smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cnn(CC[NH2+]Cc2cc(Br)ccc2OC(F)F)c1 ZINC000109075548 700530178 /nfs/dbraw/zinc/53/01/78/700530178.db2.gz FTJBKVKPRSOARC-UHFFFAOYSA-N 1 0 360.202 3.345 10 0 FGAERO Cc1noc(C)c1C[C@H](C)[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000119764531 700638328 /nfs/dbraw/zinc/63/83/28/700638328.db2.gz HFBHFZGCOFGPQB-BBRMVZONSA-N 1 0 351.491 3.459 10 0 FGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccccc1SC(F)F ZINC000121852526 700681169 /nfs/dbraw/zinc/68/11/69/700681169.db2.gz PNGMUABXTPLCJK-GFCCVEGCSA-N 1 0 373.469 3.032 10 0 FGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NOCc1ccc(C(F)(F)F)cc1 ZINC000126261372 700746056 /nfs/dbraw/zinc/74/60/56/700746056.db2.gz HUIJFJKFYSWBSM-OAHLLOKOSA-N 1 0 359.392 3.263 10 0 FGAERO CCS(=O)(=O)NCCC[NH2+][C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000127680693 700765011 /nfs/dbraw/zinc/76/50/11/700765011.db2.gz QIBJVAFIPWIXHD-SECBINFHSA-N 1 0 357.278 3.113 10 0 FGAERO C[NH+](C)[C@H]1CCN(C(=O)C(C)(C)Sc2ccc(Br)cc2)C1 ZINC000134795927 704832166 /nfs/dbraw/zinc/83/21/66/704832166.db2.gz AIMSHZPDJLTXCW-ZDUSSCGKSA-N 1 0 371.344 3.482 10 0 FGAERO Cc1ccc(-c2nn(CN3C[C@H]4CCC[N@H+]4C[C@@H]3C)c(=S)n2C)cc1 ZINC000153241073 704990507 /nfs/dbraw/zinc/99/05/07/704990507.db2.gz STYRODPFNCFROB-DOTOQJQBSA-N 1 0 357.527 3.053 10 0 FGAERO CCC[C@H]1CCc2c(sc(=O)n2CN(C)C[C@@H]2CCC[N@@H+]2CC)C1 ZINC000177164546 705609030 /nfs/dbraw/zinc/60/90/30/705609030.db2.gz BQASJLRWLJTDHW-HOTGVXAUSA-N 1 0 351.560 3.188 10 0 FGAERO CCCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000179932110 705721069 /nfs/dbraw/zinc/72/10/69/705721069.db2.gz SOUFBQZYPGVUOD-OAHLLOKOSA-N 1 0 369.303 3.344 10 0 FGAERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cc(Br)c[nH]1 ZINC000182066484 705823774 /nfs/dbraw/zinc/82/37/74/705823774.db2.gz RYWZREIFGPRXLM-LBPRGKRZSA-N 1 0 350.260 3.028 10 0 FGAERO Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000182570769 705851170 /nfs/dbraw/zinc/85/11/70/705851170.db2.gz VPWOYSRKWNBCAO-VIFPVBQESA-N 1 0 351.248 3.078 10 0 FGAERO C[C@H]([NH2+]C[C@@](C)(O)c1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)s1 ZINC000182967861 705871267 /nfs/dbraw/zinc/87/12/67/705871267.db2.gz QVKXZQZQWZRXFU-MEDUHNTESA-N 1 0 373.927 3.363 10 0 FGAERO C[C@@H]([NH2+]CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1)[C@@H]1CCCO1 ZINC000183127643 705878445 /nfs/dbraw/zinc/87/84/45/705878445.db2.gz RSZJIMOJCUENKU-DYVFJYSZSA-N 1 0 362.857 3.373 10 0 FGAERO N#Cc1cc(Cl)ccc1CN1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000186969430 712729555 /nfs/dbraw/zinc/72/95/55/712729555.db2.gz UQHSXRMKFAPZFF-FQEVSTJZSA-N 1 0 355.869 3.063 10 0 FGAERO CC[C@@H]([NH2+]CCC(=O)NC(C)C)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000188650625 712774262 /nfs/dbraw/zinc/77/42/62/712774262.db2.gz HEDFIFCKUFQNOE-CVEARBPZSA-N 1 0 355.523 3.059 10 0 FGAERO CC[C@@H]([NH2+]CCc1nc(C)no1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000188685970 712775323 /nfs/dbraw/zinc/77/53/23/712775323.db2.gz LQGIKPOFFITJNI-CABCVRRESA-N 1 0 352.479 3.078 10 0 FGAERO C[NH+](C)C[C@@H](NC(=O)Nc1cc2c(cc1Cl)OCO2)c1ccccc1 ZINC000192873129 712876280 /nfs/dbraw/zinc/87/62/80/712876280.db2.gz VXMYTMSHBOFJLD-OAHLLOKOSA-N 1 0 361.829 3.493 10 0 FGAERO Cc1cc(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)c2ccc(Br)cc2n1 ZINC000193526243 712894522 /nfs/dbraw/zinc/89/45/22/712894522.db2.gz WZNWCCQXBWDIJC-XHDPSFHLSA-N 1 0 362.271 3.176 10 0 FGAERO CC(C)Oc1cc(Br)cc(C(=O)N[C@H]2CCC[NH2+][C@H]2C)c1 ZINC000193528991 712894940 /nfs/dbraw/zinc/89/49/40/712894940.db2.gz ODRJGHGZRXCHAV-NHYWBVRUSA-N 1 0 355.276 3.107 10 0 FGAERO O=C(N[C@@H]1C[NH+]2CCC1CC2)c1ccc(COc2ccccc2Cl)o1 ZINC000222532517 713570058 /nfs/dbraw/zinc/57/00/58/713570058.db2.gz ZEYPPIRZLXCAPF-MRXNPFEDSA-N 1 0 360.841 3.336 10 0 FGAERO CC(C)Oc1cc(Br)cc(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000236696509 713582874 /nfs/dbraw/zinc/58/28/74/713582874.db2.gz ZDLOWVRCJQWHMG-ABAIWWIYSA-N 1 0 355.276 3.094 10 0 FGAERO CCC[C@H]([NH3+])C(=O)N1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000236801329 713584030 /nfs/dbraw/zinc/58/40/30/713584030.db2.gz UEXNLVIMUAUHHO-ZFWWWQNUSA-N 1 0 372.296 3.440 10 0 FGAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000236982990 713586324 /nfs/dbraw/zinc/58/63/24/713586324.db2.gz IFMTWAYIMVIDDF-PRHODGIISA-N 1 0 367.209 3.458 10 0 FGAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000237052992 713587371 /nfs/dbraw/zinc/58/73/71/713587371.db2.gz GUYAQHMRTYULQU-TZTCFGBESA-N 1 0 363.260 3.406 10 0 FGAERO O=C(NCCCN1c2ccccc2Sc2ccccc21)[C@@H]1CC[NH2+]C1 ZINC000238075139 713600732 /nfs/dbraw/zinc/60/07/32/713600732.db2.gz AXSBLIVHICQETI-OAHLLOKOSA-N 1 0 353.491 3.405 10 0 FGAERO CC(C)N1C[C@@H](C)[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC000246184388 713619091 /nfs/dbraw/zinc/61/90/91/713619091.db2.gz HIBIWOURWQBWMB-AJYUKVHDSA-N 1 0 351.535 3.235 10 0 FGAERO Cc1nnc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)s1 ZINC000248662965 713655665 /nfs/dbraw/zinc/65/56/65/713655665.db2.gz YXTXGHNEQPVVRC-CHWSQXEVSA-N 1 0 370.400 3.096 10 0 FGAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)NC1(c2ccc(Br)cc2)CCC1 ZINC000261785231 713714286 /nfs/dbraw/zinc/71/42/86/713714286.db2.gz PQSHHRBXDLZXQR-IUODEOHRSA-N 1 0 351.288 3.320 10 0 FGAERO CCOc1cc(CN(C)C(=O)[C@@H]2CCC[C@@H]2C[NH3+])ccc1OC(F)F ZINC000261855124 713715189 /nfs/dbraw/zinc/71/51/89/713715189.db2.gz WFWICFHGWHHRSC-ZIAGYGMSSA-N 1 0 356.413 3.020 10 0 FGAERO C[C@H]([NH3+])CC(=O)Nc1ncc(Cc2cccc(Br)c2)s1 ZINC000261897509 713715699 /nfs/dbraw/zinc/71/56/99/713715699.db2.gz USFHTJVAYDIRMC-VIFPVBQESA-N 1 0 354.273 3.172 10 0 FGAERO C[C@@H]([NH2+]CCCCn1ccnc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000310475590 713798849 /nfs/dbraw/zinc/79/88/49/713798849.db2.gz NOTYEGBINOOPHB-IAGOWNOFSA-N 1 0 350.507 3.289 10 0 FGAERO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000310512075 713799274 /nfs/dbraw/zinc/79/92/74/713799274.db2.gz OHZRRIYLDQLWBU-HSFUPAIVSA-N 1 0 352.519 3.448 10 0 FGAERO COc1ncc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)s1 ZINC000310561420 713799791 /nfs/dbraw/zinc/79/97/91/713799791.db2.gz VVWNNXWGQVFYOQ-YHWZYXNKSA-N 1 0 353.488 3.172 10 0 FGAERO [NH3+]C[C@H]1CN(c2ncc(Br)cc2Cl)CC[C@H]1C(F)(F)F ZINC000630526335 716470239 /nfs/dbraw/zinc/47/02/39/716470239.db2.gz KKEHMAUUQITWOR-IONNQARKSA-N 1 0 372.616 3.461 10 0 FGAERO [NH3+]C[C@@H]1CN(c2ncc(Br)cc2Cl)CC[C@H]1C(F)(F)F ZINC000630526337 716470298 /nfs/dbraw/zinc/47/02/98/716470298.db2.gz KKEHMAUUQITWOR-VXNVDRBHSA-N 1 0 372.616 3.461 10 0 FGAERO CO[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3Cl)o2)C[C@H]1c1c[nH]nn1 ZINC000668576712 721313957 /nfs/dbraw/zinc/31/39/57/721313957.db2.gz VGKDZCHJHWLSED-KBXCAEBGSA-N 1 0 358.829 3.333 10 0 FGAERO C[C@H]([NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)c1ccc(Cl)cc1 ZINC000702812181 722410833 /nfs/dbraw/zinc/41/08/33/722410833.db2.gz DIUYIDBYLJJYDI-BJJXKVORSA-N 1 0 354.878 3.218 10 0 FGAERO CC[C@H]([NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)c1ccc(F)cc1 ZINC000702851657 722411076 /nfs/dbraw/zinc/41/10/76/722411076.db2.gz PBFIOZUVOQRUMS-BHYGNILZSA-N 1 0 352.450 3.094 10 0 FGAERO CC[C@H]([NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)c1cccc(F)c1 ZINC000705673518 722411755 /nfs/dbraw/zinc/41/17/55/722411755.db2.gz QMRGUUCSDABSBI-XIRDDKMYSA-N 1 0 352.450 3.094 10 0 FGAERO CC(C)(C)OC(=O)NC1CC(C[NH2+][C@@H](Cn2ccnc2)C(C)(C)C)C1 ZINC000711386855 722413943 /nfs/dbraw/zinc/41/39/43/722413943.db2.gz WSEBEPLKUANRQR-GPANFISMSA-N 1 0 350.507 3.191 10 0 FGAERO CC(C)c1cnc(CN2CC[C@@H](Oc3ccnc(C[NH+](C)C)c3)C2)s1 ZINC000886052881 739212557 /nfs/dbraw/zinc/21/25/57/739212557.db2.gz HCIBQVZGMOOBBL-QGZVFWFLSA-N 1 0 360.527 3.376 10 0 FGAERO CCOC(=O)C1(c2ccccc2)CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000004214073 204127700 /nfs/dbraw/zinc/12/77/00/204127700.db2.gz DBDXZFAMJLGFGD-FQEVSTJZSA-N 1 0 353.462 3.317 10 0 in-man FGAERO CCCCCOCc1cc(C(C)=O)ccc1OC[C@H](O)C[NH2+]C(C)C ZINC000005820708 204227012 /nfs/dbraw/zinc/22/70/12/204227012.db2.gz FUNDUUOBYCYREG-LJQANCHMSA-N 1 0 351.487 3.334 10 0 FGAERO COc1ccc(C[N@H+](CC(C)C)C[C@H](O)COCC(C)C)cc1OC ZINC000036095633 205003807 /nfs/dbraw/zinc/00/38/07/205003807.db2.gz UAJBMUDNDBDKRW-SFHVURJKSA-N 1 0 353.503 3.195 10 0 FGAERO CCC[N@@H+](Cc1cccc(OC)c1OC)C[C@@H](O)COc1ccccc1 ZINC000036097213 205004026 /nfs/dbraw/zinc/00/40/26/205004026.db2.gz GEJCDMOIOLUQLH-GOSISDBHSA-N 1 0 359.466 3.356 10 0 FGAERO COCCC[NH2+]Cc1nc(=O)c2c(-c3ccc(C)c(C)c3)csc2[nH]1 ZINC000036154228 205007987 /nfs/dbraw/zinc/00/79/87/205007987.db2.gz SPYQXIFNZVLOID-UHFFFAOYSA-N 1 0 357.479 3.395 10 0 FGAERO CCCC[C@H]([NH3+])C(=O)Nc1ccc(I)cc1Cl ZINC000037620584 205028821 /nfs/dbraw/zinc/02/88/21/205028821.db2.gz IFANSGDGGQTOLI-JTQLQIEISA-N 1 0 366.630 3.401 10 0 FGAERO CC[C@H](CO)[N@H+](Cc1c[nH]nc1-c1ccc(F)cc1)Cc1ccncc1 ZINC000055368697 205215707 /nfs/dbraw/zinc/21/57/07/205215707.db2.gz LUAQEYYICRYQAD-LJQANCHMSA-N 1 0 354.429 3.384 10 0 FGAERO C[NH2+]C[C@H]1CCCCN1Cc1cc(Br)c(Br)o1 ZINC000063166997 205292663 /nfs/dbraw/zinc/29/26/63/205292663.db2.gz OZTAIMQGILGHAE-SECBINFHSA-N 1 0 366.097 3.379 10 0 FGAERO CCOc1ccc(C[N@@H+]2CCC[C@@H]2Cn2cccn2)cc1COC(C)=O ZINC000063832167 205294595 /nfs/dbraw/zinc/29/45/95/205294595.db2.gz GDHRZJDKUBTESR-LJQANCHMSA-N 1 0 357.454 3.010 10 0 FGAERO CCOc1ccc(C[N@@H+]2CCC[C@H]2Cn2cccn2)cc1COC(C)=O ZINC000063832169 205294638 /nfs/dbraw/zinc/29/46/38/205294638.db2.gz GDHRZJDKUBTESR-IBGZPJMESA-N 1 0 357.454 3.010 10 0 FGAERO Cc1nn(C)c2c1[C@@H](c1ccccc1OCC[NH+]1CCCCC1)CC(=O)N2 ZINC000065470727 205353087 /nfs/dbraw/zinc/35/30/87/205353087.db2.gz IMDALYYUXGHVDD-QGZVFWFLSA-N 1 0 368.481 3.067 10 0 FGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cc(Br)cnc1Cl ZINC000050045056 206096815 /nfs/dbraw/zinc/09/68/15/206096815.db2.gz OBLVFXVLBVEYBW-NSHDSACASA-N 1 0 362.699 3.204 10 0 FGAERO CN(C(=O)OCc1ccccc1)[C@H](C[N@@H+]1CC[C@@H](O)C1)c1ccccc1 ZINC000002580980 206229476 /nfs/dbraw/zinc/22/94/76/206229476.db2.gz XXJCJEOBWAOPCT-WOJBJXKFSA-N 1 0 354.450 3.063 10 0 FGAERO CSc1nc(C)c(CCC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)c(C)n1 ZINC000052556539 257345884 /nfs/dbraw/zinc/34/58/84/257345884.db2.gz XQCJHNNHGXBPAT-SFHVURJKSA-N 1 0 372.538 3.167 10 0 FGAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000176436035 257365437 /nfs/dbraw/zinc/36/54/37/257365437.db2.gz XHNRZGCRXTYWGF-LBPRGKRZSA-N 1 0 359.297 3.158 10 0 FGAERO CSc1ccc(C(=O)N2CC[C@@H](C[N@H+](C)Cc3scnc3C)C2)o1 ZINC000190539599 257368758 /nfs/dbraw/zinc/36/87/58/257368758.db2.gz ATGTUSNBDKPKLS-ZDUSSCGKSA-N 1 0 365.524 3.361 10 0 FGAERO C[C@@H](C[NH+]1CCCCCC1)NC(=O)Nc1cc2c(cc1F)NC(=O)CC2 ZINC000333410355 257387515 /nfs/dbraw/zinc/38/75/15/257387515.db2.gz GTXGPVRGGXXHFI-ZDUSSCGKSA-N 1 0 362.449 3.096 10 0 FGAERO C[NH+](C)CCO[C@@H]1CC2(CCN(c3cnccn3)CC2)c2ccccc21 ZINC000096079149 132218639 /nfs/dbraw/zinc/21/86/39/132218639.db2.gz WZDGOGNPDGQWMF-LJQANCHMSA-N 1 0 352.482 3.038 10 0 FGAERO Cc1ccc(N2CCC([N@@H+]3CCCn4nc(CN(C)C)cc4C3)CC2)cc1 ZINC000072154842 136142956 /nfs/dbraw/zinc/14/29/56/136142956.db2.gz UXBQTBRQQNZBDE-UHFFFAOYSA-N 1 0 367.541 3.128 10 0 FGAERO CC[C@H](c1ccc(Br)cc1)[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000131684612 494698372 /nfs/dbraw/zinc/69/83/72/494698372.db2.gz UPDNPNIXNGVOEG-DLBZAZTESA-N 1 0 353.304 3.307 10 0 FGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1[nH]nc(C(C)C)c1Br ZINC000068307612 493794385 /nfs/dbraw/zinc/79/43/85/493794385.db2.gz QWPZQULNJFETQR-LLVKDONJSA-N 1 0 359.312 3.002 10 0 FGAERO C[C@@H](NC(=O)NC[C@H](O)C[NH+]1CCCCC1)c1ccc2ccccc2c1 ZINC000049172796 493864424 /nfs/dbraw/zinc/86/44/24/493864424.db2.gz UMOUBUWAVFERMR-UZLBHIALSA-N 1 0 355.482 3.047 10 0 FGAERO Cc1noc2nc(C3CC3)cc(C(=O)N[C@H](C[NH+](C)C)c3ccccc3)c12 ZINC000029954005 493869469 /nfs/dbraw/zinc/86/94/69/493869469.db2.gz KJNSLOYDYJKXEP-GOSISDBHSA-N 1 0 364.449 3.441 10 0 FGAERO CCNC(=O)c1cccc(NC(=O)C[NH2+][C@H](C)c2ccc(F)c(F)c2)c1 ZINC000007540768 494026982 /nfs/dbraw/zinc/02/69/82/494026982.db2.gz LVQSIUAAHDZLEH-GFCCVEGCSA-N 1 0 361.392 3.004 10 0 FGAERO COc1ccc2c(CC(=O)N[C@H](C[NH+](C)C)c3ccccc3)coc2c1 ZINC000052555482 494039620 /nfs/dbraw/zinc/03/96/20/494039620.db2.gz ORJUJOKXBRWUAR-LJQANCHMSA-N 1 0 352.434 3.403 10 0 FGAERO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc(F)ccc1F)c1ccc2c(c1)OCCO2 ZINC000052658472 494050862 /nfs/dbraw/zinc/05/08/62/494050862.db2.gz AOIJPQBALWPJOF-NEPJUHHUSA-N 1 0 362.376 3.414 10 0 FGAERO COc1ccc(CC[N@H+]2[C@H](C)CN(c3ccccn3)C[C@@H]2C)cc1OC ZINC000033638960 494061989 /nfs/dbraw/zinc/06/19/89/494061989.db2.gz IDNTZDUJFHUKQQ-CALCHBBNSA-N 1 0 355.482 3.241 10 0 FGAERO O=C1Nc2ccccc2CN1C1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000033876508 494064847 /nfs/dbraw/zinc/06/48/47/494064847.db2.gz YOXAEVSTKBLUOT-FQEVSTJZSA-N 1 0 351.450 3.232 10 0 FGAERO COc1ccc([C@@H]([NH3+])c2ccc(I)cc2)c(OC)c1 ZINC000034957801 494071975 /nfs/dbraw/zinc/07/19/75/494071975.db2.gz YNOVTFDHPCUSGK-HNNXBMFYSA-N 1 0 369.202 3.357 10 0 FGAERO CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@H](C)c1ccccc1 ZINC000038319336 494112671 /nfs/dbraw/zinc/11/26/71/494112671.db2.gz MHHDWWBEDLSZNN-DJIMGWMZSA-N 1 0 362.470 3.136 10 0 FGAERO C[NH+](C)CCNc1cc(-c2ccc3sc(N)nc3c2)c2cc[nH]c2n1 ZINC000072138968 494131627 /nfs/dbraw/zinc/13/16/27/494131627.db2.gz LMCYXTGJYHBWGY-UHFFFAOYSA-N 1 0 352.467 3.395 10 0 FGAERO CCCNC(=O)c1ccc(NC(=O)N[C@@H]2CCC[N@H+](CC)C2)cc1Cl ZINC000054476525 494239514 /nfs/dbraw/zinc/23/95/14/494239514.db2.gz UXDWAVGEOJRIRP-CQSZACIVSA-N 1 0 366.893 3.086 10 0 FGAERO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccco1)c1ccc(F)c(F)c1 ZINC000088478345 494242086 /nfs/dbraw/zinc/24/20/86/494242086.db2.gz MVILKKJCHIFRQZ-ZDUSSCGKSA-N 1 0 351.397 3.392 10 0 FGAERO Cc1ccccc1[C@@H](C)NC(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000042801183 494244938 /nfs/dbraw/zinc/24/49/38/494244938.db2.gz RWKZSPHKDZJJCV-QGZVFWFLSA-N 1 0 355.482 3.496 10 0 FGAERO C[NH+](C)C[C@H](NC(=O)NC1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000054681089 494260909 /nfs/dbraw/zinc/26/09/09/494260909.db2.gz MDMGKPWKFNVEAZ-NRFANRHFSA-N 1 0 366.509 3.258 10 0 FGAERO C[NH+]1CCN(c2cc3cnn(-c4ccc(F)cc4)c3c3ccncc32)CC1 ZINC000043204082 494276951 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IACNEKILTQORDK-HOTGVXAUSA-N 1 0 364.559 3.469 10 0 FGAERO Cc1cc(C)n(-c2cccc(NC(=O)N[C@H]3C[N@H+](C(C)C)C[C@@H]3C)c2)n1 ZINC000120454881 495382802 /nfs/dbraw/zinc/38/28/02/495382802.db2.gz HKRUCECUVLFCCJ-LIRRHRJNSA-N 1 0 355.486 3.339 10 0 FGAERO Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000114595950 495396598 /nfs/dbraw/zinc/39/65/98/495396598.db2.gz PSEZOBUIVMRCQK-MSOLQXFVSA-N 1 0 361.534 3.004 10 0 FGAERO COC(=O)Nc1cc(NC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)ccc1F ZINC000120571096 495407318 /nfs/dbraw/zinc/40/73/18/495407318.db2.gz WATBTYOBHZJENN-CQSZACIVSA-N 1 0 366.437 3.246 10 0 FGAERO Clc1ccc(-c2cc(C[N@@H+]3CCCN(c4cccnn4)CC3)on2)cc1 ZINC000106069850 495409028 /nfs/dbraw/zinc/40/90/28/495409028.db2.gz ICNYMYNZQXFINY-UHFFFAOYSA-N 1 0 369.856 3.497 10 0 FGAERO C[N@H+](Cc1ccc(OC(F)(F)F)cc1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000106076337 495410482 /nfs/dbraw/zinc/41/04/82/495410482.db2.gz WWIJDAWAHIFNOH-OAHLLOKOSA-N 1 0 366.387 3.476 10 0 FGAERO C[N@H+](Cc1ncc(-c2ccc(F)cc2)o1)[C@H]1CCCN(c2cccnn2)C1 ZINC000106077058 495410575 /nfs/dbraw/zinc/41/05/75/495410575.db2.gz BQZXAPSEIZSFOF-KRWDZBQOSA-N 1 0 367.428 3.372 10 0 FGAERO C[C@H]([NH2+]CC(=O)NC(=O)N[C@H]1CCCC[C@@H]1C)c1ccc(F)c(F)c1 ZINC000120596587 495413716 /nfs/dbraw/zinc/41/37/16/495413716.db2.gz OHAPQIBCWGCQSB-MKBNYLNASA-N 1 0 353.413 3.020 10 0 FGAERO C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2csc(-c3ccsc3)n2)CC1 ZINC000106124475 495417311 /nfs/dbraw/zinc/41/73/11/495417311.db2.gz WWDUOOOSNJIFGO-AWEZNQCLSA-N 1 0 365.568 3.396 10 0 FGAERO CCC[C@H](C(=O)N(C)CCCc1cc(-c2ccccc2)n(C)n1)[NH+](C)C ZINC000137047782 495419846 /nfs/dbraw/zinc/41/98/46/495419846.db2.gz JMBQYACETBTAHO-LJQANCHMSA-N 1 0 356.514 3.208 10 0 FGAERO Cn1cc(C[N@@H+]2CCCN(Cc3cccc(C(F)(F)F)c3)CC2)cn1 ZINC000106158095 495420661 /nfs/dbraw/zinc/42/06/61/495420661.db2.gz VQMOKXXSUFDQIS-UHFFFAOYSA-N 1 0 352.404 3.147 10 0 FGAERO CCN(C(=O)[C@H](C)[N@@H+]1CCC[C@H](Cn2nc(C)nc2C)C1)c1ccccc1 ZINC000106179619 495424944 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Cc1csc([C@@H]2CCCN(C(=O)NCCC[NH+]3CCC(C)CC3)C2)n1 ZINC000173532132 495576241 /nfs/dbraw/zinc/57/62/41/495576241.db2.gz SIZVEGUDUIEHHH-QGZVFWFLSA-N 1 0 364.559 3.463 10 0 FGAERO Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000154351983 495588935 /nfs/dbraw/zinc/58/89/35/495588935.db2.gz ZBWSTCRQFSTSQY-GOEBONIOSA-N 1 0 351.539 3.283 10 0 FGAERO C[NH+](C)C[C@@H](NC(=O)NCc1coc(-c2ccccc2)n1)c1ccccc1 ZINC000173562430 495589592 /nfs/dbraw/zinc/58/95/92/495589592.db2.gz ZGDQKERGQSPKDU-LJQANCHMSA-N 1 0 364.449 3.444 10 0 FGAERO CC(C)Oc1ccc(-c2nc(C(=O)N3CC[C@H]([NH+](C)C)C3)cs2)cc1 ZINC000170863840 495631817 /nfs/dbraw/zinc/63/18/17/495631817.db2.gz MAFYJRGKJZULPO-HNNXBMFYSA-N 1 0 359.495 3.373 10 0 FGAERO Cc1ccc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1NC(=O)c1ccco1 ZINC000159028221 495640111 /nfs/dbraw/zinc/64/01/11/495640111.db2.gz SRZXRJSYOZXEDM-YJBOKZPZSA-N 1 0 369.465 3.299 10 0 FGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cnc(Cc2ccccc2F)s1 ZINC000185605858 495641101 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0 FGAERO COc1ccc(-c2ccc(CNC(=O)N3CC[C@@H]([NH+](C)C)C3)s2)cc1 ZINC000176520966 495680315 /nfs/dbraw/zinc/68/03/15/495680315.db2.gz BWQPATUFXDIFRE-OAHLLOKOSA-N 1 0 359.495 3.269 10 0 FGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(COc2ccccc2F)on1 ZINC000185730658 495700708 /nfs/dbraw/zinc/70/07/08/495700708.db2.gz VFOMUCBYWWTXKP-LSDHHAIUSA-N 1 0 373.428 3.092 10 0 FGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cc2c(C(C)C)nn(C)c2s1 ZINC000173832804 495711590 /nfs/dbraw/zinc/71/15/90/495711590.db2.gz JXMAHFGREVGMAT-ZDUSSCGKSA-N 1 0 350.532 3.464 10 0 FGAERO C[NH+](C)[C@H]1CCN(C(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)C1 ZINC000171079671 495715954 /nfs/dbraw/zinc/71/59/54/495715954.db2.gz FFSDBYGPZUGIFO-SFHVURJKSA-N 1 0 370.428 3.246 10 0 FGAERO C[C@H](CNC(=O)N1CCCC[C@@H]1c1cn[nH]c1)[N@H+](C)Cc1ccccc1 ZINC000182826686 495718116 /nfs/dbraw/zinc/71/81/16/495718116.db2.gz GYDHBUAZSCGPFB-VQIMIIECSA-N 1 0 355.486 3.167 10 0 FGAERO CC(C(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)=C1CCCC1 ZINC000176679466 495745485 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FGAERO CN(Cc1nc2c(s1)CCCC2)C(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000176853809 495812724 /nfs/dbraw/zinc/81/27/24/495812724.db2.gz GQUJVSQRVAVHJG-QGZVFWFLSA-N 1 0 357.523 3.153 10 0 FGAERO Cc1nc(C[C@@H]2CCC[N@@H+](Cc3cn(C)nc3-c3ccccc3)C2)no1 ZINC000180000418 495816696 /nfs/dbraw/zinc/81/66/96/495816696.db2.gz BTJVYSNKZZMEHY-INIZCTEOSA-N 1 0 351.454 3.233 10 0 FGAERO C[NH+](C)Cc1ccc(N2CCN(C(=O)C[C@@H]3CCCCC3(C)C)CC2)nc1 ZINC000151454353 495844683 /nfs/dbraw/zinc/84/46/83/495844683.db2.gz SWPXVGWHPBSNJC-IBGZPJMESA-N 1 0 372.557 3.398 10 0 FGAERO O=C(NC[C@@H](O)C[NH+]1CCCCC1)Nc1cccc(-c2cccs2)c1 ZINC000171378971 495846070 /nfs/dbraw/zinc/84/60/70/495846070.db2.gz AKPWYEFKENHIBH-QGZVFWFLSA-N 1 0 359.495 3.383 10 0 FGAERO Cc1csc(CCCCNC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)n1 ZINC000155152785 495855084 /nfs/dbraw/zinc/85/50/84/495855084.db2.gz JOQJDCPPNYDSJA-MRXNPFEDSA-N 1 0 352.548 3.194 10 0 FGAERO O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000183195234 495875350 /nfs/dbraw/zinc/87/53/50/495875350.db2.gz RTVFWWKKBWOQHO-IBGZPJMESA-N 1 0 359.518 3.443 10 0 FGAERO O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000183195258 495875754 /nfs/dbraw/zinc/87/57/54/495875754.db2.gz RTVFWWKKBWOQHO-LJQANCHMSA-N 1 0 359.518 3.443 10 0 FGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1csc(-c2ccc(OC)cc2)n1 ZINC000177009312 495881227 /nfs/dbraw/zinc/88/12/27/495881227.db2.gz IQRNXLVYEUIHJM-OAHLLOKOSA-N 1 0 359.495 3.375 10 0 FGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(C(=O)OC(C)(C)C)cc1 ZINC000180188708 495898838 /nfs/dbraw/zinc/89/88/38/495898838.db2.gz ZVZVYUCHQZNNGK-ZWKOTPCHSA-N 1 0 358.482 3.341 10 0 FGAERO C[C@H](OC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1cnn(C)c1)c1ccc(Cl)cc1 ZINC000171504541 495902918 /nfs/dbraw/zinc/90/29/18/495902918.db2.gz CSDHNFJYNKEPOY-ZOCIIQOWSA-N 1 0 363.889 3.349 10 0 FGAERO CC(C)[C@H](CNC(=O)C[NH+]1CCC(Cn2cccn2)CC1)c1ccccc1 ZINC000171509759 495905687 /nfs/dbraw/zinc/90/56/87/495905687.db2.gz WOXOHOMLKCPKDP-NRFANRHFSA-N 1 0 368.525 3.151 10 0 FGAERO CCO[C@@H]1C[C@@H]([NH2+]C2CCN(CCc3ccccc3)CC2)C12CCOCC2 ZINC000186241190 495909970 /nfs/dbraw/zinc/90/99/70/495909970.db2.gz JUSPLYUMGBIJBN-FGZHOGPDSA-N 1 0 372.553 3.257 10 0 FGAERO CC(C)[N@H+]1C[C@H](NC(=O)NCc2ccccc2N2CCCCC2)[C@@H](C)C1 ZINC000183275577 495912163 /nfs/dbraw/zinc/91/21/63/495912163.db2.gz BOVUYONVKZHUCG-HKUYNNGSSA-N 1 0 358.530 3.205 10 0 FGAERO CCc1noc([C@H](C)N2CC[NH+]([C@H](C)CCc3cccc(F)c3)CC2)n1 ZINC000183279510 495912925 /nfs/dbraw/zinc/91/29/25/495912925.db2.gz