smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1cc(CN2CCC3(CC2)CC[NH+](Cc2cccc(F)c2)CC3)cn1 ZINC000096047231 494998609 /nfs/dbraw/zinc/99/86/09/494998609.db2.gz NOJFOEMPOXNHOD-UHFFFAOYSA-N 1 3 356.489 3.437 40 0 FGABHO CN(C)CCn1nc([C@H]2CC[N@H+](C[C@@H]3CC=CCC3)C2)c2cccnc21 ZINC000257310619 497402490 /nfs/dbraw/zinc/40/24/90/497402490.db2.gz UFXHLBPWUVIAKZ-MSOLQXFVSA-N 1 3 353.514 3.139 40 0 FGABHO CN(C)CCn1nc([C@H]2CC[N@@H+](C[C@@H]3CC=CCC3)C2)c2cccnc21 ZINC000257310619 497402496 /nfs/dbraw/zinc/40/24/96/497402496.db2.gz UFXHLBPWUVIAKZ-MSOLQXFVSA-N 1 3 353.514 3.139 40 0 FGABHO Cc1cccc(C[N@H+]2CC[C@@H](c3nn(CCN(C)C)c4ncccc34)C2)c1 ZINC000019234942 494439154 /nfs/dbraw/zinc/43/91/54/494439154.db2.gz GBFMMZJHZIAGOT-LJQANCHMSA-N 1 3 363.509 3.291 40 0 FGABHO Cc1cccc(C[N@@H+]2CC[C@@H](c3nn(CCN(C)C)c4ncccc34)C2)c1 ZINC000019234942 494439155 /nfs/dbraw/zinc/43/91/55/494439155.db2.gz GBFMMZJHZIAGOT-LJQANCHMSA-N 1 3 363.509 3.291 40 0 FGABHO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(Cc1ccc(C)o1)CC2 ZINC000096051794 494999497 /nfs/dbraw/zinc/99/94/97/494999497.db2.gz ATGWUONFOAHKOT-HXUWFJFHSA-N 1 3 369.509 3.486 40 0 FGABHO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(Cc1ccc(C)o1)CC2 ZINC000096051794 494999501 /nfs/dbraw/zinc/99/95/01/494999501.db2.gz ATGWUONFOAHKOT-HXUWFJFHSA-N 1 3 369.509 3.486 40 0 FGABHO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(Cc1ccco1)CC2 ZINC000096051785 495000278 /nfs/dbraw/zinc/00/02/78/495000278.db2.gz MDCUBZPLSOZCGN-LJQANCHMSA-N 1 3 355.482 3.178 40 0 FGABHO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(Cc1ccco1)CC2 ZINC000096051785 495000279 /nfs/dbraw/zinc/00/02/79/495000279.db2.gz MDCUBZPLSOZCGN-LJQANCHMSA-N 1 3 355.482 3.178 40 0 FGABHO C[N@@H+]1CCc2nc([C@H]3CCCN(Cc4ccnc5ccccc45)C3)ncc2C1 ZINC000019590483 494451462 /nfs/dbraw/zinc/45/14/62/494451462.db2.gz IBGIGFLIORCKRR-SFHVURJKSA-N 1 3 373.504 3.392 40 0 FGABHO C[N@H+]1CCc2nc([C@H]3CCCN(Cc4ccnc5ccccc45)C3)ncc2C1 ZINC000019590483 494451465 /nfs/dbraw/zinc/45/14/65/494451465.db2.gz IBGIGFLIORCKRR-SFHVURJKSA-N 1 3 373.504 3.392 40 0 FGABHO C[N@@H+]1CCc2nc([C@@H]3CCCN(Cc4ccnc5ccccc45)C3)ncc2C1 ZINC000019590482 494451732 /nfs/dbraw/zinc/45/17/32/494451732.db2.gz IBGIGFLIORCKRR-GOSISDBHSA-N 1 3 373.504 3.392 40 0 FGABHO C[N@H+]1CCc2nc([C@@H]3CCCN(Cc4ccnc5ccccc45)C3)ncc2C1 ZINC000019590482 494451737 /nfs/dbraw/zinc/45/17/37/494451737.db2.gz IBGIGFLIORCKRR-GOSISDBHSA-N 1 3 373.504 3.392 40 0 FGABHO COC[C@H]1CC2(C[N@@H+]1Cc1ccncc1)CCN(Cc1ccco1)CC2 ZINC000096207729 495006729 /nfs/dbraw/zinc/00/67/29/495006729.db2.gz HVGYOORDIPSGKO-LJQANCHMSA-N 1 3 355.482 3.178 40 0 FGABHO COC[C@H]1CC2(C[N@H+]1Cc1ccncc1)CCN(Cc1ccco1)CC2 ZINC000096207729 495006732 /nfs/dbraw/zinc/00/67/32/495006732.db2.gz HVGYOORDIPSGKO-LJQANCHMSA-N 1 3 355.482 3.178 40 0 FGABHO COCCN1C[C@H]2C[N@H+](Cc3cccc(C)n3)CC[C@]2(c2ccccc2)C1 ZINC000107260156 206018140 /nfs/dbraw/zinc/01/81/40/206018140.db2.gz KTQCJPQBBIUQQF-FYYLOGMGSA-N 1 3 365.521 3.112 40 0 FGABHO COCCN1C[C@H]2C[N@@H+](Cc3cccc(C)n3)CC[C@]2(c2ccccc2)C1 ZINC000107260156 206018147 /nfs/dbraw/zinc/01/81/47/206018147.db2.gz KTQCJPQBBIUQQF-FYYLOGMGSA-N 1 3 365.521 3.112 40 0 FGABHO C[NH+](C)Cc1cccc(-c2cccnc2C(=O)NCCN2CCCCC2)c1 ZINC000257341465 497404805 /nfs/dbraw/zinc/40/48/05/497404805.db2.gz ZKLNYAUFTPLAPF-UHFFFAOYSA-N 1 3 366.509 3.026 40 0 FGABHO Cc1ccc(CN2CCOC[C@]3(CC[C@@H](C[N@@H+](C)C(C)C)O3)C2)s1 ZINC000107739561 206023715 /nfs/dbraw/zinc/02/37/15/206023715.db2.gz PXUDWTQXAAJOPA-HKUYNNGSSA-N 1 3 352.544 3.147 40 0 FGABHO Cc1ccc(CN2CCOC[C@]3(CC[C@@H](C[N@H+](C)C(C)C)O3)C2)s1 ZINC000107739561 206023720 /nfs/dbraw/zinc/02/37/20/206023720.db2.gz PXUDWTQXAAJOPA-HKUYNNGSSA-N 1 3 352.544 3.147 40 0 FGABHO Cc1ccc(CN2CCOC[C@]3(C[C@H](C[N@@H+](C)C(C)C)CO3)C2)s1 ZINC000096051985 494999590 /nfs/dbraw/zinc/99/95/90/494999590.db2.gz XZWIGDAYPLGCFS-MJGOQNOKSA-N 1 3 352.544 3.004 40 0 FGABHO Cc1ccc(CN2CCOC[C@]3(C[C@H](C[N@H+](C)C(C)C)CO3)C2)s1 ZINC000096051985 494999593 /nfs/dbraw/zinc/99/95/93/494999593.db2.gz XZWIGDAYPLGCFS-MJGOQNOKSA-N 1 3 352.544 3.004 40 0 FGABHO COc1cccc(CN2CCC[C@]3(CC[N@H+](CCN4CCCC4)C3)C2)c1 ZINC000096215673 495007941 /nfs/dbraw/zinc/00/79/41/495007941.db2.gz BKVRVNRFLQHYMD-JOCHJYFZSA-N 1 3 357.542 3.079 40 0 FGABHO COc1cccc(CN2CCC[C@]3(CC[N@@H+](CCN4CCCC4)C3)C2)c1 ZINC000096215673 495007944 /nfs/dbraw/zinc/00/79/44/495007944.db2.gz BKVRVNRFLQHYMD-JOCHJYFZSA-N 1 3 357.542 3.079 40 0 FGABHO COC[C@H]1C[N@H+](Cc2ccccn2)CC12CCN(Cc1ccc(C)o1)CC2 