGWSA-N 1 0 155.285 2.731 10 0 AFAERO CC(C)(C)SCC1(CC[NH3+])CC1 83854205 572425146 /nfs/dbraw/zinc/42/51/46/572425146.db2.gz GINDHSGDCAPWLM-UHFFFAOYSA-N 1 0 187.352 2.647 10 0 AFAERO CC[C@H](C)SCC1(CC[NH3+])CC1 83854202 572425309 /nfs/dbraw/zinc/42/53/09/572425309.db2.gz JPRHELZYMNPNTN-VIFPVBQESA-N 1 0 187.352 2.647 10 0 AFAERO C/C=C\C[N@H+]1CC[C@H](CC)[C@H]1C 308017861 572425413 /nfs/dbraw/zinc/42/54/13/572425413.db2.gz RIVFBNNWJPGHTD-FPNIURKZSA-N 1 0 167.296 2.683 10 0 AFAERO CCS[C@@H](C[NH3+])[C@H](C)CC(C)C 308018560 572425668 /nfs/dbraw/zinc/42/56/68/572425668.db2.gz SWXYFEKRVWRCTR-ZJUUUORDSA-N 1 0 189.368 2.749 10 0 AFAERO C[C@@H]1CCCC[C@H]1C[NH2+]C1CCC1 44481965 572425711 /nfs/dbraw/zinc/42/57/11/572425711.db2.gz FJYPXEUXSASEHL-MNOVXSKESA-N 1 0 181.323 2.955 10 0 AFAERO CCCCSCC1(CC[NH3+])CC1 83854282 572425918 /nfs/dbraw/zinc/42/59/18/572425918.db2.gz PUZUMMDCKOUSPT-UHFFFAOYSA-N 1 0 187.352 2.649 10 0 AFAERO CC(C)CSCC1(CC[NH3+])CC1 83854184 572426054 /nfs/dbraw/zinc/42/60/54/572426054.db2.gz LDKRAPPSELYEJN-UHFFFAOYSA-N 1 0 187.352 2.505 10 0 AFAERO C[C@H]1CCCC[C@H]1C[NH2+]C1CCC1 44481966 572426247 /nfs/dbraw/zinc/42/62/47/572426247.db2.gz FJYPXEUXSASEHL-QWRGUYRKSA-N 1 0 181.323 2.955 10 0 AFAERO CCCC[C@H]([NH3+])CCCOC(C)C 689534224 572426250 /nfs/dbraw/zinc/42/62/50/572426250.db2.gz LAXCEXZGKFSEDG-NSHDSACASA-N 1 0 187.327 2.709 10 0 AFAERO CC(C)C[C@H](C)OCC1(CC[NH3+])CC1 83853951 572426268 /nfs/dbraw/zinc/42/62/68/572426268.db2.gz GUOBBZUBEJTDSH-NSHDSACASA-N 1 0 199.338 2.567 10 0 AFAERO Cc1ccc(CC[NH2+]C2CCC2)cc1 76633809 572426317 /nfs/dbraw/zinc/42/63/17/572426317.db2.gz BKSVBSXPTSOVOS-UHFFFAOYSA-N 1 0 189.302 2.680 10 0 AFAERO CCCC[C@@H]([NH3+])CCCOC(C)C 689534223 572426318 /nfs/dbraw/zinc/42/63/18/572426318.db2.gz LAXCEXZGKFSEDG-LLVKDONJSA-N 1 0 187.327 2.709 10 0 AFAERO CC(C)CCCNC1=[NH+]CCCCC1 83823813 572426322 /nfs/dbraw/zinc/42/63/22/572426322.db2.gz VQBIUADGVRYKDU-UHFFFAOYSA-N 1 0 196.338 2.985 10 0 AFAERO C[NH2+][C@H](CCc1ccco1)CC(C)C 83823664 572426542 /nfs/dbraw/zinc/42/65/42/572426542.db2.gz VKVHCHCTTLOZRA-LLVKDONJSA-N 1 0 195.306 2.846 10 0 AFAERO C[C@H]1CCCC[C@@H]1C[NH2+]C1CCC1 44481964 572426590 /nfs/dbraw/zinc/42/65/90/572426590.db2.gz FJYPXEUXSASEHL-WDEREUQCSA-N 1 0 181.323 2.955 10 0 AFAERO 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194.322 2.929 10 0 AFAERO CC[C@@H](C)C[C@H](C)[NH2+]CC(F)F 83864966 572449777 /nfs/dbraw/zinc/44/97/77/572449777.db2.gz AWCQUPUUDMPBDS-SFYZADRCSA-N 1 0 179.254 2.666 10 0 AFAERO CC[C@H](C)C[C@@H](C)Nc1[nH+]ccn1C 83865239 572449909 /nfs/dbraw/zinc/44/99/09/572449909.db2.gz QMTBXMGLVYMKMW-VHSXEESVSA-N 1 0 195.310 2.657 10 0 AFAERO C[NH2+][C@H](CCC1CC1)c1ccncc1 83937418 572451117 /nfs/dbraw/zinc/45/11/17/572451117.db2.gz WLGJYFWLZPRDJJ-GFCCVEGCSA-N 1 0 190.290 2.532 10 0 AFAERO CC[C@@](C)([NH3+])c1nc(C2CC2)cs1 68906165 572450112 /nfs/dbraw/zinc/45/01/12/572450112.db2.gz IESFTWPMBJHMTM-SNVBAGLBSA-N 1 0 196.319 2.604 10 0 AFAERO Cc1cc(C2([NH3+])CCCC2)c(F)s1 74214793 572450115 /nfs/dbraw/zinc/45/01/15/572450115.db2.gz CSHSPOMOALXHMZ-UHFFFAOYSA-N 1 0 199.294 2.924 10 0 AFAERO CC[C@](C)([NH3+])c1nc(C2CC2)cs1 68906158 572450145 /nfs/dbraw/zinc/45/01/45/572450145.db2.gz IESFTWPMBJHMTM-JTQLQIEISA-N 1 0 196.319 2.604 10 0 AFAERO Cc1nc(C(C)C)c([C@@H]([NH3+])C(C)C)o1 74241281 572451118 /nfs/dbraw/zinc/45/11/18/572451118.db2.gz BSYJXFMXFLIOGR-VIFPVBQESA-N 1 0 196.294 2.762 10 0 AFAERO Cc1nocc1[C@H]([NH3+])CCC(C)(C)C 74241377 572450426 /nfs/dbraw/zinc/45/04/26/572450426.db2.gz QOAXXYYPXLZBGS-SNVBAGLBSA-N 1 0 196.294 2.809 10 0 AFAERO CCCSC[C@@H]([NH3+])CCC1CC1 83938774 572450467 /nfs/dbraw/zinc/45/04/67/572450467.db2.gz QPYYPJYJFVFOSQ-JTQLQIEISA-N 1 0 187.352 2.647 10 0 AFAERO CC[C@H](C)[C@H](CCC1CC1)[NH2+]C 83938442 572450486 /nfs/dbraw/zinc/45/04/86/572450486.db2.gz HZZOVQXGBHYKKJ-ONGXEEELSA-N 1 0 169.312 2.811 10 0 AFAERO CCCOC[C@@H](CCC1CC1)[NH2+]CC 83938001 572450546 /nfs/dbraw/zinc/45/05/46/572450546.db2.gz AXBCADHULVDXBY-GFCCVEGCSA-N 1 0 199.338 2.581 10 0 AFAERO CC[C@@H](C)[C@@H](CCC1CC1)[NH2+]C 83938434 572450567 /nfs/dbraw/zinc/45/05/67/572450567.db2.gz HZZOVQXGBHYKKJ-MWLCHTKSSA-N 1 0 169.312 2.811 10 0 AFAERO CC(C)[C@H]([NH3+])c1nc2ccsc2o1 74241473 572450601 /nfs/dbraw/zinc/45/06/01/572450601.db2.gz VTIDDWNSGMKUGP-ZETCQYMHSA-N 1 0 196.275 2.545 10 0 AFAERO C[NH2+][C@@H](CCC1CC1)c1cccnc1 83937393 572450630 /nfs/dbraw/zinc/45/06/30/572450630.db2.gz JDFVMSKUEHXULB-LBPRGKRZSA-N 1 0 190.290 2.532 10 0 AFAERO CCC[C@H](c1ccc[nH]1)[NH+]1CCCC1 238243609 572450636 /nfs/dbraw/zinc/45/06/36/572450636.db2.gz WSZNZSIDKWQKNK-GFCCVEGCSA-N 1 0 192.306 2.952 10 0 AFAERO CCC[C@H]([NH3+])c1cc(C)cc(OC)c1 238243792 572450668 /nfs/dbraw/zinc/45/06/68/572450668.db2.gz IXEDQWCNZCZCAB-LBPRGKRZSA-N 1 0 193.290 2.804 10 0 AFAERO CC[NH2+][C@H](CCC1CC1)[C@H]1C[C@@H]1C 83939449 572450688 /nfs/dbraw/zinc/45/06/88/572450688.db2.gz DJFFFTRIEMGPNH-ZMLRMANQSA-N 1 0 181.323 2.811 10 0 AFAERO CC(C)c1nc(C(C)C)c([C@H](C)[NH3+])o1 74241275 572450834 /nfs/dbraw/zinc/45/08/34/572450834.db2.gz GYSSSLWOWZSMCE-QMMMGPOBSA-N 1 0 196.294 2.941 10 0 AFAERO CCC[C@H](C(N)=[NH2+])c1ccccc1 238244846 572450858 /nfs/dbraw/zinc/45/08/58/572450858.db2.gz ZDHWDDDBBUHGPG-JTQLQIEISA-N 1 0 176.263 2.506 10 0 AFAERO [NH3+][C@@H](CC1CCCC1)c1cnsc1 74240995 572450895 /nfs/dbraw/zinc/45/08/95/572450895.db2.gz SRVPIJMSEHHOLC-JTQLQIEISA-N 1 0 196.319 2.723 10 0 AFAERO Cc1cccc([C@@H]([NH3+])CCC2CC2)n1 83938406 572450903 /nfs/dbraw/zinc/45/09/03/572450903.db2.gz WMNKZAYCJSGATH-NSHDSACASA-N 1 0 190.290 2.580 10 0 AFAERO CC[NH2+][C@@H](CCC1CC1)C1CCC1 83938695 572450944 /nfs/dbraw/zinc/45/09/44/572450944.db2.gz QETAUMSUHVSCNV-LBPRGKRZSA-N 1 0 181.323 2.955 10 0 AFAERO CC[NH2+][C@H](CCC1CC1)CSC 83938251 572450979 /nfs/dbraw/zinc/45/09/79/572450979.db2.gz NPCDEIKQLKZGPV-SNVBAGLBSA-N 1 0 187.352 2.518 10 0 AFAERO Cc1oc([C@@H]([NH3+])C(C)C)nc1C(C)C 74241283 572450980 /nfs/dbraw/zinc/45/09/80/572450980.db2.gz SYAHUKUMRBFYGB-VIFPVBQESA-N 1 0 196.294 2.762 10 0 AFAERO CC(C)[C@H]([NH3+])c1nc2ccoc2s1 74241481 572450991 /nfs/dbraw/zinc/45/09/91/572450991.db2.gz ITWWGPJVBSHNTE-ZETCQYMHSA-N 1 0 196.275 2.545 10 0 AFAERO CC(C)CC[C@@H]([NH3+])CCC1CC1 83937850 572450999 /nfs/dbraw/zinc/45/09/99/572450999.db2.gz RXTHCXDAUGWWNK-LLVKDONJSA-N 1 0 169.312 2.940 10 0 AFAERO CCC[C@@H]([NH3+])c1nc2ccoc2s1 74241479 572451003 /nfs/dbraw/zinc/45/10/03/572451003.db2.gz YHKYKODZNJCGIE-ZCFIWIBFSA-N 1 0 196.275 2.689 10 0 AFAERO [NH3+][C@H](CCC1CC1)c1cccs1 83937092 572451014 /nfs/dbraw/zinc/45/10/14/572451014.db2.gz JBLKALCPKHWQRA-SECBINFHSA-N 1 0 181.304 2.938 10 0 AFAERO C[C@H](c1cncs1)C1([NH3+])CCCC1 74240935 572451059 /nfs/dbraw/zinc/45/10/59/572451059.db2.gz JTVOTMRIGZEEEE-MRVPVSSYSA-N 1 0 196.319 2.518 10 0 AFAERO Cc1scnc1[C@H]([NH3+])C1CCCC1 74240975 572451073 /nfs/dbraw/zinc/45/10/73/572451073.db2.gz UQXDKYRMMOEVEK-SECBINFHSA-N 1 0 196.319 2.642 10 0 AFAERO [NH3+][C@H](CCC1CC1)c1ccsc1 83937182 572451130 /nfs/dbraw/zinc/45/11/30/572451130.db2.gz LOBNDWDALZYLSN-SNVBAGLBSA-N 1 0 181.304 2.938 10 0 AFAERO Cc1snc([C@@H]([NH3+])CC2CC2)c1C 74240989 572451151 /nfs/dbraw/zinc/45/11/51/572451151.db2.gz NQPRTIDCIJZAGG-VIFPVBQESA-N 1 0 196.319 2.560 10 0 AFAERO C[NH2+][C@H](CCC1CC1)C1CCCC1 83937690 572451153 /nfs/dbraw/zinc/45/11/53/572451153.db2.gz HIIQTBFPYSOCMX-GFCCVEGCSA-N 1 0 181.323 2.955 10 0 AFAERO Cc1nc([C@H]([NH3+])C(C)C)oc1C(C)C 74241286 572451185 /nfs/dbraw/zinc/45/11/85/572451185.db2.gz LTRDVEZNXBVDPL-SECBINFHSA-N 1 0 196.294 2.762 10 0 AFAERO CC(C)Cc1cc([C@@H]([NH3+])C(C)C)on1 74241381 572451220 /nfs/dbraw/zinc/45/12/20/572451220.db2.gz JHRDQQHYKAZJPW-NSHDSACASA-N 1 0 196.294 2.529 10 0 AFAERO C[NH2+][C@@H](CCC1CC1)CC(F)(F)F 83937756 572451251 /nfs/dbraw/zinc/45/12/51/572451251.db2.gz NSFOTPJFJWNZEL-QMMMGPOBSA-N 1 0 195.228 2.717 10 0 AFAERO Cc1ncoc1[C@H]([NH3+])CCC(C)(C)C 74241371 572451252 /nfs/dbraw/zinc/45/12/52/572451252.db2.gz JWSDPTQYHNVZMG-SECBINFHSA-N 1 0 196.294 2.809 10 0 AFAERO CC[NH2+][C@H](CCC1CC1)[C@H](C)OCC 83938653 572451778 /nfs/dbraw/zinc/45/17/78/572451778.db2.gz MVOJAPDWOYUBHA-CMPLNLGQSA-N 1 0 199.338 2.580 10 0 AFAERO CC[NH2+][C@H](CCC1CC1)C1CCC1 83938699 572451301 /nfs/dbraw/zinc/45/13/01/572451301.db2.gz QETAUMSUHVSCNV-GFCCVEGCSA-N 1 0 181.323 2.955 10 0 AFAERO C[C@@H](c1cncs1)C1([NH3+])CCCC1 74240932 572451339 /nfs/dbraw/zinc/45/13/39/572451339.db2.gz JTVOTMRIGZEEEE-QMMMGPOBSA-N 1 0 196.319 2.518 10 0 AFAERO [NH3+][C@H](CCC1CC1)C1CCCC1 83937681 572451341 /nfs/dbraw/zinc/45/13/41/572451341.db2.gz HBTIWQRCAVGVSV-LLVKDONJSA-N 1 0 167.296 2.694 10 0 AFAERO CC[C@@H](C)[C@H](CCC1CC1)[NH2+]C 83938439 572451363 /nfs/dbraw/zinc/45/13/63/572451363.db2.gz HZZOVQXGBHYKKJ-KOLCDFICSA-N 1 0 169.312 2.811 10 0 AFAERO [NH3+][C@@H](CCC1CC1)Cc1ccccc1 83937155 572451373 /nfs/dbraw/zinc/45/13/73/572451373.db2.gz QXICBYRFXLMIAF-ZDUSSCGKSA-N 1 0 189.302 2.747 10 0 AFAERO CC[NH2+][C@@H](CCC1CC1)[C@@H](C)OCC 83938641 572451471 /nfs/dbraw/zinc/45/14/71/572451471.db2.gz MVOJAPDWOYUBHA-PWSUYJOCSA-N 1 0 199.338 2.580 10 0 AFAERO C[NH2+][C@H](CCC1CC1)c1cccnc1 83937399 572451474 /nfs/dbraw/zinc/45/14/74/572451474.db2.gz JDFVMSKUEHXULB-GFCCVEGCSA-N 1 0 190.290 2.532 10 0 AFAERO CC(C)Cc1ncc([C@H]([NH3+])C(C)C)o1 74241291 572451533 /nfs/dbraw/zinc/45/15/33/572451533.db2.gz GRVUYVJXNHDABR-LLVKDONJSA-N 1 0 196.294 2.529 10 0 AFAERO CC[NH2+][C@H](CCCOC)CCC1CC1 83938736 572451594 /nfs/dbraw/zinc/45/15/94/572451594.db2.gz NRQLRWRETSYCOT-GFCCVEGCSA-N 1 0 199.338 2.581 10 0 AFAERO Cc1oncc1[C@H]([NH3+])CCC(C)(C)C 74241365 572451654 /nfs/dbraw/zinc/45/16/54/572451654.db2.gz NQHKBYQQGXMKQJ-SNVBAGLBSA-N 1 0 196.294 2.809 10 0 AFAERO C[NH2+][C@@H](CCC1CC1)C1CCC1 83938689 572451673 /nfs/dbraw/zinc/45/16/73/572451673.db2.gz MFJODMFAUYSIHG-NSHDSACASA-N 1 0 167.296 2.565 10 0 AFAERO C[NH2+][C@H](CCC1CC1)CC(F)(F)F 83937758 572451685 /nfs/dbraw/zinc/45/16/85/572451685.db2.gz NSFOTPJFJWNZEL-MRVPVSSYSA-N 1 0 195.228 2.717 10 0 AFAERO Cc1snc([C@H]([NH3+])CC2CC2)c1C 74240987 572451698 /nfs/dbraw/zinc/45/16/98/572451698.db2.gz NQPRTIDCIJZAGG-SECBINFHSA-N 1 0 196.319 2.560 10 0 AFAERO CCCC[NH2+][C@@H]1CC[C@@H](OC)C1(C)C 238244889 572451720 /nfs/dbraw/zinc/45/17/20/572451720.db2.gz NIWKAGFYHKTVDN-GHMZBOCLSA-N 1 0 199.338 2.580 10 0 AFAERO Cc1ccnc([C@H]([NH3+])CCC2CC2)c1 83938466 572451730 /nfs/dbraw/zinc/45/17/30/572451730.db2.gz BQVGKSBAJDPJMO-LLVKDONJSA-N 1 0 190.290 2.580 10 0 AFAERO C[NH2+][C@H](CCC1CC1)c1ccco1 83938221 572451802 /nfs/dbraw/zinc/45/18/02/572451802.db2.gz HIMQFAXTRDRRGV-SNVBAGLBSA-N 1 0 179.263 2.730 10 0 AFAERO Cc1oncc1[C@@H]([NH3+])CCC(C)(C)C 74241366 572451811 /nfs/dbraw/zinc/45/18/11/572451811.db2.gz NQHKBYQQGXMKQJ-JTQLQIEISA-N 1 0 196.294 2.809 10 0 AFAERO C[NH2+][C@@H](CCC1CC1)C1CCCC1 83937687 572451818 /nfs/dbraw/zinc/45/18/18/572451818.db2.gz HIIQTBFPYSOCMX-LBPRGKRZSA-N 1 0 181.323 2.955 10 0 AFAERO CC(C)[C@H]([NH3+])c1cc(C2CC2)ns1 74240978 572451819 /nfs/dbraw/zinc/45/18/19/572451819.db2.gz KITHUEGTPIGKBY-JTQLQIEISA-N 1 0 196.319 2.676 10 0 AFAERO C[C@@H]1CC[C@H]([C@H]([NH3+])CCC2CC2)C1 83939325 572451861 /nfs/dbraw/zinc/45/18/61/572451861.db2.gz YENHYVSHDSNUTC-ADEWGFFLSA-N 1 0 181.323 2.940 10 0 AFAERO Cc1cccnc1[C@H]([NH3+])CCC1CC1 83937947 572451865 /nfs/dbraw/zinc/45/18/65/572451865.db2.gz YMAMOXJYOVKGCX-LLVKDONJSA-N 1 0 190.290 2.580 10 0 AFAERO C[C@@]([NH3+])(c1cccc(Cl)c1)C1CC1 44568456 572451882 /nfs/dbraw/zinc/45/18/82/572451882.db2.gz ZRJWHBAMTYDNIU-NSHDSACASA-N 1 0 195.693 2.924 10 0 AFAERO CC(C)CC[C@H]([NH3+])CCC1CC1 83937847 572451918 /nfs/dbraw/zinc/45/19/18/572451918.db2.gz RXTHCXDAUGWWNK-NSHDSACASA-N 1 0 169.312 2.940 10 0 AFAERO C[NH2+][C@H](CCC1CC1)C1CCC1 83938691 572451933 /nfs/dbraw/zinc/45/19/33/572451933.db2.gz MFJODMFAUYSIHG-LLVKDONJSA-N 1 0 167.296 2.565 10 0 AFAERO CCC[C@@H]([NH3+])c1nc2cocc2s1 74241486 572451957 /nfs/dbraw/zinc/45/19/57/572451957.db2.gz HBDYLDCREXCAEM-ZCFIWIBFSA-N 1 0 196.275 2.689 10 0 AFAERO CC[NH2+][C@H](CCC1CC1)[C@@H](C)OCC 83938648 572452004 /nfs/dbraw/zinc/45/20/04/572452004.db2.gz MVOJAPDWOYUBHA-ZYHUDNBSSA-N 1 0 199.338 2.580 10 0 AFAERO CCCOC[C@H](CCC1CC1)[NH2+]CC 83938006 572452008 /nfs/dbraw/zinc/45/20/08/572452008.db2.gz AXBCADHULVDXBY-LBPRGKRZSA-N 1 0 199.338 2.581 10 0 AFAERO C[NH2+][C@@H](CCC1CC1)c1ccncc1 83937414 572452070 /nfs/dbraw/zinc/45/20/70/572452070.db2.gz WLGJYFWLZPRDJJ-LBPRGKRZSA-N 1 0 190.290 2.532 10 0 AFAERO CCCc1ccccc1C[C@H](C)[NH3+] 114439963 572452109 /nfs/dbraw/zinc/45/21/09/572452109.db2.gz VMVXCJCVBKWYTF-JTQLQIEISA-N 1 0 177.291 2.529 10 0 AFAERO Cc1cc([C@H]([NH3+])CCC(C)(C)C)on1 74241362 572452128 /nfs/dbraw/zinc/45/21/28/572452128.db2.gz ODUWMNBMDACKMJ-SECBINFHSA-N 1 0 196.294 2.809 10 0 AFAERO CC(C)C[C@@H]([NH3+])CCC1CC1 83937235 572452132 /nfs/dbraw/zinc/45/21/32/572452132.db2.gz QEQFXJKOGPKHMS-JTQLQIEISA-N 1 0 155.285 2.550 10 0 AFAERO CC[NH2+][C@@H](CCCOC)CCC1CC1 83938734 572452138 /nfs/dbraw/zinc/45/21/38/572452138.db2.gz NRQLRWRETSYCOT-LBPRGKRZSA-N 1 0 199.338 2.581 10 0 AFAERO CC[NH2+][C@@H](CCC1CC1)CSC 83938248 572452162 /nfs/dbraw/zinc/45/21/62/572452162.db2.gz NPCDEIKQLKZGPV-JTQLQIEISA-N 1 0 187.352 2.518 10 0 AFAERO [NH3+][C@@H](CCC1CC1)c1cccs1 83937095 572452175 /nfs/dbraw/zinc/45/21/75/572452175.db2.gz JBLKALCPKHWQRA-VIFPVBQESA-N 1 0 181.304 2.938 10 0 AFAERO CCC[C@@H]([NH3+])c1noc2ccsc12 74241509 572452209 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10 0 AFAERO CC[C@@H]([NH3+])CCc1ccc(C)s1 84020597 572482496 /nfs/dbraw/zinc/48/24/96/572482496.db2.gz DMWXJADBTWVOQW-SECBINFHSA-N 1 0 183.320 2.726 10 0 AFAERO Cc1ccc(CC[C@H]([NH3+])C(C)C)s1 84020600 572482541 /nfs/dbraw/zinc/48/25/41/572482541.db2.gz DWFZLUQURSQLSB-NSHDSACASA-N 1 0 197.347 2.972 10 0 AFAERO [NH3+][C@@H](CC1CCCCC1)c1cnco1 74246235 572482719 /nfs/dbraw/zinc/48/27/19/572482719.db2.gz VVUFUIZNBOYUNY-JTQLQIEISA-N 1 0 194.278 2.645 10 0 AFAERO CC[C@H]([NH3+])CCc1ccc(C)s1 84020594 572482855 /nfs/dbraw/zinc/48/28/55/572482855.db2.gz DMWXJADBTWVOQW-VIFPVBQESA-N 1 0 183.320 2.726 10 0 AFAERO CCC[C@H](CC)C[C@H](C)[NH2+]C 238263958 572483247 /nfs/dbraw/zinc/48/32/47/572483247.db2.gz AGWBGHXHWQRDAU-UWVGGRQHSA-N 1 0 157.301 2.811 10 0 AFAERO CC[NH2+]C[C@@H](C)Cc1ccc(C)s1 84020928 572483075 /nfs/dbraw/zinc/48/30/75/572483075.db2.gz DPYITQMMEOUDAB-VIFPVBQESA-N 1 0 197.347 2.845 10 0 AFAERO C=C/C=C\CC[NH2+]C[C@@H]1CC12CC2 713715932 572483153 /nfs/dbraw/zinc/48/31/53/572483153.db2.gz ASKHQKUFWPQUET-BYCRGOAPSA-N 1 0 177.291 2.508 10 0 AFAERO [NH3+][C@H](CC1CCCCC1)c1cnco1 74246234 572483533 /nfs/dbraw/zinc/48/35/33/572483533.db2.gz VVUFUIZNBOYUNY-SNVBAGLBSA-N 1 0 194.278 2.645 10 0 AFAERO Cc1ccc(CC[C@H]([NH3+])C2CC2)s1 84020604 572483698 /nfs/dbraw/zinc/48/36/98/572483698.db2.gz XREAQZXXRFSSSD-NSHDSACASA-N 1 0 195.331 2.726 10 0 AFAERO Cc1ccc(CCC[NH2+]C(C)C)s1 84020631 572483741 /nfs/dbraw/zinc/48/37/41/572483741.db2.gz FBPPHBCOWVORCG-UHFFFAOYSA-N 1 0 197.347 2.987 10 0 AFAERO Cc1ccc([NH+]=CN(C)C)cc1Cl 379417675 572483829 /nfs/dbraw/zinc/48/38/29/572483829.db2.gz VAJIMBHLZOVZSV-UHFFFAOYSA-N 1 0 196.681 2.870 10 0 AFAERO Cc1ccc(CCC[NH2+]C2CC2)s1 84020633 572483967 /nfs/dbraw/zinc/48/39/67/572483967.db2.gz LHKRTCMHSVSDIA-UHFFFAOYSA-N 1 0 195.331 2.741 10 0 AFAERO CCCC1(CCC)CC([NH2+]C)C1 87439772 572484891 /nfs/dbraw/zinc/48/48/91/572484891.db2.gz IONCJWKUIILNFX-UHFFFAOYSA-N 1 0 169.312 2.955 10 0 AFAERO CCC[C@H](CC)C[C@@H](C)[NH2+]C 238263945 572485046 /nfs/dbraw/zinc/48/50/46/572485046.db2.gz AGWBGHXHWQRDAU-ZJUUUORDSA-N 1 0 157.301 2.811 10 0 AFAERO CCC[NH2+]C1CC(CC)(CC)C1 87439863 572485124 /nfs/dbraw/zinc/48/51/24/572485124.db2.gz NVDYEDDXPHHOBX-UHFFFAOYSA-N 1 0 169.312 2.955 10 0 AFAERO CCOCCCC[C@H]1[NH2+]CCC[C@H]1C 238264708 572485743 /nfs/dbraw/zinc/48/57/43/572485743.db2.gz HELSIYFNTZBIFT-VXGBXAGGSA-N 1 0 199.338 2.581 10 0 AFAERO CCOCCCC[C@H]1[NH2+]CCC[C@@H]1C 238264705 572485876 /nfs/dbraw/zinc/48/58/76/572485876.db2.gz HELSIYFNTZBIFT-NWDGAFQWSA-N 1 0 199.338 2.581 10 0 AFAERO CCC[C@@H]1CCCC[C@@H]1OCCC[NH3+] 238266710 572489299 /nfs/dbraw/zinc/48/92/99/572489299.db2.gz VBVHTZKWMFDHJZ-NEPJUHHUSA-N 1 0 199.338 2.711 10 0 AFAERO CCOCCCC[C@@H]1C[C@H](C)CC[NH2+]1 238264638 572486440 /nfs/dbraw/zinc/48/64/40/572486440.db2.gz UHNRYWSNGRLPSQ-VXGBXAGGSA-N 1 0 199.338 2.581 10 0 AFAERO CCOCCCC[C@H]1CC[C@H](C)C[NH2+]1 238264686 572486568 /nfs/dbraw/zinc/48/65/68/572486568.db2.gz AVMOGHBCMYDANQ-RYUDHWBXSA-N 1 0 199.338 2.581 10 0 AFAERO Cc1cccc(Nc2[nH]cc(C)[nH+]2)c1 235940077 572486704 /nfs/dbraw/zinc/48/67/04/572486704.db2.gz XJJHIAPGJRERCC-UHFFFAOYSA-N 1 0 187.246 2.770 10 0 AFAERO CCCCc1cccc(C[C@@H](C)[NH3+])c1 238265067 572486795 /nfs/dbraw/zinc/48/67/95/572486795.db2.gz OZWSYPIDCOVIDM-LLVKDONJSA-N 1 0 191.318 2.919 10 0 AFAERO CCC[NH2+]C1CC(CCC)C1 87439842 572486917 /nfs/dbraw/zinc/48/69/17/572486917.db2.gz VYYNCQDYMYUZIH-UHFFFAOYSA-N 1 0 155.285 2.565 10 0 AFAERO CCOCCCC[C@@H]1[NH2+]CCC[C@@H]1C 238264641 572487404 /nfs/dbraw/zinc/48/74/04/572487404.db2.gz HELSIYFNTZBIFT-RYUDHWBXSA-N 1 0 199.338 2.581 10 0 AFAERO Cc1cn(C2CCCCCC2)c(N)[nH+]1 235942362 572487812 /nfs/dbraw/zinc/48/78/12/572487812.db2.gz WVKKVWFYZJGCDB-UHFFFAOYSA-N 1 0 193.294 2.669 10 0 AFAERO CCOCCCC[C@H]1C[C@@H](C)CC[NH2+]1 238264695 572487947 /nfs/dbraw/zinc/48/79/47/572487947.db2.gz UHNRYWSNGRLPSQ-RYUDHWBXSA-N 1 0 199.338 2.581 10 0 AFAERO CCCCc1cccc(C[C@H](C)[NH3+])c1 238265074 572487950 /nfs/dbraw/zinc/48/79/50/572487950.db2.gz OZWSYPIDCOVIDM-NSHDSACASA-N 1 0 191.318 2.919 10 0 AFAERO CCOCCCC[C@@H]1CC[C@@H](C)C[NH2+]1 238264625 572487955 /nfs/dbraw/zinc/48/79/55/572487955.db2.gz AVMOGHBCMYDANQ-VXGBXAGGSA-N 1 0 199.338 2.581 10 0 AFAERO CCOCCCC[C@@H]1CC[C@H](C)C[NH2+]1 238264630 572488070 /nfs/dbraw/zinc/48/80/70/572488070.db2.gz AVMOGHBCMYDANQ-NWDGAFQWSA-N 1 0 199.338 2.581 10 0 AFAERO CCOCCCC[C@H]1C[C@H](C)CC[NH2+]1 238264701 572488285 /nfs/dbraw/zinc/48/82/85/572488285.db2.gz UHNRYWSNGRLPSQ-NEPJUHHUSA-N 1 0 199.338 2.581 10 0 AFAERO CCOCCCC[C@@H]1C[C@@H](C)CC[NH2+]1 238264636 572488449 /nfs/dbraw/zinc/48/84/49/572488449.db2.gz UHNRYWSNGRLPSQ-NWDGAFQWSA-N 1 0 199.338 2.581 10 0 AFAERO CCOCCCC[C@@H]1[NH2+]CCC[C@H]1C 238264645 572488695 /nfs/dbraw/zinc/48/86/95/572488695.db2.gz HELSIYFNTZBIFT-NEPJUHHUSA-N 1 0 199.338 2.581 10 0 AFAERO CCC[NH2+][C@H](CCC1CC1)COCC 84064914 572488958 /nfs/dbraw/zinc/48/89/58/572488958.db2.gz ADDAKOAZYLCOEO-GFCCVEGCSA-N 1 0 199.338 2.581 10 0 AFAERO CCC1(CC)CC([NH2+]C2CC2)C1 87439933 572489002 /nfs/dbraw/zinc/48/90/02/572489002.db2.gz GGHSULNJFASZSK-UHFFFAOYSA-N 1 0 167.296 2.707 10 0 AFAERO CCCCCC[C@H](COCC)[NH2+]C 84064131 572489177 /nfs/dbraw/zinc/48/91/77/572489177.db2.gz ASSMXCQJCWWFHW-LLVKDONJSA-N 1 0 187.327 2.581 10 0 AFAERO CCC(C)(C)C[C@@H]([NH3+])CCSC 713263429 572489222 /nfs/dbraw/zinc/48/92/22/572489222.db2.gz ACEABQUWSGHFIG-VIFPVBQESA-N 1 0 189.368 2.893 10 0 AFAERO CCCC[C@@H](COCC)[NH2+]CCC 84064838 572489506 /nfs/dbraw/zinc/48/95/06/572489506.db2.gz CTBHRJBIBVXYSW-NSHDSACASA-N 1 0 187.327 2.581 10 0 AFAERO CCC[NH2+][C@@H](COCC)CC1CCC1 84064962 572489364 /nfs/dbraw/zinc/48/93/64/572489364.db2.gz VCMUAUACAMLFMZ-GFCCVEGCSA-N 1 0 199.338 2.581 10 0 AFAERO CCCCCC[C@@H](COCC)[NH2+]C 84064130 572489738 /nfs/dbraw/zinc/48/97/38/572489738.db2.gz ASSMXCQJCWWFHW-NSHDSACASA-N 1 0 187.327 2.581 10 0 AFAERO CCC(C)(C)C[C@H]([NH3+])CCSC 713263403 572489863 /nfs/dbraw/zinc/48/98/63/572489863.db2.gz ACEABQUWSGHFIG-SECBINFHSA-N 1 0 189.368 2.893 10 0 AFAERO CCC[NH2+][C@@H](COCC)C1CCCC1 84064814 572490093 /nfs/dbraw/zinc/49/00/93/572490093.db2.gz DMAAZCWCXILSNZ-LBPRGKRZSA-N 1 0 199.338 2.581 10 0 AFAERO CC[NH2+][C@@H](COCC)CC1CCCC1 84064535 572490493 /nfs/dbraw/zinc/49/04/93/572490493.db2.gz MKWCBGBLVAEQMN-GFCCVEGCSA-N 1 0 199.338 2.581 10 0 AFAERO CCC[C@@H]1C=CC[C@@H](CCC)[NH2+]1 238265960 572490569 /nfs/dbraw/zinc/49/05/69/572490569.db2.gz QCTOMZVQSDWOGT-GHMZBOCLSA-N 1 0 167.296 2.873 10 0 AFAERO CC[NH2+][C@@H](COCC)C1CCCCC1 84064597 572490688 /nfs/dbraw/zinc/49/06/88/572490688.db2.gz NPNFLGVALSQACD-LBPRGKRZSA-N 1 0 199.338 2.581 10 0 AFAERO CCC[NH2+][C@H](COCC)CC1CCC1 84064961 572491033 /nfs/dbraw/zinc/49/10/33/572491033.db2.gz VCMUAUACAMLFMZ-LBPRGKRZSA-N 1 0 199.338 2.581 10 0 AFAERO CCOC[C@H]([NH3+])C1CCC(CC)CC1 84064058 572491092 /nfs/dbraw/zinc/49/10/92/572491092.db2.gz NEOYODWOSWXVJX-MCIGGMRASA-N 1 0 199.338 2.567 10 0 AFAERO CCC[NH2+][C@H](COCC)C1CCCC1 84064815 572491178 /nfs/dbraw/zinc/49/11/78/572491178.db2.gz DMAAZCWCXILSNZ-GFCCVEGCSA-N 1 0 199.338 2.581 10 0 AFAERO CCCC[C@H](COCC)[NH2+]CCC 84064839 572491182 /nfs/dbraw/zinc/49/11/82/572491182.db2.gz CTBHRJBIBVXYSW-LLVKDONJSA-N 1 0 187.327 2.581 10 0 AFAERO CCOC[C@@H]([NH3+])C1CCC(CC)CC1 84064057 572491248 /nfs/dbraw/zinc/49/12/48/572491248.db2.gz NEOYODWOSWXVJX-HTAVTVPLSA-N 1 0 199.338 2.567 10 0 AFAERO CCC[C@H]1C=CC[C@@H](CCC)[NH2+]1 238266018 572491465 /nfs/dbraw/zinc/49/14/65/572491465.db2.gz QCTOMZVQSDWOGT-WDEREUQCSA-N 1 0 167.296 2.873 10 0 AFAERO CCC[C@@H]1CCCC[C@H]1OCCC[NH3+] 238266850 572491503 /nfs/dbraw/zinc/49/15/03/572491503.db2.gz VBVHTZKWMFDHJZ-VXGBXAGGSA-N 1 0 199.338 2.711 10 0 AFAERO CC[C@H](C)[C@@H](c1ccc[nH]1)[NH+](C)C 238265711 572491549 /nfs/dbraw/zinc/49/15/49/572491549.db2.gz HFCSJTGBNNFRGV-ONGXEEELSA-N 1 0 180.295 2.664 10 0 AFAERO CCCCC[C@@H](COCC)[NH2+]CC 84064471 572491821 /nfs/dbraw/zinc/49/18/21/572491821.db2.gz URFSUNHKJBLVMP-NSHDSACASA-N 1 0 187.327 2.581 10 0 AFAERO CC[NH2+][C@H](COCC)C1CCCCC1 84064598 572491875 /nfs/dbraw/zinc/49/18/75/572491875.db2.gz NPNFLGVALSQACD-GFCCVEGCSA-N 1 0 199.338 2.581 10 0 AFAERO CC[NH2+][C@H](COCC)CC1CCCC1 84064533 572491950 /nfs/dbraw/zinc/49/19/50/572491950.db2.gz MKWCBGBLVAEQMN-LBPRGKRZSA-N 1 0 199.338 2.581 10 0 AFAERO CC[C@@H](C)[C@H](c1ccc[nH]1)[NH+](C)C 238267508 572492197 /nfs/dbraw/zinc/49/21/97/572492197.db2.gz HFCSJTGBNNFRGV-MWLCHTKSSA-N 1 0 180.295 2.664 10 0 AFAERO CCC(C)(C)C[C@]1([NH3+])CCSC1 713264954 572492416 /nfs/dbraw/zinc/49/24/16/572492416.db2.gz OKOPRGSVYTWCDT-SNVBAGLBSA-N 1 0 187.352 2.647 10 0 AFAERO CC[NH2+][C@H](C)CC(C)(C)SC 238268367 572493325 /nfs/dbraw/zinc/49/33/25/572493325.db2.gz CONVIYNCQJCWHT-MRVPVSSYSA-N 1 0 175.341 2.516 10 0 AFAERO Cc1ccc([C@H]2C[C@@H]([NH3+])CS2)cc1 74247402 572494745 /nfs/dbraw/zinc/49/47/45/572494745.db2.gz GVBAONGFAUQQDI-GHMZBOCLSA-N 1 0 193.315 2.500 10 0 AFAERO FC(F)(F)CC[NH2+][C@H]1CC=CCC1 84067965 572494344 /nfs/dbraw/zinc/49/43/44/572494344.db2.gz RWWWHZJOBZJKSU-QMMMGPOBSA-N 1 0 193.212 2.637 10 0 AFAERO C/C=C\Cn1c(C)[nH+]c2c1CCCC2 379438234 572494396 /nfs/dbraw/zinc/49/43/96/572494396.db2.gz OQMRUQDPVYHZNN-ARJAWSKDSA-N 1 0 190.290 2.646 10 0 AFAERO CC(C)CC[NH2+][C@H]1CC=CCC1 84066726 572494479 /nfs/dbraw/zinc/49/44/79/572494479.db2.gz CJJPQOXVUUKKOD-NSHDSACASA-N 1 0 167.296 2.731 10 0 AFAERO Cc1cccc([C@@H]2C[C@@H]([NH3+])CS2)c1 74247409 572494505 /nfs/dbraw/zinc/49/45/05/572494505.db2.gz AIEMDHVEMGMLEL-MNOVXSKESA-N 1 0 193.315 2.500 10 0 AFAERO FC(F)(F)CC[NH2+][C@@H]1CC=CCC1 84067964 572494515 /nfs/dbraw/zinc/49/45/15/572494515.db2.gz RWWWHZJOBZJKSU-MRVPVSSYSA-N 1 0 193.212 2.637 10 0 AFAERO Cc1ccc([C@H](C)C2([NH3+])CCCC2)o1 74247618 572494519 /nfs/dbraw/zinc/49/45/19/572494519.db2.gz MLGDSCKATRKOMB-JTQLQIEISA-N 1 0 193.290 2.963 10 0 AFAERO CCCCOCC[NH2+][C@H]1CC=CCC1 84067623 572494733 /nfs/dbraw/zinc/49/47/33/572494733.db2.gz YTQLWMLWHDAKGA-LBPRGKRZSA-N 1 0 197.322 2.501 10 0 AFAERO CC(C)CC[NH2+][C@@H]1CC=CCC1 84066728 572494750 /nfs/dbraw/zinc/49/47/50/572494750.db2.gz CJJPQOXVUUKKOD-LLVKDONJSA-N 1 0 167.296 2.731 10 0 AFAERO CCCCOCC[NH2+][C@@H]1CC=CCC1 84067624 572494811 /nfs/dbraw/zinc/49/48/11/572494811.db2.gz YTQLWMLWHDAKGA-GFCCVEGCSA-N 1 0 197.322 2.501 10 0 AFAERO Cc1ccc([C@H]2C[C@H]([NH3+])CS2)cc1 74247400 572494885 /nfs/dbraw/zinc/49/48/85/572494885.db2.gz GVBAONGFAUQQDI-WDEREUQCSA-N 1 0 193.315 2.500 10 0 AFAERO CC(C)[C@H](C)Oc1ccccc1C[NH3+] 87467468 572495137 /nfs/dbraw/zinc/49/51/37/572495137.db2.gz LBWNYTZOPYDFJK-JTQLQIEISA-N 1 0 193.290 2.569 10 0 AFAERO Cc1cccc([C@@H]2C[C@H]([NH3+])CS2)c1 74247407 572495320 /nfs/dbraw/zinc/49/53/20/572495320.db2.gz AIEMDHVEMGMLEL-QWRGUYRKSA-N 1 0 193.315 2.500 10 0 AFAERO Cc1ccc(C[C@H]([NH3+])C2CCCC2)o1 74247601 572495445 /nfs/dbraw/zinc/49/54/45/572495445.db2.gz GQRFPNWGFMUTTC-LBPRGKRZSA-N 1 0 193.290 2.648 10 0 AFAERO CC(C)[C@@H](C)Oc1ccccc1C[NH3+] 87467467 572495466 /nfs/dbraw/zinc/49/54/66/572495466.db2.gz LBWNYTZOPYDFJK-SNVBAGLBSA-N 1 0 193.290 2.569 10 0 AFAERO CC[C@H]([NH3+])c1cccc2c1CCS2 74247414 572495803 /nfs/dbraw/zinc/49/58/03/572495803.db2.gz QQYGPRBTGYOGRE-JTQLQIEISA-N 1 0 193.315 2.745 10 0 AFAERO C=C/C=C/CC[NH2+][C@@H](C)CCSC 713716940 572495807 /nfs/dbraw/zinc/49/58/07/572495807.db2.gz DEUCQWVDKYJHME-QRGHLMKCSA-N 1 0 199.363 2.850 10 0 AFAERO CCCCC[NH2+][C@H]1CC=CCC1 84066156 572495827 /nfs/dbraw/zinc/49/58/27/572495827.db2.gz SJVDCOUTWPBXMS-NSHDSACASA-N 1 0 167.296 2.875 10 0 AFAERO Cc1ccccc1[C@H]1C[C@@H]([NH3+])CS1 74247406 572495947 /nfs/dbraw/zinc/49/59/47/572495947.db2.gz DPEXDELDHGASBM-MWLCHTKSSA-N 1 0 193.315 2.500 10 0 AFAERO Cc1ccc([C@@H]2C[C@H]([NH3+])CS2)cc1 74247399 572495960 /nfs/dbraw/zinc/49/59/60/572495960.db2.gz GVBAONGFAUQQDI-QWRGUYRKSA-N 1 0 193.315 2.500 10 0 AFAERO Cc1ccc([C@@H]2C[C@@H]([NH3+])CS2)cc1 74247401 572495964 /nfs/dbraw/zinc/49/59/64/572495964.db2.gz GVBAONGFAUQQDI-MNOVXSKESA-N 1 0 193.315 2.500 10 0 AFAERO Cc1cccc([C@H]2C[C@H]([NH3+])CS2)c1 74247408 572496029 /nfs/dbraw/zinc/49/60/29/572496029.db2.gz AIEMDHVEMGMLEL-WDEREUQCSA-N 1 0 193.315 2.500 10 0 AFAERO CC(C)(C)OCC[NH2+]CC1CCCC1 53584437 572496063 /nfs/dbraw/zinc/49/60/63/572496063.db2.gz ZWUMDDCWEUMJHL-UHFFFAOYSA-N 1 0 199.338 2.581 10 0 AFAERO CCC(C)(C)C[C@@]1([NH3+])CCSC1 713264949 572496144 /nfs/dbraw/zinc/49/61/44/572496144.db2.gz OKOPRGSVYTWCDT-JTQLQIEISA-N 1 0 187.352 2.647 10 0 AFAERO CCCCC[NH2+][C@@H]1CC=CCC1 84066157 572496208 /nfs/dbraw/zinc/49/62/08/572496208.db2.gz SJVDCOUTWPBXMS-LLVKDONJSA-N 1 0 167.296 2.875 10 0 AFAERO CC(C)[C@H](C)Oc1ccc(C[NH3+])cc1 87467492 572496435 /nfs/dbraw/zinc/49/64/35/572496435.db2.gz QQVYBVNIOKOECR-JTQLQIEISA-N 1 0 193.290 2.569 10 0 AFAERO CC[C@H](C[C@@H](C)[NH3+])c1ccco1 238270771 572496595 /nfs/dbraw/zinc/49/65/95/572496595.db2.gz NOBOLYFHCPSALA-RKDXNWHRSA-N 1 0 167.252 2.511 10 0 AFAERO Cc1cc(C)c(C2([NH3+])CC=CC2)s1 74247413 572496654 /nfs/dbraw/zinc/49/66/54/572496654.db2.gz KCYVTLWPESSAFF-UHFFFAOYSA-N 1 0 193.315 2.869 10 0 AFAERO 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572498110 /nfs/dbraw/zinc/49/81/10/572498110.db2.gz IUUBZBIVJJKEPU-JTQLQIEISA-N 1 0 167.296 2.732 10 0 AFAERO CC(C)[C@@H](C)OC1(C[NH3+])CCCCC1 87468675 572498509 /nfs/dbraw/zinc/49/85/09/572498509.db2.gz CZTQOOVNHQCVJA-LLVKDONJSA-N 1 0 199.338 2.709 10 0 AFAERO CCC(C)(C)COC1(C[NH3+])CCCC1 713265332 572498511 /nfs/dbraw/zinc/49/85/11/572498511.db2.gz DUPQRAMLIWITLK-UHFFFAOYSA-N 1 0 199.338 2.711 10 0 AFAERO CC(C)C(C)(C)CSC[C@H](C)[NH3+] 713267657 572498570 /nfs/dbraw/zinc/49/85/70/572498570.db2.gz IKADAOZBMORHMR-VIFPVBQESA-N 1 0 189.368 2.749 10 0 AFAERO CC(C)[C@H](C)OCCCC[C@@H](C)[NH3+] 87468912 572498622 /nfs/dbraw/zinc/49/86/22/572498622.db2.gz MIFANFPWINXJBR-MNOVXSKESA-N 1 0 187.327 2.565 10 0 AFAERO CC(C)[C@@H](C)OCCCC[C@@H](C)[NH3+] 87468911 572498808 /nfs/dbraw/zinc/49/88/08/572498808.db2.gz MIFANFPWINXJBR-GHMZBOCLSA-N 1 0 187.327 2.565 10 0 AFAERO CC[C@H]([NH2+]C)[C@H]1CCC[C@H](C)C1 44981004 572499393 /nfs/dbraw/zinc/49/93/93/572499393.db2.gz DRIWOGQMSBOZCF-DCAQKATOSA-N 1 0 169.312 2.811 10 0 AFAERO C[C@@H](C[NH3+])CCCc1ccsc1 84128276 572498987 /nfs/dbraw/zinc/49/89/87/572498987.db2.gz VDUHCODDQKOHQN-SECBINFHSA-N 1 0 183.320 2.666 10 0 AFAERO CC[NH2+][C@@H]1CCC[C@@H]1O[C@@H](C)C(C)C 87468733 572498995 /nfs/dbraw/zinc/49/89/95/572498995.db2.gz SFZYPUYERIFSRV-TUAOUCFPSA-N 1 0 199.338 2.578 10 0 AFAERO CC[NH2+][C@H](C)[C@H]1CCC[C@H](C)C1 44981184 572499023 /nfs/dbraw/zinc/49/90/23/572499023.db2.gz YDFXMCPMZREVCH-AXFHLTTASA-N 1 0 169.312 2.811 10 0 AFAERO CC[C@H](C[C@H](C)[NH3+])c1ccco1 238271513 572499071 /nfs/dbraw/zinc/49/90/71/572499071.db2.gz NOBOLYFHCPSALA-DTWKUNHWSA-N 1 0 167.252 2.511 10 0 AFAERO CC[C@H]([NH3+])[C@H]1CCC[C@H](C)C1 44980712 572499211 /nfs/dbraw/zinc/49/92/11/572499211.db2.gz DOEBSHCTBJFUKE-GUBZILKMSA-N 1 0 155.285 2.550 10 0 AFAERO CC(C)[C@H](C)OCCCC[C@H](C)[NH3+] 87468914 572499453 /nfs/dbraw/zinc/49/94/53/572499453.db2.gz MIFANFPWINXJBR-QWRGUYRKSA-N 1 0 187.327 2.565 10 0 AFAERO C[NH2+]CC1(O[C@H](C)C(C)C)CCCC1 87468759 572499552 /nfs/dbraw/zinc/49/95/52/572499552.db2.gz URZZQFOYFSQHSF-LLVKDONJSA-N 1 0 199.338 2.580 10 0 AFAERO C[NH2+]CC1(O[C@@H](C)C(C)C)CCCC1 87468760 572499603 /nfs/dbraw/zinc/49/96/03/572499603.db2.gz URZZQFOYFSQHSF-NSHDSACASA-N 1 0 199.338 2.580 10 0 AFAERO CC(C)[C@H](C)OCC[C@H]1CCC[C@@H]1[NH3+] 87468988 572499733 /nfs/dbraw/zinc/49/97/33/572499733.db2.gz IOXHYPCABOKDOY-TUAOUCFPSA-N 1 0 199.338 2.565 10 0 AFAERO C[C@H]1CC[C@](C[NH3+])(OCC(C)(C)C)C1 713265218 572499753 /nfs/dbraw/zinc/49/97/53/572499753.db2.gz QGEVEXLJGDSAIH-JQWIXIFHSA-N 1 0 199.338 2.567 10 0 AFAERO CC(C)[C@H](C)OCCC[C@@H]1CCC[NH2+]1 87469368 572502319 /nfs/dbraw/zinc/50/23/19/572502319.db2.gz NMRGVCVHXCIFGT-RYUDHWBXSA-N 1 0 199.338 2.580 10 0 AFAERO CC[C@H]([NH2+]C)[C@@H]1CCC[C@H](C)C1 44981000 572500020 /nfs/dbraw/zinc/50/00/20/572500020.db2.gz DRIWOGQMSBOZCF-AXFHLTTASA-N 1 0 169.312 2.811 10 0 AFAERO CC[NH2+][C@H](C)C1CCC(C)CC1 44983877 572500067 /nfs/dbraw/zinc/50/00/67/572500067.db2.gz UWSVQIRPJZUTBP-HSOILSAZSA-N 1 0 169.312 2.811 10 0 AFAERO CC[NH2+][C@@H](C)C1CCC(C)CC1 44983875 572500168 /nfs/dbraw/zinc/50/01/68/572500168.db2.gz UWSVQIRPJZUTBP-YVNMAJEFSA-N 1 0 169.312 2.811 10 0 AFAERO CC(C)[C@@H](C)OCCCC[C@H](C)[NH3+] 87468913 572500218 /nfs/dbraw/zinc/50/02/18/572500218.db2.gz MIFANFPWINXJBR-WDEREUQCSA-N 1 0 187.327 2.565 10 0 AFAERO CC(C)C(C)(C)CSC[C@@H](C)[NH3+] 713267650 572500264 /nfs/dbraw/zinc/50/02/64/572500264.db2.gz IKADAOZBMORHMR-SECBINFHSA-N 1 0 189.368 2.749 10 0 AFAERO CC[C@H]([NH2+]C)C1CCC(C)CC1 44983786 572500283 /nfs/dbraw/zinc/50/02/83/572500283.db2.gz OOFUFWRHDYNJLS-ILDUYXDCSA-N 1 0 169.312 2.811 10 0 AFAERO C[C@@H]1CC[C@](C[NH3+])(OCC(C)(C)C)C1 713265225 572500387 /nfs/dbraw/zinc/50/03/87/572500387.db2.gz QGEVEXLJGDSAIH-PWSUYJOCSA-N 1 0 199.338 2.567 10 0 AFAERO Cc1ccc(-c2sccc2C[NH3+])o1 74247830 572500478 /nfs/dbraw/zinc/50/04/78/572500478.db2.gz AGHYUYGQFXEDSU-UHFFFAOYSA-N 1 0 193.271 2.775 10 0 AFAERO CCC[C@H]([NH3+])c1cccc(C)c1OC 74247745 572500487 /nfs/dbraw/zinc/50/04/87/572500487.db2.gz NNOPFALVMSNNRB-NSHDSACASA-N 1 0 193.290 2.804 10 0 AFAERO CC(C)[C@H](C)OC1(C[NH3+])CCCCC1 87468676 572500579 /nfs/dbraw/zinc/50/05/79/572500579.db2.gz CZTQOOVNHQCVJA-NSHDSACASA-N 1 0 199.338 2.709 10 0 AFAERO CC(C)[C@@H]([NH3+])[C@@H]1CCC[C@@H](C)C1 44980724 572500722 /nfs/dbraw/zinc/50/07/22/572500722.db2.gz UUNQDXJALIAQMQ-GMTAPVOTSA-N 1 0 169.312 2.796 10 0 AFAERO CC(C)[C@H](C)OCC[C@@H]1CCC[C@@H]1[NH3+] 87468986 572500838 /nfs/dbraw/zinc/50/08/38/572500838.db2.gz IOXHYPCABOKDOY-SRVKXCTJSA-N 1 0 199.338 2.565 10 0 AFAERO Cc1ccoc1-c1sccc1C[NH3+] 74247829 572501037 /nfs/dbraw/zinc/50/10/37/572501037.db2.gz HJZSCRSCTABTKX-UHFFFAOYSA-N 1 0 193.271 2.775 10 0 AFAERO CC[NH2+][C@@H]1CCC[C@H]1O[C@@H](C)C(C)C 87468735 572501095 /nfs/dbraw/zinc/50/10/95/572501095.db2.gz SFZYPUYERIFSRV-QJPTWQEYSA-N 1 0 199.338 2.578 10 0 AFAERO CC(C)[C@@H]([NH3+])[C@H]1CCC[C@@H](C)C1 44980718 572501309 /nfs/dbraw/zinc/50/13/09/572501309.db2.gz UUNQDXJALIAQMQ-OUAUKWLOSA-N 1 0 169.312 2.796 10 0 AFAERO Cc1ccsc1-c1occc1C[NH3+] 74247828 572501364 /nfs/dbraw/zinc/50/13/64/572501364.db2.gz FNOMCCRKPFKKTO-UHFFFAOYSA-N 1 0 193.271 2.775 10 0 AFAERO CCC[C@@H]([NH3+])c1cccc(C)c1OC 74247746 572501366 /nfs/dbraw/zinc/50/13/66/572501366.db2.gz NNOPFALVMSNNRB-LLVKDONJSA-N 1 0 193.290 2.804 10 0 AFAERO CC(C)[C@H](C)OCC[NH2+]C1CCCC1 87470662 572503009 /nfs/dbraw/zinc/50/30/09/572503009.db2.gz ZMFCDGWXGIVJSB-NSHDSACASA-N 1 0 199.338 2.580 10 0 AFAERO CC[NH2+][C@H](C)[C@@H]1CCC[C@H](C)C1 44981181 572501452 /nfs/dbraw/zinc/50/14/52/572501452.db2.gz YDFXMCPMZREVCH-HBNTYKKESA-N 1 0 169.312 2.811 10 0 AFAERO CC(C)(C)COc1ccccc1C[NH3+] 713266108 572501458 /nfs/dbraw/zinc/50/14/58/572501458.db2.gz SXYGQJPYLYVFPU-UHFFFAOYSA-N 1 0 193.290 2.570 10 0 AFAERO C[C@@H]1CC[C@@](C[NH3+])(OCC(C)(C)C)C1 713265228 572501484 /nfs/dbraw/zinc/50/14/84/572501484.db2.gz QGEVEXLJGDSAIH-ZYHUDNBSSA-N 1 0 199.338 2.567 10 0 AFAERO CCC[C@H]1CC=C[C@@H](CCC)[NH2+]1 238272273 572501647 /nfs/dbraw/zinc/50/16/47/572501647.db2.gz QCTOMZVQSDWOGT-MNOVXSKESA-N 1 0 167.296 2.873 10 0 AFAERO CC(C)[C@H](C)OCC[C@H]1CCCC[NH2+]1 87469374 572501825 /nfs/dbraw/zinc/50/18/25/572501825.db2.gz WTLLUJHLIGEJBI-NWDGAFQWSA-N 1 0 199.338 2.580 10 0 AFAERO CC[C@]([NH3+])(CCCOC)C1CCCC1 689653312 572501865 /nfs/dbraw/zinc/50/18/65/572501865.db2.gz MTKYIBNVZMXBLM-LBPRGKRZSA-N 1 0 199.338 2.711 10 0 AFAERO CC[C@@]1(C)[C@@H](O[C@@H](C)C(C)C)C[C@H]1[NH3+] 87471217 572501939 /nfs/dbraw/zinc/50/19/39/572501939.db2.gz RJXAOHWRWOHTLY-WHOHXGKFSA-N 1 0 199.338 2.563 10 0 AFAERO CC(C)[C@@H](C)OCC[C@@H]1CCCC[NH2+]1 87469371 572501982 /nfs/dbraw/zinc/50/19/82/572501982.db2.gz WTLLUJHLIGEJBI-NEPJUHHUSA-N 1 0 199.338 2.580 10 0 AFAERO CC(C)[C@@H](C)OCCC[C@H]1CCC[NH2+]1 87469369 572501977 /nfs/dbraw/zinc/50/19/77/572501977.db2.gz NMRGVCVHXCIFGT-VXGBXAGGSA-N 1 0 199.338 2.580 10 0 AFAERO [NH3+][C@H](CCC(F)(F)F)C1=CCCC1 84123638 572502023 /nfs/dbraw/zinc/50/20/23/572502023.db2.gz RXRMXUMSUMGHLY-MRVPVSSYSA-N 1 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CC[C@H](C[NH2+]C1CC1)O[C@H](C)C(C)C 87470586 572503528 /nfs/dbraw/zinc/50/35/28/572503528.db2.gz LRHTZQHEKRIUPF-ZYHUDNBSSA-N 1 0 199.338 2.578 10 0 AFAERO CC(C)[C@H](C)OCCCC[NH2+]C1CC1 87470536 572503555 /nfs/dbraw/zinc/50/35/55/572503555.db2.gz SISJBYASRSKGSE-NSHDSACASA-N 1 0 199.338 2.580 10 0 AFAERO CCCC(=[NH2+])N1CCC[C@H]1C(C)C 84128291 572503561 /nfs/dbraw/zinc/50/35/61/572503561.db2.gz WOVFFLUWFOOIDJ-JTQLQIEISA-N 1 0 182.311 2.884 10 0 AFAERO CC[C@H](C[NH2+]C1CC1)O[C@@H](C)C(C)C 87470584 572503698 /nfs/dbraw/zinc/50/36/98/572503698.db2.gz LRHTZQHEKRIUPF-CMPLNLGQSA-N 1 0 199.338 2.578 10 0 AFAERO C=C/C=C\CC[NH2+][C@@H](CC)CSC 713717577 572503827 /nfs/dbraw/zinc/50/38/27/572503827.db2.gz FQPIAYFJWXLXAC-ZADCQDASSA-N 1 0 199.363 2.850 10 0 AFAERO CC[C@@H](C[NH2+]C1CC1)O[C@@H](C)C(C)C 87470583 572503949 /nfs/dbraw/zinc/50/39/49/572503949.db2.gz LRHTZQHEKRIUPF-JQWIXIFHSA-N 1 0 199.338 2.578 10 0 AFAERO CCCCC[C@H]1[NH2+]CC12CCC2 308042546 572504033 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CCC[C@H](C)[NH2+]C[C@@H](C)SCC 53616262 572506806 /nfs/dbraw/zinc/50/68/06/572506806.db2.gz OALMEQLNCKVNFF-VHSXEESVSA-N 1 0 189.368 2.906 10 0 AFAERO C[NH2+]C[C@H]1C[C@@H]1CC1CCCCC1 87474210 572507039 /nfs/dbraw/zinc/50/70/39/572507039.db2.gz WNNDZAZFEGPTJH-NWDGAFQWSA-N 1 0 181.323 2.812 10 0 AFAERO CCCC[NH2+]C[C@H](C)SCC 53616244 572507045 /nfs/dbraw/zinc/50/70/45/572507045.db2.gz HNFZRDHFMUGZDP-VIFPVBQESA-N 1 0 175.341 2.518 10 0 AFAERO CC(C)C[C@@](C)(F)CCCC[NH3+] 308043014 572508956 /nfs/dbraw/zinc/50/89/56/572508956.db2.gz ODCRPDYTDYTXGF-JTQLQIEISA-N 1 0 175.291 2.890 10 0 AFAERO C[NH2+]C[C@H]1C[C@H]1CC1CCCCC1 87474215 572507473 /nfs/dbraw/zinc/50/74/73/572507473.db2.gz WNNDZAZFEGPTJH-VXGBXAGGSA-N 1 0 181.323 2.812 10 0 AFAERO C=C=C[C@H]([NH3+])CCCCCC 307780593 572507615 /nfs/dbraw/zinc/50/76/15/572507615.db2.gz VOXBEYYFWYNSPO-JTQLQIEISA-N 1 0 153.269 2.625 10 0 AFAERO CCCCCC[C@]1(C)CC[NH2+]1 84179131 572508304 /nfs/dbraw/zinc/50/83/04/572508304.db2.gz MMLDXODGLIYFIB-SNVBAGLBSA-N 1 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2.563 10 0 AFAERO CCC[C@@H]1[NH2+]C(C)(C)[C@@H](CCC)O1 238277294 572509719 /nfs/dbraw/zinc/50/97/19/572509719.db2.gz QEDMDEJGYQDFJT-NXEZZACHSA-N 1 0 185.311 2.680 10 0 AFAERO CC[C@]1(CCC[NH3+])C=CC(OC)=CC1 238276961 572509816 /nfs/dbraw/zinc/50/98/16/572509816.db2.gz PDYNJWTWPRGNDB-LBPRGKRZSA-N 1 0 195.306 2.612 10 0 AFAERO CC(C)Oc1cc(F)ccc1[C@@H](C)[NH3+] 62745988 572510078 /nfs/dbraw/zinc/51/00/78/572510078.db2.gz VRFGIRKAXQISOL-MRVPVSSYSA-N 1 0 197.253 2.633 10 0 AFAERO C=C/C=C/CC[NH2+]C[C@@H]1CCCS1 713718143 572510185 /nfs/dbraw/zinc/51/01/85/572510185.db2.gz HBLFZFROCMJWFX-UFFNRZRYSA-N 1 0 197.347 2.604 10 0 AFAERO CC(C)[C@H]([NH3+])C(C)(C)c1ccccc1 62773194 572510452 /nfs/dbraw/zinc/51/04/52/572510452.db2.gz QMDMTBYVKXNPQY-LBPRGKRZSA-N 1 0 191.318 2.948 10 0 AFAERO CC1(C)C[C@H]1[NH2+]CC1CCCC1 45119104 572510642 /nfs/dbraw/zinc/51/06/42/572510642.db2.gz XQYXSHAZHVKULM-SNVBAGLBSA-N 1 0 167.296 2.565 10 0 AFAERO