BILMUYWPWQFBHB-CVEARBPZSA-N 1 0 360.477 3.471 10 0 FGAERO FC(F)(F)c1cccc(OCCC[N@@H+]2CCC[C@H](n3cncn3)C2)c1 ZINC000171525428 495913539 /nfs/dbraw/zinc/91/35/39/495913539.db2.gz YGNBPKNHQNGGIT-HNNXBMFYSA-N 1 0 354.376 3.403 10 0 FGAERO Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3ccc(F)c(Cl)c3)C2=O)n(C)n1 ZINC000174344248 495920294 /nfs/dbraw/zinc/92/02/94/495920294.db2.gz FUJZOPIOLCDYGR-BLLLJJGKSA-N 1 0 364.852 3.367 10 0 FGAERO CCO[C@@H]1C[C@@H]([NH2+]CC(C)(C)N2CCc3ccccc3C2)C12CCOCC2 ZINC000186279651 495926280 /nfs/dbraw/zinc/92/62/80/495926280.db2.gz SFLGZYSCRPDHED-NHCUHLMSSA-N 1 0 372.553 3.387 10 0 FGAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)C12CCOCC2 ZINC000186280171 495926668 /nfs/dbraw/zinc/92/66/68/495926668.db2.gz AXYLUXYIMCRZDU-IAGOWNOFSA-N 1 0 367.873 3.175 10 0 FGAERO CC(C)COc1ccc([C@@H](C)NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)cc1 ZINC000155397121 495944986 /nfs/dbraw/zinc/94/49/86/495944986.db2.gz REAZDAUVNBRZNJ-MJGOQNOKSA-N 1 0 357.498 3.438 10 0 FGAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc(OCC3CCOCC3)cc2)C1 ZINC000151787159 495947762 /nfs/dbraw/zinc/94/77/62/495947762.db2.gz YEZYNPGCKWPGNM-SFHVURJKSA-N 1 0 361.486 3.098 10 0 FGAERO Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)CN1CCc3ccccc3C1)CCCO2 ZINC000151790623 495949329 /nfs/dbraw/zinc/94/93/29/495949329.db2.gz HQMWVDHUFZDPJH-UNMCSNQZSA-N 1 0 366.505 3.218 10 0 FGAERO CCc1noc(-c2ccc(C)c(NC(=O)N[C@@H]3CCC[N@@H+](CC)C3)c2)n1 ZINC000177157904 495953706 /nfs/dbraw/zinc/95/37/06/495953706.db2.gz COGACEZCQKGMSS-OAHLLOKOSA-N 1 0 357.458 3.213 10 0 FGAERO CCO[C@H]1C[C@H]([NH2+]CCc2nc(C(F)(F)F)cs2)C12CCOCC2 ZINC000186365972 495966688 /nfs/dbraw/zinc/96/66/88/495966688.db2.gz HFRHNVIXSJOLMX-AAEUAGOBSA-N 1 0 364.433 3.268 10 0 FGAERO COCc1cc(CNC(=O)N[C@H](C[NH+](C)C)c2ccccc2)ccc1F ZINC000171679783 495985795 /nfs/dbraw/zinc/98/57/95/495985795.db2.gz VWKMZELEFSCCJW-LJQANCHMSA-N 1 0 359.445 3.074 10 0 FGAERO CCO[C@@H]1C[C@H]([NH2+]CCc2nc3c(s2)CCCC3)C12CCOCC2 ZINC000186405655 495986293 /nfs/dbraw/zinc/98/62/93/495986293.db2.gz BLKZELBEPLGTFR-DLBZAZTESA-N 1 0 350.528 3.128 10 0 FGAERO CCO[C@H]1C[C@H]([NH2+]CCOc2ccc(C(F)(F)F)cn2)C12CCOCC2 ZINC000186420235 495992117 /nfs/dbraw/zinc/99/21/17/495992117.db2.gz YZFYTAUINJFMKX-GJZGRUSLSA-N 1 0 374.403 3.043 10 0 FGAERO C[C@H]1C[N@H+](Cc2cc(-c3ccc(Cl)cc3)no2)C[C@@H]1N1CCOCC1 ZINC000177249796 495993709 /nfs/dbraw/zinc/99/37/09/495993709.db2.gz WBJOYLXEBLBGRL-LIRRHRJNSA-N 1 0 361.873 3.148 10 0 FGAERO CCO[C@@H]1C[C@H]([NH2+]CCCc2cc(OC)ccc2OC)C12CCOCC2 ZINC000186434871 495997725 /nfs/dbraw/zinc/99/77/25/495997725.db2.gz ODRBVFIOVRCSLC-VQTJNVASSA-N 1 0 363.498 3.200 10 0 FGAERO C[C@H]1C[N@H+](Cc2ccccc2Oc2cccnc2)C[C@@H]1N1CCOCC1 ZINC000177276969 496004077 /nfs/dbraw/zinc/00/40/77/496004077.db2.gz FJGBNRDXHCRUAR-PXNSSMCTSA-N 1 0 353.466 3.026 10 0 FGAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@H](C)c1cccc(N3CCOC3=O)c1)CC2 ZINC000180499300 496022174 /nfs/dbraw/zinc/02/21/74/496022174.db2.gz JPRRNFBXKDHZDU-GDBMZVCRSA-N 1 0 369.469 3.024 10 0 FGAERO COCc1cc([C@H](C)[NH2+][C@H]2CCc3nnc(C(C)C)n3C2)ccc1OC ZINC000180511108 496026241 /nfs/dbraw/zinc/02/62/41/496026241.db2.gz YIQYXWMVVNTUEC-YOEHRIQHSA-N 1 0 358.486 3.222 10 0 FGAERO CC[C@@H]1CN(C(=O)CCCCCc2cccs2)CC[N@@H+]1C[C@@H](C)O ZINC000174625151 496036893 /nfs/dbraw/zinc/03/68/93/496036893.db2.gz VUBDCUBHLFVXLX-IAGOWNOFSA-N 1 0 352.544 3.155 10 0 FGAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@H](C)Cc2ccccc2Cl)CC1 ZINC000152088742 496044028 /nfs/dbraw/zinc/04/40/28/496044028.db2.gz OLPYQYVIQQBLSQ-JKSUJKDBSA-N 1 0 366.933 3.070 10 0 FGAERO CCc1nc2c(s1)[C@@H]([NH2+]C[C@@H]1CCCN1c1cc(NC)ncn1)CCC2 ZINC000180578000 496052155 /nfs/dbraw/zinc/05/21/55/496052155.db2.gz AVTZWMFOGUXJQV-KBPBESRZSA-N 1 0 372.542 3.173 10 0 FGAERO CCn1cnnc1C1CC[NH+](Cc2cc(=O)oc3cc(C)ccc23)CC1 ZINC000152152143 496062880 /nfs/dbraw/zinc/06/28/80/496062880.db2.gz IYMXTMIBRNEDBC-UHFFFAOYSA-N 1 0 352.438 3.092 10 0 FGAERO C[C@@H]([NH2+]C[C@@H](O)c1cccc(Cl)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000174697424 496067723 /nfs/dbraw/zinc/06/77/23/496067723.db2.gz FQFCFQPFWGFTOL-SJKOYZFVSA-N 1 0 353.871 3.128 10 0 FGAERO CC(C)c1noc(-c2ccc(NC(=O)N3CC[N@@H+]4CCC[C@H]4C3)cc2)n1 ZINC000171892637 496079559 /nfs/dbraw/zinc/07/95/59/496079559.db2.gz KLVIYVFNKRIVST-INIZCTEOSA-N 1 0 355.442 3.172 10 0 FGAERO C[C@H]([NH2+]CCC(=O)Nc1cc(N)ccc1F)c1cccc(-n2ccnc2)c1 ZINC000180658924 496091322 /nfs/dbraw/zinc/09/13/22/496091322.db2.gz OYHKSIMFSBEFHO-AWEZNQCLSA-N 1 0 367.428 3.273 10 0 FGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCc1nc(C(C)(C)C)cs1 ZINC000174758504 496094637 /nfs/dbraw/zinc/09/46/37/496094637.db2.gz MCHAZCDINUJAQH-HUUCEWRRSA-N 1 0 364.559 3.251 10 0 FGAERO CCc1nccn1[C@@H]1CCCN(C(=O)NCc2cccc(C[NH+](C)C)c2)C1 ZINC000152258475 496097155 /nfs/dbraw/zinc/09/71/55/496097155.db2.gz UZIKJOWTAHOGTK-LJQANCHMSA-N 1 0 369.513 3.054 10 0 FGAERO CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[NH2+][C@@H](C)c1cccs1 ZINC000180672803 496097880 /nfs/dbraw/zinc/09/78/80/496097880.db2.gz BMAQKCMMIFUOJL-AWEZNQCLSA-N 1 0 362.495 3.465 10 0 FGAERO O=C(NC[C@@H](O)C[NH+]1CCCCC1)Nc1cccc(N2CCCCCC2)c1 ZINC000152266691 496099520 /nfs/dbraw/zinc/09/95/20/496099520.db2.gz KSRVMQVUFUWADX-HXUWFJFHSA-N 1 0 374.529 3.035 10 0 FGAERO CCOCCN1CC[N@H+](C[C@@H](C)Cc2ccc(OC)c(F)c2)C[C@@H]1C ZINC000186694106 496110513 /nfs/dbraw/zinc/11/05/13/496110513.db2.gz PHNWUPILUJOGLX-IRXDYDNUSA-N 1 0 352.494 3.056 10 0 FGAERO CC(C)c1nc2c(n1C)CCN(C(=O)C[C@H](C)C(=O)c1cccc(F)c1)C2 ZINC000174817154 496119642 /nfs/dbraw/zinc/11/96/42/496119642.db2.gz GVPMJJOQNZWEAP-AWEZNQCLSA-N 1 0 371.456 3.476 10 0 FGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCc1nnc(-c2ccc(Cl)cc2)o1 ZINC000174849601 496133126 /nfs/dbraw/zinc/13/31/26/496133126.db2.gz UTRSXVPFTMVSFF-CZUORRHYSA-N 1 0 374.872 3.018 10 0 FGAERO COc1ccc(-c2ccncc2)cc1C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000186758038 496137185 /nfs/dbraw/zinc/13/71/85/496137185.db2.gz FTXQOULQFAPOEV-QGZVFWFLSA-N 1 0 363.465 3.261 10 0 FGAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1csc(CC(=O)Nc2ccccc2)n1 ZINC000177699817 496163449 /nfs/dbraw/zinc/16/34/49/496163449.db2.gz MAFMYSXRMFLWJM-SFHVURJKSA-N 1 0 372.538 3.240 10 0 FGAERO O=C(NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)Nc1ccccc1 ZINC000172117573 496173185 /nfs/dbraw/zinc/17/31/85/496173185.db2.gz MRJHNVFJERPECD-HXUWFJFHSA-N 1 0 353.466 3.254 10 0 FGAERO Cc1nc(-c2cccc(NC(=O)CN3CC[N@@H+]4CCCC[C@@H]4C3)c2)cs1 ZINC000177755439 496183342 /nfs/dbraw/zinc/18/33/42/496183342.db2.gz OMJJVHBAEAYIHN-GOSISDBHSA-N 1 0 370.522 3.227 10 0 FGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(CSc2nccn2C)o1 ZINC000175001233 496202173 /nfs/dbraw/zinc/20/21/73/496202173.db2.gz JBLPOQBBAYYKNT-LSDHHAIUSA-N 1 0 374.510 3.004 10 0 FGAERO CCOCC[N@@H+]1CCN(Cc2nc(C(F)(F)F)cs2)C[C@H]1CC ZINC000152614664 496203131 /nfs/dbraw/zinc/20/31/31/496203131.db2.gz PMJQIZMAVMUVTE-GFCCVEGCSA-N 1 0 351.438 3.095 10 0 FGAERO CC1(CO)CC[NH+](C[C@H](O)COC(c2ccccc2)c2ccccc2)CC1 ZINC000186912723 496206843 /nfs/dbraw/zinc/20/68/43/496206843.db2.gz XDPVLHOHQROGTC-NRFANRHFSA-N 1 0 369.505 3.248 10 0 FGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc(OC)c(OC)cc1SC ZINC000184054778 496220207 /nfs/dbraw/zinc/22/02/07/496220207.db2.gz FPPDMFXNCLWDBX-JKSUJKDBSA-N 1 0 350.528 3.484 10 0 FGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(-n2cc[nH]c2=S)cc1 ZINC000175046011 496224564 /nfs/dbraw/zinc/22/45/64/496224564.db2.gz LSBPMLXRUQROLT-NVXWUHKLSA-N 1 0 356.495 3.234 10 0 FGAERO C[C@@H]([NH2+][C@@H](C)C1CCS(=O)(=O)CC1)c1cccc(Br)c1 ZINC000186963507 496231401 /nfs/dbraw/zinc/23/14/01/496231401.db2.gz HEZFYWLUDNFNDJ-NWDGAFQWSA-N 1 0 360.317 3.313 10 0 FGAERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)Nc1ccccc1C[S@](C)=O ZINC000184294230 496323099 /nfs/dbraw/zinc/32/30/99/496323099.db2.gz FFVRGUJVQAMMFF-QMTYFTJSSA-N 1 0 373.522 3.207 10 0 FGAERO CCOc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](Cn4cncn4)C3)co2)cc1 ZINC000156753292 496326882 /nfs/dbraw/zinc/32/68/82/496326882.db2.gz WTBJQCFVFOZRCF-MRXNPFEDSA-N 1 0 367.453 3.244 10 0 FGAERO C[NH+](C)Cc1cccc(NC(=O)[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000175332178 496343281 /nfs/dbraw/zinc/34/32/81/496343281.db2.gz REUSFUVMNVCYDD-DOTOQJQBSA-N 1 0 361.486 3.380 10 0 FGAERO CC(C)Cc1ccc(CCC(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000162365234 496344078 /nfs/dbraw/zinc/34/40/78/496344078.db2.gz SPCUERZOXBETSE-IBGZPJMESA-N 1 0 374.569 3.369 10 0 FGAERO Cc1ccc(Cl)c(NC(=O)C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)c1 ZINC000153073869 496344589 /nfs/dbraw/zinc/34/45/89/496344589.db2.gz UYGXPJYYJQAHRI-KRWDZBQOSA-N 1 0 359.857 3.006 10 0 FGAERO CCCOc1cc(C)ccc1NC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](CC)C1 ZINC000175345319 496348753 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3.186 10 0 FGAERO COCCCOc1cccc(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)c1 ZINC000172703468 496393090 /nfs/dbraw/zinc/39/30/90/496393090.db2.gz HYCPHUVFAAPBEC-FQEVSTJZSA-N 1 0 356.466 3.135 10 0 FGAERO CN(CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)C(=O)NCC(C)(C)C ZINC000175443568 496393481 /nfs/dbraw/zinc/39/34/81/496393481.db2.gz XGHQQENNBDVVMY-IBGZPJMESA-N 1 0 361.530 3.120 10 0 FGAERO Cc1nccn1C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)N1CCCc2ccccc21 ZINC000178327912 496414785 /nfs/dbraw/zinc/41/47/85/496414785.db2.gz SVAGTLKWCNRXDG-LPHOPBHVSA-N 1 0 352.482 3.024 10 0 FGAERO CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)cc1 ZINC000157207299 496429520 /nfs/dbraw/zinc/42/95/20/496429520.db2.gz YLIGMMWFVGSRFY-UNMCSNQZSA-N 1 0 373.541 3.365 10 0 FGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1cnn(-c2ccccc2F)c1C ZINC000157219396 496431581 /nfs/dbraw/zinc/43/15/81/496431581.db2.gz DOLZFDFSTNLKAN-HNNXBMFYSA-N 1 0 359.449 3.268 10 0 FGAERO Cc1cc(CCCC(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)c(C)s1 ZINC000175553814 496439723 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3.349 10 0 FGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccccc1OCC(F)F ZINC000182041088 496646030 /nfs/dbraw/zinc/64/60/30/496646030.db2.gz XZMLUECMLZZNCB-UONOGXRCSA-N 1 0 353.413 3.421 10 0 FGAERO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000176036668 496653467 /nfs/dbraw/zinc/65/34/67/496653467.db2.gz KZLRDADPNRFFEW-LJQANCHMSA-N 1 0 365.477 3.189 10 0 FGAERO CC(C)[NH+]1CCC(NC(=O)N2CCC[C@@H]2C[C@H](O)c2ccccc2)CC1 ZINC000173378949 496666531 /nfs/dbraw/zinc/66/65/31/496666531.db2.gz JTFRZOWKJGAYTD-UXHICEINSA-N 1 0 359.514 3.157 10 0 FGAERO C[C@H](NC(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1ccc(OC(F)(F)F)cc1 ZINC000188071938 496670948 /nfs/dbraw/zinc/67/09/48/496670948.db2.gz RLKBWNVIEHEXOZ-JSGCOSHPSA-N 1 0 357.376 3.136 10 0 FGAERO Cc1cc(Cl)c(C(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1C ZINC000182108125 496673290 /nfs/dbraw/zinc/67/32/90/496673290.db2.gz LXZWZTHVPFZGBR-OAHLLOKOSA-N 1 0 352.906 3.122 10 0 FGAERO C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 ZINC000158321335 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KXHTYOWUUJGTBQ-QRWLVFNGSA-N 1 0 366.461 3.082 10 0 FGAERO C[NH+](C)C[C@H]1CN([C@H]2CCCc3ccc(Br)cc32)CCO1 ZINC000247217194 496806978 /nfs/dbraw/zinc/80/69/78/496806978.db2.gz VTQGTNHQBPJRHG-RDJZCZTQSA-N 1 0 353.304 3.089 10 0 FGAERO Cc1ccc(OCc2cccc(C(=O)N[C@@H]3C[N@H+](C(C)C)C[C@H]3C)c2)cn1 ZINC000247296141 496826643 /nfs/dbraw/zinc/82/66/43/496826643.db2.gz LBNCGYNQFONKJU-IIBYNOLFSA-N 1 0 367.493 3.428 10 0 FGAERO O=C(N[C@@H](Cc1ccccc1)C(F)(F)F)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000247295347 496826875 /nfs/dbraw/zinc/82/68/75/496826875.db2.gz UJZRTQWSIZLDBT-HOTGVXAUSA-N 1 0 355.404 3.040 10 0 FGAERO C[C@@H]1CN(c2ccccc2NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)C[C@@H](C)O1 ZINC000247335416 496838543 /nfs/dbraw/zinc/83/85/43/496838543.db2.gz NDDKPRMHFIJVRI-TVFCKZIOSA-N 1 0 372.513 3.001 10 0 FGAERO CCc1c(NC(=O)N[C@@H]2CCC[N@@H+](CC)C2)cnn1-c1ccccc1C ZINC000191640822 496843611 /nfs/dbraw/zinc/84/36/11/496843611.db2.gz FPFGUVKTLKDMLS-MRXNPFEDSA-N 1 0 355.486 3.349 10 0 FGAERO Cc1cc(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)ccc1Br ZINC000247412077 496853339 /nfs/dbraw/zinc/85/33/39/496853339.db2.gz ZGSOOXBKTJDUAR-OCCSQVGLSA-N 1 0 352.276 3.458 10 0 FGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCc1cccc(Br)c1 ZINC000247460056 496863568 /nfs/dbraw/zinc/86/35/68/496863568.db2.gz QSLVMCDPEUNPOP-BBRMVZONSA-N 1 0 351.288 3.077 10 0 FGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccccc1OCC(F)(F)F ZINC000247486791 496870207 /nfs/dbraw/zinc/87/02/07/496870207.db2.gz TXPUYUBNRHEEOX-HIFRSBDPSA-N 1 0 371.403 3.006 10 0 FGAERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(CC(=O)Nc2cccc(Cl)c2)C1 ZINC000195277018 496872978 /nfs/dbraw/zinc/87/29/78/496872978.db2.gz OEYKSHQGBJICOS-KRWDZBQOSA-N 1 0 372.900 3.127 10 0 FGAERO CSc1cnn(-c2ccccc2)c1NC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000247550844 496885824 /nfs/dbraw/zinc/88/58/24/496885824.db2.gz QWMGKRLVLMFJIB-GDBMZVCRSA-N 1 0 373.526 3.444 10 0 FGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(Cl)ccc1Br ZINC000247559627 496888495 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FGAERO CCc1nccn1[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2)C1 ZINC000247815795 496918561 /nfs/dbraw/zinc/91/85/61/496918561.db2.gz WEFKVPLFCYYUBW-DLBZAZTESA-N 1 0 363.889 3.176 10 0 FGAERO C[C@H](Cc1ccc(Br)cc1)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247815280 496919314 /nfs/dbraw/zinc/91/93/14/496919314.db2.gz VZPLUJDXTJTQHX-CPUCHLNUSA-N 1 0 365.315 3.323 10 0 FGAERO CC[C@H](CC(=O)N1CCC(N(C)CC(=O)OC(C)(C)C)CC1)C(C)C ZINC000191910438 496929212 /nfs/dbraw/zinc/92/92/12/496929212.db2.gz MVBPSSXOOHWCLL-MRXNPFEDSA-N 1 0 354.535 3.323 10 0 FGAERO O=C(C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1)N1CCC(Cc2ccccc2)CC1 ZINC000247955614 496932366 /nfs/dbraw/zinc/93/23/66/496932366.db2.gz FNIOLPNAISKLIR-GMAHTHKFSA-N 1 0 370.537 3.095 10 0 FGAERO COC(=O)c1ccc(CN2C[C@H](O)C[C@H]2c2cc(F)ccc2F)c(F)c1 ZINC000247971874 496936201 /nfs/dbraw/zinc/93/62/01/496936201.db2.gz FUFPSKONWWKFHB-KDOFPFPSSA-N 1 0 365.351 3.198 10 0 FGAERO C[C@@H]([NH2+]CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1)c1cccs1 ZINC000195485374 496937380 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FGAERO O=C(CCCOc1cccc(Cl)c1Cl)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195339129 496895337 /nfs/dbraw/zinc/89/53/37/496895337.db2.gz LBFRHKXQFWHIMV-ZDUSSCGKSA-N 1 0 357.281 3.459 10 0 FGAERO CCOCC[N@@H+]1CCN([C@H](C)C(=O)Nc2cc(C)cc(C)c2)C[C@H]1CC ZINC000247599497 496895470 /nfs/dbraw/zinc/89/54/70/496895470.db2.gz KUCGITAVKNEKID-UYAOXDASSA-N 1 0 361.530 3.063 10 0 FGAERO CC[C@H]1CN(Cc2coc(-c3cccc(Cl)c3)n2)CC[N@@H+]1C[C@H](C)O ZINC000247607160 496895866 /nfs/dbraw/zinc/89/58/66/496895866.db2.gz LVZSQRGZRITBCD-KSSFIOAISA-N 1 0 363.889 3.272 10 0 FGAERO CC[C@@H]1CN(Cc2csc(-c3ccccc3F)n2)CC[N@@H+]1C[C@H](C)O ZINC000247806241 496917237 /nfs/dbraw/zinc/91/72/37/496917237.db2.gz SSWHLPHKDONPIJ-GOEBONIOSA-N 1 0 363.502 3.226 10 0 FGAERO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[NH2+]Cc1nnc(-c2ccco2)o1 ZINC000191913469 496930298 /nfs/dbraw/zinc/93/02/98/496930298.db2.gz OFHSZXRVBBTQTE-STQMWFEESA-N 1 0 362.430 3.113 10 0 FGAERO CCn1cc(C2CC[NH+]([C@H](C)C(=O)N[C@H](C)c3ccc(F)cc3)CC2)cn1 ZINC000195500147 496940093 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FGAERO O=C(c1cccc(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c1)N1CCCCC1 ZINC000248177174 496969450 /nfs/dbraw/zinc/96/94/50/496969450.db2.gz VTLSFHIVTIGUDM-UNMCSNQZSA-N 1 0 356.510 3.440 10 0 FGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cc(OC)c(OC)cc1SC ZINC000248392753 496992579 /nfs/dbraw/zinc/99/25/79/496992579.db2.gz FPPDMFXNCLWDBX-HOTGVXAUSA-N 1 0 350.528 3.484 10 0 FGAERO C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@H]2[NH2+]C[C@@]1(O)CCOC1 ZINC000248409648 497001157 /nfs/dbraw/zinc/00/11/57/497001157.db2.gz XAELJFKGEHKVNY-YOCVKEFZSA-N 1 0 371.521 3.358 10 0 FGAERO Cc1ccc([C@H](C)[NH2+]CCN(Cc2ccccc2)S(C)(=O)=O)cc1F ZINC000192161253 497018442 /nfs/dbraw/zinc/01/84/42/497018442.db2.gz CTTBTUFUKMHTDZ-INIZCTEOSA-N 1 0 364.486 3.247 10 0 FGAERO C[C@H](C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)N(C)CC(F)(F)F ZINC000192193507 497027942 /nfs/dbraw/zinc/02/79/42/497027942.db2.gz FLNFAQRXJWRHDG-WBVHZDCISA-N 1 0 371.447 3.040 10 0 FGAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CO)c1ccc(I)cc1 ZINC000223866074 497044303 /nfs/dbraw/zinc/04/43/03/497044303.db2.gz RHWNSVHDYAJJSB-NJZAAPMLSA-N 1 0 359.251 3.493 10 0 FGAERO Cc1cccc(COc2cccc(C(=O)N3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)c2)c1 ZINC000248612649 497057165 /nfs/dbraw/zinc/05/71/65/497057165.db2.gz LGOJRWSDWGORRB-JBACZVJFSA-N 1 0 350.462 3.383 10 0 FGAERO Cc1ccc([C@@H](C)NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)o1 ZINC000192271846 497058339 /nfs/dbraw/zinc/05/83/39/497058339.db2.gz ZCZPSDCRHYBOQF-IEBWSBKVSA-N 1 0 371.481 3.239 10 0 FGAERO CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)cc1 ZINC000248708897 497084470 /nfs/dbraw/zinc/08/44/70/497084470.db2.gz MKRTVYLKHQIHOC-QMMLZNLJSA-N 1 0 357.542 3.056 10 0 FGAERO C[NH+](C)CCCOc1c(Br)cc(C=O)cc1Br ZINC000234231469 497111603 /nfs/dbraw/zinc/11/16/03/497111603.db2.gz ISFHJKMTPBEBDM-UHFFFAOYSA-N 1 0 365.065 3.355 10 0 FGAERO O[C@@H]1CC[C@H](C[NH2+][C@@H](c2ccc(Br)cc2)c2cncnc2)C1 ZINC000248974935 497143471 /nfs/dbraw/zinc/14/34/71/497143471.db2.gz DHUJAIYOBBVCAT-VUCTXSBTSA-N 1 0 362.271 3.079 10 0 FGAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)C12CCOCC2 ZINC000248997368 497147421 /nfs/dbraw/zinc/14/74/21/497147421.db2.gz MIGHLPKQUGCTHB-ATZDWAIDSA-N 1 0 374.481 3.268 10 0 FGAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](c2ccco2)N(CC)CC)C12CCOCC2 ZINC000249001250 497149547 /nfs/dbraw/zinc/14/95/47/497149547.db2.gz NBXXCZAFOINKSH-QXAKKESOSA-N 1 0 350.503 3.226 10 0 FGAERO CCC[C@@H]([NH3+])C(=O)Nc1cc(C(=O)OC)ccc1OCc1ccccc1 ZINC000237006723 497180342 /nfs/dbraw/zinc/18/03/42/497180342.db2.gz YHJBGBWTBROJSY-MRXNPFEDSA-N 1 0 356.422 3.118 10 0 FGAERO Cc1nc([C@@H]2CCCN2C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000249294742 497189456 /nfs/dbraw/zinc/18/94/56/497189456.db2.gz XZEABAMTFLSHNQ-CPUCHLNUSA-N 1 0 350.532 3.418 10 0 FGAERO COc1ccc([C@H](NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)C(F)(F)F)cc1 ZINC000249402439 497199557 /nfs/dbraw/zinc/19/95/57/497199557.db2.gz CLBBMPQDWHXAQK-INWMFGNUSA-N 1 0 371.403 3.177 10 0 FGAERO COc1ccc(-c2nc(C)c([C@H](C)NC(=O)[C@@H]3CC[C@@H]([NH3+])C3)s2)cc1 ZINC000237475465 497242081 /nfs/dbraw/zinc/24/20/81/497242081.db2.gz NRPJOTVXNOWRKZ-NILFDRSVSA-N 1 0 359.495 3.432 10 0 FGAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](C)c2ccccc2Br)C1 ZINC000249771009 497246452 /nfs/dbraw/zinc/24/64/52/497246452.db2.gz SCZGDZZTTSCXTK-OLZOCXBDSA-N 1 0 354.292 3.294 10 0 FGAERO O[C@H](COCc1ccccc1Cl)C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000192924939 497248784 /nfs/dbraw/zinc/24/87/84/497248784.db2.gz IEFIRPAGTWIKRH-KBPBESRZSA-N 1 0 351.796 3.492 10 0 FGAERO O[C@@H](C[NH2+][C@H]1CCSc2ccccc21)CN1CCc2ccccc2C1 ZINC000250229145 497264226 /nfs/dbraw/zinc/26/42/26/497264226.db2.gz IIERDUPWUWLEQP-ICSRJNTNSA-N 1 0 354.519 3.232 10 0 FGAERO Cc1noc2nc(-c3ccc(C)cc3)cc(C(=O)N3CCCC[C@H]3C[NH3+])c12 ZINC000237717163 497281339 /nfs/dbraw/zinc/28/13/39/497281339.db2.gz MBSPNTFJNHGKAE-INIZCTEOSA-N 1 0 364.449 3.460 10 0 FGAERO C[C@@H]1CC[C@H](NC(=O)N2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)[C@@H](C)C1 ZINC000251713950 497282837 /nfs/dbraw/zinc/28/28/37/497282837.db2.gz 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Cc1nn(C)c2ncc(C[NH2+]C[C@H]3CCCCN3Cc3ccccc3)cc12 ZINC000237892017 497309230 /nfs/dbraw/zinc/30/92/30/497309230.db2.gz VEIHEQGXYPWCAR-HXUWFJFHSA-N 1 0 363.509 3.421 10 0 FGAERO [NH3+][C@H]1CC[C@H](C(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)C1 ZINC000237927025 497315015 /nfs/dbraw/zinc/31/50/15/497315015.db2.gz HKEJUSAPTIQAHO-HKUYNNGSSA-N 1 0 360.461 3.283 10 0 FGAERO Cc1cc(C(=O)N2C[C@@H]3CCCC[N@H+]3C[C@H]2C)ccc1Br ZINC000252726121 497317486 /nfs/dbraw/zinc/31/74/86/497317486.db2.gz NMSRDCFSFRHTOA-HIFRSBDPSA-N 1 0 351.288 3.456 10 0 FGAERO [NH3+]C[C@@H]1CCCN1C(=O)CCCSc1ccc(Br)cc1 ZINC000237940214 497317338 /nfs/dbraw/zinc/31/73/38/497317338.db2.gz OYGVSUFULXBDQM-ZDUSSCGKSA-N 1 0 357.317 3.271 10 0 FGAERO [NH3+]C[C@H]1CCCCN1C(=O)CCSc1ccccc1Br ZINC000237942782 497318239 /nfs/dbraw/zinc/31/82/39/497318239.db2.gz WKUKKGFVNPHCDB-GFCCVEGCSA-N 1 0 357.317 3.271 10 0 FGAERO O=C(C[C@@H]1CCC[N@H+]1C[C@@H](O)COCc1ccco1)c1ccc(F)cc1 ZINC000252692336 497318364 /nfs/dbraw/zinc/31/83/64/497318364.db2.gz 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Cc1nc(C)c(C[N@@H+]2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C2)s1 ZINC000248590502 713654265 /nfs/dbraw/zinc/65/42/65/713654265.db2.gz KUPHKYXKDYEFAJ-RRFJBIMHSA-N 1 0 351.516 3.495 10 0 FGAERO COc1cccc(C[NH2+]C[C@H](c2cccs2)N2CCO[C@@H](C)C2)c1F ZINC000249208660 713664769 /nfs/dbraw/zinc/66/47/69/713664769.db2.gz