ZINC000585103880 507570087 /nfs/dbraw/zinc/57/00/87/507570087.db2.gz SUCYFXGSTNOBQS-LJQANCHMSA-N 1 3 369.509 3.344 40 0 FGABHO COC[C@H]1C[N@@H+](Cc2ccccn2)CC12CCN(Cc1ccc(C)o1)CC2 ZINC000585103880 507570093 /nfs/dbraw/zinc/57/00/93/507570093.db2.gz SUCYFXGSTNOBQS-LJQANCHMSA-N 1 3 369.509 3.344 40 0 FGABHO Cc1ccc(CN2CCOC[C@@]3(CC[C@H](C[N@@H+](C)C(C)C)O3)C2)s1 ZINC000096052312 494999530 /nfs/dbraw/zinc/99/95/30/494999530.db2.gz PXUDWTQXAAJOPA-IEBWSBKVSA-N 1 3 352.544 3.147 40 0 FGABHO Cc1ccc(CN2CCOC[C@@]3(CC[C@H](C[N@H+](C)C(C)C)O3)C2)s1 ZINC000096052312 494999534 /nfs/dbraw/zinc/99/95/34/494999534.db2.gz PXUDWTQXAAJOPA-IEBWSBKVSA-N 1 3 352.544 3.147 40 0 FGABHO Cc1ccc([C@@H](C)CC[NH2+]C[C@H]2CC[C@@]3(COCCN(C(C)C)C3)O2)o1 ZINC000247904698 496926753 /nfs/dbraw/zinc/92/67/53/496926753.db2.gz JKSGYUVYDVUQAA-FBBABVLZSA-N 1 3 364.530 3.330 40 0 FGABHO COC[C@@H]1CN(Cc2ccccn2)CC12CC[NH+](Cc1ccccc1)CC2 ZINC000585103658 507571422 /nfs/dbraw/zinc/57/14/22/507571422.db2.gz QTEIIGFWKSHLQB-NRFANRHFSA-N 1 3 365.521 3.442 40 0 FGABHO C[NH+]1CCC(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)CC1 ZINC000113935300 206092309 /nfs/dbraw/zinc/09/23/09/206092309.db2.gz UINFYQNADUTBAB-UHFFFAOYSA-N 1 3 363.505 3.069 40 0 FGABHO CCOc1ccc(CN2CCC(c3ncc4c(n3)CC[N@@H+](C)C4)CC2)cc1 ZINC000019533211 494447794 /nfs/dbraw/zinc/44/77/94/494447794.db2.gz SPCPLCITMQLUNV-UHFFFAOYSA-N 1 3 366.509 3.243 40 0 FGABHO CCOc1ccc(CN2CCC(c3ncc4c(n3)CC[N@H+](C)C4)CC2)cc1 ZINC000019533211 494447798 /nfs/dbraw/zinc/44/77/98/494447798.db2.gz SPCPLCITMQLUNV-UHFFFAOYSA-N 1 3 366.509 3.243 40 0 FGABHO Cc1ccc(CN2CCOC[C@@]3(C[C@H](C[N@@H+](C)C(C)C)CO3)C2)s1 ZINC000096051986 495000346 /nfs/dbraw/zinc/00/03/46/495000346.db2.gz XZWIGDAYPLGCFS-IEBWSBKVSA-N 1 3 352.544 3.004 40 0 FGABHO Cc1ccc(CN2CCOC[C@@]3(C[C@H](C[N@H+](C)C(C)C)CO3)C2)s1 ZINC000096051986 495000347 /nfs/dbraw/zinc/00/03/47/495000347.db2.gz XZWIGDAYPLGCFS-IEBWSBKVSA-N 1 3 352.544 3.004 40 0 FGABHO c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@@]23CCN(C2CCC2)C3)c1 ZINC000096215139 495007973 /nfs/dbraw/zinc/00/79/73/495007973.db2.gz NKYLKIMBHCNPLK-IFMALSPDSA-N 1 3 355.526 3.185 40 0 FGABHO c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(C2CCC2)C3)c1 ZINC000096215139 495007975 /nfs/dbraw/zinc/00/79/75/495007975.db2.gz NKYLKIMBHCNPLK-IFMALSPDSA-N 1 3 355.526 3.185 40 0 FGABHO c1cncc(COC[C@H]2CN(CC3CC3)C[C@@]23CC[N@@H+](C2CCC2)C3)c1 ZINC000096215139 495007976 /nfs/dbraw/zinc/00/79/76/495007976.db2.gz NKYLKIMBHCNPLK-IFMALSPDSA-N 1 3 355.526 3.185 40 0 FGABHO c1cncc(COC[C@H]2CN(CC3CC3)C[C@@]23CC[N@H+](C2CCC2)C3)c1 ZINC000096215139 495007978 /nfs/dbraw/zinc/00/79/78/495007978.db2.gz NKYLKIMBHCNPLK-IFMALSPDSA-N 1 3 355.526 3.185 40 0 FGABHO CC(=O)N1CCC2(CC[N@H+](CC3CCN(Cc4ccccc4)CC3)C2)CC1 ZINC000096268706 495008531 /nfs/dbraw/zinc/00/85/31/495008531.db2.gz ARUZGUPSFJUPFW-UHFFFAOYSA-N 1 3 369.553 3.233 40 0 FGABHO CC(=O)N1CCC2(CC[N@@H+](CC3CCN(Cc4ccccc4)CC3)C2)CC1 ZINC000096268706 495008535 /nfs/dbraw/zinc/00/85/35/495008535.db2.gz ARUZGUPSFJUPFW-UHFFFAOYSA-N 1 3 369.553 3.233 40 0 FGABHO CC(C)[N@@H+]1CCOC[C@@]2(CC[C@@H](CNCc3ccccc3Cl)O2)C1 ZINC000306124520 498736423 /nfs/dbraw/zinc/73/64/23/498736423.db2.gz BSKJYOTXXKISIE-PKOBYXMFSA-N 1 3 352.906 3.088 40 0 FGABHO CC(C)[N@H+]1CCOC[C@@]2(CC[C@@H](CNCc3ccccc3Cl)O2)C1 ZINC000306124520 498736429 /nfs/dbraw/zinc/73/64/29/498736429.db2.gz BSKJYOTXXKISIE-PKOBYXMFSA-N 1 3 352.906 3.088 40 0 FGABHO [NH3+]CCn1nc([C@H]2CCN(Cc3cccc(Cl)c3)C2)c2cccnc21 ZINC000019293387 494440873 /nfs/dbraw/zinc/44/08/73/494440873.db2.gz MZTICSVXNQGYSW-HNNXBMFYSA-N 1 3 355.873 3.033 40 0 FGABHO COC[C@H]1CC2(C[N@@H+]1Cc1cccnc1)CCN(Cc1ccco1)CC2 ZINC000096208104 209134221 /nfs/dbraw/zinc/13/42/21/209134221.db2.gz DWIAHKPKJPYAOT-LJQANCHMSA-N 1 3 355.482 3.178 40 0 FGABHO COC[C@H]1CC2(C[N@H+]1Cc1cccnc1)CCN(Cc1ccco1)CC2 ZINC000096208104 209134224 /nfs/dbraw/zinc/13/42/24/209134224.db2.gz DWIAHKPKJPYAOT-LJQANCHMSA-N 1 3 355.482 3.178 40 0 FGABHO [NH3+]CCn1nc([C@@H]2CCN(Cc3ccccc3Cl)C2)c2cccnc21 ZINC000019348806 494441825 /nfs/dbraw/zinc/44/18/25/494441825.db2.gz UJRIRDBKKZRMPD-OAHLLOKOSA-N 1 3 355.873 3.033 40 0 FGABHO [NH3+]CCn1nc([C@H]2CCN(Cc3ccccc3Cl)C2)c2cccnc21 ZINC000019348808 494442252 /nfs/dbraw/zinc/44/22/52/494442252.db2.gz UJRIRDBKKZRMPD-HNNXBMFYSA-N 1 3 355.873 3.033 40 0 FGABHO COC[C@@H]1C[N@H+](Cc2ccccn2)CC12CCN(Cc1ccc(C)o1)CC2 ZINC000585103876 507571194 /nfs/dbraw/zinc/57/11/94/507571194.db2.gz