CCc1ccc(F)cc1CC[C@H](C)[NH3+] 238277390 572510677 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/nfs/dbraw/zinc/51/12/92/572511292.db2.gz GJXZRPLEZHEBCG-NXEZZACHSA-N 1 0 157.301 2.796 10 0 AFAERO CCC[C@H]([NH2+]CC)[C@H]1CC[C@H]1C 308046418 572511295 /nfs/dbraw/zinc/51/12/95/572511295.db2.gz PRDYEPKABKPLHV-VWYCJHECSA-N 1 0 169.312 2.811 10 0 AFAERO C=C/C=C/CC[NH2+]C[C@H]1CCCS1 713718133 572511515 /nfs/dbraw/zinc/51/15/15/572511515.db2.gz HBLFZFROCMJWFX-PGLGOXFNSA-N 1 0 197.347 2.604 10 0 AFAERO CCC[C@H]([NH2+]CC)[C@H]1CC[C@@H]1C 308046416 572513030 /nfs/dbraw/zinc/51/30/30/572513030.db2.gz PRDYEPKABKPLHV-DCAQKATOSA-N 1 0 169.312 2.811 10 0 AFAERO [NH3+]C[C@H]1CCC[C@@H]1SC1CCCC1 62830005 572512070 /nfs/dbraw/zinc/51/20/70/572512070.db2.gz JJBVZGQRDYWFMN-KOLCDFICSA-N 1 0 199.363 2.790 10 0 AFAERO CC[C@@H]([NH3+])c1ccc2ncccc2c1 62802037 572512098 /nfs/dbraw/zinc/51/20/98/572512098.db2.gz DXHKSCVRYRYYIH-LLVKDONJSA-N 1 0 186.258 2.645 10 0 AFAERO C1CCC(SC[C@@H]2CCC[NH2+]C2)C1 62830752 572512118 /nfs/dbraw/zinc/51/21/18/572512118.db2.gz CCJBTNPMPABDNR-SNVBAGLBSA-N 1 0 199.363 2.662 10 0 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GJXZRPLEZHEBCG-UWVGGRQHSA-N 1 0 157.301 2.796 10 0 AFAERO CCOCCC[C@@]1([NH3+])CCC[C@@H]1CC 689458904 572512651 /nfs/dbraw/zinc/51/26/51/572512651.db2.gz LULHEGLTEQLFPC-RYUDHWBXSA-N 1 0 199.338 2.711 10 0 AFAERO CCC[C@@H](CC(C)C)[C@@H](C)[NH3+] 308045719 572512734 /nfs/dbraw/zinc/51/27/34/572512734.db2.gz GJXZRPLEZHEBCG-ZJUUUORDSA-N 1 0 157.301 2.796 10 0 AFAERO C1CCC(CSC2CC[NH2+]CC2)C1 62837034 572512846 /nfs/dbraw/zinc/51/28/46/572512846.db2.gz AVIGOZSDRYCARW-UHFFFAOYSA-N 1 0 199.363 2.662 10 0 AFAERO CCC[C@H]([NH2+]CC)[C@@H]1CC[C@@H]1C 308046415 572513103 /nfs/dbraw/zinc/51/31/03/572513103.db2.gz PRDYEPKABKPLHV-AXFHLTTASA-N 1 0 169.312 2.811 10 0 AFAERO C[NH2+][C@@H](C)c1ccc2ncccc2c1 62802246 572513210 /nfs/dbraw/zinc/51/32/10/572513210.db2.gz YHDYSGCEEFMNIT-VIFPVBQESA-N 1 0 186.258 2.515 10 0 AFAERO C[C@@H](C[NH2+]C1CC1)SC1CCCC1 62831210 572513337 /nfs/dbraw/zinc/51/33/37/572513337.db2.gz PNNBSJVIDCMZFL-VIFPVBQESA-N 1 0 199.363 2.803 10 0 AFAERO CCOCCC[C@@]1([NH3+])CCC[C@H]1CC 689458902 572513487 /nfs/dbraw/zinc/51/34/87/572513487.db2.gz LULHEGLTEQLFPC-NEPJUHHUSA-N 1 0 199.338 2.711 10 0 AFAERO CC[C@H](C)[C@H]([NH3+])CCCOC(C)C 689537654 572513637 /nfs/dbraw/zinc/51/36/37/572513637.db2.gz VNVUPPWAXWWFDZ-WDEREUQCSA-N 1 0 187.327 2.565 10 0 AFAERO CC[C@@H](C)[C@@H]([NH3+])CCCOC(C)C 689537652 572513757 /nfs/dbraw/zinc/51/37/57/572513757.db2.gz VNVUPPWAXWWFDZ-MNOVXSKESA-N 1 0 187.327 2.565 10 0 AFAERO CCOCCC[C@]1([NH3+])CCC[C@H]1CC 689458905 572514051 /nfs/dbraw/zinc/51/40/51/572514051.db2.gz LULHEGLTEQLFPC-VXGBXAGGSA-N 1 0 199.338 2.711 10 0 AFAERO CC[C@H](C)C[NH2+][C@H]1CC[C@H](F)C1 308046832 572514183 /nfs/dbraw/zinc/51/41/83/572514183.db2.gz PTRKALPHZVMHAI-GUBZILKMSA-N 1 0 173.275 2.513 10 0 AFAERO Cc1occc1[C@@H]([NH3+])CC(F)(F)F 74267921 572514291 /nfs/dbraw/zinc/51/42/91/572514291.db2.gz HTFULUWYLKOWOP-ZETCQYMHSA-N 1 0 193.168 2.540 10 0 AFAERO [NH3+]C[C@@H]1CCC[C@H]1SC1CCCC1 62830006 572514454 /nfs/dbraw/zinc/51/44/54/572514454.db2.gz JJBVZGQRDYWFMN-GXSJLCMTSA-N 1 0 199.363 2.790 10 0 AFAERO CC[C@@H](c1ccccc1OC)[C@H](C)[NH3+] 238279816 572514533 /nfs/dbraw/zinc/51/45/33/572514533.db2.gz KPBYUMWKDLOPOP-VHSXEESVSA-N 1 0 193.290 2.536 10 0 AFAERO CC[N@H+](C)[C@H](C)CC1CCCC1 308051657 572514575 /nfs/dbraw/zinc/51/45/75/572514575.db2.gz SHUAGYIIVCHWND-SNVBAGLBSA-N 1 0 169.312 2.907 10 0 AFAERO CC(C)[C@H]([NH3+])C1(c2ccccc2)CC1 62781071 572514655 /nfs/dbraw/zinc/51/46/55/572514655.db2.gz QZRHUTGQYVSKHS-LBPRGKRZSA-N 1 0 189.302 2.702 10 0 AFAERO CC(C)(C)[C@@H]1CC[C@H]2[NH2+]CC[C@H]2C1 250678407 572514657 /nfs/dbraw/zinc/51/46/57/572514657.db2.gz CHKWWJXLCKXKLB-HBNTYKKESA-N 1 0 181.323 2.811 10 0 AFAERO CC(C)=C[C@@](C)(F)CCCC[NH3+] 308046938 572514790 /nfs/dbraw/zinc/51/47/90/572514790.db2.gz PVWUURLDWBGRBA-JTQLQIEISA-N 1 0 173.275 2.810 10 0 AFAERO CC[C@H](C)[C@@H]([NH3+])CCCOC(C)C 689537653 572515232 /nfs/dbraw/zinc/51/52/32/572515232.db2.gz VNVUPPWAXWWFDZ-QWRGUYRKSA-N 1 0 187.327 2.565 10 0 AFAERO Cc1cc(C)c(C[C@@H](C)C[NH3+])c(F)c1 235108352 572514834 /nfs/dbraw/zinc/51/48/34/572514834.db2.gz JHTBICISGBERFO-SECBINFHSA-N 1 0 195.281 2.580 10 0 AFAERO CC[C@@H](C)[C@H]([NH3+])CCCOC(C)C 689537651 572514866 /nfs/dbraw/zinc/51/48/66/572514866.db2.gz VNVUPPWAXWWFDZ-GHMZBOCLSA-N 1 0 187.327 2.565 10 0 AFAERO C[NH2+]C[C@H](C)SCC1CCCC1 62837489 572514876 /nfs/dbraw/zinc/51/48/76/572514876.db2.gz JAIZWPZZKJVDCF-VIFPVBQESA-N 1 0 187.352 2.518 10 0 AFAERO CC[C@H](C)C[NH2+][C@@H]1CC[C@@H](F)C1 308046836 572514885 /nfs/dbraw/zinc/51/48/85/572514885.db2.gz PTRKALPHZVMHAI-IVZWLZJFSA-N 1 0 173.275 2.513 10 0 AFAERO CC[N@H+](C)[C@@H](C)CC1CCCC1 308051656 572515092 /nfs/dbraw/zinc/51/50/92/572515092.db2.gz SHUAGYIIVCHWND-JTQLQIEISA-N 1 0 169.312 2.907 10 0 AFAERO CC(C)CC[C@H](C)[NH+]1CCCC1 308047412 572515437 /nfs/dbraw/zinc/51/54/37/572515437.db2.gz QCJUZKMICVDCGP-NSHDSACASA-N 1 0 169.312 2.907 10 0 AFAERO Cc1occc1[C@H]([NH3+])CC(F)(F)F 74267919 572515845 /nfs/dbraw/zinc/51/58/45/572515845.db2.gz HTFULUWYLKOWOP-SSDOTTSWSA-N 1 0 193.168 2.540 10 0 AFAERO CC(C)(C)[C@@H]1CC[C@@H]2[NH2+]CC[C@H]2C1 250678404 572515902 /nfs/dbraw/zinc/51/59/02/572515902.db2.gz CHKWWJXLCKXKLB-AXFHLTTASA-N 1 0 181.323 2.811 10 0 AFAERO CC(C)=C[C@](C)(F)CCCC[NH3+] 308046942 572515915 /nfs/dbraw/zinc/51/59/15/572515915.db2.gz PVWUURLDWBGRBA-SNVBAGLBSA-N 1 0 173.275 2.810 10 0 AFAERO C1CCC(SC[C@H]2CCC[NH2+]C2)C1 62830753 572515964 /nfs/dbraw/zinc/51/59/64/572515964.db2.gz CCJBTNPMPABDNR-JTQLQIEISA-N 1 0 199.363 2.662 10 0 AFAERO CC[C@@H](C[C@H](C)[NH3+])c1ccco1 238281015 572516416 /nfs/dbraw/zinc/51/64/16/572516416.db2.gz NOBOLYFHCPSALA-IUCAKERBSA-N 1 0 167.252 2.511 10 0 AFAERO CCC[C@H](C)O[C@H]1CC[NH2+][C@H](CC)C1 307785415 572516345 /nfs/dbraw/zinc/51/63/45/572516345.db2.gz MGJHMNCLPYHUSX-TUAOUCFPSA-N 1 0 199.338 2.722 10 0 AFAERO CCOCC[C@H](C)C[C@@H]1CCCC[NH2+]1 238279960 572516625 /nfs/dbraw/zinc/51/66/25/572516625.db2.gz FATTWEVLUKNCNN-RYUDHWBXSA-N 1 0 199.338 2.581 10 0 AFAERO CC[C@H](C)C[NH2+][C@H]1CC[C@@H](F)C1 308046828 572516629 /nfs/dbraw/zinc/51/66/29/572516629.db2.gz PTRKALPHZVMHAI-AEJSXWLSSA-N 1 0 173.275 2.513 10 0 AFAERO C[C@H](Cc1cccs1)[NH2+][C@@H]1C[C@H]1C 252710113 572516679 /nfs/dbraw/zinc/51/66/79/572516679.db2.gz FSGJUQBFOAHENE-FXPVBKGRSA-N 1 0 195.331 2.677 10 0 AFAERO CCNC(=[NH2+])[C@H](CC)c1ccccc1 238280528 572516786 /nfs/dbraw/zinc/51/67/86/572516786.db2.gz WSTXMFHQVFWWPA-LLVKDONJSA-N 1 0 190.290 2.767 10 0 AFAERO CCNC(=[NH2+])[C@@H](CC)c1ccccc1 238280438 572516837 /nfs/dbraw/zinc/51/68/37/572516837.db2.gz WSTXMFHQVFWWPA-NSHDSACASA-N 1 0 190.290 2.767 10 0 AFAERO CC(C)(C)CCO[C@H]1CCC[C@@H]1C[NH3+] 84239751 572516884 /nfs/dbraw/zinc/51/68/84/572516884.db2.gz GMRQFRDFAFAOBP-MNOVXSKESA-N 1 0 199.338 2.567 10 0 AFAERO CC[C@H](C)C[NH2+][C@@H]1CC[C@H](F)C1 308046840 572516953 /nfs/dbraw/zinc/51/69/53/572516953.db2.gz PTRKALPHZVMHAI-LPEHRKFASA-N 1 0 173.275 2.513 10 0 AFAERO CC[C@H](C)CO[C@@H]1CCCC[C@@H]1C[NH3+] 84241961 572517063 /nfs/dbraw/zinc/51/70/63/572517063.db2.gz CFLHXBJEHDBFIR-QJPTWQEYSA-N 1 0 199.338 2.567 10 0 AFAERO CSc1ccc(C)cc1C[C@@H](C)[NH3+] 235109918 572517085 /nfs/dbraw/zinc/51/70/85/572517085.db2.gz QFELOKVMSQXPAL-SECBINFHSA-N 1 0 195.331 2.607 10 0 AFAERO CCC[C@@H]([NH3+])c1c[nH]c2c1CCCC2 74268472 572517185 /nfs/dbraw/zinc/51/71/85/572517185.db2.gz KRHMVGLXKNXNLP-LLVKDONJSA-N 1 0 192.306 2.693 10 0 AFAERO [NH3+][C@H]1C=CCCCCCCC1 307785138 572517325 /nfs/dbraw/zinc/51/73/25/572517325.db2.gz BLHXMGFYGPHALU-JTQLQIEISA-N 1 0 153.269 2.614 10 0 AFAERO C[C@@H]([NH3+])c1ccc(-c2ccco2)cc1 69319579 572517401 /nfs/dbraw/zinc/51/74/01/572517401.db2.gz VTHBGWRHQPFIOG-SECBINFHSA-N 1 0 187.242 2.966 10 0 AFAERO CSc1ccc(C)cc1C[C@H](C)[NH3+] 235109951 572517506 /nfs/dbraw/zinc/51/75/06/572517506.db2.gz QFELOKVMSQXPAL-VIFPVBQESA-N 1 0 195.331 2.607 10 0 AFAERO C[C@H](Cc1cccs1)[NH2+][C@H]1C[C@H]1C 252710114 572517612 /nfs/dbraw/zinc/51/76/12/572517612.db2.gz FSGJUQBFOAHENE-KKZNHRDASA-N 1 0 195.331 2.677 10 0 AFAERO CC[C@@H]([NH3+])c1ccc2ncsc2c1 74268532 572517628 /nfs/dbraw/zinc/51/76/28/572517628.db2.gz GGVRKULWURJXCN-MRVPVSSYSA-N 1 0 192.287 2.706 10 0 AFAERO CCc1ccncc1[C@@H]([NH3+])CC(C)C 74268396 572517688 /nfs/dbraw/zinc/51/76/88/572517688.db2.gz XSFIWJFUXWCMQP-LBPRGKRZSA-N 1 0 192.306 2.690 10 0 AFAERO CCC[C@H](C)O[C@H]1CC[NH2+][C@@H](CC)C1 307785413 572517806 /nfs/dbraw/zinc/51/78/06/572517806.db2.gz MGJHMNCLPYHUSX-SRVKXCTJSA-N 1 0 199.338 2.722 10 0 AFAERO CCC[C@H](C)O[C@@H]1CC[NH2+][C@H](CC)C1 307785403 572517900 /nfs/dbraw/zinc/51/79/00/572517900.db2.gz MGJHMNCLPYHUSX-QJPTWQEYSA-N 1 0 199.338 2.722 10 0 AFAERO CC(C)C[C@@H]([NH3+])c1cc2cc[nH]c2o1 74269180 572517947 /nfs/dbraw/zinc/51/79/47/572517947.db2.gz WIXDGJDCSMYCDK-SECBINFHSA-N 1 0 192.262 2.807 10 0 AFAERO [NH3+][C@@H](CC1CCCCC1)c1cc[nH]c1 74268466 572518111 /nfs/dbraw/zinc/51/81/11/572518111.db2.gz OICWNZFVHXMFQE-LBPRGKRZSA-N 1 0 192.306 2.985 10 0 AFAERO CC(C)C[C@H]([NH3+])c1cc2cc[nH]c2o1 74269178 572518116 /nfs/dbraw/zinc/51/81/16/572518116.db2.gz WIXDGJDCSMYCDK-VIFPVBQESA-N 1 0 192.262 2.807 10 0 AFAERO CC(C)[C@H](c1ccccn1)C(C)(C)[NH3+] 74268373 572518168 /nfs/dbraw/zinc/51/81/68/572518168.db2.gz XNYNVQVFJXIIOM-LLVKDONJSA-N 1 0 192.306 2.559 10 0 AFAERO CCOCC[C@H](C)C[C@H]1CCCC[NH2+]1 238279973 572518237 /nfs/dbraw/zinc/51/82/37/572518237.db2.gz FATTWEVLUKNCNN-NWDGAFQWSA-N 1 0 199.338 2.581 10 0 AFAERO CCC[C@H](C)O[C@@H]1CC[NH2+][C@@H](CC)C1 307785408 572518343 /nfs/dbraw/zinc/51/83/43/572518343.db2.gz MGJHMNCLPYHUSX-SDDRHHMPSA-N 1 0 199.338 2.722 10 0 AFAERO Cn1cccc1[C@@H]([NH3+])CC1CCCC1 74268456 572518454 /nfs/dbraw/zinc/51/84/54/572518454.db2.gz RTFOBVJVQNESAK-NSHDSACASA-N 1 0 192.306 2.605 10 0 AFAERO C[C@H](CCC1CC1)[NH+]1CCCC1 308051982 572518486 /nfs/dbraw/zinc/51/84/86/572518486.db2.gz SLEOQFOQTZBQCB-SNVBAGLBSA-N 1 0 167.296 2.661 10 0 AFAERO CCc1ccncc1[C@H]([NH3+])CC(C)C 74268394 572518528 /nfs/dbraw/zinc/51/85/28/572518528.db2.gz XSFIWJFUXWCMQP-GFCCVEGCSA-N 1 0 192.306 2.690 10 0 AFAERO CC[C@H]([NH3+])c1cccc2scnc12 74268527 572518540 /nfs/dbraw/zinc/51/85/40/572518540.db2.gz KGRRIZGMVYJOIU-QMMMGPOBSA-N 1 0 192.287 2.706 10 0 AFAERO CC(C)(C)CCO[C@@H]1CCC[C@H]1C[NH3+] 84239754 572519706 /nfs/dbraw/zinc/51/97/06/572519706.db2.gz GMRQFRDFAFAOBP-WDEREUQCSA-N 1 0 199.338 2.567 10 0 AFAERO CCC[C@H]([NH3+])c1c[nH]c2c1CCCC2 74268469 572519084 /nfs/dbraw/zinc/51/90/84/572519084.db2.gz KRHMVGLXKNXNLP-NSHDSACASA-N 1 0 192.306 2.693 10 0 AFAERO CC[C@@H]1CC[N@@H+]2CCCC[C@H]2C1 256001599 572519166 /nfs/dbraw/zinc/51/91/66/572519166.db2.gz SKIXEGJWQFEBJI-MNOVXSKESA-N 1 0 167.296 2.661 10 0 AFAERO CC(C)[C@@H](c1ccccn1)C(C)(C)[NH3+] 74268370 572519184 /nfs/dbraw/zinc/51/91/84/572519184.db2.gz XNYNVQVFJXIIOM-NSHDSACASA-N 1 0 192.306 2.559 10 0 AFAERO CCc1ccncc1[C@@H]([NH3+])[C@H](C)CC 74268410 572519214 /nfs/dbraw/zinc/51/92/14/572519214.db2.gz UVOPKGCPIKMGDP-SKDRFNHKSA-N 1 0 192.306 2.690 10 0 AFAERO CC[C@@H]([NH3+])c1cccc2scnc12 74268529 572519223 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189.302 2.926 10 0 AFAERO Cc1cccc(/C=C/C[NH2+]C2CC2)c1 84450786 572558204 /nfs/dbraw/zinc/55/82/04/572558204.db2.gz FDOLYNXBXZXMJY-ZZXKWVIFSA-N 1 0 187.286 2.760 10 0 AFAERO C[NH2+]CC/C=C(\C)c1cccc(F)c1 84454005 572558214 /nfs/dbraw/zinc/55/82/14/572558214.db2.gz HMNXLZDASCPPIX-BJMVGYQFSA-N 1 0 193.265 2.839 10 0 AFAERO CC(C)[C@H](C)[C@@H]([NH3+])C1=CCCC1 69686818 572558297 /nfs/dbraw/zinc/55/82/97/572558297.db2.gz RVKCKJLXSJRMSM-GXSJLCMTSA-N 1 0 167.296 2.716 10 0 AFAERO C[C@H]([NH3+])c1ccc(C2(C)CC2)c(F)c1 714028811 572558350 /nfs/dbraw/zinc/55/83/50/572558350.db2.gz NPGDSMQGSBIGTM-QMMMGPOBSA-N 1 0 193.265 2.897 10 0 AFAERO CC(C)[C@@H]1C[C@]1([NH3+])[C@H]1CCCSC1 251268518 572558387 /nfs/dbraw/zinc/55/83/87/572558387.db2.gz BHYWFQFEKGUHIZ-DCAQKATOSA-N 1 0 199.363 2.503 10 0 AFAERO CC[C@H](CC1CCCC1)[NH2+]C 53826509 572558440 /nfs/dbraw/zinc/55/84/40/572558440.db2.gz RUFAQSLTNMZGMW-SNVBAGLBSA-N 1 0 155.285 2.565 10 0 AFAERO C[C@@H]1CC[C@H](N2CCCC2=[NH2+])[C@H](C)C1 69676446 572558484 /nfs/dbraw/zinc/55/84/84/572558484.db2.gz QILYTAVHQGLSIA-MXWKQRLJSA-N 1 0 194.322 2.884 10 0 AFAERO Cc1ccc(/C=C/C[NH2+]C2CC2)cc1 84450781 572558513 /nfs/dbraw/zinc/55/85/13/572558513.db2.gz SUVMXQICMWGTFD-NSCUHMNNSA-N 1 0 187.286 2.760 10 0 AFAERO CCCC[C@H](CC)COC1CC([NH3+])C1 84450467 572559208 /nfs/dbraw/zinc/55/92/08/572559208.db2.gz PKWACTLWSXEWLD-UNXYVOJBSA-N 1 0 199.338 2.709 10 0 AFAERO C[NH2+]CC/C=C/c1ccc(C)cc1C 84451535 572558570 /nfs/dbraw/zinc/55/85/70/572558570.db2.gz STDSQCPFGSHNRG-GQCTYLIASA-N 1 0 189.302 2.926 10 0 AFAERO CCc1ccc(/C=C/CC[NH2+]C)cc1 84451529 572558614 /nfs/dbraw/zinc/55/86/14/572558614.db2.gz HZLRYOQPBQBOAR-GQCTYLIASA-N 1 0 189.302 2.872 10 0 AFAERO CC(C)CCC/C=C/[C@@H](C)[NH3+] 307809406 572558766 /nfs/dbraw/zinc/55/87/66/572558766.db2.gz XTGMYFOYDZQQLI-QEHWCHDUSA-N 1 0 155.285 2.716 10 0 AFAERO C1C[C@@H]2CCC[C@@H]2[C@@H]([NH2+]C2CC2)C1 251274714 572558768 /nfs/dbraw/zinc/55/87/68/572558768.db2.gz MEZONUKPWURMDV-DLOVCJGASA-N 1 0 179.307 2.707 10 0 AFAERO CCC[NH2+][C@H]1CC[C@@H](SCC)C1 84434965 572558782 /nfs/dbraw/zinc/55/87/82/572558782.db2.gz GKLKHLFMWUPVLP-VHSXEESVSA-N 1 0 187.352 2.660 10 0 AFAERO CCCCSC[C@H]([NH3+])[C@@H](C)CC 87541021 572559043 /nfs/dbraw/zinc/55/90/43/572559043.db2.gz YRVOZQRRHDQUHS-UWVGGRQHSA-N 1 0 189.368 2.893 10 0 AFAERO CC(C)[C@@H](C)[C@H]([NH3+])C1=CCCC1 69686811 572559068 /nfs/dbraw/zinc/55/90/68/572559068.db2.gz RVKCKJLXSJRMSM-KOLCDFICSA-N 1 0 167.296 2.716 10 0 AFAERO CCCC[C@@H]([NH3+])C1CCCC1 53829933 572559134 /nfs/dbraw/zinc/55/91/34/572559134.db2.gz WJARSXWLZGNFOU-SNVBAGLBSA-N 1 0 155.285 2.694 10 0 AFAERO C[NH2+]CC/C=C/c1ccc(F)c(C)c1 84453998 572559147 /nfs/dbraw/zinc/55/91/47/572559147.db2.gz FUEJMANWKULJPH-HWKANZROSA-N 1 0 193.265 2.757 10 0 AFAERO CCCCSC[C@@H]([NH3+])[C@H](C)CC 87541024 572559201 /nfs/dbraw/zinc/55/92/01/572559201.db2.gz YRVOZQRRHDQUHS-NXEZZACHSA-N 1 0 189.368 2.893 10 0 AFAERO C(\CCc1ccccc1)=C1\CC[NH2+]C1 84450805 572559246 /nfs/dbraw/zinc/55/92/46/572559246.db2.gz GBWRGDHLVFMBSE-MDWZMJQESA-N 1 0 187.286 2.539 10 0 AFAERO Fc1ccccc1/C=C/C[NH2+]C1CC1 84452779 572559259 /nfs/dbraw/zinc/55/92/59/572559259.db2.gz MOHHGSGBZIKRLZ-HWKANZROSA-N 1 0 191.249 2.591 10 0 AFAERO CC[C@H](C)S[C@@H]1CC[C@H]([NH2+]C)C1 84434983 572559543 /nfs/dbraw/zinc/55/95/43/572559543.db2.gz DMHPGKLIHNYHRT-LPEHRKFASA-N 1 0 187.352 2.659 10 0 AFAERO CCCCSC[C@@H]([NH3+])C(C)C 87541034 572559572 /nfs/dbraw/zinc/55/95/72/572559572.db2.gz IDBJHBKIFXDVJY-SECBINFHSA-N 1 0 175.341 2.503 10 0 AFAERO Cc1ccccc1/C=C/C[NH2+]C1CC1 84450784 572559627 /nfs/dbraw/zinc/55/96/27/572559627.db2.gz RERHKIJEDDOYFI-QPJJXVBHSA-N 1 0 187.286 2.760 10 0 AFAERO C1C[C@H]2CCC[C@@H]([NH2+]C3CC3)[C@H]2C1 251274716 572559656 /nfs/dbraw/zinc/55/96/56/572559656.db2.gz MEZONUKPWURMDV-ZMLRMANQSA-N 1 0 179.307 2.707 10 0 AFAERO CC[C@@H](C)S[C@H]1CC[C@H]([NH2+]C)C1 84434985 572559693 /nfs/dbraw/zinc/55/96/93/572559693.db2.gz DMHPGKLIHNYHRT-UTLUCORTSA-N 1 0 187.352 2.659 10 0 AFAERO CCC[NH2+][C@@H]1CC[C@@H](SCC)C1 84434962 572559747 /nfs/dbraw/zinc/55/97/47/572559747.db2.gz GKLKHLFMWUPVLP-NXEZZACHSA-N 1 0 187.352 2.660 10 0 AFAERO CCCCSC[C@H]([NH2+]C)C(C)C 87541019 572559861 /nfs/dbraw/zinc/55/98/61/572559861.db2.gz ZMSXXHKGFLVARF-JTQLQIEISA-N 1 0 189.368 2.764 10 0 AFAERO CC[C@@H]([NH2+]C)c1c(F)cccc1OC 87545167 572559964 /nfs/dbraw/zinc/55/99/64/572559964.db2.gz SUBGEXRVFNRXNW-SECBINFHSA-N 1 0 197.253 2.505 10 0 AFAERO CCCCOc1c(C)cccc1C[NH3+] 84454300 572560066 /nfs/dbraw/zinc/56/00/66/572560066.db2.gz MCDIOSMIGQOHOV-UHFFFAOYSA-N 1 0 193.290 2.633 10 0 AFAERO CCCCSC[C@@H]([NH3+])[C@@H](C)CC 87541022 572560452 /nfs/dbraw/zinc/56/04/52/572560452.db2.gz YRVOZQRRHDQUHS-VHSXEESVSA-N 1 0 189.368 2.893 10 0 AFAERO CCCCSC[C@H]([NH3+])[C@H](C)CC 87541023 572560508 /nfs/dbraw/zinc/56/05/08/572560508.db2.gz YRVOZQRRHDQUHS-ZJUUUORDSA-N 1 0 189.368 2.893 10 0 AFAERO C[NH2+][C@H](C)[C@@H](OCl)c1ccccc1 238325934 572560613 /nfs/dbraw/zinc/56/06/13/572560613.db2.gz QEWURGONEOPHSL-PSASIEDQSA-N 1 0 199.681 2.506 10 0 AFAERO CC(C)[N@H+](C)CCc1ccsc1 308063237 572560620 /nfs/dbraw/zinc/56/06/20/572560620.db2.gz XJJPKIJZLRFXGY-UHFFFAOYSA-N 1 0 183.320 2.631 10 0 AFAERO CC[C@H](CC(C)C)[C@H]([NH3+])C1CC1 308062087 572560763 /nfs/dbraw/zinc/56/07/63/572560763.db2.gz IFBDFJOEJWZALU-KOLCDFICSA-N 1 0 169.312 2.796 10 0 AFAERO Cc1cc(C)c([C@H](C)[C@@H](C)[NH3+])c(F)c1 235158524 572560964 /nfs/dbraw/zinc/56/09/64/572560964.db2.gz WRQZSKSBTDGLAC-NXEZZACHSA-N 1 0 195.281 2.893 10 0 AFAERO CCCCSC[C@@H]([NH2+]C)C(C)C 87541020 572561001 /nfs/dbraw/zinc/56/10/01/572561001.db2.gz ZMSXXHKGFLVARF-SNVBAGLBSA-N 1 0 189.368 2.764 10 0 AFAERO CCCC[C@H]([NH3+])C1CCCC1 53829931 572561015 /nfs/dbraw/zinc/56/10/15/572561015.db2.gz WJARSXWLZGNFOU-JTQLQIEISA-N 1 0 155.285 2.694 10 0 AFAERO CC(C)C[C@@H](C)[N@H+](C)C(C)C 197748789 572561126 /nfs/dbraw/zinc/56/11/26/572561126.db2.gz WIWAGKRYCMLGJQ-SNVBAGLBSA-N 1 0 157.301 2.761 10 0 AFAERO CC[NH2+][C@@H](C)c1cccc2[nH]ccc12 714037284 572561346 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COC(C)(C)CCC[C@H]1CCCC[NH2+]1 238327585 572562267 /nfs/dbraw/zinc/56/22/67/572562267.db2.gz ZZBDMEVZOJJVAL-LLVKDONJSA-N 1 0 199.338 2.724 10 0 AFAERO CCC[NH2+]C[C@@H](CCC)OC(C)C 308062314 572562347 /nfs/dbraw/zinc/56/23/47/572562347.db2.gz FZAFXPAMRSUIFQ-LLVKDONJSA-N 1 0 187.327 2.580 10 0 AFAERO CC[C@H](CC(C)C)[C@@H]([NH3+])C1CC1 308062088 572562384 /nfs/dbraw/zinc/56/23/84/572562384.db2.gz IFBDFJOEJWZALU-MWLCHTKSSA-N 1 0 169.312 2.796 10 0 AFAERO CC[C@@H](CC(C)C)[C@@H]([NH3+])C1CC1 308062086 572562494 /nfs/dbraw/zinc/56/24/94/572562494.db2.gz IFBDFJOEJWZALU-GXSJLCMTSA-N 1 0 169.312 2.796 10 0 AFAERO CCc1cc(F)ccc1CC[C@H](C)[NH3+] 238330905 572562925 /nfs/dbraw/zinc/56/29/25/572562925.db2.gz DNTCQWJYVUXABW-VIFPVBQESA-N 1 0 195.281 2.668 10 0 AFAERO CC[C@H](C)[C@@H](COC1CCCC1)[NH2+]C 87532704 572562978 /nfs/dbraw/zinc/56/29/78/572562978.db2.gz CEJQWZVMNKJQLO-CMPLNLGQSA-N 1 0 199.338 2.580 10 0 AFAERO C[NH2+][C@@H](COC1CCCCC1)C(C)C 87532653 572563006 /nfs/dbraw/zinc/56/30/06/572563006.db2.gz FSTHCEBITUJEDP-LBPRGKRZSA-N 1 0 199.338 2.580 10 0 AFAERO C[NH2+][C@H](C=C(C)C)c1cnc(C)s1 234479049 572563062 /nfs/dbraw/zinc/56/30/62/572563062.db2.gz YCLHZBXXNUUICZ-SECBINFHSA-N 1 0 196.319 2.678 10 0 AFAERO CC[C@H](C)[C@H](COC1CCCC1)[NH2+]C 87532707 572563094 /nfs/dbraw/zinc/56/30/94/572563094.db2.gz CEJQWZVMNKJQLO-JQWIXIFHSA-N 1 0 199.338 2.580 10 0 AFAERO C[NH2+][C@H](C=C(C)C)[C@@H]1CC1(C)C 234477489 572563234 /nfs/dbraw/zinc/56/32/34/572563234.db2.gz VUKHQIBERFAQQF-VHSXEESVSA-N 1 0 167.296 2.587 10 0 AFAERO CC[NH2+][C@H](COC1CCCC1)C(C)C 87532680 572563329 /nfs/dbraw/zinc/56/33/29/572563329.db2.gz LJHBXKBIGKVBCO-GFCCVEGCSA-N 1 0 199.338 2.580 10 0 AFAERO CC[NH2+][C@@H](COC1CCCC1)C(C)C 87532678 572563633 /nfs/dbraw/zinc/56/36/33/572563633.db2.gz LJHBXKBIGKVBCO-LBPRGKRZSA-N 1 0 199.338 2.580 10 0 AFAERO CC[C@@H](C)[C@H]([NH3+])COC(C)(C)CC 87533850 572563742 /nfs/dbraw/zinc/56/37/42/572563742.db2.gz BLIHDJUVISJRRF-NXEZZACHSA-N 1 0 187.327 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NLUJTQDRTMQKBH-WCBMZHEXSA-N 1 0 155.285 2.550 10 0 AFAERO CCCCC[C@H](CC1CC1)[NH2+]C 87582335 572575938 /nfs/dbraw/zinc/57/59/38/572575938.db2.gz BIQUKTRQZDVVBN-LLVKDONJSA-N 1 0 169.312 2.955 10 0 AFAERO CCC[NH2+][C@H](CCC)C1(C)CC1 87553221 572575945 /nfs/dbraw/zinc/57/59/45/572575945.db2.gz UYRHYRNYEFJKIG-SNVBAGLBSA-N 1 0 169.312 2.955 10 0 AFAERO [NH3+][C@@H](CCc1cccs1)CC1CC1 87581754 572575988 /nfs/dbraw/zinc/57/59/88/572575988.db2.gz OVAXHMPTEGXXGT-JTQLQIEISA-N 1 0 195.331 2.808 10 0 AFAERO CCC[NH2+][C@H](COC(C)C)C1(C)CC1 87553213 572576016 /nfs/dbraw/zinc/57/60/16/572576016.db2.gz AAGCSJKSIKSLLE-LLVKDONJSA-N 1 0 199.338 2.580 10 0 AFAERO CC[C@@H](C)C[C@@H]([NH3+])CC1CC1 87581866 572576161 /nfs/dbraw/zinc/57/61/61/572576161.db2.gz NLUJTQDRTMQKBH-PSASIEDQSA-N 1 0 155.285 2.550 10 0 AFAERO CC[NH+](CC)CCC(=O)CC(C)(C)C 713314246 572576170 /nfs/dbraw/zinc/57/61/70/572576170.db2.gz ICGMPEKLMNHPGF-UHFFFAOYSA-N 1 0 199.338 2.724 10 0 AFAERO CCCCC[C@@H]([NH3+])CC1CC1 87581857 572576179 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/nfs/dbraw/zinc/57/74/09/572577409.db2.gz DQSCAQDPYWHMFB-SECBINFHSA-N 1 0 155.285 2.565 10 0 AFAERO CCC(CC)[C@@H]([NH3+])CC1CC1 87581979 572577413 /nfs/dbraw/zinc/57/74/13/572577413.db2.gz CJBNCOTXBCXRCN-JTQLQIEISA-N 1 0 155.285 2.550 10 0 AFAERO [NH3+][C@H](c1ccccc1)C1C[C@@H]2C[C@@H]2C1 87563875 572577451 /nfs/dbraw/zinc/57/74/51/572577451.db2.gz WWMSZBVELXIBPP-ZGVCCVRISA-N 1 0 187.286 2.733 10 0 AFAERO CC[C@@H](C)C[C@@H](CC1CC1)[NH2+]C 87582352 572577564 /nfs/dbraw/zinc/57/75/64/572577564.db2.gz PJIDGIJFUUBLET-KOLCDFICSA-N 1 0 169.312 2.811 10 0 AFAERO CCC[NH2+][C@H](COCCC)C1(C)CC1 87553283 572577587 /nfs/dbraw/zinc/57/75/87/572577587.db2.gz SJXVILMVZBULHV-LLVKDONJSA-N 1 0 199.338 2.581 10 0 AFAERO CC(C)C[C@@H]([NH3+])[C@@H](C)C(F)(F)F 74299503 572577882 /nfs/dbraw/zinc/57/78/82/572577882.db2.gz UAMJKTXFGRIUSP-RNFRBKRXSA-N 1 0 183.217 2.558 10 0 AFAERO CCOCCCC1([NH3+])CC(C(C)C)C1 689476771 572578048 /nfs/dbraw/zinc/57/80/48/572578048.db2.gz IPGXBQKTRBKWGK-UHFFFAOYSA-N 1 0 199.338 2.567 10 0 AFAERO CC(C)C[C@@H]([NH3+])[C@H](C)C(F)(F)F 74299506 572578117 /nfs/dbraw/zinc/57/81/17/572578117.db2.gz UAMJKTXFGRIUSP-NKWVEPMBSA-N 1 0 183.217 2.558 10 0 AFAERO CC[NH2+][C@H](CC1CCC1)CC1CC1 87582741 572578433 /nfs/dbraw/zinc/57/84/33/572578433.db2.gz MNVUZKPKOSQZQA-GFCCVEGCSA-N 1 0 181.323 2.955 10 0 AFAERO CC(C)C(=[NH2+])N1CCCC(C)(C)C1 69795892 572578521 /nfs/dbraw/zinc/57/85/21/572578521.db2.gz KVTPVDIDUHRMQD-UHFFFAOYSA-N 1 0 182.311 2.742 10 0 AFAERO CC[NH2+][C@H](C=C(C)C)CC1CC1 87582646 572578632 /nfs/dbraw/zinc/57/86/32/572578632.db2.gz JQHWUNLEHFAFNR-LLVKDONJSA-N 1 0 167.296 2.731 10 0 AFAERO CC(C)[C@H](C(C)(C)[NH3+])C(F)(F)F 74299514 572578820 /nfs/dbraw/zinc/57/88/20/572578820.db2.gz ZYRJRWNHCGRQSN-ZCFIWIBFSA-N 1 0 183.217 2.558 10 0 AFAERO CCC[NH2+]C(CC1CC1)CC1CC1 87583075 572578822 /nfs/dbraw/zinc/57/88/22/572578822.db2.gz LDIXKIOVQLGNFE-UHFFFAOYSA-N 1 0 181.323 2.955 10 0 AFAERO C[C@H]1C[NH2+][C@@]2(CCCC[C@@H]2C)SC1 87604532 572578936 /nfs/dbraw/zinc/57/89/36/572578936.db2.gz AXKFMXNVRHCFHX-DCAQKATOSA-N 1 0 199.363 2.865 10 0 AFAERO CC(C)(C)C[C@H](C[NH3+])C(F)(F)F 74299522 572579043 /nfs/dbraw/zinc/57/90/43/572579043.db2.gz VMOGOEWRZICZEB-ZCFIWIBFSA-N 1 0 183.217 2.560 10 0 AFAERO CC(C)C[C@H]([NH3+])[C@@H](C)C(F)(F)F 74299500 572579109 /nfs/dbraw/zinc/57/91/09/572579109.db2.gz UAMJKTXFGRIUSP-RQJHMYQMSA-N 1 0 183.217 2.558 10 0 AFAERO CC(C)C[C@H]([NH3+])[C@H](C)C(F)(F)F 74299504 572579211 /nfs/dbraw/zinc/57/92/11/572579211.db2.gz UAMJKTXFGRIUSP-BQBZGAKWSA-N 1 0 183.217 2.558 10 0 AFAERO CCC[NH2+][C@H](COC(C)C)CC1CC1 87583085 572579296 /nfs/dbraw/zinc/57/92/96/572579296.db2.gz OWCJBGIEJOVDCW-LBPRGKRZSA-N 1 0 199.338 2.580 10 0 AFAERO CC(C)[C@@H](C(C)(C)[NH3+])C(F)(F)F 74299512 572579419 /nfs/dbraw/zinc/57/94/19/572579419.db2.gz ZYRJRWNHCGRQSN-LURJTMIESA-N 1 0 183.217 2.558 10 0 AFAERO CC[NH2+]C(CC1CC1)CC1CC1 87582743 572579448 /nfs/dbraw/zinc/57/94/48/572579448.db2.gz WJYWUYMMTLKLOB-UHFFFAOYSA-N 1 0 167.296 2.565 10 0 AFAERO C[C@@H](C=C1CC([NH3+])C1)CC(F)(F)F 402812246 572579752 /nfs/dbraw/zinc/57/97/52/572579752.db2.gz CBHKIBWZQAMOFZ-UUEFVBAFSA-N 1 0 193.212 2.622 10 0 AFAERO CCC[NH2+][C@@H]1CCCC[C@H]1C1CC1 70736272 572583560 /nfs/dbraw/zinc/58/35/60/572583560.db2.gz ORCQRMWYVGYEBO-NWDGAFQWSA-N 1 0 181.323 2.955 10 0 AFAERO CC[C@@H]1CC[C@H]2CCCC[C@@]12C[NH3+] 251575796 572579774 /nfs/dbraw/zinc/57/97/74/572579774.db2.gz JGGYKCGMHHBJHO-IJLUTSLNSA-N 1 0 181.323 2.942 10 0 AFAERO CC[C@@H]1CC[C@@H]2CCCC[C@]21C[NH3+] 251575789 572579866 /nfs/dbraw/zinc/57/98/66/572579866.db2.gz JGGYKCGMHHBJHO-GRYCIOLGSA-N 1 0 181.323 2.942 10 0 AFAERO CCC[NH2+][C@@H](COC(C)C)CC1CC1 87583086 572579921 /nfs/dbraw/zinc/57/99/21/572579921.db2.gz OWCJBGIEJOVDCW-GFCCVEGCSA-N 1 0 199.338 2.580 10 0 AFAERO Cl/C=C/C[NH2+]CCc1ccccc1 236013664 572579935 /nfs/dbraw/zinc/57/99/35/572579935.db2.gz OTUWNMAEYGKYRX-XBXARRHUSA-N 1 0 195.693 2.571 10 0 AFAERO C[C@H]1C[NH2+][C@]2(CCCC[C@@H]2C)SC1 87604534 572579945 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/nfs/dbraw/zinc/64/70/42/572647042.db2.gz FDWORUZNJKJRGC-UWVGGRQHSA-N 1 0 155.285 2.552 10 0 AFAERO C[C@H]([NH2+]C[C@H]1CCCS1)C1(C)CC1 87667932 572647158 /nfs/dbraw/zinc/64/71/58/572647158.db2.gz WFKCVPXCIBSBOC-VHSXEESVSA-N 1 0 199.363 2.660 10 0 AFAERO CC/C(=C\c1occc1C)C[NH2+]C 308085258 572647322 /nfs/dbraw/zinc/64/73/22/572647322.db2.gz GHEBIOUATFJPEX-JXMROGBWSA-N 1 0 179.263 2.601 10 0 AFAERO CCC[C@@H](C)[NH2+]C[C@@H]1CCCS1 87667934 572647418 /nfs/dbraw/zinc/64/74/18/572647418.db2.gz ITVMIISPVVBOTD-ZJUUUORDSA-N 1 0 187.352 2.660 10 0 AFAERO CCCCC[C@H](C)[C@@H]1CC[NH2+]C1 87649779 572647476 /nfs/dbraw/zinc/64/74/76/572647476.db2.gz JGAVPNNTMMZSCN-WDEREUQCSA-N 1 0 169.312 2.812 10 0 AFAERO CCCCC[C@@]1(C)C[C@@H]1C[NH2+]C 87649698 572647620 /nfs/dbraw/zinc/64/76/20/572647620.db2.gz BTGYFOTUNOTKIK-MNOVXSKESA-N 1 0 169.312 2.812 10 0 AFAERO CCCCC[C@H](C)[C@H]1CC[NH2+]C1 87649781 572647724 /nfs/dbraw/zinc/64/77/24/572647724.db2.gz JGAVPNNTMMZSCN-QWRGUYRKSA-N 1 0 169.312 2.812 10 0 AFAERO C[NH2+]C[C@@H]1C[C@@H]2CC[C@H](C)C[C@H]2C1 251818835 572647800 /nfs/dbraw/zinc/64/78/00/572647800.db2.gz MULCEEVVAFEVBR-USZNOCQGSA-N 1 0 181.323 2.668 10 0 AFAERO C[NH2+]C[C@@H]1C[C@@H]2CC[C@H](C)C[C@@H]2C1 251818836 572647820 /nfs/dbraw/zinc/64/78/20/572647820.db2.gz MULCEEVVAFEVBR-WHOHXGKFSA-N 1 0 181.323 2.668 10 0 AFAERO CCCCC[C@]1(C)C[NH2+][C@H](C)[C@H](C)O1 87649899 572647888 /nfs/dbraw/zinc/64/78/88/572647888.db2.gz VQIORBIRXQGJHQ-GRYCIOLGSA-N 1 0 199.338 2.722 10 0 AFAERO CCC=C(Cl)NC(=[NH2+])CCC 307852690 572647898 /nfs/dbraw/zinc/64/78/98/572647898.db2.gz DSUYFBASZOXPCR-ALCCZGGFSA-N 1 0 174.675 2.844 10 0 AFAERO CCCCC[C@]1(C)C[C@H]1C[NH3+] 87649695 572647918 /nfs/dbraw/zinc/64/79/18/572647918.db2.gz FDWORUZNJKJRGC-VHSXEESVSA-N 1 0 155.285 2.552 10 0 AFAERO CCCCC[C@@]1(C)C[C@@H]([NH2+]C)CCO1 87649762 572647950 /nfs/dbraw/zinc/64/79/50/572647950.db2.gz ONHDPSQMLKTXEJ-RYUDHWBXSA-N 1 0 199.338 2.724 10 0 AFAERO CCC[NH2+]C/C=C\c1occc1C 308082909 572647982 /nfs/dbraw/zinc/64/79/82/572647982.db2.gz BFRKLUSZQZAGMB-PLNGDYQASA-N 1 0 179.263 2.601 10 0 AFAERO CCCCC[C@@H](C)[C@@H]1CC[NH2+]C1 87649778 572648073 /nfs/dbraw/zinc/64/80/73/572648073.db2.gz JGAVPNNTMMZSCN-GHMZBOCLSA-N 1 0 169.312 2.812 10 0 AFAERO CCCCC[C@@H](F)C(C)(C)[NH3+] 307856380 572648102 /nfs/dbraw/zinc/64/81/02/572648102.db2.gz DQKLLCGBTJJCEF-MRVPVSSYSA-N 1 0 161.264 2.642 10 0 AFAERO CCCCC[NH2+]C[C@@H]1CCCS1 87667894 572648154 /nfs/dbraw/zinc/64/81/54/572648154.db2.gz LMQKUYGPVNHNDE-JTQLQIEISA-N 1 0 187.352 2.662 10 0 AFAERO CCC[C@@H](C)[NH2+]C[C@H]1CCCS1 87667936 572648174 /nfs/dbraw/zinc/64/81/74/572648174.db2.gz ITVMIISPVVBOTD-NXEZZACHSA-N 1 0 187.352 2.660 10 0 AFAERO C1CCC(C[NH2+]C[C@H]2CCCS2)C1 87667645 572648335 /nfs/dbraw/zinc/64/83/35/572648335.db2.gz RIFYCQRCNCFFIZ-LLVKDONJSA-N 1 0 199.363 2.662 10 0 AFAERO CCCCC[C@]1(C)C[C@H]1C[NH2+]C 87649699 572648545 /nfs/dbraw/zinc/64/85/45/572648545.db2.gz BTGYFOTUNOTKIK-WDEREUQCSA-N 1 0 169.312 2.812 10 0 AFAERO C[C@@H]([NH2+]C[C@@H]1CCCS1)C1(C)CC1 87667931 572648571 /nfs/dbraw/zinc/64/85/71/572648571.db2.gz WFKCVPXCIBSBOC-ZJUUUORDSA-N 1 0 199.363 2.660 10 0 AFAERO C[C@@H]([NH2+]C[C@H]1CCCS1)C1(C)CC1 87667933 572648743 /nfs/dbraw/zinc/64/87/43/572648743.db2.gz WFKCVPXCIBSBOC-NXEZZACHSA-N 1 0 199.363 2.660 10 0 AFAERO CCC[C@H](C)[NH2+]C[C@H]1CCCS1 87667937 572648984 /nfs/dbraw/zinc/64/89/84/572648984.db2.gz ITVMIISPVVBOTD-VHSXEESVSA-N 1 0 187.352 2.660 10 0 AFAERO C[NH2+]C[C@@H]1C[C@@H]2CC[C@@H](C)C[C@@H]2C1 251818838 572649295 /nfs/dbraw/zinc/64/92/95/572649295.db2.gz MULCEEVVAFEVBR-WISYIIOYSA-N 1 0 181.323 2.668 10 0 AFAERO CCCCC[C@@]1(C)C[C@H]1C[NH2+]C 87649700 572649327 /nfs/dbraw/zinc/64/93/27/572649327.db2.gz BTGYFOTUNOTKIK-QWRGUYRKSA-N 1 0 169.312 2.812 10 0 AFAERO CCCCC[C@H](F)C(C)(C)[NH3+] 307856381 572649356 /nfs/dbraw/zinc/64/93/56/572649356.db2.gz DQKLLCGBTJJCEF-QMMMGPOBSA-N 1 0 161.264 2.642 10 0 AFAERO C/C(=C/Cl)C[NH2+]CCC1CC1 307852689 572649438 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2.724 10 0 AFAERO CCC[C@H](C)[NH2+]C[C@@H]1CCCS1 87667935 572649866 /nfs/dbraw/zinc/64/98/66/572649866.db2.gz ITVMIISPVVBOTD-UWVGGRQHSA-N 1 0 187.352 2.660 10 0 AFAERO C1CCC(C[NH2+]C[C@@H]2CCCS2)C1 87667644 572649888 /nfs/dbraw/zinc/64/98/88/572649888.db2.gz RIFYCQRCNCFFIZ-NSHDSACASA-N 1 0 199.363 2.662 10 0 AFAERO CCCCC[C@]1(C)C[C@@H]1C[NH3+] 87649693 572649944 /nfs/dbraw/zinc/64/99/44/572649944.db2.gz FDWORUZNJKJRGC-NXEZZACHSA-N 1 0 155.285 2.552 10 0 AFAERO CC(C)/C(=C\[C@@H](C)C(C)C)C[NH3+] 308086253 572650160 /nfs/dbraw/zinc/65/01/60/572650160.db2.gz OHWIPHLSNVHWKX-CHPNCVJKSA-N 1 0 169.312 2.820 10 0 AFAERO CC(C)/C(=C/[C@@H](C)C(C)C)C[NH3+] 308086256 572650337 /nfs/dbraw/zinc/65/03/37/572650337.db2.gz OHWIPHLSNVHWKX-VUUNSECVSA-N 1 0 169.312 2.820 10 0 AFAERO Cc1cc([C@@H]2CCC[NH2+]2)cc(C)c1F 72201655 572650687 /nfs/dbraw/zinc/65/06/87/572650687.db2.gz FONOSXUVHOMARG-NSHDSACASA-N 1 0 193.265 2.867 10 0 AFAERO CC(C)/C(=C/[C@H](C)C(C)C)C[NH3+] 308086254 572651040 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572708459 /nfs/dbraw/zinc/70/84/59/572708459.db2.gz MMUZMUQRHDYYGH-GDPRMGEGSA-N 1 0 193.290 2.832 10 0 AFAERO C=COCCC[NH2+][C@H]1CCC(C)(C)C1 87769705 572708498 /nfs/dbraw/zinc/70/84/98/572708498.db2.gz NCOHHQDSFYRWTL-NSHDSACASA-N 1 0 197.322 2.705 10 0 AFAERO CCC[C@]1(C[NH3+])C[C@H]2CC[C@@H]1C2 54634640 572708518 /nfs/dbraw/zinc/70/85/18/572708518.db2.gz REPJUIXIIYODSY-HBNTYKKESA-N 1 0 167.296 2.552 10 0 AFAERO CC[C@]1(C[NH2+]C2CC2)C[C@H]2CC[C@@H]1C2 54639112 572708554 /nfs/dbraw/zinc/70/85/54/572708554.db2.gz HETWCYYXTIBKHR-DMDPSCGWSA-N 1 0 193.334 2.955 10 0 AFAERO CCc1ccc([C@@H]2C[C@H](C)[NH2+][C@@H]2C)o1 70586934 572708769 /nfs/dbraw/zinc/70/87/69/572708769.db2.gz DOIUVIDOFNRHPG-IQJOONFLSA-N 1 0 193.290 2.696 10 0 AFAERO CCC(CC)[C@@H]1C[C@H](C)[NH2+][C@@H]1C 70586962 572708713 /nfs/dbraw/zinc/70/87/13/572708713.db2.gz RNEOBGQJWBDVMT-IQJOONFLSA-N 1 0 169.312 2.809 10 0 AFAERO C[C@@H]1[NH2+][C@H](C)C[C@@H]1c1ccc(F)cc1 70587230 572708740 /nfs/dbraw/zinc/70/87/40/572708740.db2.gz 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C[C@H]1CCC[C@H](CC[NH2+]CCF)C1 87775207 572709160 /nfs/dbraw/zinc/70/91/60/572709160.db2.gz KYXINNXDTQZTPD-WDEREUQCSA-N 1 0 187.302 2.762 10 0 AFAERO CC(C)C[C@H](C)O[C@@H]1CCC[C@@H]1C[NH3+] 35236493 572715176 /nfs/dbraw/zinc/71/51/76/572715176.db2.gz XEWBYECLDOUABU-QJPTWQEYSA-N 1 0 199.338 2.565 10 0 AFAERO CC[NH2+][C@H](C)c1ccc(O)cc1Cl 70602924 572709181 /nfs/dbraw/zinc/70/91/81/572709181.db2.gz DPSQEZRUSYGCGM-SSDOTTSWSA-N 1 0 199.681 2.716 10 0 AFAERO C[C@@H]1CCC[C@H](CC[NH2+]CCF)C1 87775206 572709222 /nfs/dbraw/zinc/70/92/22/572709222.db2.gz KYXINNXDTQZTPD-GHMZBOCLSA-N 1 0 187.302 2.762 10 0 AFAERO CC[C@H](C)[C@@H]1C[C@H](C)[NH2+][C@@H]1CC 70587330 572709253 /nfs/dbraw/zinc/70/92/53/572709253.db2.gz BCVMBWGWSXDXNF-XWLWVQCSSA-N 1 0 169.312 2.809 10 0 AFAERO Cc1cc([C@@H]2C[NH2+][C@H](C)C2)ccc1F 70586897 572709333 /nfs/dbraw/zinc/70/93/33/572709333.db2.gz PYMDUCNDSQARMT-KOLCDFICSA-N 1 0 193.265 2.600 10 0 AFAERO CCc1ccc(/C=C(\C)[C@H](C)[NH3+])o1 308097126 572709438 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572710441 /nfs/dbraw/zinc/71/04/41/572710441.db2.gz DPSQEZRUSYGCGM-ZETCQYMHSA-N 1 0 199.681 2.716 10 0 AFAERO C[C@@H](C[NH3+])S[C@@H]1CCC[C@@H](C)C1 54692702 572716528 /nfs/dbraw/zinc/71/65/28/572716528.db2.gz DLOGXDUYAZWSDR-KXUCPTDWSA-N 1 0 187.352 2.646 10 0 AFAERO COCc1oc(C(C)C)cc1[C@H](C)[NH3+] 77086785 572710757 /nfs/dbraw/zinc/71/07/57/572710757.db2.gz GHNZERFJGSORBC-QMMMGPOBSA-N 1 0 197.278 2.569 10 0 AFAERO Cc1cc([C@H](C)[C@H]2CC[NH2+]C2)c(C)o1 70627869 572711082 /nfs/dbraw/zinc/71/10/82/572711082.db2.gz DVTUCKNMEJYQHC-KOLCDFICSA-N 1 0 193.290 2.609 10 0 AFAERO CC(C)CCC/C=C\CC[NH3+] 307880830 572711314 /nfs/dbraw/zinc/71/13/14/572711314.db2.gz ZCIJCFQKSUFRCX-HYXAFXHYSA-N 1 0 155.285 2.718 10 0 AFAERO CCCc1oc(C)cc1[C@H](C)[NH3+] 77080453 572711183 /nfs/dbraw/zinc/71/11/83/572711183.db2.gz WXHYSSADWOWBRA-QMMMGPOBSA-N 1 0 167.252 2.560 10 0 AFAERO C[C@H]1CCC[C@@H](CC[NH2+]CCF)C1 87775209 572711399 /nfs/dbraw/zinc/71/13/99/572711399.db2.gz KYXINNXDTQZTPD-QWRGUYRKSA-N 1 0 187.302 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/nfs/dbraw/zinc/72/55/51/572725551.db2.gz VHMHZFOCDSMSJU-SECBINFHSA-N 1 0 189.368 2.893 10 0 AFAERO CCC[C@H](C)[C@H]([NH3+])C1(CC)CC1 308104416 572725885 /nfs/dbraw/zinc/72/58/85/572725885.db2.gz HERVLLYNPKRIDN-UWVGGRQHSA-N 1 0 169.312 2.940 10 0 AFAERO CC[C@H]([NH3+])[C@H](C)OCCC(C)(C)C 85319317 572725577 /nfs/dbraw/zinc/72/55/77/572725577.db2.gz CASDBXDUYPTWHU-UWVGGRQHSA-N 1 0 187.327 2.565 10 0 AFAERO Cl/C=C\C[NH2+]CCc1ccccc1 308105078 572725585 /nfs/dbraw/zinc/72/55/85/572725585.db2.gz OTUWNMAEYGKYRX-YWEYNIOJSA-N 1 0 195.693 2.571 10 0 AFAERO CC(C)CCSCC[C@@H](C)[NH3+] 85316607 572725623 /nfs/dbraw/zinc/72/56/23/572725623.db2.gz BBHPYGSRRNTRDU-SECBINFHSA-N 1 0 175.341 2.503 10 0 AFAERO CC[C@@H](C)C[C@@H](F)CC(C)(C)[NH3+] 308104979 572725672 /nfs/dbraw/zinc/72/56/72/572725672.db2.gz HMOPLLBVUNWGQF-RKDXNWHRSA-N 1 0 175.291 2.888 10 0 AFAERO CCCCCSCC[C@@H](C)[NH3+] 85316609 572725724 /nfs/dbraw/zinc/72/57/24/572725724.db2.gz MEWAKUCGFXDIGI-SECBINFHSA-N 1 0 175.341 2.647 10 0 AFAERO CCC[C@@H](C)CSCCC[NH3+] 85315966 572725753 /nfs/dbraw/zinc/72/57/53/572725753.db2.gz SGVOCZPHTGOCTD-SECBINFHSA-N 1 0 175.341 2.505 10 0 AFAERO C[C@@H]([NH3+])CCCOCCC(C)(C)C 85319142 572725773 /nfs/dbraw/zinc/72/57/73/572725773.db2.gz TWMYLVGXKJLMDH-SNVBAGLBSA-N 1 0 187.327 2.567 10 0 AFAERO C[NH2+][C@H]1CCC[C@@H]1OCCC(C)(C)C 85319262 572725783 /nfs/dbraw/zinc/72/57/83/572725783.db2.gz JBGVNYNGBUXXQT-QWRGUYRKSA-N 1 0 199.338 2.580 10 0 AFAERO CCC[C@H]([NH3+])COCCC(C)(C)C 85319145 572725820 /nfs/dbraw/zinc/72/58/20/572725820.db2.gz HPUKYLKXDPRNMF-JTQLQIEISA-N 1 0 187.327 2.567 10 0 AFAERO CCC[C@@H](C)CSCC[C@@H](C)[NH3+] 85317207 572725941 /nfs/dbraw/zinc/72/59/41/572725941.db2.gz SLSJHWUIWLFYDT-NXEZZACHSA-N 1 0 189.368 2.893 10 0 AFAERO CC[C@@H]([NH3+])[C@H](C)OCCC(C)(C)C 85319318 572725946 /nfs/dbraw/zinc/72/59/46/572725946.db2.gz CASDBXDUYPTWHU-VHSXEESVSA-N 1 0 187.327 2.565 10 0 AFAERO CSc1ccc(/C=C\[C@H](C)[NH3+])cc1 308104358 572725961 /nfs/dbraw/zinc/72/59/61/572725961.db2.gz JERQLTJNANQNMO-TYRPZCRBSA-N 1 0 193.315 2.769 10 0 AFAERO C[C@@H](C[C@@H](C)[NH3+])OCCC(C)(C)C 85319206 572726151 /nfs/dbraw/zinc/72/61/51/572726151.db2.gz QRJKAZFITHLUKM-ZJUUUORDSA-N 1 0 187.327 2.565 10 0 AFAERO COc1ccc([C@H]([NH3+])C(C)(C)C)s1 307627441 572726187 /nfs/dbraw/zinc/72/61/87/572726187.db2.gz JAIRSNCVOHHDEB-VIFPVBQESA-N 1 0 199.319 2.803 10 0 AFAERO CC[C@@H](C)CSCC[C@H](C)[NH3+] 85316889 572726200 /nfs/dbraw/zinc/72/62/00/572726200.db2.gz KACZOTPCQRPWIA-BDAKNGLRSA-N 1 0 175.341 2.503 10 0 AFAERO CCC[C@@H](C)CSCC[C@H](C)[NH3+] 85317209 572726249 /nfs/dbraw/zinc/72/62/49/572726249.db2.gz SLSJHWUIWLFYDT-ZJUUUORDSA-N 1 0 189.368 2.893 10 0 AFAERO CCCCCCSC[C@H](C)[NH3+] 85313917 572726307 /nfs/dbraw/zinc/72/63/07/572726307.db2.gz IPCCSMOWRILRNP-VIFPVBQESA-N 1 0 175.341 2.647 10 0 AFAERO CC[C@@H]([NH3+])[C@@H](C)OCCC(C)(C)C 85319316 572726341 /nfs/dbraw/zinc/72/63/41/572726341.db2.gz CASDBXDUYPTWHU-NXEZZACHSA-N 1 0 187.327 2.565 10 0 AFAERO CC[C@H](C)CSCC[C@H](C)[NH3+] 85316890 572726353 /nfs/dbraw/zinc/72/63/53/572726353.db2.gz KACZOTPCQRPWIA-IUCAKERBSA-N 1 0 175.341 2.503 10 0 AFAERO C=C/C=C/CC[C@H]([NH3+])CC[C@H](C)OC 713737762 572726356 /nfs/dbraw/zinc/72/63/56/572726356.db2.gz KPRSVWPRHOIHSG-WTIVYXKASA-N 1 0 197.322 2.651 10 0 AFAERO CC(C)CC[C@@](C)(F)CCC[NH3+] 308104961 572726359 /nfs/dbraw/zinc/72/63/59/572726359.db2.gz HMFIOIXFMLZJPO-JTQLQIEISA-N 1 0 175.291 2.890 10 0 AFAERO CC(C)(C)CCSCCC[NH3+] 85315746 572726371 /nfs/dbraw/zinc/72/63/71/572726371.db2.gz AEGGUMDRJLZQDY-UHFFFAOYSA-N 1 0 175.341 2.505 10 0 AFAERO C/C(=C/C[NH2+]C1CC1)c1ccc(C)o1 714539511 572726384 /nfs/dbraw/zinc/72/63/84/572726384.db2.gz AEJWMWYCCZVJMK-CLFYSBASSA-N 1 0 191.274 2.743 10 0 AFAERO C[NH2+][C@@H]1CCC[C@H]1OCCC(C)(C)C 85319263 572726399 /nfs/dbraw/zinc/72/63/99/572726399.db2.gz JBGVNYNGBUXXQT-GHMZBOCLSA-N 1 0 199.338 2.580 10 0 AFAERO C=C/C=C/CC[NH2+][C@]1(C)C[C@@H]1C 713737855 572726409 /nfs/dbraw/zinc/72/64/09/572726409.db2.gz AMTZBDZETIBXLI-PFDYWKIBSA-N 1 0 165.280 2.507 10 0 AFAERO C[C@@H]([NH3+])C[C@@H](C)OCCC(C)(C)C 85319204 572726438 /nfs/dbraw/zinc/72/64/38/572726438.db2.gz QRJKAZFITHLUKM-NXEZZACHSA-N 1 0 187.327 2.565 10 0 AFAERO CC(C)(C)CCO[C@H]1CCCC[C@H]1[NH3+] 85319326 572726512 /nfs/dbraw/zinc/72/65/12/572726512.db2.gz PSCQXWDFOFTNGX-MNOVXSKESA-N 1 0 199.338 2.709 10 0 AFAERO Cc1ccc([C@H](C)[C@H]2CC[NH2+]C2)cc1 70676902 572726540 /nfs/dbraw/zinc/72/65/40/572726540.db2.gz HBWGJUHHKWZSPN-AAEUAGOBSA-N 1 0 189.302 2.708 10 0 AFAERO CC[C@H](C)C[C@H](F)CC(C)(C)[NH3+] 308104977 572726560 /nfs/dbraw/zinc/72/65/60/572726560.db2.gz HMOPLLBVUNWGQF-IUCAKERBSA-N 1 0 175.291 2.888 10 0 AFAERO CCCC1([C@@H]([NH3+])C(C)(C)C)CC1 308104392 572726748 /nfs/dbraw/zinc/72/67/48/572726748.db2.gz HDRWHEWMQOTWJX-VIFPVBQESA-N 1 0 169.312 2.940 10 0 AFAERO Cc1oc(C(C)(C)C)c(C[NH3+])c1C 77089060 572726761 /nfs/dbraw/zinc/72/67/61/572726761.db2.gz FNNDNKFCEPRXKL-UHFFFAOYSA-N 1 0 181.279 2.653 10 0 AFAERO CCc1oc2c(c1[C@@H](C)[NH3+])CCCC2 77090351 572726786 /nfs/dbraw/zinc/72/67/86/572726786.db2.gz UWKZOLUTVGQEBT-MRVPVSSYSA-N 1 0 193.290 2.741 10 0 AFAERO CCCC1([C@H]([NH3+])C(C)(C)C)CC1 308104390 572726832 /nfs/dbraw/zinc/72/68/32/572726832.db2.gz HDRWHEWMQOTWJX-SECBINFHSA-N 1 0 169.312 2.940 10 0 AFAERO Cc1ccc([C@@H](C)[C@H]2CC[NH2+]C2)cc1 70676900 572726848 /nfs/dbraw/zinc/72/68/48/572726848.db2.gz HBWGJUHHKWZSPN-YPMHNXCESA-N 1 0 189.302 2.708 10 0 AFAERO CCC[C@@H](C)[C@@H]([NH3+])C1(CC)CC1 308104414 572726871 /nfs/dbraw/zinc/72/68/71/572726871.db2.gz HERVLLYNPKRIDN-NXEZZACHSA-N 1 0 169.312 2.940 10 0 AFAERO CCC(CC)[C@@H](F)CC(C)(C)[NH3+] 308104941 572726927 /nfs/dbraw/zinc/72/69/27/572726927.db2.gz HLMSXLVSBQKFIZ-VIFPVBQESA-N 1 0 175.291 2.888 10 0 AFAERO CC(C)c1oc2c(c1[C@@H](C)[NH3+])CCC2 77089787 572726987 /nfs/dbraw/zinc/72/69/87/572726987.db2.gz UFFIZXROSUFGIF-MRVPVSSYSA-N 1 0 193.290 2.911 10 0 AFAERO CC(C)CC[C@](C)(F)CCC[NH3+] 308104963 572727032 /nfs/dbraw/zinc/72/70/32/572727032.db2.gz HMFIOIXFMLZJPO-SNVBAGLBSA-N 1 0 175.291 2.890 10 0 AFAERO CCCCC[C@](C)(F)[C@@H](C)[NH3+] 307886591 572727067 /nfs/dbraw/zinc/72/70/67/572727067.db2.gz VVVLDXBBIRNBAP-BDAKNGLRSA-N 1 0 161.264 2.642 10 0 AFAERO C[C@H](C[NH3+])CSCCC(C)(C)C 85319992 572727082 /nfs/dbraw/zinc/72/70/82/572727082.db2.gz IWYHOFWDZYCLOH-SECBINFHSA-N 1 0 189.368 2.751 10 0 AFAERO COc1ccc([C@@H]([NH3+])C(C)(C)C)s1 307627440 572727122 /nfs/dbraw/zinc/72/71/22/572727122.db2.gz JAIRSNCVOHHDEB-SECBINFHSA-N 1 0 199.319 2.803 10 0 AFAERO C[NH2+]Cc1c(C(C)C)oc2c1CCC2 77089705 572727197 /nfs/dbraw/zinc/72/71/97/572727197.db2.gz UMJSMZWGXKJNFW-UHFFFAOYSA-N 1 0 193.290 2.611 10 0 AFAERO CCC(CC)[C@H](F)CC(C)(C)[NH3+] 308104940 572727221 /nfs/dbraw/zinc/72/72/21/572727221.db2.gz HLMSXLVSBQKFIZ-SECBINFHSA-N 1 0 175.291 2.888 10 0 AFAERO CC[NH2+]Cc1c(C)oc2c1CCCC2 77090169 572727262 /nfs/dbraw/zinc/72/72/62/572727262.db2.gz ROPSOWZRWITZOD-UHFFFAOYSA-N 1 0 193.290 2.576 10 0 AFAERO CCCc1oc2c(c1C[NH3+])CCCC2 77090446 572727305 /nfs/dbraw/zinc/72/73/05/572727305.db2.gz GHWAPXJLTKCUKJ-UHFFFAOYSA-N 1 0 193.290 2.570 10 0 AFAERO C[C@@H]([NH3+])c1c(C2CC2)oc2c1CCC2 77089971 572727369 /nfs/dbraw/zinc/72/73/69/572727369.db2.gz XHVWZNKMXHNPIN-SSDOTTSWSA-N 1 0 191.274 2.665 10 0 AFAERO CCCCCCSC[C@@H](C)C[NH3+] 85320249 572727473 /nfs/dbraw/zinc/72/74/73/572727473.db2.gz SVDHIDOZCVAAMR-JTQLQIEISA-N 1 0 189.368 2.895 10 0 AFAERO CCCCCCSC[C@H](C)C[NH3+] 85320250 572727535 /nfs/dbraw/zinc/72/75/35/572727535.db2.gz SVDHIDOZCVAAMR-SNVBAGLBSA-N 1 0 189.368 2.895 10 0 AFAERO C[C@@H](C[NH3+])CSCCC(C)(C)C 85319991 572727567 /nfs/dbraw/zinc/72/75/67/572727567.db2.gz IWYHOFWDZYCLOH-VIFPVBQESA-N 1 0 189.368 2.751 10 0 AFAERO C=C/C=C\CC[C@H]([NH3+])CC[C@H](C)OC 713737763 572727599 /nfs/dbraw/zinc/72/75/99/572727599.db2.gz KPRSVWPRHOIHSG-YGABWQLJSA-N 1 0 197.322 2.651 10 0 AFAERO CC(C)c1oc2c(c1C[NH3+])CCCC2 77090379 572727609 /nfs/dbraw/zinc/72/76/09/572727609.db2.gz CYLYGQSPHKTXRI-UHFFFAOYSA-N 1 0 193.290 2.741 10 0 AFAERO CC(C)(C)c1oc2c(c1C[NH3+])CCC2 77089998 572727645 /nfs/dbraw/zinc/72/76/45/572727645.db2.gz AJGUFCAKNWYQCM-UHFFFAOYSA-N 1 0 193.290 2.525 10 0 AFAERO CCCCC[C@@](C)(F)[C@H](C)[NH3+] 307886592 572727803 /nfs/dbraw/zinc/72/78/03/572727803.db2.gz VVVLDXBBIRNBAP-DTWKUNHWSA-N 1 0 161.264 2.642 10 0 AFAERO CCCCCSC[C@@H](C)C[NH3+] 85319816 572727842 /nfs/dbraw/zinc/72/78/42/572727842.db2.gz BSTNWCWGFSVOEL-VIFPVBQESA-N 1 0 175.341 2.505 10 0 AFAERO Cc1oc2c(c1C[NH2+]C(C)C)CCC2 77089497 572727869 /nfs/dbraw/zinc/72/78/69/572727869.db2.gz LGPAXRDQLNUHDM-UHFFFAOYSA-N 1 0 193.290 2.575 10 0 AFAERO CCc1oc2c(c1[C@H](C)[NH3+])CCCC2 77090352 572727915 /nfs/dbraw/zinc/72/79/15/572727915.db2.gz UWKZOLUTVGQEBT-QMMMGPOBSA-N 1 0 193.290 2.741 10 0 AFAERO CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1[NH2+]C1CC1 70710606 572727922 /nfs/dbraw/zinc/72/79/22/572727922.db2.gz YJKIVXPNPAIDAF-UFGOTCBOSA-N 1 0 193.334 2.953 10 0 AFAERO CCCCCSC[C@H](C)C[NH3+] 85319817 572727929 /nfs/dbraw/zinc/72/79/29/572727929.db2.gz BSTNWCWGFSVOEL-SECBINFHSA-N 1 0 175.341 2.505 10 0 AFAERO 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572771225 /nfs/dbraw/zinc/77/12/25/572771225.db2.gz MZVKAQVPRAHWPZ-MWLCHTKSSA-N 1 0 195.331 2.851 10 0 AFAERO CC(C)C[C@H](C)[C@@H](F)[C@H](C)C[NH3+] 308125386 572771226 /nfs/dbraw/zinc/77/12/26/572771226.db2.gz VFEQDNZNMJNXBS-IVZWLZJFSA-N 1 0 175.291 2.602 10 0 AFAERO C1CCC([C@H]2CC[C@H]2C[NH2+]C2CC2)C1 87956337 572771087 /nfs/dbraw/zinc/77/10/87/572771087.db2.gz DJWQBPVDVMIPQU-WCQYABFASA-N 1 0 193.334 2.955 10 0 AFAERO CC(C)(C)[NH2+]C[C@H]1CC[C@H]1C1CC1 87956505 572771712 /nfs/dbraw/zinc/77/17/12/572771712.db2.gz WSRWBDSWCIYFRR-MNOVXSKESA-N 1 0 181.323 2.811 10 0 AFAERO CC[C@@H](C)[C@H]1CC[C@@H]1C[NH2+]C1CC1 87956412 572771248 /nfs/dbraw/zinc/77/12/48/572771248.db2.gz ZSRNVPDTXXPILQ-CKYFFXLPSA-N 1 0 181.323 2.811 10 0 AFAERO c1cc([C@@H]2CC[C@@H]2C[NH2+]C2CC2)co1 87956318 572771256 /nfs/dbraw/zinc/77/12/56/572771256.db2.gz IVBTZOPUAZYUBJ-BXKDBHETSA-N 1 0 191.274 2.525 10 0 AFAERO C[NH2+]CCC(C)(C)Cc1ccsc1 87957100 572771290 /nfs/dbraw/zinc/77/12/90/572771290.db2.gz HMYZDAOFOOHCSQ-UHFFFAOYSA-N 1 0 197.347 2.926 10 0 AFAERO COC(C)(C)[C@H]([NH3+])C1=CCCCCC1 234572116 572771319 /nfs/dbraw/zinc/77/13/19/572771319.db2.gz HEQLCWMWOANDKS-LLVKDONJSA-N 1 0 197.322 2.629 10 0 AFAERO C[NH2+]CCC(C)(C)c1ccccc1F 87957029 572771327 /nfs/dbraw/zinc/77/13/27/572771327.db2.gz GZTIXZBYXJAZNK-UHFFFAOYSA-N 1 0 195.281 2.713 10 0 AFAERO CCC[C@@]1(CC(C)C)CCC[NH2+]1 85699868 572771337 /nfs/dbraw/zinc/77/13/37/572771337.db2.gz ZQRSQFFRUXWTMW-NSHDSACASA-N 1 0 169.312 2.955 10 0 AFAERO CC(C)CC[C@@]1(C2CC2)CCC[NH2+]1 85700648 572771342 /nfs/dbraw/zinc/77/13/42/572771342.db2.gz CVFHCQFVMXDFKQ-GFCCVEGCSA-N 1 0 181.323 2.955 10 0 AFAERO CC(C)[NH2+]C[C@@H]1CC[C@@H]1c1ccoc1 87955958 572771355 /nfs/dbraw/zinc/77/13/55/572771355.db2.gz BUFVALFUQVNNSY-JQWIXIFHSA-N 1 0 193.290 2.771 10 0 AFAERO C[NH2+]CCC(C)(C)c1csc(C)c1 87956943 572771370 /nfs/dbraw/zinc/77/13/70/572771370.db2.gz VJSMUKMSOPFRQJ-UHFFFAOYSA-N 1 0 197.347 2.944 10 0 AFAERO CC[C@@H]1CC[C@@H]1C[NH2+]C(C)(C)C 87956586 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2.668 10 0 AFAERO CC[C@@H]1CC[C@H]1C[NH2+]C(C)(C)C 87956588 572771549 /nfs/dbraw/zinc/77/15/49/572771549.db2.gz PPFNMPXLLKFRDW-ZJUUUORDSA-N 1 0 169.312 2.811 10 0 AFAERO CCCC[C@H]1CC[C@H]1C[NH2+]C1CC1 87956273 572771568 /nfs/dbraw/zinc/77/15/68/572771568.db2.gz ITIYQTDIYSATGZ-QWRGUYRKSA-N 1 0 181.323 2.955 10 0 AFAERO CC(C)[NH2+]C[C@H]1CC[C@H]1c1ccoc1 87955961 572771622 /nfs/dbraw/zinc/77/16/22/572771622.db2.gz BUFVALFUQVNNSY-ZYHUDNBSSA-N 1 0 193.290 2.771 10 0 AFAERO c1cc([C@@H]2CC[C@H]2C[NH2+]C2CC2)co1 87956320 572771721 /nfs/dbraw/zinc/77/17/21/572771721.db2.gz IVBTZOPUAZYUBJ-JOYOIKCWSA-N 1 0 191.274 2.525 10 0 AFAERO CCCC[C@]1(C2CC2)CCC[NH2+]1 85700620 572771731 /nfs/dbraw/zinc/77/17/31/572771731.db2.gz ZHLYLINPOKDHCK-LLVKDONJSA-N 1 0 167.296 2.709 10 0 AFAERO CC[C@H](C)C(C)(C)CC[NH2+]C 87957074 572771732 /nfs/dbraw/zinc/77/17/32/572771732.db2.gz CSGKTLVQAQVXJB-VIFPVBQESA-N 1 0 157.301 2.668 10 0 AFAERO C[NH2+]CCC(C)(C)CC[C@H]1CCCO1 87957059 572771738 /nfs/dbraw/zinc/77/17/38/572771738.db2.gz SRTNPAKRDITPMV-LLVKDONJSA-N 1 0 199.338 2.581 10 0 AFAERO C1CCC([C@@H]2CC[C@H]2C[NH2+]C2CC2)C1 87956336 572771751 /nfs/dbraw/zinc/77/17/51/572771751.db2.gz DJWQBPVDVMIPQU-AAEUAGOBSA-N 1 0 193.334 2.955 10 0 AFAERO CCC[NH2+]C[C@H]1CC[C@@H]1c1ccoc1 87955599 572771757 /nfs/dbraw/zinc/77/17/57/572771757.db2.gz BQYBQRPWYLLWTD-PWSUYJOCSA-N 1 0 193.290 2.773 10 0 AFAERO CC[C@@H](C)C[C@]1(C2CC2)CCC[NH2+]1 85700625 572771787 /nfs/dbraw/zinc/77/17/87/572771787.db2.gz WQUQUMKJVPINOR-PWSUYJOCSA-N 1 0 181.323 2.955 10 0 AFAERO CC[C@H](C)OCC(CC)(CC)C[NH3+] 308125149 572771788 /nfs/dbraw/zinc/77/17/88/572771788.db2.gz AJONZVJOLSOHMG-JTQLQIEISA-N 1 0 187.327 2.567 10 0 AFAERO CCC[C@@H]1CC[C@H]1C[NH2+]C(C)C 87955948 572771790 /nfs/dbraw/zinc/77/17/90/572771790.db2.gz SCRYNWDKQGBJAD-MNOVXSKESA-N 1 0 169.312 2.811 10 0 AFAERO CC(C)(C)[NH2+]C[C@@H]1CC[C@@H]1C1CC1 87956502 572771804 /nfs/dbraw/zinc/77/18/04/572771804.db2.gz WSRWBDSWCIYFRR-WDEREUQCSA-N 1 0 181.323 2.811 10 0 AFAERO C1CCC([C@@H]2CC[C@@H]2C[NH2+]C2CC2)C1 87956334 572771813 /nfs/dbraw/zinc/77/18/13/572771813.db2.gz DJWQBPVDVMIPQU-YPMHNXCESA-N 1 0 193.334 2.955 10 0 AFAERO CCC[C@H]1CC[C@@H]1C[NH2+]C1CC1 87956307 572771849 /nfs/dbraw/zinc/77/18/49/572771849.db2.gz XEPKZKFGQPPQCH-VHSXEESVSA-N 1 0 167.296 2.565 10 0 AFAERO CC[C@H]1CC[C@@H]1C[NH2+]CC(C)C 87956811 572771878 /nfs/dbraw/zinc/77/18/78/572771878.db2.gz AESWUAMVXCNLDT-WDEREUQCSA-N 1 0 169.312 2.668 10 0 AFAERO CC(C)C[C@@H]1CC[C@H]1C[NH2+]C1CC1 87956128 572771912 /nfs/dbraw/zinc/77/19/12/572771912.db2.gz KCNMZIQSWIAFQY-QWRGUYRKSA-N 1 0 181.323 2.811 10 0 AFAERO CC[C@@H](C[NH3+])[C@H](C)CC(C)C 307920696 572772116 /nfs/dbraw/zinc/77/21/16/572772116.db2.gz KQPVYTGUUDEMAL-ZJUUUORDSA-N 1 0 157.301 2.654 10 0 AFAERO CCC[C@H](C)[NH2+]Cc1ccn(CC)c1 85604943 572771931 /nfs/dbraw/zinc/77/19/31/572771931.db2.gz FCUHGPQLSBIBJM-NSHDSACASA-N 1 0 194.322 2.786 10 0 AFAERO CCn1ccc(C[NH2+]C(C)(C)CC)c1 85604880 572771944 /nfs/dbraw/zinc/77/19/44/572771944.db2.gz KLYCBXFQGIACEG-UHFFFAOYSA-N 1 0 194.322 2.786 10 0 AFAERO CC[C@@H](C)C(C)(C)CC[NH2+]C 87957073 572771972 /nfs/dbraw/zinc/77/19/72/572771972.db2.gz CSGKTLVQAQVXJB-SECBINFHSA-N 1 0 157.301 2.668 10 0 AFAERO C[NH2+]CCC(C)(C)CC(C)C 87956928 572772033 /nfs/dbraw/zinc/77/20/33/572772033.db2.gz CDIMXMHCALCNTD-UHFFFAOYSA-N 1 0 157.301 2.668 10 0 AFAERO CC(C)C[C@H]1CC[C@@H]1C[NH2+]C1CC1 87956127 572772053 /nfs/dbraw/zinc/77/20/53/572772053.db2.gz KCNMZIQSWIAFQY-GHMZBOCLSA-N 1 0 181.323 2.811 10 0 AFAERO CC(C)[NH2+]C[C@H]1CC[C@H]1C(C)C 87955818 572772066 /nfs/dbraw/zinc/77/20/66/572772066.db2.gz PKDUJMMCZVDMEU-MNOVXSKESA-N 1 0 169.312 2.667 10 0 AFAERO CCC[NH2+]C[C@@H]1CC[C@H]1c1ccoc1 87955600 572772083 /nfs/dbraw/zinc/77/20/83/572772083.db2.gz BQYBQRPWYLLWTD-CMPLNLGQSA-N 1 0 193.290 2.773 10 0 AFAERO CC(C)[NH2+]C[C@@H]1CC[C@H]1c1ccoc1 87955960 572772088 /nfs/dbraw/zinc/77/20/88/572772088.db2.gz BUFVALFUQVNNSY-CMPLNLGQSA-N 1 0 193.290 2.771 10 0 AFAERO CCC[C@@]1(CC2CC2)CCC[NH2+]1 85700579 572772865 /nfs/dbraw/zinc/77/28/65/572772865.db2.gz SOWAHDKJYGKFFQ-NSHDSACASA-N 1 0 167.296 2.709 10 0 AFAERO CCC[C@@H]1CC[C@@H]1C[NH2+]C(C)C 87955946 572772164 /nfs/dbraw/zinc/77/21/64/572772164.db2.gz SCRYNWDKQGBJAD-GHMZBOCLSA-N 1 0 169.312 2.811 10 0 AFAERO CC[C@@H](C)C[C@]1(CC)CCC[NH2+]1 85698736 572772196 /nfs/dbraw/zinc/77/21/96/572772196.db2.gz RYVKHTKLAGSTNT-MNOVXSKESA-N 1 0 169.312 2.955 10 0 AFAERO CCC[NH2+]C[C@@H]1CC[C@H]1c1ccco1 87955524 572772225 /nfs/dbraw/zinc/77/22/25/572772225.db2.gz ZSGXIYSBSGNJIK-WDEREUQCSA-N 1 0 193.290 2.773 10 0 AFAERO CC(C)[C@@H](C)[NH2+][C@@H](C)CC(F)F 307931011 572772238 /nfs/dbraw/zinc/77/22/38/572772238.db2.gz CCTGMPPCEBOHSZ-JGVFFNPUSA-N 1 0 179.254 2.664 10 0 AFAERO CCC[NH2+]C[C@H]1CC[C@@H]1c1ccco1 87955523 572772242 /nfs/dbraw/zinc/77/22/42/572772242.db2.gz ZSGXIYSBSGNJIK-MNOVXSKESA-N 1 0 193.290 2.773 10 0 AFAERO CC[C@@]1(CCC2CC2)CCC[NH2+]1 85699290 572772267 /nfs/dbraw/zinc/77/22/67/572772267.db2.gz ADZDUSRHYYRTKJ-NSHDSACASA-N 1 0 167.296 2.709 10 0 AFAERO CC(C)C[NH2+]C[C@H]1CC[C@@H]1C1CC1 87956727 572772286 /nfs/dbraw/zinc/77/22/86/572772286.db2.gz CWIPMAKWAQRNGT-VXGBXAGGSA-N 1 0 181.323 2.668 10 0 AFAERO CC(C)[C@H](C)[NH2+][C@H](C)CC(F)F 307931012 572772313 /nfs/dbraw/zinc/77/23/13/572772313.db2.gz CCTGMPPCEBOHSZ-SFYZADRCSA-N 1 0 179.254 2.664 10 0 AFAERO CC(C)[NH2+]C[C@@H]1CC[C@@H]1C(C)C 87955821 572772323 /nfs/dbraw/zinc/77/23/23/572772323.db2.gz PKDUJMMCZVDMEU-WDEREUQCSA-N 1 0 169.312 2.667 10 0 AFAERO CC(C)(C)[NH2+]C[C@@H]1CC[C@H]1C1CC1 87956504 572772342 /nfs/dbraw/zinc/77/23/42/572772342.db2.gz WSRWBDSWCIYFRR-QWRGUYRKSA-N 1 0 181.323 2.811 10 0 AFAERO CCC[C@H]1CC[C@@H]1C[NH2+]C(C)C 87955947 572772348 /nfs/dbraw/zinc/77/23/48/572772348.db2.gz SCRYNWDKQGBJAD-WDEREUQCSA-N 1 0 169.312 2.811 10 0 AFAERO CC[C@H]1CC[C@H]1C[NH2+]CC(C)C 87956813 572772388 /nfs/dbraw/zinc/77/23/88/572772388.db2.gz AESWUAMVXCNLDT-QWRGUYRKSA-N 1 0 169.312 2.668 10 0 AFAERO 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/nfs/dbraw/zinc/81/80/26/572818026.db2.gz IBYVRINCHXGBCH-KCJUWKMLSA-N 1 0 197.347 2.972 10 0 AFAERO CCC(CC)OC[C@@H]([NH3+])CC(C)C 308135903 572818106 /nfs/dbraw/zinc/81/81/06/572818106.db2.gz IDSNRAQZXSXKDB-JTQLQIEISA-N 1 0 187.327 2.565 10 0 AFAERO [NH2+]=C1CCC[C@H]1Nc1ccccc1 238558586 572818616 /nfs/dbraw/zinc/81/86/16/572818616.db2.gz ISRKDMKNXDMHIX-LLVKDONJSA-N 1 0 174.247 2.671 10 0 AFAERO CC[NH+](CC)C[C@@H](C)C(F)(F)F 307946962 572818626 /nfs/dbraw/zinc/81/86/26/572818626.db2.gz KJBKTYYDVPAUBV-SSDOTTSWSA-N 1 0 183.217 2.527 10 0 AFAERO CC[NH+](CC)C[C@H](C)C(F)(F)F 307946964 572818685 /nfs/dbraw/zinc/81/86/85/572818685.db2.gz KJBKTYYDVPAUBV-ZETCQYMHSA-N 1 0 183.217 2.527 10 0 AFAERO CCC(CC)OC[C@H]([NH3+])CC(C)C 308135905 572819336 /nfs/dbraw/zinc/81/93/36/572819336.db2.gz IDSNRAQZXSXKDB-SNVBAGLBSA-N 1 0 187.327 2.565 10 0 AFAERO CC(C)=CC[NH2+]CCC1(C)CC1 308135352 572819366 /nfs/dbraw/zinc/81/93/66/572819366.db2.gz ZNGBMMXSFSSCPQ-UHFFFAOYSA-N 1 0 167.296 2.732 10 0 AFAERO 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MOBCGLHMFOUYHX-UHFFFAOYSA-N 1 0 167.296 2.565 10 0 AFAERO CC[C@@H]([NH3+])c1cc(C)cc(C)c1OC 71463594 572822372 /nfs/dbraw/zinc/82/23/72/572822372.db2.gz NUBLGCPQQKFLMR-LLVKDONJSA-N 1 0 193.290 2.722 10 0 AFAERO CCOc1c(C)ccc(C)c1[C@H](C)[NH3+] 71457336 572822392 /nfs/dbraw/zinc/82/23/92/572822392.db2.gz QFIUTWHOQCFYFX-JTQLQIEISA-N 1 0 193.290 2.722 10 0 AFAERO Cc1cc([C@@H]([NH3+])CC2CC2)c(C)o1 49849473 572822546 /nfs/dbraw/zinc/82/25/46/572822546.db2.gz YSCRWQHUDRVZDU-NSHDSACASA-N 1 0 179.263 2.696 10 0 AFAERO CCOc1cc(C)c([C@@H](C)[NH3+])c(C)c1 71456869 572822670 /nfs/dbraw/zinc/82/26/70/572822670.db2.gz VTENQMCMSDCBJL-SNVBAGLBSA-N 1 0 193.290 2.722 10 0 AFAERO Cc1c(C[NH3+])ccc(OC(C)C)c1C 71456675 572822729 /nfs/dbraw/zinc/82/27/29/572822729.db2.gz CPVUMHUZTFAZBR-UHFFFAOYSA-N 1 0 193.290 2.549 10 0 AFAERO CC(C)Oc1ccc(C[NH3+])c(Cl)c1 71463886 572822744 /nfs/dbraw/zinc/82/27/44/572822744.db2.gz DHUIRMSILVRYHE-UHFFFAOYSA-N 1 0 199.681 2.586 10 0 AFAERO CCOc1cc(C)c([C@H](C)[NH3+])c(C)c1 71456870 572822846 /nfs/dbraw/zinc/82/28/46/572822846.db2.gz VTENQMCMSDCBJL-JTQLQIEISA-N 1 0 193.290 2.722 10 0 AFAERO CCC[NH2+][C@H](c1cc[nH]c1)C(C)C 85844349 572827092 /nfs/dbraw/zinc/82/70/92/572827092.db2.gz PKFHLNWRRMPMDC-NSHDSACASA-N 1 0 180.295 2.711 10 0 AFAERO C[C@@H](CC1CCC1)[NH2+]C(C)(C)CF 308140534 572822884 /nfs/dbraw/zinc/82/28/84/572822884.db2.gz IEBAXUUISPIOEW-VIFPVBQESA-N 1 0 187.302 2.903 10 0 AFAERO CCC(C)(C)C[NH2+]C[C@H](C)SC 307948854 572822943 /nfs/dbraw/zinc/82/29/43/572822943.db2.gz MJEJECRFHXTKCD-VIFPVBQESA-N 1 0 189.368 2.764 10 0 AFAERO C[C@@H]1C[NH2+]C[C@@H](CCC(F)(F)F)C1 235263376 572823052 /nfs/dbraw/zinc/82/30/52/572823052.db2.gz PZRATQDTZQVESY-YUMQZZPRSA-N 1 0 195.228 2.575 10 0 AFAERO C/C=C\C[NH2+][C@H](C)C[C@@H](C)CC 307948311 572823129 /nfs/dbraw/zinc/82/31/29/572823129.db2.gz OVDPCPLRUWRHRE-OJTYSEKASA-N 1 0 169.312 2.977 10 0 AFAERO CCOc1c(C)ccc(C)c1[C@@H](C)[NH3+] 71457335 572823176 /nfs/dbraw/zinc/82/31/76/572823176.db2.gz 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307971093 572878212 /nfs/dbraw/zinc/87/82/12/572878212.db2.gz HBACYNVEIJSNQE-DTWKUNHWSA-N 1 0 173.275 2.513 10 0 AFAERO C[NH2+][C@H](C1=CCCCC1)C(C)C 50326213 572878302 /nfs/dbraw/zinc/87/83/02/572878302.db2.gz WLPPJCQOQSFCBG-NSHDSACASA-N 1 0 167.296 2.731 10 0 AFAERO CC[C@H]1CC[C@@H]1[NH2+]C(C)(C)CF 307971094 572878340 /nfs/dbraw/zinc/87/83/40/572878340.db2.gz HBACYNVEIJSNQE-IUCAKERBSA-N 1 0 173.275 2.513 10 0 AFAERO CC(C)SCCC1=C[C@H]([NH3+])CC1 307970932 572878424 /nfs/dbraw/zinc/87/84/24/572878424.db2.gz XLVXBVMMKVSKNU-SNVBAGLBSA-N 1 0 185.336 2.566 10 0 AFAERO Cc1scnc1C[NH2+][C@@H](C)C(C)C 308158014 572878864 /nfs/dbraw/zinc/87/88/64/572878864.db2.gz SQTCCMPEHDXFFD-QMMMGPOBSA-N 1 0 198.335 2.586 10 0 AFAERO CCC[NH2+]C/C(C)=C\[C@H]1CCSC1 308161925 572878513 /nfs/dbraw/zinc/87/85/13/572878513.db2.gz NADYLCAWSFRCFW-ZJRUKIMVSA-N 1 0 199.363 2.685 10 0 AFAERO CC(C)CSCc1cc(N)cc[nH+]1 86135048 572878579 /nfs/dbraw/zinc/87/85/79/572878579.db2.gz VMTXKFFLMNEPRP-UHFFFAOYSA-N 1 0 196.319 2.553 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572886741 /nfs/dbraw/zinc/88/67/41/572886741.db2.gz XPUYLWSVUKZUCC-NWDGAFQWSA-N 1 0 181.323 2.811 10 0 AFAERO CCC(CC)[C@@H]([NH2+]C)C(C)C 86168465 572886751 /nfs/dbraw/zinc/88/67/51/572886751.db2.gz JNTGYMJYYQMQBO-JTQLQIEISA-N 1 0 157.301 2.667 10 0 AFAERO CCC[C@H](C)[C@H]([NH2+]C)C(C)C 86168487 572886886 /nfs/dbraw/zinc/88/68/86/572886886.db2.gz JGGVEIDKQAAQDO-VHSXEESVSA-N 1 0 157.301 2.667 10 0 AFAERO CC[NH2+][C@@H](C(C)C)[C@@H](C)C(C)C 86169098 572886926 /nfs/dbraw/zinc/88/69/26/572886926.db2.gz IQHVYBCQOOGRTK-QWRGUYRKSA-N 1 0 171.328 2.913 10 0 AFAERO CCC[C@@H](C)[C@@H]([NH2+]C)C(C)C 86168491 572886985 /nfs/dbraw/zinc/88/69/85/572886985.db2.gz JGGVEIDKQAAQDO-ZJUUUORDSA-N 1 0 157.301 2.667 10 0 AFAERO C[C@@H]1CC[C@@H]([N@H+](C)CCCCF)C1 308167675 572887062 /nfs/dbraw/zinc/88/70/62/572887062.db2.gz BJUQPWPPTRDKHY-GHMZBOCLSA-N 1 0 187.302 2.857 10 0 AFAERO CC[C@@](C)(C[NH3+])CCC(F)(F)F 307970184 572887131 /nfs/dbraw/zinc/88/71/31/572887131.db2.gz WPMNNGJZCGXBBZ-SSDOTTSWSA-N 1 0 183.217 2.704 10 0 AFAERO CC(C)[C@H]1CC[C@@H]1[NH2+]C(C)(C)CF 308167973 572887203 /nfs/dbraw/zinc/88/72/03/572887203.db2.gz YJVZDXCANJGAGO-ZJUUUORDSA-N 1 0 187.302 2.759 10 0 AFAERO CC(C)[C@@H]1CC[C@H]1[NH2+]C(C)(C)CF 308167972 572887239 /nfs/dbraw/zinc/88/72/39/572887239.db2.gz YJVZDXCANJGAGO-VHSXEESVSA-N 1 0 187.302 2.759 10 0 AFAERO C[N@H+](CC1CCC1)C[Si](C)(C)C 308166505 572887553 /nfs/dbraw/zinc/88/75/53/572887553.db2.gz VBIHYRGWQMMQMT-UHFFFAOYSA-N 1 0 185.387 2.596 10 0 AFAERO CCC[C@H]1C[C@@]1([NH3+])CC(C)(C)C 86204509 572887605 /nfs/dbraw/zinc/88/76/05/572887605.db2.gz ZZJLZVKHWCQVRR-GXSJLCMTSA-N 1 0 169.312 2.940 10 0 AFAERO CCC[C@@H]1C[C@@]1([NH3+])Cc1ccccc1 86204313 572887661 /nfs/dbraw/zinc/88/76/61/572887661.db2.gz MUFFNEJMEMIEGZ-OLZOCXBDSA-N 1 0 189.302 2.747 10 0 AFAERO CC[C@H]1C[C@@]1([NH3+])CCc1ccccc1 86201525 572887738 /nfs/dbraw/zinc/88/77/38/572887738.db2.gz DHJIUVLPIGXCEV-STQMWFEESA-N 1 0 189.302 2.747 10 0 AFAERO CC(C)[C@@H]1CC[C@@H]1[NH2+]C(C)(C)CF 308167971 572887759 /nfs/dbraw/zinc/88/77/59/572887759.db2.gz YJVZDXCANJGAGO-UWVGGRQHSA-N 1 0 187.302 2.759 10 0 AFAERO CCC[C@H]1C[C@@]1([NH3+])Cc1ccccc1 86204315 572887887 /nfs/dbraw/zinc/88/78/87/572887887.db2.gz MUFFNEJMEMIEGZ-STQMWFEESA-N 1 0 189.302 2.747 10 0 AFAERO CCC[C@H]1C[C@]1([NH3+])Cc1ccccc1 86204311 572887938 /nfs/dbraw/zinc/88/79/38/572887938.db2.gz MUFFNEJMEMIEGZ-QWHCGFSZSA-N 1 0 189.302 2.747 10 0 AFAERO C[C@@H](CC(F)F)[NH2+][C@@H](C)CC1CC1 308170200 572888208 /nfs/dbraw/zinc/88/82/08/572888208.db2.gz ZGUQWKJEHYOXJD-YUMQZZPRSA-N 1 0 191.265 2.808 10 0 AFAERO CCC[C@@H]1C[C@@]1([NH3+])CCC(C)C 86206061 572888414 /nfs/dbraw/zinc/88/84/14/572888414.db2.gz VHQYTRCRFUWMCQ-MNOVXSKESA-N 1 0 169.312 2.940 10 0 AFAERO CCC[C@@H]1CCCC[N@@H+]1CCF 307969499 572888567 /nfs/dbraw/zinc/88/85/67/572888567.db2.gz FYCBXLNKMSJMIZ-SNVBAGLBSA-N 1 0 173.275 2.611 10 0 AFAERO FCCCCC[NH2+]CCC1CCC1 308169317 572888570 /nfs/dbraw/zinc/88/85/70/572888570.db2.gz BXKFVPWKTIVUQD-UHFFFAOYSA-N 1 0 187.302 2.906 10 0 AFAERO CC[NH2+]C/C=C/C(CC)CC 86227720 572891933 /nfs/dbraw/zinc/89/19/33/572891933.db2.gz WTKIHAFBBZRUOS-BQYQJAHWSA-N 1 0 155.285 2.588 10 0 AFAERO CCC[C@H]1C[C@@]1([NH3+])CCC(C)C 86206065 572888620 /nfs/dbraw/zinc/88/86/20/572888620.db2.gz VHQYTRCRFUWMCQ-QWRGUYRKSA-N 1 0 169.312 2.940 10 0 AFAERO CCC[C@@H]1C[C@@]1([NH3+])Cc1cccs1 86206117 572888834 /nfs/dbraw/zinc/88/88/34/572888834.db2.gz ZUZVUTFUPHBISG-MWLCHTKSSA-N 1 0 195.331 2.808 10 0 AFAERO C[C@@H](CC1CC1)[NH2+][C@H](C)CC(F)F 308170198 572889237 /nfs/dbraw/zinc/88/92/37/572889237.db2.gz ZGUQWKJEHYOXJD-JGVFFNPUSA-N 1 0 191.265 2.808 10 0 AFAERO C[C@H](CC1CC1)[NH2+][C@@H]1CC[C@@H](F)C1 308169598 572889107 /nfs/dbraw/zinc/88/91/07/572889107.db2.gz ZAKHSORJDUSCNQ-FBIMIBRVSA-N 1 0 185.286 2.655 10 0 AFAERO CC(C)SCC[NH2+][C@H]1CC=CCC1 308170505 572889183 /nfs/dbraw/zinc/88/91/83/572889183.db2.gz CHXLYGAOZOOTSB-NSHDSACASA-N 1 0 199.363 2.826 10 0 AFAERO CCC[C@H]1C[C@]1([NH3+])CC(C)(C)C 86204505 572889184 /nfs/dbraw/zinc/88/91/84/572889184.db2.gz ZZJLZVKHWCQVRR-ONGXEEELSA-N 1 0 169.312 2.940 10 0 AFAERO CC[C@H]1C[C@]1([NH3+])CCc1ccccc1 86201521 572889241 /nfs/dbraw/zinc/88/92/41/572889241.db2.gz DHJIUVLPIGXCEV-QWHCGFSZSA-N 1 0 189.302 2.747 10 0 AFAERO CCC[C@@H]1C[C@@]1([NH3+])CC(C)(C)C 86204507 572889227 /nfs/dbraw/zinc/88/92/27/572889227.db2.gz ZZJLZVKHWCQVRR-MWLCHTKSSA-N 1 0 169.312 2.940 10 0 AFAERO CCC[C@@H]1C[C@]1([NH3+])Cc1ccccc1 86204309 572889276 /nfs/dbraw/zinc/88/92/76/572889276.db2.gz MUFFNEJMEMIEGZ-CHWSQXEVSA-N 1 0 189.302 2.747 10 0 AFAERO C[NH2+][C@H](C)/C(C)=C\C1(SC)CCC1 308169289 572889298 /nfs/dbraw/zinc/88/92/98/572889298.db2.gz BWKQKGKSDMUPCU-HSTULFTRSA-N 1 0 199.363 2.826 10 0 AFAERO CC(C)[C@@H]1CC[C@H]1[NH2+][C@@H](C)C1CC1 308168536 572889305 /nfs/dbraw/zinc/88/93/05/572889305.db2.gz YMGZLFRMBKRESO-ZMLRMANQSA-N 1 0 181.323 2.809 10 0 AFAERO C[C@@H](CC(F)(F)F)[NH2+][C@H]1CC1(C)C 308168476 572889827 /nfs/dbraw/zinc/88/98/27/572889827.db2.gz YKFSORCZLFMITL-BQBZGAKWSA-N 1 0 195.228 2.715 10 0 AFAERO C[C@H](CC(F)(F)F)[NH2+][C@H]1CC1(C)C 308168479 572889412 /nfs/dbraw/zinc/88/94/12/572889412.db2.gz YKFSORCZLFMITL-RQJHMYQMSA-N 1 0 195.228 2.715 10 0 AFAERO CC(C)CC[NH2+]CC1(F)CCC1 307970215 572889431 /nfs/dbraw/zinc/88/94/31/572889431.db2.gz WSDCTIBOIDSQII-UHFFFAOYSA-N 1 0 173.275 2.514 10 0 AFAERO CC[C@@H]1C[C@]1([NH3+])CCc1ccccc1 86201519 572889579 /nfs/dbraw/zinc/88/95/79/572889579.db2.gz DHJIUVLPIGXCEV-CHWSQXEVSA-N 1 0 189.302 2.747 10 0 AFAERO CC[NH2+]C/C(=C\c1ccco1)CC 86214484 572890518 /nfs/dbraw/zinc/89/05/18/572890518.db2.gz MHRXJYXHZRZRFJ-NTMALXAHSA-N 1 0 179.263 2.683 10 0 AFAERO CC[C@](C)(C[NH3+])CCC(F)(F)F 307970185 572889606 /nfs/dbraw/zinc/88/96/06/572889606.db2.gz WPMNNGJZCGXBBZ-ZETCQYMHSA-N 1 0 183.217 2.704 10 0 AFAERO CC[C@@H]1C[C@@]1([NH3+])CCc1ccccc1 86201523 572889612 /nfs/dbraw/zinc/88/96/12/572889612.db2.gz DHJIUVLPIGXCEV-OLZOCXBDSA-N 1 0 189.302 2.747 10 0 AFAERO CCC[C@@H]1C[C@]1([NH3+])CC(C)(C)C 86204503 572889672 /nfs/dbraw/zinc/88/96/72/572889672.db2.gz ZZJLZVKHWCQVRR-KOLCDFICSA-N 1 0 169.312 2.940 10 0 AFAERO C[NH2+]C/C(C)=C\[C@@H](C)C(C)(C)C 307969265 572889704 /nfs/dbraw/zinc/88/97/04/572889704.db2.gz VZVTWUPBZONNIV-UJICNMFASA-N 1 0 169.312 2.834 10 0 AFAERO C[NH2+][C@H](C)/C(C)=C/C1(SC)CCC1 308169287 572889706 /nfs/dbraw/zinc/88/97/06/572889706.db2.gz BWKQKGKSDMUPCU-AAXQSMANSA-N 1 0 199.363 2.826 10 0 AFAERO CCC[C@@H]1C[C@]1([NH3+])CCC(C)C 86206058 572889726 /nfs/dbraw/zinc/88/97/26/572889726.db2.gz VHQYTRCRFUWMCQ-GHMZBOCLSA-N 1 0 169.312 2.940 10 0 AFAERO CCC[N@H+](CC1CC1)[C@@H](C)C1CC1 308169433 572889752 /nfs/dbraw/zinc/88/97/52/572889752.db2.gz AWBWQYPQNPUNGG-JTQLQIEISA-N 1 0 181.323 2.907 10 0 AFAERO C[NH2+][C@@H](C)/C(C)=C\C1(SC)CCC1 308169290 572889815 /nfs/dbraw/zinc/88/98/15/572889815.db2.gz BWKQKGKSDMUPCU-QROTZFDESA-N 1 0 199.363 2.826 10 0 AFAERO CCC[C@@H]1C[C@]1([NH3+])Cc1cccs1 86206114 572889852 /nfs/dbraw/zinc/88/98/52/572889852.db2.gz ZUZVUTFUPHBISG-KOLCDFICSA-N 1 0 195.331 2.808 10 0 AFAERO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H](C)C1CC1 308168535 572889921 /nfs/dbraw/zinc/88/99/21/572889921.db2.gz YMGZLFRMBKRESO-USWWRNFRSA-N 1 0 181.323 2.809 10 0 AFAERO CCC[C@H]1CCCC[N@@H+]1CCF 307969498 572889981 /nfs/dbraw/zinc/88/99/81/572889981.db2.gz FYCBXLNKMSJMIZ-JTQLQIEISA-N 1 0 173.275 2.611 10 0 AFAERO CC/C(=C/[C@@H](C)CC)C[NH2+]CCOC 86214888 572890525 /nfs/dbraw/zinc/89/05/25/572890525.db2.gz QUIOAXGYPLVKCE-AWPPVZKDSA-N 1 0 199.338 2.605 10 0 AFAERO CC[NH2+]C/C=C/c1c(F)cccc1F 86227767 572890365 /nfs/dbraw/zinc/89/03/65/572890365.db2.gz SBUGAEJSUBLXNR-SNAWJCMRSA-N 1 0 197.228 2.588 10 0 AFAERO CC/C(=C\c1ccc(F)cc1)C[NH2+]C 86214299 572890375 /nfs/dbraw/zinc/89/03/75/572890375.db2.gz YKSRFMTZJOIRCM-CSKARUKUSA-N 1 0 193.265 2.839 10 0 AFAERO [NH3+][C@H]1CCCc2scc(C3CC3)c21 75625061 572890391 /nfs/dbraw/zinc/89/03/91/572890391.db2.gz ZNWJGGXFIYIEJX-VIFPVBQESA-N 1 0 193.315 2.962 10 0 AFAERO CC/C(=C\c1ccc(CC)o1)C[NH2+]C 86214258 572890428 /nfs/dbraw/zinc/89/04/28/572890428.db2.gz VLKKMFDFVOMHDV-CSKARUKUSA-N 1 0 193.290 2.855 10 0 AFAERO CC[NH2+]C/C=C/c1cccc(C)c1 86227842 572890455 /nfs/dbraw/zinc/89/04/55/572890455.db2.gz NMLFLPRDHJEVSH-VMPITWQZSA-N 1 0 175.275 2.618 10 0 AFAERO CCC(CC)C[NH2+]CCC(F)F 308169780 572890463 /nfs/dbraw/zinc/89/04/63/572890463.db2.gz WDUSJEYYFMHDDP-UHFFFAOYSA-N 1 0 179.254 2.667 10 0 AFAERO CC/C(=C\C(C)C)C[NH2+]C(C)C 86214655 572890503 /nfs/dbraw/zinc/89/05/03/572890503.db2.gz VTWVDPPEKCDLFX-YRNVUSSQSA-N 1 0 169.312 2.977 10 0 AFAERO CCc1ccc(/C=C/C[NH2+]C)s1 86227572 572890584 /nfs/dbraw/zinc/89/05/84/572890584.db2.gz VDJGWWQBDMJCKQ-SNAWJCMRSA-N 1 0 181.304 2.543 10 0 AFAERO CCC[NH2+]C/C=C/c1ccc(Cl)o1 86227942 572890589 /nfs/dbraw/zinc/89/05/89/572890589.db2.gz OPMWGKJBBJUNTQ-ONEGZZNKSA-N 1 0 199.681 2.946 10 0 AFAERO CC[NH2+]C/C=C/c1ccc(C)c(F)c1 86227803 572890618 /nfs/dbraw/zinc/89/06/18/572890618.db2.gz YTAUALZCOQXWDV-SNAWJCMRSA-N 1 0 193.265 2.757 10 0 AFAERO C/C=C\C[N@@H+](CC)C1CCCC1 307972773 572890620 /nfs/dbraw/zinc/89/06/20/572890620.db2.gz IJMODTQQPDJDQX-HYXAFXHYSA-N 1 0 167.296 2.827 10 0 AFAERO CC[NH2+]C/C=C/[C@@H]1CCC[C@@H](C)C1 86227777 572890638 /nfs/dbraw/zinc/89/06/38/572890638.db2.gz ZRSYTQDMTFJWIP-XPMWWOIKSA-N 1 0 181.323 2.978 10 0 AFAERO CC[NH2+]C/C=C/c1cc(C)sc1C 86227817 572890642 /nfs/dbraw/zinc/89/06/42/572890642.db2.gz ZSMRWQQXRLDNLL-AATRIKPKSA-N 1 0 195.331 2.988 10 0 AFAERO CC[NH2+]C/C(=C\c1ccoc1)CC 86214397 572890657 /nfs/dbraw/zinc/89/06/57/572890657.db2.gz DRHMYTGBZWLMFO-YFHOEESVSA-N 1 0 179.263 2.683 10 0 AFAERO CC/C(=C\c1ccc(Cl)o1)C[NH2+]C 86214242 572890663 /nfs/dbraw/zinc/89/06/63/572890663.db2.gz ZCIMDAAICYMVQR-SOFGYWHQSA-N 1 0 199.681 2.946 10 0 AFAERO CCC[N@H+](CC1CC1)[C@H](C)C1CC1 308169434 572890687 /nfs/dbraw/zinc/89/06/87/572890687.db2.gz AWBWQYPQNPUNGG-SNVBAGLBSA-N 1 0 181.323 2.907 10 0 AFAERO CC[NH2+]C/C=C/c1sccc1C 86227844 572890703 /nfs/dbraw/zinc/89/07/03/572890703.db2.gz 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CCC[NH2+][C@H]1CCCC[C@@H](COC)C1 86528748 572951029 /nfs/dbraw/zinc/95/10/29/572951029.db2.gz OAOXTGKCVDOBTM-NEPJUHHUSA-N 1 0 199.338 2.581 10 0 AFAERO CCCCCOCC[C@@H]1CCC[C@@H]1[NH3+] 86533793 572951038 /nfs/dbraw/zinc/95/10/38/572951038.db2.gz FQLPGLVAXCVOQY-RYUDHWBXSA-N 1 0 199.338 2.711 10 0 AFAERO CC[C@@](C)(C[NH3+])C1CCC(OC)CC1 686341031 572951047 /nfs/dbraw/zinc/95/10/47/572951047.db2.gz PVHKTGUCVLOOAD-MCIGGMRASA-N 1 0 199.338 2.567 10 0 AFAERO CCCOCCC[C@@H](CC)[NH2+]CC 86528775 572951074 /nfs/dbraw/zinc/95/10/74/572951074.db2.gz RETVNCSUFFJTSN-LLVKDONJSA-N 1 0 187.327 2.581 10 0 AFAERO C[NH2+][C@H]1CCC[C@H]1CCOC(C)(C)C 86533654 572951078 /nfs/dbraw/zinc/95/10/78/572951078.db2.gz IBUNQRGOSOUOEA-QWRGUYRKSA-N 1 0 199.338 2.580 10 0 AFAERO CCC[NH2+][C@@H]1CCCC[C@H](COC)C1 86528743 572951102 /nfs/dbraw/zinc/95/11/02/572951102.db2.gz OAOXTGKCVDOBTM-NWDGAFQWSA-N 1 0 199.338 2.581 10 0 AFAERO CC[NH2+][C@H]1CCC[C@H]1CCSC 86535066 572951106 /nfs/dbraw/zinc/95/11/06/572951106.db2.gz 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573012385 /nfs/dbraw/zinc/01/23/85/573012385.db2.gz OVUGFKGJHKOOBZ-NSHDSACASA-N 1 0 167.296 2.565 10 0 AFAERO CC[C@@H]1CCCC[C@H]1C[C@@H](C)[NH3+] 87934710 573012437 /nfs/dbraw/zinc/01/24/37/573012437.db2.gz KIFSMFOLEJKISP-MXWKQRLJSA-N 1 0 169.312 2.940 10 0 AFAERO Cc1ccc([C@H]2CC[C@@H]2[NH3+])cc1C 87934940 573012508 /nfs/dbraw/zinc/01/25/08/573012508.db2.gz DTGYHTZIFSXEDJ-NEPJUHHUSA-N 1 0 175.275 2.508 10 0 AFAERO C1CC(C[NH2+]CC[C@@H]2CC[C@@H]3C[C@H]23)C1 717030622 573012527 /nfs/dbraw/zinc/01/25/27/573012527.db2.gz SZEMZHHIBDJYEC-YNEHKIRRSA-N 1 0 193.334 2.812 10 0 AFAERO Cc1ccc(C)c(C[C@H]2CC[C@H]2[NH3+])c1 87935489 573012533 /nfs/dbraw/zinc/01/25/33/573012533.db2.gz RTYGDODQGHXDJG-DGCLKSJQSA-N 1 0 189.302 2.583 10 0 AFAERO CC[C@@H]1C[C@]1([NH3+])C(C1CC1)C1CC1 308224272 573012535 /nfs/dbraw/zinc/01/25/35/573012535.db2.gz PTQKZBXIYBMIOL-ZYHUDNBSSA-N 1 0 179.307 2.550 10 0 AFAERO CC[C@H](C)[NH2+][C@H]1CC[C@H](C2CC2)C1 308222792 573012546 /nfs/dbraw/zinc/01/25/46/573012546.db2.gz 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/nfs/dbraw/zinc/03/19/37/573031937.db2.gz VPIRZJJFTPDEET-UHFFFAOYSA-N 1 0 182.311 2.742 10 0 AFAERO CCc1c(C)cccc1[C@H](C)[NH3+] 104580586 573031943 /nfs/dbraw/zinc/03/19/43/573031943.db2.gz ARRCTTADSDEYFG-VIFPVBQESA-N 1 0 163.264 2.577 10 0 AFAERO CC[C@H](C)[C@](C)([NH3+])c1cnccc1C 85440659 573031945 /nfs/dbraw/zinc/03/19/45/573031945.db2.gz XUIMPUTZRXQTLH-JQWIXIFHSA-N 1 0 192.306 2.610 10 0 AFAERO C[NH2+]C[C@@H]1CCCCC[C@@H]1C1CC1 87962465 573031977 /nfs/dbraw/zinc/03/19/77/573031977.db2.gz CERMVJUMOKHIOI-NWDGAFQWSA-N 1 0 181.323 2.812 10 0 AFAERO CCc1c(C)cccc1[C@@H](C)[NH3+] 104580584 573031996 /nfs/dbraw/zinc/03/19/96/573031996.db2.gz ARRCTTADSDEYFG-SECBINFHSA-N 1 0 163.264 2.577 10 0 AFAERO CC[C@@H](C)[C@@](C)([NH3+])c1cnccc1C 85440661 573032001 /nfs/dbraw/zinc/03/20/01/573032001.db2.gz XUIMPUTZRXQTLH-ZYHUDNBSSA-N 1 0 192.306 2.610 10 0 AFAERO CC(C)[C@H]([NH3+])c1ccc([S-])cc1 104577546 573032044 /nfs/dbraw/zinc/03/20/44/573032044.db2.gz PEUGCZNCFXRCFM-JTQLQIEISA-N 1 0 181.304 2.631 10 0 AFAERO C[C@H]1CC[NH2+]C[C@@H]1c1ccccc1F 85442364 573032124 /nfs/dbraw/zinc/03/21/24/573032124.db2.gz OSFRETZLSQMXPT-ONGXEEELSA-N 1 0 193.265 2.539 10 0 AFAERO CC[C@H]1CCCCC[C@@H]1C[NH2+]C 87962650 573032150 /nfs/dbraw/zinc/03/21/50/573032150.db2.gz BPUBHLJYANWCFU-WDEREUQCSA-N 1 0 169.312 2.812 10 0 AFAERO CC[C@@H]1C[C@@H](C)CC[C@@H]1C[NH2+]C 87963929 573032233 /nfs/dbraw/zinc/03/22/33/573032233.db2.gz DHMNNDHLDIYLME-HBNTYKKESA-N 1 0 169.312 2.668 10 0 AFAERO C[C@H]1CC[NH2+]C[C@@H]1c1cccc(F)c1 85442469 573032247 /nfs/dbraw/zinc/03/22/47/573032247.db2.gz VVNSKSGPVNUXCQ-CABZTGNLSA-N 1 0 193.265 2.539 10 0 AFAERO C[NH2+]C[C@@H]1CCC(C)(C)C[C@@H]1C 87966358 573033661 /nfs/dbraw/zinc/03/36/61/573033661.db2.gz ZQGMZTNZJPDPDP-UWVGGRQHSA-N 1 0 169.312 2.668 10 0 AFAERO C[C@H]1CC[NH2+]C[C@H]1c1ccccc1F 85442368 573032489 /nfs/dbraw/zinc/03/24/89/573032489.db2.gz OSFRETZLSQMXPT-GXSJLCMTSA-N 1 0 193.265 2.539 10 0 AFAERO C[C@@H]1CC[NH2+]C[C@@H]1c1cccc(F)c1 85442467 573032495 /nfs/dbraw/zinc/03/24/95/573032495.db2.gz VVNSKSGPVNUXCQ-SKDRFNHKSA-N 1 0 193.265 2.539 10 0 AFAERO CC(C)c1cncc(C2([NH3+])CCC2)c1 259313825 573032500 /nfs/dbraw/zinc/03/25/00/573032500.db2.gz NTJACRBCFYIRHI-UHFFFAOYSA-N 1 0 190.290 2.543 10 0 AFAERO CC[NH2+][C@@H](CC)C(C1CC1)C1CC1 308236597 573032544 /nfs/dbraw/zinc/03/25/44/573032544.db2.gz WGKHOUVHVIIMIG-NSHDSACASA-N 1 0 181.323 2.811 10 0 AFAERO CCC[C@@H]([NH3+])CC(C)(C)C 82409312 573032589 /nfs/dbraw/zinc/03/25/89/573032589.db2.gz IWUNSOIFZNDJJF-MRVPVSSYSA-N 1 0 143.274 2.550 10 0 AFAERO C[NH2+]C[C@@H]1CCCC[C@@H]1c1ccoc1 87960589 573032618 /nfs/dbraw/zinc/03/26/18/573032618.db2.gz WFBUJKAOVMELSE-JQWIXIFHSA-N 1 0 193.290 2.773 10 0 AFAERO CCc1cccc(F)c1[C@@H]([NH3+])CC 104577998 573032642 /nfs/dbraw/zinc/03/26/42/573032642.db2.gz JSUCLGHJGUPRMS-JTQLQIEISA-N 1 0 181.254 2.798 10 0 AFAERO CC(C)[C@H](C[NH3+])CC(C)(C)C 82405798 573032645 /nfs/dbraw/zinc/03/26/45/573032645.db2.gz FHUVHSCRIJKGHZ-VIFPVBQESA-N 1 0 157.301 2.654 10 0 AFAERO CC(C)[C@H](C)C[NH2+]CCCC(F)F 688733074 573032647 /nfs/dbraw/zinc/03/26/47/573032647.db2.gz CBVFBGILWMMSAM-SECBINFHSA-N 1 0 193.281 2.913 10 0 AFAERO C[NH2+]C[C@H]1CCC[C@H]1c1cccs1 87957674 573032665 /nfs/dbraw/zinc/03/26/65/573032665.db2.gz LHRTZGWCNWAJDZ-NXEZZACHSA-N 1 0 195.331 2.851 10 0 AFAERO C[C@H](C[NH3+])C1CCCCCC1 82406505 573032717 /nfs/dbraw/zinc/03/27/17/573032717.db2.gz WJPOHVQEJUUJJY-SECBINFHSA-N 1 0 155.285 2.552 10 0 AFAERO C[NH2+]C[C@@H]1CCCC[C@H]1C(C)C 87960341 573032725 /nfs/dbraw/zinc/03/27/25/573032725.db2.gz DTGKJKHEIWFCEF-QWRGUYRKSA-N 1 0 169.312 2.668 10 0 AFAERO Cc1ccccc1[C@@H]1C[NH2+]CC[C@H]1C 85442579 573032756 /nfs/dbraw/zinc/03/27/56/573032756.db2.gz KILTYMUHFURRKY-DGCLKSJQSA-N 1 0 189.302 2.708 10 0 AFAERO C[C@H]1CCC[C@H](SCC2C[NH2+]C2)C1 85444174 573032769 /nfs/dbraw/zinc/03/27/69/573032769.db2.gz XRZFLHQHNDIZKR-ONGXEEELSA-N 1 0 199.363 2.518 10 0 AFAERO C[NH2+]C[C@@H]1CCC[C@@H]1c1ccccc1 87957943 573032770 /nfs/dbraw/zinc/03/27/70/573032770.db2.gz SYPMDBIRFSKYHX-QWHCGFSZSA-N 1 0 189.302 2.790 10 0 AFAERO CCC(CC)CC(C)(C)C[NH3+] 128400559 573032873 /nfs/dbraw/zinc/03/28/73/573032873.db2.gz LESYALMMCYXFOB-UHFFFAOYSA-N 1 0 157.301 2.798 10 0 AFAERO C[NH2+]C[C@@H]1CCCC[C@@H]1C(C)C 87960344 573032928 /nfs/dbraw/zinc/03/29/28/573032928.db2.gz DTGKJKHEIWFCEF-WDEREUQCSA-N 1 0 169.312 2.668 10 0 AFAERO C[NH2+]C[C@@H]1CCC[C@H]1c1ccsc1 87958120 573032967 /nfs/dbraw/zinc/03/29/67/573032967.db2.gz RCQKOTYOUXTDQW-GXSJLCMTSA-N 1 0 195.331 2.851 10 0 AFAERO C[NH2+]C[C@H]1CCC[C@@H]1C1CCCC1 87957972 573033012 /nfs/dbraw/zinc/03/30/12/573033012.db2.gz PSMQCOMYHPVCOE-VXGBXAGGSA-N 1 0 181.323 2.812 10 0 AFAERO C[NH2+]C[C@H]1CCCC[C@H]1c1ccoc1 87960594 573033021 /nfs/dbraw/zinc/03/30/21/573033021.db2.gz WFBUJKAOVMELSE-ZYHUDNBSSA-N 1 0 193.290 2.773 10 0 AFAERO CC[C@](C)(F)C[C@@H]1CCC[NH2+]C1 257931950 573033034 /nfs/dbraw/zinc/03/30/34/573033034.db2.gz TUGWSXLBIALFEF-UWVGGRQHSA-N 1 0 173.275 2.514 10 0 AFAERO CCC[NH2+]CCC(C)(C)CC 87957315 573033036 /nfs/dbraw/zinc/03/30/36/573033036.db2.gz CQFXDWYKKKXBNF-UHFFFAOYSA-N 1 0 157.301 2.812 10 0 AFAERO C[C@@H]1CC[NH2+]C[C@@H]1c1ccc(F)cc1 85442481 573033039 /nfs/dbraw/zinc/03/30/39/573033039.db2.gz WUGWAVBNBCPQCE-SKDRFNHKSA-N 1 0 193.265 2.539 10 0 AFAERO C[NH2+]CCC(C)(C)C(C)(C)C 87957063 573033045 /nfs/dbraw/zinc/03/30/45/573033045.db2.gz MNFWEYGOFUCUNZ-UHFFFAOYSA-N 1 0 157.301 2.668 10 0 AFAERO C[NH2+]C[C@H]1CCCC[C@@H]1c1ccco1 87960465 573033054 /nfs/dbraw/zinc/03/30/54/573033054.db2.gz QOZBZAKJJVYHHB-MNOVXSKESA-N 1 0 193.290 2.773 10 0 AFAERO Cc1ccncc1[C@H]([NH3+])CC(C)(C)C 85441503 573033058 /nfs/dbraw/zinc/03/30/58/573033058.db2.gz RCQQPHVFZTVBKV-LLVKDONJSA-N 1 0 192.306 2.826 10 0 AFAERO CCC[C@H]([NH3+])c1ccc(C)c(O)c1 104579147 573033083 /nfs/dbraw/zinc/03/30/83/573033083.db2.gz DHJVXXCGIAMCLA-JTQLQIEISA-N 1 0 179.263 2.501 10 0 AFAERO CC[NH2+][C@H](CC)C(C1CC1)C1CC1 308236592 573033085 /nfs/dbraw/zinc/03/30/85/573033085.db2.gz WGKHOUVHVIIMIG-LLVKDONJSA-N 1 0 181.323 2.811 10 0 AFAERO Cc1cccc([C@H]2C[NH2+]CC[C@@H]2C)c1 85442514 573033620 /nfs/dbraw/zinc/03/36/20/573033620.db2.gz UHIDUMMNLVZABU-AAEUAGOBSA-N 1 0 189.302 2.708 10 0 AFAERO C[C@H]1CCCCC[C@H]1C[NH2+]C1CC1 87963470 573033107 /nfs/dbraw/zinc/03/31/07/573033107.db2.gz NBXDJMLNDHVPGB-QWRGUYRKSA-N 1 0 181.323 2.955 10 0 AFAERO Cc1ccc([C@@H]2C[NH2+]CC[C@@H]2C)cc1 85442501 573033166 /nfs/dbraw/zinc/03/31/66/573033166.db2.gz NOGGMEPMNQUDHO-WCQYABFASA-N 1 0 189.302 2.708 10 0 AFAERO C[NH2+]Cc1oc2c(F)cccc2c1C 87968535 573033191 /nfs/dbraw/zinc/03/31/91/573033191.db2.gz JOEIJTPWEMNABD-UHFFFAOYSA-N 1 0 193.221 2.600 10 0 AFAERO CCOC[C@H]([NH3+])CC1CCCCCC1 131849830 573033220 /nfs/dbraw/zinc/03/32/20/573033220.db2.gz RAMZAGCRZQEBDT-GFCCVEGCSA-N 1 0 199.338 2.711 10 0 AFAERO C[NH2+]C[C@H]1CCCCC[C@@H]1C1CC1 87962467 573033249 /nfs/dbraw/zinc/03/32/49/573033249.db2.gz CERMVJUMOKHIOI-VXGBXAGGSA-N 1 0 181.323 2.812 10 0 AFAERO Cc1ccncc1[C@@H]([NH3+])C1CCCC1 