CHOFBGBPAKMDRI-GOEBONIOSA-N 1 0 364.486 3.447 10 0 FGAERO Cc1ccc(NS(=O)(=O)/C=C\c2ccccc2)c(OCC[NH+](C)C)c1 ZINC000255674324 713703946 /nfs/dbraw/zinc/70/39/46/713703946.db2.gz HUZHUIZORKZNKJ-KAMYIIQDSA-N 1 0 360.479 3.348 10 0 FGAERO C[NH2+][C@H](C)CNC(=O)[C@@H](Oc1ccc(F)c(Cl)c1)c1ccccc1 ZINC000261614201 713711603 /nfs/dbraw/zinc/71/16/03/713711603.db2.gz AMWVJJATPQCWSD-PXAZEXFGSA-N 1 0 350.821 3.323 10 0 FGAERO C[NH2+][C@@H](C)CNC(=O)c1cc2c(C)nn(-c3cccc(Cl)c3)c2s1 ZINC000261764806 713713816 /nfs/dbraw/zinc/71/38/16/713713816.db2.gz OQPRKUBBPRZSMQ-JTQLQIEISA-N 1 0 362.886 3.387 10 0 FGAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)NCC1(c2cccc(Br)c2)CCC1 ZINC000261871842 713715484 /nfs/dbraw/zinc/71/54/84/713715484.db2.gz XYNGZXZDEXMIPF-CZUORRHYSA-N 1 0 365.315 3.362 10 0 FGAERO COC[C@@H]([NH3+])C(=O)N(Cc1ccc(-c2cccc(F)c2)s1)C(C)C ZINC000262558570 713727523 /nfs/dbraw/zinc/72/75/23/713727523.db2.gz QDZUQNPXUCVVIO-MRXNPFEDSA-N 1 0 350.459 3.265 10 0 FGAERO C[C@@H](C[NH2+]Cc1c[nH]nc1-c1cccs1)N(C)C(=O)OC(C)(C)C ZINC000305975129 713794185 /nfs/dbraw/zinc/79/41/85/713794185.db2.gz DQOXZCYNWQSFSW-LBPRGKRZSA-N 1 0 350.488 3.483 10 0 FGAERO C[C@@H]([NH2+]CCCCn1ccnc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000310475596 713799346 /nfs/dbraw/zinc/79/93/46/713799346.db2.gz NOTYEGBINOOPHB-SJORKVTESA-N 1 0 350.507 3.289 10 0 FGAERO C[N@@H+]1CC[C@H]2CN(C(=O)c3cccc(Br)c3Cl)C[C@@H]2C1 ZINC000380711772 713977041 /nfs/dbraw/zinc/97/70/41/713977041.db2.gz IIEKFAWTVAGAON-QWRGUYRKSA-N 1 0 357.679 3.126 10 0 FGAERO Cc1cc(N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)ncc1Br ZINC000630092081 716387978 /nfs/dbraw/zinc/38/79/78/716387978.db2.gz JQOHQHRQRFDWTE-UWVGGRQHSA-N 1 0 352.198 3.116 10 0 FGAERO CCn1nc(C)c([C@H](C)[NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)c1C ZINC000715138065 722415790 /nfs/dbraw/zinc/41/57/90/722415790.db2.gz UBPFQMVBTCEWOK-VBNZEHGJSA-N 1 0 350.507 3.474 10 0 FGAERO CO[C@]1(C[NH2+][C@@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CCSC1 ZINC000719250789 722418518 /nfs/dbraw/zinc/41/85/18/722418518.db2.gz ODHKUWZSKNOBOZ-DAYGRLMNSA-N 1 0 358.548 3.134 10 0 FGAERO CCc1[nH]nc(C(=O)N(CCc2ccccc2)CC2CC[NH+](C)CC2)c1C ZINC000011935592 204422763 /nfs/dbraw/zinc/42/27/63/204422763.db2.gz DEBFTNCWZOPFIK-UHFFFAOYSA-N 1 0 368.525 3.307 10 0 FGAERO CC(C)C[NH2+][C@@H]1C[C@@H](C(=O)NC(C)C)N(Cc2cccc(Cl)c2)C1 ZINC000020907418 204741113 /nfs/dbraw/zinc/74/11/13/204741113.db2.gz TYDUFFRQEUWXFU-MSOLQXFVSA-N 1 0 351.922 3.053 10 0 FGAERO Cc1ccccc1OC[C@@H](O)C[N@@H+](Cc1ccsc1)C[C@@H]1CCCO1 ZINC000036031600 205001729 /nfs/dbraw/zinc/00/17/29/205001729.db2.gz AORWICNRHRPKJS-OALUTQOASA-N 1 0 361.507 3.477 10 0 FGAERO COc1ccc(-c2nc(N[C@H]3CCC[NH2+]C3)cc(-c3ccccn3)n2)cc1 ZINC000073685170 205033266 /nfs/dbraw/zinc/03/32/66/205033266.db2.gz BGXQXFXPSLDTCK-INIZCTEOSA-N 1 0 361.449 3.378 10 0 FGAERO Cc1cc(Br)oc1C(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000044364082 205107923 /nfs/dbraw/zinc/10/79/23/205107923.db2.gz HIVOQARZKCAWJT-ZDUSSCGKSA-N 1 0 351.244 3.383 10 0 FGAERO CCC[NH2+]Cc1cc(Br)cnc1-n1cc(Br)cn1 ZINC000051493281 205184017 /nfs/dbraw/zinc/18/40/17/205184017.db2.gz GVTMGTFQTPQDTI-UHFFFAOYSA-N 1 0 374.080 3.292 10 0 FGAERO CCOC(=O)C[C@@H](C)C[C@@H]([NH3+])c1ccc(I)cc1 ZINC000061829889 205287783 /nfs/dbraw/zinc/28/77/83/205287783.db2.gz FUIXKGSZDOWXEX-GXFFZTMASA-N 1 0 361.223 3.270 10 0 FGAERO COc1cccc([C@H](C[NH3+])Oc2ccc(I)cc2)c1 ZINC000043030868 206014789 /nfs/dbraw/zinc/01/47/89/206014789.db2.gz PAECFAFMASGCTN-HNNXBMFYSA-N 1 0 369.202 3.379 10 0 FGAERO Cc1ccc(NC(=O)C(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc1C(F)(F)F ZINC000121873408 206110879 /nfs/dbraw/zinc/11/08/79/206110879.db2.gz FTZFJLJFGPNFON-AWEZNQCLSA-N 1 0 373.419 3.045 10 0 FGAERO COc1cc2c(cc1OC)CN([C@@H]1CCC[N@H+](Cc3ccccn3)C1)CC2 ZINC000019770366 206333076 /nfs/dbraw/zinc/33/30/76/206333076.db2.gz JISMHCGVKXKMFV-HXUWFJFHSA-N 1 0 367.493 3.122 10 0 FGAERO O[C@@]1(c2ccccc2)C[N+](c2ccc3c(c2)OCCO3)=C2CCCCCN21 ZINC000027525309 206454475 /nfs/dbraw/zinc/45/44/75/206454475.db2.gz GGHOVXJYYUBFNK-JOCHJYFZSA-N 1 0 365.453 3.108 10 0 FGAERO CC(C)n1cc(Br)cc1C(=O)Nc1nc2c(s1)C[NH2+]CC2 ZINC000036857534 257338220 /nfs/dbraw/zinc/33/82/20/257338220.db2.gz CQUBVRFENHHAOE-UHFFFAOYSA-N 1 0 369.288 3.186 10 0 FGAERO Cc1nc(C(F)(F)F)c(C[N@@H+](C)[C@H]2CCCN(c3cccnn3)C2)s1 ZINC000183580661 257367837 /nfs/dbraw/zinc/36/78/37/257367837.db2.gz RIBBMTZCVZBXJC-LBPRGKRZSA-N 1 0 371.432 3.361 10 0 FGAERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)Nc2ccc(F)cc2F)C1 ZINC000190442809 257368317 /nfs/dbraw/zinc/36/83/17/257368317.db2.gz CIQBENRTMRHACY-HNNXBMFYSA-N 1 0 360.408 3.346 10 0 FGAERO Cc1nc(CCCC(=O)N2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)cs1 ZINC000190581257 257369064 /nfs/dbraw/zinc/36/90/64/257369064.db2.gz VUCRDODCNBQEFZ-GOSISDBHSA-N 1 0 372.538 3.150 10 0 FGAERO CS[C@@H](C(=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1)c1ccccc1 ZINC000190580660 257369522 /nfs/dbraw/zinc/36/95/22/257369522.db2.gz SRIKCINUYBQZCE-UYAOXDASSA-N 1 0 369.534 3.466 10 0 FGAERO C[NH+](C)CCn1ccnc1[C@@H]1CCCN(c2cc(C(F)(F)F)ccn2)C1 ZINC000095365808 132208145 /nfs/dbraw/zinc/20/81/45/132208145.db2.gz DJBMXBLXGCDFMH-CQSZACIVSA-N 1 0 367.419 3.243 10 0 FGAERO CC[NH+]1CCN(c2cc(NC(=O)c3ccccc3F)c(N)cc2C)CC1 ZINC000226331004 132250677 /nfs/dbraw/zinc/25/06/77/132250677.db2.gz TUVRRVAXWAAMFH-UHFFFAOYSA-N 1 0 356.445 3.111 10 0 FGAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc(NC(=O)c3ccco3)c(C)c2)C1 ZINC000057869497 493810674 /nfs/dbraw/zinc/81/06/74/493810674.db2.gz KQSCRCYBOWTDMO-MRXNPFEDSA-N 1 0 370.453 3.446 10 0 FGAERO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000076318560 493864589 /nfs/dbraw/zinc/86/45/89/493864589.db2.gz FFCWNVGAUYRFIC-SJCJKPOMSA-N 1 0 356.869 3.450 10 0 FGAERO Cc1[nH]nc2ncc(C(=O)NC[C@@H]3CCCC[N@@H+]3Cc3ccccc3)cc12 ZINC000062228174 494005461 /nfs/dbraw/zinc/00/54/61/494005461.db2.gz RGJAXHHEWLAIIF-SFHVURJKSA-N 1 0 363.465 3.051 10 0 FGAERO COc1ccc2c(CC(=O)N[C@@H](C[NH+](C)C)c3ccccc3)coc2c1 ZINC000052555479 494039638 /nfs/dbraw/zinc/03/96/38/494039638.db2.gz ORJUJOKXBRWUAR-IBGZPJMESA-N 1 0 352.434 3.403 10 0 FGAERO CC(C)(C)OC(=O)NC1CC[NH+](C[C@@H](O)c2ccccc2Cl)CC1 ZINC000070459715 494044490 /nfs/dbraw/zinc/04/44/90/494044490.db2.gz GILFWUDYNQZUCI-MRXNPFEDSA-N 1 0 354.878 3.363 10 0 FGAERO Cc1cc(I)ccc1NC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000070575062 494045260 /nfs/dbraw/zinc/04/52/60/494045260.db2.gz ZJQCXEQJGRVIBS-JQWIXIFHSA-N 1 0 358.223 3.056 10 0 FGAERO Cc1ccc(CNC(=O)[C@H](C)[NH2+][C@H](C)c2ccc3c(c2)OCCO3)cc1 ZINC000052658498 494051159 /nfs/dbraw/zinc/05/11/59/494051159.db2.gz FKKMJEQJNJXCIT-CVEARBPZSA-N 1 0 354.450 3.122 10 0 FGAERO CCc1ccc([C@@H](C)NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000077335080 494059848 /nfs/dbraw/zinc/05/98/48/494059848.db2.gz LOCWJUHBFLVIBE-SJLPKXTDSA-N 1 0 359.514 3.110 10 0 FGAERO O[C@H](COc1ccccc1)C[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000035717476 494081261 /nfs/dbraw/zinc/08/12/61/494081261.db2.gz JHVZWJLKIRYOHD-FPOVZHCZSA-N 1 0 359.441 3.247 10 0 FGAERO O[C@H](COCc1ccccc1)C[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000084963715 494108759 /nfs/dbraw/zinc/10/87/59/494108759.db2.gz KBDOLKMDFFXPMP-IBGZPJMESA-N 1 0 359.441 3.247 10 0 FGAERO O=c1[nH]c(CC[N@H+]2CCC[C@H]2C[C@@H](O)c2ccccc2)nc2ccccc21 ZINC000072867468 494272199 /nfs/dbraw/zinc/27/21/99/494272199.db2.gz ISRFIIHDSYVERX-FXAWDEMLSA-N 1 0 363.461 3.054 10 0 FGAERO O=C(c1ccccc1)C1CC[NH+](C[C@H](O)COCc2ccccc2)CC1 ZINC000066349861 494318359 /nfs/dbraw/zinc/31/83/59/494318359.db2.gz MYPLSTLINIPUCA-NRFANRHFSA-N 1 0 353.462 3.159 10 0 FGAERO COc1ccc(C(=O)Nc2cccc(C[NH2+][C@H]3CCCC[C@H]3O)c2)cc1 ZINC000078724785 494348861 /nfs/dbraw/zinc/34/88/61/494348861.db2.gz BIARRKQOEPRRIZ-VQTJNVASSA-N 1 0 354.450 3.341 10 0 FGAERO C[C@H](NC(=O)NCCC[N@@H+]1CCCC[C@@H]1C)c1cccc(-n2ccnc2)c1 ZINC000073530133 494384080 /nfs/dbraw/zinc/38/40/80/494384080.db2.gz ZGLXWQHZNIUAPE-ROUUACIJSA-N 1 0 369.513 3.497 10 0 FGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N1CCC[C@@H]1c1ccc(OC)cc1OC ZINC000046280915 494511884 /nfs/dbraw/zinc/51/18/84/494511884.db2.gz BNHJDVYKCOYMJF-MAUKXSAKSA-N 1 0 363.502 3.281 10 0 FGAERO Cc1cc(N2CC[NH+]([C@@H](C)c3ccc4ccccc4c3)CC2)n2ncnc2n1 ZINC000079879086 494542039 /nfs/dbraw/zinc/54/20/39/494542039.db2.gz YDEYJDXAUUCJEO-KRWDZBQOSA-N 1 0 372.476 3.469 10 0 FGAERO O=C(CN1CC[N@@H+]2CCC[C@@H]2C1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000023249632 494558818 /nfs/dbraw/zinc/55/88/18/494558818.db2.gz BOECRPORUQSUBF-GFCCVEGCSA-N 1 0 361.795 3.077 10 0 FGAERO CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@@H](C)c2ccc(C)o2)[C@H](C)C1 ZINC000115703258 494599478 /nfs/dbraw/zinc/59/94/78/494599478.db2.gz MYCNTJXYTAIPTM-PVAVHDDUSA-N 1 0 351.491 3.085 10 0 FGAERO CCOCC[N@@H+]1CCN(CC(=O)Nc2c(C)cccc2Cl)C[C@@H]1CC ZINC000131428008 494615317 /nfs/dbraw/zinc/61/53/17/494615317.db2.gz DKFYBBRTRRAYSI-INIZCTEOSA-N 1 0 367.921 3.020 10 0 FGAERO C[NH+](C)[C@H]1CCN(C(=O)Nc2cccc(C[S@](=O)c3ccccc3)c2)C1 ZINC000115776532 494619421 /nfs/dbraw/zinc/61/94/21/494619421.db2.gz CNHJHBUDQXALSC-HFJWLAOPSA-N 1 0 371.506 3.162 10 0 FGAERO C[C@H](NC(=O)N(C)C[C@H]1CCC[N@H+](C)C1)c1ccccc1Br ZINC000115785140 494622458 /nfs/dbraw/zinc/62/24/58/494622458.db2.gz IKIQQYYTOVWZSP-KBPBESRZSA-N 1 0 368.319 3.493 10 0 FGAERO C[C@H](NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)c1cccc(-n2ccnc2)c1 ZINC000074876625 494638285 /nfs/dbraw/zinc/63/82/85/494638285.db2.gz BUVPJMGGCAUJBJ-PKOBYXMFSA-N 1 0 369.513 3.449 10 0 FGAERO CC[C@H](O)C[NH+]1CCN(Cc2nc(C)c(-c3ccc(Cl)cc3)o2)CC1 ZINC000121204766 494645534 /nfs/dbraw/zinc/64/55/34/494645534.db2.gz SRAUGEPPKHISLG-KRWDZBQOSA-N 1 0 363.889 3.192 10 0 FGAERO CC(C)Cn1ccnc(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1=O ZINC000091734686 494661348 /nfs/dbraw/zinc/66/13/48/494661348.db2.gz VEYYLIRLLZRVCP-PKOBYXMFSA-N 1 0 354.498 3.364 10 0 FGAERO CC(C)Cc1ncc(CN(C)C2CC[NH+](CCn3cccn3)CC2)s1 ZINC000121240772 494662613 /nfs/dbraw/zinc/66/26/13/494662613.db2.gz JZHNCAKAQIWMHU-UHFFFAOYSA-N 1 0 361.559 3.135 10 0 FGAERO CC[N@H+](Cc1ccc(C(=O)N[C@H](C)c2nnc3n2CCCC3)cc1)C(C)C ZINC000131632610 494681094 /nfs/dbraw/zinc/68/10/94/494681094.db2.gz OONVVGHTQMXUIN-MRXNPFEDSA-N 1 0 369.513 3.336 10 0 FGAERO CCc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc(C(=O)NC)c2)cc1 ZINC000126260143 494689394 /nfs/dbraw/zinc/68/93/94/494689394.db2.gz DJSQHWHTIKJFSF-HUUCEWRRSA-N 1 0 353.466 3.286 10 0 FGAERO Cc1cc(N2CCC[C@@H]([NH2+]Cc3csc4ccccc34)C2=O)n(C)n1 ZINC000080546185 494732453 /nfs/dbraw/zinc/73/24/53/494732453.db2.gz PPEYVQOCKPOJMN-MRXNPFEDSA-N 1 0 354.479 3.228 10 0 FGAERO C[C@H](NC(=O)[C@H](Cc1ccccc1)[NH+](C)C)c1ccc(-n2cccn2)cc1 ZINC000075348310 494739021 /nfs/dbraw/zinc/73/90/21/494739021.db2.gz BEYVLCQMGRZHOK-UWJYYQICSA-N 1 0 362.477 3.222 10 0 FGAERO CC(=O)N(Cc1ccc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1)C(C)C ZINC000092762659 494740890 /nfs/dbraw/zinc/74/08/90/494740890.db2.gz DYDWEICHEIFOBI-OXQOHEQNSA-N 1 0 372.513 3.144 10 0 FGAERO CC(C)OC(=O)NCc1ccc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC000092762858 494741117 /nfs/dbraw/zinc/74/11/17/494741117.db2.gz FCXRUHZZTWZYAR-MAUKXSAKSA-N 1 0 374.485 3.022 10 0 FGAERO CCc1noc([C@H](C)N2CCN(Cc3cnc(CC(C)C)s3)CC2)n1 ZINC000121424577 494749748 /nfs/dbraw/zinc/74/97/48/494749748.db2.gz CSUHRYZQQNMDLR-AWEZNQCLSA-N 1 0 363.531 3.166 10 0 FGAERO CC(C)Cc1ccc([C@@H](C)NC(=O)C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)cc1 ZINC000116312748 494758274 /nfs/dbraw/zinc/75/82/74/494758274.db2.gz IKSHJMQWBIBTAD-XLIONFOSSA-N 1 0 368.525 3.285 10 0 FGAERO Cn1cc([C@H]2CC[N@H+](Cc3csc(-c4ccc5c(c4)OCO5)n3)C2)cn1 ZINC000116319246 494760656 /nfs/dbraw/zinc/76/06/56/494760656.db2.gz ICALLDXXMHVLEX-AWEZNQCLSA-N 1 0 368.462 3.262 10 0 FGAERO Cc1nc(C[C@H]2CCC[N@H+](Cc3ccc(OCC(F)F)cc3)C2)no1 ZINC000092813835 494761756 /nfs/dbraw/zinc/76/17/56/494761756.db2.gz CKWGQELLRWEVEA-OAHLLOKOSA-N 1 0 351.397 3.477 10 0 FGAERO Clc1ccc(OCc2cccnc2)c(C[NH2+][C@H]2CCc3ncnn3C2)c1 ZINC000109072048 494826817 /nfs/dbraw/zinc/82/68/17/494826817.db2.gz YPSBNSNQNLHCAW-KRWDZBQOSA-N 1 0 369.856 3.010 10 0 FGAERO C[NH+](C)CCOc1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000109088526 494829696 /nfs/dbraw/zinc/82/96/96/494829696.db2.gz IRYKKGGTJJGCIO-ZWKOTPCHSA-N 1 0 374.431 3.325 10 0 FGAERO CCn1cc(C[N@@H+]2CCCN(Cc3cc(-c4ccccc4)n[nH]3)CC2)cn1 ZINC000121653310 494831762 /nfs/dbraw/zinc/83/17/62/494831762.db2.gz GBEBMSLZYYSKMW-UHFFFAOYSA-N 1 0 364.497 3.001 10 0 FGAERO CCOCC[N@@H+]1CCN(C(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)C[C@@H]1CC ZINC000116769099 494850517 /nfs/dbraw/zinc/85/05/17/494850517.db2.gz WPFJBMPTPANRRA-HRCADAONSA-N 1 0 366.452 3.028 10 0 FGAERO CCOCC[N@@H+]1CCN(C(=O)Nc2ccc(-c3cc[nH]n3)cc2)C[C@@H]1CC ZINC000132359976 494862733 /nfs/dbraw/zinc/86/27/33/494862733.db2.gz KICMWUFIDUBHKI-SFHVURJKSA-N 1 0 371.485 3.041 10 0 FGAERO CCc1ccc(NC(=O)N(C)C2CC[NH+](CCn3cccn3)CC2)cc1 ZINC000109380282 494866132 /nfs/dbraw/zinc/86/61/32/494866132.db2.gz MFRGZXJYRQVRIF-UHFFFAOYSA-N 1 0 355.486 3.074 10 0 FGAERO CCCc1ccc(NC(=O)N(C)C2CC[NH+](CCn3cccn3)CC2)cc1 ZINC000109380763 494866663 /nfs/dbraw/zinc/86/66/63/494866663.db2.gz IMWHJMZYGSIALS-UHFFFAOYSA-N 1 0 369.513 3.464 10 0 FGAERO Cc1ccccc1[C@@H](C)NC(=O)N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000109390913 494868256 /nfs/dbraw/zinc/86/82/56/494868256.db2.gz BDMJSNBRMZYWMQ-GOSISDBHSA-N 1 0 369.513 3.059 10 0 FGAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc(CN(C(C)=O)C(C)C)cc2)C1 ZINC000117011189 494884080 /nfs/dbraw/zinc/88/40/80/494884080.db2.gz WETFHXDTBKVRPS-LJQANCHMSA-N 1 0 360.502 3.049 10 0 FGAERO C[C@H](NC(=O)N1CCO[C@H](C[NH+](C)C)C1)c1ccc(Cl)c(Cl)c1 ZINC000117025612 494885808 /nfs/dbraw/zinc/88/58/08/494885808.db2.gz PNINKJAXEHPVEC-WCQYABFASA-N 1 0 360.285 3.026 10 0 FGAERO CCN(CC)c1ncc(C[N@@H+]2CCC[C@@H](Cn3nc(C)nc3C)C2)s1 ZINC000121911611 494887498 /nfs/dbraw/zinc/88/74/98/494887498.db2.gz PIVSWXGDSWXIAY-MRXNPFEDSA-N 1 0 362.547 3.110 10 0 FGAERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3ccc(OCC(F)F)cc3)C2)n1 ZINC000121930944 494892883 /nfs/dbraw/zinc/89/28/83/494892883.db2.gz GWZXTVGCGCMPTI-QGZVFWFLSA-N 1 0 364.440 3.451 10 0 FGAERO C[NH+](C)C[C@H]1CN(CCSc2ccnc3cc(Cl)ccc32)CCO1 ZINC000122029262 494912320 /nfs/dbraw/zinc/91/23/20/494912320.db2.gz LDNPOLBATOXAIE-HNNXBMFYSA-N 1 0 365.930 3.243 10 0 FGAERO CC[C@H]1CN(C(=O)Nc2ccc(C)c(OC(F)F)c2)CC[N@@H+]1CCOC ZINC000117459349 494922588 /nfs/dbraw/zinc/92/25/88/494922588.db2.gz ZEKHRHNRZBOYRO-HNNXBMFYSA-N 1 0 371.428 3.171 10 0 FGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000117477534 494925483 /nfs/dbraw/zinc/92/54/83/494925483.db2.gz SLNBAQPEMJWBGV-JTQLQIEISA-N 1 0 363.346 3.243 10 0 FGAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1CCOc1ccccc1Br ZINC000127356938 494933142 /nfs/dbraw/zinc/93/31/42/494933142.db2.gz ZWRRWOCNCHVZPZ-HNNXBMFYSA-N 1 0 364.287 3.497 10 0 FGAERO C[C@@H](Oc1cccnc1)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000117633166 494939414 /nfs/dbraw/zinc/93/94/14/494939414.db2.gz JRFSZDAROUJLCA-IEBWSBKVSA-N 1 0 353.466 3.020 10 0 FGAERO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N[C@@H](C)c2cccc(-n3ccnc3)c2)C1 ZINC000122226533 494942588 /nfs/dbraw/zinc/94/25/88/494942588.db2.gz KLIPWSNPWPOPTH-ROUUACIJSA-N 1 0 369.513 3.210 10 0 FGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1csc(Cc2ccccc2F)n1 ZINC000117805100 494957061 /nfs/dbraw/zinc/95/70/61/494957061.db2.gz VDEGHPDTGNZONJ-DZGCQCFKSA-N 1 0 359.470 3.182 10 0 FGAERO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000122493876 494985079 /nfs/dbraw/zinc/98/50/79/494985079.db2.gz PTVUDZQJMFJJMK-CVEARBPZSA-N 1 0 357.420 3.143 10 0 FGAERO C[C@H]1CN(Cc2ccccc2)CCC[N@@H+]1C[C@H](O)COCc1ccccc1 ZINC000133221337 494986384 /nfs/dbraw/zinc/98/63/84/494986384.db2.gz KDZAXDDFIRUXSA-REWPJTCUSA-N 1 0 368.521 3.161 10 0 FGAERO O=C(N[C@@H](Cc1ccccc1)C(F)(F)F)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000122643879 495009081 /nfs/dbraw/zinc/00/90/81/495009081.db2.gz OPZIKWCNWVTCCR-CVEARBPZSA-N 1 0 355.404 3.040 10 0 FGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCCc1ccccc1Br ZINC000133409371 495010714 /nfs/dbraw/zinc/01/07/14/495010714.db2.gz BBXQVAGZEYRPSB-GOEBONIOSA-N 1 0 365.315 3.467 10 0 FGAERO CC[NH+](CC)[C@H](C(=O)N1CCO[C@@H](c2nccs2)C1)c1ccccc1 ZINC000110873012 495015640 /nfs/dbraw/zinc/01/56/40/495015640.db2.gz KJXUVMFCQXAQDV-SJORKVTESA-N 1 0 359.495 3.126 10 0 FGAERO COc1ccc2cc(C[N@@H+]3CCCN(Cc4noc(C)n4)CC3)ccc2c1 ZINC000127911914 495016705 /nfs/dbraw/zinc/01/67/05/495016705.db2.gz FBYMPYLSQAZCPH-UHFFFAOYSA-N 1 0 366.465 3.248 10 0 FGAERO COc1cc(F)c2c(c1)[C@@]([NH3+])(CCO)c1cc(Br)ccc1O2 ZINC000118743201 495030859 /nfs/dbraw/zinc/03/08/59/495030859.db2.gz KSWNYBFVOANZEB-MRXNPFEDSA-N 1 0 368.202 3.287 10 0 FGAERO CCN(CC)c1ccc(CNC(=O)N[C@H](C[NH+](C)C)c2ccccc2)cn1 ZINC000097406604 495034947 /nfs/dbraw/zinc/03/49/47/495034947.db2.gz ZIHWKGWCENHXTG-LJQANCHMSA-N 1 0 369.513 3.030 10 0 FGAERO CCc1nccn1[C@H]1CCC[N@H+](Cc2ccc(-n3cncn3)c(C)c2)C1 ZINC000122844123 495039865 /nfs/dbraw/zinc/03/98/65/495039865.db2.gz IMCSWXAFPFOBAI-SFHVURJKSA-N 1 0 350.470 3.172 10 0 FGAERO CCc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccccc2SCC(N)=O)cc1 ZINC000128111356 495046402 /nfs/dbraw/zinc/04/64/02/495046402.db2.gz BZMVAGWBBKYBIY-AWEZNQCLSA-N 1 0 371.506 3.116 10 0 FGAERO CCc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccccc2SCC(N)=O)cc1 ZINC000128111165 495046449 /nfs/dbraw/zinc/04/64/49/495046449.db2.gz BZMVAGWBBKYBIY-CQSZACIVSA-N 1 0 371.506 3.116 10 0 FGAERO Cc1cc(-c2noc(C[S@@](=O)Cc3nccn3C(C)C)n2)ccc1F ZINC000133724549 495051638 /nfs/dbraw/zinc/05/16/38/495051638.db2.gz VXOVSLVMXUPQLC-RUZDIDTESA-N 1 0 362.430 3.410 10 0 FGAERO CSc1ccc([C@@H](C)[NH2+]C[C@H](O)CN2CCc3ccccc3C2)cc1 ZINC000098144429 495061958 /nfs/dbraw/zinc/06/19/58/495061958.db2.gz XILVYKAWENMOKK-UZLBHIALSA-N 1 0 356.535 3.478 10 0 FGAERO CCCC(=O)N[C@H]1CCCN(Cc2coc(-c3ccc(OC)cc3)n2)C1 ZINC000101563814 495077550 /nfs/dbraw/zinc/07/75/50/495077550.db2.gz OPGKHGCJRWLYQV-INIZCTEOSA-N 1 0 357.454 3.231 10 0 FGAERO CC[NH+](CC)[C@@H](C)CNC(=O)C1CCC(NC(=O)CC2CCCC2)CC1 ZINC000101641225 495088525 /nfs/dbraw/zinc/08/85/25/495088525.db2.gz XPDXEHJFEUYPRR-IVMQYODDSA-N 1 0 365.562 3.088 10 0 FGAERO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1cccnc1N1CCC(C(N)=O)CC1 ZINC000119090331 495089779 /nfs/dbraw/zinc/08/97/79/495089779.db2.gz QJLMXGHCUNWZRY-OALUTQOASA-N 1 0 372.557 3.478 10 0 FGAERO Cc1nc(NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)ccc1Br ZINC000128395767 495090898 /nfs/dbraw/zinc/09/08/98/495090898.db2.gz PJQKGDANZFRRCF-GWCFXTLKSA-N 1 0 355.280 3.003 10 0 FGAERO CC(C)[N@H+]1C[C@H](NC(=O)N[C@@H](C)c2nc(C3CCCCC3)no2)[C@@H](C)C1 ZINC000123230869 495100323 /nfs/dbraw/zinc/10/03/23/495100323.db2.gz HTTUDSFOCIVUDP-DZKIICNBSA-N 1 0 363.506 3.206 10 0 FGAERO Cn1cc([C@H]2CC[N@H+](CC3=Cc4cc(Br)ccc4OC3)C2)cn1 ZINC000128501319 495106747 /nfs/dbraw/zinc/10/67/47/495106747.db2.gz FMAWGUBCZFSEAY-AWEZNQCLSA-N 1 0 374.282 3.448 10 0 FGAERO CCc1nc2c(s1)[C@@H](N(C)C(=O)N[C@H]1CCC[N@@H+](CC)C1)CCC2 ZINC000119168163 495108683 /nfs/dbraw/zinc/10/86/83/495108683.db2.gz QALYZNKOZJNLCD-ZFWWWQNUSA-N 1 0 350.532 3.209 10 0 FGAERO C[NH+](C)CCN(Cc1ccccn1)C(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000119239606 495124218 /nfs/dbraw/zinc/12/42/18/495124218.db2.gz AIYCVUBZDOFELV-FQEVSTJZSA-N 1 0 370.472 3.372 10 0 FGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Cc1cc(F)ccc1Br ZINC000119255891 495128649 /nfs/dbraw/zinc/12/86/49/495128649.db2.gz HXRZMFUJHPKVDZ-AWEZNQCLSA-N 1 0 357.267 3.073 10 0 FGAERO O[C@@H](C[N@@H+]1CCC[C@H](Cn2cncn2)C1)c1ccc(Cl)cc1Cl ZINC000134330099 495135752 /nfs/dbraw/zinc/13/57/52/495135752.db2.gz FJQXSUSOELQHSH-LRDDRELGSA-N 1 0 355.269 3.031 10 0 FGAERO C[NH+](C)C[C@H]1CN(CCCCOc2cccc(C(F)(F)F)c2)CCO1 ZINC000119298227 495137045 /nfs/dbraw/zinc/13/70/45/495137045.db2.gz ZHSXANIZHMBNJR-KRWDZBQOSA-N 1 0 360.420 3.127 10 0 FGAERO Cc1ccc(-c2nc(CCNC(=O)N[C@@H](CC(C)C)C[NH+](C)C)co2)cc1 ZINC000102556581 495141545 /nfs/dbraw/zinc/14/15/45/495141545.db2.gz IKBUPMLQHLBDHX-IBGZPJMESA-N 1 0 372.513 3.468 10 0 FGAERO CCCC[N@H+](C)CC1CCN(C(=O)[C@H](C)NC(=O)Nc2ccccc2)CC1 ZINC000123557971 495151745 /nfs/dbraw/zinc/15/17/45/495151745.db2.gz VOEVUUJGHHGOBO-KRWDZBQOSA-N 1 0 374.529 3.167 10 0 FGAERO CC[C@H](O)C[NH+]1CCN(Cc2ccc(Oc3cccnc3)c(C)c2)CC1 ZINC000123565689 495153427 /nfs/dbraw/zinc/15/34/27/495153427.db2.gz BIKUUCPCWPHFDO-IBGZPJMESA-N 1 0 355.482 3.071 10 0 FGAERO CCOCC[N@@H+]1CCN(C(=O)[C@@H]2C[C@@H]2c2sccc2C)C[C@@H]1CC ZINC000123631715 495163717 /nfs/dbraw/zinc/16/37/17/495163717.db2.gz WZHOVSIMCLAOCV-YESZJQIVSA-N 1 0 350.528 3.119 10 0 FGAERO Cc1cnn(CC[NH2+][C@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)c1 ZINC000112552264 495204842 /nfs/dbraw/zinc/20/48/42/495204842.db2.gz HFFDNLZBKFQQOB-DLBZAZTESA-N 1 0 350.466 3.200 10 0 FGAERO Cc1cnn(CC[NH2+][C@H](C)C(=O)Nc2ccccc2Cc2ccccc2)c1 ZINC000112552197 495204891 /nfs/dbraw/zinc/20/48/91/495204891.db2.gz ASVPLTCKTMFGLS-GOSISDBHSA-N 1 0 362.477 3.399 10 0 FGAERO