SUCYFXGSTNOBQS-IBGZPJMESA-N 1 3 369.509 3.344 40 0 FGABHO COC[C@@H]1C[N@@H+](Cc2ccccn2)CC12CCN(Cc1ccc(C)o1)CC2 ZINC000585103876 507571200 /nfs/dbraw/zinc/57/12/00/507571200.db2.gz SUCYFXGSTNOBQS-IBGZPJMESA-N 1 3 369.509 3.344 40 0 FGABHO CCc1ncc(CN(C)C2CCC3(CC2)C[NH2+]Cc2ccccc2O3)cn1 ZINC000019523288 494447865 /nfs/dbraw/zinc/44/78/65/494447865.db2.gz JHMAYBRHKHCKQT-UHFFFAOYSA-N 1 3 366.509 3.334 40 0 FGABHO COC[C@@H]1CC2(C[N@@H+]1Cc1ccncc1)CCN(Cc1ccco1)CC2 ZINC000096207728 209134198 /nfs/dbraw/zinc/13/41/98/209134198.db2.gz HVGYOORDIPSGKO-IBGZPJMESA-N 1 3 355.482 3.178 40 0 FGABHO COC[C@@H]1CC2(C[N@H+]1Cc1ccncc1)CCN(Cc1ccco1)CC2 ZINC000096207728 209134202 /nfs/dbraw/zinc/13/42/02/209134202.db2.gz HVGYOORDIPSGKO-IBGZPJMESA-N 1 3 355.482 3.178 40 0 FGABHO COC[C@H]1C[N@H+](Cc2cccs2)CC12CCN(C1CCOCC1)CC2 ZINC000585102708 507568493 /nfs/dbraw/zinc/56/84/93/507568493.db2.gz BGCBMQWRQWCAGS-QGZVFWFLSA-N 1 3 364.555 3.088 40 0 FGABHO COC[C@H]1C[N@@H+](Cc2cccs2)CC12CCN(C1CCOCC1)CC2 ZINC000585102708 507568501 /nfs/dbraw/zinc/56/85/01/507568501.db2.gz BGCBMQWRQWCAGS-QGZVFWFLSA-N 1 3 364.555 3.088 40 0 FGABHO C1=C[C@H]2C[C@@H]1C[C@@H]2C[NH+]1CCN(C2CCN(Cc3ccccc3)CC2)CC1 ZINC000019900084 518577691 /nfs/dbraw/zinc/57/76/91/518577691.db2.gz WRMZIXYYJUVUQD-XPWALMASSA-N 1 3 365.565 3.481 40 0 FGABHO COCCN1C[C@@H]2C[N@H+](Cc3cccc(C)n3)CC[C@]2(c2ccccc2)C1 ZINC000096251765 209143896 /nfs/dbraw/zinc/14/38/96/209143896.db2.gz KTQCJPQBBIUQQF-JTHBVZDNSA-N 1 3 365.521 3.112 40 0 FGABHO COCCN1C[C@@H]2C[N@@H+](Cc3cccc(C)n3)CC[C@]2(c2ccccc2)C1 ZINC000096251765 209143899 /nfs/dbraw/zinc/14/38/99/209143899.db2.gz KTQCJPQBBIUQQF-JTHBVZDNSA-N 1 3 365.521 3.112 40 0 FGABHO COc1cc(CN(C)C[C@H](O)c2ccccc2)ccc1OCCC[NH+](C)C ZINC000257323608 497403526 /nfs/dbraw/zinc/40/35/26/497403526.db2.gz WLBKMNULAOWOCF-FQEVSTJZSA-N 1 3 372.509 3.191 40 0 FGABHO O=C(NCCC[NH+]1CCCCC1)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000039747842 263399729 /nfs/dbraw/zinc/39/97/29/263399729.db2.gz PSEWDRXVCDBVHD-UHFFFAOYSA-N 1 3 361.505 3.030 40 0 FGABHO C[NH+](C)C[C@H]1CC[C@]2(COCCN(Cc3cccc4ccccc43)C2)O1 ZINC000306142394 210057733 /nfs/dbraw/zinc/05/77/33/210057733.db2.gz WYJLVFPJOJSAGE-IRLDBZIGSA-N 1 3 354.494 3.151 40 0 FGABHO CN1CCCC[C@H]1CNC(=O)c1ncccc1-c1cccc(C[NH+](C)C)c1 ZINC000257226235 223027887 /nfs/dbraw/zinc/02/78/87/223027887.db2.gz FJSUZEUAYLZTIY-IBGZPJMESA-N 1 3 366.509 3.024 40 0 FGABHO OCCN(Cc1c2cccnc2[nH]c1[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000019371509 211218850 /nfs/dbraw/zinc/21/88/50/211218850.db2.gz AYIJLZVSEQULGJ-GOSISDBHSA-N 1 3 364.493 3.024 40 0 FGABHO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(Cc1ccoc1)CC2 ZINC000096240365 222095866 /nfs/dbraw/zinc/09/58/66/222095866.db2.gz VGHFRVMDUFRUCU-FQEVSTJZSA-N 1 3 355.482 3.178 40 0 FGABHO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(Cc1ccoc1)CC2 ZINC000096240365 222095869 /nfs/dbraw/zinc/09/58/69/222095869.db2.gz VGHFRVMDUFRUCU-FQEVSTJZSA-N 1 3 355.482 3.178 40 0 FGABHO COC[C@@H]1CC2(C[N@@H+]1Cc1ccncc1)CCN(Cc1ccoc1)CC2 ZINC000096208108 222078902 /nfs/dbraw/zinc/07/89/02/222078902.db2.gz AXJNDWRTFDYLAG-FQEVSTJZSA-N 1 3 355.482 3.178 40 0 FGABHO COC[C@@H]1CC2(C[N@H+]1Cc1ccncc1)CCN(Cc1ccoc1)CC2 ZINC000096208108 222078906 /nfs/dbraw/zinc/07/89/06/222078906.db2.gz AXJNDWRTFDYLAG-FQEVSTJZSA-N 1 3 355.482 3.178 40 0 FGABHO COC[C@H]1C[N@H+](CC2CCOCC2)CC12CCN(Cc1ccccc1)CC2 ZINC000585104083 507571355 /nfs/dbraw/zinc/57/13/55/507571355.db2.gz VXWFKEMOZRJRJP-JOCHJYFZSA-N 1 3 372.553 3.274 40 0 FGABHO COC[C@H]1C[N@@H+](CC2CCOCC2)CC12CCN(Cc1ccccc1)CC2 ZINC000585104083 507571363 /nfs/dbraw/zinc/57/13/63/507571363.db2.gz VXWFKEMOZRJRJP-JOCHJYFZSA-N 1 3 372.553 3.274 40 0 FGABHO COC[C@@H]1CC2(C[N@@H+]1Cc1cccnc1)CCN(Cc1ccoc1)CC2 ZINC000096208116 222078316 /nfs/dbraw/zinc/07/83/16/222078316.db2.gz AKALAZBMSICJPZ-FQEVSTJZSA-N 1 3 355.482 3.178 40 0 FGABHO COC[C@@H]1CC2(C[N@H+]1Cc1cccnc1)CCN(Cc1ccoc1)CC2 ZINC000096208116 222078320 /nfs/dbraw/zinc/07/83/20/222078320.db2.gz AKALAZBMSICJPZ-FQEVSTJZSA-N 1 3 355.482 3.178 40 0 FGABHO C[NH+](C)Cc1ccc(CN[C@@H]2CCC(=O)N[C@H]2c2cc(F)cc(F)c2)cc1 ZINC000012182479 494211281 /nfs/dbraw/zinc/21/12/81/494211281.db2.gz HYEZEWCLYUNMDE-CTNGQTDRSA-N 1 3 373.447 3.136 40 0 FGABHO COC[C@@H]1CN(Cc2cccnc2)CC12CC[NH+](Cc1ccccc1)CC2 ZINC000247828286 496919276 /nfs/dbraw/zinc/91/92/76/496919276.db2.gz GNTRDVKQVAFNEV-QFIPXVFZSA-N 1 3 365.521 3.442 40 0 FGABHO CN(C)CCn1nc([C@@H]2CC[N@H+](C[C@H]3CC=CCC3)C2)c2cccnc21 