85441345 573033279 /nfs/dbraw/zinc/03/32/79/573033279.db2.gz SNSGCTCANQRWMU-LBPRGKRZSA-N 1 0 190.290 2.580 10 0 AFAERO C[NH2+]C[C@@H]1CCC[C@@H]1C(C)(C)C 87958070 573033301 /nfs/dbraw/zinc/03/33/01/573033301.db2.gz IBKJAGDPMRUKQQ-UWVGGRQHSA-N 1 0 169.312 2.668 10 0 AFAERO C[NH2+]C[C@H]1CCCC[C@@H]1c1ccoc1 87960590 573033308 /nfs/dbraw/zinc/03/33/08/573033308.db2.gz WFBUJKAOVMELSE-PWSUYJOCSA-N 1 0 193.290 2.773 10 0 AFAERO CCc1cc(CC)cc([C@H](C)[NH3+])c1 104577928 573033312 /nfs/dbraw/zinc/03/33/12/573033312.db2.gz KOKKEOFZKOKWFP-VIFPVBQESA-N 1 0 177.291 2.831 10 0 AFAERO CCC[C@@H]([NH3+])c1ccc([S-])cc1 104577551 573033321 /nfs/dbraw/zinc/03/33/21/573033321.db2.gz JELIPJUGUAHJDD-SNVBAGLBSA-N 1 0 181.304 2.775 10 0 AFAERO CC(C)[C@@H]([NH3+])c1ccc([S-])cc1 104577548 573033342 /nfs/dbraw/zinc/03/33/42/573033342.db2.gz PEUGCZNCFXRCFM-SNVBAGLBSA-N 1 0 181.304 2.631 10 0 AFAERO [NH3+]CCc1csc2c(F)cccc12 87969169 573033350 /nfs/dbraw/zinc/03/33/50/573033350.db2.gz XNRVBMBCPZAQCE-UHFFFAOYSA-N 1 0 195.262 2.542 10 0 AFAERO CC[C@@H]1CCCCC[C@@H]1C[NH2+]C 87962648 573033627 /nfs/dbraw/zinc/03/36/27/573033627.db2.gz BPUBHLJYANWCFU-GHMZBOCLSA-N 1 0 169.312 2.812 10 0 AFAERO CC1(C)[C@H](c2ccccc2)C[C@H]1[NH3+] 87969327 573033359 /nfs/dbraw/zinc/03/33/59/573033359.db2.gz XDSQZLSBYVHQQK-WDEREUQCSA-N 1 0 175.275 2.527 10 0 AFAERO Cc1ccc(C)c2c(C)c(C[NH3+])oc12 87968647 573033390 /nfs/dbraw/zinc/03/33/90/573033390.db2.gz YCAKKXIAECDWLQ-UHFFFAOYSA-N 1 0 189.258 2.817 10 0 AFAERO CC[NH2+]C[C@@H]1CC1(C(C)C)C(C)C 308235045 573033400 /nfs/dbraw/zinc/03/34/00/573033400.db2.gz VLRPIMYCHCMLDM-NSHDSACASA-N 1 0 183.339 2.914 10 0 AFAERO C[NH2+]C[C@H]1CCC[C@H]1C(C)(C)C 87958067 573033477 /nfs/dbraw/zinc/03/34/77/573033477.db2.gz IBKJAGDPMRUKQQ-NXEZZACHSA-N 1 0 169.312 2.668 10 0 AFAERO CC(C)C[NH2+]C[C@H]1CC[C@H]1C(C)C 87956745 573033486 /nfs/dbraw/zinc/03/34/86/573033486.db2.gz DUEKUGLEJZAXLM-NEPJUHHUSA-N 1 0 183.339 2.914 10 0 AFAERO C[C@H]1CC[NH2+]C[C@H]1c1cccc(F)c1 85442473 573033495 /nfs/dbraw/zinc/03/34/95/573033495.db2.gz VVNSKSGPVNUXCQ-JOYOIKCWSA-N 1 0 193.265 2.539 10 0 AFAERO C[NH2+]C[C@H]1CCCC[C@H]1C(C)C 87960338 573033500 /nfs/dbraw/zinc/03/35/00/573033500.db2.gz DTGKJKHEIWFCEF-MNOVXSKESA-N 1 0 169.312 2.668 10 0 AFAERO Cc1c(C[NH3+])sc2c(F)cccc12 87969178 573033506 /nfs/dbraw/zinc/03/35/06/573033506.db2.gz PKRJLQFYAOQDEX-UHFFFAOYSA-N 1 0 195.262 2.808 10 0 AFAERO Cc1ccc([C@H]2C[NH2+]CC[C@@H]2C)cc1 85442503 573033511 /nfs/dbraw/zinc/03/35/11/573033511.db2.gz NOGGMEPMNQUDHO-AAEUAGOBSA-N 1 0 189.302 2.708 10 0 AFAERO Cc1cc([C@H](C)[NH3+])c(Cl)cc1F 87974041 573033519 /nfs/dbraw/zinc/03/35/19/573033519.db2.gz QQQJBODCYWGXQP-LURJTMIESA-N 1 0 187.645 2.807 10 0 AFAERO C[NH2+]C[C@@H]1CCC[C@H]1C(C)(C)C 87958069 573033637 /nfs/dbraw/zinc/03/36/37/573033637.db2.gz IBKJAGDPMRUKQQ-VHSXEESVSA-N 1 0 169.312 2.668 10 0 AFAERO CC[NH2+]C[C@H]1CC1(C(C)C)C(C)C 308235044 573033711 /nfs/dbraw/zinc/03/37/11/573033711.db2.gz VLRPIMYCHCMLDM-LLVKDONJSA-N 1 0 183.339 2.914 10 0 AFAERO Cc1ccc([C@@H]2C[NH2+]CC[C@H]2C)cc1 85442504 573033724 /nfs/dbraw/zinc/03/37/24/573033724.db2.gz NOGGMEPMNQUDHO-DGCLKSJQSA-N 1 0 189.302 2.708 10 0 AFAERO Cc1ccncc1[C@H]([NH3+])C1CCCC1 85441343 573033758 /nfs/dbraw/zinc/03/37/58/573033758.db2.gz SNSGCTCANQRWMU-GFCCVEGCSA-N 1 0 190.290 2.580 10 0 AFAERO CCCCCCSCC1C[NH2+]C1 85443887 573033762 /nfs/dbraw/zinc/03/37/62/573033762.db2.gz URVSFUCNDNWEBL-UHFFFAOYSA-N 1 0 187.352 2.519 10 0 AFAERO Cc1ccccc1[C@H]1C[NH2+]CC[C@H]1C 85442580 573033781 /nfs/dbraw/zinc/03/37/81/573033781.db2.gz KILTYMUHFURRKY-YPMHNXCESA-N 1 0 189.302 2.708 10 0 AFAERO CCOC[C@@H]([NH3+])CC1CCCCCC1 131850019 573033790 /nfs/dbraw/zinc/03/37/90/573033790.db2.gz RAMZAGCRZQEBDT-LBPRGKRZSA-N 1 0 199.338 2.711 10 0 AFAERO CCC[C@H]([NH3+])c1ccc([S-])cc1 104577549 573033804 /nfs/dbraw/zinc/03/38/04/573033804.db2.gz JELIPJUGUAHJDD-JTQLQIEISA-N 1 0 181.304 2.775 10 0 AFAERO C[C@@H]1CCCCC[C@@H]1C[NH2+]C1CC1 87963463 573033806 /nfs/dbraw/zinc/03/38/06/573033806.db2.gz NBXDJMLNDHVPGB-GHMZBOCLSA-N 1 0 181.323 2.955 10 0 AFAERO CCCNC1=[NH+][C@@H](C)C(C)=C(C)S1 238248705 573033809 /nfs/dbraw/zinc/03/38/09/573033809.db2.gz ZUNMHFGJTKHQOC-QMMMGPOBSA-N 1 0 198.335 2.771 10 0 AFAERO Cc1ccc(F)c2oc(C[NH3+])c(C)c12 87968992 573033852 /nfs/dbraw/zinc/03/38/52/573033852.db2.gz COTREHRTYPIAEL-UHFFFAOYSA-N 1 0 193.221 2.647 10 0 AFAERO C[C@@H]1CC[NH2+]C[C@H]1c1ccccc1F 85442366 573033864 /nfs/dbraw/zinc/03/38/64/573033864.db2.gz OSFRETZLSQMXPT-MWLCHTKSSA-N 1 0 193.265 2.539 10 0 AFAERO C[NH2+]C[C@H]1CCC(C)(C)C[C@@H]1C 87966353 573033865 /nfs/dbraw/zinc/03/38/65/573033865.db2.gz ZQGMZTNZJPDPDP-VHSXEESVSA-N 1 0 169.312 2.668 10 0 AFAERO C[NH2+]C[C@@H]1CCC[C@H]1c1cccs1 87957673 573033868 /nfs/dbraw/zinc/03/38/68/573033868.db2.gz LHRTZGWCNWAJDZ-VHSXEESVSA-N 1 0 195.331 2.851 10 0 AFAERO C[NH2+]C[C@@H]1CCC[C@@H]1c1cccs1 87957671 573033875 /nfs/dbraw/zinc/03/38/75/573033875.db2.gz LHRTZGWCNWAJDZ-UWVGGRQHSA-N 1 0 195.331 2.851 10 0 AFAERO CC[C@H](C)[C@@](C)([NH3+])c1cnccc1C 85440664 573033899 /nfs/dbraw/zinc/03/38/99/573033899.db2.gz XUIMPUTZRXQTLH-CMPLNLGQSA-N 1 0 192.306 2.610 10 0 AFAERO C[C@@H]1CCCCC[C@H]1C[NH2+]C1CC1 87963468 573033905 /nfs/dbraw/zinc/03/39/05/573033905.db2.gz NBXDJMLNDHVPGB-MNOVXSKESA-N 1 0 181.323 2.955 10 0 AFAERO F[C@@H](c1cccc(Cl)c1)[C@@H]1CC[NH2+]1 257925631 573033909 /nfs/dbraw/zinc/03/39/09/573033909.db2.gz YVEIBBMFIVAKCL-UWVGGRQHSA-N 1 0 199.656 2.713 10 0 AFAERO C[C@H]1CC[NH2+]C[C@H]1c1ccc(F)cc1 85442484 573033917 /nfs/dbraw/zinc/03/39/17/573033917.db2.gz WUGWAVBNBCPQCE-JOYOIKCWSA-N 1 0 193.265 2.539 10 0 AFAERO C[NH2+][C@@H](c1cnccc1C)C(C)(C)C 85441325 573033954 /nfs/dbraw/zinc/03/39/54/573033954.db2.gz SEGIZMFQKHZNDV-NSHDSACASA-N 1 0 192.306 2.697 10 0 AFAERO Cc1cc([C@@H](C)[NH3+])c(Cl)cc1F 87974039 573033965 /nfs/dbraw/zinc/03/39/65/573033965.db2.gz QQQJBODCYWGXQP-ZCFIWIBFSA-N 1 0 187.645 2.807 10 0 AFAERO C[C@H]1CCCCC[C@@H]1C[NH2+]C1CC1 87963465 573033984 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573107407 /nfs/dbraw/zinc/10/74/07/573107407.db2.gz SCJNLCLVAPJXPS-HYXAFXHYSA-N 1 0 181.304 2.679 10 0 AFAERO C[C@@H]1CC[C@H](/C=C/c2ccccc2)[NH2+]1 224820596 573107550 /nfs/dbraw/zinc/10/75/50/573107550.db2.gz CJEYYKUKGYBZKR-NOTXVMONSA-N 1 0 187.286 2.840 10 0 AFAERO C[C@H]([NH3+])C[C@@H]1CCCc2ccccc21 82583138 573107568 /nfs/dbraw/zinc/10/75/68/573107568.db2.gz ZGAGAYQBMMPBBL-JQWIXIFHSA-N 1 0 189.302 2.844 10 0 AFAERO CC[C@@H]([NH3+])c1ccoc1C(F)(F)F 238284834 573107710 /nfs/dbraw/zinc/10/77/10/573107710.db2.gz NHHURLMGYYXOLG-ZCFIWIBFSA-N 1 0 193.168 2.708 10 0 AFAERO Fc1ccc(NC2=[NH+]CCC2)cc1F 88225395 573107723 /nfs/dbraw/zinc/10/77/23/573107723.db2.gz SUTSLIDQJAETTL-UHFFFAOYSA-N 1 0 196.200 2.569 10 0 AFAERO C[C@H](F)CC[N@H+](C)[C@H]1CC[C@H](C)C1 308264087 573107753 /nfs/dbraw/zinc/10/77/53/573107753.db2.gz OYNCUVBXRZEYMT-DCAQKATOSA-N 1 0 187.302 2.855 10 0 AFAERO CCC[C@@H]([NH3+])Cc1ccc(F)cc1F 50885974 573107754 /nfs/dbraw/zinc/10/77/54/573107754.db2.gz YOHZXAIXHDMKJR-SNVBAGLBSA-N 1 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573108334 /nfs/dbraw/zinc/10/83/34/573108334.db2.gz YWSIKIIVGOOJFA-LBPRGKRZSA-N 1 0 189.302 2.845 10 0 AFAERO CC[C@@]1(C)[C@@H]([NH2+]C)[C@H]2CCCC[C@H]21 88186361 573108485 /nfs/dbraw/zinc/10/84/85/573108485.db2.gz DLYLZFSFIMNDRB-WHOHXGKFSA-N 1 0 181.323 2.811 10 0 AFAERO CCC[NH+](CCC)CC(C)(C)C(C)=O 85677128 573108508 /nfs/dbraw/zinc/10/85/08/573108508.db2.gz GWHKOVNZEJTKNA-UHFFFAOYSA-N 1 0 199.338 2.724 10 0 AFAERO C[C@H](c1ccccn1)[C@H]([NH3+])C(C)(C)C 85666902 573108562 /nfs/dbraw/zinc/10/85/62/573108562.db2.gz BUQHPBWDWBZRRV-KOLCDFICSA-N 1 0 192.306 2.559 10 0 AFAERO CC(C)(C)CC(C)(C)NC1=[NH+]CCC1 88225424 573108718 /nfs/dbraw/zinc/10/87/18/573108718.db2.gz QUXCUPHGRRVNFW-UHFFFAOYSA-N 1 0 196.338 2.983 10 0 AFAERO CSc1cc(C)ccc1C(C)(C)[NH3+] 257953815 573108730 /nfs/dbraw/zinc/10/87/30/573108730.db2.gz BCLUZQVVDZVXOJ-UHFFFAOYSA-N 1 0 195.331 2.911 10 0 AFAERO C[C@@H](c1ccccn1)[C@H]([NH3+])C(C)(C)C 85666900 573109167 /nfs/dbraw/zinc/10/91/67/573109167.db2.gz BUQHPBWDWBZRRV-ONGXEEELSA-N 1 0 192.306 2.559 10 0 AFAERO C[NH2+]C[C@@]1(CC2CCC2)CCCS1 317635015 573108815 /nfs/dbraw/zinc/10/88/15/573108815.db2.gz YRXMTEJPGSPPIW-NSHDSACASA-N 1 0 199.363 2.662 10 0 AFAERO CC[C@@]12CC[NH2+][C@H]1c1ccccc1C2 238284726 573108968 /nfs/dbraw/zinc/10/89/68/573108968.db2.gz BLNIDQMGBBKGNO-STQMWFEESA-N 1 0 187.286 2.674 10 0 AFAERO C[C@@H]([NH3+])C[C@H]1CCCc2ccccc21 82583141 573108981 /nfs/dbraw/zinc/10/89/81/573108981.db2.gz ZGAGAYQBMMPBBL-ZYHUDNBSSA-N 1 0 189.302 2.844 10 0 AFAERO CC[NH2+][C@H]1[C@H]2CCCC[C@H]2[C@H]1CC 88185754 573109048 /nfs/dbraw/zinc/10/90/48/573109048.db2.gz QZQGCAPQRFHTFJ-NOOOWODRSA-N 1 0 181.323 2.811 10 0 AFAERO C[NH2+]C[C@H](Cc1ccoc1)CC(C)C 131902033 573109108 /nfs/dbraw/zinc/10/91/08/573109108.db2.gz VHBLRLUCRDKYJE-LBPRGKRZSA-N 1 0 195.306 2.704 10 0 AFAERO CCC[C@H]([NH3+])Cc1ccc(F)cc1F 50885973 573109119 /nfs/dbraw/zinc/10/91/19/573109119.db2.gz YOHZXAIXHDMKJR-JTQLQIEISA-N 1 0 199.244 2.635 10 0 AFAERO CC[NH2+][C@@H]1C[C@@H]2CCCCCC[C@@H]21 88185466 573109234 /nfs/dbraw/zinc/10/92/34/573109234.db2.gz RKPUHJIFMGYZPL-SDDRHHMPSA-N 1 0 181.323 2.955 10 0 AFAERO CC(C)[C@@H]([NH3+])CSC1CCCC1 77273893 573109316 /nfs/dbraw/zinc/10/93/16/573109316.db2.gz IYKWQGKPGDOGJD-JTQLQIEISA-N 1 0 187.352 2.646 10 0 AFAERO CC[NH2+][C@@H]1C[C@H]2CCCCCC[C@@H]21 88185462 573109328 /nfs/dbraw/zinc/10/93/28/573109328.db2.gz RKPUHJIFMGYZPL-GRYCIOLGSA-N 1 0 181.323 2.955 10 0 AFAERO CC[NH2+][C@@H]1C[C@@H]2CCCCC[C@@H]21 88185521 573109398 /nfs/dbraw/zinc/10/93/98/573109398.db2.gz MHQWCJICAMLUMR-GARJFASQSA-N 1 0 167.296 2.565 10 0 AFAERO C[C@H](F)CC[N@H+](C)[C@@H](C)C1(C)CC1 308263919 573109651 /nfs/dbraw/zinc/10/96/51/573109651.db2.gz OTKLFYBDBURKRR-UWVGGRQHSA-N 1 0 187.302 2.855 10 0 AFAERO C[NH2+]C1[C@H](C)C(c2ccccc2)[C@H]1C 88185820 573109763 /nfs/dbraw/zinc/10/97/63/573109763.db2.gz VOVRTQIBGYRZTN-ITSCGTHASA-N 1 0 189.302 2.644 10 0 AFAERO C[NH2+]C1[C@@H](C)C(c2ccccc2)[C@@H]1C 88185819 573109801 /nfs/dbraw/zinc/10/98/01/573109801.db2.gz VOVRTQIBGYRZTN-WPMGSTCASA-N 1 0 189.302 2.644 10 0 AFAERO C[C@H](c1ccncc1)[C@H]([NH3+])C(C)(C)C 85666025 573109933 /nfs/dbraw/zinc/10/99/33/573109933.db2.gz QFTWTMPQNGSWNK-KOLCDFICSA-N 1 0 192.306 2.559 10 0 AFAERO C[NH2+]C1[C@@H](C)C(c2cccs2)[C@@H]1C 88185899 573109979 /nfs/dbraw/zinc/10/99/79/573109979.db2.gz XIUSDRJGENTXRX-GHQHZXSUSA-N 1 0 195.331 2.706 10 0 AFAERO CCCC[C@H](C[C@H](C)OC)[NH2+]CC 128700047 573110064 /nfs/dbraw/zinc/11/00/64/573110064.db2.gz PWRNFAVSEIKVCR-WDEREUQCSA-N 1 0 187.327 2.580 10 0 AFAERO c1csc(C[NH2+][C@@H]2C[C@H]2C2CC2)c1 308262976 573110140 /nfs/dbraw/zinc/11/01/40/573110140.db2.gz NSDICDDNABOSIA-WDEREUQCSA-N 1 0 193.315 2.636 10 0 AFAERO C/C(=C/CC[NH3+])CCc1ccsc1 211649760 573110395 /nfs/dbraw/zinc/11/03/95/573110395.db2.gz DKMJTXQZFNEWRJ-KMKOMSMNSA-N 1 0 195.331 2.976 10 0 AFAERO CC[NH2+][C@H](C[C@@H](C)OC)C1CCCC1 128705864 573110314 /nfs/dbraw/zinc/11/03/14/573110314.db2.gz PMMYCSYAKSVORB-ZYHUDNBSSA-N 1 0 199.338 2.580 10 0 AFAERO C[C@H](F)CC[N@H+](C)[C@H](C)C1(C)CC1 308263921 573110315 /nfs/dbraw/zinc/11/03/15/573110315.db2.gz OTKLFYBDBURKRR-VHSXEESVSA-N 1 0 187.302 2.855 10 0 AFAERO CC[NH2+]C[C@@H](Cc1ccoc1)C(C)C 131908208 573110477 /nfs/dbraw/zinc/11/04/77/573110477.db2.gz HDJCIHXXENFYFJ-GFCCVEGCSA-N 1 0 195.306 2.704 10 0 AFAERO CC[C@H](C)[C@H]([NH3+])[C@@H](C)c1ccccn1 85667079 573110483 /nfs/dbraw/zinc/11/04/83/573110483.db2.gz XEAXKYMKQWBTGA-NHCYSSNCSA-N 1 0 192.306 2.559 10 0 AFAERO C[NH2+][C@H]1[C@H]2CCCCCC[C@H]2[C@H]1C 88185862 573110832 /nfs/dbraw/zinc/11/08/32/573110832.db2.gz HVCKEHUEFHOZCK-NOOOWODRSA-N 1 0 181.323 2.811 10 0 AFAERO C[C@H]1CCC[C@@]1(C[NH3+])c1ccccc1 77274782 573110927 /nfs/dbraw/zinc/11/09/27/573110927.db2.gz FLUHVMJRGJHAFA-AAEUAGOBSA-N 1 0 189.302 2.703 10 0 AFAERO Cc1cccc(C)c1C[NH2+]CCCF 131908713 573110960 /nfs/dbraw/zinc/11/09/60/573110960.db2.gz XQCROVILVXVIGY-UHFFFAOYSA-N 1 0 195.281 2.753 10 0 AFAERO c1csc(C[NH2+][C@@H]2C[C@@H]2C2CC2)c1 308262973 573110975 /nfs/dbraw/zinc/11/09/75/573110975.db2.gz NSDICDDNABOSIA-GHMZBOCLSA-N 1 0 193.315 2.636 10 0 AFAERO C[C@@H](c1ccncc1)[C@H]([NH3+])C(C)(C)C 85666024 573110980 /nfs/dbraw/zinc/11/09/80/573110980.db2.gz QFTWTMPQNGSWNK-ONGXEEELSA-N 1 0 192.306 2.559 10 0 AFAERO C[C@@H](c1ccncc1)[C@@H]([NH3+])C(C)(C)C 85666027 573111765 /nfs/dbraw/zinc/11/17/65/573111765.db2.gz QFTWTMPQNGSWNK-GXSJLCMTSA-N 1 0 192.306 2.559 10 0 AFAERO CCCC1(C2CC[NH2+]CC2)CCC1 686130957 573111383 /nfs/dbraw/zinc/11/13/83/573111383.db2.gz NMBKXEQSOFGJJN-UHFFFAOYSA-N 1 0 181.323 2.956 10 0 AFAERO Cc1ccc(C2[C@H](C)C([NH3+])[C@H]2C)cc1 88184979 573111438 /nfs/dbraw/zinc/11/14/38/573111438.db2.gz VGZZXHIFBUNETM-WPMGSTCASA-N 1 0 189.302 2.692 10 0 AFAERO C[C@H](F)CC[N@H+](C)[C@@H]1CC[C@@H](C)C1 308264091 573111448 /nfs/dbraw/zinc/11/14/48/573111448.db2.gz OYNCUVBXRZEYMT-OUAUKWLOSA-N 1 0 187.302 2.855 10 0 AFAERO C[C@H](c1ccncc1)[C@@H]([NH3+])C(C)(C)C 85666028 573111508 /nfs/dbraw/zinc/11/15/08/573111508.db2.gz QFTWTMPQNGSWNK-MWLCHTKSSA-N 1 0 192.306 2.559 10 0 AFAERO CC[NH2+][C@@H]1C[C@H]2CCCCC[C@@H]21 88185515 573111509 /nfs/dbraw/zinc/11/15/09/573111509.db2.gz MHQWCJICAMLUMR-OUAUKWLOSA-N 1 0 167.296 2.565 10 0 AFAERO CCCC[C@H]([NH3+])[C@@H](C)c1ccccn1 85666792 573111520 /nfs/dbraw/zinc/11/15/20/573111520.db2.gz XPTOKKCIIMUBGM-MNOVXSKESA-N 1 0 192.306 2.703 10 0 AFAERO C[C@@H]1[C@@H]([NH3+])C(C)(C)[C@@H]1c1cccs1 88185146 573111630 /nfs/dbraw/zinc/11/16/30/573111630.db2.gz LBEMVFWJEKNIPG-UJNFCWOMSA-N 1 0 195.331 2.835 10 0 AFAERO CC[C@@H]1[C@@H]2CCCCC[C@@H]2[C@@H]1[NH2+]C 88185688 573111763 /nfs/dbraw/zinc/11/17/63/573111763.db2.gz RKXKWQUWIXCDCX-NOOOWODRSA-N 1 0 181.323 2.811 10 0 AFAERO CC[NH2+][C@H](C[C@H](C)OC)C1CCCC1 128706324 573112380 /nfs/dbraw/zinc/11/23/80/573112380.db2.gz PMMYCSYAKSVORB-CMPLNLGQSA-N 1 0 199.338 2.580 10 0 AFAERO Cc1ccc(F)cc1NC1=[NH+]CCC1 88225401 573112358 /nfs/dbraw/zinc/11/23/58/573112358.db2.gz YKNDPFUYGJGNMJ-UHFFFAOYSA-N 1 0 192.237 2.738 10 0 AFAERO C[NH2+]C1[C@H](C)C(c2cccs2)[C@H]1C 88185902 573112028 /nfs/dbraw/zinc/11/20/28/573112028.db2.gz XIUSDRJGENTXRX-YJTAMFCSSA-N 1 0 195.331 2.706 10 0 AFAERO C[C@@H]1CCC[C@]1(C[NH3+])c1ccccc1 77274785 573112068 /nfs/dbraw/zinc/11/20/68/573112068.db2.gz FLUHVMJRGJHAFA-DGCLKSJQSA-N 1 0 189.302 2.703 10 0 AFAERO CCC[NH2+][C@@H]1C[C@@H]2CCCC[C@@H]21 88185570 573112101 /nfs/dbraw/zinc/11/21/01/573112101.db2.gz ONVRTTONTRUELT-GARJFASQSA-N 1 0 167.296 2.565 10 0 AFAERO CCCC[C@@H](C[C@@H](C)OC)[NH2+]CC 128699482 573112110 /nfs/dbraw/zinc/11/21/10/573112110.db2.gz PWRNFAVSEIKVCR-MNOVXSKESA-N 1 0 187.327 2.580 10 0 AFAERO CCCc1cccc2c1CC[C@@H]2[NH3+] 238287017 573112151 /nfs/dbraw/zinc/11/21/51/573112151.db2.gz BRMQFJUPWTXJIZ-LBPRGKRZSA-N 1 0 175.275 2.585 10 0 AFAERO C[C@@H]([NH3+])C[C@@H]1CCCc2ccccc21 82583139 573112266 /nfs/dbraw/zinc/11/22/66/573112266.db2.gz ZGAGAYQBMMPBBL-PWSUYJOCSA-N 1 0 189.302 2.844 10 0 AFAERO C[C@H]([NH3+])C[C@H]1CCCc2ccccc21 82583140 573112311 /nfs/dbraw/zinc/11/23/11/573112311.db2.gz ZGAGAYQBMMPBBL-CMPLNLGQSA-N 1 0 189.302 2.844 10 0 AFAERO CC1(C)C[C@]1(C)C[NH2+][C@@]12CCC[C@@H]1C2 717130748 573113166 /nfs/dbraw/zinc/11/31/66/573113166.db2.gz XQRCNQROIKLSMW-RAIGVLPGSA-N 1 0 193.334 2.955 10 0 AFAERO C[NH2+]Cc1cc2c(C)cccc2s1 257944863 573113340 /nfs/dbraw/zinc/11/33/40/573113340.db2.gz VZOZTAZFQGLXHC-UHFFFAOYSA-N 1 0 191.299 2.929 10 0 AFAERO CCc1ccc([C@]2(C)CCC[NH2+]2)cc1 85697947 573113605 /nfs/dbraw/zinc/11/36/05/573113605.db2.gz UHCSKPKFXXHLQJ-ZDUSSCGKSA-N 1 0 189.302 2.848 10 0 AFAERO CC[C@@H]([NH3+])c1cocc1C(F)(F)F 238286493 573113528 /nfs/dbraw/zinc/11/35/28/573113528.db2.gz UHRABIFTOJLQRG-SSDOTTSWSA-N 1 0 193.168 2.708 10 0 AFAERO C[C@H]([NH3+])c1ccc2cccccc1-2 142028933 573114033 /nfs/dbraw/zinc/11/40/33/573114033.db2.gz MABIXIYVZACDND-VIFPVBQESA-N 1 0 171.243 2.811 10 0 AFAERO CC[C@]1(c2ccsc2)CCC[NH2+]1 85698897 573114036 /nfs/dbraw/zinc/11/40/36/573114036.db2.gz YORRXHBKRBONQR-SNVBAGLBSA-N 1 0 181.304 2.737 10 0 AFAERO Cc1ccccc1C[C@@]1(C)CCC[NH2+]1 85698211 573114084 /nfs/dbraw/zinc/11/40/84/573114084.db2.gz UEJFWUPGESFTMW-CYBMUJFWSA-N 1 0 189.302 2.680 10 0 AFAERO CCC[NH2+]C[C@@H](CC)Cc1ccoc1 131911559 573114115 /nfs/dbraw/zinc/11/41/15/573114115.db2.gz ZKFIFGNVTXPOAT-NSHDSACASA-N 1 0 195.306 2.848 10 0 AFAERO CC[C@]1(C2CCCC2)CCC[NH2+]1 85699472 573114123 /nfs/dbraw/zinc/11/41/23/573114123.db2.gz ARCYXZHNJYQVQI-LLVKDONJSA-N 1 0 167.296 2.709 10 0 AFAERO C[NH2+][C@H](C)C[C@@H](F)c1ccccc1 257944541 573114126 /nfs/dbraw/zinc/11/41/26/573114126.db2.gz VMAOLQHNPKXIFG-MWLCHTKSSA-N 1 0 181.254 2.695 10 0 AFAERO [NH3+]C1(CCc2ccco2)CCCCC1 257943916 573114140 /nfs/dbraw/zinc/11/41/40/573114140.db2.gz IEACQCWIGDQMPD-UHFFFAOYSA-N 1 0 193.290 2.874 10 0 AFAERO C[NH2+][C@H](C)C[C@H](F)c1ccccc1 257944535 573114348 /nfs/dbraw/zinc/11/43/48/573114348.db2.gz VMAOLQHNPKXIFG-KOLCDFICSA-N 1 0 181.254 2.695 10 0 AFAERO CC[C@]1(c2ccc(C)cc2)CCC[NH2+]1 85698788 573114389 /nfs/dbraw/zinc/11/43/89/573114389.db2.gz WYXKOCHNHFMAPN-CYBMUJFWSA-N 1 0 189.302 2.984 10 0 AFAERO CC[C@H](C[NH2+]C1CC1)Cc1ccoc1 131912376 573114407 /nfs/dbraw/zinc/11/44/07/573114407.db2.gz AUAWKTUTOHJCEM-JTQLQIEISA-N 1 0 193.290 2.600 10 0 AFAERO C[C@@H]1CCC[C@@H]([C@]2(C)CCC[NH2+]2)C1 85698677 573114409 /nfs/dbraw/zinc/11/44/09/573114409.db2.gz SIKJAVLWBIEZPC-UTUOFQBUSA-N 1 0 181.323 2.955 10 0 AFAERO CC[C@@H]1[NH2+]C(OC)=Cc2ccccc21 238286642 573114439 /nfs/dbraw/zinc/11/44/39/573114439.db2.gz UOUZOCLJHGZYMR-NSHDSACASA-N 1 0 189.258 2.686 10 0 AFAERO CC[C@]1(CC2CCC2)CCC[NH2+]1 85699180 573114470 /nfs/dbraw/zinc/11/44/70/573114470.db2.gz LOXWVRMCQUHPEP-LLVKDONJSA-N 1 0 167.296 2.709 10 0 AFAERO CC1(C)C[C@]1(C)C[NH2+][C@]12CCC[C@H]1C2 717130753 573114476 /nfs/dbraw/zinc/11/44/76/573114476.db2.gz XQRCNQROIKLSMW-UHTWSYAYSA-N 1 0 193.334 2.955 10 0 AFAERO CC[C@@H]([NH3+])c1coc(C(F)(F)F)c1 238286297 573114868 /nfs/dbraw/zinc/11/48/68/573114868.db2.gz DHFMRIYDWOCPDM-ZCFIWIBFSA-N 1 0 193.168 2.708 10 0 AFAERO C[C@]1(CCc2cccs2)CCC[NH2+]1 85698270 573114587 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573120603 /nfs/dbraw/zinc/12/06/03/573120603.db2.gz SCKLXSXXYFFKAD-LLVKDONJSA-N 1 0 167.296 2.565 10 0 AFAERO C[C@H](F)c1cc(C(C)(C)[NH3+])ccc1O 257947671 573120626 /nfs/dbraw/zinc/12/06/26/573120626.db2.gz AMXPWHLEDMBYQL-ZETCQYMHSA-N 1 0 197.253 2.617 10 0 AFAERO CC(C)[C@]1(CC2CC2)CCC[NH2+]1 85702230 573120775 /nfs/dbraw/zinc/12/07/75/573120775.db2.gz PPFBSJFZFURZPC-LLVKDONJSA-N 1 0 167.296 2.565 10 0 AFAERO CC[C@@H]([NH3+])c1cc2c(F)cccc2[nH]1 238288744 573120822 /nfs/dbraw/zinc/12/08/22/573120822.db2.gz DUMXULLNCUSGSJ-SECBINFHSA-N 1 0 192.237 2.717 10 0 AFAERO CC[C@]1(Cc2ccsc2)CCC[NH2+]1 85699698 573120825 /nfs/dbraw/zinc/12/08/25/573120825.db2.gz ZFJAVTILOLNBEQ-LLVKDONJSA-N 1 0 195.331 2.823 10 0 AFAERO CC[Si](C)(C)[N@H+]1C=CCCC1 197992669 573121226 /nfs/dbraw/zinc/12/12/26/573121226.db2.gz AXYQJLXRHKRPSG-UHFFFAOYSA-N 1 0 169.344 2.821 10 0 AFAERO CCc1cc(CCC[NH3+])c(C)cc1F 257947719 573120923 /nfs/dbraw/zinc/12/09/23/573120923.db2.gz AOEXCWWTTLLWKT-UHFFFAOYSA-N 1 0 195.281 2.588 10 0 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CC[C@@H](C)[NH2+]CC(=O)[C@H](C)CC(C)C 308502258 573125928 /nfs/dbraw/zinc/12/59/28/573125928.db2.gz XBFHIYJQPPCHIR-GHMZBOCLSA-N 1 0 199.338 2.626 10 0 AFAERO C[C@@H]([NH3+])[C@@H](F)C1CCCCCC1 257949263 573125940 /nfs/dbraw/zinc/12/59/40/573125940.db2.gz VYIRDBITYSNEPL-PSASIEDQSA-N 1 0 173.275 2.642 10 0 AFAERO CCC[NH2+][C@@H](C)C[C@@H]1CC(C)(C)CO1 717152914 573126270 /nfs/dbraw/zinc/12/62/70/573126270.db2.gz XPXAAXQRJYOVNW-WDEREUQCSA-N 1 0 199.338 2.580 10 0 AFAERO CC(C)C(F)(F)CCC1([NH3+])CC1 257949385 573126338 /nfs/dbraw/zinc/12/63/38/573126338.db2.gz WBDQUWPTSGQXMW-UHFFFAOYSA-N 1 0 177.238 2.549 10 0 AFAERO CCC[NH2+][C@@H](C)C[C@H]1CC(C)(C)CO1 717152911 573126488 /nfs/dbraw/zinc/12/64/88/573126488.db2.gz XPXAAXQRJYOVNW-QWRGUYRKSA-N 1 0 199.338 2.580 10 0 AFAERO C[C@@H]1C[C@@H](/C=C\c2ccccc2)C[NH2+]1 308273155 573126506 /nfs/dbraw/zinc/12/65/06/573126506.db2.gz GKRUYIFGRSXOIQ-FZJVHEGESA-N 1 0 187.286 2.698 10 0 AFAERO CC(C)(C)[C@H](F)C[C@H]1CCC[NH2+]1 257950580 573126557 /nfs/dbraw/zinc/12/65/57/573126557.db2.gz WEIUPZCXBZLWEQ-RKDXNWHRSA-N 1 0 173.275 2.513 10 0 AFAERO Cc1cc(F)cc(N2CCCC2=[NH2+])c1 85731487 573126587 /nfs/dbraw/zinc/12/65/87/573126587.db2.gz GBORRTKKNFQMTO-UHFFFAOYSA-N 1 0 192.237 2.712 10 0 AFAERO CCC[C@H](CC)C[C@H](C)[NH3+] 104652283 573126687 /nfs/dbraw/zinc/12/66/87/573126687.db2.gz GDYTVZNQUMTDDT-IUCAKERBSA-N 1 0 143.274 2.550 10 0 AFAERO CSc1ccc(C[C@H](C)[NH3+])c(C)c1 82617568 573126764 /nfs/dbraw/zinc/12/67/64/573126764.db2.gz JIIODRMIQASIAP-VIFPVBQESA-N 1 0 195.331 2.607 10 0 AFAERO Cc1ccoc1[C@@H](C)[NH2+]CC[C@H](C)F 393493451 573126777 /nfs/dbraw/zinc/12/67/77/573126777.db2.gz UXZZMUFZPQFAIE-VHSXEESVSA-N 1 0 199.269 2.987 10 0 AFAERO CCC(CC)[C@@H]([NH3+])C1(OC)CCCC1 128856857 573126825 /nfs/dbraw/zinc/12/68/25/573126825.db2.gz GCBNMCFTXNJIRF-LLVKDONJSA-N 1 0 199.338 2.709 10 0 AFAERO CSc1ccc(C[C@@H](C)[NH3+])cc1C 82617565 573126922 /nfs/dbraw/zinc/12/69/22/573126922.db2.gz DIPXMSSKSUKLDH-SECBINFHSA-N 1 0 195.331 2.607 10 0 AFAERO CC[C@H](C)C[C@@H]([NH3+])C[C@@H]1CCCCO1 128851027 573127243 /nfs/dbraw/zinc/12/72/43/573127243.db2.gz OGUNSJTXBGALKZ-TUAOUCFPSA-N 1 0 199.338 2.709 10 0 AFAERO CCc1cc(C)c(C)c([C@@H](C)[NH3+])c1 257949086 573127150 /nfs/dbraw/zinc/12/71/50/573127150.db2.gz FMVSNKACJMJOKF-SNVBAGLBSA-N 1 0 177.291 2.886 10 0 AFAERO CC(C)[C@]1(c2ccc(F)cc2)CC[NH2+]1 257951406 573127259 /nfs/dbraw/zinc/12/72/59/573127259.db2.gz CRPRFUQFXYSCGR-LBPRGKRZSA-N 1 0 193.265 2.670 10 0 AFAERO Cc1cc(C)c(C)c(/C=C/C[NH3+])c1 257950337 573127277 /nfs/dbraw/zinc/12/72/77/573127277.db2.gz FQMXWHVUIDJUMZ-SNAWJCMRSA-N 1 0 175.275 2.584 10 0 AFAERO CSc1ccc(C[C@H](C)[NH3+])cc1C 82617566 573127351 /nfs/dbraw/zinc/12/73/51/573127351.db2.gz DIPXMSSKSUKLDH-VIFPVBQESA-N 1 0 195.331 2.607 10 0 AFAERO [NH3+]C1CC(c2coc3ccccc23)C1 259335556 573127415 /nfs/dbraw/zinc/12/74/15/573127415.db2.gz SGRYJGSWUFWGQI-UHFFFAOYSA-N 1 0 187.242 2.638 10 0 AFAERO CC[C@H](C)[NH2+]CC(=O)[C@H](C)CC(C)C 308502260 573127479 /nfs/dbraw/zinc/12/74/79/573127479.db2.gz XBFHIYJQPPCHIR-MNOVXSKESA-N 1 0 199.338 2.626 10 0 AFAERO C[C@H]([NH2+]C1(C2CC2)CC1)C1CCC1 308277525 573127641 /nfs/dbraw/zinc/12/76/41/573127641.db2.gz VRPUJSHCDFELAO-VIFPVBQESA-N 1 0 179.307 2.707 10 0 AFAERO Cc1cc(SC(C)C)ccc1C[NH3+] 82616266 573127684 /nfs/dbraw/zinc/12/76/84/573127684.db2.gz FYRXJRNWMXJZLE-UHFFFAOYSA-N 1 0 195.331 2.954 10 0 AFAERO CC[C@H](C)C[C@H]([NH3+])C[C@@H]1CCCCO1 128850585 573127745 /nfs/dbraw/zinc/12/77/45/573127745.db2.gz OGUNSJTXBGALKZ-SRVKXCTJSA-N 1 0 199.338 2.709 10 0 AFAERO CCc1cc(C)c(C)c([C@H](C)[NH3+])c1 257949081 573127760 /nfs/dbraw/zinc/12/77/60/573127760.db2.gz FMVSNKACJMJOKF-JTQLQIEISA-N 1 0 177.291 2.886 10 0 AFAERO CCC[C@@H](CC)C[C@H](C)[NH3+] 104652278 573127906 /nfs/dbraw/zinc/12/79/06/573127906.db2.gz GDYTVZNQUMTDDT-DTWKUNHWSA-N 1 0 143.274 2.550 10 0 AFAERO CCC[C@H](C)C[C@@H]([NH3+])CCSC 162438941 573128109 /nfs/dbraw/zinc/12/81/09/573128109.db2.gz PYUZWFIJCYLHRZ-UWVGGRQHSA-N 1 0 189.368 2.893 10 0 AFAERO CCSc1ccc(C[NH3+])c(C)c1 82615864 573128113 /nfs/dbraw/zinc/12/81/13/573128113.db2.gz WYMHUWOCTNPSIJ-UHFFFAOYSA-N 1 0 181.304 2.566 10 0 AFAERO CCC[C@H](CC)C[C@@H](C)[NH3+] 104652276 573128345 /nfs/dbraw/zinc/12/83/45/573128345.db2.gz GDYTVZNQUMTDDT-BDAKNGLRSA-N 1 0 143.274 2.550 10 0 AFAERO CCC[C@](C)(C[NH2+]C)Cc1ccoc1 131971065 573128840 /nfs/dbraw/zinc/12/88/40/573128840.db2.gz JTXRRGCTJCOIDZ-LBPRGKRZSA-N 1 0 195.306 2.848 10 0 AFAERO CC[C@](C)(F)[C@H]([NH3+])c1ccccc1 238282456 573129189 /nfs/dbraw/zinc/12/91/89/573129189.db2.gz BUDRYSXQXUIOQO-MNOVXSKESA-N 1 0 181.254 2.825 10 0 AFAERO CCC(=[NH2+])Nc1cc(C)cc(F)c1 85732462 573129243 /nfs/dbraw/zinc/12/92/43/573129243.db2.gz PWROJUBLCSJDPB-UHFFFAOYSA-N 1 0 180.226 2.933 10 0 AFAERO C[C@@H](F)CC[N@H+](C)C1(C)CCCC1 308273349 573129308 /nfs/dbraw/zinc/12/93/08/573129308.db2.gz TXMJCVYBCAEEFY-SNVBAGLBSA-N 1 0 187.302 2.999 10 0 AFAERO CCC[C@@H](CC1([NH3+])CC1)C(F)F 257950460 573129318 /nfs/dbraw/zinc/12/93/18/573129318.db2.gz WCDQKXXDYGDQLX-ZETCQYMHSA-N 1 0 177.238 2.549 10 0 AFAERO CCCc1[nH+]cc2ccc(Cl)cn12 257949304 573129581 /nfs/dbraw/zinc/12/95/81/573129581.db2.gz KXCXEPRANCQDHX-UHFFFAOYSA-N 1 0 194.665 2.940 10 0 AFAERO C[C@@H]([NH2+]C1(C2CC2)CC1)C1CCC1 308277522 573129587 /nfs/dbraw/zinc/12/95/87/573129587.db2.gz VRPUJSHCDFELAO-SECBINFHSA-N 1 0 179.307 2.707 10 0 AFAERO CC[C@@]12CC[C@@H](C[C@@H]1[NH3+])C2(C)C 238283149 573129750 /nfs/dbraw/zinc/12/97/50/573129750.db2.gz XOLUOIBOKPWLNB-ATZCPNFKSA-N 1 0 167.296 2.550 10 0 AFAERO Cc1cc(N)c2c(C)cc(F)cc2[nH+]1 85732124 573129756 /nfs/dbraw/zinc/12/97/56/573129756.db2.gz YYCWZDBBYLDETE-UHFFFAOYSA-N 1 0 190.221 2.573 10 0 AFAERO CCC1(CC[C@@H](C)[NH2+]C)CCC1 686134268 573129916 /nfs/dbraw/zinc/12/99/16/573129916.db2.gz UKRMWTPJZXVHOO-SNVBAGLBSA-N 1 0 169.312 2.955 10 0 AFAERO CSc1ccc(C[C@@H](C)[NH3+])c(C)c1 82617567 573130032 /nfs/dbraw/zinc/13/00/32/573130032.db2.gz JIIODRMIQASIAP-SECBINFHSA-N 1 0 195.331 2.607 10 0 AFAERO CC(C)(C)[C@@H](F)C[C@@H]1CCC[NH2+]1 257950576 573130045 /nfs/dbraw/zinc/13/00/45/573130045.db2.gz WEIUPZCXBZLWEQ-IUCAKERBSA-N 1 0 173.275 2.513 10 0 AFAERO CCCOC[C@@H]([NH3+])CCC1CCCC1 131962307 573130117 /nfs/dbraw/zinc/13/01/17/573130117.db2.gz WTYVYQKIBQPQKJ-LBPRGKRZSA-N 1 0 199.338 2.711 10 0 AFAERO Cc1cc(F)cc(NC(=[NH2+])C2CC2)c1 85732473 573130223 /nfs/dbraw/zinc/13/02/23/573130223.db2.gz CDKOCESUTSCKQB-UHFFFAOYSA-N 1 0 192.237 2.933 10 0 AFAERO C[C@H]([NH3+])[C@@H](F)C1CCCCCC1 257949267 573130230 /nfs/dbraw/zinc/13/02/30/573130230.db2.gz VYIRDBITYSNEPL-WCBMZHEXSA-N 1 0 173.275 2.642 10 0 AFAERO C[C@H]([NH3+])[C@H](F)C1CCCCCC1 257949270 573130316 /nfs/dbraw/zinc/13/03/16/573130316.db2.gz VYIRDBITYSNEPL-WPRPVWTQSA-N 1 0 173.275 2.642 10 0 AFAERO CCC[C@@](C)(C[NH2+]C)Cc1ccoc1 131971281 573130320 /nfs/dbraw/zinc/13/03/20/573130320.db2.gz JTXRRGCTJCOIDZ-GFCCVEGCSA-N 1 0 195.306 2.848 10 0 AFAERO C[C@H]1C[C@@H](/C=C\c2ccccc2)C[NH2+]1 308273156 573130374 /nfs/dbraw/zinc/13/03/74/573130374.db2.gz GKRUYIFGRSXOIQ-ZFVKQSTNSA-N 1 0 187.286 2.698 10 0 AFAERO C[C@@H]1C[NH2+][C@@H]1c1ccc(Cl)s1 259336439 573130391 /nfs/dbraw/zinc/13/03/91/573130391.db2.gz VALBNQVRQSZHPR-XRGYYRRGSA-N 1 0 187.695 2.682 10 0 AFAERO CC[C@](C)(F)[C@@H]([NH3+])c1ccccc1 238282420 573130406 /nfs/dbraw/zinc/13/04/06/573130406.db2.gz BUDRYSXQXUIOQO-QWRGUYRKSA-N 1 0 181.254 2.825 10 0 AFAERO CC[C@@H](C)[NH2+]CC(=O)[C@@H](C)CC(C)C 308502264 573130468 /nfs/dbraw/zinc/13/04/68/573130468.db2.gz XBFHIYJQPPCHIR-WDEREUQCSA-N 1 0 199.338 2.626 10 0 AFAERO C[NH2+]C[C@@H]1C[C@]1(C)Cc1ccsc1 689920039 573130538 /nfs/dbraw/zinc/13/05/38/573130538.db2.gz FADRKKFEWGOZDM-QWRGUYRKSA-N 1 0 195.331 2.536 10 0 AFAERO CCC1(CC[C@H](C)[NH2+]C)CCC1 686134266 573130543 /nfs/dbraw/zinc/13/05/43/573130543.db2.gz UKRMWTPJZXVHOO-JTQLQIEISA-N 1 0 169.312 2.955 10 0 AFAERO C[C@H](C[C@@H]1CCC[NH2+]1)C(C)(C)C 82628063 573130870 /nfs/dbraw/zinc/13/08/70/573130870.db2.gz DHOIATNQWMGTTK-ZJUUUORDSA-N 1 0 169.312 2.811 10 0 AFAERO C[C@H](F)CC[N@H+](C)C1(C)CCCC1 308273347 573130914 /nfs/dbraw/zinc/13/09/14/573130914.db2.gz TXMJCVYBCAEEFY-JTQLQIEISA-N 1 0 187.302 2.999 10 0 AFAERO Cc1ccoc1[C@H](C)[NH2+]CC[C@@H](C)F 393493453 573130923 /nfs/dbraw/zinc/13/09/23/573130923.db2.gz UXZZMUFZPQFAIE-ZJUUUORDSA-N 1 0 199.269 2.987 10 0 AFAERO C[NH2+][C@H]1C[C@H](C)c2c(F)ccc(F)c21 82618077 573130940 /nfs/dbraw/zinc/13/09/40/573130940.db2.gz NPQWYPFEEMWBCQ-RCOVLWMOSA-N 1 0 197.228 2.733 10 0 AFAERO CC[NH2+][C@H]1C[C@@H](C)c2ccc(F)cc21 82618271 573130951 /nfs/dbraw/zinc/13/09/51/573130951.db2.gz CHHWQDUMZYVOIT-PELKAZGASA-N 1 0 193.265 2.984 10 0 AFAERO CSC(=[NH2+])CCOc1ccccc1 258534069 573130973 /nfs/dbraw/zinc/13/09/73/573130973.db2.gz CZAPAPZTFFVOIG-UHFFFAOYSA-N 1 0 195.287 2.796 10 0 AFAERO CC[C@@H]1C[C@@H]([NH3+])c2cc(C)ccc21 82617942 573130976 /nfs/dbraw/zinc/13/09/76/573130976.db2.gz RXXPJXLOSBZZNX-BXKDBHETSA-N 1 0 175.275 2.892 10 0 AFAERO C[C@H]1C[NH2+][C@H]1c1ccc(Cl)s1 259336442 573131051 /nfs/dbraw/zinc/13/10/51/573131051.db2.gz VALBNQVRQSZHPR-YLWLKBPMSA-N 1 0 187.695 2.682 10 0 AFAERO CC[C@@H]1C[C@H]([NH3+])c2cc(C)ccc21 82617940 573131098 /nfs/dbraw/zinc/13/10/98/573131098.db2.gz RXXPJXLOSBZZNX-SKDRFNHKSA-N 1 0 175.275 2.892 10 0 AFAERO CCC[C@@](C)(F)C[C@H]1CCC[NH2+]1 257953395 573131115 /nfs/dbraw/zinc/13/11/15/573131115.db2.gz WKOGGOGOQLVIQQ-NXEZZACHSA-N 1 0 173.275 2.657 10 0 AFAERO CCC[C@H]1C[C@@H]([NH3+])c2ccccc21 82617923 573131154 /nfs/dbraw/zinc/13/11/54/573131154.db2.gz ISKYTAFMTRXPHW-JOYOIKCWSA-N 1 0 175.275 2.974 10 0 AFAERO C[NH2+]C[C@H]1C[C@@]1(C)Cc1ccsc1 689920034 573131403 /nfs/dbraw/zinc/13/14/03/573131403.db2.gz FADRKKFEWGOZDM-GHMZBOCLSA-N 1 0 195.331 2.536 10 0 AFAERO CC[C@H]1C[C@H]([NH3+])c2cc(OC)ccc21 82617909 573131745 /nfs/dbraw/zinc/13/17/45/573131745.db2.gz NIPIULCCHZOAHA-UFBFGSQYSA-N 1 0 191.274 2.592 10 0 AFAERO CCC(CC)[C@H]([NH3+])C1(OC)CCCC1 128856618 573131570 /nfs/dbraw/zinc/13/15/70/573131570.db2.gz GCBNMCFTXNJIRF-NSHDSACASA-N 1 0 199.338 2.709 10 0 AFAERO CC[NH2+][C@@H]1C[C@H](C)c2ccc(F)cc21 82618268 573131636 /nfs/dbraw/zinc/13/16/36/573131636.db2.gz CHHWQDUMZYVOIT-QPUJVOFHSA-N 1 0 193.265 2.984 10 0 AFAERO C[NH2+][C@@H]1C[C@@H](C)c2c(C)cccc21 82618094 573131757 /nfs/dbraw/zinc/13/17/57/573131757.db2.gz NZGCBBWGHODMKG-MWLCHTKSSA-N 1 0 175.275 2.763 10 0 AFAERO CC[NH2+][C@H]1C[C@H](C)c2c(F)cccc21 82618245 573131680 /nfs/dbraw/zinc/13/16/80/573131680.db2.gz LHORXRXFPRPQOK-KWQFWETISA-N 1 0 193.265 2.984 10 0 AFAERO CCC(CC)(C[NH2+]C)Cc1ccoc1 131978679 573131681 /nfs/dbraw/zinc/13/16/81/573131681.db2.gz CWERWOIWAPDWNS-UHFFFAOYSA-N 1 0 195.306 2.848 10 0 AFAERO C[NH2+][C@H]1C[C@H](C)c2c(C)cccc21 82618093 573132231 /nfs/dbraw/zinc/13/22/31/573132231.db2.gz NZGCBBWGHODMKG-ONGXEEELSA-N 1 0 175.275 2.763 10 0 AFAERO CC(=[NH2+])Nc1cc(C)cc(F)c1 85732471 573131771 /nfs/dbraw/zinc/13/17/71/573131771.db2.gz SNQFLKNLKKKIHN-UHFFFAOYSA-N 1 0 166.199 2.543 10 0 AFAERO C[C@H]1C[NH2+][C@@H]1c1ccc(Cl)s1 259336437 573131783 /nfs/dbraw/zinc/13/17/83/573131783.db2.gz VALBNQVRQSZHPR-XNCJUZBTSA-N 1 0 187.695 2.682 10 0 AFAERO C[NH2+]C[C@H]1C[C@]1(C)Cc1ccsc1 689920035 573131786 /nfs/dbraw/zinc/13/17/86/573131786.db2.gz FADRKKFEWGOZDM-MNOVXSKESA-N 1 0 195.331 2.536 10 0 AFAERO CC1(C[NH2+]C2CCC2)CCCC1 82619128 573131810 /nfs/dbraw/zinc/13/18/10/573131810.db2.gz GHPWPIHKIVDXFW-UHFFFAOYSA-N 1 0 167.296 2.709 10 0 AFAERO C[NH2+][C@@H]1C[C@H](C)c2c(C)cccc21 82618095 573131830 /nfs/dbraw/zinc/13/18/30/573131830.db2.gz NZGCBBWGHODMKG-GXSJLCMTSA-N 1 0 175.275 2.763 10 0 AFAERO C[NH2+][C@@H]1C[C@@H](C)c2c(F)cccc21 82618086 573131858 /nfs/dbraw/zinc/13/18/58/573131858.db2.gz LSYXNSNIQQDJAM-GMSGAONNSA-N 1 0 179.238 2.593 10 0 AFAERO CC[C@H]1C[C@@H]([NH3+])c2cc(OC)ccc21 82617911 573131886 /nfs/dbraw/zinc/13/18/86/573131886.db2.gz NIPIULCCHZOAHA-QPUJVOFHSA-N 1 0 191.274 2.592 10 0 AFAERO Cc1cc(SC(C)(C)[NH3+])ccc1F 259339271 573131946 /nfs/dbraw/zinc/13/19/46/573131946.db2.gz XPXHXVQRSKTRBB-UHFFFAOYSA-N 1 0 199.294 2.921 10 0 AFAERO CNc1cc[nH+]c2cc(F)cc(C)c12 85732105 573131968 /nfs/dbraw/zinc/13/19/68/573131968.db2.gz JYWYMHPCGUKSIQ-UHFFFAOYSA-N 1 0 190.221 2.724 10 0 AFAERO CC[C@H]1C[C@@H]([NH3+])c2cc(F)ccc21 82617887 573131979 /nfs/dbraw/zinc/13/19/79/573131979.db2.gz UYQXWEMSAGMWLE-WRWORJQWSA-N 1 0 179.238 2.723 10 0 AFAERO CC[NH2+]CSc1cc(C)ccc1C 259336433 573132034 /nfs/dbraw/zinc/13/20/34/573132034.db2.gz XOGZPOASVWKOPM-UHFFFAOYSA-N 1 0 195.331 2.963 10 0 AFAERO C[NH2+][C@H]1C[C@H](C)c2ccc(C)cc21 82618157 573132041 /nfs/dbraw/zinc/13/20/41/573132041.db2.gz VFPFKYVNNJRCNL-CABZTGNLSA-N 1 0 175.275 2.763 10 0 AFAERO CC[C@@H](C[NH2+]C)Sc1ccccc1 259339499 573132052 /nfs/dbraw/zinc/13/20/52/573132052.db2.gz XUBJSDWUEWOWAB-JTQLQIEISA-N 1 0 195.331 2.777 10 0 AFAERO CCC[C@@H]1C[C@@H]([NH3+])c2ccccc21 82617922 573132065 /nfs/dbraw/zinc/13/20/65/573132065.db2.gz ISKYTAFMTRXPHW-BXKDBHETSA-N 1 0 175.275 2.974 10 0 AFAERO CC[NH2+][C@H]1C[C@@H](C)Cc2ccccc21 82618255 573132126 /nfs/dbraw/zinc/13/21/26/573132126.db2.gz ZCQYIPYZXQJHKQ-GWCFXTLKSA-N 1 0 189.302 2.920 10 0 AFAERO C[C@@H](C[C@@H]1CCC[NH2+]1)C(C)(C)C 82628062 573132139 /nfs/dbraw/zinc/13/21/39/573132139.db2.gz DHOIATNQWMGTTK-UWVGGRQHSA-N 1 0 169.312 2.811 10 0 AFAERO CC(C)(F)CC[NH2+]CCCC(F)F 688734655 573132218 /nfs/dbraw/zinc/13/22/18/573132218.db2.gz NHIIGAWCGRQBQT-UHFFFAOYSA-N 1 0 197.244 2.760 10 0 AFAERO CC[NH2+][C@@H]1C[C@@H](C)c2c(F)cccc21 82618246 573132179 /nfs/dbraw/zinc/13/21/79/573132179.db2.gz LHORXRXFPRPQOK-LDYMZIIASA-N 1 0 193.265 2.984 10 0 AFAERO CC[C@@H]1C[C@@H]([NH2+]C)c2cc(F)ccc21 82618014 573132186 /nfs/dbraw/zinc/13/21/86/573132186.db2.gz JEVPBAUBIILCJF-PRHODGIISA-N 1 0 193.265 2.984 10 0 AFAERO C[NH2+][C@H]1C[C@@H](C)c2ccc(F)cc21 82618128 573132190 /nfs/dbraw/zinc/13/21/90/573132190.db2.gz QGHPEKNLEKGUSJ-HQJQHLMTSA-N 1 0 179.238 2.593 10 0 AFAERO C[NH2+][C@H]1C[C@@H](C)c2c(F)ccc(F)c21 82618076 573132277 /nfs/dbraw/zinc/13/22/77/573132277.db2.gz NPQWYPFEEMWBCQ-MUWHJKNJSA-N 1 0 197.228 2.733 10 0 AFAERO C[NH2+][C@H]1C[C@H](C)c2c(F)cccc21 82618085 573132288 /nfs/dbraw/zinc/13/22/88/573132288.db2.gz LSYXNSNIQQDJAM-XVKPBYJWSA-N 1 0 179.238 2.593 10 0 AFAERO C[C@@H](C[C@H]1CCC[NH2+]1)C(C)(C)C 82628064 573132334 /nfs/dbraw/zinc/13/23/34/573132334.db2.gz DHOIATNQWMGTTK-VHSXEESVSA-N 1 0 169.312 2.811 10 0 AFAERO [NH3+][C@H]1C[C@@H]2CCCCc3cccc1c32 82617913 573132356 /nfs/dbraw/zinc/13/23/56/573132356.db2.gz PAOYRVBSSVHAEI-JQWIXIFHSA-N 1 0 187.286 2.900 10 0 AFAERO CC[C@@H]1C[C@H]([NH2+]C)c2cc(F)ccc21 82618012 573132379 /nfs/dbraw/zinc/13/23/79/573132379.db2.gz JEVPBAUBIILCJF-PELKAZGASA-N 1 0 193.265 2.984 10 0 AFAERO C[NH2+][C@@H]1C[C@H](C)c2c(F)cccc21 82618087 573132415 /nfs/dbraw/zinc/13/24/15/573132415.db2.gz LSYXNSNIQQDJAM-OIBJUYFYSA-N 1 0 179.238 2.593 10 0 AFAERO CCC[C@](C)(F)C[C@@H]1CCC[NH2+]1 257953398 573132438 /nfs/dbraw/zinc/13/24/38/573132438.db2.gz WKOGGOGOQLVIQQ-UWVGGRQHSA-N 1 0 173.275 2.657 10 0 AFAERO CC[NH2+][C@@H]1C[C@@H](C)c2ccc(F)cc21 82618270 573132441 /nfs/dbraw/zinc/13/24/41/573132441.db2.gz CHHWQDUMZYVOIT-PRHODGIISA-N 1 0 193.265 2.984 10 0 AFAERO C[NH2+][C@H]1C[C@@H](C)c2c(F)cccc21 82618084 573132535 /nfs/dbraw/zinc/13/25/35/573132535.db2.gz LSYXNSNIQQDJAM-XCBNKYQSSA-N 1 0 179.238 2.593 10 0 AFAERO CCOc1ccc2c(c1)[C@H]([NH3+])C[C@H]2C 82617906 573132561 /nfs/dbraw/zinc/13/25/61/573132561.db2.gz YZLFFTXSNKRMMR-PRHODGIISA-N 1 0 191.274 2.592 10 0 AFAERO CC[C@H]1C[C@@H]([NH3+])c2ccccc21 82617883 573132621 /nfs/dbraw/zinc/13/26/21/573132621.db2.gz ASFVJFPJCIUQFN-GZMMTYOYSA-N 1 0 161.248 2.584 10 0 AFAERO C[NH2+][C@@H]1C[C@@H](C)c2ccc(C)cc21 82618158 573132640 /nfs/dbraw/zinc/13/26/40/573132640.db2.gz VFPFKYVNNJRCNL-BXKDBHETSA-N 1 0 175.275 2.763 10 0 AFAERO CC[NH2+][C@H]1C[C@H](C)Cc2ccccc21 82618253 573132702 /nfs/dbraw/zinc/13/27/02/573132702.db2.gz ZCQYIPYZXQJHKQ-MFKMUULPSA-N 1 0 189.302 2.920 10 0 AFAERO C[NH2+][C@@H]1C[C@H](C)c2c(F)cc(F)cc21 82618055 573132722 /nfs/dbraw/zinc/13/27/22/573132722.db2.gz ZFNYMLKMYALMMT-QUBYGPBYSA-N 1 0 197.228 2.733 10 0 AFAERO CCc1cccc(CC)c1[C@@H](C)[NH3+] 238299130 573132886 /nfs/dbraw/zinc/13/28/86/573132886.db2.gz XDWJLJOIQLRDKS-SECBINFHSA-N 1 0 177.291 2.831 10 0 AFAERO C[NH2+][C@@H]1C[C@@H](C)c2ccc(F)cc21 82618130 573132931 /nfs/dbraw/zinc/13/29/31/573132931.db2.gz QGHPEKNLEKGUSJ-RDDDGLTNSA-N 1 0 179.238 2.593 10 0 AFAERO CC[C@H]1C[C@H]([NH2+]C)c2cc(F)ccc21 82618013 573133026 /nfs/dbraw/zinc/13/30/26/573133026.db2.gz JEVPBAUBIILCJF-UFBFGSQYSA-N 1 0 193.265 2.984 10 0 AFAERO CC[C@@H]1C[C@H]([NH3+])c2cc(OC)ccc21 82617908 573133113 /nfs/dbraw/zinc/13/31/13/573133113.db2.gz NIPIULCCHZOAHA-PELKAZGASA-N 1 0 191.274 2.592 10 0 AFAERO CC[C@@H]1C[C@@H]([NH3+])c2cc(F)ccc21 82617886 573133149 /nfs/dbraw/zinc/13/31/49/573133149.db2.gz UYQXWEMSAGMWLE-RDDDGLTNSA-N 1 0 179.238 2.723 10 0 AFAERO [NH3+][C@H]1C[C@H]2CCCCc3cccc1c32 82617915 573133160 /nfs/dbraw/zinc/13/31/60/573133160.db2.gz PAOYRVBSSVHAEI-PWSUYJOCSA-N 1 0 187.286 2.900 10 0 AFAERO Cc1cccn2c(C3CC3)[nH+]cc12 258235267 573133211 /nfs/dbraw/zinc/13/32/11/573133211.db2.gz LRBDXDGZSJISJK-UHFFFAOYSA-N 1 0 172.231 2.520 10 0 AFAERO C[C@H]([NH2+]CCC1(C)CC1)C1(C)CC1 308278662 573133375 /nfs/dbraw/zinc/13/33/75/573133375.db2.gz WDOUPZULNGEYGI-JTQLQIEISA-N 1 0 181.323 2.955 10 0 AFAERO CCC[C@@](C)(F)C[C@@H]1CCC[NH2+]1 257953400 573133381 /nfs/dbraw/zinc/13/33/81/573133381.db2.gz WKOGGOGOQLVIQQ-VHSXEESVSA-N 1 0 173.275 2.657 10 0 AFAERO C[C@@H]1C[NH2+][C@H]1c1ccc(Cl)s1 259336434 573133408 /nfs/dbraw/zinc/13/34/08/573133408.db2.gz VALBNQVRQSZHPR-SVGQVSJJSA-N 1 0 187.695 2.682 10 0 AFAERO CC[C@H]1C[C@H]([NH3+])c2cc(F)ccc21 82617885 573133427 /nfs/dbraw/zinc/13/34/27/573133427.db2.gz UYQXWEMSAGMWLE-CPCISQLKSA-N 1 0 179.238 2.723 10 0 AFAERO CCOc1cccc2c1[C@@H](C)C[C@@H]2[NH3+] 82617933 573133483 /nfs/dbraw/zinc/13/34/83/573133483.db2.gz ZRNZBBWVZUIBOP-WPRPVWTQSA-N 1 0 191.274 2.592 10 0 AFAERO C[NH2+][C@H]1C[C@H](C)c2ccc(F)cc21 82618129 573133488 /nfs/dbraw/zinc/13/34/88/573133488.db2.gz QGHPEKNLEKGUSJ-CPCISQLKSA-N 1 0 179.238 2.593 10 0 AFAERO CC(C)c1cccc([C@H](C)C[NH3+])c1O 257951775 573133513 /nfs/dbraw/zinc/13/35/13/573133513.db2.gz BBUQYJYHRRGBIV-SECBINFHSA-N 1 0 193.290 2.578 10 0 AFAERO C[C@@H]([NH2+]CCC1(C)CC1)C1(C)CC1 308278663 573133527 /nfs/dbraw/zinc/13/35/27/573133527.db2.gz WDOUPZULNGEYGI-SNVBAGLBSA-N 1 0 181.323 2.955 10 0 AFAERO C[NH2+][C@H]1C[C@H](C)c2c(F)cc(F)cc21 82618053 573133532 /nfs/dbraw/zinc/13/35/32/573133532.db2.gz ZFNYMLKMYALMMT-WKEGUHRASA-N 1 0 197.228 2.733 10 0 AFAERO C[NH2+][C@@H]1C[C@@H](C)c2c(F)cc(F)cc21 82618054 573133545 /nfs/dbraw/zinc/13/35/45/573133545.db2.gz ZFNYMLKMYALMMT-LHLIQPBNSA-N 1 0 197.228 2.733 10 0 AFAERO CC(C)c1cccc([C@@H](C)C[NH3+])c1O 257951776 573133580 /nfs/dbraw/zinc/13/35/80/573133580.db2.gz BBUQYJYHRRGBIV-VIFPVBQESA-N 1 0 193.290 2.578 10 0 AFAERO CCc1cccc(CC)c1[C@H](C)[NH3+] 238299140 573133584 /nfs/dbraw/zinc/13/35/84/573133584.db2.gz XDWJLJOIQLRDKS-VIFPVBQESA-N 1 0 177.291 2.831 10 0 AFAERO CC[NH2+][C@H]1C[C@H](C)c2ccc(F)cc21 82618269 573133604 /nfs/dbraw/zinc/13/36/04/573133604.db2.gz CHHWQDUMZYVOIT-UFBFGSQYSA-N 1 0 193.265 2.984 10 0 AFAERO CC[C@@H](C)C[C@@H]([NH3+])C1(OC)CCCC1 128815956 573133628 /nfs/dbraw/zinc/13/36/28/573133628.db2.gz TZIDCCQFBWPDJA-GHMZBOCLSA-N 1 0 199.338 2.709 10 0 AFAERO C[C@H]1CCc2ccc(/C=C/C[NH3+])cc21 257951769 573133632 /nfs/dbraw/zinc/13/36/32/573133632.db2.gz BBMGOAKHTASARZ-PBKGFPTLSA-N 1 0 187.286 2.708 10 0 AFAERO CC[C@H]([NH3+])c1cc(C2(C)CCC2)no1 686134227 573133639 /nfs/dbraw/zinc/13/36/39/573133639.db2.gz VVMZUEVUCZZUIY-QMMMGPOBSA-N 1 0 194.278 2.526 10 0 AFAERO CC[C@@H]1C[C@@H]([NH3+])c2ccccc21 82617882 573133677 /nfs/dbraw/zinc/13/36/77/573133677.db2.gz ASFVJFPJCIUQFN-LDYMZIIASA-N 1 0 161.248 2.584 10 0 AFAERO C[NH2+][C@@H]1C[C@H](C)c2ccc(F)cc21 82618131 573133734 /nfs/dbraw/zinc/13/37/34/573133734.db2.gz QGHPEKNLEKGUSJ-WRWORJQWSA-N 1 0 179.238 2.593 10 0 AFAERO CC[NH2+][C@@H](CCOC(C)C)C1CCC1 308280110 573133756 /nfs/dbraw/zinc/13/37/56/573133756.db2.gz RCNSPNJDNYLXPS-LBPRGKRZSA-N 1 0 199.338 2.580 10 0 AFAERO CCC(=O)C(C)(C)[NH+]1CCCCCC1 85742565 573133758 /nfs/dbraw/zinc/13/37/58/573133758.db2.gz QFXJWMZNTLUQIX-UHFFFAOYSA-N 1 0 197.322 2.620 10 0 AFAERO CC(C)CC[NH2+][C@@H]1[C@H]2CCCC[C@H]21 308278655 573133762 /nfs/dbraw/zinc/13/37/62/573133762.db2.gz WDEBONTXWAYNRP-GDNZZTSVSA-N 1 0 181.323 2.811 10 0 AFAERO CC[C@@H]1C[C@H]([NH2+]C)c2ccccc21 82618008 573133763 /nfs/dbraw/zinc/13/37/63/573133763.db2.gz LZVQEUCEDFVSRF-SKDRFNHKSA-N 1 0 175.275 2.844 10 0 AFAERO CC[NH2+][C@H]1C[C@@H](C)c2c(F)cccc21 82618247 573133776 /nfs/dbraw/zinc/13/37/76/573133776.db2.gz LHORXRXFPRPQOK-KCJUWKMLSA-N 1 0 193.265 2.984 10 0 AFAERO CC[C@H]1C[C@H]([NH3+])c2cc(C)ccc21 82617941 573133808 /nfs/dbraw/zinc/13/38/08/573133808.db2.gz RXXPJXLOSBZZNX-CABZTGNLSA-N 1 0 175.275 2.892 10 0 AFAERO CCC[NH2+][C@H](CCC)C[C@H](C)OC 128815637 573133872 /nfs/dbraw/zinc/13/38/72/573133872.db2.gz IWTNGYBOYLFTRL-WDEREUQCSA-N 1 0 187.327 2.580 10 0 AFAERO C[C@H](C[C@H]1CCC[NH2+]1)C(C)(C)C 82628065 573133929 /nfs/dbraw/zinc/13/39/29/573133929.db2.gz DHOIATNQWMGTTK-NXEZZACHSA-N 1 0 169.312 2.811 10 0 AFAERO CC[C@H](C)C[C@H]([NH3+])C1(OC)CCCC1 128815719 573133941 /nfs/dbraw/zinc/13/39/41/573133941.db2.gz TZIDCCQFBWPDJA-QWRGUYRKSA-N 1 0 199.338 2.709 10 0 AFAERO C[NH2+][C@@H]1C[C@@H](C)c2c(F)ccc(F)c21 82618078 573133970 /nfs/dbraw/zinc/13/39/70/573133970.db2.gz NPQWYPFEEMWBCQ-HZGVNTEJSA-N 1 0 197.228 2.733 10 0 AFAERO CCC[C@H]1C[C@H]([NH3+])c2ccccc21 82617921 573133983 /nfs/dbraw/zinc/13/39/83/573133983.db2.gz ISKYTAFMTRXPHW-CABZTGNLSA-N 1 0 175.275 2.974 10 0 AFAERO C[NH2+][C@H]1C[C@@H](C)c2c(C)cccc21 82618092 573134032 /nfs/dbraw/zinc/13/40/32/573134032.db2.gz NZGCBBWGHODMKG-KOLCDFICSA-N 1 0 175.275 2.763 10 0 AFAERO CC[NH2+][C@@H]1C[C@H](C)c2c(F)cccc21 82618244 573134091 /nfs/dbraw/zinc/13/40/91/573134091.db2.gz LHORXRXFPRPQOK-GZMMTYOYSA-N 1 0 193.265 2.984 10 0 AFAERO CC[C@@H]1C[C@@H]([NH2+]C)c2ccccc21 82618010 573134182 /nfs/dbraw/zinc/13/41/82/573134182.db2.gz LZVQEUCEDFVSRF-BXKDBHETSA-N 1 0 175.275 2.844 10 0 AFAERO CC[C@@H]1C[C@@H]([NH3+])c2cc(OC)ccc21 82617910 573134161 /nfs/dbraw/zinc/13/41/61/573134161.db2.gz NIPIULCCHZOAHA-PRHODGIISA-N 1 0 191.274 2.592 10 0 AFAERO CC[C@H]1C[C@H]([NH3+])c2ccccc21 82617881 573134167 /nfs/dbraw/zinc/13/41/67/573134167.db2.gz ASFVJFPJCIUQFN-KWQFWETISA-N 1 0 161.248 2.584 10 0 AFAERO CC[C@@]12CC[NH2+][C@@H]1c1ccccc1C2 238284688 573134189 /nfs/dbraw/zinc/13/41/89/573134189.db2.gz BLNIDQMGBBKGNO-OLZOCXBDSA-N 1 0 187.286 2.674 10 0 AFAERO CCOc1cccc2c1[C@H](C)C[C@H]2[NH3+] 82617934 573134196 /nfs/dbraw/zinc/13/41/96/573134196.db2.gz ZRNZBBWVZUIBOP-PSASIEDQSA-N 1 0 191.274 2.592 10 0 AFAERO CC[NH2+][C@H](CCOC(C)C)C1CCC1 308280108 573134261 /nfs/dbraw/zinc/13/42/61/573134261.db2.gz RCNSPNJDNYLXPS-GFCCVEGCSA-N 1 0 199.338 2.580 10 0 AFAERO C/C(=C1\CCCC[C@H]1C)C1C[NH2+]C1 642852401 573134323 /nfs/dbraw/zinc/13/43/23/573134323.db2.gz UBADIMNPXRLNRP-IHHQEMEHSA-N 1 0 179.307 2.732 10 0 AFAERO CCOc1ccc2c(c1)[C@H]([NH3+])C[C@@H]2C 82617904 573134331 /nfs/dbraw/zinc/13/43/31/573134331.db2.gz YZLFFTXSNKRMMR-QPUJVOFHSA-N 1 0 191.274 2.592 10 0 AFAERO [NH3+][C@@H]1C[C@H]2CCCCc3cccc1c32 82617914 573134340 /nfs/dbraw/zinc/13/43/40/573134340.db2.gz PAOYRVBSSVHAEI-ZYHUDNBSSA-N 1 0 187.286 2.900 10 0 AFAERO CC[C@H](C[NH2+]C)Sc1ccccc1 259339502 573134377 /nfs/dbraw/zinc/13/43/77/573134377.db2.gz XUBJSDWUEWOWAB-SNVBAGLBSA-N 1 0 195.331 2.777 10 0 AFAERO CCC[C@](C)(F)C[C@H]1CCC[NH2+]1 257953403 573134448 /nfs/dbraw/zinc/13/44/48/573134448.db2.gz WKOGGOGOQLVIQQ-ZJUUUORDSA-N 1 0 173.275 2.657 10 0 AFAERO C[NH2+][C@H]1C[C@@H](C)c2ccc(C)cc21 82618159 573134479 /nfs/dbraw/zinc/13/44/79/573134479.db2.gz VFPFKYVNNJRCNL-SKDRFNHKSA-N 1 0 175.275 2.763 10 0 AFAERO CCOc1ccc2c(c1)[C@@H]([NH3+])C[C@H]2C 82617907 573134584 /nfs/dbraw/zinc/13/45/84/573134584.db2.gz YZLFFTXSNKRMMR-PELKAZGASA-N 1 0 191.274 2.592 10 0 AFAERO C[NH2+][C@@H]1C[C@H](C)c2ccc(C)cc21 82618156 573134599 /nfs/dbraw/zinc/13/45/99/573134599.db2.gz VFPFKYVNNJRCNL-JOYOIKCWSA-N 1 0 175.275 2.763 10 0 AFAERO CCOc1cccc2c1[C@@H](C)C[C@H]2[NH3+] 82617935 573134647 /nfs/dbraw/zinc/13/46/47/573134647.db2.gz ZRNZBBWVZUIBOP-WCBMZHEXSA-N 1 0 191.274 2.592 10 0 AFAERO CC(C)C[N@H+](C)[C@H](C)c1cscn1 308278671 573134704 /nfs/dbraw/zinc/13/47/04/573134704.db2.gz WDWMLBZHZWTBIE-SECBINFHSA-N 1 0 198.335 2.792 10 0 AFAERO CCSCC[NH2+]C12CCC(CC1)C2 308280614 573134720 /nfs/dbraw/zinc/13/47/20/573134720.db2.gz XNQWZNFGVWLNSB-UHFFFAOYSA-N 1 0 199.363 2.662 10 0 AFAERO CC[C@@H]1C[C@H]([NH3+])c2ccccc21 82617880 573134742 /nfs/dbraw/zinc/13/47/42/573134742.db2.gz ASFVJFPJCIUQFN-KCJUWKMLSA-N 1 0 161.248 2.584 10 0 AFAERO CC[C@H]1C[C@@H]([NH2+]C)c2cc(F)ccc21 82618015 573134775 /nfs/dbraw/zinc/13/47/75/573134775.db2.gz JEVPBAUBIILCJF-QPUJVOFHSA-N 1 0 193.265 2.984 10 0 AFAERO [NH3+][C@@H]1C[C@@H]2CCCCc3cccc1c32 82617912 573135301 /nfs/dbraw/zinc/13/53/01/573135301.db2.gz PAOYRVBSSVHAEI-CMPLNLGQSA-N 1 0 187.286 2.900 10 0 AFAERO CC[NH2+][C@@H]1C[C@H](C)Cc2ccccc21 82618252 573135415 /nfs/dbraw/zinc/13/54/15/573135415.db2.gz ZCQYIPYZXQJHKQ-ZWNOBZJWSA-N 1 0 189.302 2.920 10 0 AFAERO CC[C@H]1C[C@@H]([NH3+])c2cc(C)ccc21 82617943 573135420 /nfs/dbraw/zinc/13/54/20/573135420.db2.gz RXXPJXLOSBZZNX-JOYOIKCWSA-N 1 0 175.275 2.892 10 0 AFAERO C[NH2+][C@H]1C[C@@H](C)c2c(F)cc(F)cc21 82618052 573135434 /nfs/dbraw/zinc/13/54/34/573135434.db2.gz ZFNYMLKMYALMMT-LDWIPMOCSA-N 1 0 197.228 2.733 10 0 AFAERO [NH3+]CC/C=C1/CCCC[C@H]1C1CC1 642850427 573135485 /nfs/dbraw/zinc/13/54/85/573135485.db2.gz FBAQLZXLTINMLZ-DUWGPSABSA-N 1 0 179.307 2.862 10 0 AFAERO CC[NH2+][C@@H](COC)CC1=CCCCC1 128785103 573135577 /nfs/dbraw/zinc/13/55/77/573135577.db2.gz ZGICIAVUPXQZFH-GFCCVEGCSA-N 1 0 197.322 2.501 10 0 AFAERO CC(C)C[N@H+](C)[C@@H](C)c1cscn1 308278672 573135610 /nfs/dbraw/zinc/13/56/10/573135610.db2.gz WDWMLBZHZWTBIE-VIFPVBQESA-N 1 0 198.335 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181.254 2.825 10 0 AFAERO CC(C)([NH3+])c1nc(C2CCC2)cs1 259344691 573137426 /nfs/dbraw/zinc/13/74/26/573137426.db2.gz TUYNNXMEZXMHPX-UHFFFAOYSA-N 1 0 196.319 2.604 10 0 AFAERO CCCC(=O)C(C)(C)[NH+]1CCCCC1 85741026 573137462 /nfs/dbraw/zinc/13/74/62/573137462.db2.gz RFURCLUOCNVZQR-UHFFFAOYSA-N 1 0 197.322 2.620 10 0 AFAERO Cc1ccc2c(c1)CCC=C2[C@H](C)[NH3+] 257953435 573137474 /nfs/dbraw/zinc/13/74/74/573137474.db2.gz WLDLCFJZIJAIAT-JTQLQIEISA-N 1 0 187.286 2.672 10 0 AFAERO CC[NH2+]CC1(Cc2ccoc2)CCC1 132000889 573138995 /nfs/dbraw/zinc/13/89/95/573138995.db2.gz QNRNYJMBUQQNLU-UHFFFAOYSA-N 1 0 193.290 2.602 10 0 AFAERO CC[NH2+]C[C@@](C)(CC)Cc1ccoc1 131984634 573137968 /nfs/dbraw/zinc/13/79/68/573137968.db2.gz NXWBEXRPRSJABN-LBPRGKRZSA-N 1 0 195.306 2.848 10 0 AFAERO COC1([C@@H]([NH3+])CCC(C)C)CCCC1 128815049 573138018 /nfs/dbraw/zinc/13/80/18/573138018.db2.gz CVNRDWBOVJSIOI-NSHDSACASA-N 1 0 199.338 2.709 10 0 AFAERO Cc1cccc2occ(C(C)(C)[NH3+])c12 257955081 573138127 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MTBVANGGFPFBDP-VIFPVBQESA-N 1 0 183.201 2.570 10 0 AFAERO Cc1cc(C)c2occ(CC[NH3+])c2c1 82636263 573139314 /nfs/dbraw/zinc/13/93/14/573139314.db2.gz QZWKWJGYRDCONS-UHFFFAOYSA-N 1 0 189.258 2.551 10 0 AFAERO C1CCC([C@@H]2C[C@H]2[NH2+]CC2CC2)CC1 308507557 573139483 /nfs/dbraw/zinc/13/94/83/573139483.db2.gz JLCQXOLUYIPCIY-QWHCGFSZSA-N 1 0 193.334 2.955 10 0 AFAERO Cc1ccnc([C@H]([NH3+])C2CCCC2)c1 82643623 573139501 /nfs/dbraw/zinc/13/95/01/573139501.db2.gz KEQRGALXQASSMH-GFCCVEGCSA-N 1 0 190.290 2.580 10 0 AFAERO C[NH2+][C@H](c1cc(C)ccn1)C(C)(C)C 82643775 573139584 /nfs/dbraw/zinc/13/95/84/573139584.db2.gz KQRQGPIBUBVMIE-LLVKDONJSA-N 1 0 192.306 2.697 10 0 AFAERO CCC[C@H](C[NH3+])CCCC(F)F 688728985 573139605 /nfs/dbraw/zinc/13/96/05/573139605.db2.gz RSAPUOQBQYMTFP-QMMMGPOBSA-N 1 0 179.254 2.797 10 0 AFAERO CCCC[C@@H](C)Nc1ccc(N)cn1 50887061 573139620 /nfs/dbraw/zinc/13/96/20/573139620.db2.gz WZJVXXZPYILIRU-SECBINFHSA-N 1 0 193.294 2.654 10 0 AFAERO CC[C@@H](C[NH3+])CC(=O)[C@H](C)CC(C)C 308507688 573139688 /nfs/dbraw/zinc/13/96/88/573139688.db2.gz ZXRKRSLZGCSNPW-GHMZBOCLSA-N 1 0 199.338 2.613 10 0 AFAERO CC[C@H](C[NH3+])CC(=O)[C@@H](C)CC(C)C 308507690 573140003 /nfs/dbraw/zinc/14/00/03/573140003.db2.gz ZXRKRSLZGCSNPW-QWRGUYRKSA-N 1 0 199.338 2.613 10 0 AFAERO CCCC[C@H](C)Nc1ccc(N)cn1 50887062 573139957 /nfs/dbraw/zinc/13/99/57/573139957.db2.gz WZJVXXZPYILIRU-VIFPVBQESA-N 1 0 193.294 2.654 10 0 AFAERO CCC(CC)[C@@H]([NH3+])C[C@H]1CCCCO1 128907647 573139962 /nfs/dbraw/zinc/13/99/62/573139962.db2.gz VGQAHTAYBNFMBW-NEPJUHHUSA-N 1 0 199.338 2.709 10 0 AFAERO CCC(CC)[C@@H](C)[NH2+]C[C@H]1CCCO1 82632558 573140147 /nfs/dbraw/zinc/14/01/47/573140147.db2.gz IMKGUKWBWKURHK-ZYHUDNBSSA-N 1 0 199.338 2.580 10 0 AFAERO FC1(C[NH2+][C@H]2CC[C@H]2C2CC2)CCC1 308507620 573140079 /nfs/dbraw/zinc/14/00/79/573140079.db2.gz GTURAYAXGRPCAN-QWRGUYRKSA-N 1 0 197.297 2.657 10 0 AFAERO CC[C@@H]([NH3+])c1ccc(F)c2c1CCC2 238289311 573140059 /nfs/dbraw/zinc/14/00/59/573140059.db2.gz FDEMYBXGIBIFCF-GFCCVEGCSA-N 1 0 193.265 2.724 10 0 AFAERO Cc1ccc2oc(CCC[NH3+])cc2c1 82636266 573140215 /nfs/dbraw/zinc/14/02/15/573140215.db2.gz JVKPEDNSBOZTKS-UHFFFAOYSA-N 1 0 189.258 2.633 10 0 AFAERO CCCC[C@H](C)Nc1cc(N)cc[nH+]1 50887024 573140220 /nfs/dbraw/zinc/14/02/20/573140220.db2.gz QQFBVKCCAZJYOL-VIFPVBQESA-N 1 0 193.294 2.654 10 0 AFAERO CC[C@H]([NH3+])c1cc(C)c(C)s1 104662348 573140231 /nfs/dbraw/zinc/14/02/31/573140231.db2.gz ADPFCLZKZRHQRJ-QMMMGPOBSA-N 1 0 169.293 2.775 10 0 AFAERO C[C@@H](F)c1ccc(CCCC[NH3+])cc1 257955935 573140329 /nfs/dbraw/zinc/14/03/29/573140329.db2.gz BJFDSIPSXBYFCB-SNVBAGLBSA-N 1 0 195.281 2.999 10 0 AFAERO FC1(C[NH2+][C@@H]2CC[C@@H]2C2CC2)CCC1 308507618 573140386 /nfs/dbraw/zinc/14/03/86/573140386.db2.gz GTURAYAXGRPCAN-GHMZBOCLSA-N 1 0 197.297 2.657 10 0 AFAERO C1CCC([C@H]2C[C@H]2[NH2+]CC2CC2)CC1 308507552 573140393 /nfs/dbraw/zinc/14/03/93/573140393.db2.gz JLCQXOLUYIPCIY-CHWSQXEVSA-N 1 0 193.334 2.955 10 0 AFAERO CCC(CC)C/C=C/CC[NH3+] 128920615 573140406 /nfs/dbraw/zinc/14/04/06/573140406.db2.gz KHZFQTNRMHXWEA-AATRIKPKSA-N 1 0 155.285 2.718 10 0 AFAERO CC(C)/C=C\CC[NH2+]CC(C)C 211886986 573140409 /nfs/dbraw/zinc/14/04/09/573140409.db2.gz MAXHRGBLHKMNQQ-ALCCZGGFSA-N 1 0 169.312 2.834 10 0 AFAERO Cc1cccc(-c2ccc(C[NH3+])nc2)c1 82638306 573140462 /nfs/dbraw/zinc/14/04/62/573140462.db2.gz RKTGEICLPOWGEC-UHFFFAOYSA-N 1 0 198.269 2.516 10 0 AFAERO CC[C@H](C)C[C@@H]([NH3+])C1(OC)CCCC1 128816143 573140466 /nfs/dbraw/zinc/14/04/66/573140466.db2.gz TZIDCCQFBWPDJA-WDEREUQCSA-N 1 0 199.338 2.709 10 0 AFAERO CC[C@@H]1CCCC[C@H]1C(=O)CCC[NH3+] 168105320 573140470 /nfs/dbraw/zinc/14/04/70/573140470.db2.gz ICCAAKWXZXXWMH-GHMZBOCLSA-N 1 0 197.322 2.511 10 0 AFAERO C[C@H](C[NH3+])[C@H]1c2sccc2C[C@@H]1C 257738268 573140551 /nfs/dbraw/zinc/14/05/51/573140551.db2.gz DEIOESRJFRNHJW-XKSSXDPKSA-N 1 0 195.331 2.619 10 0 AFAERO CCC[NH2+][C@@H](C=C(C)C)C[C@@H](C)OC 128832075 573140614 /nfs/dbraw/zinc/14/06/14/573140614.db2.gz NTVCPYCZNNSNNV-NEPJUHHUSA-N 1 0 199.338 2.746 10 0 AFAERO CCC[NH2+][C@H](CC1CC1)C[C@@H](C)OC 128819598 573140656 /nfs/dbraw/zinc/14/06/56/573140656.db2.gz NBGMBZUTLNLRGN-PWSUYJOCSA-N 1 0 199.338 2.580 10 0 AFAERO CCC[NH2+][C@H](C=C(C)C)C[C@H](C)OC 128832266 573140715 /nfs/dbraw/zinc/14/07/15/573140715.db2.gz NTVCPYCZNNSNNV-NWDGAFQWSA-N 1 0 199.338 2.746 10 0 AFAERO CCSCC[NH+]1CC2(CCCC2)C1 308281796 573140811 /nfs/dbraw/zinc/14/08/11/573140811.db2.gz YCJCVEKPQNOKEW-UHFFFAOYSA-N 1 0 199.363 2.616 10 0 AFAERO C[C@H](F)c1ccc(CCCC[NH3+])cc1 257955934 573140820 /nfs/dbraw/zinc/14/08/20/573140820.db2.gz BJFDSIPSXBYFCB-JTQLQIEISA-N 1 0 195.281 2.999 10 0 AFAERO C[C@H]([NH3+])c1cccc(-c2ccc[nH]2)c1 235489111 573140831 /nfs/dbraw/zinc/14/08/31/573140831.db2.gz AIPHRCYEIPBBQY-VIFPVBQESA-N 1 0 186.258 2.701 10 0 AFAERO CC[C@@H](C[NH3+])CC(=O)[C@@H](C)CC(C)C 308507691 573140959 /nfs/dbraw/zinc/14/09/59/573140959.db2.gz ZXRKRSLZGCSNPW-WDEREUQCSA-N 1 0 199.338 2.613 10 0 AFAERO CC[NH2+]Cc1cc2c(C)cccc2o1 257956852 573140969 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199.294 2.610 10 0 AFAERO C[C@H](C[NH3+])[C@@H]1c2ccoc2CC[C@H]1C 257738276 573141383 /nfs/dbraw/zinc/14/13/83/573141383.db2.gz DEMIQLZMHPKGBY-KBVBSXBZSA-N 1 0 193.290 2.540 10 0 AFAERO CCC[C@H]([NH2+]CC)C1(OC)CCCC1 128914658 573141400 /nfs/dbraw/zinc/14/14/00/573141400.db2.gz VILIDKFVODZFHJ-NSHDSACASA-N 1 0 199.338 2.724 10 0 AFAERO CCC(CC)[C@@H]([NH3+])C[C@@H]1CCCCO1 128907193 573141450 /nfs/dbraw/zinc/14/14/50/573141450.db2.gz VGQAHTAYBNFMBW-RYUDHWBXSA-N 1 0 199.338 2.709 10 0 AFAERO CCC(CC)[C@H]([NH3+])C[C@H]1CCCCO1 128907376 573141460 /nfs/dbraw/zinc/14/14/60/573141460.db2.gz VGQAHTAYBNFMBW-VXGBXAGGSA-N 1 0 199.338 2.709 10 0 AFAERO CCCC[C@H](C)Nc1cc[nH+]cc1N 50887078 573141478 /nfs/dbraw/zinc/14/14/78/573141478.db2.gz CKCSXBKBZKYLBL-VIFPVBQESA-N 1 0 193.294 2.654 10 0 AFAERO C1CC[C@@H]2[C@H](C1)C[C@@H]1[NH2+]CCC[C@@H]12 257738159 573141499 /nfs/dbraw/zinc/14/14/99/573141499.db2.gz BVAYQDRVYAMBTC-KKOKHZNYSA-N 1 0 179.307 2.565 10 0 AFAERO Cc1cc(C)cc(C(C)(C)CC[NH3+])c1 82636701 573141550 /nfs/dbraw/zinc/14/15/50/573141550.db2.gz BKWLERRZUOOQJQ-UHFFFAOYSA-N 1 0 191.318 2.930 10 0 AFAERO CCCC[C@H](C[C@@H]1CCCCO1)[NH2+]C 128945185 573142436 /nfs/dbraw/zinc/14/24/36/573142436.db2.gz LSPRSDAEJQWAGO-NEPJUHHUSA-N 1 0 199.338 2.724 10 0 AFAERO CCCC[C@@H](C)Nc1ncccc1N 50887033 573141651 /nfs/dbraw/zinc/14/16/51/573141651.db2.gz DSNQRTZPIJUTSK-SECBINFHSA-N 1 0 193.294 2.654 10 0 AFAERO C[NH2+][C@@H](C[C@@H]1CCCCO1)C(C)(C)C 128942438 573141677 /nfs/dbraw/zinc/14/16/77/573141677.db2.gz JKLVLFOZWSBBPS-QWRGUYRKSA-N 1 0 199.338 2.580 10 0 AFAERO CC(C)CC[C@@H]([NH3+])c1ncccc1F 128829356 573141725 /nfs/dbraw/zinc/14/17/25/573141725.db2.gz NWVSYGUWRXAZBP-SNVBAGLBSA-N 1 0 196.269 2.657 10 0 AFAERO CCc1c(F)ccc2c1CCC[C@@H]2[NH3+] 238299698 573141738 /nfs/dbraw/zinc/14/17/38/573141738.db2.gz STHZAXSDERQFMO-LBPRGKRZSA-N 1 0 193.265 2.724 10 0 AFAERO CCc1c[nH]c(C2CCCC2)n1 238299578 573141803 /nfs/dbraw/zinc/14/18/03/573141803.db2.gz JAHULCJJYFBNTO-UHFFFAOYSA-N 1 0 164.252 2.630 10 0 AFAERO CCCC[C@@H](C[C@H]1CCCCO1)[NH2+]C 128945408 573141861 /nfs/dbraw/zinc/14/18/61/573141861.db2.gz LSPRSDAEJQWAGO-NWDGAFQWSA-N 1 0 199.338 2.724 10 0 AFAERO C[NH2+][C@H](C[C@H]1CCCCO1)C(C)(C)C 128942677 573141878 /nfs/dbraw/zinc/14/18/78/573141878.db2.gz JKLVLFOZWSBBPS-GHMZBOCLSA-N 1 0 199.338 2.580 10 0 AFAERO CC[C@H](C)C(=O)C[C@@H]1CCCCC[NH2+]1 308507992 573141888 /nfs/dbraw/zinc/14/18/88/573141888.db2.gz ARIFYVGUKFEFGW-QWRGUYRKSA-N 1 0 197.322 2.524 10 0 AFAERO COCCC[C@H](C)[NH2+][C@H](C)C1(C)CC1 308502962 573141948 /nfs/dbraw/zinc/14/19/48/573141948.db2.gz HMWYWYWRQHTDIA-WDEREUQCSA-N 1 0 199.338 2.580 10 0 AFAERO C[NH2+][C@@H](c1cc(C)ccn1)C(C)(C)C 82643774 573141984 /nfs/dbraw/zinc/14/19/84/573141984.db2.gz KQRQGPIBUBVMIE-NSHDSACASA-N 1 0 192.306 2.697 10 0 AFAERO CSCC[NH2+]C1(C)CCCCC1 128929056 573142087 /nfs/dbraw/zinc/14/20/87/573142087.db2.gz FCPACFUKJDFYSK-UHFFFAOYSA-N 1 0 187.352 2.662 10 0 AFAERO C[NH2+][C@H](C[C@@H]1CCCCO1)C(C)(C)C 128942226 573142455 /nfs/dbraw/zinc/14/24/55/573142455.db2.gz JKLVLFOZWSBBPS-WDEREUQCSA-N 1 0 199.338 2.580 10 0 AFAERO CCCC[C@@H](C)Nc1cc[nH+]cc1N 50887077 573142584 /nfs/dbraw/zinc/14/25/84/573142584.db2.gz CKCSXBKBZKYLBL-SECBINFHSA-N 1 0 193.294 2.654 10 0 AFAERO CC(C)(C)C[C@]1(F)C[C@H]([NH3+])C1(C)C 642853310 573142338 /nfs/dbraw/zinc/14/23/38/573142338.db2.gz ZVRGWGCRTIXKOP-GZMMTYOYSA-N 1 0 187.302 2.888 10 0 AFAERO C[NH2+][C@@H](C[C@H]1CCCCO1)C(C)(C)C 128942910 573142471 /nfs/dbraw/zinc/14/24/71/573142471.db2.gz JKLVLFOZWSBBPS-MNOVXSKESA-N 1 0 199.338 2.580 10 0 AFAERO CCCC[C@H](C[C@H]1CCCCO1)[NH2+]C 128945643 573142403 /nfs/dbraw/zinc/14/24/03/573142403.db2.gz LSPRSDAEJQWAGO-VXGBXAGGSA-N 1 0 199.338 2.724 10 0 AFAERO CCCCC[C@H]([NH3+])C1(OC)CCCC1 128829907 573142413 /nfs/dbraw/zinc/14/24/13/573142413.db2.gz OVWSCKCIVKBPDI-NSHDSACASA-N 1 0 199.338 2.853 10 0 AFAERO C[C@H](C[NH3+])[C@H]1c2cocc2CC[C@@H]1C 257739149 573142493 /nfs/dbraw/zinc/14/24/93/573142493.db2.gz DTLIDJJKABLXMC-SBMIAAHKSA-N 1 0 193.290 2.540 10 0 AFAERO CCCC[C@H](C)Nc1ncccc1N 50887034 573142571 /nfs/dbraw/zinc/14/25/71/573142571.db2.gz DSNQRTZPIJUTSK-VIFPVBQESA-N 1 0 193.294 2.654 10 0 AFAERO CSc1ccc(F)c([C@@H](C)C[NH3+])c1 259340700 573142652 /nfs/dbraw/zinc/14/26/52/573142652.db2.gz HFPMKFUXUZQFBW-ZETCQYMHSA-N 1 0 199.294 2.610 10 0 AFAERO CCC(CC)C/C=C/CC[NH2+]C 128921092 573142682 /nfs/dbraw/zinc/14/26/82/573142682.db2.gz PRVLVXKJVUFKIS-VOTSOKGWSA-N 1 0 169.312 2.978 10 0 AFAERO C[C@H](C[NH3+])[C@H]1c2cocc2CC[C@H]1C 257739148 573142684 /nfs/dbraw/zinc/14/26/84/573142684.db2.gz DTLIDJJKABLXMC-LNLATYFQSA-N 1 0 193.290 2.540 10 0 AFAERO CC[C@H]1CCCC[C@H]1C(=O)CCC[NH3+] 168105429 573142702 /nfs/dbraw/zinc/14/27/02/573142702.db2.gz ICCAAKWXZXXWMH-WDEREUQCSA-N 1 0 197.322 2.511 10 0 AFAERO CCSCC[NH2+][C@H]1CC[C@@H](C)C1 128925094 573142812 /nfs/dbraw/zinc/14/28/12/573142812.db2.gz YYOXLCBPQWLGJC-ZJUUUORDSA-N 1 0 187.352 2.518 10 0 AFAERO CC[C@@H](C)C(=O)C[C@H]1CCCCC[NH2+]1 308507982 573143485 /nfs/dbraw/zinc/14/34/85/573143485.db2.gz ARIFYVGUKFEFGW-GHMZBOCLSA-N 1 0 197.322 2.524 10 0 AFAERO CCC[NH2+][C@@H](CC1CC1)C[C@@H](C)OC 128819408 573142979 /nfs/dbraw/zinc/14/29/79/573142979.db2.gz NBGMBZUTLNLRGN-ZYHUDNBSSA-N 1 0 199.338 2.580 10 0 AFAERO CCC(CC)[C@H]([NH3+])C[C@@H]1CCCCO1 128906944 573143019 /nfs/dbraw/zinc/14/30/19/573143019.db2.gz VGQAHTAYBNFMBW-NWDGAFQWSA-N 1 0 199.338 2.709 10 0 AFAERO CC[C@@H]1CCCC[C@@H]1SCC[NH3+] 82657844 573143057 /nfs/dbraw/zinc/14/30/57/573143057.db2.gz WVBWUXHCRPSSQN-ZJUUUORDSA-N 1 0 187.352 2.647 10 0 AFAERO CC[C@@H]([NH3+])c1cccc2c1CCCC2 238291008 573143066 /nfs/dbraw/zinc/14/30/66/573143066.db2.gz APSVOULVPIYYRU-CYBMUJFWSA-N 1 0 189.302 2.975 10 0 AFAERO CC[NH2+]C[C@H]1C[C@H]1C1(CC)CCC1 686134320 573143214 /nfs/dbraw/zinc/14/32/14/573143214.db2.gz QZICZUZLLNZUDU-GHMZBOCLSA-N 1 0 181.323 2.812 10 0 AFAERO C[C@H]1CCCC[C@@H](C)[C@]12CC[NH2+]C2 257738176 573143266 /nfs/dbraw/zinc/14/32/66/573143266.db2.gz CBMNFIUNQKHXTP-ZSBIGDGJSA-N 1 0 181.323 2.812 10 0 AFAERO C/C(=C\c1cc(F)ccc1C)[C@H](C)[NH3+] 235490121 573143370 /nfs/dbraw/zinc/14/33/70/573143370.db2.gz JOABXZFKRHYVHO-ZKXNXJMVSA-N 1 0 193.265 2.885 10 0 AFAERO C[C@H]([NH3+])c1ncccc1-c1ccccc1 259346339 573143390 /nfs/dbraw/zinc/14/33/90/573143390.db2.gz PIJPYOOAKRTPMF-JTQLQIEISA-N 1 0 198.269 2.768 10 0 AFAERO Cc1cc(S[C@@H](C)[NH3+])ccc1F 259344052 573144379 /nfs/dbraw/zinc/14/43/79/573144379.db2.gz YAEYTCMALHVCDM-ZETCQYMHSA-N 1 0 185.267 2.531 10 0 AFAERO CC[C@](C)(C[NH3+])CCCC(F)F 688729044 573143501 /nfs/dbraw/zinc/14/35/01/573143501.db2.gz RZENPBSMELJTBX-VIFPVBQESA-N 1 0 179.254 2.797 10 0 AFAERO CCC[NH2+][C@H](CC1CC1)C[C@H](C)OC 128820019 573143531 /nfs/dbraw/zinc/14/35/31/573143531.db2.gz NBGMBZUTLNLRGN-JQWIXIFHSA-N 1 0 199.338 2.580 10 0 AFAERO C[C@H](C[NH3+])[C@@H]1c2cocc2CC[C@@H]1C 257739150 573143567 /nfs/dbraw/zinc/14/35/67/573143567.db2.gz DTLIDJJKABLXMC-YGOYTEALSA-N 1 0 193.290 2.540 10 0 AFAERO CCC[C@@H]([NH2+]CC)C1(OC)CCCC1 128914885 573143723 /nfs/dbraw/zinc/14/37/23/573143723.db2.gz VILIDKFVODZFHJ-LLVKDONJSA-N 1 0 199.338 2.724 10 0 AFAERO Cc1cc(C)c([C@H](C)[C@H](C)[NH3+])c(F)c1 235493656 573143755 /nfs/dbraw/zinc/14/37/55/573143755.db2.gz WRQZSKSBTDGLAC-ZJUUUORDSA-N 1 0 195.281 2.893 10 0 AFAERO Cc1cc(C)c(CC[C@H](C)[NH3+])c(F)c1 235496868 573143808 /nfs/dbraw/zinc/14/38/08/573143808.db2.gz BQNRIBXSCXLWFA-JTQLQIEISA-N 1 0 195.281 2.722 10 0 AFAERO CCCC[C@@H](C[C@@H]1CCCCO1)[NH2+]C 128945019 573143833 /nfs/dbraw/zinc/14/38/33/573143833.db2.gz LSPRSDAEJQWAGO-RYUDHWBXSA-N 1 0 199.338 2.724 10 0 AFAERO CC(C)CC[C@H]([NH3+])c1ncccc1F 128829124 573143866 /nfs/dbraw/zinc/14/38/66/573143866.db2.gz NWVSYGUWRXAZBP-JTQLQIEISA-N 1 0 196.269 2.657 10 0 AFAERO CCC(CC)CC1(CC)C[NH2+]C1 128913332 573144035 /nfs/dbraw/zinc/14/40/35/573144035.db2.gz VYLAXLXDYDEHMS-UHFFFAOYSA-N 1 0 169.312 2.812 10 0 AFAERO Nc1nccc2ccc(C3CC3)cc12 123720861 573144046 /nfs/dbraw/zinc/14/40/46/573144046.db2.gz SDISNODSHFXBRR-UHFFFAOYSA-N 1 0 184.242 2.694 10 0 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/nfs/dbraw/zinc/14/43/23/573144323.db2.gz WNZZBRDGOQQSKF-MXWKQRLJSA-N 1 0 169.312 2.811 10 0 AFAERO CCCCC[C@@H]([NH3+])C1(OC)CCCC1 128830160 573144422 /nfs/dbraw/zinc/14/44/22/573144422.db2.gz OVWSCKCIVKBPDI-LLVKDONJSA-N 1 0 199.338 2.853 10 0 AFAERO CC[C@@H](C)C(=O)C[C@@H]1CCCCC[NH2+]1 308507987 573144445 /nfs/dbraw/zinc/14/44/45/573144445.db2.gz ARIFYVGUKFEFGW-MNOVXSKESA-N 1 0 197.322 2.524 10 0 AFAERO CC[C@@]1(C)OC2(CCCCC2)[NH2+][C@@H]1C 238291095 573144467 /nfs/dbraw/zinc/14/44/67/573144467.db2.gz LVWWKRXBQXEJQA-GHMZBOCLSA-N 1 0 197.322 2.824 10 0 AFAERO CC[C@@H]1CCCC[C@@H]1[C@@H](C)[NH3+] 82658428 573144477 /nfs/dbraw/zinc/14/44/77/573144477.db2.gz HJLDYHPATABBRZ-OPRDCNLKSA-N 1 0 155.285 2.550 10 0 AFAERO CC[C@@H]1CCCC[C@H]1[C@H]([NH3+])C1CC1 82658442 573144531 /nfs/dbraw/zinc/14/45/31/573144531.db2.gz CLBJORZHHZLNIH-YUSALJHKSA-N 1 0 181.323 2.940 10 0 AFAERO C1CCC(CC[NH2+][C@@H]2CC[C@H]3C[C@H]32)C1 308503433 573144532 /nfs/dbraw/zinc/14/45/32/573144532.db2.gz XSAJIIWBIZLRMR-YNEHKIRRSA-N 1 0 193.334 2.955 10 0 AFAERO C1C[NH2+][C@H]2C[C@H]3CCCC[C@H]3[C@@H]2C1 257738162 573144607 /nfs/dbraw/zinc/14/46/07/573144607.db2.gz BVAYQDRVYAMBTC-WYUUTHIRSA-N 1 0 179.307 2.565 10 0 AFAERO C[C@H](C[NH3+])[C@@H]1c2occc2CC[C@H]1C 257738285 573144627 /nfs/dbraw/zinc/14/46/27/573144627.db2.gz DGCNTKQSUMICQD-FXPVBKGRSA-N 1 0 193.290 2.540 10 0 AFAERO C[C@H](C[NH3+])[C@H]1c2ccoc2CC[C@H]1C 257738278 573144941 /nfs/dbraw/zinc/14/49/41/573144941.db2.gz DEMIQLZMHPKGBY-LNLATYFQSA-N 1 0 193.290 2.540 10 0 AFAERO C[C@H](C[NH3+])[C@H]1c2occc2CC[C@H]1C 257738287 573144863 /nfs/dbraw/zinc/14/48/63/573144863.db2.gz DGCNTKQSUMICQD-KKZNHRDASA-N 1 0 193.290 2.540 10 0 AFAERO CCC[NH2+][C@@H](C=C(C)C)C[C@H](C)OC 128832473 573144885 /nfs/dbraw/zinc/14/48/85/573144885.db2.gz NTVCPYCZNNSNNV-RYUDHWBXSA-N 1 0 199.338 2.746 10 0 AFAERO CCC[NH2+][C@@H](CC1CC1)C[C@H](C)OC 128819848 573145038 /nfs/dbraw/zinc/14/50/38/573145038.db2.gz NBGMBZUTLNLRGN-CMPLNLGQSA-N 1 0 199.338 2.580 10 0 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235493657 573145405 /nfs/dbraw/zinc/14/54/05/573145405.db2.gz WRQZSKSBTDGLAC-UWVGGRQHSA-N 1 0 195.281 2.893 10 0 AFAERO C[C@H](C[NH3+])[C@@H]1c2sccc2C[C@@H]1C 257738267 573145477 /nfs/dbraw/zinc/14/54/77/573145477.db2.gz DEIOESRJFRNHJW-QXFUBDJGSA-N 1 0 195.331 2.619 10 0 AFAERO CC[NH2+]C[C@@H]1C[C@@H]1C1(CC)CCC1 686134323 573145644 /nfs/dbraw/zinc/14/56/44/573145644.db2.gz QZICZUZLLNZUDU-QWRGUYRKSA-N 1 0 181.323 2.812 10 0 AFAERO CC[C@@H]([NH3+])c1ccc2c(c1C)CCC2 238290083 573145646 /nfs/dbraw/zinc/14/56/46/573145646.db2.gz RIMKSJVPGBWYAK-CYBMUJFWSA-N 1 0 189.302 2.894 10 0 AFAERO C1C[NH2+][C@@H]2[C@H](C1)CC[C@@H]1CCC[C@@H]12 257737361 573145715 /nfs/dbraw/zinc/14/57/15/573145715.db2.gz AGHZRUOUCRUEPG-WHOHXGKFSA-N 1 0 179.307 2.565 10 0 AFAERO C[C@H](C[NH3+])[C@@H]1c2sccc2C[C@H]1C 257738264 573145747 /nfs/dbraw/zinc/14/57/47/573145747.db2.gz DEIOESRJFRNHJW-NQMVMOMDSA-N 1 0 195.331 2.619 10 0 AFAERO CC[C@H]1CCCC[C@@H]1C(C)(C)[NH3+] 82658131 573145872 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/nfs/dbraw/zinc/14/75/54/573147554.db2.gz FWEWFWHSVOUPLA-SECBINFHSA-N 1 0 193.290 2.588 10 0 AFAERO CC[C@@H]1CCCC[C@@H]1C(C)(C)[NH3+] 82658130 573147702 /nfs/dbraw/zinc/14/77/02/573147702.db2.gz AJLOJZFOCUAEKA-ZJUUUORDSA-N 1 0 169.312 2.940 10 0 AFAERO CC[C@@H]1CCCC[C@@H]1[C@@H](C)[NH2+]C 82658492 573147774 /nfs/dbraw/zinc/14/77/74/573147774.db2.gz WNZZBRDGOQQSKF-GMTAPVOTSA-N 1 0 169.312 2.811 10 0 AFAERO CCc1occc1[C@@H]1CCCC[NH2+]1 104662995 573147801 /nfs/dbraw/zinc/14/78/01/573147801.db2.gz REERRAYOFCLSMP-JTQLQIEISA-N 1 0 179.263 2.657 10 0 AFAERO CC[C@H](C)C/C=C\CC[NH2+]CCOC 211889001 573147843 /nfs/dbraw/zinc/14/78/43/573147843.db2.gz YZBRCMIVGBZKTC-FJOGCWAESA-N 1 0 199.338 2.605 10 0 AFAERO C[C@@H](CF)[NH2+][C@H](C)c1cccc(F)c1 308503982 573147939 /nfs/dbraw/zinc/14/79/39/573147939.db2.gz CEGCBFSVNHJTKS-DTWKUNHWSA-N 1 0 199.244 2.834 10 0 AFAERO FC(F)CCC[NH2+]C/C=C/C1CC1 688755584 573147979 /nfs/dbraw/zinc/14/79/79/573147979.db2.gz LDEACRPDSFOIOF-HNQUOIGGSA-N 1 0 189.249 2.588 10 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2.634 10 0 AFAERO CC[C@@H](C)C/C=C\CC[NH2+]CCOC 211888927 573149450 /nfs/dbraw/zinc/14/94/50/573149450.db2.gz YZBRCMIVGBZKTC-FOQNGQEVSA-N 1 0 199.338 2.605 10 0 AFAERO C[C@H](CCC(F)(F)F)[NH2+]CC1CC1 308287942 573149495 /nfs/dbraw/zinc/14/94/95/573149495.db2.gz ZZYUGPDUYXGIMW-SSDOTTSWSA-N 1 0 195.228 2.717 10 0 AFAERO Cc1csc([C@H](C)[NH3+])c1Cl 104667942 573149623 /nfs/dbraw/zinc/14/96/23/573149623.db2.gz NBKIDUZEKCQECU-YFKPBYRVSA-N 1 0 175.684 2.730 10 0 AFAERO C/C=C\CC[NH2+]C1CC(C(F)F)C1 308288235 573149804 /nfs/dbraw/zinc/14/98/04/573149804.db2.gz FLEOTYFTXDBWHH-IHWYPQMZSA-N 1 0 189.249 2.586 10 0 AFAERO CC(C)C[C@H](C)C(=O)CCC[C@H](C)[NH3+] 308504289 573149863 /nfs/dbraw/zinc/14/98/63/573149863.db2.gz YCFSITOKJAUOOL-QWRGUYRKSA-N 1 0 199.338 2.755 10 0 AFAERO CC(C)(C)C[C@H]([NH3+])C1CCCC1 82674189 573149879 /nfs/dbraw/zinc/14/98/79/573149879.db2.gz HEHHQLJZYSLHQJ-JTQLQIEISA-N 1 0 169.312 2.940 10 0 AFAERO Cc1ccc([C@H]([NH3+])CC(C)(C)C)cn1 82673998 573150052 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2.718 10 0 AFAERO C[C@@H]1CC/C(=C\CC[NH3+])[C@H](C)C1 82862268 573244789 /nfs/dbraw/zinc/24/47/89/573244789.db2.gz PEBWBHGOGUKKGL-QSSOOFFUSA-N 1 0 167.296 2.718 10 0 AFAERO CC(C)=C[C@H]([NH3+])CSC1CCCC1 86056974 573244808 /nfs/dbraw/zinc/24/48/08/573244808.db2.gz IDDVBDNQZIEBIU-JTQLQIEISA-N 1 0 199.363 2.956 10 0 AFAERO C[C@H]1CC[C@@H](C)CC12CC[NH2+]CC2 82862208 573244854 /nfs/dbraw/zinc/24/48/54/573244854.db2.gz SQDNHODNONFJLU-MNOVXSKESA-N 1 0 181.323 2.812 10 0 AFAERO [NH3+]CC[C@H]1CCC[C@@H](C(F)(F)F)C1 82863161 573245402 /nfs/dbraw/zinc/24/54/02/573245402.db2.gz FMUBRHXLXLNWGL-HTQZYQBOSA-N 1 0 195.228 2.704 10 0 AFAERO CC(C)=C[C@H]([NH3+])c1ccc(F)cc1F 86055958 573244885 /nfs/dbraw/zinc/24/48/85/573244885.db2.gz YTELIZBJANSQAX-NSHDSACASA-N 1 0 197.228 2.931 10 0 AFAERO C[NH2+][C@H](C=C(C)C)c1cccc(C)n1 86056185 573244996 /nfs/dbraw/zinc/24/49/96/573244996.db2.gz OTAJLCUORYIMCK-GFCCVEGCSA-N 1 0 190.290 2.617 10 0 AFAERO CC(C)C[C@H](C)[C@H](C)CC[NH3+] 219579934 573245046 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2.757 10 0 AFAERO Cc1ccc(Cl)cc1C(C)(C)C[NH3+] 106874971 573322208 /nfs/dbraw/zinc/32/22/08/573322208.db2.gz ZDMDVVJFDPEEBL-UHFFFAOYSA-N 1 0 197.709 2.885 10 0 AFAERO C[C@@H]([NH2+]C1C(C)(C)C1(C)C)C1CC1 86239679 573322252 /nfs/dbraw/zinc/32/22/52/573322252.db2.gz SRRRVUPRPGAXNB-MRVPVSSYSA-N 1 0 181.323 2.809 10 0 AFAERO C[NH2+][C@H](COC(C)C)C1(C)CCCC1 132537169 573322263 /nfs/dbraw/zinc/32/22/63/573322263.db2.gz FASFKEQRCZYRAO-LLVKDONJSA-N 1 0 199.338 2.580 10 0 AFAERO Cc1cc(Cl)ccc1CC(C)(C)[NH3+] 106874960 573322271 /nfs/dbraw/zinc/32/22/71/573322271.db2.gz FKOYJWZOVPZOBU-UHFFFAOYSA-N 1 0 197.709 2.928 10 0 AFAERO C[NH2+]C/C(C)=C/c1c(F)cccc1F 86228553 573322308 /nfs/dbraw/zinc/32/23/08/573322308.db2.gz URCGTZFGGYHHRA-SOFGYWHQSA-N 1 0 197.228 2.588 10 0 AFAERO C[NH2+]C/C(C)=C/c1ccc(F)cc1F 86228566 573322313 /nfs/dbraw/zinc/32/23/13/573322313.db2.gz LJLOVHJAKDTEQN-VMPITWQZSA-N 1 0 197.228 2.588 10 0 AFAERO C[NH2+]C/C(C)=C/C1CCCCC1 86228549 573323526 /nfs/dbraw/zinc/32/35/26/573323526.db2.gz LDLJCVFIHUSBEI-CSKARUKUSA-N 1 0 167.296 2.732 10 0 AFAERO CCCC[C@]1(F)C[NH2+]C[C@H](C)C1 401865685 573323300 /nfs/dbraw/zinc/32/33/00/573323300.db2.gz HMPWGARJJBUZTE-NXEZZACHSA-N 1 0 173.275 2.514 10 0 AFAERO CC(C)c1ncc(C(C)(C)C[NH3+])s1 106876195 573323344 /nfs/dbraw/zinc/32/33/44/573323344.db2.gz QVLRYMAHHJLSTR-UHFFFAOYSA-N 1 0 198.335 2.503 10 0 AFAERO Cc1ccc(Cl)cc1CC(C)(C)[NH3+] 106874979 573323352 /nfs/dbraw/zinc/32/33/52/573323352.db2.gz TUALOCZFGYZXNW-UHFFFAOYSA-N 1 0 197.709 2.928 10 0 AFAERO Cc1ccc2c[nH+]c(C3CCC3)n2c1 258004270 573323573 /nfs/dbraw/zinc/32/35/73/573323573.db2.gz PRJQZOAUXGPNJO-UHFFFAOYSA-N 1 0 186.258 2.910 10 0 AFAERO Cc1cc(Cl)cc(CC(C)(C)[NH3+])c1 106875034 573323424 /nfs/dbraw/zinc/32/34/24/573323424.db2.gz GYAGRFBNJOUVEG-UHFFFAOYSA-N 1 0 197.709 2.928 10 0 AFAERO C[NH2+]C/C(C)=C/c1ccccc1Cl 86228499 573323445 /nfs/dbraw/zinc/32/34/45/573323445.db2.gz DRJANBRCXFBYJZ-VQHVLOKHSA-N 1 0 195.693 2.963 10 0 AFAERO CSc1ccc([C@H](C)C[NH3+])c(C)c1 258003817 573323453 /nfs/dbraw/zinc/32/34/53/573323453.db2.gz GSUXCYFTDCLIKX-SECBINFHSA-N 1 0 195.331 2.779 10 0 AFAERO C[C@H](C1CC1)[C@H]([NH3+])C1CCCC1 74334939 573323463 /nfs/dbraw/zinc/32/34/63/573323463.db2.gz WGSDJUDEEXDSML-KCJUWKMLSA-N 1 0 167.296 2.550 10 0 AFAERO C[NH2+]C/C(C)=C/c1cc(C)sc1C 86228603 573323575 /nfs/dbraw/zinc/32/35/75/573323575.db2.gz UPDXOUDNBUTDQQ-VMPITWQZSA-N 1 0 195.331 2.988 10 0 AFAERO Cc1cc(/C=C\C[NH3+])c2ccccc2n1 211803116 573327763 /nfs/dbraw/zinc/32/77/63/573327763.db2.gz WKUQZFIUGRXHMY-PLNGDYQASA-N 1 0 198.269 2.515 10 0 AFAERO CCCC(=[NH2+])NC1C(C)(C)C1(C)C 86241362 573327218 /nfs/dbraw/zinc/32/72/18/573327218.db2.gz MZRIPZGTEZYTSB-UHFFFAOYSA-N 1 0 182.311 2.788 10 0 AFAERO CC[NH2+]C[C@@H]1CCC[C@@H](CC(C)C)O1 308550126 573327222 /nfs/dbraw/zinc/32/72/22/573327222.db2.gz RILPGVUDBHQEAV-RYUDHWBXSA-N 1 0 199.338 2.580 10 0 AFAERO C[C@@H](CCCC1CCC1)C1C[NH2+]C1 686253090 573327304 /nfs/dbraw/zinc/32/73/04/573327304.db2.gz HXLAHYYXKHFMCM-JTQLQIEISA-N 1 0 181.323 2.812 10 0 AFAERO Fc1cccc([C@H]2CC[NH2+]C2)c1Cl 106877423 573327555 /nfs/dbraw/zinc/32/75/55/573327555.db2.gz OZIWSCZWPSZRCI-ZETCQYMHSA-N 1 0 199.656 2.556 10 0 AFAERO CC[C@H]1CC(C)(C)CC[C@@H]1[NH3+] 74342631 573327573 /nfs/dbraw/zinc/32/75/73/573327573.db2.gz RQEPDTNKUYLDPG-IUCAKERBSA-N 1 0 155.285 2.550 10 0 AFAERO CC[C@H](C)[C@H]([NH3+])CC(C)(C)C 74342209 573327591 /nfs/dbraw/zinc/32/75/91/573327591.db2.gz IKKYMXKWHSECRV-DTWKUNHWSA-N 1 0 157.301 2.796 10 0 AFAERO CC(C)[C@@H]([NH3+])c1ccc(Cl)c(O)c1 106877664 573330785 /nfs/dbraw/zinc/33/07/85/573330785.db2.gz LAZPCOIBAVWPNW-SNVBAGLBSA-N 1 0 199.681 2.701 10 0 AFAERO C[NH2+]C/C=C/c1cc(Cl)ccc1F 106877454 573330798 /nfs/dbraw/zinc/33/07/98/573330798.db2.gz ZIFIUOGDOWMREN-NSCUHMNNSA-N 1 0 199.656 2.712 10 0 AFAERO CCCC1([C@@H]([NH3+])Cc2ccco2)CC1 308549404 573330843 /nfs/dbraw/zinc/33/08/43/573330843.db2.gz RAMXGHNGHZTTIT-NSHDSACASA-N 1 0 193.290 2.730 10 0 AFAERO C[C@@H]1C[C@H](C[C@H]2CCCSC2)C[NH2+]1 258002856 573330941 /nfs/dbraw/zinc/33/09/41/573330941.db2.gz AMISERHOHQHPEJ-GMTAPVOTSA-N 1 0 199.363 2.518 10 0 AFAERO CC[NH2+]C[C@H]1CCC[C@H](CC(C)C)O1 308550127 573330563 /nfs/dbraw/zinc/33/05/63/573330563.db2.gz RILPGVUDBHQEAV-VXGBXAGGSA-N 1 0 199.338 2.580 10 0 AFAERO CC[C@@H]1CC(C)(C)CC[C@@H]1[NH3+] 74342630 573330602 /nfs/dbraw/zinc/33/06/02/573330602.db2.gz RQEPDTNKUYLDPG-BDAKNGLRSA-N 1 0 155.285 2.550 10 0 AFAERO CC[NH2+]Cc1coc2cccc(F)c12 258631041 573330638 /nfs/dbraw/zinc/33/06/38/573330638.db2.gz LBULVDYEUKOYCW-UHFFFAOYSA-N 1 0 193.221 2.681 10 0 AFAERO CC(C)(C)C[C@@H]1CCC[C@@H]1[NH3+] 74342634 573330643 /nfs/dbraw/zinc/33/06/43/573330643.db2.gz NBXMXZRJEQSSRP-IUCAKERBSA-N 1 0 155.285 2.550 10 0 AFAERO Cc1ccccc1[C@@]1(C)CC[C@H](C)[NH2+]1 258002726 573330657 /nfs/dbraw/zinc/33/06/57/573330657.db2.gz MBRAVYKEZGMSFK-WCQYABFASA-N 1 0 189.302 2.982 10 0 AFAERO Cc1ccccc1[C@]1(C)CC[C@H](C)[NH2+]1 258002720 573330685 /nfs/dbraw/zinc/33/06/85/573330685.db2.gz MBRAVYKEZGMSFK-AAEUAGOBSA-N 1 0 189.302 2.982 10 0 AFAERO C[C@@H]1C[C@H](C[C@@H]2CCCSC2)C[NH2+]1 258002864 573330757 /nfs/dbraw/zinc/33/07/57/573330757.db2.gz AMISERHOHQHPEJ-OUAUKWLOSA-N 1 0 199.363 2.518 10 0 AFAERO CC[NH2+]C[C@@H]1CCC[C@H](CC(C)C)O1 308550124 573330763 /nfs/dbraw/zinc/33/07/63/573330763.db2.gz RILPGVUDBHQEAV-NEPJUHHUSA-N 1 0 199.338 2.580 10 0 AFAERO [NH3+][C@@H](CCCC(F)(F)F)CC1CC1 124105643 573332157 /nfs/dbraw/zinc/33/21/57/573332157.db2.gz BCNALNJGIXGDJN-QMMMGPOBSA-N 1 0 195.228 2.846 10 0 AFAERO CCc1[nH+]cc2cccc(Cl)n12 258006411 573332499 /nfs/dbraw/zinc/33/24/99/573332499.db2.gz PTHFIMCIABYVCW-UHFFFAOYSA-N 1 0 180.638 2.550 10 0 AFAERO CCC(CC)n1cc([C@@H](C)[NH3+])nc1C 308550715 573332626 /nfs/dbraw/zinc/33/26/26/573332626.db2.gz PXMXGHSVJDSZRT-MRVPVSSYSA-N 1 0 195.310 2.572 10 0 AFAERO CC[C@@H](C[NH3+])OCCCC(C)(C)C 308345249 573332636 /nfs/dbraw/zinc/33/26/36/573332636.db2.gz UVYJDSUJCVVRMF-JTQLQIEISA-N 1 0 187.327 2.567 10 0 AFAERO C[C@H](C1CC1)[C@H]([NH3+])c1ccccc1F 124107373 573335052 /nfs/dbraw/zinc/33/50/52/573335052.db2.gz XYIUWNSYPFLFSZ-PELKAZGASA-N 1 0 193.265 2.872 10 0 AFAERO CC[C@@H](C)[C@@H](C)[NH2+]C[C@@H]1CCC=CO1 50269541 573335088 /nfs/dbraw/zinc/33/50/88/573335088.db2.gz UWMKGUGLCRLCQO-UTUOFQBUSA-N 1 0 197.322 2.703 10 0 AFAERO CCC[NH2+]C[C@@H]1CCCO[C@@H]1CCC 86248395 573335922 /nfs/dbraw/zinc/33/59/22/573335922.db2.gz PNLAYHTYICLCHQ-NWDGAFQWSA-N 1 0 199.338 2.581 10 0 AFAERO CCC[C@@H](C)[N@H+](C)Cc1ccc[nH]1 393584749 573335186 /nfs/dbraw/zinc/33/51/86/573335186.db2.gz PGSVDGRCBKGAGF-SNVBAGLBSA-N 1 0 180.295 2.635 10 0 AFAERO CSCCCC1=C[C@@H]([NH3+])C[C@H](C)C1 308345606 573335409 /nfs/dbraw/zinc/33/54/09/573335409.db2.gz VAGZBRISHZTDCD-KOLCDFICSA-N 1 0 199.363 2.813 10 0 AFAERO COCCC[C@]1(C(C)C)CCCC[NH2+]1 258004932 573335544 /nfs/dbraw/zinc/33/55/44/573335544.db2.gz ARPYWTHOIVDEHJ-LBPRGKRZSA-N 1 0 199.338 2.581 10 0 AFAERO CC[C@H]([NH2+]C(C)C)c1ncc(C)s1 132776918 573335856 /nfs/dbraw/zinc/33/58/56/573335856.db2.gz VQNCIJAPBBKHMS-VIFPVBQESA-N 1 0 198.335 2.901 10 0 AFAERO CCO[C@H](c1ccsc1)[C@H]([NH3+])CC 43124341 573335955 /nfs/dbraw/zinc/33/59/55/573335955.db2.gz ZAAPBGAWHUNKJR-NXEZZACHSA-N 1 0 199.319 2.563 10 0 AFAERO CC[C@@H]([NH2+]C(C)C)c1ncc(C)s1 132777128 573335959 /nfs/dbraw/zinc/33/59/59/573335959.db2.gz VQNCIJAPBBKHMS-SECBINFHSA-N 1 0 198.335 2.901 10 0 AFAERO COc1ccc([C@H](C)[NH+](C)C)cc1C 259087859 573336031 /nfs/dbraw/zinc/33/60/31/573336031.db2.gz GCCZQUMPBPYJHJ-JTQLQIEISA-N 1 0 