Cc1cnn(CC[NH2+][C@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000112552245 495204909 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3.143 10 0 FGAERO CCCC(=O)N[C@@H]1CCCN(Cc2cc(F)ccc2Br)C1 ZINC000104682583 495296452 /nfs/dbraw/zinc/29/64/52/495296452.db2.gz WGZXDUFXLWSHEX-CQSZACIVSA-N 1 0 357.267 3.469 10 0 FGAERO O[C@@H](COC(c1ccccc1)c1ccccc1)C[N@@H+]1CCOCC12CCC2 ZINC000135492930 495301170 /nfs/dbraw/zinc/30/11/70/495301170.db2.gz BALGHFPRLDEQLW-OAQYLSRUSA-N 1 0 367.489 3.408 10 0 FGAERO CCc1csc([C@@H]2CCCN(C(=O)NCC[N@@H+](C)[C@@H](C)CC)C2)n1 ZINC000113612793 495320941 /nfs/dbraw/zinc/32/09/41/495320941.db2.gz YBVZJIQUUZSMJT-LSDHHAIUSA-N 1 0 352.548 3.325 10 0 FGAERO O=C(Nc1ccccc1OCC(F)(F)F)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000104988873 495322726 /nfs/dbraw/zinc/32/27/26/495322726.db2.gz YWAQBMCYXBZAKV-ZDUSSCGKSA-N 1 0 357.376 3.330 10 0 FGAERO C[C@@H](NC(=O)NC[C@H](C)[N@H+](C)C1CC1)c1ccc(OC(F)(F)F)cc1 ZINC000105109388 495336655 /nfs/dbraw/zinc/33/66/55/495336655.db2.gz OFIWUKPMAYKTBJ-NWDGAFQWSA-N 1 0 359.392 3.428 10 0 FGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NCCc1nc(C(C)(C)C)cs1 ZINC000105148243 495341029 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C[C@H](COCc1ccccc1)NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000176816660 495796754 /nfs/dbraw/zinc/79/67/54/495796754.db2.gz TWONRKVUVUPQGF-MRXNPFEDSA-N 1 0 373.472 3.292 10 0 FGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCCCOCCc1ccccc1 ZINC000174110770 495823962 /nfs/dbraw/zinc/82/39/62/495823962.db2.gz BIWYYGSDQRNJCJ-LEWJYISDSA-N 1 0 373.541 3.294 10 0 FGAERO CCCCOc1ccc(C(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000176882869 495825488 /nfs/dbraw/zinc/82/54/88/495825488.db2.gz BVQAHEROSBAQMT-QGZVFWFLSA-N 1 0 362.514 3.030 10 0 FGAERO Cc1ccc2c(CC(=O)N(C)CC3CC[NH+](C[C@H](C)O)CC3)coc2c1C ZINC000176887784 495828215 /nfs/dbraw/zinc/82/82/15/495828215.db2.gz SJKUZHZYNQJVQG-INIZCTEOSA-N 1 0 372.509 3.143 10 0 FGAERO CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCCC1CC[NH+](CC)CC1 ZINC000174129518 495831332 /nfs/dbraw/zinc/83/13/32/495831332.db2.gz SFLKOXRBKJTTFB-PXNSSMCTSA-N 1 0 373.541 3.069 10 0 FGAERO CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1)CC(C)C ZINC000151438692 495839780 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10 0 FGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc(NC(=O)C(C)C)ccc1Cl ZINC000176973204 495865021 /nfs/dbraw/zinc/86/50/21/495865021.db2.gz ZBNAPQCJQWGKDM-HNNXBMFYSA-N 1 0 365.905 3.491 10 0 FGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1nn(-c2ccccc2F)c2c1CCC2 ZINC000176988545 495872438 /nfs/dbraw/zinc/87/24/38/495872438.db2.gz OLEJYOYKMGULMV-HNNXBMFYSA-N 1 0 370.472 3.056 10 0 FGAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)N1CC[C@@H](c2c(F)cccc2F)C1 ZINC000186173467 495883462 /nfs/dbraw/zinc/88/34/62/495883462.db2.gz URUMRHRBNYCQJH-VQIMIIECSA-N 1 0 358.432 3.454 10 0 FGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CS[C@@H](C)c1nc2ccccc2[nH]1 ZINC000177017469 495885089 /nfs/dbraw/zinc/88/50/89/495885089.db2.gz LJXLCEAVDPSIFC-LSDHHAIUSA-N 1 0 360.527 3.300 10 0 FGAERO CC[C@H](C)[C@H](O)C[NH2+][C@@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186190121 495890219 /nfs/dbraw/zinc/89/02/19/495890219.db2.gz IJZRLGQSEWUBHV-VUCTXSBTSA-N 1 0 364.287 3.325 10 0 FGAERO Cn1cc([C@H]2CC[N@H+](CCC(=O)Nc3cccc(C(F)(F)F)c3)C2)cn1 ZINC000177081424 495916428 /nfs/dbraw/zinc/91/64/28/495916428.db2.gz KVEDUJANJGZQHO-ZDUSSCGKSA-N 1 0 366.387 3.257 10 0 FGAERO COC(=O)COc1ccccc1[C@@H](C)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000183314833 495927255 /nfs/dbraw/zinc/92/72/55/495927255.db2.gz YZGJTZVGXGVTFR-APWZRJJASA-N 1 0 356.466 3.192 10 0 FGAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CCOc2c(Cl)cccc21 ZINC000171613070 495947627 /nfs/dbraw/zinc/94/76/27/495947627.db2.gz CJBHUSOTAZODIE-MSOLQXFVSA-N 1 0 358.869 3.453 10 0 FGAERO CCN(C(=O)[C@@H](C)[NH+]1CCC(c2nncn2CC)CC1)C1CCCCC1 ZINC000155423658 495952718 /nfs/dbraw/zinc/95/27/18/495952718.db2.gz QVLQXQFZWKGEHK-MRXNPFEDSA-N 1 0 361.534 3.047 10 0 FGAERO CCCN(CCC)C(=O)c1cccc(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000155436784 495956527 /nfs/dbraw/zinc/95/65/27/495956527.db2.gz AXEZHTQAIULFQI-FXAWDEMLSA-N 1 0 373.541 3.407 10 0 FGAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(c3cccc(F)c3)C2)C12CCOCC2 ZINC000186342391 495957510 /nfs/dbraw/zinc/95/75/10/495957510.db2.gz FBNQLXYCJYGXJB-YZGWKJHDSA-N 1 0 362.489 3.358 10 0 FGAERO Cc1cccc(NC[C@@H]2CC[N@H+](CCCOc3ccc4c(c3)OCO4)C2)n1 ZINC000171648487 495968826 /nfs/dbraw/zinc/96/88/26/495968826.db2.gz YNSRILAPINEUGR-KRWDZBQOSA-N 1 0 369.465 3.322 10 0 FGAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2-n2cccn2)C12CCOCC2 ZINC000186386667 495977659 /nfs/dbraw/zinc/97/76/59/495977659.db2.gz VTRLRERGJWDXPF-FFZOFVMBSA-N 1 0 355.482 3.497 10 0 FGAERO CCO[C@@H]1C[C@@H]([NH2+]C2CCN([C@@H](C)c3ccncc3)CC2)C12CCOCC2 ZINC000186428292 495994821 /nfs/dbraw/zinc/99/48/21/495994821.db2.gz ZNCLTHSRNOZLAR-IOMROCGXSA-N 1 0 373.541 3.171 10 0 FGAERO CC(C)(C)Oc1c(F)cc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1F ZINC000183466983 495996971 /nfs/dbraw/zinc/99/69/71/495996971.db2.gz JXYOXUPEYAFVEG-CYBMUJFWSA-N 1 0 353.413 3.454 10 0 FGAERO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)COC(C)(C)O3)C12CCOCC2 ZINC000186455594 496004379 /nfs/dbraw/zinc/00/43/79/496004379.db2.gz QNMMLNBZOQPUCY-RBUKOAKNSA-N 1 0 361.482 3.396 10 0 FGAERO CC(C)CC(=O)N[C@H](C(=O)NC[C@@H]([NH3+])c1ccc(C(C)C)cc1)C(C)C ZINC000152015987 496022609 /nfs/dbraw/zinc/02/26/09/496022609.db2.gz MXOXSWJFFJLAFR-QUCCMNQESA-N 1 0 361.530 3.113 10 0 FGAERO CC[C@H]1CN(C(=O)CCc2ccc(Cl)cc2Cl)CC[N@@H+]1C[C@@H](C)O ZINC000174599642 496027966 /nfs/dbraw/zinc/02/79/66/496027966.db2.gz KPRXZJNYOPJSBC-CJNGLKHVSA-N 1 0 373.324 3.230 10 0 FGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1cccc(NC(=O)C2CCC2)c1 ZINC000177355668 496029368 /nfs/dbraw/zinc/02/93/68/496029368.db2.gz PKCSBIHJKXSOMF-IBGZPJMESA-N 1 0 372.513 3.051 10 0 FGAERO CC[N@@H+]1CCC[C@H](NC(=O)c2cncc(-c3ccc(N(C)C)cc3)c2)C1 ZINC000155675766 496032074 /nfs/dbraw/zinc/03/20/74/496032074.db2.gz FENSILIHPMFGKY-IBGZPJMESA-N 1 0 352.482 3.029 10 0 FGAERO Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000177363926 496032664 /nfs/dbraw/zinc/03/26/64/496032664.db2.gz XZMSDLHFAVQDBE-INIZCTEOSA-N 1 0 361.486 3.252 10 0 FGAERO C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171782358 496035301 /nfs/dbraw/zinc/03/53/01/496035301.db2.gz KYFWTWDTMDRJIM-CZUORRHYSA-N 1 0 355.404 3.126 10 0 FGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CSCc2coc(-c3ccccc3)n2)C1 ZINC000155715229 496045507 /nfs/dbraw/zinc/04/55/07/496045507.db2.gz JDHCUDGRZBLLFK-QAPCUYQASA-N 1 0 373.522 3.420 10 0 FGAERO CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2cc(C)ccc2OC)ncn1 ZINC000180574485 496051358 /nfs/dbraw/zinc/05/13/58/496051358.db2.gz GXEQWTLNCSKPEW-JKSUJKDBSA-N 1 0 355.486 3.155 10 0 FGAERO CN(CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)C(=O)NC1CCCCC1 ZINC000177430523 496059161 /nfs/dbraw/zinc/05/91/61/496059161.db2.gz JGUIYMUQVOVIFY-OAQYLSRUSA-N 1 0 373.541 3.406 10 0 FGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccccc1OC(F)(F)F)CC2 ZINC000180626683 496074845 /nfs/dbraw/zinc/07/48/45/496074845.db2.gz BBNQUZSQAHXJHU-NWDGAFQWSA-N 1 0 354.376 3.405 10 0 FGAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccccc1OC(F)(F)F)CC2 ZINC000180626702 496075000 /nfs/dbraw/zinc/07/50/00/496075000.db2.gz BBNQUZSQAHXJHU-RYUDHWBXSA-N 1 0 354.376 3.405 10 0 FGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1sc(-c3cccnc3)nc1C)CC2 ZINC000180626948 496075179 /nfs/dbraw/zinc/07/51/79/496075179.db2.gz GLMIIYRSRNBGDV-IUODEOHRSA-N 1 0 368.510 3.333 10 0 FGAERO CCOc1ccc(C(F)(F)F)cc1NC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171891822 496079107 /nfs/dbraw/zinc/07/91/07/496079107.db2.gz FGKJVFHIIRPEKW-ZDUSSCGKSA-N 1 0 357.376 3.416 10 0 FGAERO O=C(Nc1ccccc1)c1ccc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000171892057 496079673 /nfs/dbraw/zinc/07/96/73/496079673.db2.gz IKPKJEHWHZXIEI-LJQANCHMSA-N 1 0 364.449 3.251 10 0 FGAERO CC(=O)c1cccc(NC(=O)C[NH2+][C@@H](C)c2cccc(-n3ccnc3)c2)c1 ZINC000180646871 496084355 /nfs/dbraw/zinc/08/43/55/496084355.db2.gz UZUXRKSQHTVWFL-HNNXBMFYSA-N 1 0 362.433 3.364 10 0 FGAERO Cc1cc(NC(=O)C(=O)N[C@@H](CC(C)C)C[NH+](C)C)ccc1C(F)(F)F ZINC000174744348 496086017 /nfs/dbraw/zinc/08/60/17/496086017.db2.gz AXIBDUKSFQXLQQ-AWEZNQCLSA-N 1 0 373.419 3.045 10 0 FGAERO CNc1cc(N2CCC[C@H]2C[NH2+]CC2CCC(C(F)(F)F)CC2)ncn1 ZINC000183702622 496086980 /nfs/dbraw/zinc/08/69/80/496086980.db2.gz AIVOHQFJJYHVDR-NRXISQOPSA-N 1 0 371.451 3.445 10 0 FGAERO C[C@@H]([NH2+]C[C@@H](O)COCc1cccs1)c1cccc(-n2ccnc2)c1 ZINC000180655957 496090208 /nfs/dbraw/zinc/09/02/08/496090208.db2.gz FTYRBVHPQVVYTL-CRAIPNDOSA-N 1 0 357.479 3.162 10 0 FGAERO Cc1cccn2c(=O)cc(C[NH2+][C@@H](C)c3cccc(-n4ccnc4)c3)nc12 ZINC000180658179 496091694 /nfs/dbraw/zinc/09/16/94/496091694.db2.gz PAYNDIKSKVZSRU-INIZCTEOSA-N 1 0 359.433 3.039 10 0 FGAERO OC[C@@H]1CCCC[C@H]1[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000152311512 496113144 /nfs/dbraw/zinc/11/31/44/496113144.db2.gz YIMUQTDLPFWROQ-XJKSGUPXSA-N 1 0 352.272 3.366 10 0 FGAERO C[NH+](C)C[C@H]1CN(C(=O)N[C@@H](c2ccc(F)cc2F)C(C)(C)C)CCO1 ZINC000155943116 496113261 /nfs/dbraw/zinc/11/32/61/496113261.db2.gz NOKSMXCEEPABIA-YOEHRIQHSA-N 1 0 369.456 3.024 10 0 FGAERO CCOCCN1CCN(C(=O)c2ccc(CCC(F)(F)F)cc2)C[C@H]1C ZINC000152370880 496130269 /nfs/dbraw/zinc/13/02/69/496130269.db2.gz HZKLMDYFSCTRNH-OAHLLOKOSA-N 1 0 372.431 3.364 10 0 FGAERO O=C(N[C@H](c1cccc(Cl)c1)c1ccccn1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000177668548 496153126 /nfs/dbraw/zinc/15/31/26/496153126.db2.gz IMFNCKMEXJUJJE-IEBWSBKVSA-N 1 0 370.884 3.314 10 0 FGAERO C[NH+](C)Cc1cc(CNC(=O)N[C@@H]2CCOc3ccccc32)ccc1F ZINC000172077323 496155318 /nfs/dbraw/zinc/15/53/18/496155318.db2.gz KBHSSZGKCOGJDY-GOSISDBHSA-N 1 0 357.429 3.210 10 0 FGAERO COc1ccc(-c2nc(CN3C[C@H]4CCC[N@@H+]4C[C@@H]3C)cs2)cc1OC ZINC000172081585 496158040 /nfs/dbraw/zinc/15/80/40/496158040.db2.gz OUWSZSHKRKDDIB-WMLDXEAASA-N 1 0 373.522 3.496 10 0 FGAERO Fc1cc(Br)cc(CN2CCC[C@@H](Cn3cncn3)C2)c1 ZINC000177716739 496169935 /nfs/dbraw/zinc/16/99/35/496169935.db2.gz SOYCYSQMJRQMAG-GFCCVEGCSA-N 1 0 353.239 3.092 10 0 FGAERO Cc1cc(N2CCC[C@@H]([NH2+]Cc3cc4cc(C)c(C)cc4o3)C2=O)n(C)n1 ZINC000174978915 496191274 /nfs/dbraw/zinc/19/12/74/496191274.db2.gz DNOFMYILZWKQKI-GOSISDBHSA-N 1 0 366.465 3.377 10 0 FGAERO CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(COc3ccc(C)nc3)c2)C1 ZINC000172172844 496194521 /nfs/dbraw/zinc/19/45/21/496194521.db2.gz XFINMRUMJBTPGX-IBGZPJMESA-N 1 0 353.466 3.183 10 0 FGAERO CCOc1c(Cl)cc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2CC)cc1OC ZINC000175008451 496204575 /nfs/dbraw/zinc/20/45/75/496204575.db2.gz HAIACFSWICXWAL-LSDHHAIUSA-N 1 0 366.889 3.446 10 0 FGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(Br)ccc1F ZINC000175009681 496206151 /nfs/dbraw/zinc/20/61/51/496206151.db2.gz UATBXAPWYRLDSR-CHWSQXEVSA-N 1 0 355.251 3.287 10 0 FGAERO CC[C@@H]1CN(C(=O)Nc2ccccc2OCC2CC2)CC[N@@H+]1CCOC ZINC000152649336 496214549 /nfs/dbraw/zinc/21/45/49/496214549.db2.gz RJHNSUBHYMPQHM-QGZVFWFLSA-N 1 0 361.486 3.050 10 0 FGAERO CCOc1ccc(C(=O)CCC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2CC)cc1 ZINC000175039335 496220848 /nfs/dbraw/zinc/22/08/48/496220848.db2.gz OZUCXMADAWYJNL-ZWKOTPCHSA-N 1 0 358.482 3.133 10 0 FGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(C)nc2c1cnn2C(C)C ZINC000175037948 496220935 /nfs/dbraw/zinc/22/09/35/496220935.db2.gz CFXILUMKHUTSHP-JKSUJKDBSA-N 1 0 355.486 3.019 10 0 FGAERO CC[C@@H]1CN(Cc2cc(-c3ccncc3)ccc2OC)CC[N@@H+]1C[C@@H](C)O ZINC000186940692 496221529 /nfs/dbraw/zinc/22/15/29/496221529.db2.gz LRVVQYRORGKUJR-DYESRHJHSA-N 1 0 369.509 3.034 10 0 FGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)Nc1cc(Cl)ccc1Cl ZINC000175044776 496223570 /nfs/dbraw/zinc/22/35/70/496223570.db2.gz YYXWHWTWUIEODO-ZIAGYGMSSA-N 1 0 356.297 3.491 10 0 FGAERO CC(C)(CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1ccc(F)cc1Cl ZINC000172268583 496237115 /nfs/dbraw/zinc/23/71/15/496237115.db2.gz QWRIYLNDELNDDQ-AWEZNQCLSA-N 1 0 353.869 3.246 10 0 FGAERO C[C@H](NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc2ccccc2n1 ZINC000177918452 496251749 /nfs/dbraw/zinc/25/17/49/496251749.db2.gz QNTYGBJAEQCANU-UWJYYQICSA-N 1 0 361.489 3.305 10 0 FGAERO Cc1ccc(NC(=O)N[C@H](C[NH+](C)C)c2ccccc2)cc1C(=O)N(C)C ZINC000177959940 496266185 /nfs/dbraw/zinc/26/61/85/496266185.db2.gz NANVQMFAJOMCML-LJQANCHMSA-N 1 0 368.481 3.121 10 0 FGAERO CCN(CCC[NH2+][C@H](c1ccccc1)c1ccccc1C)S(C)(=O)=O ZINC000175172444 496276682 /nfs/dbraw/zinc/27/66/82/496276682.db2.gz VALFLNNPZYRNAX-HXUWFJFHSA-N 1 0 360.523 3.346 10 0 FGAERO CC[C@H]1CN(C(=O)Nc2ccc(C)c(-c3ncco3)c2)CC[N@@H+]1CCOC ZINC000162122436 496299572 /nfs/dbraw/zinc/29/95/72/496299572.db2.gz PVNWOTBPQJJCNJ-KRWDZBQOSA-N 1 0 372.469 3.225 10 0 FGAERO Cc1nc(C[C@@H]2CCC[N@H+](Cc3cnn(Cc4ccc(F)cc4)c3)C2)no1 ZINC000187132422 496307054 /nfs/dbraw/zinc/30/70/54/496307054.db2.gz GBLGUUARQZHECA-KRWDZBQOSA-N 1 0 369.444 3.217 10 0 FGAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)Nc2cccc(-n3cccc3)c2)CC1 ZINC000181199518 496309829 /nfs/dbraw/zinc/30/98/29/496309829.db2.gz UDXMEIQEHWLUJD-QGZVFWFLSA-N 1 0 370.497 3.034 10 0 FGAERO COc1cc(NC(=O)N2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)ccc1F ZINC000187140477 496310757 /nfs/dbraw/zinc/31/07/57/496310757.db2.gz QEMUEUXFXNWKDL-INIZCTEOSA-N 1 0 372.444 3.215 10 0 FGAERO CC(C)[N@H+]1C[C@H](NC(=O)NCc2ccc(Br)s2)[C@@H](C)C1 ZINC000156784756 496333907 /nfs/dbraw/zinc/33/39/07/496333907.db2.gz KGUCQGXKUPHLOM-JQWIXIFHSA-N 1 0 360.321 3.039 10 0 FGAERO CCCOc1ccccc1NC(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000175311532 496334119 /nfs/dbraw/zinc/33/41/19/496334119.db2.gz LIYYZYCNORTRGP-MRXNPFEDSA-N 1 0 363.502 3.032 10 0 FGAERO CCC[C@H](C(=O)Nc1nc(-c2ccc(NC(C)=O)cc2)cs1)[NH+](C)C ZINC000156794841 496335447 /nfs/dbraw/zinc/33/54/47/496335447.db2.gz MARFRKSRNZXODO-MRXNPFEDSA-N 1 0 360.483 3.437 10 0 FGAERO CC(C)N1C[C@H]([NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)[C@@H](C)C1 ZINC000181284774 496339297 /nfs/dbraw/zinc/33/92/97/496339297.db2.gz UVJSSRNWBLOFJW-KXBFYZLASA-N 1 0 363.933 3.263 10 0 FGAERO CCO[C@@H]1C[C@H](N(C)C(=O)NC2CC[NH+](CC3CC3)CC2)C12CCCC2 ZINC000172607617 496361218 /nfs/dbraw/zinc/36/12/18/496361218.db2.gz HLMZERDCNYJESW-RBUKOAKNSA-N 1 0 363.546 3.240 10 0 FGAERO COC[C@@H](NC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)c1ccco1 ZINC000175397922 496373705 /nfs/dbraw/zinc/37/37/05/496373705.db2.gz CMIYYENXAXOABD-RBUKOAKNSA-N 1 0 371.481 3.321 10 0 FGAERO COC[C@H](NC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)c1ccco1 ZINC000175397944 496374130 /nfs/dbraw/zinc/37/41/30/496374130.db2.gz CMIYYENXAXOABD-MOPGFXCFSA-N 1 0 371.481 3.321 10 0 FGAERO COc1ccc(C[C@H](C)C[NH2+][C@@H]2CCc3nc(C(C)C)nn3C2)cc1F ZINC000187296071 496381376 /nfs/dbraw/zinc/38/13/76/496381376.db2.gz ZDLIMZAJDLTDKR-GOEBONIOSA-N 1 0 360.477 3.332 10 0 FGAERO CCCC(=O)N[C@H]1CCCN(C(=O)c2ccc(C[N@H+](CC)C(C)C)cc2)C1 ZINC000157041083 496392619 /nfs/dbraw/zinc/39/26/19/496392619.db2.gz LYKMSQLTKNVAKK-FQEVSTJZSA-N 1 0 373.541 3.438 10 0 FGAERO COC(=O)c1cc2cc(C[N@@H+]3CCC[C@@H]3Cn3ccnc3C)ccc2o1 ZINC000178288276 496400422 /nfs/dbraw/zinc/40/04/22/496400422.db2.gz RCKJLBUIFOCYIY-QGZVFWFLSA-N 1 0 353.422 3.389 10 0 FGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1cnn(-c2ccccc2F)c1C ZINC000157219236 496431782 /nfs/dbraw/zinc/43/17/82/496431782.db2.gz DOLZFDFSTNLKAN-OAHLLOKOSA-N 1 0 359.449 3.268 10 0 FGAERO C[C@@H](CCSc1ccccc1)[N@@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000153424368 496450907 /nfs/dbraw/zinc/45/09/07/496450907.db2.gz MGQSIPOQYHLOPY-SFHVURJKSA-N 1 0 358.555 3.499 10 0 FGAERO O[C@@H](CN[C@@H](c1ccccc1)c1ccccn1)C[N@@H+]1CCc2ccccc2C1 ZINC000157336123 496455851 /nfs/dbraw/zinc/45/58/51/496455851.db2.gz QSYBIEYKJLXONZ-UPVQGACJSA-N 1 0 373.500 3.180 10 0 FGAERO CC[C@@H](NC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1)c1ccc(C)cc1 ZINC000184719050 496506971 /nfs/dbraw/zinc/50/69/71/496506971.db2.gz YLGHDAUHOAFTBJ-FXAWDEMLSA-N 1 0 361.530 3.180 10 0 FGAERO C[C@H](NC(=O)[C@H](C)N1CC[N@@H+]2CCC[C@@H]2C1)c1cccc2ccccc21 ZINC000178624935 496519878 /nfs/dbraw/zinc/51/98/78/496519878.db2.gz RCPIEOUFKGBSJN-JENIJYKNSA-N 1 0 351.494 3.186 10 0 FGAERO CCn1cnnc1C1CC[NH+](C[C@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000178643825 496528466 /nfs/dbraw/zinc/52/84/66/496528466.db2.gz UJSVYMYIQMYUSN-INIZCTEOSA-N 1 0 368.403 3.230 10 0 FGAERO C[C@@H]1CC[C@@H](C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)O1 ZINC000153830741 496593666 /nfs/dbraw/zinc/59/36/66/496593666.db2.gz PNBPPFPPYKESDH-NQIIRXRSSA-N 1 0 358.526 3.405 10 0 FGAERO CC(C)c1c(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cnn1-c1cccc(Cl)c1 ZINC000184984816 496610595 /nfs/dbraw/zinc/61/05/95/496610595.db2.gz IDVFSOXNNZXVRW-VHSSKADRSA-N 1 0 372.900 3.458 10 0 FGAERO CNC(=O)[C@H](NC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1)C(C)C ZINC000178904495 496611704 /nfs/dbraw/zinc/61/17/04/496611704.db2.gz QGRIEWHQVUKEPA-LJQANCHMSA-N 1 0 374.529 3.343 10 0 FGAERO C[N@H+](C1CCN(CCn2cccn2)CC1)[C@@H]1CCCc2ccc(F)cc21 ZINC000178913744 496614309 /nfs/dbraw/zinc/61/43/09/496614309.db2.gz IXZAVMOQQJIGIO-OAQYLSRUSA-N 1 0 356.489 3.496 10 0 FGAERO Cc1csc([C@H]2CCCN(C(=O)NCC[NH+](C(C)C)C(C)C)C2)n1 ZINC000173327328 496644808 /nfs/dbraw/zinc/64/48/08/496644808.db2.gz CBSDDEMTVDFTNM-INIZCTEOSA-N 1 0 352.548 3.459 10 0 FGAERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)CCCOc3ccc(Cl)cc3Cl)C[C@@H]12 ZINC000185091269 496655669 /nfs/dbraw/zinc/65/56/69/496655669.db2.gz UCKLJLQKIOEFII-NJZAAPMLSA-N 1 0 357.281 3.348 10 0 FGAERO COC(=O)c1cc2cc(C[N@H+]3C[C@@H](c4ccsc4)[C@H](CO)C3)ccc2o1 ZINC000188055961 496665747 /nfs/dbraw/zinc/66/57/47/496665747.db2.gz XFKGXNGEQTWNDM-IRXDYDNUSA-N 1 0 371.458 3.489 10 0 FGAERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)CCc1nnc(C2CCCC2)o1 ZINC000182093941 496668444 /nfs/dbraw/zinc/66/84/44/496668444.db2.gz TXVVZYLAECNEPZ-INIZCTEOSA-N 1 0 370.497 3.297 10 0 FGAERO CC(C)c1cc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)nn1-c1ccccc1 ZINC000158300060 496670443 /nfs/dbraw/zinc/67/04/43/496670443.db2.gz OGIIRYOTTWTTII-FUHWJXTLSA-N 1 0 352.482 3.304 10 0 FGAERO CCN1CC[NH+](C[C@@H](C)CNC(=O)N[C@@H](C)c2ccc(C(C)C)cc2)CC1 ZINC000173399737 496674772 /nfs/dbraw/zinc/67/47/72/496674772.db2.gz REEPZOSCHDARRC-OALUTQOASA-N 1 0 374.573 3.444 10 0 FGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cncc(-c2ccc3c(c2)CCO3)c1 ZINC000154132988 496692077 /nfs/dbraw/zinc/69/20/77/496692077.db2.gz UQFZFOOJACBGFQ-HXUWFJFHSA-N 1 0 365.477 3.240 10 0 FGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H](c1nc2ccccc2[nH]1)C(C)C ZINC000176142016 496700996 /nfs/dbraw/zinc/70/09/96/496700996.db2.gz QDKSJTNWOUZXBK-CRAIPNDOSA-N 1 0 357.502 3.386 10 0 FGAERO Cc1sc(NC(=O)CN2C[C@@H](c3ccsc3)[C@H](CO)C2)c(C)c1C ZINC000188160853 496704920 /nfs/dbraw/zinc/70/49/20/496704920.db2.gz CDVFJCTVVFMPPI-HOTGVXAUSA-N 1 0 364.536 3.381 10 0 FGAERO COc1ccc(C[C@@H](C)C[N@H+](C)[C@@H]2CCCN(c3cccnn3)C2)cc1F ZINC000185246781 496716231 /nfs/dbraw/zinc/71/62/31/496716231.db2.gz RNRRDAITMDJBNP-SJLPKXTDSA-N 1 0 372.488 3.404 10 0 FGAERO Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3cnc4ccsc4c3)C2=O)n(C)n1 ZINC000182352450 496731031 /nfs/dbraw/zinc/73/10/31/496731031.db2.gz BCJPVWHIJFDZJE-CZUORRHYSA-N 1 0 369.494 3.184 10 0 FGAERO C[C@@H](NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1cccs1 ZINC000182353020 496731035 /nfs/dbraw/zinc/73/10/35/496731035.db2.gz ZJBVVRBLQNSLBW-CRAIPNDOSA-N 1 0 373.522 3.265 10 0 FGAERO Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3ccc4ccccc4n3)C2=O)n(C)n1 ZINC000182358494 496731481 /nfs/dbraw/zinc/73/14/81/496731481.db2.gz QULQNAGKGZSRBK-HNAYVOBHSA-N 1 0 363.465 3.123 10 0 FGAERO Cc1csc([C@@H]2CCCN(C(=O)N[C@@H]3CCC[C@@H]([NH+](C)C)C3)C2)n1 ZINC000246982343 496741722 /nfs/dbraw/zinc/74/17/22/496741722.db2.gz JSRPZVOGLOZEHB-BZUAXINKSA-N 1 0 350.532 3.213 10 0 FGAERO O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000246992562 496745991 /nfs/dbraw/zinc/74/59/91/496745991.db2.gz JLKDIUSQOXVQEF-RZUBCFFCSA-N 1 0 356.510 3.052 10 0 FGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccnc(OCc2ccccc2)c1 ZINC000247000950 496748488 /nfs/dbraw/zinc/74/84/88/496748488.db2.gz QERDKQDCPZUCHM-PMACEKPBSA-N 1 0 365.477 3.359 10 0 FGAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)C[C@@H]2C[C@@H](C)CC(C)(C)C2)CC1 ZINC000247044305 496761816 /nfs/dbraw/zinc/76/18/16/496761816.db2.gz SXWCPJUAOBHLPZ-AOIWGVFYSA-N 1 0 352.563 3.390 10 0 FGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000247074089 496770785 /nfs/dbraw/zinc/77/07/85/496770785.db2.gz HQFIBTCXEWIYRY-WFASDCNBSA-N 1 0 366.387 3.424 10 0 FGAERO CC[C@@H]1CN(C(=O)N[C@H](C)c2oc3ccccc3c2C)CC[N@@H+]1C[C@@H](C)O ZINC000191501510 496785992 /nfs/dbraw/zinc/78/59/92/496785992.db2.gz YZJCTDMGVSGRLK-DJIMGWMZSA-N 1 0 373.497 3.289 10 0 FGAERO CCN(C)c1ccc(C[N@@H+]2CC[C@H](CN(C)Cc3scnc3C)C2)cn1 