ZINC000019583280 211239109 /nfs/dbraw/zinc/23/91/09/211239109.db2.gz UFXHLBPWUVIAKZ-ZWKOTPCHSA-N 1 3 353.514 3.139 40 0 FGABHO CN(C)CCn1nc([C@@H]2CC[N@@H+](C[C@H]3CC=CCC3)C2)c2cccnc21 ZINC000019583280 211239113 /nfs/dbraw/zinc/23/91/13/211239113.db2.gz UFXHLBPWUVIAKZ-ZWKOTPCHSA-N 1 3 353.514 3.139 40 0 FGABHO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(Cc1ccc(C)o1)CC2 ZINC000096051795 222003896 /nfs/dbraw/zinc/00/38/96/222003896.db2.gz ATGWUONFOAHKOT-FQEVSTJZSA-N 1 3 369.509 3.486 40 0 FGABHO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(Cc1ccc(C)o1)CC2 ZINC000096051795 222003899 /nfs/dbraw/zinc/00/38/99/222003899.db2.gz ATGWUONFOAHKOT-FQEVSTJZSA-N 1 3 369.509 3.486 40 0 FGABHO CN1CCCC[C@@H]1CNC(=O)c1ncccc1-c1cccc(C[NH+](C)C)c1 ZINC000257226236 223027509 /nfs/dbraw/zinc/02/75/09/223027509.db2.gz FJSUZEUAYLZTIY-LJQANCHMSA-N 1 3 366.509 3.024 40 0 FGABHO COC[C@@H]1C[N@H+](Cc2cccnc2)CC12CCN(Cc1ccc(C)o1)CC2 ZINC000248133161 496959863 /nfs/dbraw/zinc/95/98/63/496959863.db2.gz ZMBXCULGPJBGAW-FQEVSTJZSA-N 1 3 369.509 3.344 40 0 FGABHO COC[C@@H]1C[N@@H+](Cc2cccnc2)CC12CCN(Cc1ccc(C)o1)CC2 ZINC000248133161 496959868 /nfs/dbraw/zinc/95/98/68/496959868.db2.gz ZMBXCULGPJBGAW-FQEVSTJZSA-N 1 3 369.509 3.344 40 0 FGABHO COc1cc(CN(C)C[C@@H](O)c2ccccc2)ccc1OCCC[NH+](C)C ZINC000257323609 497404133 /nfs/dbraw/zinc/40/41/33/497404133.db2.gz WLBKMNULAOWOCF-HXUWFJFHSA-N 1 3 372.509 3.191 40 0 FGABHO C[N@@H+]1CCc2nc(C3CCN(Cc4ccc5ncccc5c4)CC3)ncc2C1 ZINC000019590714 211240361 /nfs/dbraw/zinc/24/03/61/211240361.db2.gz UGMJSSNECTTXSF-UHFFFAOYSA-N 1 3 373.504 3.392 40 0 FGABHO C[N@H+]1CCc2nc(C3CCN(Cc4ccc5ncccc5c4)CC3)ncc2C1 ZINC000019590714 211240365 /nfs/dbraw/zinc/24/03/65/211240365.db2.gz UGMJSSNECTTXSF-UHFFFAOYSA-N 1 3 373.504 3.392 40 0 FGABHO CN1CCN(CCNc2c3ccc(Cl)cc3[nH+]c3c2CCCC3)CC1 ZINC000142668923 495517823 /nfs/dbraw/zinc/51/78/23/495517823.db2.gz AKZZUONQDIGIBX-UHFFFAOYSA-N 1 3 358.917 3.426 40 0 in-vitro FGABHO COC[C@@H]1C[N@H+](Cc2cccs2)CC12CCN(C1CCOCC1)CC2 ZINC000585102707 507567562 /nfs/dbraw/zinc/56/75/62/507567562.db2.gz BGCBMQWRQWCAGS-KRWDZBQOSA-N 1 3 364.555 3.088 40 0 FGABHO COC[C@@H]1C[N@@H+](Cc2cccs2)CC12CCN(C1CCOCC1)CC2 ZINC000585102707 507567570 /nfs/dbraw/zinc/56/75/70/507567570.db2.gz BGCBMQWRQWCAGS-KRWDZBQOSA-N 1 3 364.555 3.088 40 0 FGABHO C1=C[C@@H]2C[C@H]1C[C@@H]2C[NH+]1CCN(C2CCN(Cc3ccccc3)CC2)CC1 ZINC000022031820 220374749 /nfs/dbraw/zinc/37/47/49/220374749.db2.gz WRMZIXYYJUVUQD-YTFSRNRJSA-N 1 3 365.565 3.481 40 0 FGABHO C1=C[C@H]2C[C@@H]1C[C@H]2C[NH+]1CCN(C2CCN(Cc3ccccc3)CC2)CC1 ZINC000019900082 518578628 /nfs/dbraw/zinc/57/86/28/518578628.db2.gz WRMZIXYYJUVUQD-VJBWXMMDSA-N 1 3 365.565 3.481 40 0 FGABHO CC1(C)NC(=N)NC(=[NH2+])N1c1cccc(CCCCc2cccc(N)c2)c1 ZINC000001701932 534961088 /nfs/dbraw/zinc/96/10/88/534961088.db2.gz WNZMAGKIGDUEIH-UHFFFAOYSA-N 1 3 364.497 3.020 40 0 FGABHO CN(C)CCn1cc2c(n1)-c1ccccc1OC21CC[NH+](CC2CC2)CC1 ZINC000306141761 223113351 /nfs/dbraw/zinc/11/33/51/223113351.db2.gz WFQWOUFSRWOECR-UHFFFAOYSA-N 1 3 366.509 3.205 40 0 FGABHO c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@@]23CCN(C2CCC2)C3)c1 ZINC000096215165 222080643 /nfs/dbraw/zinc/08/06/43/222080643.db2.gz NKYLKIMBHCNPLK-RBBKRZOGSA-N 1 3 355.526 3.185 40 0 FGABHO c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(C2CCC2)C3)c1 ZINC000096215165 222080645 /nfs/dbraw/zinc/08/06/45/222080645.db2.gz NKYLKIMBHCNPLK-RBBKRZOGSA-N 1 3 355.526 3.185 40 0 FGABHO c1cncc(COC[C@@H]2CN(CC3CC3)C[C@@]23CC[N@@H+](C2CCC2)C3)c1 ZINC000096215165 222080649 /nfs/dbraw/zinc/08/06/49/222080649.db2.gz NKYLKIMBHCNPLK-RBBKRZOGSA-N 1 3 355.526 3.185 40 0 FGABHO c1cncc(COC[C@@H]2CN(CC3CC3)C[C@@]23CC[N@H+](C2CCC2)C3)c1 ZINC000096215165 222080653 /nfs/dbraw/zinc/08/06/53/222080653.db2.gz NKYLKIMBHCNPLK-RBBKRZOGSA-N 1 3 355.526 3.185 40 0 FGABHO c1ccc(COC[C@H]2C[N@H+](CC3CC3)C[C@@]23CCN(CC2CC2)C3)nc1 ZINC000096220286 222083126 /nfs/dbraw/zinc/08/31/26/222083126.db2.gz QTIHXFDQNHHRNT-IRLDBZIGSA-N 1 3 355.526 3.042 40 0 FGABHO c1ccc(COC[C@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(CC2CC2)C3)nc1 ZINC000096220286 222083128 /nfs/dbraw/zinc/08/31/28/222083128.db2.gz QTIHXFDQNHHRNT-IRLDBZIGSA-N 1 3 355.526 3.042 40 0 FGABHO c1ccc(COC[C@H]2CN(CC3CC3)C[C@@]23CC[N@H+](CC2CC2)C3)nc1 ZINC000096220286 222083131 /nfs/dbraw/zinc/08/31/31/222083131.db2.gz QTIHXFDQNHHRNT-IRLDBZIGSA-N 1 3 355.526 3.042 40 0 FGABHO c1ccc(COC[C@H]2CN(CC3CC3)C[C@@]23CC[N@@H+](CC2CC2)C3)nc1 ZINC000096220286 