193.290 2.626 10 0 AFAERO CCO[C@H](c1ccsc1)[C@@H]([NH3+])CC 43124340 573336089 /nfs/dbraw/zinc/33/60/89/573336089.db2.gz ZAAPBGAWHUNKJR-VHSXEESVSA-N 1 0 199.319 2.563 10 0 AFAERO COc1ccc([C@@H](C)[NH+](C)C)cc1C 259087861 573336132 /nfs/dbraw/zinc/33/61/32/573336132.db2.gz GCCZQUMPBPYJHJ-SNVBAGLBSA-N 1 0 193.290 2.626 10 0 AFAERO C[C@]1(CC[C@H]2C[C@@H]2C2CC2)CCC[NH2+]1 714902782 573336134 /nfs/dbraw/zinc/33/61/34/573336134.db2.gz WJNNADWMKDJMBV-YNEHKIRRSA-N 1 0 193.334 2.955 10 0 AFAERO CC(C)C(C)(C)C[C@]1([NH3+])C[C@H]1C 642830822 573336143 /nfs/dbraw/zinc/33/61/43/573336143.db2.gz BLMLXPAMHRNMKX-MWLCHTKSSA-N 1 0 169.312 2.796 10 0 AFAERO CCC(CC)n1cc([C@H](C)[NH3+])nc1C 308550716 573336237 /nfs/dbraw/zinc/33/62/37/573336237.db2.gz PXMXGHSVJDSZRT-QMMMGPOBSA-N 1 0 195.310 2.572 10 0 AFAERO CCc1ccc(C)c2c1[C@@H]([NH3+])CCC2 238355799 573336544 /nfs/dbraw/zinc/33/65/44/573336544.db2.gz GHZBQFOMFJBOCQ-LBPRGKRZSA-N 1 0 189.302 2.894 10 0 AFAERO CCC[C@]1(C2CC2)C[C@H]1C[NH2+]C1CC1 308555139 573339538 /nfs/dbraw/zinc/33/95/38/573339538.db2.gz RUCBRBLFWDEBAU-WCQYABFASA-N 1 0 193.334 2.955 10 0 AFAERO C[NH2+]Cc1cc(C2CCCC2)[nH]c1C 259091469 573339677 /nfs/dbraw/zinc/33/96/77/573339677.db2.gz GUPXYIFLYDLWIO-UHFFFAOYSA-N 1 0 192.306 2.700 10 0 AFAERO CNc1cccc([C@H]([NH3+])CC(C)C)c1 259087000 573339941 /nfs/dbraw/zinc/33/99/41/573339941.db2.gz AFRCIMNYMUHUTD-GFCCVEGCSA-N 1 0 192.306 2.774 10 0 AFAERO Cc1ccc2c(C[NH3+])c(C)sc2c1 107423061 573339965 /nfs/dbraw/zinc/33/99/65/573339965.db2.gz OVFOEEOBWZQDOY-UHFFFAOYSA-N 1 0 191.299 2.977 10 0 AFAERO C[C@H]([NH3+])C(C)(C)Cc1ccccc1 107087048 573341404 /nfs/dbraw/zinc/34/14/04/573341404.db2.gz BKZHFDBUCXEKTK-JTQLQIEISA-N 1 0 177.291 2.603 10 0 AFAERO C[C@@H](C[NH2+]CCC(F)(F)F)C1CC1 132780885 573340405 /nfs/dbraw/zinc/34/04/05/573340405.db2.gz OFCCRGQABXXMCS-ZETCQYMHSA-N 1 0 195.228 2.575 10 0 AFAERO CCc1ccc2c(c1)C[N@H+](CC)CC2 74448243 573340696 /nfs/dbraw/zinc/34/06/96/573340696.db2.gz ALUQIEDXVFCCMT-UHFFFAOYSA-N 1 0 189.302 2.627 10 0 AFAERO CCC[C@]1(C2CC2)C[C@@H]1C[NH2+]C1CC1 308555138 573340739 /nfs/dbraw/zinc/34/07/39/573340739.db2.gz RUCBRBLFWDEBAU-DGCLKSJQSA-N 1 0 193.334 2.955 10 0 AFAERO C[NH2+][C@@H](C1CCCCCC1)[C@H](C)OC 129546440 573340806 /nfs/dbraw/zinc/34/08/06/573340806.db2.gz SHKXGXBFJGWZHT-CMPLNLGQSA-N 1 0 199.338 2.580 10 0 AFAERO C[NH2+][C@@H](C1CCCCCC1)[C@@H](C)OC 129546681 573340898 /nfs/dbraw/zinc/34/08/98/573340898.db2.gz SHKXGXBFJGWZHT-ZYHUDNBSSA-N 1 0 199.338 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NIIDEFSYNUNPLY-QMMMGPOBSA-N 1 0 174.247 2.526 10 0 AFAERO C[C@@H]([NH3+])c1cc(O)cc2ccccc12 238425140 573524620 /nfs/dbraw/zinc/52/46/20/573524620.db2.gz NZQKWCIXLGUPTE-MRVPVSSYSA-N 1 0 187.242 2.565 10 0 AFAERO CC[C@@H](C)[NH2+][C@@H](C)c1ccncc1F 308612480 573524759 /nfs/dbraw/zinc/52/47/59/573524759.db2.gz QZQPSLJOAAHQKE-BDAKNGLRSA-N 1 0 196.269 2.670 10 0 AFAERO CC1=CC[C@@H](C[C@@H](C)[NH3+])C1(C)C 238425821 573524763 /nfs/dbraw/zinc/52/47/63/573524763.db2.gz OXYAJDMJKJCSTB-ZJUUUORDSA-N 1 0 167.296 2.716 10 0 AFAERO CC[C@H](C)[NH2+][C@H](C)c1ccncc1F 308612482 573525068 /nfs/dbraw/zinc/52/50/68/573525068.db2.gz QZQPSLJOAAHQKE-DTWKUNHWSA-N 1 0 196.269 2.670 10 0 AFAERO C[NH2+]C[C@H](F)c1cccc(C)c1C 257826702 573525094 /nfs/dbraw/zinc/52/50/94/573525094.db2.gz HHIRTZRBHHFKDG-NSHDSACASA-N 1 0 181.254 2.533 10 0 AFAERO Cc1ccc(CCC2([NH3+])CC2)c(F)c1 257826786 573525112 /nfs/dbraw/zinc/52/51/12/573525112.db2.gz HQECKROKYVGFOR-UHFFFAOYSA-N 1 0 193.265 2.558 10 0 AFAERO C[C@@H]([NH3+])[C@@H]1CCCc2cccc(F)c21 257826851 573525327 /nfs/dbraw/zinc/52/53/27/573525327.db2.gz HSTHPZRUIRNZAX-SCZZXKLOSA-N 1 0 193.265 2.593 10 0 AFAERO COCCCC[C@H]([NH3+])C1(C)CCCC1 308605958 573525424 /nfs/dbraw/zinc/52/54/24/573525424.db2.gz WNHDCOFHCOSMSX-NSHDSACASA-N 1 0 199.338 2.711 10 0 AFAERO CC[C@@H](C)[NH2+][C@H](C)c1ccncc1F 308612484 573525435 /nfs/dbraw/zinc/52/54/35/573525435.db2.gz QZQPSLJOAAHQKE-RKDXNWHRSA-N 1 0 196.269 2.670 10 0 AFAERO C[NH2+]C[C@H](F)c1ccccc1Cl 257823664 573525550 /nfs/dbraw/zinc/52/55/50/573525550.db2.gz FTYOJMFACDWSLV-VIFPVBQESA-N 1 0 187.645 2.570 10 0 AFAERO COCCCC[C@@H]([NH3+])C1(C)CCCC1 308605957 573525575 /nfs/dbraw/zinc/52/55/75/573525575.db2.gz WNHDCOFHCOSMSX-LLVKDONJSA-N 1 0 199.338 2.711 10 0 AFAERO CCOCCC[C@H]([NH3+])CC1(C)CCC1 308613250 573525640 /nfs/dbraw/zinc/52/56/40/573525640.db2.gz OLDIXZJVYZJZEZ-NSHDSACASA-N 1 0 199.338 2.711 10 0 AFAERO Cc1ccc([C@@](C)(F)C(C)(C)[NH3+])cc1 257826854 573525723 /nfs/dbraw/zinc/52/57/23/573525723.db2.gz HTAQPWDJVAXEAC-GFCCVEGCSA-N 1 0 195.281 2.917 10 0 AFAERO Cc1ccc(NCCC[C@H](C)[NH3+])cc1 258750276 573525767 /nfs/dbraw/zinc/52/57/67/573525767.db2.gz OBZLPFKTBBUDDH-NSHDSACASA-N 1 0 192.306 2.534 10 0 AFAERO CCSC[C@@H]([NH3+])c1ccsc1 83485232 573525862 /nfs/dbraw/zinc/52/58/62/573525862.db2.gz DIEROKHEQWSPAV-MRVPVSSYSA-N 1 0 187.333 2.501 10 0 AFAERO CCSC1(C[NH3+])CCCCCC1 83484425 573525948 /nfs/dbraw/zinc/52/59/48/573525948.db2.gz HIGVBSHNIZDRRC-UHFFFAOYSA-N 1 0 187.352 2.791 10 0 AFAERO Cc1cccc(C)c1CCC[C@@H](C)[NH3+] 126406376 573526068 /nfs/dbraw/zinc/52/60/68/573526068.db2.gz DLAPGMSZBQCGAK-GFCCVEGCSA-N 1 0 191.318 2.973 10 0 AFAERO CC(C)Cc1ccccc1[C@H](C)C[NH3+] 257827860 573527445 /nfs/dbraw/zinc/52/74/45/573527445.db2.gz ICJUIRKPPCTFKN-LLVKDONJSA-N 1 0 191.318 2.947 10 0 AFAERO Cc1ccsc1C[C@@H](C[NH3+])C(C)C 259488506 573527486 /nfs/dbraw/zinc/52/74/86/573527486.db2.gz SSRGGTPHDLTCID-JTQLQIEISA-N 1 0 197.347 2.830 10 0 AFAERO C[NH2+]C[C@@](C)(F)c1ccc(F)cc1C 257827262 573527496 /nfs/dbraw/zinc/52/74/96/573527496.db2.gz HTKWXMHJZMLQAP-LLVKDONJSA-N 1 0 199.244 2.538 10 0 AFAERO CCCCC[C@@H]([NH3+])CC1CCOCC1 126401686 573527551 /nfs/dbraw/zinc/52/75/51/573527551.db2.gz IVZIAMJRFQKDSR-GFCCVEGCSA-N 1 0 199.338 2.711 10 0 AFAERO CC(C)C[C@@H](F)[C@H]1CCC[NH2+]CC1 257827620 573527568 /nfs/dbraw/zinc/52/75/68/573527568.db2.gz HZSMZQGZJOJKLP-WDEREUQCSA-N 1 0 187.302 2.760 10 0 AFAERO C[C@](F)(C1CC1)[C@@H]1CCC[NH2+]CC1 257827982 573527657 /nfs/dbraw/zinc/52/76/57/573527657.db2.gz IBPBZPOMNFCWQM-MWLCHTKSSA-N 1 0 185.286 2.514 10 0 AFAERO CCSC[C@H]([NH3+])c1cccs1 83485089 573527688 /nfs/dbraw/zinc/52/76/88/573527688.db2.gz YXPVOBBQIWJAAS-ZETCQYMHSA-N 1 0 187.333 2.501 10 0 AFAERO CC(C)c1ccnc(C2([NH3+])CCC2)c1 259489101 573527740 /nfs/dbraw/zinc/52/77/40/573527740.db2.gz XVBTYKCRXGUYGS-UHFFFAOYSA-N 1 0 190.290 2.543 10 0 AFAERO CC(C)C[C@H](F)[C@H]1CCC[NH2+]CC1 257827619 573530386 /nfs/dbraw/zinc/53/03/86/573530386.db2.gz HZSMZQGZJOJKLP-QWRGUYRKSA-N 1 0 187.302 2.760 10 0 AFAERO CCC[C@@H]([NH2+]C1CC(C)C1)C1CC1 130409271 573531051 /nfs/dbraw/zinc/53/10/51/573531051.db2.gz LJYIZVFUWPDFPL-QEWOUOOISA-N 1 0 181.323 2.953 10 0 AFAERO Cc1c(F)ccc([C@H](C)[NH3+])c1Cl 238426253 573527944 /nfs/dbraw/zinc/52/79/44/573527944.db2.gz DVMOVTGBRXPKOK-LURJTMIESA-N 1 0 187.645 2.807 10 0 AFAERO CCc1cc(CC2([NH3+])CC2)ccc1C 258059333 573527988 /nfs/dbraw/zinc/52/79/88/573527988.db2.gz LHYDTGUNQRYWHB-UHFFFAOYSA-N 1 0 189.302 2.591 10 0 AFAERO C[C@@](F)(C1CC1)[C@@H]1CCC[NH2+]CC1 257827981 573527999 /nfs/dbraw/zinc/52/79/99/573527999.db2.gz IBPBZPOMNFCWQM-KOLCDFICSA-N 1 0 185.286 2.514 10 0 AFAERO CCc1ccc([C@@H](C)C[NH3+])cc1C 258058193 573528065 /nfs/dbraw/zinc/52/80/65/573528065.db2.gz SGSHMFKLNLKSQZ-JTQLQIEISA-N 1 0 177.291 2.620 10 0 AFAERO CCC(CC)[C@H]([NH3+])CC1CCOCC1 126400449 573528151 /nfs/dbraw/zinc/52/81/51/573528151.db2.gz XXPYDSXMUWAGFW-GFCCVEGCSA-N 1 0 199.338 2.567 10 0 AFAERO CC1=CC[C@H](C[C@@H](C)[NH3+])C1(C)C 238426502 573528164 /nfs/dbraw/zinc/52/81/64/573528164.db2.gz OXYAJDMJKJCSTB-NXEZZACHSA-N 1 0 167.296 2.716 10 0 AFAERO Cc1cc(Cl)c([C@H](C)[NH3+])cc1F 259489216 573528205 /nfs/dbraw/zinc/52/82/05/573528205.db2.gz QCNCWIIVUHAKDH-LURJTMIESA-N 1 0 187.645 2.807 10 0 AFAERO C[C@@H](c1ccccc1)[C@@H]1C=CC[NH2+]C1 238426266 573528299 /nfs/dbraw/zinc/52/82/99/573528299.db2.gz ZAUAZZSXWOQASZ-WCQYABFASA-N 1 0 187.286 2.566 10 0 AFAERO C[NH2+][C@@H](C)CC(F)(F)CC(C)C 257827449 573528363 /nfs/dbraw/zinc/52/83/63/573528363.db2.gz HVXZJENBJDRAQB-QMMMGPOBSA-N 1 0 179.254 2.666 10 0 AFAERO Cc1ccsc1C[C@H](C[NH3+])C(C)C 259488508 573528467 /nfs/dbraw/zinc/52/84/67/573528467.db2.gz SSRGGTPHDLTCID-SNVBAGLBSA-N 1 0 197.347 2.830 10 0 AFAERO CC[NH2+]C[C@]1(c2ccccc2)C[C@@H]1C 161014449 573528618 /nfs/dbraw/zinc/52/86/18/573528618.db2.gz ZTWDRIDXVUPFNJ-WCQYABFASA-N 1 0 189.302 2.574 10 0 AFAERO Cc1cc2ccc([C@H](C)[NH3+])cc2cn1 258059169 573528807 /nfs/dbraw/zinc/52/88/07/573528807.db2.gz LELHIVWFMBXPQS-VIFPVBQESA-N 1 0 186.258 2.563 10 0 AFAERO C[C@@H](F)c1cccc(CC(C)(C)[NH3+])c1 258059225 573528821 /nfs/dbraw/zinc/52/88/21/573528821.db2.gz LFMPJXVQMCVFRG-SECBINFHSA-N 1 0 195.281 2.997 10 0 AFAERO [NH3+]C1([C@@H](F)c2ccccc2)CCCC1 257828024 573528842 /nfs/dbraw/zinc/52/88/42/573528842.db2.gz IDUCYAPRIQUECO-NSHDSACASA-N 1 0 193.265 2.969 10 0 AFAERO C[NH2+]C[C@@H](F)c1ccc(C)cc1C 257827931 573528903 /nfs/dbraw/zinc/52/89/03/573528903.db2.gz IEWVEOJOYFCTRQ-LLVKDONJSA-N 1 0 181.254 2.533 10 0 AFAERO CCC(C)(C)[C@H]([NH3+])CC1CCOCC1 126393673 573528917 /nfs/dbraw/zinc/52/89/17/573528917.db2.gz YCBLGXQQSTXQLF-LLVKDONJSA-N 1 0 199.338 2.567 10 0 AFAERO CC(C)(C[NH3+])C1=CCc2ccccc21 257827520 573528992 /nfs/dbraw/zinc/52/89/92/573528992.db2.gz HYTACXZBFIUSPH-UHFFFAOYSA-N 1 0 187.286 2.611 10 0 AFAERO C[C@@H]([NH3+])Cc1ccc(C(C)(C)F)cc1 258059276 573529054 /nfs/dbraw/zinc/52/90/54/573529054.db2.gz LGMYZJLSPVVJCF-SECBINFHSA-N 1 0 195.281 2.781 10 0 AFAERO CCSC1(C[NH3+])CC2(CCCC2)C1 83484411 573530433 /nfs/dbraw/zinc/53/04/33/573530433.db2.gz GSBSTCJYJFIAHL-UHFFFAOYSA-N 1 0 199.363 2.791 10 0 AFAERO C[NH2+]CC/C=C\c1ccc(Cl)o1 258058982 573530439 /nfs/dbraw/zinc/53/04/39/573530439.db2.gz DQIXJZVUDSJAKX-RQOWECAXSA-N 1 0 185.654 2.556 10 0 AFAERO CC(C)C[C@@H](F)[C@@H]1CCC[NH2+]CC1 257827617 573529274 /nfs/dbraw/zinc/52/92/74/573529274.db2.gz HZSMZQGZJOJKLP-GHMZBOCLSA-N 1 0 187.302 2.760 10 0 AFAERO CSC1(C[NH3+])CC2(CCCCC2)C1 83484192 573529280 /nfs/dbraw/zinc/52/92/80/573529280.db2.gz YRTQZSDICMQGJY-UHFFFAOYSA-N 1 0 199.363 2.791 10 0 AFAERO C[NH2+][C@@H](C)c1coc2ccc(F)cc12 258052177 573529296 /nfs/dbraw/zinc/52/92/96/573529296.db2.gz FSQXHKPTZKCBGW-ZETCQYMHSA-N 1 0 193.221 2.852 10 0 AFAERO CNc1cccc([C@@H]([NH3+])C2CCC2)c1 259491508 573529299 /nfs/dbraw/zinc/52/92/99/573529299.db2.gz TUIFGPNLAKOHRJ-LBPRGKRZSA-N 1 0 190.290 2.528 10 0 AFAERO CCC[C@@H](F)C1C[C@@H]2CC[C@H](C1)[NH2+]2 257827469 573529358 /nfs/dbraw/zinc/52/93/58/573529358.db2.gz HWQDQQNYMNRYQF-HUAZRZQGSA-N 1 0 185.286 2.655 10 0 AFAERO CCCCC[C@H]([NH3+])CC1CCOCC1 126401441 573529486 /nfs/dbraw/zinc/52/94/86/573529486.db2.gz IVZIAMJRFQKDSR-LBPRGKRZSA-N 1 0 199.338 2.711 10 0 AFAERO [NH3+]C1([C@H](F)c2ccccc2)CCCC1 257828023 573530465 /nfs/dbraw/zinc/53/04/65/573530465.db2.gz IDUCYAPRIQUECO-LLVKDONJSA-N 1 0 193.265 2.969 10 0 AFAERO [NH3+]C/C=C/c1cccc2c1CCCC2 258059120 573529574 /nfs/dbraw/zinc/52/95/74/573529574.db2.gz LDWOCMOQFDVUGH-XBXARRHUSA-N 1 0 187.286 2.537 10 0 AFAERO Cc1cc(F)ccc1[C@H]1C[C@H]1[C@@H](C)[NH3+] 50568848 573529649 /nfs/dbraw/zinc/52/96/49/573529649.db2.gz JTRADABIIQTTEF-JFUSQASVSA-N 1 0 193.265 2.585 10 0 AFAERO CCC[C@H](F)C1C[C@@H]2CC[C@H](C1)[NH2+]2 257827467 573529704 /nfs/dbraw/zinc/52/97/04/573529704.db2.gz HWQDQQNYMNRYQF-GYIHNLGQSA-N 1 0 185.286 2.655 10 0 AFAERO CC(C)C[C@H](CC[NH3+])C(C)(F)F 257827453 573529903 /nfs/dbraw/zinc/52/99/03/573529903.db2.gz HWDAGTUNQVBFDW-QMMMGPOBSA-N 1 0 179.254 2.653 10 0 AFAERO CC(C)CC[C@]1(C)C[NH2+]CC(C)(C)O1 83473204 573529956 /nfs/dbraw/zinc/52/99/56/573529956.db2.gz QEUWUQSLSJWRGO-GFCCVEGCSA-N 1 0 199.338 2.580 10 0 AFAERO CCc1ccc([C@H](C)C[NH3+])cc1C 258058196 573530042 /nfs/dbraw/zinc/53/00/42/573530042.db2.gz SGSHMFKLNLKSQZ-SNVBAGLBSA-N 1 0 177.291 2.620 10 0 AFAERO CC(C)Cc1ccccc1[C@@H](C)C[NH3+] 257827863 573530048 /nfs/dbraw/zinc/53/00/48/573530048.db2.gz ICJUIRKPPCTFKN-NSHDSACASA-N 1 0 191.318 2.947 10 0 AFAERO Cc1cc(F)ccc1[C@H]1C[C@@H]1[C@@H](C)[NH3+] 50568846 573530086 /nfs/dbraw/zinc/53/00/86/573530086.db2.gz JTRADABIIQTTEF-GGZOMVNGSA-N 1 0 193.265 2.585 10 0 AFAERO CCSC[C@@H]([NH3+])c1cccs1 83485090 573530156 /nfs/dbraw/zinc/53/01/56/573530156.db2.gz YXPVOBBQIWJAAS-SSDOTTSWSA-N 1 0 187.333 2.501 10 0 AFAERO C[C@](F)(C1CC1)[C@H]1CCC[NH2+]CC1 257827980 573530210 /nfs/dbraw/zinc/53/02/10/573530210.db2.gz IBPBZPOMNFCWQM-GXSJLCMTSA-N 1 0 185.286 2.514 10 0 AFAERO Cc1cc(Cl)c([C@@H](C)[NH3+])cc1F 259489217 573530303 /nfs/dbraw/zinc/53/03/03/573530303.db2.gz QCNCWIIVUHAKDH-ZCFIWIBFSA-N 1 0 187.645 2.807 10 0 AFAERO C[C@H](F)c1cccc(CC(C)(C)[NH3+])c1 258059228 573530900 /nfs/dbraw/zinc/53/09/00/573530900.db2.gz LFMPJXVQMCVFRG-VIFPVBQESA-N 1 0 195.281 2.997 10 0 AFAERO C[NH2+]C[C@](C)(F)c1ccc(F)cc1C 257827263 573530786 /nfs/dbraw/zinc/53/07/86/573530786.db2.gz HTKWXMHJZMLQAP-NSHDSACASA-N 1 0 199.244 2.538 10 0 AFAERO C[NH2+]C[C@@H](C)C1CCCCCC1 107332150 573530858 /nfs/dbraw/zinc/53/08/58/573530858.db2.gz BAYNOHFWDXKUSW-SNVBAGLBSA-N 1 0 169.312 2.812 10 0 AFAERO Cc1cccc(C)c1CCC[C@H](C)[NH3+] 126406603 573530869 /nfs/dbraw/zinc/53/08/69/573530869.db2.gz DLAPGMSZBQCGAK-LBPRGKRZSA-N 1 0 191.318 2.973 10 0 AFAERO C[C@@](F)(C1CC1)[C@H]1CCC[NH2+]CC1 257827983 573530874 /nfs/dbraw/zinc/53/08/74/573530874.db2.gz IBPBZPOMNFCWQM-ONGXEEELSA-N 1 0 185.286 2.514 10 0 AFAERO CC(C)C[C@H](F)[C@@H]1CCC[NH2+]CC1 257827618 573530882 /nfs/dbraw/zinc/53/08/82/573530882.db2.gz HZSMZQGZJOJKLP-MNOVXSKESA-N 1 0 187.302 2.760 10 0 AFAERO [NH3+]C1(c2cccc3ccncc23)CCC1 258052601 573530906 /nfs/dbraw/zinc/53/09/06/573530906.db2.gz GVBCJSMRAPEZBI-UHFFFAOYSA-N 1 0 198.269 2.573 10 0 AFAERO CC(C)CC[C@@]1(C)C[NH2+]CC(C)(C)O1 83473206 573531070 /nfs/dbraw/zinc/53/10/70/573531070.db2.gz QEUWUQSLSJWRGO-LBPRGKRZSA-N 1 0 199.338 2.580 10 0 AFAERO CNc1cccc([C@H]([NH3+])C2CCC2)c1 259491507 573531153 /nfs/dbraw/zinc/53/11/53/573531153.db2.gz TUIFGPNLAKOHRJ-GFCCVEGCSA-N 1 0 190.290 2.528 10 0 AFAERO CCC(F)(F)c1cccc(C[NH3+])c1 259492880 573531258 /nfs/dbraw/zinc/53/12/58/573531258.db2.gz NJJFCBASUVRYTI-UHFFFAOYSA-N 1 0 185.217 2.647 10 0 AFAERO CCc1cc(/C=C/C[NH3+])c(C)cc1F 258059320 573531919 /nfs/dbraw/zinc/53/19/19/573531919.db2.gz LHRVPEXMAAIAPY-SNAWJCMRSA-N 1 0 193.265 2.668 10 0 AFAERO CCC1CCC([C@H](F)CC[NH3+])CC1 130422263 573531914 /nfs/dbraw/zinc/53/19/14/573531914.db2.gz TXQOYCKMEVLNFN-VQXHTEKXSA-N 1 0 187.302 2.890 10 0 AFAERO CC(C)SC1(C[NH3+])CCCCC1 83488350 573533804 /nfs/dbraw/zinc/53/38/04/573533804.db2.gz XYXUXPGXLZXCFA-UHFFFAOYSA-N 1 0 187.352 2.790 10 0 AFAERO Cc1cccc(C)c1CC[C@@H](C)C[NH3+] 126413973 573531772 /nfs/dbraw/zinc/53/17/72/573531772.db2.gz GJSCOLVGWJDFJS-SNVBAGLBSA-N 1 0 191.318 2.831 10 0 AFAERO C[C@H]([NH3+])Cc1ccc(C(C)(C)F)cc1 258059277 573531785 /nfs/dbraw/zinc/53/17/85/573531785.db2.gz LGMYZJLSPVVJCF-VIFPVBQESA-N 1 0 195.281 2.781 10 0 AFAERO CCCCC[C@H](NN)[C@@H](C)C(C)C 130405675 573531803 /nfs/dbraw/zinc/53/18/03/573531803.db2.gz VWVRNMDYAZIOJL-QWRGUYRKSA-N 1 0 186.343 2.691 10 0 AFAERO CC(C)c1cc([C@@H](C)[NH3+])nn1C(C)C 257828923 573531844 /nfs/dbraw/zinc/53/18/44/573531844.db2.gz IMNWHZGHZGIDOJ-SECBINFHSA-N 1 0 195.310 2.607 10 0 AFAERO CCc1ccc(C)c(/C=C/C[NH3+])c1 258054540 573533803 /nfs/dbraw/zinc/53/38/03/573533803.db2.gz RWQCXCINBRIDJI-SNAWJCMRSA-N 1 0 175.275 2.529 10 0 AFAERO Cc1cccc([C@@](C)(F)[C@@H]2CC[NH2+]2)c1 257828488 573535199 /nfs/dbraw/zinc/53/51/99/573535199.db2.gz IJCFNSNTSPDWLF-NWDGAFQWSA-N 1 0 193.265 2.542 10 0 AFAERO CC(C)SC1(C[NH3+])CC2(CCC2)C1 83488352 573532799 /nfs/dbraw/zinc/53/27/99/573532799.db2.gz OAXDJFBQNNGGKE-UHFFFAOYSA-N 1 0 199.363 2.790 10 0 AFAERO Cc1cccc(NCCC[C@@H](C)[NH3+])c1 258753767 573532824 /nfs/dbraw/zinc/53/28/24/573532824.db2.gz OILLEWBVROELLF-LLVKDONJSA-N 1 0 192.306 2.534 10 0 AFAERO CCC1CCC([C@@H](F)CC[NH3+])CC1 130422472 573535251 /nfs/dbraw/zinc/53/52/51/573535251.db2.gz TXQOYCKMEVLNFN-ILDUYXDCSA-N 1 0 187.302 2.890 10 0 AFAERO CC(C)c1cc([C@H](C)[NH3+])nn1C(C)C 257828924 573532923 /nfs/dbraw/zinc/53/29/23/573532923.db2.gz IMNWHZGHZGIDOJ-VIFPVBQESA-N 1 0 195.310 2.607 10 0 AFAERO CCC/C=C\CC[NH2+]CC(C)C 211887100 573532947 /nfs/dbraw/zinc/53/29/47/573532947.db2.gz HVOHHQNLDDUOEX-SREVYHEPSA-N 1 0 169.312 2.978 10 0 AFAERO Cc1cccc([C@](C)(F)[C@@H]2CC[NH2+]2)c1 257828489 573532969 /nfs/dbraw/zinc/53/29/69/573532969.db2.gz IJCFNSNTSPDWLF-RYUDHWBXSA-N 1 0 193.265 2.542 10 0 AFAERO Cc1cccc([C@](C)(F)[C@H]2CC[NH2+]2)c1 257828487 573533018 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IMFNJSLWHOYVFB-NSHDSACASA-N 1 0 187.302 2.890 10 0 AFAERO C[C@@]12CCCC[C@@H]1CCC[C@@H]2[NH3+] 238429526 573533672 /nfs/dbraw/zinc/53/36/72/573533672.db2.gz FMDJDRFNDYFROY-OUAUKWLOSA-N 1 0 167.296 2.694 10 0 AFAERO C[NH2+][C@@H](C)[C@H]1CCc2c(C)cccc21 257828516 573533837 /nfs/dbraw/zinc/53/38/37/573533837.db2.gz IKGSJUIZRUWQHY-CMPLNLGQSA-N 1 0 189.302 2.633 10 0 AFAERO C[C@H]1CC[NH2+][C@@]1(C)c1ccccc1 258054493 573533955 /nfs/dbraw/zinc/53/39/55/573533955.db2.gz RVHSVPFPGIUGLP-CMPLNLGQSA-N 1 0 175.275 2.531 10 0 AFAERO Cc1cccc(C)c1CC[C@H](C)C[NH3+] 126414188 573534003 /nfs/dbraw/zinc/53/40/03/573534003.db2.gz GJSCOLVGWJDFJS-JTQLQIEISA-N 1 0 191.318 2.831 10 0 AFAERO CC[C@]1(C[C@H]2CCSC2)CCC[NH2+]1 258054075 573534025 /nfs/dbraw/zinc/53/40/25/573534025.db2.gz DIFNFEQTGLNWGB-GHMZBOCLSA-N 1 0 199.363 2.662 10 0 AFAERO C[NH2+][C@H](C)[C@@H]1CCc2c(C)cccc21 257828519 573534178 /nfs/dbraw/zinc/53/41/78/573534178.db2.gz IKGSJUIZRUWQHY-PWSUYJOCSA-N 1 0 189.302 2.633 10 0 AFAERO 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C[NH2+][C@@H](C)[C@@H]1CCc2c(C)cccc21 257828518 573536077 /nfs/dbraw/zinc/53/60/77/573536077.db2.gz IKGSJUIZRUWQHY-JQWIXIFHSA-N 1 0 189.302 2.633 10 0 AFAERO c1ccc([C@@H]2CC[NH2+]CC23CC3)cc1 257828584 573535815 /nfs/dbraw/zinc/53/58/15/573535815.db2.gz IKUDRNCKCIDPPE-LBPRGKRZSA-N 1 0 187.286 2.544 10 0 AFAERO C[C@H](C1=CCCC1)[C@@H]1CCCC[NH2+]1 238430614 573535818 /nfs/dbraw/zinc/53/58/18/573535818.db2.gz ORWCLNBNMVMYGY-PWSUYJOCSA-N 1 0 179.307 2.875 10 0 AFAERO CSc1ccc(F)cc1[C@@H](C)C[NH3+] 258052777 573535891 /nfs/dbraw/zinc/53/58/91/573535891.db2.gz GYCFWNCLLAXKLC-ZETCQYMHSA-N 1 0 199.294 2.610 10 0 AFAERO CC(C)c1cccc(C[C@@H](C)[NH3+])c1 107336646 573535905 /nfs/dbraw/zinc/53/59/05/573535905.db2.gz XDMGAQJKIYOIOV-SNVBAGLBSA-N 1 0 177.291 2.700 10 0 AFAERO CC1(C)CC[C@H](c2ccc(O)cc2)[NH2+]1 258054454 573535969 /nfs/dbraw/zinc/53/59/69/573535969.db2.gz RUJSBZFNECYGSY-LLVKDONJSA-N 1 0 191.274 2.595 10 0 AFAERO CCCCCC[NH2+]C/C=C\Cl 78586213 573535997 /nfs/dbraw/zinc/53/59/97/573535997.db2.gz WZNRRFSUAMOYHD-SREVYHEPSA-N 1 0 175.703 2.909 10 0 AFAERO C[C@H]1CC[NH2+][C@]1(C)c1ccccc1 258054496 573536049 /nfs/dbraw/zinc/53/60/49/573536049.db2.gz RVHSVPFPGIUGLP-JQWIXIFHSA-N 1 0 175.275 2.531 10 0 AFAERO [NH3+]C1([C@H](F)c2ccccc2)CCC1 257829064 573539901 /nfs/dbraw/zinc/53/99/01/573539901.db2.gz IRCVBLGLCXSNIO-SNVBAGLBSA-N 1 0 179.238 2.579 10 0 AFAERO COCC(C)(C)[NH2+][C@@H](C)CCC1CC1 308616419 573541857 /nfs/dbraw/zinc/54/18/57/573541857.db2.gz RVOYTSXMKZDSOF-JTQLQIEISA-N 1 0 199.338 2.580 10 0 AFAERO CCC(C)(C)[NH2+][C@@H](C)[C@@H]1CCCOC1 308614686 573538842 /nfs/dbraw/zinc/53/88/42/573538842.db2.gz RLDPHAQXTMXZQO-WDEREUQCSA-N 1 0 199.338 2.580 10 0 AFAERO CC[C@H](C)C[C@H]([NH3+])CC1CCOCC1 126389123 573543352 /nfs/dbraw/zinc/54/33/52/573543352.db2.gz GQEASBOGFJSZMT-JQWIXIFHSA-N 1 0 199.338 2.567 10 0 AFAERO C[C@@H]1[NH2+][C@@]2(CCCC[C@@H]2C)OC1(C)C 238430775 573538346 /nfs/dbraw/zinc/53/83/46/573538346.db2.gz YCGWPTMRDFIXPY-NHCYSSNCSA-N 1 0 197.322 2.680 10 0 AFAERO CCO[C@@](C)(C[NH3+])CC1CCCCC1 257824097 573538423 /nfs/dbraw/zinc/53/84/23/573538423.db2.gz FBRAFZCGCKTNEF-GFCCVEGCSA-N 1 0 199.338 2.711 10 0 AFAERO C[C@@H](C[NH3+])[C@@](C)(F)C1CCCCC1 257829192 573538482 /nfs/dbraw/zinc/53/84/82/573538482.db2.gz IPHPZRKGPAHGNS-GXSJLCMTSA-N 1 0 187.302 2.890 10 0 AFAERO COCC(C)(C)[NH2+][C@H](C)CCC1CC1 308616420 573538545 /nfs/dbraw/zinc/53/85/45/573538545.db2.gz RVOYTSXMKZDSOF-SNVBAGLBSA-N 1 0 199.338 2.580 10 0 AFAERO CCC1CC([NH2+]CCCOC(C)C)C1 308614731 573538623 /nfs/dbraw/zinc/53/86/23/573538623.db2.gz RNBADKPIBSDAHN-UHFFFAOYSA-N 1 0 199.338 2.580 10 0 AFAERO CSCCCC[NH2+]C/C=C\C1CC1 393640674 573538663 /nfs/dbraw/zinc/53/86/63/573538663.db2.gz VROCYEAQJBEENC-PLNGDYQASA-N 1 0 199.363 2.685 10 0 AFAERO CCc1cccc([C@@H](F)CC[NH3+])c1 130427157 573538671 /nfs/dbraw/zinc/53/86/71/573538671.db2.gz FPZVWIYPIJLBCA-NSHDSACASA-N 1 0 181.254 2.608 10 0 AFAERO CC1(C)C[C@]1(C[NH3+])C[C@@H]1CCCS1 715867428 573538720 /nfs/dbraw/zinc/53/87/20/573538720.db2.gz NGSGGZDIYXORIF-ONGXEEELSA-N 1 0 199.363 2.647 10 0 AFAERO [NH3+]Cc1cnoc1C1CCCCCC1 257824338 573538763 /nfs/dbraw/zinc/53/87/63/573538763.db2.gz GTQMXZVWRQNWQR-UHFFFAOYSA-N 1 0 194.278 2.571 10 0 AFAERO CC1(C)C[C@@]1(C[NH3+])C[C@H]1CCCS1 715867426 573538810 /nfs/dbraw/zinc/53/88/10/573538810.db2.gz NGSGGZDIYXORIF-MWLCHTKSSA-N 1 0 199.363 2.647 10 0 AFAERO C[C@H](C[NH3+])[C@@](C)(F)C1CCCCC1 257829194 573538812 /nfs/dbraw/zinc/53/88/12/573538812.db2.gz IPHPZRKGPAHGNS-MWLCHTKSSA-N 1 0 187.302 2.890 10 0 AFAERO Cc1cccc2c1C=C([C@H](C)[NH3+])CC2 257829426 573538983 /nfs/dbraw/zinc/53/89/83/573538983.db2.gz IVVMQAMCUIIWPT-JTQLQIEISA-N 1 0 187.286 2.672 10 0 AFAERO [NH3+]C1([C@@H](F)c2ccccc2)CCC1 257829063 573539071 /nfs/dbraw/zinc/53/90/71/573539071.db2.gz IRCVBLGLCXSNIO-JTQLQIEISA-N 1 0 179.238 2.579 10 0 AFAERO CC[C@@H](C[NH2+]Cc1cc[nH]c1)C(C)C 308615500 573539129 /nfs/dbraw/zinc/53/91/29/573539129.db2.gz RQFLYHPISAZCEN-LBPRGKRZSA-N 1 0 194.322 2.787 10 0 AFAERO C[C@]1(C2CCCCCC2)CC[NH2+]C1 257829009 573539139 /nfs/dbraw/zinc/53/91/39/573539139.db2.gz IPBLSSZIOZQEEH-LBPRGKRZSA-N 1 0 181.323 2.956 10 0 AFAERO [NH3+]C1(CC[C@H]2CCCO2)CCCCC1 83528855 573539220 /nfs/dbraw/zinc/53/92/20/573539220.db2.gz PQVLOBOVYQUXEO-LLVKDONJSA-N 1 0 197.322 2.607 10 0 AFAERO C[NH2+]CC[C@](C)(F)c1cccc(C)c1 257829283 573539257 /nfs/dbraw/zinc/53/92/57/573539257.db2.gz ISCHAKDMOBAEHR-LBPRGKRZSA-N 1 0 195.281 2.789 10 0 AFAERO CCC(C)(C)[NH2+][C@@H](C)[C@H]1CCCOC1 308614684 573539275 /nfs/dbraw/zinc/53/92/75/573539275.db2.gz RLDPHAQXTMXZQO-QWRGUYRKSA-N 1 0 199.338 2.580 10 0 AFAERO Cc1cccc2c1C=C([C@@H](C)[NH3+])CC2 257829429 573539408 /nfs/dbraw/zinc/53/94/08/573539408.db2.gz IVVMQAMCUIIWPT-SNVBAGLBSA-N 1 0 187.286 2.672 10 0 AFAERO C[C@@H](C1CC1)[C@H]([NH3+])CC1CCCC1 126466914 573539503 /nfs/dbraw/zinc/53/95/03/573539503.db2.gz BDRVUQCIRULUMM-JOYOIKCWSA-N 1 0 181.323 2.940 10 0 AFAERO [NH3+]C1(CC[C@@H]2CCCO2)CCCCC1 83528854 573539526 /nfs/dbraw/zinc/53/95/26/573539526.db2.gz PQVLOBOVYQUXEO-NSHDSACASA-N 1 0 197.322 2.607 10 0 AFAERO CSc1cc(/C=C/C[NH3+])ccc1F 258056330 573539571 /nfs/dbraw/zinc/53/95/71/573539571.db2.gz LBPYEHLOGDEPFW-NSCUHMNNSA-N 1 0 197.278 2.520 10 0 AFAERO C[C@@H](C[NH3+])[C@](C)(F)C1CCCCC1 257829195 573539763 /nfs/dbraw/zinc/53/97/63/573539763.db2.gz IPHPZRKGPAHGNS-ONGXEEELSA-N 1 0 187.302 2.890 10 0 AFAERO CC[C@H](C[NH2+]Cc1cc[nH]c1)C(C)C 308615499 573540255 /nfs/dbraw/zinc/54/02/55/573540255.db2.gz RQFLYHPISAZCEN-GFCCVEGCSA-N 1 0 194.322 2.787 10 0 AFAERO FC(F)[C@H]1[NH2+]CCC12CCCCC2 257829208 573540792 /nfs/dbraw/zinc/54/07/92/573540792.db2.gz IPNQALPLXFVZAE-MRVPVSSYSA-N 1 0 189.249 2.564 10 0 AFAERO FC(F)[C@@H]1[NH2+]CCC12CCCCC2 257829209 573540390 /nfs/dbraw/zinc/54/03/90/573540390.db2.gz IPNQALPLXFVZAE-QMMMGPOBSA-N 1 0 189.249 2.564 10 0 AFAERO CCc1cccc([C@@](C)(F)C[NH2+]C)c1 257824208 573540666 /nfs/dbraw/zinc/54/06/66/573540666.db2.gz FYKWJOXUSOEIRI-LBPRGKRZSA-N 1 0 195.281 2.653 10 0 AFAERO C[C@H](C1CC1)[C@@H]([NH3+])CC1CCCC1 126467626 573540672 /nfs/dbraw/zinc/54/06/72/573540672.db2.gz BDRVUQCIRULUMM-SKDRFNHKSA-N 1 0 181.323 2.940 10 0 AFAERO CC[C@H](C)[NH2+][C@@H]1CCCCC[C@@H]1OC 130426676 573540810 /nfs/dbraw/zinc/54/08/10/573540810.db2.gz JKRJEDIFTZDIFI-TUAOUCFPSA-N 1 0 199.338 2.722 10 0 AFAERO CC[C@H](C)[NH2+][C@H]1CCCCC[C@@H]1OC 130427107 573540841 /nfs/dbraw/zinc/54/08/41/573540841.db2.gz JKRJEDIFTZDIFI-SRVKXCTJSA-N 1 0 199.338 2.722 10 0 AFAERO C[C@@H](C1CC1)[C@@H]([NH3+])CC1CCCC1 126467360 573540941 /nfs/dbraw/zinc/54/09/41/573540941.db2.gz BDRVUQCIRULUMM-CABZTGNLSA-N 1 0 181.323 2.940 10 0 AFAERO CC[C@H](C)C[C@@H]([NH3+])CC1CCOCC1 126389582 573540970 /nfs/dbraw/zinc/54/09/70/573540970.db2.gz GQEASBOGFJSZMT-CMPLNLGQSA-N 1 0 199.338 2.567 10 0 AFAERO COC(C)(C)C[C@@H](C)C[NH2+]C1CCC1 393640992 573541038 /nfs/dbraw/zinc/54/10/38/573541038.db2.gz VXCZGSPVKCBRRE-SNVBAGLBSA-N 1 0 199.338 2.580 10 0 AFAERO CC[C@](C)(C[NH3+])c1cc(F)cc(F)c1 259499593 573541073 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193.265 2.757 10 0 AFAERO C[NH2+]C(C)(C)C1=CCc2ccccc21 257824466 573544175 /nfs/dbraw/zinc/54/41/75/573544175.db2.gz GVLBFGXOELSXTJ-UHFFFAOYSA-N 1 0 187.286 2.624 10 0 AFAERO C[NH2+][C@@H](C)C[C@@H](F)c1cccc(F)c1 257825218 573545085 /nfs/dbraw/zinc/54/50/85/573545085.db2.gz FMUFZFCIQFXILP-GZMMTYOYSA-N 1 0 199.244 2.834 10 0 AFAERO CC(C)c1cnoc1[C@@H]1CCCC[NH2+]1 107359996 573545088 /nfs/dbraw/zinc/54/50/88/573545088.db2.gz RZAOWYKFHMLOHM-JTQLQIEISA-N 1 0 194.278 2.613 10 0 AFAERO CC(C)C[C@H](F)C[C@H]1CCC[NH2+]1 257825081 573545095 /nfs/dbraw/zinc/54/50/95/573545095.db2.gz GZYLEFMMAJBIHM-VHSXEESVSA-N 1 0 173.275 2.513 10 0 AFAERO FC(F)(C1CCCC1)[C@H]1CCC[NH2+]1 257824783 573545129 /nfs/dbraw/zinc/54/51/29/573545129.db2.gz GYQACYLBKRWAHA-SECBINFHSA-N 1 0 189.249 2.564 10 0 AFAERO Cc1ccc([C@]2([NH3+])CCC[C@H]2C)cc1 86658591 573545195 /nfs/dbraw/zinc/54/51/95/573545195.db2.gz QFJSYWFOSHGERZ-YPMHNXCESA-N 1 0 189.302 2.969 10 0 AFAERO C[NH2+][C@H](C)C[C@@H](F)c1cccc(F)c1 257825221 573545206 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187.286 2.672 10 0 AFAERO CC(C)c1cnoc1[C@H]1CCCC[NH2+]1 107359999 573545668 /nfs/dbraw/zinc/54/56/68/573545668.db2.gz RZAOWYKFHMLOHM-SNVBAGLBSA-N 1 0 194.278 2.613 10 0 AFAERO C[C@H]1CCC[C@@]1([NH3+])c1ccccc1 86658528 573545706 /nfs/dbraw/zinc/54/57/06/573545706.db2.gz HKGWLLAKOKYZQK-JQWIXIFHSA-N 1 0 175.275 2.661 10 0 AFAERO [NH3+]CCc1cc(Cl)cc2ccoc12 107363444 573545769 /nfs/dbraw/zinc/54/57/69/573545769.db2.gz CZEOTHBKLVHHRB-UHFFFAOYSA-N 1 0 195.649 2.587 10 0 AFAERO CC1(C)C[C@H](F)[C@@H]2CCC[NH2+][C@H]2C1 257826427 573549072 /nfs/dbraw/zinc/54/90/72/573549072.db2.gz HLXNKCGOAKVGCJ-GUBZILKMSA-N 1 0 185.286 2.513 10 0 AFAERO Cc1ccc(F)c(C2=C[C@@H]([NH3+])CC2)c1 83548131 573549085 /nfs/dbraw/zinc/54/90/85/573549085.db2.gz ALZCFQUMEXXJLC-JTQLQIEISA-N 1 0 191.249 2.639 10 0 AFAERO C[C@@H]1CCC[C@@]1([NH3+])c1ccccc1 86658527 573546916 /nfs/dbraw/zinc/54/69/16/573546916.db2.gz HKGWLLAKOKYZQK-PWSUYJOCSA-N 1 0 175.275 2.661 10 0 AFAERO Cc1cccc(C2=C[C@H]([NH3+])CC2)c1C 83548397 573546917 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181.323 2.953 10 0 AFAERO CSc1ccccc1[C@@](C)(F)C[NH3+] 257825537 573547494 /nfs/dbraw/zinc/54/74/94/573547494.db2.gz GQOFEJBUIZEYBZ-JTQLQIEISA-N 1 0 199.294 2.552 10 0 AFAERO C[C@H]1CCC[C@@]1([NH3+])c1cccc(F)c1 86658560 573547515 /nfs/dbraw/zinc/54/75/15/573547515.db2.gz UFFIGIMVNPIBID-CABZTGNLSA-N 1 0 193.265 2.800 10 0 AFAERO Cc1ccc(C2=C[C@H]([NH3+])CC2)cc1C 83548393 573547558 /nfs/dbraw/zinc/54/75/58/573547558.db2.gz ZTMXBRZIPUAXIF-CYBMUJFWSA-N 1 0 187.286 2.808 10 0 AFAERO C[C@H]1CCC[C@@]1([NH3+])c1cccs1 86658620 573547604 /nfs/dbraw/zinc/54/76/04/573547604.db2.gz MDCMONWAYSQKBU-WPRPVWTQSA-N 1 0 181.304 2.722 10 0 AFAERO CC(C)(C)CCC1=C[C@@H]([NH3+])CC1 83548030 573547640 /nfs/dbraw/zinc/54/76/40/573547640.db2.gz PNSKQJDQTSAWKY-JTQLQIEISA-N 1 0 167.296 2.860 10 0 AFAERO C[C@H]1CCC[C@]1([NH3+])c1ccc(F)cc1 86658538 573547759 /nfs/dbraw/zinc/54/77/59/573547759.db2.gz XIYWBFLUYDSBLQ-JOYOIKCWSA-N 1 0 193.265 2.800 10 0 AFAERO Cc1cccc(CC2=C[C@@H]([NH3+])CC2)c1 83548464 573549133 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2.527 10 0 AFAERO C/C(=C/CC[C@H]1CCCO1)CCC[NH3+] 308637358 573582795 /nfs/dbraw/zinc/58/27/95/573582795.db2.gz BLOBOXACFHPDQC-QJGQKNTRSA-N 1 0 197.322 2.631 10 0 AFAERO C1CCC2(CC2)[C@H]2[NH2+]CCC[C@H]2C1 107411765 573582838 /nfs/dbraw/zinc/58/28/38/573582838.db2.gz CJEDEQRXFHZVJN-MNOVXSKESA-N 1 0 179.307 2.709 10 0 AFAERO CC[NH2+]C[C@H]1CCC[C@@H](C(C)(C)C)O1 308638212 573582903 /nfs/dbraw/zinc/58/29/03/573582903.db2.gz BTSMGIBSELQQAI-MNOVXSKESA-N 1 0 199.338 2.580 10 0 AFAERO Cc1cc2c(C[C@@H](C)[NH3+])cccc2o1 258066495 573582913 /nfs/dbraw/zinc/58/29/13/573582913.db2.gz MAWXEMBAZJDZGL-MRVPVSSYSA-N 1 0 189.258 2.631 10 0 AFAERO CCc1ccc([C@@H](F)CC[NH3+])cc1 130462000 573583545 /nfs/dbraw/zinc/58/35/45/573583545.db2.gz SMQPIMNPFVZJTO-NSHDSACASA-N 1 0 181.254 2.608 10 0 AFAERO C1C[NH2+][C@H]2[C@@H](C1)CCCC21CCC1 107411754 573583141 /nfs/dbraw/zinc/58/31/41/573583141.db2.gz PVKVRDDEMGYLHF-MNOVXSKESA-N 1 0 179.307 2.709 10 0 AFAERO Cc1cc2cc([C@@H](C)[NH3+])c(F)cc2[nH]1 144442462 573583147 /nfs/dbraw/zinc/58/31/47/573583147.db2.gz NVBTVIFKHSAQQP-SSDOTTSWSA-N 1 0 192.237 2.635 10 0 AFAERO C[C@H](Cc1ccccc1)C(C)(C)[NH3+] 107409296 573583258 /nfs/dbraw/zinc/58/32/58/573583258.db2.gz ZIHNAMXCRMODNS-SNVBAGLBSA-N 1 0 177.291 2.603 10 0 AFAERO CCCCn1ccc(C[NH2+]C)c1CC 308637323 573583394 /nfs/dbraw/zinc/58/33/94/573583394.db2.gz BKTWVBHXPANKFZ-UHFFFAOYSA-N 1 0 194.322 2.570 10 0 AFAERO C1C[NH2+][C@@H]2C[C@@H]3CCC[C@@H]3C[C@@H]2C1 107411728 573583409 /nfs/dbraw/zinc/58/34/09/573583409.db2.gz DSIRHBWPLIHXHH-NOOOWODRSA-N 1 0 179.307 2.565 10 0 AFAERO C/C(=C\CC[C@H]1CCCO1)CCC[NH3+] 308637354 573584454 /nfs/dbraw/zinc/58/44/54/573584454.db2.gz BLOBOXACFHPDQC-JVOXIWMLSA-N 1 0 197.322 2.631 10 0 AFAERO C1CCC2(CC2)[C@@H]2[NH2+]CCC[C@@H]2C1 107411763 573584468 /nfs/dbraw/zinc/58/44/68/573584468.db2.gz CJEDEQRXFHZVJN-WDEREUQCSA-N 1 0 179.307 2.709 10 0 AFAERO C[C@H]1CC[C@@H](C2CCCCC2)[NH2+]1 238442154 573584493 /nfs/dbraw/zinc/58/44/93/573584493.db2.gz PWERWSCQGXYOBI-ONGXEEELSA-N 1 0 167.296 2.707 10 0 AFAERO C1C[NH2+][C@@H]2[C@H](C1)CCCC21CCC1 107411759 573584541 /nfs/dbraw/zinc/58/45/41/573584541.db2.gz PVKVRDDEMGYLHF-WDEREUQCSA-N 1 0 179.307 2.709 10 0 AFAERO CCC[C@H]([NH2+]C)c1cccc(NC)c1 259520113 573584757 /nfs/dbraw/zinc/58/47/57/573584757.db2.gz UANDNDSPQWOZPN-LBPRGKRZSA-N 1 0 192.306 2.789 10 0 AFAERO CC1(C[NH2+]C/C=C\c2ccco2)CC1 308637963 573584803 /nfs/dbraw/zinc/58/48/03/573584803.db2.gz CYZBSRHNGFPAQG-RQOWECAXSA-N 1 0 191.274 2.683 10 0 AFAERO C[C@H](CCCC[NH3+])CC[C@H]1CCCO1 308638755 573584811 /nfs/dbraw/zinc/58/48/11/573584811.db2.gz CAEZPDVEYAZNCT-VXGBXAGGSA-N 1 0 199.338 2.711 10 0 AFAERO [NH2+]=C(NC1CC1)SCC1CCCC1 308403811 573584897 /nfs/dbraw/zinc/58/48/97/573584897.db2.gz KJNMNNVXJFGSPD-UHFFFAOYSA-N 1 0 198.335 2.597 10 0 AFAERO COc1sccc1[C@H]1CCCC[NH2+]1 238442152 573584965 /nfs/dbraw/zinc/58/49/65/573584965.db2.gz RHMBCSYOGBMOCG-SECBINFHSA-N 1 0 197.303 2.571 10 0 AFAERO C[C@@H](CCCC[NH3+])CC1CCOCC1 308639618 573585445 /nfs/dbraw/zinc/58/54/45/573585445.db2.gz CJJWEXCCWOBTQA-NSHDSACASA-N 1 0 199.338 2.568 10 0 AFAERO CCc1ccc([C@H](F)CC[NH3+])cc1 130461779 573585391 /nfs/dbraw/zinc/58/53/91/573585391.db2.gz SMQPIMNPFVZJTO-LLVKDONJSA-N 1 0 181.254 2.608 10 0 AFAERO C1C[NH2+][C@H]2[C@H](C1)CCC21CCCC1 107411746 573585398 /nfs/dbraw/zinc/58/53/98/573585398.db2.gz UMZDQFBHTFEPDD-MNOVXSKESA-N 1 0 179.307 2.709 10 0 AFAERO C[C@H]1c2ccccc2CC(C)(C)[C@@H]1[NH3+] 238441763 573587088 /nfs/dbraw/zinc/58/70/88/573587088.db2.gz XJAUAYYETDPIMF-JOYOIKCWSA-N 1 0 189.302 2.700 10 0 AFAERO C[C@]1(C2CCC2)CC(F)(F)CC[NH2+]1 258807496 573586604 /nfs/dbraw/zinc/58/66/04/573586604.db2.gz HTYIDCKKPFZRHJ-SECBINFHSA-N 1 0 189.249 2.564 10 0 AFAERO Cc1ccc(C2CCC([NH3+])CC2)o1 259117662 573586657 /nfs/dbraw/zinc/58/66/57/573586657.db2.gz GCADUAGNBUEBEB-UHFFFAOYSA-N 1 0 179.263 2.573 10 0 AFAERO C[C@H](Cc1ccccc1)[C@H]1CCC[NH2+]1 107419861 573586675 /nfs/dbraw/zinc/58/66/75/573586675.db2.gz XWKPTHXEMRQZIA-DGCLKSJQSA-N 1 0 189.302 2.617 10 0 AFAERO CC[C@@]1(Cc2ccc(C)cc2)CC[NH2+]1 258411771 573586704 /nfs/dbraw/zinc/58/67/04/573586704.db2.gz ZPVJJWDYVYYNQW-ZDUSSCGKSA-N 1 0 189.302 2.680 10 0 AFAERO C[NH2+][C@H]1c2ccccc2CCC12CC2 107418990 573586751 /nfs/dbraw/zinc/58/67/51/573586751.db2.gz RBALIBGGTDSGDC-LBPRGKRZSA-N 1 0 187.286 2.674 10 0 AFAERO C[C@@H](C[C@H]1CCC[NH2+]1)C1CCCC1 107414183 573586779 /nfs/dbraw/zinc/58/67/79/573586779.db2.gz PHIUTBFQTOXSHW-CMPLNLGQSA-N 1 0 181.323 2.955 10 0 AFAERO Cc1ccccc1[C@H](C)[C@@H]1CCC[NH2+]1 107419887 573586809 /nfs/dbraw/zinc/58/68/09/573586809.db2.gz JHOMZTKXXKBHLD-AAEUAGOBSA-N 1 0 189.302 2.851 10 0 AFAERO C[C@@H](CC1CCCC1)[C@@H]1CCC[NH2+]1 107414167 573586820 /nfs/dbraw/zinc/58/68/20/573586820.db2.gz SMFJWEFMMCUGPU-JQWIXIFHSA-N 1 0 181.323 2.955 10 0 AFAERO [NH3+][C@@H]1c2ccccc2CCC12CCC2 107418992 573586886 /nfs/dbraw/zinc/58/68/86/573586886.db2.gz CJYCIQUEKIPUEN-GFCCVEGCSA-N 1 0 187.286 2.803 10 0 AFAERO F[C@@H](C1CCC1)[C@H]1CCC[NH2+]CC1 257833589 573586969 /nfs/dbraw/zinc/58/69/69/573586969.db2.gz KIGPVRJTEHMVIE-QWRGUYRKSA-N 1 0 185.286 2.514 10 0 AFAERO CC1(C2CC[NH2+]CC2)CCCCC1 107414134 573586989 /nfs/dbraw/zinc/58/69/89/573586989.db2.gz MCQCEFFNPOWVGB-UHFFFAOYSA-N 1 0 181.323 2.956 10 0 AFAERO COc1sccc1[C@@H]1CCCC[NH2+]1 238441956 573587007 /nfs/dbraw/zinc/58/70/07/573587007.db2.gz RHMBCSYOGBMOCG-VIFPVBQESA-N 1 0 197.303 2.571 10 0 AFAERO CC(C)[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 107414359 573588147 /nfs/dbraw/zinc/58/81/47/573588147.db2.gz ROTXUBLQKLGEAV-NEPJUHHUSA-N 1 0 181.323 2.812 10 0 AFAERO C1CCC2(CC1)CCC[NH2+]C21CC1 257833585 573588159 /nfs/dbraw/zinc/58/81/59/573588159.db2.gz KIGLZLPEPFYXGZ-UHFFFAOYSA-N 1 0 179.307 2.853 10 0 AFAERO C[NH2+][C@@H]1c2cc(F)ccc2[C@@H](C)[C@H]1C 86719271 573588163 /nfs/dbraw/zinc/58/81/63/573588163.db2.gz AZJPTNFQRLIELB-SXMVTHIZSA-N 1 0 193.265 2.839 10 0 AFAERO CCc1ccc2c(c1)[C@@H]([NH2+]C)[C@@H](C)C2 86719071 573588375 /nfs/dbraw/zinc/58/83/75/573588375.db2.gz RLLBTZSPLUDNPN-ZANVPECISA-N 1 0 189.302 2.702 10 0 AFAERO CC(C)[C@]1([NH3+])C[C@@H]1c1ccccc1 144454330 573588419 /nfs/dbraw/zinc/58/84/19/573588419.db2.gz DBOYOHXQLBCZAO-VXGBXAGGSA-N 1 0 175.275 2.527 10 0 AFAERO C[C@@H]1CCc2ccccc2[C@@H]([NH3+])[C@@H]1C 86718840 573588453 /nfs/dbraw/zinc/58/84/53/573588453.db2.gz OSLDHSIAPYGXFG-BREBYQMCSA-N 1 0 189.302 2.905 10 0 AFAERO C[NH2+][C@H]1c2ccc(C)c(C)c2C[C@@H]1C 86719003 573588470 /nfs/dbraw/zinc/58/84/70/573588470.db2.gz WDVHHDIMHPAYGY-TVQRCGJNSA-N 1 0 189.302 2.756 10 0 AFAERO C[NH2+][C@@H]1c2cc(F)cc(C)c2C[C@H]1C 86719212 573588495 /nfs/dbraw/zinc/58/84/95/573588495.db2.gz YTXKFNUTDOPRCM-PELKAZGASA-N 1 0 193.265 2.587 10 0 AFAERO Cc1ccc2c(c1)[C@H]([NH3+])[C@H](C)[C@@H]2C 86718682 573588513 /nfs/dbraw/zinc/58/85/13/573588513.db2.gz FIIFJRCPOXZBFB-YGOYTEALSA-N 1 0 175.275 2.748 10 0 AFAERO C[C@H](C1CCCCC1)[C@@H]1CCC[NH2+]1 107414317 573588530 /nfs/dbraw/zinc/58/85/30/573588530.db2.gz MHYCHQYTHKJGJZ-PWSUYJOCSA-N 1 0 181.323 2.955 10 0 AFAERO CC[C@@H]1c2ccccc2[C@@H]([NH3+])[C@@H]1C 86718861 573588534 /nfs/dbraw/zinc/58/85/34/573588534.db2.gz FEWWVOHFLVJLSN-PTRXPTGYSA-N 1 0 175.275 2.830 10 0 AFAERO CC(C)[C@@H]1CC[C@@H]2CCC[NH2+][C@@H]2C1 107414333 573588547 /nfs/dbraw/zinc/58/85/47/573588547.db2.gz ANSIEGDJUCIHQV-QJPTWQEYSA-N 1 0 181.323 2.811 10 0 AFAERO CCc1cccc2c1C[C@H](C)[C@@H]2[NH2+]C 86718955 573588551 /nfs/dbraw/zinc/58/85/51/573588551.db2.gz SONPYIJLKFTVOA-ZANVPECISA-N 1 0 189.302 2.702 10 0 AFAERO C[C@H]([NH3+])c1onc2ccc(Cl)cc12 257833751 573588555 /nfs/dbraw/zinc/58/85/55/573588555.db2.gz KECDAZHZYROWBT-YFKPBYRVSA-N 1 0 196.637 2.501 10 0 AFAERO C[NH2+][C@@H]1c2ccccc2C[C@@H](C)[C@H]1C 86719090 573588562 /nfs/dbraw/zinc/58/85/62/573588562.db2.gz FVOGJKIXELPCGN-BREBYQMCSA-N 1 0 189.302 2.775 10 0 AFAERO CC[NH2+][C@@H]1c2cccc(F)c2C[C@@H]1C 86719805 573588594 /nfs/dbraw/zinc/58/85/94/573588594.db2.gz VATXDAVYMAQMJA-UFBFGSQYSA-N 1 0 193.265 2.669 10 0 AFAERO CC1CCC(C[C@@H]2CCC[NH2+]2)CC1 107414161 573588608 /nfs/dbraw/zinc/58/86/08/573588608.db2.gz QWAXMBSMFNTQMX-MCIGGMRASA-N 1 0 181.323 2.955 10 0 AFAERO CC1(C)CCCC[C@H]2CCC[NH2+][C@H]21 107414354 573588616 /nfs/dbraw/zinc/58/86/16/573588616.db2.gz BHBKROLUMFOZOJ-WDEREUQCSA-N 1 0 181.323 2.955 10 0 AFAERO C[C@@H](C1CCCCC1)[C@H]1CCC[NH2+]1 107414321 573588621 /nfs/dbraw/zinc/58/86/21/573588621.db2.gz MHYCHQYTHKJGJZ-CMPLNLGQSA-N 1 0 181.323 2.955 10 0 AFAERO C[C@H](c1cccc(F)c1)C(C)(C)[NH3+] 107413592 573588627 /nfs/dbraw/zinc/58/86/27/573588627.db2.gz PHKGZCGJCNVSBM-MRVPVSSYSA-N 1 0 181.254 2.667 10 0 AFAERO C[NH2+][C@H]1c2c(C)ccc(C)c2C[C@@H]1C 86719401 573588631 /nfs/dbraw/zinc/58/86/31/573588631.db2.gz WDTHFKKKCLILTA-GXFFZTMASA-N 1 0 189.302 2.756 10 0 AFAERO CC[NH2+][C@@H]1c2cc(F)ccc2C[C@H]1C 86719681 573588634 /nfs/dbraw/zinc/58/86/34/573588634.db2.gz