ZINC000191537581 496802496 /nfs/dbraw/zinc/80/24/96/496802496.db2.gz VHOMJZUYYSQXKH-GOSISDBHSA-N 1 0 373.570 3.257 10 0 FGAERO CCN(CCC[NH+](C)C)C(=O)N[C@H](C)c1ccccc1Br ZINC000188475039 496802566 /nfs/dbraw/zinc/80/25/66/496802566.db2.gz XYQQYLNOBAOGTG-CYBMUJFWSA-N 1 0 356.308 3.493 10 0 FGAERO COCCOc1ccc([C@H](C)[NH2+][C@@H]2CN(C(C)C)C[C@@H]2C)cc1OC ZINC000247236181 496811871 /nfs/dbraw/zinc/81/18/71/496811871.db2.gz YOYMNTVMZVNSLZ-XYJFISCASA-N 1 0 350.503 3.100 10 0 FGAERO COCC[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc3ccccc3c2)CC1 ZINC000195137776 496831095 /nfs/dbraw/zinc/83/10/95/496831095.db2.gz CHYXUJCHIUDURT-INIZCTEOSA-N 1 0 355.482 3.311 10 0 FGAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCc2ccccc2OCC(F)(F)F)C1 ZINC000247406529 496851841 /nfs/dbraw/zinc/85/18/41/496851841.db2.gz RKCNVYXJSYSXCJ-DZGCQCFKSA-N 1 0 373.419 3.156 10 0 FGAERO COc1ccc(-c2ncc(C(=O)N[C@@H]3C[N@@H+](C(C)C)C[C@H]3C)s2)cc1 ZINC000247406415 496852465 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Cc1nn(C)c(C)c1CNC(=O)c1cccc2[nH]cc(C[NH+]3CCCC3)c21 ZINC000075483540 205574868 /nfs/dbraw/zinc/57/48/68/205574868.db2.gz XOKIVHHPWSRIQS-UHFFFAOYSA-N 1 0 365.481 3.044 10 0 FGAERO CCN(Cc1cc(Br)c(Br)o1)[C@@H]1CCC[NH2+]C1 ZINC000104366701 206000035 /nfs/dbraw/zinc/00/00/35/206000035.db2.gz LOXANRDCUCBXQN-SECBINFHSA-N 1 0 366.097 3.379 10 0 FGAERO COc1ccccc1[C@@H](C[NH3+])Oc1ccc(I)cc1 ZINC000043100086 206018217 /nfs/dbraw/zinc/01/82/17/206018217.db2.gz GENUXPFFJQKJSV-OAHLLOKOSA-N 1 0 369.202 3.379 10 0 FGAERO O[C@H]1CCCC[C@H]1[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000051995650 206157704 /nfs/dbraw/zinc/15/77/04/206157704.db2.gz PQYHSXRKMBFDLX-KGLIPLIRSA-N 1 0 356.260 3.004 10 0 FGAERO C/C=C(\C)C[N@H+]1CCOc2ccc(CN3CCCC[C@H]3C(=O)OC)cc2C1 ZINC000014994098 206314227 /nfs/dbraw/zinc/31/42/27/206314227.db2.gz YSOSCPZIGRWHAB-FKBPCVKNSA-N 1 0 372.509 3.375 10 0 FGAERO [NH3+]C[C@H]1CCCCN1CC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000044559060 257340887 /nfs/dbraw/zinc/34/08/87/257340887.db2.gz BZOGDYUVLJKAOO-SECBINFHSA-N 1 0 350.677 3.399 10 0 FGAERO COc1ccc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1-c1ccccn1 ZINC000122514954 257352055 /nfs/dbraw/zinc/35/20/55/257352055.db2.gz GHBOFCAKMJANHB-DOTOQJQBSA-N 1 0 351.450 3.066 10 0 FGAERO CCO[C@@H]1C[C@H]([NH2+][C@H](COC)c2ccc(F)c(F)c2)C12CCOCC2 ZINC000249047254 257371177 /nfs/dbraw/zinc/37/11/77/257371177.db2.gz WDRFKTAQYRZDSK-FGTMMUONSA-N 1 0 355.425 3.216 10 0 FGAERO COc1ccc2c(cc(C(=O)NC[C@H]3CCC[N@@H+]4CCCC[C@@H]34)n2C)c1 ZINC000504529057 263745776 /nfs/dbraw/zinc/74/57/76/263745776.db2.gz KKSRFCOQBCWLBE-BEFAXECRSA-N 1 0 355.482 3.181 10 0 FGAERO CC(=O)Nc1cc(NC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)ccc1C ZINC000048364800 493820749 /nfs/dbraw/zinc/82/07/49/493820749.db2.gz KLAFEEAUEFCCFK-IBGZPJMESA-N 1 0 354.454 3.378 10 0 FGAERO CC(C)[NH+](CCNC(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1)C(C)C ZINC000076470753 493898382 /nfs/dbraw/zinc/89/83/82/493898382.db2.gz OCWIHDIBHSLCBJ-KRWDZBQOSA-N 1 0 357.502 3.351 10 0 FGAERO O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)c1cccc2c1OCCO2 ZINC000060159287 493916881 /nfs/dbraw/zinc/91/68/81/493916881.db2.gz KTHKXVWMGJBIBE-GOSISDBHSA-N 1 0 366.461 3.242 10 0 FGAERO CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000076708203 493955778 /nfs/dbraw/zinc/95/57/78/493955778.db2.gz TWJVSKSHNXVGEC-FQEVSTJZSA-N 1 0 351.450 3.039 10 0 FGAERO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(F)c(F)c2)c(OC)c1 ZINC000008248303 494078288 /nfs/dbraw/zinc/07/82/88/494078288.db2.gz GECVCCMJTMFKLN-NSHDSACASA-N 1 0 350.365 3.271 10 0 FGAERO CCCn1ccc2cc(NC(=O)C(=O)N[C@H](CC(C)C)C[NH+](C)C)ccc21 ZINC000077726260 494159135 /nfs/dbraw/zinc/15/91/35/494159135.db2.gz NAZVSUBFQSTKCF-GOSISDBHSA-N 1 0 372.513 3.082 10 0 FGAERO Cc1ccc(C[N@@H+]2CCC[C@@H](n3cc(C(=O)NC4CCCC4)nn3)C2)cc1 ZINC000012572534 494243393 /nfs/dbraw/zinc/24/33/93/494243393.db2.gz HHONCIKHUAEUKV-LJQANCHMSA-N 1 0 367.497 3.096 10 0 FGAERO Cc1ccc([C@H](C)NC(=O)N2CCC(OCCC[NH+](C)C)CC2)cc1F ZINC000088785608 494263044 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/nfs/dbraw/zinc/43/04/28/495430428.db2.gz MPDPGKMCXIGGJU-UHFFFAOYSA-N 1 0 359.477 3.011 10 0 FGAERO CCc1nccn1[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(C)cc2C)C1 ZINC000106212033 495433568 /nfs/dbraw/zinc/43/35/68/495433568.db2.gz LKQDGPLBFGFZQP-MOPGFXCFSA-N 1 0 357.498 3.139 10 0 FGAERO CCO[C@H](C)c1nc(CN2CCC[C@H](Cn3nc(C)nc3C)C2)cs1 ZINC000120725736 495444209 /nfs/dbraw/zinc/44/42/09/495444209.db2.gz ZAUSDKDYABEHKJ-CJNGLKHVSA-N 1 0 363.531 3.361 10 0 FGAERO CC(C)c1nc2c(n1C)CC[N@H+](CCC(=O)NCc1ccccc1Cl)C2 ZINC000106387354 495450262 /nfs/dbraw/zinc/45/02/62/495450262.db2.gz MXYVJQCUTXQZAH-UHFFFAOYSA-N 1 0 374.916 3.262 10 0 FGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC[C@@H](c1ccccc1)C(C)(C)CO ZINC000120756507 495451476 /nfs/dbraw/zinc/45/14/76/495451476.db2.gz ILYVYYFGUFIZBZ-OALUTQOASA-N 1 0 363.546 3.064 10 0 FGAERO COCC[N@@H+]1CCN(CC2=Cc3cc(Cl)cc(Cl)c3OC2)C[C@@H]1C ZINC000120791090 495458537 /nfs/dbraw/zinc/45/85/37/495458537.db2.gz OIEQMZSKFJHIFW-ZDUSSCGKSA-N 1 0 371.308 3.422 10 0 FGAERO O=C(NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1)c1cccc(F)c1 ZINC000115157638 495468194 /nfs/dbraw/zinc/46/81/94/495468194.db2.gz CKHPMWBWAGPVSN-FQEVSTJZSA-N 1 0 356.441 3.001 10 0 FGAERO Cn1nccc1C1CC[NH+](Cc2ccc(OC[C@H]3CCCO3)cc2)CC1 ZINC000120922534 495485967 /nfs/dbraw/zinc/48/59/67/495485967.db2.gz YFFFSVZEDLUBKS-HXUWFJFHSA-N 1 0 355.482 3.358 10 0 FGAERO CC(C)(C)Cc1nc(-c2cccc(C(=O)N3CCCC[C@H]3C[NH3+])c2)no1 ZINC000131059433 495486574 /nfs/dbraw/zinc/48/65/74/495486574.db2.gz NAKNVDFMWIROOV-INIZCTEOSA-N 1 0 356.470 3.279 10 0 FGAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)c1noc(-c2ccccc2)n1 ZINC000131135767 495497158 /nfs/dbraw/zinc/49/71/58/495497158.db2.gz KDEDRMIFWISBGB-DOTOQJQBSA-N 1 0 371.485 3.217 10 0 FGAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCc1ccnc(OC2CCCC2)c1 ZINC000106906279 495509077 /nfs/dbraw/zinc/50/90/77/495509077.db2.gz AKFRIGKHSPUYFB-FQEVSTJZSA-N 1 0 367.493 3.192 10 0 FGAERO Cc1csc([C@H]2CCCN(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)C2)n1 ZINC000121036680 495509554 /nfs/dbraw/zinc/50/95/54/495509554.db2.gz DZNVKPPJUWYQOK-CABCVRRESA-N 1 0 352.548 3.317 10 0 FGAERO COc1cc(C)c([C@@H](C)NC(=O)[C@H](Cc2ccccc2)[NH+](C)C)cc1OC ZINC000106907226 495510166 /nfs/dbraw/zinc/51/01/66/495510166.db2.gz ADSMYBFXGRRHLN-APWZRJJASA-N 1 0 370.493 3.362 10 0 FGAERO C[C@@H]1CN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C[C@@H](c2ccccc2)O1 ZINC000106911171 495511289 /nfs/dbraw/zinc/51/12/89/495511289.db2.gz MVVPGUONFQEDNJ-UIFIKXQLSA-N 1 0 352.478 3.148 10 0 FGAERO Cc1cnn([C@H]2CCC[N@@H+]([C@@H]3CCCN(c4cccc(F)c4)C3=O)C2)c1 ZINC000115543134 495513948 /nfs/dbraw/zinc/51/39/48/495513948.db2.gz JJTACBRHXWATCN-RBUKOAKNSA-N 1 0 356.445 3.163 10 0 FGAERO Cc1csc(NC(=O)NCC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)n1 ZINC000115632226 495521591 /nfs/dbraw/zinc/52/15/91/495521591.db2.gz PVXQBCOWRFKEKV-QGZVFWFLSA-N 1 0 374.510 3.019 10 0 FGAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@H](Oc2ccc(F)c(F)c2)c2ccccc2)C1 ZINC000107246920 495524208 /nfs/dbraw/zinc/52/42/08/495524208.db2.gz USVHOEFSFUGESF-DNVCBOLYSA-N 1 0 360.404 3.247 10 0 FGAERO CCn1cnnc1C1CC[NH+](Cc2cc(=O)oc3c(C)c(C)ccc23)CC1 ZINC000107305651 495525113 /nfs/dbraw/zinc/52/51/13/495525113.db2.gz PEQAOIWNOTXSKC-UHFFFAOYSA-N 1 0 366.465 3.401 10 0 FGAERO C[C@@H](NCC1(C[NH2+][C@@H](C)c2cccc(O)c2)COC1)c1cccc(O)c1 ZINC000182432112 495561385 /nfs/dbraw/zinc/56/13/85/495561385.db2.gz UDGMEKLHIIZWOK-IYBDPMFKSA-N 1 0 356.466 3.116 10 0 FGAERO COc1ccc(-c2ccc(CNC(=O)NC[C@H]3CCC[N@@H+]3C)s2)cc1 ZINC000176272584 495573470 /nfs/dbraw/zinc/57/34/70/495573470.db2.gz XZCAFRUWRYHCJL-OAHLLOKOSA-N 1 0 359.495 3.317 10 0 FGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000176285132 495579042 /nfs/dbraw/zinc/57/90/42/495579042.db2.gz PKAZTJJPBJBHSW-QGZVFWFLSA-N 1 0 370.453 3.480 10 0 FGAERO CCN(CC)C(=O)c1ccccc1NC(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000176324771 495601544 /nfs/dbraw/zinc/60/15/44/495601544.db2.gz ZNEROVZCNUJOBW-MRXNPFEDSA-N 1 0 360.502 3.117 10 0 FGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000182531537 495601790 /nfs/dbraw/zinc/60/17/90/495601790.db2.gz TULKZSXFOYHENA-GXSJLCMTSA-N 1 0 374.229 3.428 10 0 FGAERO COC(=O)C1CCC(C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC000179493735 495612961 /nfs/dbraw/zinc/61/29/61/495612961.db2.gz DEYPVWJQDSGLIA-ZLPCBKJTSA-N 1 0 360.498 3.211 10 0 FGAERO C[NH+](C)[C@H]1CCN(C(=O)NCc2ccc(OCc3cccc(F)c3)cc2)C1 ZINC000170828806 495618231 /nfs/dbraw/zinc/61/82/31/495618231.db2.gz JNYBRTGHLDPIIR-IBGZPJMESA-N 1 0 371.456 3.250 10 0 FGAERO C[NH+](C)[C@@H]1CCN(C(=O)NC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000170833794 495619805 /nfs/dbraw/zinc/61/98/05/495619805.db2.gz WPIUUIBJDFVSHD-GOSISDBHSA-N 1 0 359.420 3.400 10 0 FGAERO Cc1csc([C@H]2CCCN(C(=O)NC[C@@H]3CC[N@@H+](CC(C)C)C3)C2)n1 ZINC000150757721 495623812 /nfs/dbraw/zinc/62/38/12/495623812.db2.gz ISSHVSNQSNOLKY-IRXDYDNUSA-N 1 0 364.559 3.318 10 0 FGAERO CCC[C@H](C(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)[NH+](C)C ZINC000179520664 495626117 /nfs/dbraw/zinc/62/61/17/495626117.db2.gz XDRLHJDABZSOOK-GFCCVEGCSA-N 1 0 356.348 3.424 10 0 FGAERO C[NH+](C)[C@@H]1CCN(C(=O)c2cccc(-n3nccc3-c3ccccc3)c2)C1 ZINC000170855065 495628809 /nfs/dbraw/zinc/62/88/09/495628809.db2.gz OWFPTMNGTXSXKZ-HXUWFJFHSA-N 1 0 360.461 3.315 10 0 FGAERO C[NH+](C)[C@H]1CCN(C(=O)c2c3c(sc2-n2cccc2)CSCC3)C1 ZINC000170857655 495630110 /nfs/dbraw/zinc/63/01/10/495630110.db2.gz PGIVLVHIRSTPLS-ZDUSSCGKSA-N 1 0 361.536 3.104 10 0 FGAERO C[NH+](C)[C@@H]1CCN(C(=O)COc2cc(Cl)c(Cl)cc2Cl)C1 ZINC000170863134 495632135 /nfs/dbraw/zinc/63/21/35/495632135.db2.gz NHLGLEOAMCZNII-SECBINFHSA-N 1 0 351.661 3.188 10 0 FGAERO C[NH+](C)[C@H]1CCN(C(=O)c2cccnc2SCc2ccc(F)cc2)C1 ZINC000170866083 495632808 /nfs/dbraw/zinc/63/28/08/495632808.db2.gz RNXKXVMMFQUDLJ-INIZCTEOSA-N 1 0 359.470 3.289 10 0 FGAERO CCOc1cc(CN2CC[N@@H+]3CCC[C@@H]3C2)ccc1OCC(F)(F)F ZINC000179548708 495636663 /nfs/dbraw/zinc/63/66/63/495636663.db2.gz UJORWFQKKDCBAL-OAHLLOKOSA-N 1 0 358.404 3.306 10 0 FGAERO CC(C)Sc1ccc(C(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000176448664 495654436 /nfs/dbraw/zinc/65/44/36/495654436.db2.gz FLYSLTQKPBXMFM-INIZCTEOSA-N 1 0 364.555 3.352 10 0 FGAERO CCO[C@@H]1C[C@H]([NH2+]Cc2nc3cc(Cl)ccc3n2C)C12CCOCC2 ZINC000185650963 495661209 /nfs/dbraw/zinc/66/12/09/495661209.db2.gz LXUYJXIRUKPBQS-DLBZAZTESA-N 1 0 363.889 3.291 10 0 FGAERO Cc1ccc(NC(=O)N2CCC[C@@H]2c2cnn(C)c2)c(OCC[NH+](C)C)c1 ZINC000154602621 495669233 /nfs/dbraw/zinc/66/92/33/495669233.db2.gz MULBEVFNDPFRJF-GOSISDBHSA-N 1 0 371.485 3.038 10 0 FGAERO CC(C)CNC(=O)c1cccc(C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)c1 ZINC000171057813 495706939 /nfs/dbraw/zinc/70/69/39/495706939.db2.gz LNRCRVITVKQVMD-IBGZPJMESA-N 1 0 366.509 3.401 10 0 FGAERO CCn1cnnc1[C@H]1CCC[N@H+](Cc2cccc(C(=O)NCC(C)C)c2)C1 ZINC000171058007 495707014 /nfs/dbraw/zinc/70/70/14/495707014.db2.gz PJEAWVPDBDLDHI-IBGZPJMESA-N 1 0 369.513 3.063 10 0 FGAERO C[C@@H]([NH2+]CC(=O)NCCc1ccc(OC(F)F)cc1)c1cccs1 ZINC000171112481 495729883 /nfs/dbraw/zinc/72/98/83/495729883.db2.gz LQKHWQNEVNXGBT-GFCCVEGCSA-N 1 0 354.422 3.359 10 0 FGAERO Cc1cc(C)cc(OC[C@@H](O)C[N@@H+]2CC[C@@H](CNc3cccc(C)n3)C2)c1 ZINC000151110542 495740467 /nfs/dbraw/zinc/74/04/67/495740467.db2.gz FLAJYYPFSLUCMW-PMACEKPBSA-N 1 0 369.509 3.181 10 0 FGAERO CCN(Cc1ccccc1)C(=O)[C@H](C)[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000151108630 495740590 /nfs/dbraw/zinc/74/05/90/495740590.db2.gz OGZKIRVLVNATKJ-AZUAARDMSA-N 1 0 366.509 3.253 10 0 FGAERO COc1ccc(Br)c(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000179815180 495746596 /nfs/dbraw/zinc/74/65/96/495746596.db2.gz YZMSJXGOBGJXPW-VXGBXAGGSA-N 1 0 368.275 3.158 10 0 FGAERO CCOCc1cc(C[N@@H+]2CCC[C@@H](Cc3noc(C)n3)C2)ccc1OC ZINC000179859460 495761043 /nfs/dbraw/zinc/76/10/43/495761043.db2.gz VEJUEYURCMEWRQ-INIZCTEOSA-N 1 0 359.470 3.378 10 0 FGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000173999177 495782605 /nfs/dbraw/zinc/78/26/05/495782605.db2.gz QPHHFOCLKSDDAC-WMZOPIPTSA-N 1 0 357.502 3.209 10 0 FGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cc(F)c(Br)cc1F ZINC000179928989 495787407 /nfs/dbraw/zinc/78/74/07/495787407.db2.gz CIQRMPVPIPIQML-NXEZZACHSA-N 1 0 374.229 3.428 10 0 FGAERO CC[C@@H]1CN(C(=O)Nc2ccccc2CC(F)(F)F)CC[N@@H+]1CCOC ZINC000174013622 495788187 /nfs/dbraw/zinc/78/81/87/495788187.db2.gz YQAUTRNFVPTLFN-OAHLLOKOSA-N 1 0 373.419 3.366 10 0 FGAERO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CCCOCC(F)(F)F)C[C@H]12 ZINC000186002579 495816567 /nfs/dbraw/zinc/81/65/67/495816567.db2.gz CCFQONOZXGADQT-HZSPNIEDSA-N 1 0 366.424 3.191 10 0 FGAERO Cc1nccn1C[C@H]1CCC[N@@H+]1C[C@H](O)c1ccccc1Br ZINC000155050576 495818112 /nfs/dbraw/zinc/81/81/12/495818112.db2.gz HSBGWQPRYUOOTK-PBHICJAKSA-N 1 0 364.287 3.152 10 0 FGAERO CCCCOc1ccc(C(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000176882889 495825737 /nfs/dbraw/zinc/82/57/37/495825737.db2.gz BVQAHEROSBAQMT-KRWDZBQOSA-N 1 0 362.514 3.030 10 0 FGAERO C[C@H](COCc1ccccc1)NC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000174140813 495835326 /nfs/dbraw/zinc/83/53/26/495835326.db2.gz AQHWCOBEHBMJIC-XLIONFOSSA-N 1 0 355.482 3.194 10 0 FGAERO C[C@H](COCc1ccccc1)NC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000174140838 495835861 /nfs/dbraw/zinc/83/58/61/495835861.db2.gz AQHWCOBEHBMJIC-YLJYHZDGSA-N 1 0 355.482 3.194 10 0 FGAERO CC1CC[NH+](C[C@@H]2CCCN(C(=O)N[C@H]3COc4ccccc43)C2)CC1 ZINC000171360649 495837597 /nfs/dbraw/zinc/83/75/97/495837597.db2.gz JQIZVMPLBLQGEL-HKUYNNGSSA-N 1 0 357.498 3.274 10 0 FGAERO C[NH+](C)[C@@H]1CCN(C(=O)c2cc(-c3cccs3)n(-c3ccccc3)n2)C1 ZINC000151432476 495837689 /nfs/dbraw/zinc/83/76/89/495837689.db2.gz YDBIKVRZZAQXGX-MRXNPFEDSA-N 1 0 366.490 3.377 10 0 FGAERO CCOCCC[NH2+][C@@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186071545 495845508 /nfs/dbraw/zinc/84/55/08/495845508.db2.gz HKERABKUEKBCEJ-INIZCTEOSA-N 1 0 350.260 3.345 10 0 FGAERO C[N@@H+]1CCC[C@H]1CN[C@@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186131955 495867090 /nfs/dbraw/zinc/86/70/90/495867090.db2.gz HYQOKHILVDABBK-IRXDYDNUSA-N 1 0 361.287 3.012 10 0 FGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc2ccc(Br)cc2[nH]1 ZINC000176987044 495872888 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C[C@@H](COCc1ccccc1)NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000173338278 496648975 /nfs/dbraw/zinc/64/89/75/496648975.db2.gz HTPBPBVSOSQKSM-ICSRJNTNSA-N 1 0 359.514 3.252 10 0 FGAERO Cc1noc(C)c1CSCC(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000182071587 496658478 /nfs/dbraw/zinc/65/84/78/496658478.db2.gz SYVOOFKBAKAOMR-AWEZNQCLSA-N 1 0 361.511 3.161 10 0 FGAERO CC(C)[NH+]1CCC(NC(=O)N2CCC[C@H]2C[C@@H](O)c2ccccc2)CC1 ZINC000173378990 496666121 /nfs/dbraw/zinc/66/61/21/496666121.db2.gz JTFRZOWKJGAYTD-VQTJNVASSA-N 1 0 359.514 3.157 10 0 FGAERO Cc1c(O)ccc2c(C[N@H+]3C[C@@H](c4ccsc4)[C@H](CO)C3)cc(=O)oc12 ZINC000188077983 496674688 /nfs/dbraw/zinc/67/46/88/496674688.db2.gz DCXBUWBRRDIIBE-RDJZCZTQSA-N 1 0 371.458 3.076 10 0 FGAERO OC[C@H]1C[C@@H](O)C[N@@H+]1CCCC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000185135411 496676633 /nfs/dbraw/zinc/67/66/33/496676633.db2.gz LWUSGXPAKRYMDG-WOJBJXKFSA-N 1 0 361.432 3.304 10 0 FGAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)NCC2(C)CCCCCC2)CC1 ZINC000182147926 496687657 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NDDKPRMHFIJVRI-MLHJIOFPSA-N 1 0 372.513 3.001 10 0 FGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NCc1sccc1Br ZINC000195205017 496848611 /nfs/dbraw/zinc/84/86/11/496848611.db2.gz IUEQACKWHJRUPU-LLVKDONJSA-N 1 0 362.337 3.286 10 0 FGAERO CCOCc1cc(CN2CCO[C@H](c3cnn(CC)c3)C2)ccc1OC ZINC000191706292 496860225 /nfs/dbraw/zinc/86/02/25/496860225.db2.gz YERKZEJKMGEBLJ-FQEVSTJZSA-N 1 0 359.470 3.022 10 0 FGAERO CC(=O)Nc1cccc(C[N@H+]2CC[C@@H](CN(C)Cc3scnc3C)C2)c1 ZINC000195255419 496863796 /nfs/dbraw/zinc/86/37/96/496863796.db2.gz VLCOFVVAEDXZOV-SFHVURJKSA-N 1 0 372.538 3.364 10 0 FGAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2C(=O)c2cccs2)C1 ZINC000247468933 496865291 /nfs/dbraw/zinc/86/52/91/496865291.db2.gz VAZCFQBCJOJBOP-RHSMWYFYSA-N 1 0 356.491 3.438 10 0 FGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cc1csc(Cc2ccc(F)cc2)n1 ZINC000247469462 496866130 /nfs/dbraw/zinc/86/61/30/496866130.db2.gz RNBFCVJLUFZNQL-KSSFIOAISA-N 1 0 373.497 3.111 10 0 FGAERO Cc1nc(CCC(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)oc1-c1ccccc1 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ZINC000195512658 496948268 /nfs/dbraw/zinc/94/82/68/496948268.db2.gz OXHJFIDDHVARQY-QGZVFWFLSA-N 1 0 363.889 3.176 10 0 FGAERO Cc1cc(-n2ccnc2)ccc1C[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000191998717 496959675 /nfs/dbraw/zinc/95/96/75/496959675.db2.gz YYQNSQVLBMTQSW-UHFFFAOYSA-N 1 0 362.481 3.072 10 0 FGAERO CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000248156719 496965695 /nfs/dbraw/zinc/96/56/95/496965695.db2.gz RLBACPSAPIUVMZ-XAUMDUMWSA-N 1 0 362.539 3.211 10 0 FGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCc1ccc(Br)cc1 ZINC000248342528 496981708 /nfs/dbraw/zinc/98/17/08/496981708.db2.gz JPUUXUXBTADCLE-SJORKVTESA-N 1 0 365.315 3.467 10 0 FGAERO C[C@H]([NH2+]CCC(=O)N1CCc2ccccc2C1)c1ccc2c(c1)OCCO2 ZINC000189152921 497026185 /nfs/dbraw/zinc/02/61/85/497026185.db2.gz QKWMURVQDWYJKP-INIZCTEOSA-N 1 0 366.461 3.083 10 0 FGAERO C[C@@H]1CC[N@H+](C[C@H](O)COc2cccc(Br)c2)CCS1 ZINC000192192311 497028505 /nfs/dbraw/zinc/02/85/05/497028505.db2.gz ZPVIXQPLLOGKHX-OCCSQVGLSA-N 1 0 360.317 3.016 10 0 FGAERO CC(C)OC(=O)C[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N[C@@H](C)c2ccccc2)C1 ZINC000248612343 497056821 /nfs/dbraw/zinc/05/68/21/497056821.db2.gz GVBLLMAZYOJTQQ-KSZLIROESA-N 1 0 360.498 3.306 10 0 FGAERO CC(C)c1ccc([C@H]2C[C@@H]2C(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)cc1 ZINC000248708905 497084288 /nfs/dbraw/zinc/08/42/88/497084288.db2.gz MKRTVYLKHQIHOC-UIFIKXQLSA-N 1 0 357.542 3.056 10 0 FGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H](COC)c1ccc(Cl)cc1 ZINC000248739900 497094045 /nfs/dbraw/zinc/09/40/45/497094045.db2.gz PXKWKECMHOUFRT-IAGOWNOFSA-N 1 0 353.894 3.153 10 0 FGAERO O=C(NC[C@H](O)C[NH+]1CCCCC1)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000192421624 497110341 /nfs/dbraw/zinc/11/03/41/497110341.db2.gz BVDAREIUHLGSCH-NSHDSACASA-N 1 0 364.248 3.101 10 0 FGAERO CC1CCC(N(Cc2ccc3c(c2)OCO3)C(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000236710860 497136075 /nfs/dbraw/zinc/13/60/75/497136075.db2.gz HEVPEWJZYOCICZ-YCHGYYGWSA-N 1 0 358.482 3.450 10 0 FGAERO Cc1nc(NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)ccc1Br 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361.536 3.472 10 0 FGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000246450275 713624100 /nfs/dbraw/zinc/62/41/00/713624100.db2.gz PFNAUWOMJBPYQM-HFBAOOFYSA-N 1 0 357.281 3.112 10 0 FGAERO CC[C@@H]1CN(C(=O)Nc2ccccc2SC(F)F)CC[N@@H+]1C[C@H](C)O ZINC000246837143 713631504 /nfs/dbraw/zinc/63/15/04/713631504.db2.gz BLRIHURXFSGPSU-QWHCGFSZSA-N 1 0 373.469 3.310 10 0 FGAERO O[C@]12CCCC[C@H]1C[N@H+](Cc1cc3c(cc1Br)OCO3)CC2 ZINC000248160594 713646673 /nfs/dbraw/zinc/64/66/73/713646673.db2.gz SAOIXYLNUVSPNS-GUYCJALGSA-N 1 0 368.271 3.305 10 0 FGAERO C[C@@H]1CC[C@H](C(=O)OC[C@H]2CCC[N@H+](Cc3cc(F)ccc3F)C2)O1 ZINC000248221685 713647188 /nfs/dbraw/zinc/64/71/88/713647188.db2.gz OGUNYXFZFZTQKB-QWQRMKEZSA-N 1 0 353.409 3.288 10 0 FGAERO CC(C)(C)OC(=O)NC[C@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc(F)cc1 ZINC000250431736 713671196 /nfs/dbraw/zinc/67/11/96/713671196.db2.gz IYOSKZFCZKDYNY-IAGOWNOFSA-N 1 0 352.450 3.238 10 0 FGAERO C[NH2+][C@H](C)Cc1noc([C@@H](NC(=O)c2ccc(Cl)cc2)C(C)C)n1 ZINC000261810080 713714530 /nfs/dbraw/zinc/71/45/30/713714530.db2.gz PTAVQEOPBNZDJG-ABAIWWIYSA-N 1 0 350.850 3.001 10 0 FGAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)Nc1cccc(COCC(F)(F)C(F)F)c1 ZINC000261795299 713714597 /nfs/dbraw/zinc/71/45/97/713714597.db2.gz QMNUGQCONNZMDV-TZMCWYRMSA-N 1 0 362.367 3.417 10 0 FGAERO Cc1cc(Cc2cnc(NC(=O)C[C@@H](C)[NH3+])s2)ccc1Br ZINC000261909507 713715781 /nfs/dbraw/zinc/71/57/81/713715781.db2.gz WFSBSRFMEZQXPI-SNVBAGLBSA-N 1 0 368.300 3.481 10 0 FGAERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccc(Br)nc1 ZINC000381099267 713977879 /nfs/dbraw/zinc/97/78/79/713977879.db2.gz ZBVXIABDKLWMLW-ZDUSSCGKSA-N 1 0 362.271 3.094 10 0 FGAERO CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C[NH2+]Cc2csc3ccccc23)C1 ZINC000702768121 722410905 /nfs/dbraw/zinc/41/09/05/722410905.db2.gz RJEZWRHSRVFDFC-XJKSGUPXSA-N 1 0 362.495 3.219 10 0 FGAERO C[C@H]([NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)c1ccc(Cl)s1 ZINC000705730665 722412035 /nfs/dbraw/zinc/41/20/35/722412035.db2.gz WHGOLNQOLWDJLU-SDDRHHMPSA-N 1 0 360.907 3.280 10 0 FGAERO CCCn1cc([C@H](C)[NH2+][C@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)nn1 