222083134 /nfs/dbraw/zinc/08/31/34/222083134.db2.gz QTIHXFDQNHHRNT-IRLDBZIGSA-N 1 3 355.526 3.042 40 0 FGABHO C[NH+]1CCC(N(CCO)CC2(c3ccc(Cl)cc3Cl)CC2)CC1 ZINC000036743643 494097845 /nfs/dbraw/zinc/09/78/45/494097845.db2.gz SDBFYLFXSWCFSB-UHFFFAOYSA-N 1 3 357.325 3.414 40 0 FGABHO Cc1ccc(CN2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)cc1 ZINC000009062606 494112442 /nfs/dbraw/zinc/11/24/42/494112442.db2.gz BQRFSIQCTPYAFP-UHFFFAOYSA-N 1 3 357.542 3.199 40 0 FGABHO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(Cc1ccco1)CC2 ZINC000096051784 222003551 /nfs/dbraw/zinc/00/35/51/222003551.db2.gz MDCUBZPLSOZCGN-IBGZPJMESA-N 1 3 355.482 3.178 40 0 FGABHO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(Cc1ccco1)CC2 ZINC000096051784 222003552 /nfs/dbraw/zinc/00/35/52/222003552.db2.gz MDCUBZPLSOZCGN-IBGZPJMESA-N 1 3 355.482 3.178 40 0 FGABHO COC[C@H]1CN(Cc2cccnc2)CC12CC[NH+](Cc1ccccc1)CC2 ZINC000247828285 496919044 /nfs/dbraw/zinc/91/90/44/496919044.db2.gz GNTRDVKQVAFNEV-JOCHJYFZSA-N 1 3 365.521 3.442 40 0 FGABHO Cc1ccccc1C[N@H+]1CC[C@H](c2nn(CCN(C)C)c3ncccc23)C1 ZINC000019237162 494439288 /nfs/dbraw/zinc/43/92/88/494439288.db2.gz ZXIBUISPYAABNN-IBGZPJMESA-N 1 3 363.509 3.291 40 0 FGABHO Cc1ccccc1C[N@@H+]1CC[C@H](c2nn(CCN(C)C)c3ncccc23)C1 ZINC000019237162 494439291 /nfs/dbraw/zinc/43/92/91/494439291.db2.gz ZXIBUISPYAABNN-IBGZPJMESA-N 1 3 363.509 3.291 40 0 FGABHO [NH3+]CCn1nc([C@@H]2CCN(Cc3cccc(Cl)c3)C2)c2cccnc21 ZINC000019293386 494440739 /nfs/dbraw/zinc/44/07/39/494440739.db2.gz MZTICSVXNQGYSW-OAHLLOKOSA-N 1 3 355.873 3.033 40 0 FGABHO C[C@@H]1CCN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CCN1Cc1ccccc1 ZINC000262190970 497522117 /nfs/dbraw/zinc/52/21/17/497522117.db2.gz CFVKHVJQNDCBNV-WQWLHFTFSA-N 1 3 369.553 3.263 40 0 FGABHO CC(C)[N@@H+]1CCOC[C@]2(CC[C@H](CNCc3ccccc3Cl)O2)C1 ZINC000306124519 498737287 /nfs/dbraw/zinc/73/72/87/498737287.db2.gz BSKJYOTXXKISIE-MJGOQNOKSA-N 1 3 352.906 3.088 40 0 FGABHO CC(C)[N@H+]1CCOC[C@]2(CC[C@H](CNCc3ccccc3Cl)O2)C1 ZINC000306124519 498737289 /nfs/dbraw/zinc/73/72/89/498737289.db2.gz BSKJYOTXXKISIE-MJGOQNOKSA-N 1 3 352.906 3.088 40 0 FGABHO O[C@H]1[C@H](Oc2cccc(Cl)c2)CCC[C@@H]1[NH2+]CCCN1CCCC1 ZINC000585289578 507586684 /nfs/dbraw/zinc/58/66/84/507586684.db2.gz KGVOFHALGJJQDC-IPMKNSEASA-N 1 3 352.906 3.076 40 0 FGABHO O[C@H]1[C@H](Oc2cccc(Cl)c2)CCC[C@@H]1NCCC[NH+]1CCCC1 ZINC000585289578 507586689 /nfs/dbraw/zinc/58/66/89/507586689.db2.gz KGVOFHALGJJQDC-IPMKNSEASA-N 1 3 352.906 3.076 40 0 FGABHO Cc1ccc(CN2CCOC[C@]3(CC[C@H](C[N@@H+](C)C(C)C)O3)C2)s1 ZINC000096052311 494999931 /nfs/dbraw/zinc/99/99/31/494999931.db2.gz PXUDWTQXAAJOPA-MJGOQNOKSA-N 1 3 352.544 3.147 40 0 FGABHO Cc1ccc(CN2CCOC[C@]3(CC[C@H](C[N@H+](C)C(C)C)O3)C2)s1 ZINC000096052311 494999934 /nfs/dbraw/zinc/99/99/34/494999934.db2.gz PXUDWTQXAAJOPA-MJGOQNOKSA-N 1 3 352.544 3.147 40 0 FGABHO c1ccc(CN2CCC(N3CC[NH+]([C@H]4C[C@H]5CC[C@@H]4C5)CC3)CC2)cc1 ZINC000019358976 494443274 /nfs/dbraw/zinc/44/32/74/494443274.db2.gz JNKXPMBILDDJDN-XJUOHMSHSA-N 1 3 353.554 3.457 40 0 FGABHO CC(C)[N@@H+]1CCOC[C@]2(CC[C@@H](CNCc3ccccc3Cl)O2)C1 ZINC000306124517 498736834 /nfs/dbraw/zinc/73/68/34/498736834.db2.gz BSKJYOTXXKISIE-HKUYNNGSSA-N 1 3 352.906 3.088 40 0 FGABHO CC(C)[N@H+]1CCOC[C@]2(CC[C@@H](CNCc3ccccc3Cl)O2)C1 ZINC000306124517 498736839 /nfs/dbraw/zinc/73/68/39/498736839.db2.gz BSKJYOTXXKISIE-HKUYNNGSSA-N 1 3 352.906 3.088 40 0 FGABHO c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@@]23CCN(CC2CC2)C3)c1 ZINC000096220308 209137405 /nfs/dbraw/zinc/13/74/05/209137405.db2.gz YVTSXQXOJHRKGD-VXKWHMMOSA-N 1 3 355.526 3.042 40 0 FGABHO c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(CC2CC2)C3)c1 ZINC000096220308 209137407 /nfs/dbraw/zinc/13/74/07/209137407.db2.gz YVTSXQXOJHRKGD-VXKWHMMOSA-N 1 3 355.526 3.042 40 0 FGABHO c1cncc(COC[C@@H]2CN(CC3CC3)C[C@@]23CC[N@H+](CC2CC2)C3)c1 ZINC000096220308 209137410 /nfs/dbraw/zinc/13/74/10/209137410.db2.gz YVTSXQXOJHRKGD-VXKWHMMOSA-N 1 3 355.526 3.042 40 0 FGABHO c1cncc(COC[C@@H]2CN(CC3CC3)C[C@@]23CC[N@@H+](CC2CC2)C3)c1 ZINC000096220308 209137412 /nfs/dbraw/zinc/13/74/12/209137412.db2.gz YVTSXQXOJHRKGD-VXKWHMMOSA-N 1 3 355.526 3.042 40 0 FGABHO COC[C@H]1CC2(C[N@@H+]1Cc1ccncc1)CCN(Cc1ccoc1)CC2 ZINC000096208109 209134159 /nfs/dbraw/zinc/13/41/59/209134159.db2.gz AXJNDWRTFDYLAG-HXUWFJFHSA-N 1 3 355.482 3.178 40 0 FGABHO COC[C@H]1CC2(C[N@H+]1Cc1ccncc1)CCN(Cc1ccoc1)CC2 ZINC000096208109 209134161 /nfs/dbraw/zinc/13/41/61/209134161.db2.gz