CHQCZJXXKSILBZ-PELKAZGASA-N 1 0 193.265 2.669 10 0 AFAERO C[NH2+][C@@H]1c2ccccc2[C@@H](C)[C@H]1C 86719178 573588672 /nfs/dbraw/zinc/58/86/72/573588672.db2.gz YRGOGUNYRIVWPG-SBMIAAHKSA-N 1 0 175.275 2.700 10 0 AFAERO C/C(=C/[C@H]1CCC(C)(C)O1)CCC[NH3+] 308640945 573588674 /nfs/dbraw/zinc/58/86/74/573588674.db2.gz DAAUYFXRNSGQQV-DWOQACPDSA-N 1 0 197.322 2.629 10 0 AFAERO C[C@H]1[C@@H]2CCCc3cccc(c32)[C@@H]1[NH3+] 86718378 573589618 /nfs/dbraw/zinc/58/96/18/573589618.db2.gz AONNFNDRGCYBTN-GMOODISLSA-N 1 0 187.286 2.756 10 0 AFAERO CC[NH2+][C@@H]1c2cc(C)ccc2C[C@H]1C 86719540 573589895 /nfs/dbraw/zinc/58/98/95/573589895.db2.gz FCJDNGOFUJSSID-MFKMUULPSA-N 1 0 189.302 2.838 10 0 AFAERO [NH3+]Cc1cccc([C@@H]2CC[C@@H]2CF)c1 259520893 573589432 /nfs/dbraw/zinc/58/94/32/573589432.db2.gz AFYROTBGYWKYPH-NEPJUHHUSA-N 1 0 193.265 2.608 10 0 AFAERO C[C@@H](c1cccc(F)c1)C(C)(C)[NH3+] 107413588 573589436 /nfs/dbraw/zinc/58/94/36/573589436.db2.gz PHKGZCGJCNVSBM-QMMMGPOBSA-N 1 0 181.254 2.667 10 0 AFAERO CCc1ccc2c(c1)[C@H]([NH2+]C)[C@@H](C)C2 86719070 573589437 /nfs/dbraw/zinc/58/94/37/573589437.db2.gz RLLBTZSPLUDNPN-TVQRCGJNSA-N 1 0 189.302 2.702 10 0 AFAERO C[C@@H]1Cc2ccccc2[C@@H]([NH3+])[C@@H]1C 86718532 573589446 /nfs/dbraw/zinc/58/94/46/573589446.db2.gz JEMHVCVZBVPIOU-LNLATYFQSA-N 1 0 175.275 2.515 10 0 AFAERO F[C@H](C1CCC1)[C@@H]1CCC[NH2+]CC1 257833587 573589454 /nfs/dbraw/zinc/58/94/54/573589454.db2.gz KIGPVRJTEHMVIE-GHMZBOCLSA-N 1 0 185.286 2.514 10 0 AFAERO CC(C)[C@@H](C1CC1)[C@H]1CCC[NH2+]C1 107414233 573589469 /nfs/dbraw/zinc/58/94/69/573589469.db2.gz VEXRMNZTZGRNGZ-RYUDHWBXSA-N 1 0 181.323 2.668 10 0 AFAERO C[C@@H](C1CCCC1)[C@H]1CCC[NH2+]C1 107414221 573589505 /nfs/dbraw/zinc/58/95/05/573589505.db2.gz MZOXDMGNHVOTKX-JQWIXIFHSA-N 1 0 181.323 2.812 10 0 AFAERO C[NH2+][C@@H]1c2ccccc2[C@H](C)[C@H]1C 86719180 573589613 /nfs/dbraw/zinc/58/96/13/573589613.db2.gz YRGOGUNYRIVWPG-LNLATYFQSA-N 1 0 175.275 2.700 10 0 AFAERO C[NH2+]C[C@@H]1CCCCC12CCCC2 107414528 573589623 /nfs/dbraw/zinc/58/96/23/573589623.db2.gz QIPOPFYUYPOWSC-NSHDSACASA-N 1 0 181.323 2.956 10 0 AFAERO Cc1oc2c(C)cccc2c1CC[NH3+] 107419650 573589640 /nfs/dbraw/zinc/58/96/40/573589640.db2.gz GPADUDKXNHQJQD-UHFFFAOYSA-N 1 0 189.258 2.551 10 0 AFAERO CC[C@@H]1c2ccc(F)cc2[C@@H]([NH3+])[C@@H]1C 86718635 573589661 /nfs/dbraw/zinc/58/96/61/573589661.db2.gz JLWPFLSNJFZOGR-FDOIEUKUSA-N 1 0 193.265 2.969 10 0 AFAERO C[NH2+][C@@H]1c2c(C)cc(C)cc2C[C@@H]1C 86719073 573589677 /nfs/dbraw/zinc/58/96/77/573589677.db2.gz ISTAFVVXYMHWCU-GWCFXTLKSA-N 1 0 189.302 2.756 10 0 AFAERO C[C@@H]1c2ccc(F)cc2[C@@H]([NH3+])[C@@H]1C 86718720 573589684 /nfs/dbraw/zinc/58/96/84/573589684.db2.gz PIYVOFUNXLKCJC-CVJICSNFSA-N 1 0 179.238 2.579 10 0 AFAERO CC[NH2+][C@H]1c2cccc(C)c2C[C@H]1C 86719631 573589693 /nfs/dbraw/zinc/58/96/93/573589693.db2.gz XTQKQVSQMIQXMM-ZWNOBZJWSA-N 1 0 189.302 2.838 10 0 AFAERO C[NH2+]C[C@H]1CC[C@](C)(CCC(C)C)O1 308641267 573589704 /nfs/dbraw/zinc/58/97/04/573589704.db2.gz DEKHIMKYVGBYRS-NEPJUHHUSA-N 1 0 199.338 2.580 10 0 AFAERO CCCc1ccc([C@@H](F)CC[NH3+])cc1 130463379 573589725 /nfs/dbraw/zinc/58/97/25/573589725.db2.gz MCPQMASPCVMKHX-LBPRGKRZSA-N 1 0 195.281 2.999 10 0 AFAERO C[NH2+][C@@H]1c2ccc(C)c(C)c2C[C@H]1C 86719002 573589745 /nfs/dbraw/zinc/58/97/45/573589745.db2.gz WDVHHDIMHPAYGY-RNCFNFMXSA-N 1 0 189.302 2.756 10 0 AFAERO C[C@H](C1CCCC1)[C@H]1CCC[NH2+]C1 107414224 573589747 /nfs/dbraw/zinc/58/97/47/573589747.db2.gz MZOXDMGNHVOTKX-PWSUYJOCSA-N 1 0 181.323 2.812 10 0 AFAERO C[C@@H]1c2c(F)ccc(F)c2[C@H]([NH3+])[C@@H]1C 86718906 573589797 /nfs/dbraw/zinc/58/97/97/573589797.db2.gz USUARQSTNCMARI-WGDKSQQYSA-N 1 0 197.228 2.718 10 0 AFAERO C[NH2+][C@H]1c2c(C)cc(C)cc2C[C@H]1C 86719078 573589820 /nfs/dbraw/zinc/58/98/20/573589820.db2.gz ISTAFVVXYMHWCU-ZWNOBZJWSA-N 1 0 189.302 2.756 10 0 AFAERO Cc1ccc2c(c1)[C@H]([NH3+])[C@@H](C)[C@@H]2C 86718686 573589827 /nfs/dbraw/zinc/58/98/27/573589827.db2.gz FIIFJRCPOXZBFB-HOTUBEGUSA-N 1 0 175.275 2.748 10 0 AFAERO C[NH2+][C@H]1c2cccc(Cl)c2C[C@@H]1C 86718942 573589939 /nfs/dbraw/zinc/58/99/39/573589939.db2.gz ZQQMVGVNCWCSQU-WRWORJQWSA-N 1 0 195.693 2.793 10 0 AFAERO C[C@H](C1CCCC1)C1CC[NH2+]CC1 107414259 573589984 /nfs/dbraw/zinc/58/99/84/573589984.db2.gz ZRSZBIQLKCLDTJ-SNVBAGLBSA-N 1 0 181.323 2.812 10 0 AFAERO [NH3+][C@H]1c2ccccc2CCC12CCC2 107418996 573589997 /nfs/dbraw/zinc/58/99/97/573589997.db2.gz CJYCIQUEKIPUEN-LBPRGKRZSA-N 1 0 187.286 2.803 10 0 AFAERO C[C@@H]1c2ccc(F)cc2[C@H]([NH3+])[C@@H]1C 86718717 573590036 /nfs/dbraw/zinc/59/00/36/573590036.db2.gz PIYVOFUNXLKCJC-MVKOHCKWSA-N 1 0 179.238 2.579 10 0 AFAERO C[C@@H](C1CCCCC1)[C@@H]1CCC[NH2+]1 107414313 573590110 /nfs/dbraw/zinc/59/01/10/573590110.db2.gz MHYCHQYTHKJGJZ-JQWIXIFHSA-N 1 0 181.323 2.955 10 0 AFAERO C[NH2+][C@H]1c2c(C)ccc(C)c2C[C@H]1C 86719403 573590120 /nfs/dbraw/zinc/59/01/20/573590120.db2.gz WDTHFKKKCLILTA-ZWNOBZJWSA-N 1 0 189.302 2.756 10 0 AFAERO C[NH2+][C@@H]1c2ccccc2CCC12CC2 107418987 573590236 /nfs/dbraw/zinc/59/02/36/573590236.db2.gz RBALIBGGTDSGDC-GFCCVEGCSA-N 1 0 187.286 2.674 10 0 AFAERO CC(C)[C@@H]1CCC[C@H]2[NH2+]CCC[C@H]12 107414341 573590262 /nfs/dbraw/zinc/59/02/62/573590262.db2.gz YJEAHOBQBXALGM-QJPTWQEYSA-N 1 0 181.323 2.811 10 0 AFAERO CC[C@H](C[NH2+]CC1(F)CC1)C(C)C 308404327 573591345 /nfs/dbraw/zinc/59/13/45/573591345.db2.gz IUXKULOJGCOQGT-SNVBAGLBSA-N 1 0 187.302 2.760 10 0 AFAERO CC[NH2+][C@@H]1c2cccc(F)c2C[C@H]1C 86719809 573591284 /nfs/dbraw/zinc/59/12/84/573591284.db2.gz VATXDAVYMAQMJA-PELKAZGASA-N 1 0 193.265 2.669 10 0 AFAERO CC[NH2+][C@@H]1c2cc(C)ccc2C[C@@H]1C 86719537 573591302 /nfs/dbraw/zinc/59/13/02/573591302.db2.gz FCJDNGOFUJSSID-GWCFXTLKSA-N 1 0 189.302 2.838 10 0 AFAERO C[NH2+][C@@H]1c2c(C)ccc(C)c2C[C@H]1C 86719399 573590996 /nfs/dbraw/zinc/59/09/96/573590996.db2.gz WDTHFKKKCLILTA-MFKMUULPSA-N 1 0 189.302 2.756 10 0 AFAERO CCc1cccc2c1C[C@H](C)[C@H]2[NH2+]C 86718960 573591019 /nfs/dbraw/zinc/59/10/19/573591019.db2.gz SONPYIJLKFTVOA-TVQRCGJNSA-N 1 0 189.302 2.702 10 0 AFAERO C[NH2+]CC1CCC2(CCCC2)CC1 107414522 573591051 /nfs/dbraw/zinc/59/10/51/573591051.db2.gz IKKAMYYXTBCUHP-UHFFFAOYSA-N 1 0 181.323 2.956 10 0 AFAERO CC[NH2+]C[C@@H](C1CCCC1)C1CC1 162167528 573591077 /nfs/dbraw/zinc/59/10/77/573591077.db2.gz OCJMZCLPAZDXHT-LBPRGKRZSA-N 1 0 181.323 2.812 10 0 AFAERO C[NH2+]C[C@@H]1CC[C@H]2CCCC[C@@H]2C1 107414518 573591078 /nfs/dbraw/zinc/59/10/78/573591078.db2.gz NPBCTPDDWLAXRE-IJLUTSLNSA-N 1 0 181.323 2.812 10 0 AFAERO C[NH2+][C@H]1c2cc(F)cc(C)c2C[C@H]1C 86719216 573591089 /nfs/dbraw/zinc/59/10/89/573591089.db2.gz YTXKFNUTDOPRCM-PRHODGIISA-N 1 0 193.265 2.587 10 0 AFAERO C[C@@H]1c2c(F)cc(F)cc2[C@@H]([NH3+])[C@@H]1C 86718903 573591090 /nfs/dbraw/zinc/59/10/90/573591090.db2.gz COJIFFZFEQPRAF-CPZGKSPBSA-N 1 0 197.228 2.718 10 0 AFAERO CC[C@@H]([NH3+])c1cc(C)c(F)c(C)c1 83685117 573591113 /nfs/dbraw/zinc/59/11/13/573591113.db2.gz PCHOFJYTIMOCAQ-SNVBAGLBSA-N 1 0 181.254 2.852 10 0 AFAERO C[NH2+][C@@H]1c2cccc(Cl)c2C[C@@H]1C 86718946 573591137 /nfs/dbraw/zinc/59/11/37/573591137.db2.gz ZQQMVGVNCWCSQU-CPCISQLKSA-N 1 0 195.693 2.793 10 0 AFAERO CC[NH2+]C[C@@H]1CC[C@@H](CC(C)(C)C)O1 308641265 573591157 /nfs/dbraw/zinc/59/11/57/573591157.db2.gz DEJSPHHGHJICMV-QWRGUYRKSA-N 1 0 199.338 2.580 10 0 AFAERO CC[NH2+][C@H]1c2cccc(F)c2C[C@H]1C 86719812 573591165 /nfs/dbraw/zinc/59/11/65/573591165.db2.gz VATXDAVYMAQMJA-PRHODGIISA-N 1 0 193.265 2.669 10 0 AFAERO CC[NH2+][C@H]1c2cc(C)ccc2C[C@@H]1C 86719539 573591172 /nfs/dbraw/zinc/59/11/72/573591172.db2.gz FCJDNGOFUJSSID-GXFFZTMASA-N 1 0 189.302 2.838 10 0 AFAERO C[C@@H](Cc1ccccc1)[C@@H]1CCC[NH2+]1 107419856 573591205 /nfs/dbraw/zinc/59/12/05/573591205.db2.gz XWKPTHXEMRQZIA-AAEUAGOBSA-N 1 0 189.302 2.617 10 0 AFAERO C[C@@H]([NH3+])c1onc2ccc(Cl)cc12 257833749 573591210 /nfs/dbraw/zinc/59/12/10/573591210.db2.gz KECDAZHZYROWBT-RXMQYKEDSA-N 1 0 196.637 2.501 10 0 AFAERO CC[NH2+][C@H]1c2cc(F)ccc2C[C@H]1C 86719683 573591342 /nfs/dbraw/zinc/59/13/42/573591342.db2.gz CHQCZJXXKSILBZ-PRHODGIISA-N 1 0 193.265 2.669 10 0 AFAERO Cc1c[nH]c([C@@H]2[NH2+]C[C@@H](C)[C@@H]2C)c1C 238454956 573591992 /nfs/dbraw/zinc/59/19/92/573591992.db2.gz DXRAQYLIGYJYTB-UBHAPETDSA-N 1 0 192.306 2.548 10 0 AFAERO C[NH2+][C@H]1c2cc(C)cc(C)c2C[C@@H]1C 86719393 573591475 /nfs/dbraw/zinc/59/14/75/573591475.db2.gz GZZUKACEIXLNMV-GXFFZTMASA-N 1 0 189.302 2.756 10 0 AFAERO C[NH2+][C@@H]1c2cc(Cl)ccc2C[C@@H]1C 86719105 573591496 /nfs/dbraw/zinc/59/14/96/573591496.db2.gz WMADQLTUISOBFO-CPCISQLKSA-N 1 0 195.693 2.793 10 0 AFAERO CC[NH2+][C@H]1c2cccc(F)c2C[C@@H]1C 86719807 573591545 /nfs/dbraw/zinc/59/15/45/573591545.db2.gz VATXDAVYMAQMJA-QPUJVOFHSA-N 1 0 193.265 2.669 10 0 AFAERO [NH3+]Cc1cccc([C@@H]2CC[C@H]2CF)c1 259520902 573591546 /nfs/dbraw/zinc/59/15/46/573591546.db2.gz AFYROTBGYWKYPH-RYUDHWBXSA-N 1 0 193.265 2.608 10 0 AFAERO C[NH2+][C@@H]1c2cc(C)cc(C)c2C[C@H]1C 86719390 573591553 /nfs/dbraw/zinc/59/15/53/573591553.db2.gz GZZUKACEIXLNMV-MFKMUULPSA-N 1 0 189.302 2.756 10 0 AFAERO C[NH2+][C@H]1c2c(C)cc(C)cc2C[C@@H]1C 86719076 573591561 /nfs/dbraw/zinc/59/15/61/573591561.db2.gz ISTAFVVXYMHWCU-GXFFZTMASA-N 1 0 189.302 2.756 10 0 AFAERO Cc1cc([C@H]([NH3+])C2CC2)cc(C)c1F 83685199 573591605 /nfs/dbraw/zinc/59/16/05/573591605.db2.gz UPWKQWPTCGJTHN-GFCCVEGCSA-N 1 0 193.265 2.852 10 0 AFAERO CC[NH2+]C[C@H]1CC[C@H](CC(C)(C)C)O1 308641263 573591623 /nfs/dbraw/zinc/59/16/23/573591623.db2.gz DEJSPHHGHJICMV-GHMZBOCLSA-N 1 0 199.338 2.580 10 0 AFAERO CC(=O)CC[NH2+]C1CCCCCCC1 308640240 573591627 /nfs/dbraw/zinc/59/16/27/573591627.db2.gz DNSHXPPAVWRTTN-UHFFFAOYSA-N 1 0 197.322 2.668 10 0 AFAERO CC[C@@H](c1ccco1)C1CC[NH2+]CC1 107425393 573591655 /nfs/dbraw/zinc/59/16/55/573591655.db2.gz NUYVZLZMRMWQHX-LLVKDONJSA-N 1 0 193.290 2.773 10 0 AFAERO CC[NH2+][C@@H]1c2cc(F)ccc2C[C@@H]1C 86719678 573591690 /nfs/dbraw/zinc/59/16/90/573591690.db2.gz CHQCZJXXKSILBZ-UFBFGSQYSA-N 1 0 193.265 2.669 10 0 AFAERO CC[NH2+]C[C@H]1CC[C@@H](CC(C)(C)C)O1 308641266 573591706 /nfs/dbraw/zinc/59/17/06/573591706.db2.gz DEJSPHHGHJICMV-WDEREUQCSA-N 1 0 199.338 2.580 10 0 AFAERO CC(C)=C[C@H]1[NH2+]CCc2ccccc21 83695395 573591709 /nfs/dbraw/zinc/59/17/09/573591709.db2.gz TWFPSJVROVCSLJ-CYBMUJFWSA-N 1 0 187.286 2.840 10 0 AFAERO C[NH2+]C[C@H]1CC[C@@](C)(CCC(C)C)O1 308641270 573591779 /nfs/dbraw/zinc/59/17/79/573591779.db2.gz DEKHIMKYVGBYRS-VXGBXAGGSA-N 1 0 199.338 2.580 10 0 AFAERO C[C@H]([NH3+])[C@H]1CCSc2ccccc21 107426717 573591803 /nfs/dbraw/zinc/59/18/03/573591803.db2.gz VWYMZYGEKTWADG-DTWKUNHWSA-N 1 0 193.315 2.613 10 0 AFAERO C[NH2+][C@H](C)c1cc(C)c(F)c(C)c1 83685238 573591812 /nfs/dbraw/zinc/59/18/12/573591812.db2.gz GNSCXNFPFWHSNO-SECBINFHSA-N 1 0 181.254 2.723 10 0 AFAERO C[C@H]1Sc2ccccc2[C@@H]1CC[NH3+] 107426699 573591825 /nfs/dbraw/zinc/59/18/25/573591825.db2.gz JRQFLLDEFPUTIX-RKDXNWHRSA-N 1 0 193.315 2.613 10 0 AFAERO Cc1c(F)c([C@@H](C)[NH3+])cc2cc[nH]c12 144486019 573591827 /nfs/dbraw/zinc/59/18/27/573591827.db2.gz XFJKNTQUFMEILG-SSDOTTSWSA-N 1 0 192.237 2.635 10 0 AFAERO C[C@H](c1ccc(F)cc1)[C@@H]1CCC[NH2+]1 107424872 573591982 /nfs/dbraw/zinc/59/19/82/573591982.db2.gz DFNBGNPJRHIATE-SKDRFNHKSA-N 1 0 193.265 2.681 10 0 AFAERO CC[C@@]1(C(C)C)CC[C@](C)(CC[NH3+])O1 308641309 573591862 /nfs/dbraw/zinc/59/18/62/573591862.db2.gz DGPYMQUSHSJYPN-NEPJUHHUSA-N 1 0 199.338 2.709 10 0 AFAERO Cc1c[nH]c([C@@H]2[NH2+]C[C@H](C)[C@@H]2C)c1C 238443115 573591904 /nfs/dbraw/zinc/59/19/04/573591904.db2.gz DXRAQYLIGYJYTB-PTOFAABTSA-N 1 0 192.306 2.548 10 0 AFAERO C[C@H](c1cccc(F)c1)[C@@H]1CCC[NH2+]1 107424862 573591936 /nfs/dbraw/zinc/59/19/36/573591936.db2.gz YGKHRBRJJWROMB-SKDRFNHKSA-N 1 0 193.265 2.681 10 0 AFAERO CC[C@H](c1ccco1)[C@H]1CCC[NH2+]C1 107425378 573591944 /nfs/dbraw/zinc/59/19/44/573591944.db2.gz PDIHLKCIMIBSQZ-QWRGUYRKSA-N 1 0 193.290 2.773 10 0 AFAERO Cc1ccc([C@H](C)[C@H]2CCC[NH2+]C2)o1 107425359 573591990 /nfs/dbraw/zinc/59/19/90/573591990.db2.gz IXRGOVQIMWNBFT-MNOVXSKESA-N 1 0 193.290 2.691 10 0 AFAERO CC[NH2+]C[C@]1(C)CC[C@@H]([C@H](C)CC)O1 308640055 573591991 /nfs/dbraw/zinc/59/19/91/573591991.db2.gz CSDXASBBPDQBBZ-WOPDTQHZSA-N 1 0 199.338 2.580 10 0 AFAERO Cc1ccc([C@H](C)C[C@H]2CC[NH2+]C2)o1 107425339 573593645 /nfs/dbraw/zinc/59/36/45/573593645.db2.gz SSNDWSYSBYWARS-MWLCHTKSSA-N 1 0 193.290 2.691 10 0 AFAERO C[C@@H](F)c1cccc(/C=C/C[NH3+])c1 258064189 573593798 /nfs/dbraw/zinc/59/37/98/573593798.db2.gz SWTIQBZAMZIXAJ-HYYFJVDXSA-N 1 0 179.238 2.689 10 0 AFAERO C[C@@H]([NH3+])[C@H]1CCCc2c(F)cccc21 107424990 573593636 /nfs/dbraw/zinc/59/36/36/573593636.db2.gz OUJWKMBLIYIQSC-RKDXNWHRSA-N 1 0 193.265 2.593 10 0 AFAERO CCC(CC)CNc1[nH+]ccn1CC 130474380 573593687 /nfs/dbraw/zinc/59/36/87/573593687.db2.gz DZRQAYSNAVFMAN-UHFFFAOYSA-N 1 0 195.310 2.751 10 0 AFAERO C[NH2+]C[C@@H](C)c1ccccc1SC 257835679 573597751 /nfs/dbraw/zinc/59/77/51/573597751.db2.gz LZMMKTZVPKDWDM-SECBINFHSA-N 1 0 195.331 2.731 10 0 AFAERO CC1(C)CSc2ccccc2[C@@H]1[NH3+] 107426850 573597792 /nfs/dbraw/zinc/59/77/92/573597792.db2.gz NVFSGZWXJNTBOS-JTQLQIEISA-N 1 0 193.315 2.818 10 0 AFAERO C[NH2+][C@@H]1c2ccc(F)cc2CC[C@H]1C 107425110 573594778 /nfs/dbraw/zinc/59/47/78/573594778.db2.gz QYRRJJPACAVHRZ-PELKAZGASA-N 1 0 193.265 2.669 10 0 AFAERO CC[C@H]([NH2+]C)c1cc(C)c(F)cc1F 86726359 573594788 /nfs/dbraw/zinc/59/47/88/573594788.db2.gz VQBFLBZHNGAADJ-NSHDSACASA-N 1 0 199.244 2.944 10 0 AFAERO C[NH2+][C@H]1c2cc(F)ccc2CC[C@@H]1C 107425100 573594809 /nfs/dbraw/zinc/59/48/09/573594809.db2.gz SJXRIGBLTYAFDZ-QPUJVOFHSA-N 1 0 193.265 2.669 10 0 AFAERO C[C@H]([NH3+])[C@@H]1CCCc2ccc(F)cc21 107424994 573594816 /nfs/dbraw/zinc/59/48/16/573594816.db2.gz SXKVUUNCWHCSPL-KWQFWETISA-N 1 0 193.265 2.593 10 0 AFAERO C[NH2+][C@@H]1c2ccc(F)cc2CC[C@@H]1C 107425112 573594911 /nfs/dbraw/zinc/59/49/11/573594911.db2.gz QYRRJJPACAVHRZ-UFBFGSQYSA-N 1 0 193.265 2.669 10 0 AFAERO CCC[C@H]1CC[C@@H]([NH2+]CC)CC1 238276033 573594913 /nfs/dbraw/zinc/59/49/13/573594913.db2.gz RUDRUNDYLNHJOS-XYPYZODXSA-N 1 0 169.312 2.955 10 0 AFAERO [NH3+][C@@H]1c2ccccc2SCC12CC2 107423044 573594973 /nfs/dbraw/zinc/59/49/73/573594973.db2.gz WMLKKSQRZTUNMA-SNVBAGLBSA-N 1 0 191.299 2.572 10 0 AFAERO C[C@@H]([NH3+])[C@@H]1CCSc2ccccc21 107426715 573595001 /nfs/dbraw/zinc/59/50/01/573595001.db2.gz VWYMZYGEKTWADG-BDAKNGLRSA-N 1 0 193.315 2.613 10 0 AFAERO C[C@@H](c1ccc(F)cc1)[C@H]1CCC[NH2+]1 107424875 573595013 /nfs/dbraw/zinc/59/50/13/573595013.db2.gz DFNBGNPJRHIATE-JOYOIKCWSA-N 1 0 193.265 2.681 10 0 AFAERO Cc1cc(C[NH2+]C(C)C)c(F)cc1F 86727174 573595019 /nfs/dbraw/zinc/59/50/19/573595019.db2.gz SWXRNLNEEPBZJW-UHFFFAOYSA-N 1 0 199.244 2.771 10 0 AFAERO C[C@@H](CC(C)(C)[NH3+])c1ccccc1O 107425259 573595063 /nfs/dbraw/zinc/59/50/63/573595063.db2.gz UPHZJGHZUZOECY-VIFPVBQESA-N 1 0 193.290 2.623 10 0 AFAERO C[C@H](F)c1cccc(/C=C/C[NH3+])c1 258064192 573595293 /nfs/dbraw/zinc/59/52/93/573595293.db2.gz SWTIQBZAMZIXAJ-SGRBOOSSSA-N 1 0 179.238 2.689 10 0 AFAERO COc1ccccc1[C@H](C)C(C)(C)[NH3+] 107425249 573595366 /nfs/dbraw/zinc/59/53/66/573595366.db2.gz INSRDIRTMHPXRI-VIFPVBQESA-N 1 0 193.290 2.536 10 0 AFAERO CC(C)([NH3+])[C@@](C)(F)c1cccc(F)c1 257833833 573595392 /nfs/dbraw/zinc/59/53/92/573595392.db2.gz ICKJRRGEDBMEQL-NSHDSACASA-N 1 0 199.244 2.748 10 0 AFAERO CC(C)(c1ccco1)C1CC[NH2+]CC1 107425278 573595421 /nfs/dbraw/zinc/59/54/21/573595421.db2.gz MLKBHYIQVNMPDY-UHFFFAOYSA-N 1 0 193.290 2.557 10 0 AFAERO CC[C@@H](c1ccco1)[C@@H]1CCC[NH2+]C1 107425366 573595428 /nfs/dbraw/zinc/59/54/28/573595428.db2.gz PDIHLKCIMIBSQZ-GHMZBOCLSA-N 1 0 193.290 2.773 10 0 AFAERO CCCCC[NH+]1CCC(F)(F)CC1 259136676 573595435 /nfs/dbraw/zinc/59/54/35/573595435.db2.gz AWMVWWAHOXDPBD-UHFFFAOYSA-N 1 0 191.265 2.908 10 0 AFAERO Cc1cc([C@H]([NH3+])C2CC2)c(F)cc1F 86725588 573595437 /nfs/dbraw/zinc/59/54/37/573595437.db2.gz SOMLGPRXMLPKSU-LLVKDONJSA-N 1 0 197.228 2.683 10 0 AFAERO CC[C@H](C)[C@@]1(C)CCC[C@H](CC[NH3+])O1 308646266 573600871 /nfs/dbraw/zinc/60/08/71/573600871.db2.gz HNZSDNUVCUGUOQ-QJPTWQEYSA-N 1 0 199.338 2.709 10 0 AFAERO CC[C@@H](c1ccco1)[C@H]1CCC[NH2+]C1 107425374 573595575 /nfs/dbraw/zinc/59/55/75/573595575.db2.gz PDIHLKCIMIBSQZ-WDEREUQCSA-N 1 0 193.290 2.773 10 0 AFAERO [NH3+]CCc1ccccc1[C@@H](F)C1CC1 259523505 573595593 /nfs/dbraw/zinc/59/55/93/573595593.db2.gz ANBNMDNBANTEOO-LBPRGKRZSA-N 1 0 193.265 2.608 10 0 AFAERO C[C@H]([NH3+])[C@H]1CCCc2c(F)cccc21 107424987 573595651 /nfs/dbraw/zinc/59/56/51/573595651.db2.gz OUJWKMBLIYIQSC-DTWKUNHWSA-N 1 0 193.265 2.593 10 0 AFAERO C[NH2+][C@@H](C)c1cc(C)c(F)cc1F 86726209 573595730 /nfs/dbraw/zinc/59/57/30/573595730.db2.gz YEGPJRHVBCBAOC-ZETCQYMHSA-N 1 0 185.217 2.554 10 0 AFAERO CC[C@H](c1ccco1)[C@@H]1CCC[NH2+]C1 107425369 573595735 /nfs/dbraw/zinc/59/57/35/573595735.db2.gz PDIHLKCIMIBSQZ-MNOVXSKESA-N 1 0 193.290 2.773 10 0 AFAERO C[C@@H]1C[NH2+][C@@H]2CCCC[C@@]2(C)C1 238455510 573595830 /nfs/dbraw/zinc/59/58/30/573595830.db2.gz SSDBONBOCRTKQZ-AXFHLTTASA-N 1 0 167.296 2.565 10 0 AFAERO C[C@H]([NH3+])[C@@H]1CCSc2ccccc21 107426712 573595859 /nfs/dbraw/zinc/59/58/59/573595859.db2.gz VWYMZYGEKTWADG-IUCAKERBSA-N 1 0 193.315 2.613 10 0 AFAERO COc1ccccc1[C@@H](C)C(C)(C)[NH3+] 107425252 573595882 /nfs/dbraw/zinc/59/58/82/573595882.db2.gz INSRDIRTMHPXRI-SECBINFHSA-N 1 0 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2.615 10 0 AFAERO CC[C@]1(C(C)C)CC[C@@](C)(CC[NH3+])O1 308641510 573608795 /nfs/dbraw/zinc/60/87/95/573608795.db2.gz DGPYMQUSHSJYPN-NWDGAFQWSA-N 1 0 199.338 2.709 10 0 AFAERO C[C@H]1CC[C@@H]2CCCC[C@@H]2[C@@H]1[NH3+] 238447787 573608833 /nfs/dbraw/zinc/60/88/33/573608833.db2.gz UPOYVVCPFWKNPV-XWLWVQCSSA-N 1 0 167.296 2.550 10 0 AFAERO CCSCC[C@@H](C[NH2+]C)C(C)C 130588793 573608889 /nfs/dbraw/zinc/60/88/89/573608889.db2.gz INRBMXBZZHQWOL-JTQLQIEISA-N 1 0 189.368 2.621 10 0 AFAERO C[NH2+]CCc1ccc2cc(C)ccc2c1 259128214 573608967 /nfs/dbraw/zinc/60/89/67/573608967.db2.gz MHUBQZSSNBOBHO-UHFFFAOYSA-N 1 0 199.297 2.910 10 0 AFAERO CC(C)(C)[C@H](F)C[C@H]1CCC[NH2+]C1 257837391 573609097 /nfs/dbraw/zinc/60/90/97/573609097.db2.gz LCGKPVBBFIILJG-NXEZZACHSA-N 1 0 187.302 2.760 10 0 AFAERO CCc1ccc(SC[NH2+]C)cc1 259126066 573609117 /nfs/dbraw/zinc/60/91/17/573609117.db2.gz CMSHUJWQTFYWQP-UHFFFAOYSA-N 1 0 181.304 2.518 10 0 AFAERO Cc1ccc(F)cc1CCC1([NH3+])CC1 257837351 573609148 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2.615 10 0 AFAERO [NH3+]C1(C[C@H]2CCSC2)CCCCC1 258068299 573611901 /nfs/dbraw/zinc/61/19/01/573611901.db2.gz QERMLSKWCCVZBO-SNVBAGLBSA-N 1 0 199.363 2.791 10 0 AFAERO CCCC1([C@H]2C[NH2+][C@@H](C)C2)CCC1 686125836 573612093 /nfs/dbraw/zinc/61/20/93/573612093.db2.gz JOOYZCXUZPMMOD-WDEREUQCSA-N 1 0 181.323 2.955 10 0 AFAERO Cc1c(F)cc(C2([NH3+])CCC2)cc1F 258070183 573612107 /nfs/dbraw/zinc/61/21/07/573612107.db2.gz MDGMYKFYCTVHCW-UHFFFAOYSA-N 1 0 197.228 2.611 10 0 AFAERO CC[C@H](C)[C@H](C)Nc1[nH+]ccn1CC 50614179 573612113 /nfs/dbraw/zinc/61/21/13/573612113.db2.gz RICDHTFASBYNNP-UWVGGRQHSA-N 1 0 195.310 2.750 10 0 AFAERO C[C@H](F)[C@H](C)[NH2+]C1CCCCC1 238449757 573612181 /nfs/dbraw/zinc/61/21/81/573612181.db2.gz BSYNBAIDHLGJSZ-IUCAKERBSA-N 1 0 173.275 2.655 10 0 AFAERO CCCC1([C@@H]2C[NH2+][C@@H](C)C2)CCC1 686125835 573612192 /nfs/dbraw/zinc/61/21/92/573612192.db2.gz JOOYZCXUZPMMOD-QWRGUYRKSA-N 1 0 181.323 2.955 10 0 AFAERO [NH3+]C1(C[C@@H]2CCSC2)CCCCC1 258068290 573612345 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CCC(CC)[NH2+]CC1(C)CCOCC1 130598945 573612568 /nfs/dbraw/zinc/61/25/68/573612568.db2.gz UHAGOPPIPQADFB-UHFFFAOYSA-N 1 0 199.338 2.581 10 0 AFAERO Cc1c(F)cc(F)cc1[C@H](C)CC[NH3+] 258068261 573612681 /nfs/dbraw/zinc/61/26/81/573612681.db2.gz HYKLOASPNMQFJN-SSDOTTSWSA-N 1 0 199.244 2.726 10 0 AFAERO CC[C@@H]1C[C@H]1[C@H]([NH3+])C1CC2(CCC2)C1 717506898 573612813 /nfs/dbraw/zinc/61/28/13/573612813.db2.gz FUCPJYPYHCRPQS-YUSALJHKSA-N 1 0 193.334 2.940 10 0 AFAERO COCCC[C@@H]([NH3+])CC1(C)CCCC1 308643129 573613880 /nfs/dbraw/zinc/61/38/80/573613880.db2.gz FEJKQEGTFNSAIB-LLVKDONJSA-N 1 0 199.338 2.711 10 0 AFAERO C(C[NH2+][C@H]1CC[C@@H]1C1CC1)CC1CC1 308643498 573613890 /nfs/dbraw/zinc/61/38/90/573613890.db2.gz GCUZUXBXXJSERZ-OLZOCXBDSA-N 1 0 193.334 2.955 10 0 AFAERO CCC[NH2+]C[C@@H](CC)CCSC 130603652 573613891 /nfs/dbraw/zinc/61/38/91/573613891.db2.gz ADJCGWXNBNHMOS-JTQLQIEISA-N 1 0 189.368 2.765 10 0 AFAERO CC[C@]1(C)CC[C@@H](C[NH2+]C(C)(C)C)O1 308642191 573613731 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573819795 /nfs/dbraw/zinc/81/97/95/573819795.db2.gz AIOJNNKTZREDFL-PGKBUCCNSA-N 1 0 193.334 2.940 10 0 AFAERO C[C@H](C[NH3+])c1cccc(F)c1[C@@H](C)F 258146406 573819819 /nfs/dbraw/zinc/81/98/19/573819819.db2.gz OJQPNRNFTVYABE-HTQZYQBOSA-N 1 0 199.244 2.918 10 0 AFAERO Cc1cc(F)c([C@@H]([NH3+])C(C)C)cc1F 87188837 573819825 /nfs/dbraw/zinc/81/98/25/573819825.db2.gz FVOGNWJTNZWJDM-NSHDSACASA-N 1 0 199.244 2.929 10 0 AFAERO CCCCCCOC[C@H]1CCCC[NH2+]1 43494559 573819870 /nfs/dbraw/zinc/81/98/70/573819870.db2.gz UGSLTHXVQBHKOD-GFCCVEGCSA-N 1 0 199.338 2.725 10 0 AFAERO CSCCCC(C)(C)C[C@@H](C)[NH3+] 131319951 573819895 /nfs/dbraw/zinc/81/98/95/573819895.db2.gz VLQAELIJWXTKQV-SECBINFHSA-N 1 0 189.368 2.893 10 0 AFAERO CSC[C@H](C)[NH2+][C@@H](C)C1(C)CC1 127317329 573820593 /nfs/dbraw/zinc/82/05/93/573820593.db2.gz BPMWEJARSOKFHV-IUCAKERBSA-N 1 0 187.352 2.516 10 0 AFAERO [NH3+]Cc1ccc([C@H]2C[C@H]2C(F)F)cc1 258147115 573820036 /nfs/dbraw/zinc/82/00/36/573820036.db2.gz RPXOHTUNTHSGSI-NXEZZACHSA-N 1 0 197.228 2.514 10 0 AFAERO Cc1ccccc1[C@@H]1C[C@@H]2C[C@@H]2C[NH2+]1 257883276 573820042 /nfs/dbraw/zinc/82/00/42/573820042.db2.gz MHDJLSNEBODFAZ-LOWVWBTDSA-N 1 0 187.286 2.666 10 0 AFAERO Cc1cc(F)c2c(c1F)[C@H]([NH3+])CCC2 87189624 573820015 /nfs/dbraw/zinc/82/00/15/573820015.db2.gz IITBPERQBYRPCC-SECBINFHSA-N 1 0 197.228 2.609 10 0 AFAERO C=Cc1cccc(C2CC[NH2+]CC2)c1 238136949 573820080 /nfs/dbraw/zinc/82/00/80/573820080.db2.gz SAFYUKDYQOZRTJ-UHFFFAOYSA-N 1 0 187.286 2.797 10 0 AFAERO CC(C)CCCOC[C@@H]1CCCC[NH2+]1 43494544 573820100 /nfs/dbraw/zinc/82/01/00/573820100.db2.gz XMFNLLJKPJHHSM-LBPRGKRZSA-N 1 0 199.338 2.581 10 0 AFAERO CSCCCC(C)(C)C[C@H](C)[NH3+] 131319754 573820101 /nfs/dbraw/zinc/82/01/01/573820101.db2.gz VLQAELIJWXTKQV-VIFPVBQESA-N 1 0 189.368 2.893 10 0 AFAERO CC1(C)[C@H](C[NH3+])C12CCCCC2 84306826 573820117 /nfs/dbraw/zinc/82/01/17/573820117.db2.gz SOEKOWDYLYUZPA-VIFPVBQESA-N 1 0 167.296 2.552 10 0 AFAERO CC[C@H]([NH2+]C)c1cc(F)c(C)cc1F 87189008 573820602 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238139898 573824003 /nfs/dbraw/zinc/82/40/03/573824003.db2.gz ZPMQQBLVHCYKDI-JTQLQIEISA-N 1 0 197.253 2.577 10 0 AFAERO C[C@@H](C[NH3+])c1cc2c(F)cccc2o1 257884116 573824154 /nfs/dbraw/zinc/82/41/54/573824154.db2.gz KHINVPFJLJVKKY-ZETCQYMHSA-N 1 0 193.221 2.634 10 0 AFAERO CCc1ccc(C2CC([NH2+]C)C2)cc1 87199737 573824164 /nfs/dbraw/zinc/82/41/64/573824164.db2.gz JVKOBVXDYRBULU-UHFFFAOYSA-N 1 0 189.302 2.714 10 0 AFAERO [NH3+]C1(C[C@H](F)c2ccccc2)CC1 257884908 573825169 /nfs/dbraw/zinc/82/51/69/573825169.db2.gz MMUFRAYJVVWQCY-JTQLQIEISA-N 1 0 179.238 2.579 10 0 AFAERO Cc1cc(F)c([C@@H](C)[C@H](C)[NH3+])cc1F 87220748 573826916 /nfs/dbraw/zinc/82/69/16/573826916.db2.gz XMSBAKSVOIPAEL-YUMQZZPRSA-N 1 0 199.244 2.724 10 0 AFAERO CCC[C@H](C)[C@@H](C[C@@H](C)CC)NN 131401546 573829179 /nfs/dbraw/zinc/82/91/79/573829179.db2.gz GJBAZOSNHQBVMA-GARJFASQSA-N 1 0 186.343 2.691 10 0 AFAERO C[C@@H]1CCC[C@H](C[NH2+]C2CC2)CC1 84326772 573829316 /nfs/dbraw/zinc/82/93/16/573829316.db2.gz 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/nfs/dbraw/zinc/84/85/94/573848594.db2.gz DZXYTNRTXXHKTP-NSHDSACASA-N 1 0 199.363 2.957 10 0 AFAERO C[NH2+][C@H](C)c1cc(C)c(OC)c(C)c1 84354674 573848644 /nfs/dbraw/zinc/84/86/44/573848644.db2.gz YUFJEILKRQIYCN-SNVBAGLBSA-N 1 0 193.290 2.592 10 0 AFAERO C[NH2+][C@H](C)C1(c2cccc(C)c2)CC1 84349737 573848658 /nfs/dbraw/zinc/84/86/58/573848658.db2.gz VCDSADJILXZEGN-LLVKDONJSA-N 1 0 189.302 2.635 10 0 AFAERO CCOc1ccccc1[C@H](C)CC[NH3+] 43559379 573847984 /nfs/dbraw/zinc/84/79/84/573847984.db2.gz KFJSDZYMIHQQOB-SNVBAGLBSA-N 1 0 193.290 2.538 10 0 AFAERO CCC/C=C/CC[N@@H+]1CC[C@@H]2C[C@@H]21 308452945 573847998 /nfs/dbraw/zinc/84/79/98/573847998.db2.gz FBISLRBGDDVTFG-RVAOTSRCSA-N 1 0 179.307 2.827 10 0 AFAERO CC1CCC([NH3+])(Cc2ccoc2)CC1 84354374 573848216 /nfs/dbraw/zinc/84/82/16/573848216.db2.gz DEOXQAGHVJIQJE-UHFFFAOYSA-N 1 0 193.290 2.730 10 0 AFAERO Cc1ccc(/C=C/C[NH3+])cc1C(F)F 258158069 573848263 /nfs/dbraw/zinc/84/82/63/573848263.db2.gz UVCYZUOGGZQART-NSCUHMNNSA-N 1 0 197.228 2.905 10 0 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/nfs/dbraw/zinc/85/02/17/573850217.db2.gz JUFCWUCTGPRHIV-SNVBAGLBSA-N 1 0 196.269 2.575 10 0 AFAERO Cc1cccc([C@@H]([NH3+])C(C)(C)C)c1N 238541657 573850239 /nfs/dbraw/zinc/85/02/39/573850239.db2.gz IGRRXARVQCGMOS-LLVKDONJSA-N 1 0 192.306 2.623 10 0 AFAERO CCCc1ccc([C@H]2[NH2+]C[C@@H]2C)cc1 259212424 573850242 /nfs/dbraw/zinc/85/02/42/573850242.db2.gz NVOROKQCTAUXAS-GWCFXTLKSA-N 1 0 189.302 2.920 10 0 AFAERO Cc1ccc([C@H]2CCC[C@H]([NH3+])C2)o1 238539570 573850343 /nfs/dbraw/zinc/85/03/43/573850343.db2.gz QWULQRWSINNJAO-UWVGGRQHSA-N 1 0 179.263 2.573 10 0 AFAERO CC(C)OCC[C@H]1CCCCC[C@H]1[NH3+] 43650324 573850350 /nfs/dbraw/zinc/85/03/50/573850350.db2.gz RLKCLNHHCFDMQE-VXGBXAGGSA-N 1 0 199.338 2.709 10 0 AFAERO CNCSc1ccc(Cl)s1 259212966 573850477 /nfs/dbraw/zinc/85/04/77/573850477.db2.gz LPPCUIHKRGFWAX-UHFFFAOYSA-N 1 0 193.724 2.671 10 0 AFAERO COCCC[NH2+][C@@H]1C=CCCCCC1 308454312 573850522 /nfs/dbraw/zinc/85/05/22/573850522.db2.gz JDYFHRCWEZEEOD-GFCCVEGCSA-N 1 0 197.322 2.501 10 0 AFAERO C[NH2+][C@@H](C)C[C@H](F)C1CCCCC1 257887573 573850541 /nfs/dbraw/zinc/85/05/41/573850541.db2.gz WORARWNXJFQTGM-ONGXEEELSA-N 1 0 187.302 2.903 10 0 AFAERO CCCC1([C@H]2[NH2+]CC2(C)C)CCC1 686132897 573851463 /nfs/dbraw/zinc/85/14/63/573851463.db2.gz IITILRQHFWTUHF-JTQLQIEISA-N 1 0 181.323 2.955 10 0 AFAERO C[NH2+][C@H]1CCCCC[C@H]1CCCOC 43650657 573851491 /nfs/dbraw/zinc/85/14/91/573851491.db2.gz BUJMMGTZLCLKIK-RYUDHWBXSA-N 1 0 199.338 2.581 10 0 AFAERO CCOCC[C@@H]1CCCCC[C@H]1[NH2+]C 43650626 573851658 /nfs/dbraw/zinc/85/16/58/573851658.db2.gz JBMUTHPTQYJJNO-NWDGAFQWSA-N 1 0 199.338 2.581 10 0 AFAERO CCC1([C@@H]2CC[NH2+]C[C@@H]2C)CCC1 686132920 573851697 /nfs/dbraw/zinc/85/16/97/573851697.db2.gz IXFSIQRWPBEKFZ-WDEREUQCSA-N 1 0 181.323 2.812 10 0 AFAERO CCCc1ccc([C@@H]2[NH2+]C[C@@H]2C)cc1 259212428 573851721 /nfs/dbraw/zinc/85/17/21/573851721.db2.gz NVOROKQCTAUXAS-GXFFZTMASA-N 1 0 189.302 2.920 10 0 AFAERO C[NH2+][C@@H]1CCCCC[C@H]1CCCOC 43650656 573851780 /nfs/dbraw/zinc/85/17/80/573851780.db2.gz BUJMMGTZLCLKIK-NWDGAFQWSA-N 1 0 199.338 2.581 10 0 AFAERO CC(C)([NH3+])[C@H]1CCc2ccccc2C1 257888634 573851923 /nfs/dbraw/zinc/85/19/23/573851923.db2.gz WRORINUUYXEMDG-LBPRGKRZSA-N 1 0 189.302 2.529 10 0 AFAERO C[NH2+][C@@H]1CCCCC[C@@H]1CCCOC 43650654 573851934 /nfs/dbraw/zinc/85/19/34/573851934.db2.gz BUJMMGTZLCLKIK-VXGBXAGGSA-N 1 0 199.338 2.581 10 0 AFAERO CC(C)([NH3+])[C@@H]1CCc2ccccc2C1 257888631 573852019 /nfs/dbraw/zinc/85/20/19/573852019.db2.gz WRORINUUYXEMDG-GFCCVEGCSA-N 1 0 189.302 2.529 10 0 AFAERO CCOC[C@@H]([NH3+])CC1CCC(C)CC1 308454192 573852023 /nfs/dbraw/zinc/85/20/23/573852023.db2.gz BBNITNVQHWSMPZ-MCIGGMRASA-N 1 0 199.338 2.567 10 0 AFAERO C[C@H]1Oc2c(ccc3ccccc23)[C@H]1[NH3+] 43633498 573852554 /nfs/dbraw/zinc/85/25/54/573852554.db2.gz CCGAIOTYLARYOZ-PELKAZGASA-N 1 0 199.253 2.621 10 0 AFAERO Cc1ccc([C@H]2CCC[C@@H]2[NH3+])c(F)c1 238539131 573852074 /nfs/dbraw/zinc/85/20/74/573852074.db2.gz CBVKNMFWWGQMFP-PWSUYJOCSA-N 1 0 193.265 2.729 10 0 AFAERO CCOCC[C@H]1CCCCC[C@H]1[NH2+]C 43650628 573852077 /nfs/dbraw/zinc/85/20/77/573852077.db2.gz JBMUTHPTQYJJNO-VXGBXAGGSA-N 1 0 199.338 2.581 10 0 AFAERO Cc1ccc(NC2=[NH+]CCCC2)cc1 79512948 573852118 /nfs/dbraw/zinc/85/21/18/573852118.db2.gz RDCXFMASYSKOGV-UHFFFAOYSA-N 1 0 188.274 2.989 10 0 AFAERO CCCC1([C@@H]2[NH2+]CC2(C)C)CCC1 686132899 573852285 /nfs/dbraw/zinc/85/22/85/573852285.db2.gz IITILRQHFWTUHF-SNVBAGLBSA-N 1 0 181.323 2.955 10 0 AFAERO C[NH2+][C@@H](C)C[C@@H](F)C1CCCCC1 257887564 573852421 /nfs/dbraw/zinc/85/24/21/573852421.db2.gz WORARWNXJFQTGM-GXSJLCMTSA-N 1 0 187.302 2.903 10 0 AFAERO CC(C)OCC[C@@H]1CCCCC[C@@H]1[NH3+] 43650316 573852461 /nfs/dbraw/zinc/85/24/61/573852461.db2.gz RLKCLNHHCFDMQE-RYUDHWBXSA-N 1 0 199.338 2.709 10 0 AFAERO CC(=[NH2+])NCc1cc(C)c(F)c(C)c1 87260426 573852481 /nfs/dbraw/zinc/85/24/81/573852481.db2.gz VHFAXEQOZFBLRR-UHFFFAOYSA-N 1 0 194.253 2.529 10 0 AFAERO CCOCC[C@H]1CCCCC[C@@H]1[NH2+]C 43650624 573854487 /nfs/dbraw/zinc/85/44/87/573854487.db2.gz JBMUTHPTQYJJNO-NEPJUHHUSA-N 1 0 199.338 2.581 10 0 AFAERO CC(C)OCC[C@H]1CCCCC[C@@H]1[NH3+] 43650319 573853683 /nfs/dbraw/zinc/85/36/83/573853683.db2.gz RLKCLNHHCFDMQE-NEPJUHHUSA-N 1 0 199.338 2.709 10 0 AFAERO CC[C@]1([C@@H]2CCCS2)CCCC[NH2+]1 258161376 573853694 /nfs/dbraw/zinc/85/36/94/573853694.db2.gz KZJFIZKEWXBWDQ-WDEREUQCSA-N 1 0 199.363 2.804 10 0 AFAERO C[C@H]1CC[NH2+]Cc2cccc(Cl)c21 84358938 573853964 /nfs/dbraw/zinc/85/39/64/573853964.db2.gz XKMLTGDGXTZAJM-QMMMGPOBSA-N 1 0 195.693 2.937 10 0 AFAERO C[NH2+][C@H]1CCCCC[C@@H]1CCCOC 43650655 573854099 /nfs/dbraw/zinc/85/40/99/573854099.db2.gz BUJMMGTZLCLKIK-NEPJUHHUSA-N 1 0 199.338 2.581 10 0 AFAERO C[C@@H]1Oc2c(ccc3ccccc23)[C@@H]1[NH3+] 43633504 573854112 /nfs/dbraw/zinc/85/41/12/573854112.db2.gz CCGAIOTYLARYOZ-QPUJVOFHSA-N 1 0 199.253 2.621 10 0 AFAERO CC(C)[C@@](C)(F)c1cccc(C[NH3+])c1 258161473 573854244 /nfs/dbraw/zinc/85/42/44/573854244.db2.gz SUACOWUGNKXISD-GFCCVEGCSA-N 1 0 195.281 2.986 10 0 AFAERO CC[C@@]1([C@H]2CCCS2)CCCC[NH2+]1 258161372 573854439 /nfs/dbraw/zinc/85/44/39/573854439.db2.gz KZJFIZKEWXBWDQ-MNOVXSKESA-N 1 0 199.363 2.804 10 0 AFAERO Cc1cc(F)c(CC(C)(C)[NH3+])cc1F 258162961 573854449 /nfs/dbraw/zinc/85/44/49/573854449.db2.gz PNODNSBNIFAJJH-UHFFFAOYSA-N 1 0 199.244 2.553 10 0 AFAERO CC(=[NH2+])Cc1cc(Cl)ccc1O 238166339 573854385 /nfs/dbraw/zinc/85/43/85/573854385.db2.gz QXDXWVRPDPYDJL-UHFFFAOYSA-N 1 0 183.638 2.628 10 0 AFAERO CC(C)c1sc(C[NH3+])nc1C1CC1 257888600 573854391 /nfs/dbraw/zinc/85/43/91/573854391.db2.gz WQZKNKXRVCGNGR-UHFFFAOYSA-N 1 0 196.319 2.603 10 0 AFAERO Cc1ccsc1CCC(C)(C)[NH3+] 259212509 573854456 /nfs/dbraw/zinc/85/44/56/573854456.db2.gz SVNQPDIJSADFRL-UHFFFAOYSA-N 1 0 183.320 2.726 10 0 AFAERO [NH3+]CC1(C(F)(F)c2ccccc2)CC1 257888597 573855250 /nfs/dbraw/zinc/85/52/50/573855250.db2.gz WQVAZZQEOYADSS-UHFFFAOYSA-N 1 0 197.228 2.517 10 0 AFAERO Cc1ccc(CC[C@@H](C)[NH3+])c(C)c1C 259212313 573855539 /nfs/dbraw/zinc/85/55/39/573855539.db2.gz STQUATFJCLHWQP-SNVBAGLBSA-N 1 0 191.318 2.892 10 0 AFAERO Cc1c(O)cccc1[C@@H]([NH3+])C1CCC1 238542622 573855568 /nfs/dbraw/zinc/85/55/68/573855568.db2.gz YOLTVTGPKNTDRD-LBPRGKRZSA-N 1 0 191.274 2.501 10 0 AFAERO Cc1c[nH+]c(NC(C)C)n1C(C)C 238166977 573855639 /nfs/dbraw/zinc/85/56/39/573855639.db2.gz WCRDVLMQESONNP-UHFFFAOYSA-N 1 0 181.283 2.593 10 0 AFAERO CCCc1ccc([C@H]2[NH2+]C[C@H]2C)cc1 259212434 573855710 /nfs/dbraw/zinc/85/57/10/573855710.db2.gz NVOROKQCTAUXAS-MFKMUULPSA-N 1 0 189.302 2.920 10 0 AFAERO CCC1([C@H]2CC[NH2+]C[C@H]2C)CCC1 686132915 573855716 /nfs/dbraw/zinc/85/57/16/573855716.db2.gz IXFSIQRWPBEKFZ-MNOVXSKESA-N 1 0 181.323 2.812 10 0 AFAERO CC1(C)CCN(C(=[NH2+])C(C)(C)C)C1 87259411 573855788 /nfs/dbraw/zinc/85/57/88/573855788.db2.gz GCNGSJFUMNIMFS-UHFFFAOYSA-N 1 0 182.311 2.742 10 0 AFAERO CC1(C)CCN(C(=[NH2+])C2CCCC2)C1 87259396 573855839 /nfs/dbraw/zinc/85/58/39/573855839.db2.gz KNNWCTRRQHNDGJ-UHFFFAOYSA-N 1 0 194.322 2.886 10 0 AFAERO [NH3+]Cc1ccccc1[C@@H]1C[C@@H]1C(F)F 258163674 573855979 /nfs/dbraw/zinc/85/59/79/573855979.db2.gz SXHSLWAPVDRWRF-UWVGGRQHSA-N 1 0 197.228 2.514 10 0 AFAERO C[NH2+][C@@H](c1cncs1)C1CCCC1 84360329 573856042 /nfs/dbraw/zinc/85/60/42/573856042.db2.gz AUHBLNASFNBBKI-SNVBAGLBSA-N 1 0 196.319 2.594 10 0 AFAERO CCCC[C@H]([NH2+]C)c1ccco1 43607386 573857915 /nfs/dbraw/zinc/85/79/15/573857915.db2.gz CYWAFYZJMJNPKJ-VIFPVBQESA-N 1 0 167.252 2.730 10 0 AFAERO CSCc1cn(C(C)C)c(C)n1 258157870 573857924 /nfs/dbraw/zinc/85/79/24/573857924.db2.gz LOLNABOMPHAIJX-UHFFFAOYSA-N 1 0 184.308 2.635 10 0 AFAERO CCCOC/C=C\CC[NH2+]C(C)(C)C 211736883 573857850 /nfs/dbraw/zinc/85/78/50/573857850.db2.gz SODUNJLUFUYHOV-VURMDHGXSA-N 1 0 199.338 2.747 10 0 AFAERO Nc1ncccc1C[C@@H]1CC=CCC1 402357490 573859460 /nfs/dbraw/zinc/85/94/60/573859460.db2.gz UQLTZTLQCDPPOC-SNVBAGLBSA-N 1 0 188.274 2.563 10 0 AFAERO CC(C)(C)CCO[C@H]1CC[C@H]([NH3+])CC1 299891831 573859473 /nfs/dbraw/zinc/85/94/73/573859473.db2.gz DPDKRPBUOWSIID-XYPYZODXSA-N 1 0 199.338 2.709 10 0 AFAERO C/C(=C1/CC[NH2+]CC1(C)C)C(C)C 320335977 573859651 /nfs/dbraw/zinc/85/96/51/573859651.db2.gz IWVPZCHMRWKCGH-ZHACJKMWSA-N 1 0 181.323 2.978 10 0 AFAERO CC[NH2+]CCCc1ccccc1CC 308457037 573859722 /nfs/dbraw/zinc/85/97/22/573859722.db2.gz DKXLRILAHYIHDE-UHFFFAOYSA-N 1 0 191.318 2.791 10 0 AFAERO CC(C)OCC[C@@H]1C[C@H](C)CC[C@@H]1[NH3+] 43652468 573859753 /nfs/dbraw/zinc/85/97/53/573859753.db2.gz SPIVAHDZEIYRDC-UTUOFQBUSA-N 1 0 199.338 2.565 10 0 AFAERO CCCC[C@H]1C[C@H](C)CC[C@@H]1[NH3+] 43652715 573859762 /nfs/dbraw/zinc/85/97/62/573859762.db2.gz NYXGDIPENGAVIS-VWYCJHECSA-N 1 0 169.312 2.940 10 0 AFAERO [NH3+]C1(CCCC2(F)CCC2)CC1 257890436 573859791 /nfs/dbraw/zinc/85/97/91/573859791.db2.gz NJTMBIIXESEBCG-UHFFFAOYSA-N 1 0 171.259 2.540 10 0 AFAERO CC[C@H](C)[C@H]([NH2+]C)c1ccco1 43607334 573860166 /nfs/dbraw/zinc/86/01/66/573860166.db2.gz ILHBJNDMUDOTJJ-WPRPVWTQSA-N 1 0 167.252 2.586 10 0 AFAERO C[C@@]1(C[C@@H]2CCSC2)CCCC[NH2+]1 258156380 573860200 /nfs/dbraw/zinc/86/02/00/573860200.db2.gz KPXVKIBIEWFRPH-QWRGUYRKSA-N 1 0 199.363 2.662 10 0 AFAERO CC(C)(C)[C@H]([NH3+])c1cc(O)ccc1F 238172790 573860248 /nfs/dbraw/zinc/86/02/48/573860248.db2.gz NVCAEMNFOOBBDU-SNVBAGLBSA-N 1 0 197.253 2.577 10 0 AFAERO C[C@@]1(C[C@H]2CCSC2)CCCC[NH2+]1 258156378 573860357 /nfs/dbraw/zinc/86/03/57/573860357.db2.gz KPXVKIBIEWFRPH-MNOVXSKESA-N 1 0 199.363 2.662 10 0 AFAERO Cc1cc(Cl)c(C)c(C[C@@H](C)[NH3+])c1 258157973 573860519 /nfs/dbraw/zinc/86/05/19/573860519.db2.gz UTMGWSDSAYCFDK-MRVPVSSYSA-N 1 0 197.709 2.847 10 0 AFAERO CCC(C)(C)[NH2+][C@@H]1C=CCCC1 224734000 573860759 /nfs/dbraw/zinc/86/07/59/573860759.db2.gz ROLIZUGGGFQLLF-SNVBAGLBSA-N 1 0 167.296 2.873 10 0 AFAERO C[C@@H](CC1([NH3+])CC1)C(C)(C)C 84328933 573860779 /nfs/dbraw/zinc/86/07/79/573860779.db2.gz IMSXVSLWCOQENG-QMMMGPOBSA-N 1 0 155.285 2.550 10 0 AFAERO [NH3+]C1(CSC2CCCCCC2)CC1 214993770 573863444 /nfs/dbraw/zinc/86/34/44/573863444.db2.gz KUYQPWQNXSIZIY-UHFFFAOYSA-N 1 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214992801 573862518 /nfs/dbraw/zinc/86/25/18/573862518.db2.gz SVCAGFCYDYVFDL-WDEREUQCSA-N 1 0 199.363 2.505 10 0 AFAERO CCC(=[NH2+])Nc1cc(OC)ccc1F 87287288 573862544 /nfs/dbraw/zinc/86/25/44/573862544.db2.gz BHTLBDZSYPRBAU-UHFFFAOYSA-N 1 0 196.225 2.633 10 0 AFAERO CC[C@@H]([NH3+])[C@H](C)c1cc(F)cc(F)c1 87283497 573862593 /nfs/dbraw/zinc/86/25/93/573862593.db2.gz OXHPNUALEPUAGW-RDDDGLTNSA-N 1 0 199.244 2.806 10 0 AFAERO CC[C@H]([NH3+])[C@H](C)c1cc(F)cc(F)c1 87283496 573862611 /nfs/dbraw/zinc/86/26/11/573862611.db2.gz OXHPNUALEPUAGW-HQJQHLMTSA-N 1 0 199.244 2.806 10 0 AFAERO Cc1cccc2oc(C[NH+](C)C)cc12 257891263 573862646 /nfs/dbraw/zinc/86/26/46/573862646.db2.gz MFHUQQONPMPFQO-UHFFFAOYSA-N 1 0 189.258 2.803 10 0 AFAERO CC(C)C[C@@]1(C)[NH2+][C@@H](C)C(C)(C)O1 238170928 573862683 /nfs/dbraw/zinc/86/26/83/573862683.db2.gz NAUXEDKBMMMEKI-ONGXEEELSA-N 1 0 185.311 2.536 10 0 AFAERO CC/C(=C/C(C)(C)C)C[NH2+]C 211739183 573862692 /nfs/dbraw/zinc/86/26/92/573862692.db2.gz 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/nfs/dbraw/zinc/99/85/01/573998501.db2.gz DMBNVKHHLOVZIA-LLVKDONJSA-N 1 0 195.693 2.937 10 0 AFAERO [NH3+][C@@H](CC1CC1)c1ccnc(Cl)c1 104475840 573998772 /nfs/dbraw/zinc/99/87/72/573998772.db2.gz RHXZHCOFMFFZID-VIFPVBQESA-N 1 0 196.681 2.535 10 0 AFAERO CCc1ccc(Cl)cc1[C@@H]1CC[NH2+]1 104477938 573999337 /nfs/dbraw/zinc/99/93/37/573999337.db2.gz AZUYJWVHEPLRHN-NSHDSACASA-N 1 0 195.693 2.937 10 0 AFAERO CCC(CC)C[C@@H](CSC)[NH2+]C 128093798 573999591 /nfs/dbraw/zinc/99/95/91/573999591.db2.gz BGSFSLMLYCLGFH-JTQLQIEISA-N 1 0 189.368 2.764 10 0 AFAERO [NH3+]CC1(Sc2cccs2)CCC1 259262944 573999713 /nfs/dbraw/zinc/99/97/13/573999713.db2.gz PZYKNMLVYOSQDP-UHFFFAOYSA-N 1 0 199.344 2.722 10 0 AFAERO CCCc1c(C)[nH+]cc2c1NCCC2 238236642 573999780 /nfs/dbraw/zinc/99/97/80/573999780.db2.gz LBQSTYLXYDDMHQ-UHFFFAOYSA-N 1 0 190.290 2.701 10 0 AFAERO CCC(CC)C[C@@H]([NH3+])CSC 128093087 573999840 /nfs/dbraw/zinc/99/98/40/573999840.db2.gz