ZINC000715874252 722416477 /nfs/dbraw/zinc/41/64/77/722416477.db2.gz DXHKBGSFWXYLER-KKUMJFAQSA-N 1 0 351.495 3.032 10 0 FGAERO CC[N@@H+]1CCC[C@H]1CNC(=O)c1c(OC)c(Cl)cc(Cl)c1OC ZINC000002021795 204023589 /nfs/dbraw/zinc/02/35/89/204023589.db2.gz JGQKBQNMKHVABS-JTQLQIEISA-N 1 0 361.269 3.225 10 0 FGAERO Cc1cccc(C[NH2+][C@H]2CCc3c(c(C(=O)N(C)C)nn3CC(C)C)C2)c1 ZINC000014536740 204583189 /nfs/dbraw/zinc/58/31/89/204583189.db2.gz YAOXHLVIXLSQMC-SFHVURJKSA-N 1 0 368.525 3.196 10 0 FGAERO COc1cccc(C[N@H+](C[C@H](O)COCc2ccccc2)C2CC2)c1OC ZINC000036031440 205002195 /nfs/dbraw/zinc/00/21/95/205002195.db2.gz JEFOPOFJWOMXEM-FQEVSTJZSA-N 1 0 371.477 3.246 10 0 FGAERO O[C@H](COCc1ccccc1)C[N@@H+](Cc1ccsc1)C[C@@H]1CCCO1 ZINC000036099555 205005039 /nfs/dbraw/zinc/00/50/39/205005039.db2.gz UBAFEPIMPUJYHS-PMACEKPBSA-N 1 0 361.507 3.307 10 0 FGAERO COc1ccc([C@H]([NH3+])c2cccc(I)c2)c(F)c1 ZINC000036766550 205022243 /nfs/dbraw/zinc/02/22/43/205022243.db2.gz DONQSVUUMXKEFW-CQSZACIVSA-N 1 0 357.166 3.487 10 0 FGAERO COc1ccc([C@@H]([NH3+])c2ccc(I)cc2)c(F)c1 ZINC000036766553 205022474 /nfs/dbraw/zinc/02/24/74/205022474.db2.gz BAWKRXMEBGOOIC-AWEZNQCLSA-N 1 0 357.166 3.487 10 0 FGAERO Cc1cc(C)n(-c2nc(NC[C@@H]3CCC[NH2+]C3)cc(-c3ccccc3)n2)n1 ZINC000073685019 205033011 /nfs/dbraw/zinc/03/30/11/205033011.db2.gz BIWXZPYHGVDQDF-QGZVFWFLSA-N 1 0 362.481 3.358 10 0 FGAERO CN(Cc1cc(Br)cs1)c1nc2sccn2c1C[NH3+] ZINC000042400077 205096217 /nfs/dbraw/zinc/09/62/17/205096217.db2.gz KVDUULDQADRUCS-UHFFFAOYSA-N 1 0 357.302 3.315 10 0 FGAERO CN1CCCC[C@H]1C[NH2+]Cc1cc(Br)c(Br)o1 ZINC000050361373 205178157 /nfs/dbraw/zinc/17/81/57/205178157.db2.gz FRMPZOUYYRRCFL-VIFPVBQESA-N 1 0 366.097 3.379 10 0 FGAERO CSc1ccc(C[N@H+](Cc2cccc(OCC(N)=O)c2)C2CC2)cc1 ZINC000055154953 205208572 /nfs/dbraw/zinc/20/85/72/205208572.db2.gz CXUSCIYITCDAIN-UHFFFAOYSA-N 1 0 356.491 3.437 10 0 FGAERO COc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)Cc2ccccn2)C1 ZINC000055226384 205210992 /nfs/dbraw/zinc/21/09/92/205210992.db2.gz NGHTWZOSOQZLIE-LJQANCHMSA-N 1 0 353.510 3.477 10 0 FGAERO c1ccc2c(c1)CCO[C@@H]2CNc1ncnc2sc3c(c21)CC[NH2+]C3 ZINC000065526799 205356347 /nfs/dbraw/zinc/35/63/47/205356347.db2.gz NGNVRXHVYXUQJI-OAHLLOKOSA-N 1 0 352.463 3.063 10 0 FGAERO CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+]Cc1cnc(Cl)nc1Cl ZINC000095085802 205722657 /nfs/dbraw/zinc/72/26/57/205722657.db2.gz NTEVFLGZFVKISE-NSHDSACASA-N 1 0 361.273 3.273 10 0 FGAERO C[NH+](C)C[C@@H](NC(=O)CCc1nc(-c2ccsc2)no1)c1ccccc1 ZINC000052556536 257345743 /nfs/dbraw/zinc/34/57/43/257345743.db2.gz IYWVHJSTMSRVMR-MRXNPFEDSA-N 1 0 370.478 3.150 10 0 FGAERO C[NH+](C)C[C@H](NC(=O)c1ccc2c(c1)NC(=O)CCS2)c1ccccc1 ZINC000052555618 257345948 /nfs/dbraw/zinc/34/59/48/257345948.db2.gz QKTPZPZESRQTJW-KRWDZBQOSA-N 1 0 369.490 3.154 10 0 FGAERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)Cc2ccc(Cl)cc2)C1 ZINC000190585347 257369161 /nfs/dbraw/zinc/36/91/61/257369161.db2.gz BYTSDRVIPSUUCD-GOSISDBHSA-N 1 0 357.885 3.258 10 0 FGAERO Cc1ccc(C(=O)Nc2cc(N)ccc2N2CC[NH+](C)CC2)c(Cl)c1 ZINC000226259358 132374736 /nfs/dbraw/zinc/37/47/36/132374736.db2.gz WHOSVSONMLUGRS-UHFFFAOYSA-N 1 0 358.873 3.235 10 0 FGAERO CC[NH+]1CCN(c2ccc(NC(=O)c3cccc(Cl)c3)cc2N)CC1 ZINC000226263413 132374813 /nfs/dbraw/zinc/37/48/13/132374813.db2.gz PFIOFOZGIDSWQI-UHFFFAOYSA-N 1 0 358.873 3.316 10 0 FGAERO Clc1cccc(-c2nc(-c3cccnc3)cc(N3CC[NH2+]CC3)n2)c1 ZINC000073662808 132376740 /nfs/dbraw/zinc/37/67/40/132376740.db2.gz QKXSGYMJOBWRMI-UHFFFAOYSA-N 1 0 351.841 3.269 10 0 FGAERO CN(C)c1cccc([C@H]2CCC[N@@H+]2C[C@H](O)COCc2ccccc2)c1 ZINC000075838797 493784170 /nfs/dbraw/zinc/78/41/70/493784170.db2.gz KECXSUYELNOCGK-FCHUYYIVSA-N 1 0 354.494 3.467 10 0 FGAERO O=S(=O)(CCC[N@H+]1CCC[C@H]1C[C@H](O)c1ccccc1)c1ccccc1 ZINC000076076081 493817299 /nfs/dbraw/zinc/81/72/99/493817299.db2.gz GVGCEDDLQBEWFE-FPOVZHCZSA-N 1 0 373.518 3.439 10 0 FGAERO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H](C)c2cccc(-n3ccnc3)c2)C1 ZINC000076471215 493899555 /nfs/dbraw/zinc/89/95/55/493899555.db2.gz KJVHUSCXFULXKY-QFBILLFUSA-N 1 0 355.486 3.059 10 0 FGAERO CCOC[C@H]1CCN(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000081489211 493902267 /nfs/dbraw/zinc/90/22/67/493902267.db2.gz MGFAKUOXPDWHJN-VQTJNVASSA-N 1 0 359.514 3.109 10 0 FGAERO C[NH+](C)C[C@H](NC(=O)CCc1nnc(-c2ccsc2)o1)c1ccccc1 ZINC000030938618 493913803 /nfs/dbraw/zinc/91/38/03/493913803.db2.gz TWMUPRYRZHTNME-INIZCTEOSA-N 1 0 370.478 3.150 10 0 FGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(Br)ccc1Cl ZINC000083550461 494019658 /nfs/dbraw/zinc/01/96/58/494019658.db2.gz BEFLXYZCCMSSTJ-CMPLNLGQSA-N 1 0 357.679 3.411 10 0 FGAERO CCOc1c(Cl)cc(CNC(=O)N[C@@H]2CCC[N@H+](CC)C2)cc1OC ZINC000052553901 494038931 /nfs/dbraw/zinc/03/89/31/494038931.db2.gz CSAOMMATZWFIDP-CQSZACIVSA-N 1 0 369.893 3.031 10 0 FGAERO C[NH+](C)C[C@@H](NC(=O)c1ccc(OC[C@H]2CCCO2)cc1)c1ccccc1 ZINC000052555325 494040158 /nfs/dbraw/zinc/04/01/58/494040158.db2.gz KRWQEXJPUDXFFQ-NHCUHLMSSA-N 1 0 368.477 3.277 10 0 FGAERO [NH2+]=C1Nc2ccc(Cl)c(Cl)c2CN1CC(=O)OCc1ccccc1 ZINC000077271072 494045056 /nfs/dbraw/zinc/04/50/56/494045056.db2.gz CXFFYPIYSICDIW-UHFFFAOYSA-N 1 0 364.232 3.499 10 0 in-vitro FGAERO COc1ccc(C[NH2+]C[C@H]2CCCC[C@H]2O)cc1OCc1cccnc1 ZINC000077465769 494088592 /nfs/dbraw/zinc/08/85/92/494088592.db2.gz ZEEWAXILTFTIQH-RTBURBONSA-N 1 0 356.466 3.310 10 0 FGAERO Cc1ccc(NC(=O)C2CCC([NH3+])CC2)cc1I ZINC000037628917 494107945 /nfs/dbraw/zinc/10/79/45/494107945.db2.gz NSKPQFHRENLOEH-UHFFFAOYSA-N 1 0 358.223 3.056 10 0 FGAERO CC1(C)COCC[N@@H+]1C[C@@H](O)COC(c1ccccc1)c1ccccc1 ZINC000064247584 494109021 /nfs/dbraw/zinc/10/90/21/494109021.db2.gz CLPOYAFQKAELTP-HXUWFJFHSA-N 1 0 355.478 3.264 10 0 FGAERO C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000041536144 494167412 /nfs/dbraw/zinc/16/74/12/494167412.db2.gz JMAYKYNKSAHYDL-TZMCWYRMSA-N 1 0 357.281 3.457 10 0 FGAERO Cc1nc2cccnc2n1[C@@H]1CCN(C(=O)CC2CC[NH+](C(C)C)CC2)C1 ZINC000065271281 494184599 /nfs/dbraw/zinc/18/45/99/494184599.db2.gz IZEHWQHTHQVGEC-GOSISDBHSA-N 1 0 369.513 3.024 10 0 FGAERO CC(C)C(=O)NC[C@H]1CCC2(CC[NH+](CCCc3ccccc3)CC2)O1 ZINC000012040556 494200817 /nfs/dbraw/zinc/20/08/17/494200817.db2.gz QIHZDRVQCBRZAR-HXUWFJFHSA-N 1 0 358.526 3.405 10 0 FGAERO O=C(NCc1cccc(O)c1)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000065517117 494207878 /nfs/dbraw/zinc/20/78/78/494207878.db2.gz RVGSHEGAKWWXSE-LJQANCHMSA-N 1 0 353.466 3.246 10 0 FGAERO CC[N@@H+]1CCC[C@@H](NC(=O)Cc2csc(Cc3ccc(F)cc3)n2)C1 ZINC000065619200 494220274 /nfs/dbraw/zinc/22/02/74/494220274.db2.gz ZRJHKLFSNAYATC-MRXNPFEDSA-N 1 0 361.486 3.016 10 0 FGAERO CCOC(=O)c1ccc(NC(=O)N[C@H](C[NH+](C)C)c2ccccc2)cc1 ZINC000042624827 494230801 /nfs/dbraw/zinc/23/08/01/494230801.db2.gz RNZHLOKAYKCIJK-GOSISDBHSA-N 1 0 355.438 3.288 10 0 FGAERO COC(=O)c1ccc(C)c(NC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)c1 ZINC000043387617 494293213 /nfs/dbraw/zinc/29/32/13/494293213.db2.gz BBCCRFAECNQQMB-SFHVURJKSA-N 1 0 355.438 3.206 10 0 FGAERO C[C@@H](NC(=O)N1CCC(C[NH+]2CCCC2)CC1)c1ccc2c(c1)OCCO2 ZINC000043482943 494299726 /nfs/dbraw/zinc/29/97/26/494299726.db2.gz BOPQMDXEINKBTC-MRXNPFEDSA-N 1 0 373.497 3.036 10 0 FGAERO C[C@H](NC(=O)N[C@@H](C[NH+](C)C)c1ccccc1)c1nc2ccccc2[nH]1 ZINC000043833213 494323222 /nfs/dbraw/zinc/32/32/22/494323222.db2.gz KNOBYURHNDQPNV-KSSFIOAISA-N 1 0 351.454 3.226 10 0 FGAERO CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000089732345 494350170 /nfs/dbraw/zinc/35/01/70/494350170.db2.gz SREDRAUIQMHADK-FUHWJXTLSA-N 1 0 367.497 3.015 10 0 FGAERO c1ccc2c(c1)OC1(CCC1)C[C@@H]2[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000089733480 494350705 /nfs/dbraw/zinc/35/07/05/494350705.db2.gz HMIPYFXTDGMOBF-AEFFLSMTSA-N 1 0 350.466 3.482 10 0 FGAERO Cc1ccccc1CN(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000073717202 494417298 /nfs/dbraw/zinc/41/72/98/494417298.db2.gz QDMYXTWIOJHFEN-IAGOWNOFSA-N 1 0 368.477 3.464 10 0 FGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N[C@H](C)c1nc(C2CCCCC2)no1 ZINC000073722931 494417685 /nfs/dbraw/zinc/41/76/85/494417685.db2.gz FDUNKFGZMUCFPG-ZBFHGGJFSA-N 1 0 365.522 3.454 10 0 FGAERO C[C@@H]([NH2+][C@H](C)c1ccc2c(c1)OCCO2)C(=O)Nc1ccc(Cl)cn1 ZINC000066864458 494428830 /nfs/dbraw/zinc/42/88/30/494428830.db2.gz WWSACDSTZNIROU-VXGBXAGGSA-N 1 0 361.829 3.184 10 0 FGAERO C[NH+](C)Cc1cccc(C(=O)N2CCC[C@H]2C[C@@H](O)c2ccccc2)c1 ZINC000074187801 494494097 /nfs/dbraw/zinc/49/40/97/494494097.db2.gz BBQQRNGXPHCYBM-LEWJYISDSA-N 1 0 352.478 3.477 10 0 FGAERO COc1cc([C@H](C)NC[C@H]2CCC[N@@H+]2CC(C)C)cc(OC)c1OC ZINC000090773374 494496756 /nfs/dbraw/zinc/49/67/56/494496756.db2.gz XZZQZMMGECTUMQ-DOTOQJQBSA-N 1 0 350.503 3.483 10 0 FGAERO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1C[C@H](O)COCc1ccc(Cl)cc1 ZINC000091081630 494526885 /nfs/dbraw/zinc/52/68/85/494526885.db2.gz YNEOFRQIXQZUKO-ZWKOTPCHSA-N 1 0 363.889 3.395 10 0 FGAERO C[C@@H](NC(=O)N1CC[NH+](CC2CC2)CC1)c1cccc(Br)c1 ZINC000079987466 494563450 /nfs/dbraw/zinc/56/34/50/494563450.db2.gz QWIMEXCSBTXCCV-CYBMUJFWSA-N 1 0 366.303 3.247 10 0 FGAERO COc1cc(F)c([C@@H](C)NC(=O)[C@H](Cc2ccccc2)[NH+](C)C)cc1OC ZINC000074611641 494566572 /nfs/dbraw/zinc/56/65/72/494566572.db2.gz ZVOLLAAQBTXAOU-KDOFPFPSSA-N 1 0 374.456 3.193 10 0 FGAERO CC(C)[C@H](CNC(=O)[C@H](C)NC(=O)Nc1ccccc1)[NH+]1CCC(C)CC1 ZINC000046946140 494593234 /nfs/dbraw/zinc/59/32/34/494593234.db2.gz OMOJOFUFLNWOHB-HKUYNNGSSA-N 1 0 374.529 3.069 10 0 FGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(C(=O)N2CCCCC2)c1 ZINC000092430338 494624631 /nfs/dbraw/zinc/62/46/31/494624631.db2.gz XWMQHHRCNNRUAN-VQIMIIECSA-N 1 0 370.497 3.013 10 0 FGAERO COCCCOC1CC[NH+](C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)CC1 ZINC000091673140 494640980 /nfs/dbraw/zinc/64/09/80/494640980.db2.gz JTYCPPZLXDZCIW-SFHVURJKSA-N 1 0 366.889 3.351 10 0 FGAERO Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)c1 ZINC000067781540 494646514 /nfs/dbraw/zinc/64/65/14/494646514.db2.gz IMSCIHGAJPKOBO-FQEVSTJZSA-N 1 0 365.477 3.104 10 0 FGAERO COc1ccccc1/C=C/C[N@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000121217015 494650854 /nfs/dbraw/zinc/65/08/54/494650854.db2.gz BWRVZKASKBXMST-VMPITWQZSA-N 1 0 354.498 3.001 10 0 FGAERO CCn1cnnc1[C@H]1CCC[N@H+](C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)C1 ZINC000091739918 494663495 /nfs/dbraw/zinc/66/34/95/494663495.db2.gz NDQSVVCFICQTCV-RDJZCZTQSA-N 1 0 373.888 3.324 10 0 FGAERO C[NH+](C)C[C@H](NC(=O)CCCc1nc2ccccc2[nH]1)c1ccccc1 ZINC000047455044 494714747 /nfs/dbraw/zinc/71/47/47/494714747.db2.gz AOQRNKQMSMXOAR-IBGZPJMESA-N 1 0 350.466 3.305 10 0 FGAERO CC(=O)c1ccc(Oc2ccc(C(=O)N3CC[C@@H]([NH+](C)C)C3)cc2)cc1 ZINC000126370140 494728796 /nfs/dbraw/zinc/72/87/96/494728796.db2.gz CSUDAHMKKJYGDH-GOSISDBHSA-N 1 0 352.434 3.458 10 0 FGAERO FC(F)(F)c1ccc2oc(C[N@@H+]3CCC[C@@H](Cn4cncn4)C3)nc2c1 ZINC000131789061 494731870 /nfs/dbraw/zinc/73/18/70/494731870.db2.gz YSSCKXYRXCWRPD-GFCCVEGCSA-N 1 0 365.359 3.350 10 0 FGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccccc1C(=O)N1CCCCC1 ZINC000091991215 494747990 /nfs/dbraw/zinc/74/79/90/494747990.db2.gz PEBIHHSBPRZEFX-IAGOWNOFSA-N 1 0 370.497 3.013 10 0 FGAERO C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000116288230 494753899 /nfs/dbraw/zinc/75/38/99/494753899.db2.gz WFHLWINZELYVOZ-IEBWSBKVSA-N 1 0 353.466 3.154 10 0 FGAERO C[C@@H](NC(=O)NCCCC[NH+]1CCOCC1)C12CC3CC(CC(C3)C1)C2 ZINC000047656590 494755603 /nfs/dbraw/zinc/75/56/03/494755603.db2.gz SINGHJSOQBNEGH-HINLZNOGSA-N 1 0 363.546 3.003 10 0 FGAERO CCn1cc(C2CC[NH+](Cc3cc(OC)c(OC)c(OC)c3)CC2)cn1 ZINC000092809336 494756367 /nfs/dbraw/zinc/75/63/67/494756367.db2.gz FCCBHZGGESBKKE-UHFFFAOYSA-N 1 0 359.470 3.308 10 0 FGAERO Cc1nn(C)c(C)c1CN1CC[NH+](Cc2c(C)oc3ccccc32)CC1 ZINC000121450197 494761576 /nfs/dbraw/zinc/76/15/76/494761576.db2.gz AXOHWIXCGIRJJO-UHFFFAOYSA-N 1 0 352.482 3.409 10 0 FGAERO Cc1nc(CN2CC[C@@H](N3CCOCC3)C2)oc1-c1ccc(Cl)cc1 ZINC000121537894 494796091 /nfs/dbraw/zinc/79/60/91/494796091.db2.gz TUIJEJNMYRAQOL-QGZVFWFLSA-N 1 0 361.873 3.210 10 0 FGAERO Brc1ccccc1OCC[NH+]1CCC(Cn2cccn2)CC1 ZINC000126679157 494818894 /nfs/dbraw/zinc/81/88/94/494818894.db2.gz AVIHCTWQERLZPL-UHFFFAOYSA-N 1 0 364.287 3.437 10 0 FGAERO C[NH+](C)[C@H]1CCN(C(=O)N[C@@H](c2cccc(Cl)c2)c2ccccn2)C1 ZINC000121676624 494835368 /nfs/dbraw/zinc/83/53/68/494835368.db2.gz CSORXKPGXDCHHA-WMZOPIPTSA-N 1 0 358.873 3.170 10 0 FGAERO CCc1nc2ccccc2n1C1CC[NH+](C[C@@H](O)COC(C)(C)C)CC1 ZINC000093300289 494863809 /nfs/dbraw/zinc/86/38/09/494863809.db2.gz YHSHORPEBWUMJY-QGZVFWFLSA-N 1 0 359.514 3.412 10 0 FGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1cc(Cl)ccc1Cl ZINC000121808718 494864532 /nfs/dbraw/zinc/86/45/32/494864532.db2.gz MRJVWHVZFDEMFK-LBPRGKRZSA-N 1 0 360.285 3.024 10 0 FGAERO CCOCC[N@@H+]1CCN(C(=O)N[C@@H](CC)c2nc(C)cs2)C[C@@H]1CC ZINC000117046615 494887696 /nfs/dbraw/zinc/88/76/96/494887696.db2.gz ZQWYHXVESSOWMK-HOTGVXAUSA-N 1 0 368.547 3.045 10 0 FGAERO Cc1cnn([C@H]2CCCN(C(=O)c3cccc(C[NH+]4CCCC4)c3)C2)c1 ZINC000109682814 494907042 /nfs/dbraw/zinc/90/70/42/494907042.db2.gz MHCHQTSAUCWSTP-FQEVSTJZSA-N 1 0 352.482 3.265 10 0 FGAERO Cc1cnn([C@H]2CCCN(C(=O)[C@H]3CCC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000109684754 494907686 /nfs/dbraw/zinc/90/76/86/494907686.db2.gz YJAXHFROUTVRQU-SFTDATJTSA-N 1 0 366.509 3.267 10 0 FGAERO CC(=O)N[C@@H]1CCC[N@H+](CC/C=C/c2ccc(Br)cc2)C1 ZINC000117335802 494911728 /nfs/dbraw/zinc/91/17/28/494911728.db2.gz KKCGJWPDUOZQLK-WAUBUAMCSA-N 1 0 351.288 3.453 10 0 FGAERO Cn1nccc1C1CC[NH+](CCOc2ccccc2Br)CC1 ZINC000093788385 494920359 /nfs/dbraw/zinc/92/03/59/494920359.db2.gz IDHIIJLWKRLCQV-UHFFFAOYSA-N 1 0 364.287 3.441 10 0 FGAERO O[C@]12CCCC[C@@H]1C[N@H+](CCOc1ccccc1Br)CC2 ZINC000093793278 494922467 /nfs/dbraw/zinc/92/24/67/494922467.db2.gz HTSSRXZJHLIHMG-PBHICJAKSA-N 1 0 354.288 3.455 10 0 FGAERO CCc1nc(Cl)c(C)c(NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)n1 ZINC000132882087 494937651 /nfs/dbraw/zinc/93/76/51/494937651.db2.gz YNRUQIDEKLWODU-GJZGRUSLSA-N 1 0 352.910 3.181 10 0 FGAERO CCCn1cc(CN2CCCN(C(=O)NCC3(C4CC4)CCC3)CC2)cn1 ZINC000133109716 494970322 /nfs/dbraw/zinc/97/03/22/494970322.db2.gz PPARRZBBFKQPOL-UHFFFAOYSA-N 1 0 373.545 3.091 10 0 FGAERO CC(C)Oc1ncc(-c2nc(-c3ccc4c(c3)CC[NH2+]C4)no2)cc1C#N ZINC000118093052 494976886 /nfs/dbraw/zinc/97/68/86/494976886.db2.gz MUGBWUXIBZVIAT-UHFFFAOYSA-N 1 0 361.405 3.103 10 0 FGAERO CC(C)(C)OC[C@@H](O)C[N@H+](CC(=O)Nc1ccc(F)cc1)C(C)(C)C ZINC000133367641 495005962 /nfs/dbraw/zinc/00/59/62/495005962.db2.gz NIRHGGYTURLITC-INIZCTEOSA-N 1 0 354.466 3.041 10 0 FGAERO CC(=O)Nc1ccc(Cl)c(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)c1 ZINC000133382612 495007587 /nfs/dbraw/zinc/00/75/87/495007587.db2.gz HWECFQVXASMCBI-SFHVURJKSA-N 1 0 359.857 3.331 10 0 FGAERO COc1cccc(-c2nc3sc(C[NH+]4CCSCC4)cc3c(N)n2)c1 ZINC000118596018 495015318 /nfs/dbraw/zinc/01/53/18/495015318.db2.gz ZNTVEIZYAOOTTQ-UHFFFAOYSA-N 1 0 372.519 3.498 10 0 FGAERO C[NH+](C)C[C@@H]1CN(C(=O)Nc2ccccc2Cc2ccccc2)CCO1 ZINC000118792623 495036526 /nfs/dbraw/zinc/03/65/26/495036526.db2.gz BPYHHDRZKJLIHL-LJQANCHMSA-N 1 0 353.466 3.072 10 0 FGAERO C[C@@H](O)C1CC[NH+](CC(=O)N[C@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000111285573 495058129 /nfs/dbraw/zinc/05/81/29/495058129.db2.gz NTYSJUXRVUXTGM-XMSQKQJNSA-N 1 0 366.505 3.179 10 0 FGAERO CCc1nc2c(s1)[C@H](N(C)C(=O)NC[C@H](C)[NH+](CC)CC)CCC2 ZINC000118967227 495060180 /nfs/dbraw/zinc/06/01/80/495060180.db2.gz BBWMOQYOXKPKDO-DZGCQCFKSA-N 1 0 352.548 3.455 10 0 FGAERO CC(C)(O)[C@H]1CCC[N@@H+]1C[C@H](O)COC(c1ccccc1)c1ccccc1 ZINC000118978622 495063463 /nfs/dbraw/zinc/06/34/63/495063463.db2.gz XHBCICRTACZGHO-LEWJYISDSA-N 1 0 369.505 3.389 10 0 FGAERO O[C@@H](COC(c1ccccc1)c1ccccc1)C[N@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000111318191 495064547 /nfs/dbraw/zinc/06/45/47/495064547.db2.gz KHGAMUFBZHOBPX-IUPYZPJSSA-N 1 0 367.489 3.141 10 0 FGAERO CCC[C@H](C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1)[NH+](C)C ZINC000128260600 495068493 /nfs/dbraw/zinc/06/84/93/495068493.db2.gz OMIWKQPNZMQWIT-HZPDHXFCSA-N 1 0 369.303 3.079 10 0 FGAERO C[C@@H]1CN([C@@H](CNC(=O)NCCC2=CCCC2)c2cccs2)CCO1 ZINC000133996997 495091759 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365.481 3.196 10 0 FGAERO CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000172053246 496143153 /nfs/dbraw/zinc/14/31/53/496143153.db2.gz FUGJEVUUHUZEIU-HKUYNNGSSA-N 1 0 354.498 3.035 10 0 FGAERO [NH3+]C[C@@H]1CCCN1C(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000156074693 496149790 /nfs/dbraw/zinc/14/97/90/496149790.db2.gz KNQPBTJQWLABKP-VIFPVBQESA-N 1 0 351.166 3.031 10 0 FGAERO CC[N@@H+]1CCC[C@H]1CN(C)CC(=O)Nc1cc(C)c(Cl)cc1OC ZINC000177709978 496167615 /nfs/dbraw/zinc/16/76/15/496167615.db2.gz RUWFWAASZYEUER-AWEZNQCLSA-N 1 0 353.894 3.012 10 0 FGAERO CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](c2ccccc2)c2ccccn2)ncn1 ZINC000180851137 496170875 /nfs/dbraw/zinc/17/08/75/496170875.db2.gz LJJAHUXETQDDAI-AVRDEDQJSA-N 1 0 374.492 3.261 10 0 FGAERO COc1ccccc1CN(C)C(=O)C[NH2+][C@H](C)c1ccc(OC)c(OC)c1 ZINC000180884910 496185932 /nfs/dbraw/zinc/18/59/32/496185932.db2.gz YEVYDZRHKOTPEL-OAHLLOKOSA-N 1 0 372.465 3.022 10 0 FGAERO COc1ccc([C@H](C)[NH2+]C[C@H]2CN(c3ccccc3)C(=O)O2)cc1OC ZINC000180890165 496188100 /nfs/dbraw/zinc/18/81/00/496188100.db2.gz DLIRQLGSIPQOII-YOEHRIQHSA-N 1 0 356.422 3.380 10 0 FGAERO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C2CC2)N(C)Cc2ccccc2)C12CCOCC2 ZINC000186876940 496191782 /nfs/dbraw/zinc/19/17/82/496191782.db2.gz PIYGTQHZHXXUSZ-FDFHNCONSA-N 1 0 372.553 3.461 10 0 FGAERO CN1CCO[C@H](C[NH2+]Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)C1 ZINC000180933077 496206514 /nfs/dbraw/zinc/20/65/14/496206514.db2.gz PPYZAIKNURRLJH-MRXNPFEDSA-N 1 0 354.372 3.386 10 0 FGAERO CC1(C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000156315233 496213729 /nfs/dbraw/zinc/21/37/29/496213729.db2.gz BUFBFHRLWMXNSJ-REWPJTCUSA-N 1 0 370.537 3.442 10 0 FGAERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)COc3ccc(Oc4ccccc4)cc3)C[C@@H]12 ZINC000186934148 496217814 /nfs/dbraw/zinc/21/78/14/496217814.db2.gz FYPURGZZRFJUGC-CWFSZBLJSA-N 1 0 352.434 3.053 10 0 FGAERO CCC[C@@H](C(=O)N1CCO[C@H](c2ccc(Br)cc2)C1)[NH+](C)C ZINC000161775633 496235603 /nfs/dbraw/zinc/23/56/03/496235603.db2.gz XTYOBPVKNCIVJD-HOTGVXAUSA-N 1 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ZINC000175351220 496350999 /nfs/dbraw/zinc/35/09/99/496350999.db2.gz ASQDYIMNLVBXDH-QGZVFWFLSA-N 1 0 369.513 3.353 10 0 FGAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1ccc(OC)c(OC)c1Br ZINC000175352458 496352470 /nfs/dbraw/zinc/35/24/70/496352470.db2.gz FCLYVCQARUCOOB-AWEZNQCLSA-N 1 0 371.319 3.382 10 0 FGAERO Fc1cc(C[NH2+][C@H]2CCCN(c3cccnn3)C2)cc(C(F)(F)F)c1 ZINC000162543516 496370273 /nfs/dbraw/zinc/37/02/73/496370273.db2.gz HRNHNEDRNSVHCI-HNNXBMFYSA-N 1 0 354.351 3.393 10 0 FGAERO Cc1nc2sc(-c3ccccc3)cc2c(N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)n1 ZINC000153188602 496378536 /nfs/dbraw/zinc/37/85/36/496378536.db2.gz UTBRYDIUGIEWKP-DLBZAZTESA-N 1 0 366.490 3.186 10 0 FGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(C)n(-c2ccc(C)cc2)n1 ZINC000181494175 496419607 /nfs/dbraw/zinc/41/96/07/496419607.db2.gz WQOWLIZQNCIRAA-IEBWSBKVSA-N 1 0 352.482 3.188 10 0 FGAERO Cc1nc(CN2CCCN(Cc3cnc4c(C)cccn34)CC2)cs1 ZINC000157248727 496437832 /nfs/dbraw/zinc/43/78/32/496437832.db2.gz WJCFSYXHCHAZET-UHFFFAOYSA-N 1 0 355.511 3.116 10 0 FGAERO C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000172802860 496438381 /nfs/dbraw/zinc/43/83/81/496438381.db2.gz IHDHAYCAQZBMNG-UONOGXRCSA-N 1 0 355.404 3.203 10 0 FGAERO Cc1c(-c2cc(C[N@@H+]3CCC[C@H]3C[C@H](O)c3ccccc3)on2)cnn1C ZINC000184590461 496454267 /nfs/dbraw/zinc/45/42/67/496454267.db2.gz FTXHFPATIPGNKS-UWJYYQICSA-N 1 0 366.465 3.472 10 0 FGAERO C[C@@H]([NH2+]CC(=O)Nc1cccc(Cl)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000163058161 496458867 /nfs/dbraw/zinc/45/88/67/496458867.db2.gz OKEOVGSLQCQUPL-GFCCVEGCSA-N 1 0 366.870 3.033 10 0 FGAERO CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1cccs1 ZINC000172871136 496469235 /nfs/dbraw/zinc/46/92/35/496469235.db2.gz IKPOIKGEGONHLK-GJZGRUSLSA-N 1 0 373.522 3.447 10 0 FGAERO Cc1nc(N2CCN([C@@H](C)C(=O)N[C@H](C)c3ccccc3)CC2)sc1C ZINC000157472823 496483807 /nfs/dbraw/zinc/48/38/07/496483807.db2.gz YANHSLUTAIXEKU-CVEARBPZSA-N 1 0 372.538 3.148 10 0 FGAERO O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178619971 496517702 /nfs/dbraw/zinc/51/77/02/496517702.db2.gz ABVKAVRVMRPHQF-UXHICEINSA-N 1 0 353.441 3.286 10 0 FGAERO CCC[C@@H](C(=O)NCC1(c2ccc(Cl)cc2)CCOCC1)[NH+](C)C ZINC000178652907 496530295 /nfs/dbraw/zinc/53/02/95/496530295.db2.gz SRVBLZUOUZLHSX-KRWDZBQOSA-N 1 0 352.906 3.235 10 0 FGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2ccccc2OCC(F)(F)F)C1 ZINC000157691875 496531196 /nfs/dbraw/zinc/53/11/96/496531196.db2.gz RKCNVYXJSYSXCJ-HIFRSBDPSA-N 1 0 373.419 3.156 10 0 FGAERO O=C(c1ccccc1Cl)N1CCC([NH2+][C@@H]2CCCC[C@H]2CO)CC1 ZINC000153718802 496556600 /nfs/dbraw/zinc/55/66/00/496556600.db2.gz SOZHLXAEBNCTBI-KBXCAEBGSA-N 1 0 350.890 3.085 10 0 FGAERO CCN(C(=O)C[N@@H+]1CCC[C@@H]1Cn1ccnc1C)[C@H](C)c1ccc(F)cc1 