AXJNDWRTFDYLAG-HXUWFJFHSA-N 1 3 355.482 3.178 40 0 FGABHO OCCN(Cc1c2cccnc2[nH]c1C1CC[NH2+]CC1)Cc1ccccc1 ZINC000019371513 494443733 /nfs/dbraw/zinc/44/37/33/494443733.db2.gz NCBOFECIOWPFCB-UHFFFAOYSA-N 1 3 364.493 3.024 40 0 FGABHO C[C@H]1CCN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CCN1Cc1ccccc1 ZINC000262190968 497523006 /nfs/dbraw/zinc/52/30/06/497523006.db2.gz CFVKHVJQNDCBNV-OGQGWYMCSA-N 1 3 369.553 3.263 40 0 FGABHO c1cc(CSC2=NCCN2)c2cccc(CSC3=[NH+]CCN3)c2c1 ZINC000001667557 493798151 /nfs/dbraw/zinc/79/81/51/493798151.db2.gz IPPPIRUBOKRJRW-UHFFFAOYSA-N 1 3 356.520 3.225 40 0 FGABHO C[N@@H+]1CCc2nc(C3CCN(Cc4ccnc5ccccc45)CC3)ncc2C1 ZINC000019590723 494451620 /nfs/dbraw/zinc/45/16/20/494451620.db2.gz BEJBVRPPGCWZIF-UHFFFAOYSA-N 1 3 373.504 3.392 40 0 FGABHO C[N@H+]1CCc2nc(C3CCN(Cc4ccnc5ccccc45)CC3)ncc2C1 ZINC000019590723 494451621 /nfs/dbraw/zinc/45/16/21/494451621.db2.gz BEJBVRPPGCWZIF-UHFFFAOYSA-N 1 3 373.504 3.392 40 0 FGABHO Cc1ccc(CN2CCOC[C@]3(C[C@@H](C[N@@H+](C)C(C)C)CO3)C2)s1 ZINC000248152467 496964504 /nfs/dbraw/zinc/96/45/04/496964504.db2.gz XZWIGDAYPLGCFS-HKUYNNGSSA-N 1 3 352.544 3.004 40 0 FGABHO Cc1ccc(CN2CCOC[C@]3(C[C@@H](C[N@H+](C)C(C)C)CO3)C2)s1 ZINC000248152467 496964507 /nfs/dbraw/zinc/96/45/07/496964507.db2.gz XZWIGDAYPLGCFS-HKUYNNGSSA-N 1 3 352.544 3.004 40 0 FGABHO COC[C@@H]1C[N@H+](CC2CCOCC2)CC12CCN(Cc1ccccc1)CC2 ZINC000585104101 507571323 /nfs/dbraw/zinc/57/13/23/507571323.db2.gz VXWFKEMOZRJRJP-QFIPXVFZSA-N 1 3 372.553 3.274 40 0 FGABHO COC[C@@H]1C[N@@H+](CC2CCOCC2)CC12CCN(Cc1ccccc1)CC2 ZINC000585104101 507571333 /nfs/dbraw/zinc/57/13/33/507571333.db2.gz VXWFKEMOZRJRJP-QFIPXVFZSA-N 1 3 372.553 3.274 40 0 FGABHO COc1cc(C)ccc1CN1CCC[C@@H](c2ncc3c(n2)CC[N@@H+](C)C3)C1 ZINC000019134001 494437162 /nfs/dbraw/zinc/43/71/62/494437162.db2.gz OXDLOJJONJYZQI-GOSISDBHSA-N 1 3 366.509 3.161 40 0 FGABHO COc1cc(C)ccc1CN1CCC[C@@H](c2ncc3c(n2)CC[N@H+](C)C3)C1 ZINC000019134001 494437165 /nfs/dbraw/zinc/43/71/65/494437165.db2.gz OXDLOJJONJYZQI-GOSISDBHSA-N 1 3 366.509 3.161 40 0 FGABHO CN(C)CCn1nc([C@H]2CC[N@H+](C[C@H]3CC=CCC3)C2)c2cccnc21 ZINC000019583283 494451330 /nfs/dbraw/zinc/45/13/30/494451330.db2.gz UFXHLBPWUVIAKZ-ROUUACIJSA-N 1 3 353.514 3.139 40 0 FGABHO CN(C)CCn1nc([C@H]2CC[N@@H+](C[C@H]3CC=CCC3)C2)c2cccnc21 ZINC000019583283 494451333 /nfs/dbraw/zinc/45/13/33/494451333.db2.gz UFXHLBPWUVIAKZ-ROUUACIJSA-N 1 3 353.514 3.139 40 0 FGABHO Cc1ccccc1C[N@H+]1CC[C@@H](c2nn(CCN(C)C)c3ncccc23)C1 ZINC000019237161 494439249 /nfs/dbraw/zinc/43/92/49/494439249.db2.gz ZXIBUISPYAABNN-LJQANCHMSA-N 1 3 363.509 3.291 40 0 FGABHO Cc1ccccc1C[N@@H+]1CC[C@@H](c2nn(CCN(C)C)c3ncccc23)C1 ZINC000019237161 494439252 /nfs/dbraw/zinc/43/92/52/494439252.db2.gz ZXIBUISPYAABNN-LJQANCHMSA-N 1 3 363.509 3.291 40 0 FGABHO c1ccc(CN2CCC(N3CC[NH+]([C@@H]4C[C@H]5CC[C@@H]4C5)CC3)CC2)cc1 ZINC000019361697 494443547 /nfs/dbraw/zinc/44/35/47/494443547.db2.gz JNKXPMBILDDJDN-QZNHQXDQSA-N 1 3 353.554 3.457 40 0 FGABHO COCCN1C[C@@H]2C[N@H+](Cc3cccc(C)n3)CC[C@@]2(c2ccccc2)C1 ZINC000096251766 209144017 /nfs/dbraw/zinc/14/40/17/209144017.db2.gz KTQCJPQBBIUQQF-GMAHTHKFSA-N 1 3 365.521 3.112 40 0 FGABHO COCCN1C[C@@H]2C[N@@H+](Cc3cccc(C)n3)CC[C@@]2(c2ccccc2)C1 ZINC000096251766 209144020 /nfs/dbraw/zinc/14/40/20/209144020.db2.gz KTQCJPQBBIUQQF-GMAHTHKFSA-N 1 3 365.521 3.112 40 0 FGABHO COc1ccc(C[N@H+](C)C[C@H]2CCN(C)C2)cc1Cc1c(C)noc1C ZINC000019581002 211238772 /nfs/dbraw/zinc/23/87/72/211238772.db2.gz YODSUYIGVDKBRX-SFHVURJKSA-N 1 3 357.498 3.274 40 0 FGABHO COc1ccc(C[N@@H+](C)C[C@H]2CCN(C)C2)cc1Cc1c(C)noc1C ZINC000019581002 211238776 /nfs/dbraw/zinc/23/87/76/211238776.db2.gz YODSUYIGVDKBRX-SFHVURJKSA-N 1 3 357.498 3.274 40 0 FGABHO CN(C)CCn1nc([C@@H]2CC[N@H+](C[C@@H]3CC=CCC3)C2)c2cccnc21 ZINC000257310620 497401711 /nfs/dbraw/zinc/40/17/11/497401711.db2.gz UFXHLBPWUVIAKZ-QZTJIDSGSA-N 1 3 353.514 3.139 40 0 FGABHO CN(C)CCn1nc([C@@H]2CC[N@@H+](C[C@@H]3CC=CCC3)C2)c2cccnc21 ZINC000257310620 497401714 /nfs/dbraw/zinc/40/17/14/497401714.db2.gz UFXHLBPWUVIAKZ-QZTJIDSGSA-N 1 3 353.514 3.139 40 0 FGABHO c1ccc(COC[C@H]2C[N@H+](CC3CC3)C[C@@]23CCN(C2CCC2)C3)nc1 ZINC000096218080 222081903 /nfs/dbraw/zinc/08/19/03/222081903.db2.gz BHMUKTIVUMIQCL-DENIHFKCSA-N 1 3 355.526 3.185 40 0 FGABHO c1ccc(COC[C@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(C2CCC2)C3)nc1 ZINC000096218080 222081906 /nfs/dbraw/zinc/08/19/06/222081906.db2.gz BHMUKTIVUMIQCL-DENIHFKCSA-N 1 3 355.526 3.185 40 0 FGABHO