XHNCFYHYGOKZBA-SECBINFHSA-N 1 0 175.341 2.503 10 0 AFAERO CC/C(=C/c1ccc(F)cc1)C[NH2+]C 211792646 574000178 /nfs/dbraw/zinc/00/01/78/574000178.db2.gz YKSRFMTZJOIRCM-NTMALXAHSA-N 1 0 193.265 2.839 10 0 AFAERO CCC[C@H]([NH3+])[C@H]1CCO[C@H](C(C)C)C1 211792802 574000282 /nfs/dbraw/zinc/00/02/82/574000282.db2.gz AJMUFCSKWQKTQJ-SRVKXCTJSA-N 1 0 199.338 2.565 10 0 AFAERO CCC(CC)C[C@H]([NH3+])CSC 128092854 574001707 /nfs/dbraw/zinc/00/17/07/574001707.db2.gz XHNCFYHYGOKZBA-VIFPVBQESA-N 1 0 175.341 2.503 10 0 AFAERO Cc1cc([C@@H]2CCCC[NH2+]2)cs1 82296603 574001878 /nfs/dbraw/zinc/00/18/78/574001878.db2.gz YAZXLJNJUBIYSY-JTQLQIEISA-N 1 0 181.304 2.871 10 0 AFAERO CC(C)[NH2+]CC(=O)CCC1CCCC1 82291894 574001911 /nfs/dbraw/zinc/00/19/11/574001911.db2.gz HVYVYEWMDMYDQU-UHFFFAOYSA-N 1 0 197.322 2.524 10 0 AFAERO [NH3+][C@H](CC1CC1)c1cncc(Cl)c1 104475883 574002018 /nfs/dbraw/zinc/00/20/18/574002018.db2.gz SFOAMWNPQUZLNF-SNVBAGLBSA-N 1 0 196.681 2.535 10 0 AFAERO Clc1ccncc1[C@H]1CCCC[NH2+]1 104475877 574002175 /nfs/dbraw/zinc/00/21/75/574002175.db2.gz ADHDBGMOYJJRAQ-SNVBAGLBSA-N 1 0 196.681 2.550 10 0 AFAERO CC/C(=C/C1CCCC1)C[NH2+]C 211792492 574002266 /nfs/dbraw/zinc/00/22/66/574002266.db2.gz FMWCETCPAVTZIA-NTMALXAHSA-N 1 0 167.296 2.732 10 0 AFAERO CCc1c([C@@H]2CC[NH2+]2)ccc(F)c1F 104488719 574003051 /nfs/dbraw/zinc/00/30/51/574003051.db2.gz JNSFRNGEAMWIOM-JTQLQIEISA-N 1 0 197.228 2.562 10 0 AFAERO CCC[C@@H]([NH3+])c1cccc(Cl)c1N 238238453 574003265 /nfs/dbraw/zinc/00/32/65/574003265.db2.gz GWTUSFXFGOJBBW-SECBINFHSA-N 1 0 198.697 2.722 10 0 AFAERO [NH3+][C@@H](CC1CC1)c1cccc(Cl)n1 104484807 574003189 /nfs/dbraw/zinc/00/31/89/574003189.db2.gz XXGKEXVMBNPDQS-QMMMGPOBSA-N 1 0 196.681 2.535 10 0 AFAERO [NH3+][C@@H](CC1CC1)c1cc(Cl)ccn1 104484816 574003197 /nfs/dbraw/zinc/00/31/97/574003197.db2.gz QFXUUBMZVWBIFJ-VIFPVBQESA-N 1 0 196.681 2.535 10 0 AFAERO CC(C)C1([C@@H]2C[NH2+][C@H](C)C2)CCC1 686130091 574003326 /nfs/dbraw/zinc/00/33/26/574003326.db2.gz KNSMHXNSJJJBLZ-MNOVXSKESA-N 1 0 181.323 2.811 10 0 AFAERO Cc1cc([C@H]2CCCC[NH2+]2)cs1 82296605 574003359 /nfs/dbraw/zinc/00/33/59/574003359.db2.gz YAZXLJNJUBIYSY-SNVBAGLBSA-N 1 0 181.304 2.871 10 0 AFAERO CC(C)CC[C@@H](C)[NH2+]Cc1ccc[nH]1 48408964 574003399 /nfs/dbraw/zinc/00/33/99/574003399.db2.gz NWEXKXCJLISTFE-LLVKDONJSA-N 1 0 194.322 2.929 10 0 AFAERO CCc1c([C@H](C)[NH3+])ccc(F)c1F 104487945 574003412 /nfs/dbraw/zinc/00/34/12/574003412.db2.gz JSDYNMSIVZCXBO-LURJTMIESA-N 1 0 185.217 2.547 10 0 AFAERO Cc1cnc(Cl)c([C@@H]([NH3+])C(C)C)c1 104487635 574003436 /nfs/dbraw/zinc/00/34/36/574003436.db2.gz TUMZPJOQMGELRQ-VIFPVBQESA-N 1 0 198.697 2.699 10 0 AFAERO CCC[C@H]([NH3+])[C@@H]1CCO[C@H](C(C)C)C1 211792665 574003447 /nfs/dbraw/zinc/00/34/47/574003447.db2.gz AJMUFCSKWQKTQJ-WOPDTQHZSA-N 1 0 199.338 2.565 10 0 AFAERO CCC[C@@H]([NH3+])c1cc(C)cnc1Cl 104487649 574003526 /nfs/dbraw/zinc/00/35/26/574003526.db2.gz BQFPSGSLTVJERR-SECBINFHSA-N 1 0 198.697 2.843 10 0 AFAERO Cc1cc(Cl)ncc1[C@H]([NH3+])C(C)C 104489027 574003595 /nfs/dbraw/zinc/00/35/95/574003595.db2.gz SRPAMFSOZADDGT-SNVBAGLBSA-N 1 0 198.697 2.699 10 0 AFAERO CCC(CC)C[C@H](CSC)[NH2+]C 128094036 574003598 /nfs/dbraw/zinc/00/35/98/574003598.db2.gz BGSFSLMLYCLGFH-SNVBAGLBSA-N 1 0 189.368 2.764 10 0 AFAERO CCc1cc(F)cc(F)c1[C@@H]1CC[NH2+]1 104487308 574004478 /nfs/dbraw/zinc/00/44/78/574004478.db2.gz NRMDBBURYGUQGY-JTQLQIEISA-N 1 0 197.228 2.562 10 0 AFAERO CCC[C@@H]([NH3+])c1cnc(Cl)c(C)c1 104487624 574004512 /nfs/dbraw/zinc/00/45/12/574004512.db2.gz FPEAKDOFNFRKTL-SECBINFHSA-N 1 0 198.697 2.843 10 0 AFAERO CCC[C@H]([NH3+])c1cc(C)cnc1Cl 104487643 574004541 /nfs/dbraw/zinc/00/45/41/574004541.db2.gz BQFPSGSLTVJERR-VIFPVBQESA-N 1 0 198.697 2.843 10 0 AFAERO c1c[nH]c(C[NH2+]CC2CCCCC2)c1 48408743 574004544 /nfs/dbraw/zinc/00/45/44/574004544.db2.gz CSDUQHZTROKQTH-UHFFFAOYSA-N 1 0 192.306 2.685 10 0 AFAERO Cc1cnc(Cl)c([C@H]([NH3+])C(C)C)c1 104487630 574004577 /nfs/dbraw/zinc/00/45/77/574004577.db2.gz TUMZPJOQMGELRQ-SECBINFHSA-N 1 0 198.697 2.699 10 0 AFAERO CC(C)C1([C@H]2C[NH2+][C@H](C)C2)CCC1 686130090 574004597 /nfs/dbraw/zinc/00/45/97/574004597.db2.gz KNSMHXNSJJJBLZ-GHMZBOCLSA-N 1 0 181.323 2.811 10 0 AFAERO CCC[C@H]([NH3+])c1ccc(C)nc1Cl 104489012 574006769 /nfs/dbraw/zinc/00/67/69/574006769.db2.gz KGUNGZRUOLQQRP-VIFPVBQESA-N 1 0 198.697 2.843 10 0 AFAERO CC1=CC[C@@](C)(CSC(N)=[NH2+])CC1 238240132 574006095 /nfs/dbraw/zinc/00/60/95/574006095.db2.gz ANROWEDVJUCBPE-SNVBAGLBSA-N 1 0 198.335 2.750 10 0 AFAERO CCc1cc(F)c(F)cc1[C@H](C)[NH3+] 104487956 574006150 /nfs/dbraw/zinc/00/61/50/574006150.db2.gz ONQURYLUUGQUQE-LURJTMIESA-N 1 0 185.217 2.547 10 0 AFAERO CC[C@@H]([NH3+])c1cc2ccccc2n1C 104485289 574006220 /nfs/dbraw/zinc/00/62/20/574006220.db2.gz LSVSVNCPUMPBJV-SNVBAGLBSA-N 1 0 188.274 2.588 10 0 AFAERO Cc1cc([C@H]([NH3+])C(C)C)cnc1Cl 104487612 574006223 /nfs/dbraw/zinc/00/62/23/574006223.db2.gz GHDBVPRPBQXQBK-SECBINFHSA-N 1 0 198.697 2.699 10 0 AFAERO CSc1c(F)cccc1/C=C/C[NH3+] 258201113 574006241 /nfs/dbraw/zinc/00/62/41/574006241.db2.gz YKUHQASTVHVAKK-HWKANZROSA-N 1 0 197.278 2.520 10 0 AFAERO [NH3+][C@@H](CC1CCCCC1)c1ccon1 74246225 574006774 /nfs/dbraw/zinc/00/67/74/574006774.db2.gz KCMVWQSOBHKDGY-JTQLQIEISA-N 1 0 194.278 2.645 10 0 AFAERO CC1(C)C[C@H]([NH3+])c2ccc(F)cc21 238239336 574006296 /nfs/dbraw/zinc/00/62/96/574006296.db2.gz JDOYEQNFGYNVIB-JTQLQIEISA-N 1 0 179.238 2.507 10 0 AFAERO CCc1c(C)cccc1[C@@H]1CCC[NH2+]1 104488338 574006357 /nfs/dbraw/zinc/00/63/57/574006357.db2.gz WIBRPLMJDSYAIM-ZDUSSCGKSA-N 1 0 189.302 2.982 10 0 AFAERO CC(C)[NH2+]CSc1ccccc1 259270471 574006442 /nfs/dbraw/zinc/00/64/42/574006442.db2.gz QVOWRNBTAFOXFP-UHFFFAOYSA-N 1 0 181.304 2.734 10 0 AFAERO [NH3+][C@H](CC1CC1)c1cccc(Cl)n1 104484801 574006522 /nfs/dbraw/zinc/00/65/22/574006522.db2.gz XXGKEXVMBNPDQS-MRVPVSSYSA-N 1 0 196.681 2.535 10 0 AFAERO CCc1c(F)cc(F)cc1[C@H](C)[NH3+] 104487951 574006546 /nfs/dbraw/zinc/00/65/46/574006546.db2.gz GAPBODLQJFFGBS-LURJTMIESA-N 1 0 185.217 2.547 10 0 AFAERO CC[C@H]([NH3+])c1cc2ccccc2n1C 104485286 574006586 /nfs/dbraw/zinc/00/65/86/574006586.db2.gz LSVSVNCPUMPBJV-JTQLQIEISA-N 1 0 188.274 2.588 10 0 AFAERO C[C@@H]([NH3+])Cc1ccccc1C(C)(F)F 258200615 574006664 /nfs/dbraw/zinc/00/66/64/574006664.db2.gz SKDIGXGXMCAZTJ-MRVPVSSYSA-N 1 0 199.244 2.688 10 0 AFAERO CCc1ccc(C)cc1[C@H]1CCC[NH2+]1 104489902 574009070 /nfs/dbraw/zinc/00/90/70/574009070.db2.gz OGVNQLNXYFYATM-CYBMUJFWSA-N 1 0 189.302 2.982 10 0 AFAERO CC[C@H]([NH3+])c1ccc(Cl)cc1OC 104492688 574009096 /nfs/dbraw/zinc/00/90/96/574009096.db2.gz WKRLAOLPTWHMLD-VIFPVBQESA-N 1 0 199.681 2.758 10 0 AFAERO CCC[NH2+][C@H](C(F)F)C1(C)CCC1 686130258 574009103 /nfs/dbraw/zinc/00/91/03/574009103.db2.gz PDVSFXGVYZTOQA-MRVPVSSYSA-N 1 0 191.265 2.810 10 0 AFAERO CC[C@@H](CC1CCCC1)[C@@H](C)[NH3+] 48733141 574009159 /nfs/dbraw/zinc/00/91/59/574009159.db2.gz TWDIERCQINPMNH-KOLCDFICSA-N 1 0 169.312 2.940 10 0 AFAERO CCc1c([C@@H](C)[NH3+])ccc(F)c1F 104491217 574008782 /nfs/dbraw/zinc/00/87/82/574008782.db2.gz JSDYNMSIVZCXBO-ZCFIWIBFSA-N 1 0 185.217 2.547 10 0 AFAERO CC[C@@H]([NH3+])c1cc(F)cc(F)c1C 104489467 574008934 /nfs/dbraw/zinc/00/89/34/574008934.db2.gz AABXBBPAIAFTIZ-SNVBAGLBSA-N 1 0 185.217 2.683 10 0 AFAERO Cc1cc2cc(/C=C/C[NH3+])ccc2o1 258203356 574008948 /nfs/dbraw/zinc/00/89/48/574008948.db2.gz YRAWGHPENBICGH-NSCUHMNNSA-N 1 0 187.242 2.713 10 0 AFAERO CCC(CC)C[C@H]([NH3+])C[C@@H]1CCCO1 128043449 574010676 /nfs/dbraw/zinc/01/06/76/574010676.db2.gz ALYQHGFCXRFSPD-RYUDHWBXSA-N 1 0 199.338 2.709 10 0 AFAERO CCC[C@H]([NH3+])c1ccc(Cl)c(N)c1 238246827 574009978 /nfs/dbraw/zinc/00/99/78/574009978.db2.gz VCMBMCJCJYOJEJ-VIFPVBQESA-N 1 0 198.697 2.722 10 0 AFAERO CCC[C@H]([NH3+])c1ccc(C)c(C)c1N 238246421 574010029 /nfs/dbraw/zinc/01/00/29/574010029.db2.gz XIQCXTCDTWVMAV-NSHDSACASA-N 1 0 192.306 2.686 10 0 AFAERO CC(C)C[C@@H](F)[C@@H]1CCCC[NH2+]C1 258203123 574010080 /nfs/dbraw/zinc/01/00/80/574010080.db2.gz NRPFSHQHVWJYMD-GHMZBOCLSA-N 1 0 187.302 2.760 10 0 AFAERO CCCC[C@H]1C[C@H](CC)C[NH2+]1 238245976 574010133 /nfs/dbraw/zinc/01/01/33/574010133.db2.gz COPOMCFZBZNDFK-UWVGGRQHSA-N 1 0 155.285 2.565 10 0 AFAERO C[NH2+][C@H](C(F)F)C1CCC(C)CC1 87687523 574010236 /nfs/dbraw/zinc/01/02/36/574010236.db2.gz NOFWDFHHXGLOBU-HACHORDNSA-N 1 0 191.265 2.666 10 0 AFAERO CCC[C@H]([NH3+])c1ccc(Cl)c(O)c1 238246838 574010307 /nfs/dbraw/zinc/01/03/07/574010307.db2.gz NSLGNOZDIBJNJH-VIFPVBQESA-N 1 0 199.681 2.846 10 0 AFAERO C[C@H](F)c1c(F)cccc1C[C@@H](C)[NH3+] 258203364 574010389 /nfs/dbraw/zinc/01/03/89/574010389.db2.gz SSVSKKVJSMIUML-SFYZADRCSA-N 1 0 199.244 2.746 10 0 AFAERO CCC[C@@H]([NH3+])c1ccc(O)cc1Cl 104491085 574010404 /nfs/dbraw/zinc/01/04/04/574010404.db2.gz XLRJNKWKRYOZAF-SNVBAGLBSA-N 1 0 199.681 2.846 10 0 AFAERO CCCc1ccc2c(c1)[C@H]([NH3+])CC2 238246448 574010411 /nfs/dbraw/zinc/01/04/11/574010411.db2.gz XUNVFNZNHNRSIO-GFCCVEGCSA-N 1 0 175.275 2.585 10 0 AFAERO CCCC[C@H]1[NH2+]C(C)(C)C[C@@H](C)O1 238247285 574010425 /nfs/dbraw/zinc/01/04/25/574010425.db2.gz KFATXENCNNGPMT-ZJUUUORDSA-N 1 0 185.311 2.680 10 0 AFAERO CC1=C(C)[C@H](c2[nH]cc(C)c2C)[NH2+]C1 238247437 574010494 /nfs/dbraw/zinc/01/04/94/574010494.db2.gz JTZMFUPZWUPUHI-GFCCVEGCSA-N 1 0 190.290 2.612 10 0 AFAERO CC[C@@H]([NH3+])c1ccc(Cl)cc1OC 104492694 574010572 /nfs/dbraw/zinc/01/05/72/574010572.db2.gz WKRLAOLPTWHMLD-SECBINFHSA-N 1 0 199.681 2.758 10 0 AFAERO CCc1ccc(C)cc1[C@H]([NH3+])C1CC1 104489890 574010586 /nfs/dbraw/zinc/01/05/86/574010586.db2.gz SWQAEMOZDQLEAY-CYBMUJFWSA-N 1 0 189.302 2.967 10 0 AFAERO CC[C@H]([NH3+])c1cc(Cl)cc(OC)c1 104492647 574010620 /nfs/dbraw/zinc/01/06/20/574010620.db2.gz ZRTQFKUJUISAFD-JTQLQIEISA-N 1 0 199.681 2.758 10 0 AFAERO CCCc1ccc2c(c1)CC[C@@H]2[NH3+] 238246811 574010622 /nfs/dbraw/zinc/01/06/22/574010622.db2.gz LAXZAMXEQRMNSO-LBPRGKRZSA-N 1 0 175.275 2.585 10 0 AFAERO C[C@@H]1C[C@@H](c2coc3ccccc23)[NH2+]1 259274010 574012405 /nfs/dbraw/zinc/01/24/05/574012405.db2.gz RBNNIONMAPYJGZ-KCJUWKMLSA-N 1 0 187.242 2.856 10 0 AFAERO CC1=C(C)c2ccccc2C[NH2+]1 238247697 574012430 /nfs/dbraw/zinc/01/24/30/574012430.db2.gz JNFSEIZBYBKQNE-UHFFFAOYSA-N 1 0 159.232 2.541 10 0 AFAERO [NH3+][C@H]1CCc2c1ccc1c2CCCC1 104495741 574012616 /nfs/dbraw/zinc/01/26/16/574012616.db2.gz PKWDQUXCPVQSJI-ZDUSSCGKSA-N 1 0 187.286 2.511 10 0 AFAERO C[C@@H]([NH3+])c1ccc(F)c(C(F)F)c1 104495849 574012636 /nfs/dbraw/zinc/01/26/36/574012636.db2.gz BYGFKDNQAGSFIC-RXMQYKEDSA-N 1 0 189.180 2.783 10 0 AFAERO CCc1cc(F)c(F)cc1[C@@H]([NH3+])CC 104497722 574012652 /nfs/dbraw/zinc/01/26/52/574012652.db2.gz WGJBQRSYPIACCF-NSHDSACASA-N 1 0 199.244 2.937 10 0 AFAERO CCC[C@H]([NH3+])c1ccc(N)c(Cl)c1 104496528 574012778 /nfs/dbraw/zinc/01/27/78/574012778.db2.gz XLENXAHQZUMRDW-VIFPVBQESA-N 1 0 198.697 2.722 10 0 AFAERO C1CC[C@@H](C[NH2+]CC2CCC2)SC1 87684267 574012704 /nfs/dbraw/zinc/01/27/04/574012704.db2.gz NTCSYMSJQUZATF-NSHDSACASA-N 1 0 199.363 2.662 10 0 AFAERO [NH3+][C@H](CC1CCCCC1)C(F)F 87688172 574014218 /nfs/dbraw/zinc/01/42/18/574014218.db2.gz RUWDGAWHIXKERD-MRVPVSSYSA-N 1 0 177.238 2.549 10 0 AFAERO CCC[C@@H]([NH3+])c1cccc2cc[nH]c12 104498226 574013584 /nfs/dbraw/zinc/01/35/84/574013584.db2.gz OTHBSLOAADVACZ-LLVKDONJSA-N 1 0 188.274 2.968 10 0 AFAERO CC(C)[C@@H]([NH3+])c1cccc2cc[nH]c12 104498218 574013597 /nfs/dbraw/zinc/01/35/97/574013597.db2.gz XITMKWNEVXEURE-LLVKDONJSA-N 1 0 188.274 2.824 10 0 AFAERO CCC[C@H]([NH3+])c1ccc(Cl)cc1N 104497647 574013619 /nfs/dbraw/zinc/01/36/19/574013619.db2.gz PFODKFDIUXBQMF-VIFPVBQESA-N 1 0 198.697 2.722 10 0 AFAERO CC[C@@H]1CCC[C@@]([NH2+]C)(C(F)F)C1 87688836 574013659 /nfs/dbraw/zinc/01/36/59/574013659.db2.gz OYEYXYGLJAQLRW-SCZZXKLOSA-N 1 0 191.265 2.810 10 0 AFAERO CCc1cc(CC)cc([C@H]2CC[NH2+]2)c1 104497056 574013671 /nfs/dbraw/zinc/01/36/71/574013671.db2.gz KKTQQAGUINOVJU-CYBMUJFWSA-N 1 0 189.302 2.846 10 0 AFAERO CC(C)[C@H]([NH3+])c1ccc(N)cc1Cl 104496536 574013688 /nfs/dbraw/zinc/01/36/88/574013688.db2.gz UOVSZCIQCHIRIG-JTQLQIEISA-N 1 0 198.697 2.578 10 0 AFAERO C[NH2+][C@@]1(C(F)F)CCC[C@@H](C)CC1 87688575 574013706 /nfs/dbraw/zinc/01/37/06/574013706.db2.gz CKDWKXIEECTGSH-SCZZXKLOSA-N 1 0 191.265 2.810 10 0 AFAERO C[NH2+]C1(C(F)F)C[C@H](C)C[C@@H](C)C1 87688449 574014244 /nfs/dbraw/zinc/01/42/44/574014244.db2.gz OZNJNAFTJWMAJD-HTQZYQBOSA-N 1 0 191.265 2.666 10 0 AFAERO CCC[C@@H]([NH3+])c1ccc(N)cc1Cl 104496551 574013724 /nfs/dbraw/zinc/01/37/24/574013724.db2.gz NVXHTEWADLTYIZ-SNVBAGLBSA-N 1 0 198.697 2.722 10 0 AFAERO C[NH2+][C@]1(C(F)F)CCCC(C)(C)C1 87688443 574013731 /nfs/dbraw/zinc/01/37/31/574013731.db2.gz XAHCYSZMXIQGKR-SNVBAGLBSA-N 1 0 191.265 2.810 10 0 AFAERO CC(C)[C@H]([NH3+])c1ccc(Cl)cc1N 104497634 574013765 /nfs/dbraw/zinc/01/37/65/574013765.db2.gz DSWDULLHNYRBCQ-JTQLQIEISA-N 1 0 198.697 2.578 10 0 AFAERO CC[C@H]1CCCC[C@]1([NH2+]C)C(F)F 87688429 574013781 /nfs/dbraw/zinc/01/37/81/574013781.db2.gz LLOFIDLIKMDRPI-WCBMZHEXSA-N 1 0 191.265 2.810 10 0 AFAERO C[C@@H]1CCC[C@@]([NH3+])(C(F)F)CC1 87688109 574013887 /nfs/dbraw/zinc/01/38/87/574013887.db2.gz ZIBVCUBVWIOSAV-APPZFPTMSA-N 1 0 177.238 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574015836 /nfs/dbraw/zinc/01/58/36/574015836.db2.gz VXVWRDQGLCRVHK-LLVKDONJSA-N 1 0 189.302 2.626 10 0 AFAERO CC1(C)CCC[C@@]([NH3+])(C(F)F)CC1 87688222 574015853 /nfs/dbraw/zinc/01/58/53/574015853.db2.gz YVMCJNFEMPICOU-JTQLQIEISA-N 1 0 191.265 2.939 10 0 AFAERO C[NH2+][C@]1(C(F)F)CC[C@@H](C)C[C@H]1C 87688788 574015861 /nfs/dbraw/zinc/01/58/61/574015861.db2.gz RQFPZSMYEOGKQO-NQMVMOMDSA-N 1 0 191.265 2.666 10 0 AFAERO CC[C@@H]1CCCC[C@@]1([NH3+])C(F)F 87687952 574015881 /nfs/dbraw/zinc/01/58/81/574015881.db2.gz YTTJCHOCXVZMBG-APPZFPTMSA-N 1 0 177.238 2.549 10 0 AFAERO Cc1c(F)cc(F)cc1[C@H]([NH3+])C(C)C 104500014 574015886 /nfs/dbraw/zinc/01/58/86/574015886.db2.gz FCGPTOZTDCHQDB-LLVKDONJSA-N 1 0 199.244 2.929 10 0 AFAERO CC1(C)CCC[C@]([NH3+])(C(F)F)CC1 87688221 574015906 /nfs/dbraw/zinc/01/59/06/574015906.db2.gz YVMCJNFEMPICOU-SNVBAGLBSA-N 1 0 191.265 2.939 10 0 AFAERO [NH3+][C@@]1(C(F)F)CCC[C@H](C2CC2)C1 87688111 574015929 /nfs/dbraw/zinc/01/59/29/574015929.db2.gz 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757153811 582467473 /nfs/dbraw/zinc/46/74/73/582467473.db2.gz ZDPSMDROGOGHGK-JTQLQIEISA-N 1 0 185.311 2.681 10 0 AFAERO CCCC1(CCC)[NH2+][C@H](C)CCO1 757153816 582467492 /nfs/dbraw/zinc/46/74/92/582467492.db2.gz ZDPSMDROGOGHGK-SNVBAGLBSA-N 1 0 185.311 2.681 10 0 AFAERO CCC1(CC)[NH2+]C[C@H](C(C)(C)C)CO1 757153378 582467527 /nfs/dbraw/zinc/46/75/27/582467527.db2.gz VCBCULMNJOBYGA-JTQLQIEISA-N 1 0 199.338 2.785 10 0 AFAERO CCC[C@@H]1CC[NH2+]C2(CCCCC2)O1 757153409 582467576 /nfs/dbraw/zinc/46/75/76/582467576.db2.gz VEGMCVWGLCMJAK-LLVKDONJSA-N 1 0 197.322 2.825 10 0 AFAERO CCC[C@H]1CC[NH2+]C(CC)(CC)O1 757153762 582467659 /nfs/dbraw/zinc/46/76/59/582467659.db2.gz XJWRJFRTRZYLOZ-JTQLQIEISA-N 1 0 185.311 2.681 10 0 AFAERO C[C@H]1CCOC2(CCCCCCC2)[NH2+]1 757152816 582467686 /nfs/dbraw/zinc/46/76/86/582467686.db2.gz UXKUZXDBODGEKH-NSHDSACASA-N 1 0 197.322 2.825 10 0 AFAERO CCC[C@H]1CC[NH2+]C2(CCCCC2)O1 757153410 582467760 /nfs/dbraw/zinc/46/77/60/582467760.db2.gz VEGMCVWGLCMJAK-NSHDSACASA-N 1 0 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757139701 582941937 /nfs/dbraw/zinc/94/19/37/582941937.db2.gz JGAGRQVQINISSE-GFCCVEGCSA-N 1 0 197.322 2.683 10 0 AFAERO CC1(C)CCC[C@]2(CC1)[NH2+]CCCO2 757139706 582942284 /nfs/dbraw/zinc/94/22/84/582942284.db2.gz JGAGRQVQINISSE-LBPRGKRZSA-N 1 0 197.322 2.683 10 0 AFAERO C[C@H]1CC(C)(C)OC2(CC(C)(C)C2)[NH2+]1 757144095 582943243 /nfs/dbraw/zinc/94/32/43/582943243.db2.gz FTHASPLFRUIUTM-VIFPVBQESA-N 1 0 197.322 2.680 10 0 AFAERO CC[C@H]1CCC[C@]2(CC1)[NH2+]CCCO2 757139630 582943479 /nfs/dbraw/zinc/94/34/79/582943479.db2.gz HGNBCUPMKPYZTB-RYUDHWBXSA-N 1 0 197.322 2.683 10 0 AFAERO CCC1(CC)[NH2+][C@@H](C(C)(C)C)CCO1 757140320 582943491 /nfs/dbraw/zinc/94/34/91/582943491.db2.gz LPRVUOOAEWPWEF-SNVBAGLBSA-N 1 0 199.338 2.927 10 0 AFAERO CCC[C@H]([NH3+])c1ccc(O)c(C)c1C 757144365 582943495 /nfs/dbraw/zinc/94/34/95/582943495.db2.gz IVAKFWCJCKSGPX-NSHDSACASA-N 1 0 193.290 2.809 10 0 AFAERO CCC[C@@H]([NH3+])c1ccc(O)c(C)c1C 757144359 582943500 /nfs/dbraw/zinc/94/35/00/582943500.db2.gz 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FNOBGXQBERKBIU-ZKWXMUAHSA-N 1 0 196.319 2.511 10 0 AFAERO Cc1ncc([C@H](C)[NH2+][C@@H]2C[C@@H]2C)s1 126966239 490041099 /nfs/dbraw/zinc/04/10/99/490041099.db2.gz FNOBGXQBERKBIU-ACLDMZEESA-N 1 0 196.319 2.511 10 0 AFAERO CCC(C)(CC)[NH2+]Cc1ccn(C)c1 127268373 490042180 /nfs/dbraw/zinc/04/21/80/490042180.db2.gz ZTNVRUMEXJWXAL-UHFFFAOYSA-N 1 0 194.322 2.693 10 0 AFAERO CCC[C@H]([NH2+]C1CC1)c1ccccn1 127516784 490042400 /nfs/dbraw/zinc/04/24/00/490042400.db2.gz NGXDJXHMHRZZMV-LBPRGKRZSA-N 1 0 190.290 2.675 10 0 AFAERO CCC[C@@H]([NH2+]C1CC1)c1ccccn1 127517022 490042505 /nfs/dbraw/zinc/04/25/05/490042505.db2.gz NGXDJXHMHRZZMV-GFCCVEGCSA-N 1 0 190.290 2.675 10 0 AFAERO CCC1([NH2+]Cc2cccnc2)CCC1 129074870 490048201 /nfs/dbraw/zinc/04/82/01/490048201.db2.gz JRJQOHUFBRNVII-UHFFFAOYSA-N 1 0 190.290 2.504 10 0 AFAERO CCC1([NH2+]Cc2ccccn2)CCC1 129077156 490048325 /nfs/dbraw/zinc/04/83/25/490048325.db2.gz IPVATEFMIKYVIF-UHFFFAOYSA-N 1 0 190.290 2.504 10 0 AFAERO CCC1([NH2+]Cc2cscn2)CCC1 129062388 490048361 /nfs/dbraw/zinc/04/83/61/490048361.db2.gz NJVIYUYQDFULSF-UHFFFAOYSA-N 1 0 196.319 2.565 10 0 AFAERO CCC1([NH2+]Cc2nccs2)CCC1 129057525 490048416 /nfs/dbraw/zinc/04/84/16/490048416.db2.gz LUESYVYCKWNASV-UHFFFAOYSA-N 1 0 196.319 2.565 10 0 AFAERO CCC1([NH2+]Cc2ccncc2)CCC1 129069804 490048452 /nfs/dbraw/zinc/04/84/52/490048452.db2.gz ILAYBTDRKKMGGT-UHFFFAOYSA-N 1 0 190.290 2.504 10 0 AFAERO CCC1([NH2+]Cc2ccco2)CCC1 129061704 490048579 /nfs/dbraw/zinc/04/85/79/490048579.db2.gz IGTHYDFNYWVRLU-UHFFFAOYSA-N 1 0 179.263 2.702 10 0 AFAERO C[C@@H]([NH2+]CCCC1CC1)C1CC1 129427787 490050760 /nfs/dbraw/zinc/05/07/60/490050760.db2.gz FVHGWNBQBMXGSJ-SECBINFHSA-N 1 0 167.296 2.565 10 0 AFAERO C[C@H]([NH2+]CCCC1CC1)C1CC1 129427551 490051088 /nfs/dbraw/zinc/05/10/88/490051088.db2.gz FVHGWNBQBMXGSJ-VIFPVBQESA-N 1 0 167.296 2.565 10 0 AFAERO FCCCC[NH2+]C1CCCCC1 141675683 490056857 /nfs/dbraw/zinc/05/68/57/490056857.db2.gz HHFIGSOUBTVDGD-UHFFFAOYSA-N 1 0 173.275 2.658 10 0 AFAERO CCC[C@@H](C)[NH2+]CC=C(C)C 219193753 490071493 /nfs/dbraw/zinc/07/14/93/490071493.db2.gz GNBBGRYLSKJGFX-SNVBAGLBSA-N 1 0 155.285 2.731 10 0 AFAERO CCC[C@H](C)[NH2+]CC=C(C)C 219193825 490071801 /nfs/dbraw/zinc/07/18/01/490071801.db2.gz GNBBGRYLSKJGFX-JTQLQIEISA-N 1 0 155.285 2.731 10 0 AFAERO C/C=C/C[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C 219726833 490073498 /nfs/dbraw/zinc/07/34/98/490073498.db2.gz DAFMYOISADBOTA-QCLDYOLQSA-N 1 0 181.323 2.977 10 0 AFAERO CCC(C)(CC)[NH2+]CC(C)C 220489839 490074823 /nfs/dbraw/zinc/07/48/23/490074823.db2.gz PQNFHNIOHOPYQR-UHFFFAOYSA-N 1 0 157.301 2.811 10 0 AFAERO CC(C)(C)CC[NH2+]CC1(C)CC1 220782507 490075821 /nfs/dbraw/zinc/07/58/21/490075821.db2.gz ACBMCAFOPDUAAG-UHFFFAOYSA-N 1 0 169.312 2.812 10 0 AFAERO CCCCC[NH2+][C@H](C)c1ncc(C)o1 220877749 490076873 /nfs/dbraw/zinc/07/68/73/490076873.db2.gz OZNZUJBYADKLNP-SNVBAGLBSA-N 1 0 196.294 2.824 10 0 AFAERO Cc1cnc([C@H](C)[NH2+]CCC(C)C)o1 220879829 490077141 /nfs/dbraw/zinc/07/71/41/490077141.db2.gz MHHWAJQPKMBBSI-JTQLQIEISA-N 1 0 196.294 2.680 10 0 AFAERO Cc1cnc([C@@H](C)[NH2+]CC(C)(C)C)o1 220918572 490077183 /nfs/dbraw/zinc/07/71/83/490077183.db2.gz WDPFZHPRAVPIEB-SECBINFHSA-N 1 0 196.294 2.680 10 0 AFAERO Cc1cnc([C@H](C)[NH2+]CC(C)(C)C)o1 220918645 490077196 /nfs/dbraw/zinc/07/71/96/490077196.db2.gz WDPFZHPRAVPIEB-VIFPVBQESA-N 1 0 196.294 2.680 10 0 AFAERO CCCCC[NH2+][C@@H](C)c1ncc(C)o1 220877696 490077204 /nfs/dbraw/zinc/07/72/04/490077204.db2.gz OZNZUJBYADKLNP-JTQLQIEISA-N 1 0 196.294 2.824 10 0 AFAERO Cc1cnc([C@@H](C)[NH2+]CCC(C)C)o1 220879775 490077227 /nfs/dbraw/zinc/07/72/27/490077227.db2.gz MHHWAJQPKMBBSI-SNVBAGLBSA-N 1 0 196.294 2.680 10 0 AFAERO CCC[C@@H]1C[C@H]1[NH2+]C[C@@H](C)CC 221315993 490079023 /nfs/dbraw/zinc/07/90/23/490079023.db2.gz NCQPFWSGJJERFB-HBNTYKKESA-N 1 0 169.312 2.811 10 0 AFAERO CC[N@H+](C)CC1CCCCCC1 221230810 490079097 /nfs/dbraw/zinc/07/90/97/490079097.db2.gz BBWWMYNAEVNPSY-UHFFFAOYSA-N 1 0 169.312 2.909 10 0 AFAERO CC[C@@H](C)C[NH2+]CC1(C)CCC1 221318404 490079187 /nfs/dbraw/zinc/07/91/87/490079187.db2.gz WPCYWUCLAPPKFS-SNVBAGLBSA-N 1 0 169.312 2.812 10 0 AFAERO CC[C@H](C)C[NH2+]CC1(C)CCC1 221318468 490079249 /nfs/dbraw/zinc/07/92/49/490079249.db2.gz WPCYWUCLAPPKFS-JTQLQIEISA-N 1 0 169.312 2.812 10 0 AFAERO CCC[C@@H]1C[C@@H]1[NH2+]C[C@@H](C)CC 221315879 490079567 /nfs/dbraw/zinc/07/95/67/490079567.db2.gz NCQPFWSGJJERFB-AXFHLTTASA-N 1 0 169.312 2.811 10 0 AFAERO CO[C@@H](C)[C@H](C)[NH2+][C@@H](C)C1CCCC1 223576651 490082805 /nfs/dbraw/zinc/08/28/05/490082805.db2.gz XLUPLIIAALGQMJ-DCAQKATOSA-N 1 0 199.338 2.578 10 0 AFAERO CC[C@H](C)[NH2+]C[C@@H]1CCC[C@H]1C 300231684 490091130 /nfs/dbraw/zinc/09/11/30/490091130.db2.gz DKWGSIMUMCYVSM-VWYCJHECSA-N 1 0 169.312 2.811 10 0 AFAERO CC[C@H](C)[NH2+]C[C@H]1CCC[C@H]1C 300231683 490091183 /nfs/dbraw/zinc/09/11/83/490091183.db2.gz DKWGSIMUMCYVSM-OUAUKWLOSA-N 1 0 169.312 2.811 10 0 AFAERO C/C=C/C[NH2+][C@@H]1CC[C@H](C)C[C@H]1C 300332795 490092606 /nfs/dbraw/zinc/09/26/06/490092606.db2.gz WKUBSCPGZYZYOS-MRPUBWEVSA-N 1 0 181.323 2.977 10 0 AFAERO CCC[C@@H]1C[C@H]1[NH2+]C[C@H](C)CC 300359144 490093928 /nfs/dbraw/zinc/09/39/28/490093928.db2.gz NCQPFWSGJJERFB-GMTAPVOTSA-N 1 0 169.312 2.811 10 0 AFAERO CCC[C@H](C)C[NH2+][C@@H]1CCO[C@H](C)C1 300358384 490093957 /nfs/dbraw/zinc/09/39/57/490093957.db2.gz GJKVYNYGIVERIU-QJPTWQEYSA-N 1 0 199.338 2.580 10 0 AFAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)C1CC1 300357763 490094014 /nfs/dbraw/zinc/09/40/14/490094014.db2.gz OYIFYFKGOGWHGO-IEBDPFPHSA-N 1 0 167.296 2.563 10 0 AFAERO CCC[C@@H]1C[C@@H]1[NH2+]C[C@H](C)CC 300359145 490094042 /nfs/dbraw/zinc/09/40/42/490094042.db2.gz NCQPFWSGJJERFB-MXWKQRLJSA-N 1 0 169.312 2.811 10 0 AFAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)C(C)C 300359150 490094072 /nfs/dbraw/zinc/09/40/72/490094072.db2.gz NFDCYFGLCULIRO-GMTAPVOTSA-N 1 0 169.312 2.809 10 0 AFAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)C(C)C 300359151 490094087 /nfs/dbraw/zinc/09/40/87/490094087.db2.gz NFDCYFGLCULIRO-MXWKQRLJSA-N 1 0 169.312 2.809 10 0 AFAERO CCC[C@H](C)C[NH2+][C@H]1CCO[C@H](C)C1 300358385 490094103 /nfs/dbraw/zinc/09/41/03/490094103.db2.gz GJKVYNYGIVERIU-TUAOUCFPSA-N 1 0 199.338 2.580 10 0 AFAERO CCC[C@H](C)[NH2+][C@@H]1C[C@H]1CCC 300359124 490094109 /nfs/dbraw/zinc/09/41/09/490094109.db2.gz MXTHUAIODDVYOJ-HBNTYKKESA-N 1 0 169.312 2.953 10 0 AFAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)C1CC1 300357762 490094121 /nfs/dbraw/zinc/09/41/21/490094121.db2.gz OYIFYFKGOGWHGO-FBIMIBRVSA-N 1 0 167.296 2.563 10 0 AFAERO CCC[C@H](C)C[NH2+][C@@]1(C)CCO[C@H]1C 300360646 490095301 /nfs/dbraw/zinc/09/53/01/490095301.db2.gz XLAHULDQOZKWBE-SRVKXCTJSA-N 1 0 199.338 2.580 10 0 AFAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](CC)C1CC1 300359761 490095313 /nfs/dbraw/zinc/09/53/13/490095313.db2.gz RDJSQHPPDXINRB-UTUOFQBUSA-N 1 0 181.323 2.953 10 0 AFAERO CCC[C@@H]1C[C@H]1[NH2+]C[C@H]1CCSC1 300363832 490095342 /nfs/dbraw/zinc/09/53/42/490095342.db2.gz GAQHCHPKOSOZGL-GMTAPVOTSA-N 1 0 199.363 2.518 10 0 AFAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)CC1CC1 300359941 490095365 /nfs/dbraw/zinc/09/53/65/490095365.db2.gz SHNIRHQFHBAMLR-YUSALJHKSA-N 1 0 181.323 2.953 10 0 AFAERO CCC[C@@H]1C[C@@H]1[NH2+]C[C@H]1CCSC1 300363833 490095405 /nfs/dbraw/zinc/09/54/05/490095405.db2.gz GAQHCHPKOSOZGL-MXWKQRLJSA-N 1 0 199.363 2.518 10 0 AFAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)CC 300360508 490095425 /nfs/dbraw/zinc/09/54/25/490095425.db2.gz ZOQJVWCNWLCTTE-BBBLOLIVSA-N 1 0 155.285 2.563 10 0 AFAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](CC)C1CC1 300359760 490095429 /nfs/dbraw/zinc/09/54/29/490095429.db2.gz RDJSQHPPDXINRB-IJLUTSLNSA-N 1 0 181.323 2.953 10 0 AFAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)CC 300360509 490095431 /nfs/dbraw/zinc/09/54/31/490095431.db2.gz ZOQJVWCNWLCTTE-OPRDCNLKSA-N 1 0 155.285 2.563 10 0 AFAERO CCC[C@H](C)C[NH2+][C@]1(C)CCO[C@H]1C 300360645 490095473 /nfs/dbraw/zinc/09/54/73/490095473.db2.gz XLAHULDQOZKWBE-SDDRHHMPSA-N 1 0 199.338 2.580 10 0 AFAERO CCC[C@@H]1C[C@@H]1Nc1cc[nH+]cc1C 300369870 490096860 /nfs/dbraw/zinc/09/68/60/490096860.db2.gz RZJATZCFHMPABT-PWSUYJOCSA-N 1 0 190.290 2.991 10 0 AFAERO CC1(C[NH2+]CCC2CCCC2)CC1 300717750 490097847 /nfs/dbraw/zinc/09/78/47/490097847.db2.gz WYFJQGTXYUZSHX-UHFFFAOYSA-N 1 0 181.323 2.956 10 0 AFAERO C[C@@H]1C[C@H]1C[NH2+]CCC1CCCC1 300717837 490098014 /nfs/dbraw/zinc/09/80/14/490098014.db2.gz XZNNUAHTEMYATK-PWSUYJOCSA-N 1 0 181.323 2.812 10 0 AFAERO C[C@@H]1C[C@@H]1C[NH2+]CCC1CCCC1 300717838 490098145 /nfs/dbraw/zinc/09/81/45/490098145.db2.gz XZNNUAHTEMYATK-ZYHUDNBSSA-N 1 0 181.323 2.812 10 0 AFAERO C[C@H]1C[C@@H]1C[NH2+]CCC1CCCC1 300717835 490098151 /nfs/dbraw/zinc/09/81/51/490098151.db2.gz XZNNUAHTEMYATK-CMPLNLGQSA-N 1 0 181.323 2.812 10 0 AFAERO C[C@H]1C[C@H]1C[NH2+]CCC1CCCC1 300717836 490098178 /nfs/dbraw/zinc/09/81/78/490098178.db2.gz XZNNUAHTEMYATK-JQWIXIFHSA-N 1 0 181.323 2.812 10 0 AFAERO CCC[C@H](CC)[NH2+][C@H]1CCOC[C@@H]1C 300789298 490102341 /nfs/dbraw/zinc/10/23/41/490102341.db2.gz BPKAXISLZTUPMS-SRVKXCTJSA-N 1 0 199.338 2.580 10 0 AFAERO CCC[C@H](CC)[NH2+][C@H]1CCOC[C@H]1C 300789299 490102641 /nfs/dbraw/zinc/10/26/41/490102641.db2.gz BPKAXISLZTUPMS-WOPDTQHZSA-N 1 0 199.338 2.580 10 0 AFAERO CCC[C@H](CC)[NH2+][C@@H]1CCOC[C@@H]1C 300789297 490102732 /nfs/dbraw/zinc/10/27/32/490102732.db2.gz BPKAXISLZTUPMS-SDDRHHMPSA-N 1 0 199.338 2.580 10 0 AFAERO CCC[C@H](CC)[NH2+][C@@H]1CCOC[C@H]1C 300789296 490102881 /nfs/dbraw/zinc/10/28/81/490102881.db2.gz BPKAXISLZTUPMS-GRYCIOLGSA-N 1 0 199.338 2.580 10 0 AFAERO CCCC[C@H](C)[NH2+][C@@H]1CCOC[C@H]1C 300831078 490104093 /nfs/dbraw/zinc/10/40/93/490104093.db2.gz HPKOHFWPYJZZDI-GRYCIOLGSA-N 1 0 199.338 2.580 10 0 AFAERO CCCC[C@H](C)[NH2+][C@@H]1CCOC[C@@H]1C 300831079 490104258 /nfs/dbraw/zinc/10/42/58/490104258.db2.gz HPKOHFWPYJZZDI-SDDRHHMPSA-N 1 0 199.338 2.580 10 0 AFAERO CCCC[C@H](C)[NH2+][C@H]1CCOC[C@@H]1C 300831081 490104390 /nfs/dbraw/zinc/10/43/90/490104390.db2.gz HPKOHFWPYJZZDI-SRVKXCTJSA-N 1 0 199.338 2.580 10 0 AFAERO CCCC[C@H](C)[NH2+][C@H]1CCOC[C@H]1C 300831083 490104478 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/nfs/dbraw/zinc/11/61/24/491116124.db2.gz LBEDKPRBKDFKTO-UHFFFAOYSA-N 1 0 193.334 2.953 10 0 AFAERO C[C@H]1CC[C@H]1[NH2+][C@H](C)Cc1ccoc1 308674307 491117130 /nfs/dbraw/zinc/11/71/30/491117130.db2.gz VTTHNTOJOCSJCQ-HOSYDEDBSA-N 1 0 193.290 2.599 10 0 AFAERO C[C@H]1CCCC[C@@H]1C[NH2+]CC1(F)CC1 308674263 491117138 /nfs/dbraw/zinc/11/71/38/491117138.db2.gz VSMORZHFJZGWII-WDEREUQCSA-N 1 0 199.313 2.904 10 0 AFAERO C[C@H](Cc1ccoc1)[NH2+][C@H]1CC[C@H]1C 308674306 491117144 /nfs/dbraw/zinc/11/71/44/491117144.db2.gz VTTHNTOJOCSJCQ-FOGDFJRCSA-N 1 0 193.290 2.599 10 0 AFAERO C[C@H](Cc1ccoc1)[NH2+][C@@H]1CC[C@H]1C 308674305 491117145 /nfs/dbraw/zinc/11/71/45/491117145.db2.gz VTTHNTOJOCSJCQ-CKYFFXLPSA-N 1 0 193.290 2.599 10 0 AFAERO C[C@H]1CC[C@@H]1[NH2+][C@H](C)Cc1ccoc1 308674308 491117151 /nfs/dbraw/zinc/11/71/51/491117151.db2.gz VTTHNTOJOCSJCQ-UMNHJUIQSA-N 1 0 193.290 2.599 10 0 AFAERO C[C@@H]1CCCC[C@@H]1C[NH2+]CC1(F)CC1 308674260 491117165 /nfs/dbraw/zinc/11/71/65/491117165.db2.gz VSMORZHFJZGWII-GHMZBOCLSA-N 1 0 199.313 2.904 10 0 AFAERO C[C@@H]1CCCC[C@H]1C[NH2+]CC1(F)CC1 308674261 491117194 /nfs/dbraw/zinc/11/71/94/491117194.db2.gz VSMORZHFJZGWII-MNOVXSKESA-N 1 0 199.313 2.904 10 0 AFAERO C[C@H]1CCCC[C@H]1C[NH2+]CC1(F)CC1 308674262 491117199 /nfs/dbraw/zinc/11/71/99/491117199.db2.gz VSMORZHFJZGWII-QWRGUYRKSA-N 1 0 199.313 2.904 10 0 AFAERO CC[C@@H](C)[NH2+][C@@H](C)CC1(OC)CCC1 308748547 491118872 /nfs/dbraw/zinc/11/88/72/491118872.db2.gz SPSZUIIVIOXGAA-MNOVXSKESA-N 1 0 199.338 2.722 10 0 AFAERO CC[C@H](C)[NH2+][C@@H](C)CC1(OC)CCC1 308748555 491118873 /nfs/dbraw/zinc/11/88/73/491118873.db2.gz SPSZUIIVIOXGAA-QWRGUYRKSA-N 1 0 199.338 2.722 10 0 AFAERO Cc1ccc([C@@H](C)[NH2+]CC[C@@H](C)F)o1 308686571 491117549 /nfs/dbraw/zinc/11/75/49/491117549.db2.gz ZTFILVQTRPVOPP-PSASIEDQSA-N 1 0 199.269 2.987 10 0 AFAERO Cc1ccc([C@@H](C)[NH2+]CC[C@H](C)F)o1 308686574 491117575 /nfs/dbraw/zinc/11/75/75/491117575.db2.gz ZTFILVQTRPVOPP-WCBMZHEXSA-N 1 0 199.269 2.987 10 0 AFAERO Cc1ccc([C@H](C)[NH2+]CC[C@H](C)F)o1 308686576 491117642 /nfs/dbraw/zinc/11/76/42/491117642.db2.gz ZTFILVQTRPVOPP-WPRPVWTQSA-N 1 0 199.269 2.987 10 0 AFAERO Cc1ccc([C@H](C)[NH2+]CC[C@@H](C)F)o1 308686573 491117656 /nfs/dbraw/zinc/11/76/56/491117656.db2.gz ZTFILVQTRPVOPP-SCZZXKLOSA-N 1 0 199.269 2.987 10 0 AFAERO Cc1cccc(C[NH2+]CC2(F)CC2)c1 308719856 491117839 /nfs/dbraw/zinc/11/78/39/491117839.db2.gz CRXZVSUMPNLZSN-UHFFFAOYSA-N 1 0 193.265 2.587 10 0 AFAERO Cc1ccccc1C[NH2+]CC1(F)CC1 308699177 491117864 /nfs/dbraw/zinc/11/78/64/491117864.db2.gz VOKKXGGQHVSHIY-UHFFFAOYSA-N 1 0 193.265 2.587 10 0 AFAERO CCC[C@@H](C)[NH2+]CCOCC1CCC1 308726680 491118087 /nfs/dbraw/zinc/11/80/87/491118087.db2.gz GVPXKPNAXFBHGX-LLVKDONJSA-N 1 0 199.338 2.581 10 0 AFAERO CCC[C@H](C)[NH2+]CCOCC1CCC1 308726684 491118228 /nfs/dbraw/zinc/11/82/28/491118228.db2.gz GVPXKPNAXFBHGX-NSHDSACASA-N 1 0 199.338 2.581 10 0 AFAERO CC[C@@H](C)[NH2+]C[C@H]1C[C@H](C)O[C@H](C)C1 308735208 491118348 /nfs/dbraw/zinc/11/83/48/491118348.db2.gz KXZMGMRMRQRMSV-WISYIIOYSA-N 1 0 199.338 2.578 10 0 AFAERO CC[C@H](C)[NH2+]C[C@H]1C[C@H](C)O[C@H](C)C1 308735209 491118383 /nfs/dbraw/zinc/11/83/83/491118383.db2.gz KXZMGMRMRQRMSV-YFKTTZPYSA-N 1 0 199.338 2.578 10 0 AFAERO CC[C@H](C)[NH2+]CC1C[C@H](C)O[C@@H](C)C1 308735205 491118456 /nfs/dbraw/zinc/11/84/56/491118456.db2.gz KXZMGMRMRQRMSV-DCAQKATOSA-N 1 0 199.338 2.578 10 0 AFAERO CCCC[C@@H](COC)[NH2+][C@@H]1CC1(C)C 308736343 491118460 /nfs/dbraw/zinc/11/84/60/491118460.db2.gz LNZPFNKNCXMFMT-WDEREUQCSA-N 1 0 199.338 2.580 10 0 AFAERO CC[C@H](C)[NH2+]CC1C[C@@H](C)O[C@H](C)C1 308735206 491118467 /nfs/dbraw/zinc/11/84/67/491118467.db2.gz KXZMGMRMRQRMSV-HBNTYKKESA-N 1 0 199.338 2.578 10 0 AFAERO CCCC[C@H](COC)[NH2+][C@@H]1CC1(C)C 308736340 491118478 /nfs/dbraw/zinc/11/84/78/491118478.db2.gz LNZPFNKNCXMFMT-GHMZBOCLSA-N 1 0 199.338 2.580 10 0 AFAERO CC[C@H](C)[NH2+][C@H](C)CC1(OC)CCC1 308748563 491118713 /nfs/dbraw/zinc/11/87/13/491118713.db2.gz SPSZUIIVIOXGAA-WDEREUQCSA-N 1 0 199.338 2.722 10 0 AFAERO CC[C@@H](C)[NH2+][C@H](C)CC1(OC)CCC1 308748540 491118734 /nfs/dbraw/zinc/11/87/34/491118734.db2.gz SPSZUIIVIOXGAA-GHMZBOCLSA-N 1 0 199.338 2.722 10 0 AFAERO Cc1occc1C[NH2+]CC1(C)CCC1 308745341 491118768 /nfs/dbraw/zinc/11/87/68/491118768.db2.gz QYVCVFXTDNGNIZ-UHFFFAOYSA-N 1 0 193.290 2.868 10 0 AFAERO Cc1ccc(C[NH2+]CC2(F)CC2)cc1 308751021 491118862 /nfs/dbraw/zinc/11/88/62/491118862.db2.gz UKSKWZWWLJGKPC-UHFFFAOYSA-N 1 0 193.265 2.587 10 0 AFAERO CCC(CC)(CC)[NH2+]Cc1cocn1 308760209 491118919 /nfs/dbraw/zinc/11/89/19/491118919.db2.gz XOULJBRKYGXSEF-UHFFFAOYSA-N 1 0 196.294 2.733 10 0 AFAERO CCC(CC)[NH2+]CCOCC1CCC1 308760727 491118952 /nfs/dbraw/zinc/11/89/52/491118952.db2.gz XULCYXKTUOIVPP-UHFFFAOYSA-N 1 0 199.338 2.581 10 0 AFAERO CC[C@@H](C)[NH2+]CC1CCC(OC)CC1 308764631 491119079 /nfs/dbraw/zinc/11/90/79/491119079.db2.gz ZUTLRSHLFHFNES-VOMCLLRMSA-N 1 0 199.338 2.580 10 0 AFAERO CC[C@H](C)[NH2+]CCCC1CCOCC1 308763942 491119098 /nfs/dbraw/zinc/11/90/98/491119098.db2.gz ZIZZIOCYMLVNBI-NSHDSACASA-N 1 0 199.338 2.581 10 0 AFAERO CC[C@H](C)[NH2+]CC1CCC(OC)CC1 308764627 491119195 /nfs/dbraw/zinc/11/91/95/491119195.db2.gz ZUTLRSHLFHFNES-UNXYVOJBSA-N 1 0 199.338 2.580 10 0 AFAERO CCC(CC)C[NH2+][C@@H]1[C@H]2CCC[C@H]21 388354301 491119483 /nfs/dbraw/zinc/11/94/83/491119483.db2.gz PQJASRIERSMJPA-GDNZZTSVSA-N 1 0 181.323 2.811 10 0 AFAERO CC1(C[NH2+][C@@H]2CC[C@@H]2C2CCC2)CC1 389315095 491119537 /nfs/dbraw/zinc/11/95/37/491119537.db2.gz PWZGMLFMPFVWGK-VXGBXAGGSA-N 1 0 193.334 2.955 10 0 AFAERO CC1(C[NH2+][C@H]2CC[C@H]2C2CCC2)CC1 389315081 491119572 /nfs/dbraw/zinc/11/95/72/491119572.db2.gz PWZGMLFMPFVWGK-RYUDHWBXSA-N 1 0 193.334 2.955 10 0 AFAERO CC1(C[NH2+][C@H]2CC[C@@H]2C2CCC2)CC1 389315076 491119605 /nfs/dbraw/zinc/11/96/05/491119605.db2.gz PWZGMLFMPFVWGK-NEPJUHHUSA-N 1 0 193.334 2.955 10 0 AFAERO CC1(C[NH2+][C@@H]2CC[C@H]2C2CCC2)CC1 389315077 491119607 /nfs/dbraw/zinc/11/96/07/491119607.db2.gz PWZGMLFMPFVWGK-NWDGAFQWSA-N 1 0 193.334 2.955 10 0 AFAERO CCOCC[N@H+](C(CC)CC)C1CC1 591470499 491120227 /nfs/dbraw/zinc/12/02/27/491120227.db2.gz BHVNPRPRFVXJLT-UHFFFAOYSA-N 1 0 199.338 2.676 10 0 AFAERO C[NH+](C)CCCCc1ccccc1 13590032 1188766502 /nfs/dbraw/zinc/76/65/02/1188766502.db2.gz VTFLIYPNOKEFRW-UHFFFAOYSA-N 1 0 177.291 2.571 10 0 AFAERO CCCC(CCC)[NH2+]CC 19435799 1188766835 /nfs/dbraw/zinc/76/68/35/1188766835.db2.gz ZCXBSOBHQWXLOG-UHFFFAOYSA-N 1 0 143.274 2.565 10 0 AFAERO CCCCCC[C@H](C)OCCC[NH3+] 20369274 1188767257 /nfs/dbraw/zinc/76/72/57/1188767257.db2.gz IIHVOMZTWIEUSS-NSHDSACASA-N 1 0 187.327 2.711 10 0 AFAERO CCCOCC[NH2+]C1CCCCCC1 53588293 1188769125 /nfs/dbraw/zinc/76/91/25/1188769125.db2.gz ZHXPRFZIGLFCNB-UHFFFAOYSA-N 1 0 199.338 2.725 10 0 AFAERO CCCC[C@H](CC(C)C)[NH2+]C 53824718 1188769376 /nfs/dbraw/zinc/76/93/76/1188769376.db2.gz JETODARBIRXFCY-SNVBAGLBSA-N 1 0 157.301 2.811 10 0 AFAERO CCCOCC[NH2+][C@@H]1CCC[C@@H](C)C1 53588225 1188769502 /nfs/dbraw/zinc/76/95/02/1188769502.db2.gz XGZLUCHMRNPAHW-VXGBXAGGSA-N 1 0 199.338 2.581 10 0 AFAERO CCCOCCC[NH2+]C1CCCCC1 53588261 1188769701 /nfs/dbraw/zinc/76/97/01/1188769701.db2.gz SEZIKZSFPJLGEG-UHFFFAOYSA-N 1 0 199.338 2.725 10 0 AFAERO CCCOCC[NH2+]C1CCC(C)CC1 53588155 1188769711 /nfs/dbraw/zinc/76/97/11/1188769711.db2.gz ZWHODKJLVVVCAR-UHFFFAOYSA-N 1 0 199.338 2.581 10 0 AFAERO CC[C@@H](C)c1ccc(C[NH2+]C)cc1 58519169 1188769827 /nfs/dbraw/zinc/76/98/27/1188769827.db2.gz NMPLDBPIJSKGBZ-SNVBAGLBSA-N 1 0 177.291 2.920 10 0 AFAERO CCCOCC[NH2+][C@@H]1CCC[C@H](C)C1 53588223 1188769927 /nfs/dbraw/zinc/76/99/27/1188769927.db2.gz XGZLUCHMRNPAHW-NWDGAFQWSA-N 1 0 199.338 2.581 10 0 AFAERO CC[NH2+][C@@H](CCC(C)C)C1CC1 53827910 1188769954 /nfs/dbraw/zinc/76/99/54/1188769954.db2.gz FAFHTZNOIWCQNK-NSHDSACASA-N 1 0 169.312 2.811 10 0 AFAERO CCCOCC[NH2+][C@H]1CCC[C@@H](C)C1 53588226 1188770106 /nfs/dbraw/zinc/77/01/06/1188770106.db2.gz XGZLUCHMRNPAHW-NEPJUHHUSA-N 1 0 199.338 2.581 10 0 AFAERO CCCCc1ccc(C[NH2+]C)cc1 58519162 1188770278 /nfs/dbraw/zinc/77/02/78/1188770278.db2.gz HQIUUQQLUPDTNF-UHFFFAOYSA-N 1 0 177.291 2.749 10 0 AFAERO CCCOCC[NH2+][C@H]1CCC[C@H](C)C1 53588224 1188770372 /nfs/dbraw/zinc/77/03/72/1188770372.db2.gz XGZLUCHMRNPAHW-RYUDHWBXSA-N 1 0 199.338 2.581 10 0 AFAERO CCCC[C@@H](CC(C)C)[NH2+]C 53824716 1188770408 /nfs/dbraw/zinc/77/04/08/1188770408.db2.gz JETODARBIRXFCY-JTQLQIEISA-N 1 0 157.301 2.811 10 0 AFAERO CC[C@H](C)c1ccc(C[NH2+]C)cc1 58519171 1188770536 /nfs/dbraw/zinc/77/05/36/1188770536.db2.gz NMPLDBPIJSKGBZ-JTQLQIEISA-N 1 0 177.291 2.920 10 0 AFAERO CC[NH2+][C@H](CCC(C)C)C1CC1 53827912 1188770680 /nfs/dbraw/zinc/77/06/80/1188770680.db2.gz FAFHTZNOIWCQNK-LLVKDONJSA-N 1 0 169.312 2.811 10 0 AFAERO CCCCC[C@@H](CC)OCCC[NH3+] 59465669 1188771219 /nfs/dbraw/zinc/77/12/19/1188771219.db2.gz MOJWNYZQHMIKQG-LLVKDONJSA-N 1 0 187.327 2.711 10 0 AFAERO C[C@@H]1CC[C@@H]([NH+]2CCCCC2)C1 59567081 1188771270 /nfs/dbraw/zinc/77/12/70/1188771270.db2.gz QCNYNTNSESLSOA-GHMZBOCLSA-N 1 0 167.296 2.661 10 0 AFAERO CCCCC[C@H](CC)OCCC[NH3+] 59465671 1188771339 /nfs/dbraw/zinc/77/13/39/1188771339.db2.gz MOJWNYZQHMIKQG-NSHDSACASA-N 1 0 187.327 2.711 10 0 AFAERO CC(C)=Cc1cccc(C[NH3+])c1 59680227 1188771378 /nfs/dbraw/zinc/77/13/78/1188771378.db2.gz QOCQZRVZJUXMGG-UHFFFAOYSA-N 1 0 161.248 2.569 10 0 AFAERO CCC(CC)[NH2+]CCC(F)(F)F 59099858 1188771452 /nfs/dbraw/zinc/77/14/52/1188771452.db2.gz AINBZEGKYSORMU-UHFFFAOYSA-N 1 0 183.217 2.717 10 0 AFAERO CCCC[C@@H](C)[NH2+]C(C)(C)C 59378614 1188771706 /nfs/dbraw/zinc/77/17/06/1188771706.db2.gz GZNCIMQWOXXUCQ-SECBINFHSA-N 1 0 157.301 2.953 10 0 AFAERO C[C@H]1CC[C@H]([NH+]2CCCCC2)C1 59567079 1188771713 /nfs/dbraw/zinc/77/17/13/1188771713.db2.gz QCNYNTNSESLSOA-QWRGUYRKSA-N 1 0 167.296 2.661 10 0 AFAERO CC1(C)CC[C@@H]([NH+]2CCCC2)C1 59567152 1188771854 /nfs/dbraw/zinc/77/18/54/1188771854.db2.gz KWGNGOGXUDKDDG-SNVBAGLBSA-N 1 0 167.296 2.661 10 0 AFAERO C[C@H]1CC[C@@H]([NH+]2CCCCC2)C1 59567084 1188771879 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