ZINC000178747523 496558339 /nfs/dbraw/zinc/55/83/39/496558339.db2.gz NAOKOVPTBMZIHR-OXQOHEQNSA-N 1 0 372.488 3.405 10 0 FGAERO Cc1ccc2c(c1)[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccccn1)[C@@H](C)C2 ZINC000181941398 496607146 /nfs/dbraw/zinc/60/71/46/496607146.db2.gz YSYAWENGCIYWGP-UWJYYQICSA-N 1 0 366.509 3.397 10 0 FGAERO CC(C)c1c(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cnn1-c1cccc(Cl)c1 ZINC000184984859 496611736 /nfs/dbraw/zinc/61/17/36/496611736.db2.gz IDVFSOXNNZXVRW-MORSLUCNSA-N 1 0 372.900 3.458 10 0 FGAERO COc1cc(/C=C(/C(=O)N2CC[C@H]([NH+](C)C)C2)c2ccccc2)ccc1O ZINC000185068288 496645418 /nfs/dbraw/zinc/64/54/18/496645418.db2.gz ALXBZJOYRHWLPJ-DYGKOUCMSA-N 1 0 366.461 3.104 10 0 FGAERO Cc1csc([C@@H]2CCCN(C(=O)NC3CC[NH+](C(C)C)CC3)C2)n1 ZINC000173386553 496670119 /nfs/dbraw/zinc/67/01/19/496670119.db2.gz QSLCFBVPNJAREK-OAHLLOKOSA-N 1 0 350.532 3.213 10 0 FGAERO CC(C)(C)OC(=O)c1ccc(CNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1 ZINC000173400983 496675923 /nfs/dbraw/zinc/67/59/23/496675923.db2.gz XLIKLMYLGHOEPV-SFHVURJKSA-N 1 0 373.497 3.022 10 0 FGAERO CCC[C@H](C(=O)NCc1ccc(NC(=O)c2ccc(F)cc2)cc1)[NH+](C)C ZINC000179138319 496687012 /nfs/dbraw/zinc/68/70/12/496687012.db2.gz RIVPZSRFIXEUSB-LJQANCHMSA-N 1 0 371.456 3.425 10 0 FGAERO C[C@H](NC(=O)N1CC[NH+](C2CCOCC2)CC1)c1ccc2ccccc2c1 ZINC000176149810 496704812 /nfs/dbraw/zinc/70/48/12/496704812.db2.gz MRMYUOHAEUFTPF-KRWDZBQOSA-N 1 0 367.493 3.407 10 0 FGAERO Cc1ccccc1Cc1noc(CN2C[C@@H](c3ccsc3)[C@H](CO)C2)n1 ZINC000188163213 496705915 /nfs/dbraw/zinc/70/59/15/496705915.db2.gz PRJBPERUVKTJOA-ROUUACIJSA-N 1 0 369.490 3.238 10 0 FGAERO c1ncn(C[C@@H]2CCC[N@@H+](Cc3cccc(OCc4ccccn4)c3)C2)n1 ZINC000179223865 496716608 /nfs/dbraw/zinc/71/66/08/496716608.db2.gz IQIOWECPSYMNKE-LJQANCHMSA-N 1 0 363.465 3.164 10 0 FGAERO Cc1cc(N2CCC[C@H]([NH2+][C@H](C)c3ccc4c(c3)CCC4)C2=O)n(C)n1 ZINC000182347215 496730756 /nfs/dbraw/zinc/73/07/56/496730756.db2.gz FTRHGQZCIOVMDS-BEFAXECRSA-N 1 0 352.482 3.063 10 0 FGAERO Cc1cc(N2CCC[C@H]([NH2+][C@H](C)c3ccc4ccccc4n3)C2=O)n(C)n1 ZINC000182358515 496731365 /nfs/dbraw/zinc/73/13/65/496731365.db2.gz QULQNAGKGZSRBK-BEFAXECRSA-N 1 0 363.465 3.123 10 0 FGAERO Cc1nc(C)n(C[C@H]2CCC[N@@H+](Cc3ccc(N(C)C(C)C)nc3)C2)n1 ZINC000191341411 496731673 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COc1ccc(-c2nc(-c3ccccn3)cc(N3CCC([NH3+])CC3)n2)cc1 ZINC000073663145 536504439 /nfs/dbraw/zinc/50/44/39/536504439.db2.gz KPPZJPLEVUQWIC-UHFFFAOYSA-N 1 0 361.449 3.142 10 0 FGAERO CC[C@@H](C)[NH2+]Cc1cccc(-n2cc(I)cn2)c1 ZINC000725273727 570543416 /nfs/dbraw/zinc/54/34/16/570543416.db2.gz YBEUNZNEFYEYAI-LLVKDONJSA-N 1 0 355.223 3.365 10 0 FGAERO C[NH+](C)C[C@H](CO)NC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000675058546 571271705 /nfs/dbraw/zinc/27/17/05/571271705.db2.gz LDWOHBXKQDBJTQ-HSZRJFAPSA-N 1 0 360.501 3.491 10 0 FGAERO COc1c(Br)cc(Cl)cc1NC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089452265 700390658 /nfs/dbraw/zinc/39/06/58/700390658.db2.gz FETHYQRWIDPPQL-WPRPVWTQSA-N 1 0 361.667 3.425 10 0 FGAERO CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@@H+]1CCCOCC(F)(F)F ZINC000101731391 700470846 /nfs/dbraw/zinc/47/08/46/700470846.db2.gz HUMVXWSJNZQMGZ-ZDUSSCGKSA-N 1 0 354.413 3.335 10 0 FGAERO CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000104832588 700496994 /nfs/dbraw/zinc/49/69/94/700496994.db2.gz SBVQWSFLVQPJPU-AWEZNQCLSA-N 1 0 355.523 3.105 10 0 FGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC[C@H](O)c1cc2ccccc2s1 ZINC000125211401 700732458 /nfs/dbraw/zinc/73/24/58/700732458.db2.gz QJGNWXGOAZVXQM-HOTGVXAUSA-N 1 0 363.527 3.210 10 0 FGAERO CCc1nc(CC[NH2+]C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cs1 ZINC000130064582 700795668 /nfs/dbraw/zinc/79/56/68/700795668.db2.gz YPTSAMIDLLAZGO-AWEZNQCLSA-N 1 0 353.532 3.485 10 0 FGAERO C[C@@H]([NH2+]C[C@H](O)CN1CCc2ccccc2C1)c1ccc(Cl)s1 ZINC000151776580 704937566 /nfs/dbraw/zinc/93/75/66/704937566.db2.gz ICVSGUOCKYWDAO-CJNGLKHVSA-N 1 0 350.915 3.471 10 0 FGAERO CCOCC[N@@H+]1CCN(Cn2c3ccccc3n(C)c2=S)C[C@H]1CC ZINC000152610731 704967988 /nfs/dbraw/zinc/96/79/88/704967988.db2.gz ZNOIRHDVGNAPBO-MRXNPFEDSA-N 1 0 362.543 3.099 10 0 FGAERO [NH3+][C@H]1CCCN(C(=O)C2(c3cccc(Br)c3)CCCC2)C1 ZINC000157953729 705168736 /nfs/dbraw/zinc/16/87/36/705168736.db2.gz LLCOWBBSEQOCRA-HNNXBMFYSA-N 1 0 351.288 3.211 10 0 FGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(N(C)C)c(Cl)c1 ZINC000175374997 705544932 /nfs/dbraw/zinc/54/49/32/705544932.db2.gz UQQYBOLVJMUTPZ-HUUCEWRRSA-N 1 0 350.894 3.497 10 0 FGAERO C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc(SC(C)(C)C)cc2)C[C@@H]1C ZINC000177545318 705627997 /nfs/dbraw/zinc/62/79/97/705627997.db2.gz SPPXVFROZWLWAZ-LSDHHAIUSA-N 1 0 365.543 3.496 10 0 FGAERO CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)[C@H]1CCC[NH2+]C1 ZINC000177906198 705645287 /nfs/dbraw/zinc/64/52/87/705645287.db2.gz LOUSUYIVMYINNU-LBPRGKRZSA-N 1 0 372.296 3.170 10 0 FGAERO Clc1ccc(C2=NO[C@@H](C[NH+]3CCC(Cn4cccn4)CC3)C2)cc1 ZINC000179609078 705706968 /nfs/dbraw/zinc/70/69/68/705706968.db2.gz SBGLUXZBNURBEO-GOSISDBHSA-N 1 0 358.873 3.442 10 0 FGAERO COc1ccc2nc(Cl)c(C(=O)N[C@H]3C[N@@H+](C(C)C)C[C@@H]3C)cc2c1 ZINC000180244198 705733029 /nfs/dbraw/zinc/73/30/29/705733029.db2.gz NKJBMGSMRPFXHC-SJCJKPOMSA-N 1 0 361.873 3.355 10 0 FGAERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000181326728 705786260 /nfs/dbraw/zinc/78/62/60/705786260.db2.gz CGECZWWQWVOUJF-HOCLYGCPSA-N 1 0 357.420 3.491 10 0 FGAERO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)COCc2ccc(Cl)cc2)c1 ZINC000182363115 705837155 /nfs/dbraw/zinc/83/71/55/705837155.db2.gz MVFVDEMGEOGLQJ-CZUORRHYSA-N 1 0 365.857 3.283 10 0 FGAERO COC(=O)c1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccc(Cl)s2)cc1 ZINC000183000257 705872850 /nfs/dbraw/zinc/87/28/50/705872850.db2.gz ZMBKWJNTEVWSAD-AAEUAGOBSA-N 1 0 369.870 3.279 10 0 FGAERO C[C@@H]([NH2+][C@@H](CO)c1ccccc1)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000183641831 705895433 /nfs/dbraw/zinc/89/54/33/705895433.db2.gz MYMDDTGDVVGFCS-ACJLOTCBSA-N 1 0 364.848 3.149 10 0 FGAERO C[C@@H]([NH2+][C@H](CO)c1ccccc1)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000183641866 705895565 /nfs/dbraw/zinc/89/55/65/705895565.db2.gz MYMDDTGDVVGFCS-FZKQIMNGSA-N 1 0 364.848 3.149 10 0 FGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N1Cc2cccc(Br)c2C1 ZINC000185809551 712702592 /nfs/dbraw/zinc/70/25/92/712702592.db2.gz FTSAJAIGLXPOBP-LBPRGKRZSA-N 1 0 354.292 3.205 10 0 FGAERO COC(=O)c1sccc1C[NH2+][C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000191916157 712846869 /nfs/dbraw/zinc/84/68/69/712846869.db2.gz AGVAZNGBEUVCQV-GXTWGEPZSA-N 1 0 368.499 3.318 10 0 FGAERO O=C(NCc1ccoc1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000193218942 712885397 /nfs/dbraw/zinc/88/53/97/712885397.db2.gz JVOYVBNTFWLXET-HZPDHXFCSA-N 1 0 352.356 3.206 10 0 FGAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 ZINC000193496036 712893335 /nfs/dbraw/zinc/89/33/35/712893335.db2.gz SEGVKXRFLUETND-OCCSQVGLSA-N 1 0 358.463 3.057 10 0 FGAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C1(c2ccc(Br)cc2)CCC1 ZINC000193581269 712896439 /nfs/dbraw/zinc/89/64/39/712896439.db2.gz XTWPRGFNRQYOBM-SWLSCSKDSA-N 1 0 351.288 3.128 10 0 FGAERO CCCCOC[C@@H](O)C[NH+]1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000195176351 713548105 /nfs/dbraw/zinc/54/81/05/713548105.db2.gz SXSOBNIUWAVCDJ-OALUTQOASA-N 1 0 355.906 3.263 10 0 FGAERO CC(C)Oc1cc(Br)cc(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000236696005 713582827 /nfs/dbraw/zinc/58/28/27/713582827.db2.gz ZDLOWVRCJQWHMG-IAQYHMDHSA-N 1 0 355.276 3.094 10 0 FGAERO CCOc1ccc(-c2nc(C)c(C(=O)N[C@H]3CCC[C@@H]3C[NH3+])s2)cc1 ZINC000236867255 713584594 /nfs/dbraw/zinc/58/45/94/713584594.db2.gz JOWJXMHPXWNTEJ-ZBFHGGJFSA-N 1 0 359.495 3.374 10 0 FGAERO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@H](C)[C@H]1CCCO1 ZINC000247136565 713636489 /nfs/dbraw/zinc/63/64/89/713636489.db2.gz RZAOOHQSOHTVRO-LALPHHSUSA-N 1 0 360.376 3.459 10 0 FGAERO C[C@H](C(=O)NCc1cccs1)[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000247689996 713643194 /nfs/dbraw/zinc/64/31/94/713643194.db2.gz VSJPTJPYZOAWTI-SZVBFZGTSA-N 1 0 358.507 3.341 10 0 FGAERO O[C@H](C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1)c1ccc(F)c(Br)c1 ZINC000248585330 713654145 /nfs/dbraw/zinc/65/41/45/713654145.db2.gz XMSPGGSHTHVAGR-IAOVAPTHSA-N 1 0 372.278 3.249 10 0 FGAERO CC(C)(CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1ccc(Br)cc1 ZINC000261773340 713714216 /nfs/dbraw/zinc/71/42/16/713714216.db2.gz OPGROZTYNSYIAJ-IUODEOHRSA-N 1 0 353.304 3.218 10 0 FGAERO Brc1cccc(-c2noc(-c3ccn([C@H]4CCC[NH2+]C4)n3)n2)c1 ZINC000261867365 713715400 /nfs/dbraw/zinc/71/54/00/713715400.db2.gz UXDSVPODRONXDJ-ZDUSSCGKSA-N 1 0 374.242 3.287 10 0 FGAERO C[C@@H]1CN(Cc2cnc(-c3ccc(Br)cc3)s2)C[C@H]1[NH3+] ZINC000262144681 713720024 /nfs/dbraw/zinc/72/00/24/713720024.db2.gz ZLQDIMNSNXGPPI-QMTHXVAHSA-N 1 0 352.301 3.352 10 0 FGAERO COC[C@H]([NH3+])C(=O)N(Cc1ccc(-c2cccc(F)c2)s1)C(C)C ZINC000262558568 713727366 /nfs/dbraw/zinc/72/73/66/713727366.db2.gz QDZUQNPXUCVVIO-INIZCTEOSA-N 1 0 350.459 3.265 10 0 FGAERO CSc1ccc([C@H](C)[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)cc1 ZINC000702765700 722410617 /nfs/dbraw/zinc/41/06/17/722410617.db2.gz DHNXXTFPBRAAHA-LXZKKBNFSA-N 1 0 366.527 3.287 10 0 FGAERO C[C@@H]([NH2+]C[C@@H](C)CC1(C)OCCO1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000715968897 722416666 /nfs/dbraw/zinc/41/66/66/722416666.db2.gz WLKAZJZQSXBEIV-ARFHVFGLSA-N 1 0 356.507 3.011 10 0 FGAERO C[C@H]([NH2+][C@H](C1CC1)[C@@H]1CCCOC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000724007137 722420771 /nfs/dbraw/zinc/42/07/71/722420771.db2.gz IKZTWICRVSSQBM-DZOHQFGASA-N 1 0 352.519 3.427 10 0 FGAERO C[N@H+](C[C@H]1CC12CCN(C(=O)/C=C\c1ccnc(Cl)c1)CC2)C1CC1 ZINC000886066020 739213518 /nfs/dbraw/zinc/21/35/18/739213518.db2.gz KKVDNSHQLQOQKB-SVERHTFXSA-N 1 0 359.901 3.471 10 0 FGAERO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1cnc2c(cnn2C(C)C)c1 ZINC000190423393 203803086 /nfs/dbraw/zinc/80/30/86/203803086.db2.gz QVJAWSNNVFYLSM-ROUUACIJSA-N 1 0 368.485 3.239 10 0 FGAERO CCOc1ccc([C@]2(O)C[N+](c3ccccc3OC)=C3CCCCN32)cc1 ZINC000002966231 204070988 /nfs/dbraw/zinc/07/09/88/204070988.db2.gz PUBOKXZUHVPZRW-JOCHJYFZSA-N 1 0 367.469 3.354 10 0 FGAERO CCOC(=O)C1(c2ccccc2)CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000005650539 204219121 /nfs/dbraw/zinc/21/91/21/204219121.db2.gz DBDXZFAMJLGFGD-HXUWFJFHSA-N 1 0 353.462 3.317 10 0 in-man FGAERO CN(C(=O)Cc1ccccc1)[C@@H]1CC[C@@]2(CCCO2)C[C@H]1[NH+]1CCCC1 ZINC000007997472 204313722 /nfs/dbraw/zinc/31/37/22/204313722.db2.gz PGZRDDYTKFZSFR-SJBKTWHCSA-N 1 0 356.510 3.254 10 0 FGAERO O=C(CCC1CC[NH+](Cc2cc3c(cc2Cl)OCO3)CC1)NC1CC1 ZINC000012055043 204427066 /nfs/dbraw/zinc/42/70/66/204427066.db2.gz OTUROHZBWBYWFC-UHFFFAOYSA-N 1 0 364.873 3.340 10 0 FGAERO Cc1ccc(Cl)cc1Nc1ncnc(N(C)C2CC[NH+](C)CC2)c1N ZINC000040705085 205077757 /nfs/dbraw/zinc/07/77/57/205077757.db2.gz JOEZGBZAEXIZNU-UHFFFAOYSA-N 1 0 360.893 3.295 10 0 FGAERO Cc1cc(Br)oc1C(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000044364087 205108071 /nfs/dbraw/zinc/10/80/71/205108071.db2.gz HIVOQARZKCAWJT-CYBMUJFWSA-N 1 0 351.244 3.383 10 0 FGAERO C[C@H](CC(N)=O)C[C@@H]([NH3+])c1cc(Br)ccc1Br ZINC000061829601 205288701 /nfs/dbraw/zinc/28/87/01/205288701.db2.gz QDTQNGSHNNZBMG-WRWORJQWSA-N 1 0 364.081 3.113 10 0 FGAERO COCCn1cncc1C[NH2+]Cc1cnc(Nc2ccccc2F)s1 ZINC000063881588 205296004 /nfs/dbraw/zinc/29/60/04/205296004.db2.gz HXBZNMKKETVYMQ-UHFFFAOYSA-N 1 0 361.446 3.159 10 0 FGAERO C[N@@H+]1CCCC[C@@H]1CCNC(=O)c1ccc(N2Cc3ccccc3C2)nc1 ZINC000067643655 205377652 /nfs/dbraw/zinc/37/76/52/205377652.db2.gz DOQPGNFHKMVKKQ-HXUWFJFHSA-N 1 0 364.493 3.206 10 0 FGAERO Cn1c2ccc(C[NH3+])cc2nc1-c1csc(I)c1 ZINC000098096535 205934776 /nfs/dbraw/zinc/93/47/76/205934776.db2.gz CMBXTAJRHDKRPE-UHFFFAOYSA-N 1 0 369.231 3.365 10 0 FGAERO CCCOc1c(Br)cc(C[NH2+]CCN(C)CC)cc1OC ZINC000049938262 257345335 /nfs/dbraw/zinc/34/53/35/257345335.db2.gz CMFWFBCPKFYBLA-UHFFFAOYSA-N 1 0 359.308 3.288 10 0 FGAERO C[C@H](N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1nnc2n1CCCC2 ZINC000249037895 257371294 /nfs/dbraw/zinc/37/12/94/257371294.db2.gz TWZWGQFRQRZRFJ-FFGOWVMKSA-N 1 0 365.525 3.461 10 0 FGAERO C[NH+](C)CC1(CNc2cnn(-c3ccccc3)c(=O)c2Cl)CCCC1 ZINC000302145553 257385143 /nfs/dbraw/zinc/38/51/43/257385143.db2.gz HNXSEGVUGXPTBE-UHFFFAOYSA-N 1 0 360.889 3.420 10 0 FGAERO C[NH+](C)CCO[C@H]1CC2(CCN(c3cnccn3)CC2)c2ccccc21 ZINC000096079150 132218712 /nfs/dbraw/zinc/21/87/12/132218712.db2.gz WZDGOGNPDGQWMF-IBGZPJMESA-N 1 0 352.482 3.038 10 0 FGAERO CC[N@H+](C)[C@@H]1c2ccccc2C2(CCN(c3ccc(Cl)nn3)CC2)[C@H]1O ZINC000023379792 132374119 /nfs/dbraw/zinc/37/41/19/132374119.db2.gz ITDLCWXLOAQKJS-MOPGFXCFSA-N 1 0 372.900 3.036 10 0 FGAERO CC[NH+]1CCN(c2ccc(N)cc2NC(=O)c2ccccc2Cl)CC1 ZINC000226258732 132374713 /nfs/dbraw/zinc/37/47/13/132374713.db2.gz HLMXDNVPGGIUKO-UHFFFAOYSA-N 1 0 358.873 3.316 10 0 FGAERO [NH3+][C@H]1CCCN(c2nccn3nc(-c4cccc(C(F)(F)F)c4)cc23)C1 ZINC000070459262 136138447 /nfs/dbraw/zinc/13/84/47/136138447.db2.gz PZXGSGKKEINTFL-AWEZNQCLSA-N 1 0 361.371 3.343 10 0 FGAERO COc1ccc2c(c1)n(CC[NH3+])c(=O)n2C(=O)[C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000068247546 493783963 /nfs/dbraw/zinc/78/39/63/493783963.db2.gz ZGTYTFYRCIRWBL-HYVNUMGLSA-N 1 0 373.497 3.119 10 0 FGAERO COc1ccc(OC)c([C@H](C)NC(=O)N[C@H](C[NH+](C)C)c2ccccc2)c1 ZINC000048153096 493793881 /nfs/dbraw/zinc/79/38/81/493793881.db2.gz MYSZOSCABSGIKA-HNAYVOBHSA-N 1 0 371.481 3.367 10 0 FGAERO Cc1ccccc1C(=O)N[C@@H](C(=O)NCCC[N@@H+]1CCCC[C@@H]1C)C(C)C ZINC000057997124 493819962 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COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc3c(c2)OCCO3)cc1 ZINC000052658448 494051415 /nfs/dbraw/zinc/05/14/15/494051415.db2.gz HAQOHLRKBDAGJB-KGLIPLIRSA-N 1 0 356.422 3.144 10 0 FGAERO [NH2+]=C(Nc1ccccc1I)N[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000034362824 494065864 /nfs/dbraw/zinc/06/58/64/494065864.db2.gz DQLPGROTTLXECV-CWSCBRNRSA-N 1 0 355.223 3.416 10 0 FGAERO COc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(F)c(F)c2)c(OC)c1 ZINC000008248306 494078394 /nfs/dbraw/zinc/07/83/94/494078394.db2.gz GECVCCMJTMFKLN-LLVKDONJSA-N 1 0 350.365 3.271 10 0 FGAERO C[NH+](C)CCN(Cc1ccccc1)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000053961792 494178563 /nfs/dbraw/zinc/17/85/63/494178563.db2.gz ACTNLRLIMRTIAB-LJQANCHMSA-N 1 0 353.466 3.284 10 0 FGAERO O=C(c1ccoc1)N1CCN(c2nc(C[NH+]3CCCCCC3)cs2)CC1 ZINC000065200674 494178606 /nfs/dbraw/zinc/17/86/06/494178606.db2.gz QUFHKRWWGKUTAD-UHFFFAOYSA-N 1 0 374.510 3.075 10 0 FGAERO COc1cccc(CN2CCC[C@]3(CC[N@@H+](C4CCSCC4)C3)C2=O)c1 ZINC000012111941 494203982 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FGAERO C[C@H](NC(=O)NCCC[N@@H+]1CCCC[C@H]1C)c1cccc(-n2ccnc2)c1 ZINC000073530130 494384206 /nfs/dbraw/zinc/38/42/06/494384206.db2.gz ZGLXWQHZNIUAPE-MSOLQXFVSA-N 1 0 369.513 3.497 10 0 FGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N(Cc1cccs1)C[C@H]1CCCO1 ZINC000079253554 494426012 /nfs/dbraw/zinc/42/60/12/494426012.db2.gz YPVCKNXJLSIQJE-JKSUJKDBSA-N 1 0 353.532 3.169 10 0 FGAERO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000073828115 494436026 /nfs/dbraw/zinc/43/60/26/494436026.db2.gz LPYGRYBAOWMBAS-KURKYZTESA-N 1 0 369.513 3.353 10 0 FGAERO CC(C)c1ccc([C@H](C)[NH2+][C@H](C)C(=O)NC(=O)NCC(F)(F)F)cc1 ZINC000073883108 494442274 /nfs/dbraw/zinc/44/22/74/494442274.db2.gz XSYNIMGASOYCDP-NWDGAFQWSA-N 1 0 359.392 3.237 10 0 FGAERO CC(C)n1cc(Br)cc1C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000090869960 494499816 /nfs/dbraw/zinc/49/98/16/494499816.db2.gz UFRBMNFBOKPDDP-GXTWGEPZSA-N 1 0 354.292 3.140 10 0 FGAERO CC[N@@H+]1CCC[C@@H]1CNc1ncnc2onc(-c3ccccc3OC)c21 ZINC000021650672 494502170 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FGAERO CCOCC[N@@H+]1CCN(C(=O)Nc2cc(OC)ccc2Cl)C[C@H]1CC ZINC000131665008 494691108 /nfs/dbraw/zinc/69/11/08/494691108.db2.gz AGUKQRGIMRIHSC-CQSZACIVSA-N 1 0 369.893 3.313 10 0 FGAERO Cc1c(C[NH2+]Cc2nc(C(C)(C)C)cs2)c2ccccc2n1CC(N)=O ZINC000067983536 494717408 /nfs/dbraw/zinc/71/74/08/494717408.db2.gz WFXAPVZYHCEICS-UHFFFAOYSA-N 1 0 370.522 3.479 10 0 FGAERO C[C@H](NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C)c1ccc(-n2cccn2)cc1 ZINC000075348308 494738089 /nfs/dbraw/zinc/73/80/89/494738089.db2.gz BEYVLCQMGRZHOK-LAUBAEHRSA-N 1 0 362.477 3.222 10 0 FGAERO C[C@@H](c1ccncc1)[N@H+](C)C[C@H](O)COc1cccc(Br)c1 ZINC000091990680 494747360 /nfs/dbraw/zinc/74/73/60/494747360.db2.gz YDUNXKSOVZESSS-BBRMVZONSA-N 1 0 365.271 3.277 10 0 FGAERO Cc1noc([C@H](C)N2CC[NH+](CCCSCc3ccccc3)CC2)n1 ZINC000131840797 494749252 /nfs/dbraw/zinc/74/92/52/494749252.db2.gz DVKYROWRSCGURL-INIZCTEOSA-N 1 0 360.527 3.380 10 0 FGAERO Cc1noc([C@@H](C)N2CC[NH+](CCCSCc3ccccc3)CC2)n1 ZINC000131840599 494749456 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COc1ccc(-c2cc(C(=O)N3CCO[C@H](C[NH+](C)C)C3)sc2C)cc1 ZINC000116797667 494854528 /nfs/dbraw/zinc/85/45/28/494854528.db2.gz NJOHMZQTKTUNBP-QGZVFWFLSA-N 1 0 374.506 3.135 10 0 FGAERO Cc1ccc(N2CCC[N@H+](Cc3c(F)cccc3N3CCCC3)CC2)nn1 ZINC000093272315 494854708 /nfs/dbraw/zinc/85/47/08/494854708.db2.gz AEPFQXJTKGIAPL-UHFFFAOYSA-N 1 0 369.488 3.237 10 0 FGAERO C[C@H](NC(=O)N1CCO[C@@H](C[NH+](C)C)C1)c1ccc(Cl)c(Cl)c1 ZINC000117025620 494885557 /nfs/dbraw/zinc/88/55/57/494885557.db2.gz PNINKJAXEHPVEC-AAEUAGOBSA-N 1 0 360.285 3.026 10 0 FGAERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3cnc(C)n3-c3ccccc3)C2)n1 ZINC000121964749 494899862 /nfs/dbraw/zinc/89/98/62/494899862.db2.gz IVWAYXZWCFTRNM-LJQANCHMSA-N 1 0 364.497 3.301 10 0 FGAERO CC[C@H]1CN(C(=O)N[C@@H](C)c2cc(C)sc2C)CC[N@@H+]1CCOC ZINC000117478253 494925294 /nfs/dbraw/zinc/92/52/94/494925294.db2.gz CCHFXOZFDYHWJP-HOCLYGCPSA-N 1 0 353.532 3.178 10 0 FGAERO CCC[C@@H](C(=O)N[C@H](C)c1ccc(NC(=O)N(CC)CC)cc1)[NH+](C)C ZINC000094013558 494939350 /nfs/dbraw/zinc/93/93/50/494939350.db2.gz LLRINKPKPMEMBW-QAPCUYQASA-N 1 0 362.518 3.468 10 0 FGAERO CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+]Cc1cnc(Cl)nc1Cl ZINC000095085801 494959774 /nfs/dbraw/zinc/95/97/74/494959774.db2.gz NTEVFLGZFVKISE-LLVKDONJSA-N 1 0 361.273 3.273 10 0 FGAERO CC(C)CN(CC[NH+](C)C)C(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000122446960 494976945 /nfs/dbraw/zinc/97/69/45/494976945.db2.gz AHQUDFTWMWRFBG-MRXNPFEDSA-N 1 0 359.436 3.389 10 0 FGAERO Cc1cc(C)n(C[C@H]2CN(Cc3ccc(OCC(F)F)cc3)CCO2)n1 ZINC000122550391 494992528 /nfs/dbraw/zinc/99/25/28/494992528.db2.gz OIZLZGYYQJTHOD-GOSISDBHSA-N 1 0 365.424 3.045 10 0 FGAERO CC[NH+](CC)[C@@H](C(=O)N1CCO[C@@H](c2nccs2)C1)c1ccccc1 ZINC000110873014 495015836 /nfs/dbraw/zinc/01/58/36/495015836.db2.gz KJXUVMFCQXAQDV-IAGOWNOFSA-N 1 0 359.495 3.126 10 0 FGAERO c1csc(C[NH+]2CCC(OCc3nc(-c4ccncc4)no3)CC2)c1 ZINC000097097167 495023240 /nfs/dbraw/zinc/02/32/40/495023240.db2.gz RMRKUBJYIRCRLI-UHFFFAOYSA-N 1 0 356.451 3.374 10 0 FGAERO CCc1ccc(Cl)c(CC)c1NC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000118793707 495036819 /nfs/dbraw/zinc/03/68/19/495036819.db2.gz WLPOBQMJMBMGBW-CQSZACIVSA-N 1 0 353.894 3.259 10 0 FGAERO CCc1nccn1[C@H]1CCC[N@H+](Cc2ccc(O[C@@H](C)C(=O)OC)cc2)C1 ZINC000122947698 495057542 /nfs/dbraw/zinc/05/75/42/495057542.db2.gz WDTLZJVYEKSQLY-WMZOPIPTSA-N 1 0 371.481 3.223 10 0 FGAERO CSc1ccc([C@H](C)[NH2+]C[C@H](O)CN2CCc3ccccc3C2)cc1 ZINC000098144428 495061809 /nfs/dbraw/zinc/06/18/09/495061809.db2.gz XILVYKAWENMOKK-JXFKEZNVSA-N 1 0 356.535 3.478 10 0 FGAERO CCCC(=O)N[C@@H]1CCCN([C@@H](C)C(=O)Nc2cccc(SC)c2)C1 ZINC000101564020 495077078 /nfs/dbraw/zinc/07/70/78/495077078.db2.gz BJWVLAWRJYZLNI-GOEBONIOSA-N 1 0 363.527 3.116 10 0 FGAERO COC(=O)[C@@H]1CCC[N@H+](Cc2cc(OC)ccc2OCc2ccccn2)C1 ZINC000123202553 495096031 /nfs/dbraw/zinc/09/60/31/495096031.db2.gz ZMIBOIUAHQRHQE-MRXNPFEDSA-N 1 0 370.449 3.054 10 0 FGAERO Cc1c([C@H](C)[NH2+]C[C@H](C)N2CCOCC2)cnn1-c1cccc(Cl)c1 ZINC000123234510 495101428 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ZINC000183729073 496095059 /nfs/dbraw/zinc/09/50/59/496095059.db2.gz GEDHBQYIUAGNAN-QFBILLFUSA-N 1 0 373.541 3.057 10 0 FGAERO C[C@@H]1C[C@H](C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)CC(C)(C)C1 ZINC000183729018 496095183 /nfs/dbraw/zinc/09/51/83/496095183.db2.gz GEDHBQYIUAGNAN-APWZRJJASA-N 1 0 373.541 3.057 10 0 FGAERO C[C@@H]1C[C@@H](C(=O)N2CCN(c3ccc(C[NH+](C)C)cn3)CC2)CC(C)(C)C1 ZINC000183788950 496117645 /nfs/dbraw/zinc/11/76/45/496117645.db2.gz OXCLJYHXYRCJTD-IEBWSBKVSA-N 1 0 372.557 3.254 10 0 FGAERO COc1ccc([C@@H](C)NC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)cc1OC ZINC000152355978 496125394 /nfs/dbraw/zinc/12/53/94/496125394.db2.gz HEMAKUCZMSIFAX-NVXWUHKLSA-N 1 0 363.502 3.184 10 0 FGAERO Cc1c(NC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)cnn1-c1ccccc1 ZINC000152414850 496144635 /nfs/dbraw/zinc/14/46/35/496144635.db2.gz JKJBLFLKCOPYRW-GOSISDBHSA-N 1 0 355.486 3.423 10 0 FGAERO C[NH+](C)Cc1cc(CNC(=O)N[C@H]2CCOc3ccccc32)ccc1F ZINC000172077329 496155290 /nfs/dbraw/zinc/15/52/90/496155290.db2.gz