c1ccc(COC[C@H]2CN(CC3CC3)C[C@@]23CC[N@@H+](C2CCC2)C3)nc1 ZINC000096218080 222081909 /nfs/dbraw/zinc/08/19/09/222081909.db2.gz BHMUKTIVUMIQCL-DENIHFKCSA-N 1 3 355.526 3.185 40 0 FGABHO c1ccc(COC[C@H]2CN(CC3CC3)C[C@@]23CC[N@H+](C2CCC2)C3)nc1 ZINC000096218080 222081913 /nfs/dbraw/zinc/08/19/13/222081913.db2.gz BHMUKTIVUMIQCL-DENIHFKCSA-N 1 3 355.526 3.185 40 0 FGABHO COc1cc(C)ccc1CN1CCC[C@H](c2ncc3c(n2)CC[N@@H+](C)C3)C1 ZINC000019134005 211204457 /nfs/dbraw/zinc/20/44/57/211204457.db2.gz OXDLOJJONJYZQI-SFHVURJKSA-N 1 3 366.509 3.161 40 0 FGABHO COc1cc(C)ccc1CN1CCC[C@H](c2ncc3c(n2)CC[N@H+](C)C3)C1 ZINC000019134005 211204460 /nfs/dbraw/zinc/20/44/60/211204460.db2.gz OXDLOJJONJYZQI-SFHVURJKSA-N 1 3 366.509 3.161 40 0 FGABHO CN1C[C@H](COCc2ccccn2)[C@]2(CC[N@H+](Cc3cccs3)C2)C1 ZINC000096220199 222084080 /nfs/dbraw/zinc/08/40/80/222084080.db2.gz USACSPZLWATONC-YLJYHZDGSA-N 1 3 357.523 3.114 40 0 FGABHO CN1C[C@H](COCc2ccccn2)[C@]2(CC[N@@H+](Cc3cccs3)C2)C1 ZINC000096220199 222084083 /nfs/dbraw/zinc/08/40/83/222084083.db2.gz USACSPZLWATONC-YLJYHZDGSA-N 1 3 357.523 3.114 40 0 FGABHO COC[C@H]1CN(Cc2ccccn2)CC12CC[NH+](Cc1ccccc1)CC2 ZINC000585103801 507571530 /nfs/dbraw/zinc/57/15/30/507571530.db2.gz QTEIIGFWKSHLQB-OAQYLSRUSA-N 1 3 365.521 3.442 40 0 FGABHO COC[C@H]1CC2(C[N@@H+]1Cc1cccnc1)CCN(Cc1ccoc1)CC2 ZINC000096208117 222078790 /nfs/dbraw/zinc/07/87/90/222078790.db2.gz AKALAZBMSICJPZ-HXUWFJFHSA-N 1 3 355.482 3.178 40 0 FGABHO COC[C@H]1CC2(C[N@H+]1Cc1cccnc1)CCN(Cc1ccoc1)CC2 ZINC000096208117 222078792 /nfs/dbraw/zinc/07/87/92/222078792.db2.gz AKALAZBMSICJPZ-HXUWFJFHSA-N 1 3 355.482 3.178 40 0 FGABHO CC1(C)NC(=N)NC(=[NH2+])N1c1cccc(CCCCOc2ccccc2)c1 ZINC000001716434 534961710 /nfs/dbraw/zinc/96/17/10/534961710.db2.gz IHIHTZZDMBOPNY-UHFFFAOYSA-N 1 3 365.481 3.274 40 0 FGABHO COc1cccc(CN2CCC[C@@]3(CC[N@H+](CCN4CCCC4)C3)C2)c1 ZINC000096215676 222080115 /nfs/dbraw/zinc/08/01/15/222080115.db2.gz BKVRVNRFLQHYMD-QFIPXVFZSA-N 1 3 357.542 3.079 40 0 FGABHO COc1cccc(CN2CCC[C@@]3(CC[N@@H+](CCN4CCCC4)C3)C2)c1 ZINC000096215676 222080119 /nfs/dbraw/zinc/08/01/19/222080119.db2.gz BKVRVNRFLQHYMD-QFIPXVFZSA-N 1 3 357.542 3.079 40 0 FGABHO Cc1ccc(CN2CCOC[C@@]3(C[C@@H](C[N@@H+](C)C(C)C)CO3)C2)s1 ZINC000107738665 494594927 /nfs/dbraw/zinc/59/49/27/494594927.db2.gz XZWIGDAYPLGCFS-PKOBYXMFSA-N 1 3 352.544 3.004 40 0 FGABHO Cc1ccc(CN2CCOC[C@@]3(C[C@@H](C[N@H+](C)C(C)C)CO3)C2)s1 ZINC000107738665 494594930 /nfs/dbraw/zinc/59/49/30/494594930.db2.gz XZWIGDAYPLGCFS-PKOBYXMFSA-N 1 3 352.544 3.004 40 0 FGABHO Cc1cccc(C[N@H+]2CC[C@H](c3nn(CCN(C)C)c4ncccc34)C2)c1 ZINC000019234943 220241216 /nfs/dbraw/zinc/24/12/16/220241216.db2.gz GBFMMZJHZIAGOT-IBGZPJMESA-N 1 3 363.509 3.291 40 0 FGABHO Cc1cccc(C[N@@H+]2CC[C@H](c3nn(CCN(C)C)c4ncccc34)C2)c1 ZINC000019234943 220241219 /nfs/dbraw/zinc/24/12/19/220241219.db2.gz GBFMMZJHZIAGOT-IBGZPJMESA-N 1 3 363.509 3.291 40 0 FGABHO COc1ccc(C[N@H+](C)C[C@@H]2CCN(C)C2)cc1Cc1c(C)noc1C ZINC000019580999 220276388 /nfs/dbraw/zinc/27/63/88/220276388.db2.gz YODSUYIGVDKBRX-GOSISDBHSA-N 1 3 357.498 3.274 40 0 FGABHO COc1ccc(C[N@@H+](C)C[C@@H]2CCN(C)C2)cc1Cc1c(C)noc1C ZINC000019580999 220276392 /nfs/dbraw/zinc/27/63/92/220276392.db2.gz YODSUYIGVDKBRX-GOSISDBHSA-N 1 3 357.498 3.274 40 0 FGABHO O=C(CN1CCC(Cc2ccccc2)CC1)N1CCC([NH+]2CCCC2)CC1 ZINC000019660678 220284007 /nfs/dbraw/zinc/28/40/07/220284007.db2.gz VWOQHHBPMHTNEV-UHFFFAOYSA-N 1 3 369.553 3.028 40 0 FGABHO COc1cccc(C[NH+]2CCC3(CCN(Cc4cnn(C)c4)CC3)CC2)c1 ZINC000096047242 494998652 /nfs/dbraw/zinc/99/86/52/494998652.db2.gz OYUBRFOEJWKXRX-UHFFFAOYSA-N 1 3 368.525 3.307 40 0 FGABHO CC(C)[N@@H+]1CCOC[C@@]2(CC[C@H](CNCc3ccccc3Cl)O2)C1 ZINC000306124518 529045865 /nfs/dbraw/zinc/04/58/65/529045865.db2.gz BSKJYOTXXKISIE-IEBWSBKVSA-N 1 3 352.906 3.088 40 0 FGABHO CC(C)[N@H+]1CCOC[C@@]2(CC[C@H](CNCc3ccccc3Cl)O2)C1 ZINC000306124518 529045868 /nfs/dbraw/zinc/04/58/68/529045868.db2.gz BSKJYOTXXKISIE-IEBWSBKVSA-N 1 3 352.906 3.088 40 0 FGABHO COc1cc(C)ccc1CN1CCC(c2ncc3c(n2)CC[N@@H+](C)C3)CC1 ZINC000019133922 220237696 /nfs/dbraw/zinc/23/76/96/220237696.db2.gz AHRVFOWAIUFCEV-UHFFFAOYSA-N 1 3 366.509 3.161 40 0 FGABHO COc1cc(C)ccc1CN1CCC(c2ncc3c(n2)CC[N@H+](C)C3)CC1 ZINC000019133922 220237699 /nfs/dbraw/zinc/23/76/99/220237699.db2.gz AHRVFOWAIUFCEV-UHFFFAOYSA-N 1 3 366.509 3.161 40 0 FGABHO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(Cc1ccoc1)CC2 ZINC000096240366 222095954 /nfs/dbraw/zinc/09/59/54/222095954.db2.gz VGHFRVMDUFRUCU-HXUWFJFHSA-N 1 3 355.482 3.178 40 0 FGABHO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(Cc1ccoc1)CC2 ZINC000096240366 222095955 /nfs/dbraw/zinc/09/59/55/222095955.db2.gz VGHFRVMDUFRUCU-HXUWFJFHSA-N 1 3 355.482 3.178 40 0 FGABHO OCCN(Cc1c2cccnc2[nH]c1[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000019371511 220252649 /nfs/dbraw/zinc/25/26/49/220252649.db2.gz AYIJLZVSEQULGJ-SFHVURJKSA-N 1 3 364.493 3.024 40 0 FGABHO CN1C[C@@H](COCc2cccnc2)[C@]2(CC[N@H+](Cc3cccs3)C2)C1 ZINC000096216622 222081377 /nfs/dbraw/zinc/08/13/77/222081377.db2.gz XFBUEYJTABYDNP-AZUAARDMSA-N 1 3 357.523 3.114 40 0 FGABHO CN1C[C@@H](COCc2cccnc2)[C@]2(CC[N@@H+](Cc3cccs3)C2)C1 ZINC000096216622 222081380 /nfs/dbraw/zinc/08/13/80/222081380.db2.gz XFBUEYJTABYDNP-AZUAARDMSA-N 1 3 357.523 3.114 40 0 FGABHO c1ccc(COC[C@@H]2C[N@H+](CC3CC3)C[C@@]23CCN(CC2CC2)C3)nc1 ZINC000096219364 222083832 /nfs/dbraw/zinc/08/38/32/222083832.db2.gz QTIHXFDQNHHRNT-UNMCSNQZSA-N 1 3 355.526 3.042 40 0 FGABHO c1ccc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(CC2CC2)C3)nc1 ZINC000096219364 222083835 /nfs/dbraw/zinc/08/38/35/222083835.db2.gz QTIHXFDQNHHRNT-UNMCSNQZSA-N 1 3 355.526 3.042 40 0 FGABHO c1ccc(COC[C@@H]2CN(CC3CC3)C[C@@]23CC[N@H+](CC2CC2)C3)nc1 ZINC000096219364 222083839 /nfs/dbraw/zinc/08/38/39/222083839.db2.gz QTIHXFDQNHHRNT-UNMCSNQZSA-N 1 3 355.526 3.042 40 0 FGABHO c1ccc(COC[C@@H]2CN(CC3CC3)C[C@@]23CC[N@@H+](CC2CC2)C3)nc1 ZINC000096219364 222083843 /nfs/dbraw/zinc/08/38/43/222083843.db2.gz QTIHXFDQNHHRNT-UNMCSNQZSA-N 1 3 355.526 3.042 40 0 FGABHO COC[C@@H]1CC2(C[N@@H+]1Cc1cccnc1)CCN(Cc1ccco1)CC2 ZINC000096208103 222078051 /nfs/dbraw/zinc/07/80/51/222078051.db2.gz DWIAHKPKJPYAOT-IBGZPJMESA-N 1 3 355.482 3.178 40 0 FGABHO COC[C@@H]1CC2(C[N@H+]1Cc1cccnc1)CCN(Cc1ccco1)CC2 ZINC000096208103 222078053 /nfs/dbraw/zinc/07/80/53/222078053.db2.gz DWIAHKPKJPYAOT-IBGZPJMESA-N 1 3 355.482 3.178 40 0 FGABHO CN1C[C@@H](COCc2ccccn2)[C@]2(CC[N@H+](Cc3cccs3)C2)C1 ZINC000096220453 222083156 /nfs/dbraw/zinc/08/31/56/222083156.db2.gz USACSPZLWATONC-FXAWDEMLSA-N 1 3 357.523 3.114 40 0 FGABHO CN1C[C@@H](COCc2ccccn2)[C@]2(CC[N@@H+](Cc3cccs3)C2)C1 ZINC000096220453 222083157 /nfs/dbraw/zinc/08/31/57/222083157.db2.gz USACSPZLWATONC-FXAWDEMLSA-N 1 3 357.523 3.114 40 0 FGABHO c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@@]23CCN(CC2CC2)C3)c1 ZINC000096218875 222083732 /nfs/dbraw/zinc/08/37/32/222083732.db2.gz YVTSXQXOJHRKGD-YADHBBJMSA-N 1 3 355.526 3.042 40 0 FGABHO c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(CC2CC2)C3)c1 ZINC000096218875 222083736 /nfs/dbraw/zinc/08/37/36/222083736.db2.gz YVTSXQXOJHRKGD-YADHBBJMSA-N 1 3 355.526 3.042 40 0 FGABHO c1cncc(COC[C@H]2CN(CC3CC3)C[C@@]23CC[N@H+](CC2CC2)C3)c1 ZINC000096218875 222083739 /nfs/dbraw/zinc/08/37/39/222083739.db2.gz YVTSXQXOJHRKGD-YADHBBJMSA-N 1 3 355.526 3.042 40 0 FGABHO c1cncc(COC[C@H]2CN(CC3CC3)C[C@@]23CC[N@@H+](CC2CC2)C3)c1 ZINC000096218875 222083743 /nfs/dbraw/zinc/08/37/43/222083743.db2.gz YVTSXQXOJHRKGD-YADHBBJMSA-N 1 3 355.526 3.042 40 0 FGABHO COc1cccc(CN2CCC3(CC[N@H+](CC4CCOCC4)C3)CC2)c1 ZINC000096046653 494998789 /nfs/dbraw/zinc/99/87/89/494998789.db2.gz SOICIGSJJNUEBW-UHFFFAOYSA-N 1 3 358.526 3.410 40 0 FGABHO COc1cccc(CN2CCC3(CC[N@@H+](CC4CCOCC4)C3)CC2)c1 ZINC000096046653 494998792 /nfs/dbraw/zinc/99/87/92/494998792.db2.gz SOICIGSJJNUEBW-UHFFFAOYSA-N 1 3 358.526 3.410 40 0 FGABHO COC[C@H]1C[N@H+](Cc2cccnc2)CC12CCN(Cc1ccc(C)o1)CC2 ZINC000248133167 496960158 /nfs/dbraw/zinc/96/01/58/496960158.db2.gz ZMBXCULGPJBGAW-HXUWFJFHSA-N 1 3 369.509 3.344 40 0 FGABHO COC[C@H]1C[N@@H+](Cc2cccnc2)CC12CCN(Cc1ccc(C)o1)CC2 ZINC000248133167 496960160 /nfs/dbraw/zinc/96/01/60/496960160.db2.gz ZMBXCULGPJBGAW-HXUWFJFHSA-N 1 3 369.509 3.344 40 0 FGABHO COCCN1C[C@H]2C[N@H+](Cc3cccc(C)n3)CC[C@@]2(c2ccccc2)C1 ZINC000247870872 496923789 /nfs/dbraw/zinc/92/37/89/496923789.db2.gz KTQCJPQBBIUQQF-GGAORHGYSA-N 1 3 365.521 3.112 40 0 FGABHO COCCN1C[C@H]2C[N@@H+](Cc3cccc(C)n3)CC[C@@]2(c2ccccc2)C1 ZINC000247870872 496923790 /nfs/dbraw/zinc/92/37/90/496923790.db2.gz KTQCJPQBBIUQQF-GGAORHGYSA-N 1 3 365.521 3.112 40 0 FGABHO Cc1ccc(CN2CCOC[C@@]3(CC[C@@H](C[N@@H+](C)C(C)C)O3)C2)s1 ZINC000248060276 496948548 /nfs/dbraw/zinc/94/85/48/496948548.db2.gz PXUDWTQXAAJOPA-PKOBYXMFSA-N 1 3 352.544 3.147 40 0 FGABHO Cc1ccc(CN2CCOC[C@@]3(CC[C@@H](C[N@H+](C)C(C)C)O3)C2)s1 ZINC000248060276 496948553 /nfs/dbraw/zinc/94/85/53/496948553.db2.gz PXUDWTQXAAJOPA-PKOBYXMFSA-N 1 3 352.544 3.147 40 0 FGABHO