KBHSSZGKCOGJDY-SFHVURJKSA-N 1 0 357.429 3.210 10 0 FGAERO CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)c1cc(C)n(CC(F)(F)F)c1C ZINC000177711426 496168383 /nfs/dbraw/zinc/16/83/83/496168383.db2.gz ASBHJPRZYNRTDZ-OAHLLOKOSA-N 1 0 359.436 3.266 10 0 FGAERO C[C@H](NC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1)c1cccs1 ZINC000180859263 496174776 /nfs/dbraw/zinc/17/47/76/496174776.db2.gz UXRIZBQUHQQFMR-INIZCTEOSA-N 1 0 365.543 3.343 10 0 FGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc(Cn2nc(C)cc2C)c1 ZINC000174960596 496183362 /nfs/dbraw/zinc/18/33/62/496183362.db2.gz PUNQPYCQCBYYAO-NHCUHLMSSA-N 1 0 366.509 3.247 10 0 FGAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC[C@H](c1ccccc1)C(C)(C)CO ZINC000152560342 496188353 /nfs/dbraw/zinc/18/83/53/496188353.db2.gz GVAXSWJWZJRLQE-NHCUHLMSSA-N 1 0 368.521 3.078 10 0 FGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1nn(-c2ccccc2)c2c1CCC2 ZINC000174986431 496195036 /nfs/dbraw/zinc/19/50/36/496195036.db2.gz SZOWHPCORIMMJO-FUHWJXTLSA-N 1 0 364.493 3.060 10 0 FGAERO 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FGAERO C[NH2+][C@@H](C)CNC(=O)[C@@H](Oc1ccc(F)cc1Cl)c1ccccc1 ZINC000261720240 713713056 /nfs/dbraw/zinc/71/30/56/713713056.db2.gz KRSUNIOXNSYYRV-SJCJKPOMSA-N 1 0 350.821 3.323 10 0 FGAERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000381135380 713978325 /nfs/dbraw/zinc/97/83/25/713978325.db2.gz AMECUPFXUQDWGK-ZDUSSCGKSA-N 1 0 361.829 3.499 10 0 FGAERO O[C@H]1CCC[C@H]1C[NH2+]Cc1cc(Br)cc(Br)c1 ZINC000394543859 713991041 /nfs/dbraw/zinc/99/10/41/713991041.db2.gz YCPXHSOFJSGVIF-GWCFXTLKSA-N 1 0 363.093 3.462 10 0 FGAERO CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](C[NH2+][C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000702773655 722410891 /nfs/dbraw/zinc/41/08/91/722410891.db2.gz ZMMHETIDDKQVOA-XKQJLSEDSA-N 1 0 366.889 3.145 10 0 FGAERO Cc1cc([C@H](C)[NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c(C)s1 ZINC000702815613 722411056 /nfs/dbraw/zinc/41/10/56/722411056.db2.gz OZZJDLYLGJTRLV-DUVNUKRYSA-N 1 0 354.516 3.243 10 0 FGAERO Cn1cc(C[NH2+]CC2CC(NC(=O)OC(C)(C)C)C2)c(C(C)(C)C)n1 ZINC000715155690 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FGAERO C[C@]([NH3+])(C(=O)Nc1ccc(I)cc1Cl)C1CC1 ZINC000037615653 205029364 /nfs/dbraw/zinc/02/93/64/205029364.db2.gz ASBKJHJQTXIROE-GFCCVEGCSA-N 1 0 364.614 3.011 10 0 FGAERO COc1ccc(CCn2c3ccc(Cl)cc3nc2CC[NH3+])cc1OC ZINC000040407156 205069127 /nfs/dbraw/zinc/06/91/27/205069127.db2.gz PQGCTYYYFUUWIW-UHFFFAOYSA-N 1 0 359.857 3.451 10 0 FGAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1sc(NC(=O)c2ccco2)cc1C ZINC000041916233 205093177 /nfs/dbraw/zinc/09/31/77/205093177.db2.gz PJHBHTLLLVSZLW-ZDUSSCGKSA-N 1 0 363.483 3.362 10 0 FGAERO C[C@@H]1Sc2ccc(C(=O)N[C@@H](C[NH+](C)C)c3ccccc3)cc2NC1=O ZINC000052555101 205185239 /nfs/dbraw/zinc/18/52/39/205185239.db2.gz BBUJRVJWSLHAJG-GUYCJALGSA-N 1 0 369.490 3.152 10 0 FGAERO Cc1ccc(-c2nc(NCC[NH+]3CCCC3)ncc2-c2cncnc2)cc1 ZINC000065397596 205347494 /nfs/dbraw/zinc/34/74/94/205347494.db2.gz PPKISPIYVIGRIP-UHFFFAOYSA-N 1 0 360.465 3.417 10 0 FGAERO CCc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(C(=O)CCSC)C3)nc1 ZINC000067689083 205383635 /nfs/dbraw/zinc/38/36/35/205383635.db2.gz UDBGOZOGNQIMBW-HXUWFJFHSA-N 1 0 361.555 3.212 10 0 FGAERO O=C(CC[N@@H+]1CCC[C@H](n2cccn2)C1)N[C@@H]1CCCc2ccccc21 ZINC000102409957 257350411 /nfs/dbraw/zinc/35/04/11/257350411.db2.gz PRTSWUPQNGJJKZ-AZUAARDMSA-N 1 0 352.482 3.104 10 0 FGAERO [NH3+]C1CCN(c2nccn3nc(-c4cccc(C(F)(F)F)c4)cc23)CC1 ZINC000070459240 136138448 /nfs/dbraw/zinc/13/84/48/136138448.db2.gz WNUDBFRTIVMYKE-UHFFFAOYSA-N 1 0 361.371 3.343 10 0 FGAERO CCc1cc(N2CCc3[nH]nc(C4CCC4)c3C2)nc(N2CCCC2)[nH+]1 ZINC000023311057 136152652 /nfs/dbraw/zinc/15/26/52/136152652.db2.gz MAZRAZJGJZWZSQ-UHFFFAOYSA-N 1 0 352.486 3.193 10 0 FGAERO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)COc2ccc(Br)cc2)o1 ZINC000037980929 494110374 /nfs/dbraw/zinc/11/03/74/494110374.db2.gz MKLFHQGWWKPEOH-TZMCWYRMSA-N 1 0 354.244 3.441 10 0 FGAERO C[C@H]([NH2+]C[C@@H](O)COCc1ccco1)c1cccc(Br)c1 ZINC000037984647 494110343 /nfs/dbraw/zinc/11/03/43/494110343.db2.gz RYQFEKHWIAHOQI-SWLSCSKDSA-N 1 0 354.244 3.270 10 0 FGAERO CC[N@@H+]1CCC[C@H](NC(=O)N(C)Cc2ccc(SC)c(OC)c2)C1 ZINC000057617736 493779532 /nfs/dbraw/zinc/77/95/32/493779532.db2.gz JEYVXSBNJBHIEI-HNNXBMFYSA-N 1 0 351.516 3.043 10 0 FGAERO CCCOc1ccc(NC(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1Cl ZINC000048124087 493788857 /nfs/dbraw/zinc/78/88/57/493788857.db2.gz BXZHXJJVYQJABU-OAHLLOKOSA-N 1 0 369.893 3.097 10 0 FGAERO COc1ccc(OC)c([C@H](C)NC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)c1 ZINC000048153093 493793900 /nfs/dbraw/zinc/79/39/00/493793900.db2.gz MYSZOSCABSGIKA-KXBFYZLASA-N 1 0 371.481 3.367 10 0 FGAERO O=C(NC1CC[NH+](CCc2c[nH]c3cc(O)ccc23)CC1)c1ccccc1 ZINC000006095774 493951216 /nfs/dbraw/zinc/95/12/16/493951216.db2.gz AVESTIWECYNLTL-UHFFFAOYSA-N 1 0 363.461 3.310 10 0 FGAERO Cc1nn(C)cc1[C@@H](C)NC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000069305378 493953509 /nfs/dbraw/zinc/95/35/09/493953509.db2.gz IIAJKYDWFUFKHS-APWZRJJASA-N 1 0 369.513 3.143 10 0 FGAERO Cc1cccc(N2CC[NH+](CCCCNC(=O)N[C@H](C)C(C)C)CC2)c1 ZINC000060956275 493960853 /nfs/dbraw/zinc/96/08/53/493960853.db2.gz UXTHZOQSZIULBC-LJQANCHMSA-N 1 0 360.546 3.241 10 0 FGAERO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCO2)C(=O)Nc1cccnc1Cl ZINC000052658465 494051352 /nfs/dbraw/zinc/05/13/52/494051352.db2.gz UNGPMJXOWKJUEP-NWDGAFQWSA-N 1 0 361.829 3.184 10 0 FGAERO COc1ccc(OCc2ccccn2)c(C[NH2+]C[C@H]2CCCC[C@H]2O)c1 ZINC000077465666 494088404 /nfs/dbraw/zinc/08/84/04/494088404.db2.gz DYJHRYHDIQTRLK-OXQOHEQNSA-N 1 0 356.466 3.310 10 0 FGAERO C[C@@H](NC(=O)Nc1ccccc1)C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000053302514 494115379 /nfs/dbraw/zinc/11/53/79/494115379.db2.gz GHUDMNITGKCVJR-BRWVUGGUSA-N 1 0 374.529 3.069 10 0 FGAERO C[C@H](NC(=O)Nc1ccccc1)C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000064800003 494149815 /nfs/dbraw/zinc/14/98/15/494149815.db2.gz GHUDMNITGKCVJR-BBWFWOEESA-N 1 0 374.529 3.069 10 0 FGAERO O=c1[nH]c(CC[N@H+]2CCC[C@H]2C[C@H](O)c2ccccc2)nc2ccccc21 ZINC000072867471 494271413 /nfs/dbraw/zinc/27/14/13/494271413.db2.gz ISRFIIHDSYVERX-PXNSSMCTSA-N 1 0 363.461 3.054 10 0 FGAERO O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)[C@@H]1COc2ccccc21 ZINC000078680810 494342910 /nfs/dbraw/zinc/34/29/10/494342910.db2.gz XTGFOTOXXDPYPO-UYAOXDASSA-N 1 0 350.462 3.334 10 0 FGAERO CCOC(=O)N1CCC([N@@H+]2CCc3onc(-c4ccccc4F)c3C2)CC1 ZINC000019148695 494436659 /nfs/dbraw/zinc/43/66/59/494436659.db2.gz WQRGWCACZAODDB-UHFFFAOYSA-N 1 0 373.428 3.460 10 0 FGAERO C[C@@H](CNC(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1)[NH+]1CCC(C)CC1 ZINC000073897948 494443972 /nfs/dbraw/zinc/44/39/72/494443972.db2.gz RLQXHCNXUDOVJU-ROUUACIJSA-N 1 0 369.513 3.353 10 0 FGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCc1ccc(Br)s1 ZINC000079495624 494464654 /nfs/dbraw/zinc/46/46/54/494464654.db2.gz LFHVSNOZKHVDBH-NSHDSACASA-N 1 0 362.337 3.286 10 0 FGAERO CNC(=O)[C@@H]1C[C@H]([NH2+]C2CCCCCC2)CN1Cc1ccccc1Cl ZINC000020293713 494469868 /nfs/dbraw/zinc/46/98/68/494469868.db2.gz OOFJNDUEAVWEBW-HKUYNNGSSA-N 1 0 363.933 3.341 10 0 FGAERO COc1cc2nc(C[N@@H+]3CCC[C@H]4CCCC[C@@H]43)[nH]c(=O)c2cc1OC ZINC000067132621 494480906 /nfs/dbraw/zinc/48/09/06/494480906.db2.gz UUVHZEQOELNTMD-CJNGLKHVSA-N 1 0 357.454 3.095 10 0 FGAERO CC[N@H+](Cc1ccc(-c2nc(COC)cc(=O)[nH]2)cc1)Cc1cccnc1 ZINC000023541455 494571005 /nfs/dbraw/zinc/57/10/05/494571005.db2.gz PDHNUHWHYOEQEL-UHFFFAOYSA-N 1 0 364.449 3.000 10 0 FGAERO COC(=O)[C@@H]1CCN(C(=O)OC)[C@@H](C[NH+]2C(C)(C)CCCC2(C)C)C1 ZINC000115751571 494609732 /nfs/dbraw/zinc/60/97/32/494609732.db2.gz IDWNUMJNEMOVJO-HUUCEWRRSA-N 1 0 354.491 3.050 10 0 FGAERO CC(C)COc1ccc([C@H](C)[NH2+][C@H]2CCCN(c3cnn(C)c3)C2=O)cc1 ZINC000131462359 494627695 /nfs/dbraw/zinc/62/76/95/494627695.db2.gz USXNEXHGGUVZIY-JXFKEZNVSA-N 1 0 370.497 3.301 10 0 FGAERO CC[N@H+](Cc1ccc(C(=O)N2CC[C@@H](c3cnn(C)c3)C2)cc1)C(C)C ZINC000116116894 494705898 /nfs/dbraw/zinc/70/58/98/494705898.db2.gz LOISHUZVVUDXSZ-LJQANCHMSA-N 1 0 354.498 3.280 10 0 FGAERO C[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000116289452 494752825 /nfs/dbraw/zinc/75/28/25/494752825.db2.gz KWHACEUWDWUFHW-VQIMIIECSA-N 1 0 371.456 3.293 10 0 FGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000126454782 494756448 /nfs/dbraw/zinc/75/64/48/494756448.db2.gz XGABGCUYVDMEBW-UZLBHIALSA-N 1 0 365.477 3.397 10 0 FGAERO CC(C)[NH+](CCCNC(=O)N[C@H](C)c1ccc2c(c1)OCCO2)C(C)C ZINC000080658441 494756510 /nfs/dbraw/zinc/75/65/10/494756510.db2.gz APVPURJBMYVMNI-MRXNPFEDSA-N 1 0 363.502 3.327 10 0 FGAERO Cn1cc([C@@H]2CC[N@H+](CC(=O)N(Cc3ccccc3)c3ccccc3)C2)cn1 ZINC000116314190 494760442 /nfs/dbraw/zinc/76/04/42/494760442.db2.gz PMHTYHQAIGRRCH-HXUWFJFHSA-N 1 0 374.488 3.443 10 0 FGAERO C[NH+](C)C[C@@H]1CN(c2nc(C3CC3)nc3sc4c(c32)CCCC4)CCO1 ZINC000108952197 494810731 /nfs/dbraw/zinc/81/07/31/494810731.db2.gz BFXGJOKKFRBXSB-CQSZACIVSA-N 1 0 372.538 3.214 10 0 FGAERO CC1(C)C[N@H+](C[C@H](O)COC(c2ccccc2)c2ccccc2)CCO1 ZINC000075701345 494817564 /nfs/dbraw/zinc/81/75/64/494817564.db2.gz JHVVNJPAEQDMHP-FQEVSTJZSA-N 1 0 355.478 3.264 10 0 FGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1c[nH]nc1-c1c(F)cccc1F 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356.514 3.222 10 0 FGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1c[nH]c2cccc(Br)c12 ZINC000127224680 494913060 /nfs/dbraw/zinc/91/30/60/494913060.db2.gz VGDDGNKCHFJQDX-LBPRGKRZSA-N 1 0 364.287 3.487 10 0 FGAERO Cc1nc(C)n(C[C@H]2CCC[N@H+](Cc3cc(-c4ccccc4)n[nH]3)C2)n1 ZINC000122038176 494913662 /nfs/dbraw/zinc/91/36/62/494913662.db2.gz RGVGGSLJIADDPO-KRWDZBQOSA-N 1 0 350.470 3.197 10 0 FGAERO CSc1nccnc1C[N@H+](C)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095076745 494958814 /nfs/dbraw/zinc/95/88/14/494958814.db2.gz NYOZMFOKBCCRFB-AWEZNQCLSA-N 1 0 366.531 3.277 10 0 FGAERO C[C@H](NC(=O)N1CCO[C@H](C[NH+](C)C)C1)c1cccc(Cl)c1Cl ZINC000118090774 494977148 /nfs/dbraw/zinc/97/71/48/494977148.db2.gz RLGOKQLCMJPPNO-NWDGAFQWSA-N 1 0 360.285 3.026 10 0 FGAERO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)[C@@H]1CCCc2n[nH]cc21 ZINC000133759902 495058236 /nfs/dbraw/zinc/05/82/36/495058236.db2.gz ATRDHDSEGLTCHR-ZWKOTPCHSA-N 1 0 352.482 3.001 10 0 FGAERO C[C@@H](O)C1CC[NH+](C[C@@H](O)COC(c2ccccc2)c2ccccc2)CC1 ZINC000111287484 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FGAERO O=C(NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1)c1cc(F)ccc1F ZINC000115158297 495469163 /nfs/dbraw/zinc/46/91/63/495469163.db2.gz QZWSIDBSBJLUQB-FQEVSTJZSA-N 1 0 374.431 3.140 10 0 FGAERO C[C@H]1CCCN(c2cc(NC[C@@H]3CCN(CC(F)(F)F)C3)ncn2)C1 ZINC000125685192 495481745 /nfs/dbraw/zinc/48/17/45/495481745.db2.gz INVGQJZEJDCEPP-KBPBESRZSA-N 1 0 357.424 3.009 10 0 FGAERO [NH3+]C[C@@H]1CCCCN1C(=O)c1ccc(Sc2ccccc2Cl)nn1 ZINC000131111244 495493972 /nfs/dbraw/zinc/49/39/72/495493972.db2.gz DSIKNWMAROBRAJ-LBPRGKRZSA-N 1 0 362.886 3.235 10 0 FGAERO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000120975531 495495737 /nfs/dbraw/zinc/49/57/37/495495737.db2.gz CMGDGPCHKPVVNK-IBGZPJMESA-N 1 0 374.916 3.049 10 0 FGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1cc2c(cc1Cl)OCCO2 ZINC000176283042 495578898 /nfs/dbraw/zinc/57/88/98/495578898.db2.gz KYPZIHYMXPCPFG-GFCCVEGCSA-N 1 0 353.850 3.059 10 0 FGAERO CC[C@H]1CN(C(=O)Nc2ccc(C(C)=O)c(Cl)c2)CC[N@@H+]1CCOC ZINC000182482982 495579850 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COCc1cccc(C[N@H+](C)C[C@@H](c2cccs2)N2CCOCC2)c1 ZINC000179213780 496713684 /nfs/dbraw/zinc/71/36/84/496713684.db2.gz RZYBRDHUJJFOFB-IBGZPJMESA-N 1 0 360.523 3.400 10 0 FGAERO CCC[C@@H](C(=O)Nc1cc(OC)c(Br)c(OC)c1)[NH+](C)C ZINC000182276308 496725312 /nfs/dbraw/zinc/72/53/12/496725312.db2.gz PRGBCTBSHAWIAR-NSHDSACASA-N 1 0 359.264 3.135 10 0 FGAERO O=C(NCc1cccc(C[NH+]2CCCC2)c1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000182315952 496729421 /nfs/dbraw/zinc/72/94/21/496729421.db2.gz RMQVMXFCURWSOP-HXUWFJFHSA-N 1 0 367.497 3.442 10 0 FGAERO COc1ccc([C@H](C)[C@@H](C)[NH2+][C@H]2CCCN(c3cc(C)nn3C)C2=O)cc1 ZINC000182349197 496730894 /nfs/dbraw/zinc/73/08/94/496730894.db2.gz BSNHYGCIASPJHH-MDZRGWNJSA-N 1 0 370.497 3.014 10 0 FGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cc1nc(-c2ccccc2)oc1C ZINC000247026362 496756331 /nfs/dbraw/zinc/75/63/31/496756331.db2.gz TWNSLMYIZZSYSW-MSOLQXFVSA-N 1 0 353.466 3.278 10 0 FGAERO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(C(=O)Nc2ncccc2C)C1 ZINC000188416246 496782249 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[NH3+][C@@H]1CN(c2ncc(Cl)cc2Br)C[C@H]1c1ccccc1 ZINC000328514838 498868592 /nfs/dbraw/zinc/86/85/92/498868592.db2.gz PCDFDDSWANUJTE-GXTWGEPZSA-N 1 0 352.663 3.429 10 0 FGAERO Cc1c([C@H]2[C@H](C[NH2+][C@H]3[C@@H]4CCCC[C@@H]4C3(C)C)CC(=O)N2C)cnn1C ZINC000328629374 498881112 /nfs/dbraw/zinc/88/11/12/498881112.db2.gz OUDHULFCOUSICS-VQJXYJGWSA-N 1 0 358.530 3.052 10 0 FGAERO O=C([C@@H]1CC12CCOCC2)N(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000328655954 498890892 /nfs/dbraw/zinc/89/08/92/498890892.db2.gz YVPJUBONPDLXQS-DLBZAZTESA-N 1 0 360.523 3.036 10 0 FGAERO C[N@@H+](Cc1cnn2ccccc12)C[C@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000328656969 498892129 /nfs/dbraw/zinc/89/21/29/498892129.db2.gz ZVTOLECJRHIOMI-CYBMUJFWSA-N 1 0 363.387 3.244 10 0 FGAERO COC(=O)c1cc(C[NH2+]C[C@@H]2CCCCN2Cc2ccccc2)n(C)c1C ZINC000379651123 499542300 /nfs/dbraw/zinc/54/23/00/499542300.db2.gz UDNNOXQZRDQKMJ-IBGZPJMESA-N 1 0 369.509 3.264 10 0 FGAERO CC(=O)N(Cc1ccsc1)[C@@H]1CC12CC[NH+](Cc1ccn(C)c1)CC2 ZINC000275864443 519469905 /nfs/dbraw/zinc/46/99/05/519469905.db2.gz XTPGGIRGSWKYGG-LJQANCHMSA-N 1 0 357.523 3.490 10 0 FGAERO CN(C)c1ncc(CN2CCC[C@@H]([N@H+](C)CCc3ccccc3)C2)s1 ZINC000020878119 522339669 /nfs/dbraw/zinc/33/96/69/522339669.db2.gz AFTXRNUIDTVVMM-GOSISDBHSA-N 1 0 358.555 3.348 10 0 FGAERO CCc1cnc(C)nc1N1CCC([NH2+]Cc2ccc(OC)cc2OC)CC1 ZINC000095519640 536019566 /nfs/dbraw/zinc/01/95/66/536019566.db2.gz KCZOTGNBUJMCPT-UHFFFAOYSA-N 1 0 370.497 3.123 10 0 FGAERO CC[C@@](O)(c1ccc(OC)cc1)[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020440723 570742734 /nfs/dbraw/zinc/74/27/34/570742734.db2.gz IZGQZUSXMGTWGK-FCHUYYIVSA-N 1 0 355.478 3.409 10 0 FGAERO C[C@H](NC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1)c1ccc(Cl)s1 ZINC000041758902 695766913 /nfs/dbraw/zinc/76/69/13/695766913.db2.gz SHSGSOULGWYXQU-NSHDSACASA-N 1 0 365.886 3.279 10 0 FGAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000088188040 700376745 /nfs/dbraw/zinc/37/67/45/700376745.db2.gz WPJJUQJIESOQMW-RDDDGLTNSA-N 1 0 351.166 3.262 10 0 FGAERO OCC[NH+]1CCN(c2nc(-c3sccc3Cl)nc3ccccc32)CC1 ZINC000096196289 700459013 /nfs/dbraw/zinc/45/90/13/700459013.db2.gz MXSXOXKRVIZVGO-UHFFFAOYSA-N 1 0 374.897 3.126 10 0 FGAERO CN1CCO[C@H](C[NH2+]Cc2ccc(-c3cccc(Br)c3)o2)C1 ZINC000105471603 700501280 /nfs/dbraw/zinc/50/12/80/700501280.db2.gz FIPJJQPHGYANQE-MRXNPFEDSA-N 1 0 365.271 3.129 10 0 FGAERO C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cc3ccccc3nc2Cl)CC1 ZINC000106126002 700506679 /nfs/dbraw/zinc/50/66/79/700506679.db2.gz QSUQJTUZWWZQKW-HNNXBMFYSA-N 1 0 361.917 3.413 10 0 FGAERO Fc1ccc(C[NH2+][C@@H]2CCCN(c3cccnn3)C2)cc1Br ZINC000109071108 700529954 /nfs/dbraw/zinc/52/99/54/700529954.db2.gz HOLHHOKBBGSPQJ-CYBMUJFWSA-N 1 0 365.250 3.137 10 0 FGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@@H](O)c1cc2ccccc2s1 ZINC000125212030 700732375 /nfs/dbraw/zinc/73/23/75/700732375.db2.gz QJGNWXGOAZVXQM-HZPDHXFCSA-N 1 0 363.527 3.210 10 0 FGAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)CCSc1ccc(Br)cc1 ZINC000158087414 705172084 /nfs/dbraw/zinc/17/20/84/705172084.db2.gz ILYIFKLMBIOSTK-BXUZGUMPSA-N 1 0 357.317 3.175 10 0 FGAERO Clc1ccc(C2=NO[C@H](CN3CCN(c4ccccn4)CC3)C2)cc1 ZINC000159737166 705232531 /nfs/dbraw/zinc/23/25/31/705232531.db2.gz SEKMUUUXIJHSSH-KRWDZBQOSA-N 1 0 356.857 3.050 10 0 FGAERO CC(C)Cn1c(=S)n(CN2CC[N@@H+]3CCC[C@@H]3C2)nc1-c1ccco1 ZINC000172503925 705420918 /nfs/dbraw/zinc/42/09/18/705420918.db2.gz SMMJEZHUIKUZJD-OAHLLOKOSA-N 1 0 361.515 3.068 10 0 FGAERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccnc(Br)c1 ZINC000179713489 705711497 /nfs/dbraw/zinc/71/14/97/705711497.db2.gz IZUJAVKGMSGHRH-ZDUSSCGKSA-N 1 0 362.271 3.094 10 0 FGAERO O=C(C[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1)NC1CCOCC1 ZINC000180060941 705726770 /nfs/dbraw/zinc/72/67/70/705726770.db2.gz WNYOLFIHYZKDDO-KRWDZBQOSA-N 1 0 356.388 3.041 10 0 FGAERO C/C(=C\c1ccccc1Cl)C(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000180352881 705736863 /nfs/dbraw/zinc/73/68/63/705736863.db2.gz RPFBLKJITUGHEC-ASNKMWSDSA-N 1 0 364.917 3.295 10 0 FGAERO C[C@H]([NH2+]CC(=O)N1CCC[C@H](C(F)(F)F)C1)c1ccc(F)c(F)c1 ZINC000181636594 705802514 /nfs/dbraw/zinc/80/25/14/705802514.db2.gz QLWMEIQVOUUVGD-JQWIXIFHSA-N 1 0 350.331 3.416 10 0 FGAERO C[C@H]([NH2+]C[C@H](O)CN1CCc2ccccc2C1)c1cc(Cl)ccc1O ZINC000184991802 712680805 /nfs/dbraw/zinc/68/08/05/712680805.db2.gz LBIYBMUBMMGNPI-KSSFIOAISA-N 1 0 360.885 3.115 10 0 FGAERO CC[C@@H]([NH2+]CCc1nc(C)no1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000188686014 712775347 /nfs/dbraw/zinc/77/53/47/712775347.db2.gz LQGIKPOFFITJNI-HUUCEWRRSA-N 1 0 352.479 3.078 10 0 FGAERO COc1ccc(CN(C)C(=O)[C@H](C)[NH2+][C@H](C)c2cccs2)cc1OC ZINC000193222345 712885593 /nfs/dbraw/zinc/88/55/93/712885593.db2.gz FEUHTLQUQLOFAW-KGLIPLIRSA-N 1 0 362.495 3.463 10 0 FGAERO C[C@H](C[NH3+])c1noc(-c2ccc(Br)cc2Br)n1 ZINC000235453929 713580385 /nfs/dbraw/zinc/58/03/85/713580385.db2.gz NSLAYNAJZKEGBD-ZCFIWIBFSA-N 1 0 361.037 3.324 10 0 FGAERO CCCOc1c(Cl)cc(C(=O)N[C@H]2CCC[C@H]2C[NH3+])cc1OCC ZINC000237016565 713587055 /nfs/dbraw/zinc/58/70/55/713587055.db2.gz BJLPIMGAXZOKJV-WFASDCNBSA-N 1 0 354.878 3.385 10 0 FGAERO [NH3+]C[C@H](NC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1)C1CC1 ZINC000237910160 713598740 /nfs/dbraw/zinc/59/87/40/713598740.db2.gz AMOFAOHODASJLK-KRWDZBQOSA-N 1 0 357.841 3.059 10 0 FGAERO [NH3+][C@H]1CCC[C@@H](C(=O)NCC2(c3ccccc3Br)CC2)C1 ZINC000238013677 713600062 /nfs/dbraw/zinc/60/00/62/713600062.db2.gz BLJNYSFGSZLPDU-OLZOCXBDSA-N 1 0 351.288 3.114 10 0 FGAERO CC[C@H]1CN(C(=O)Nc2ccc(SC(F)F)cc2)CC[N@@H+]1C[C@H](C)O ZINC000245577217 713607383 /nfs/dbraw/zinc/60/73/83/713607383.db2.gz FLQGUBGHFPFREG-JSGCOSHPSA-N 1 0 373.469 3.310 10 0 FGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)C1 ZINC000246468802 713624297 /nfs/dbraw/zinc/62/42/97/713624297.db2.gz QIZRJIVSZLISLW-XFBWCDHKSA-N 1 0 359.297 3.262 10 0 FGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000247495031 713641339 /nfs/dbraw/zinc/64/13/39/713641339.db2.gz XDIBVOUNUDETME-XFBWCDHKSA-N 1 0 374.312 3.055 10 0 FGAERO C/C(=C/c1ccc(Cl)cc1)C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000255306257 713690660 /nfs/dbraw/zinc/69/06/60/713690660.db2.gz PFMQLVQYDMWENL-IRVMHKCDSA-N 1 0 364.917 3.295 10 0 FGAERO C[NH2+][C@@H](C)CNC(=O)c1sc(NC(=O)c2ccccc2Cl)cc1C ZINC000261736801 713713532 /nfs/dbraw/zinc/71/35/32/713713532.db2.gz MDLGVMVLJLGHKO-NSHDSACASA-N 1 0 365.886 3.300 10 0 FGAERO CCCOc1c(Br)cc(CN2C[C@@H](C)[C@@H]([NH3+])C2)cc1OCC ZINC000261931459 713716105 /nfs/dbraw/zinc/71/61/05/713716105.db2.gz CVTXNXXFLMWQSZ-DOMZBBRYSA-N 1 0 371.319 3.416 10 0 FGAERO C[C@H](C[NH2+][C@@H](C)c1ccc2c(c1)OCCO2)N(C)C(=O)OC(C)(C)C ZINC000302456053 713783321 /nfs/dbraw/zinc/78/33/21/713783321.db2.gz PAHGEWCXBLFWEC-KGLIPLIRSA-N 1 0 350.459 3.364 10 0 FGAERO C[C@H](C[NH2+]Cc1c[nH]nc1-c1cccs1)N(C)C(=O)OC(C)(C)C ZINC000305975127 713794129 /nfs/dbraw/zinc/79/41/29/713794129.db2.gz DQOXZCYNWQSFSW-GFCCVEGCSA-N 1 0 350.488 3.483 10 0 FGAERO C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000637902744 717388903 /nfs/dbraw/zinc/38/89/03/717388903.db2.gz UINIHHDZNRWPGD-QCEMKRCNSA-N 1 0 358.404 3.156 10 0 FGAERO CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](C[NH2+][C@@H]2CCCCC23CCCC3)C1 ZINC000702767420 722410824 /nfs/dbraw/zinc/41/08/24/722410824.db2.gz YDKUTUMNEMZNAW-YESZJQIVSA-N 1 0 352.519 3.307 10 0 FGAERO C[C@@H](C[NH3+])c1noc(-c2scc(Br)c2Br)n1 ZINC000705483522 722411777 /nfs/dbraw/zinc/41/17/77/722411777.db2.gz CBCYKBKNCMYGCW-BYPYZUCNSA-N 1 0 367.066 3.385 10 0 FGAERO CO[C@]1(C[NH2+][C@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CCSC1 ZINC000719250797 722418679 /nfs/dbraw/zinc/41/86/79/722418679.db2.gz ODHKUWZSKNOBOZ-VKJFTORMSA-N 1 0 358.548 3.134 10 0 FGAERO C[C@@H](c1cccc(Cl)c1F)[NH+]1CCC(c2ncc(C(N)=O)[nH]2)CC1 ZINC000888099043 739470255 /nfs/dbraw/zinc/47/02/55/739470255.db2.gz PUSVKOKLEUSHBM-JTQLQIEISA-N 1 0 350.825 3.242 10 0 FGAERO CCCCCOCc1cc(C(C)=O)ccc1OC[C@@H](O)C[NH2+]C(C)C ZINC000005820709 204226841 /nfs/dbraw/zinc/22/68/41/204226841.db2.gz FUNDUUOBYCYREG-IBGZPJMESA-N 1 0 351.487 3.334 10 0 FGAERO CC[NH+](CC)CCCCN1C(=O)C[C@]2(CCCc3ccc(OC)cc32)C1=O ZINC000027563447 204865049 /nfs/dbraw/zinc/86/50/49/204865049.db2.gz IPIQKBIKYLVUPY-QFIPXVFZSA-N 1 0 372.509 3.150 10 0 FGAERO Cc1ccc(C[N@H+](C[C@H](O)COCc2ccccc2)C[C@H]2CCCO2)o1 ZINC000036097954 205003285 /nfs/dbraw/zinc/00/32/85/205003285.db2.gz XRUSQWOCXFAUEI-VQTJNVASSA-N 1 0 359.466 3.147 10 0 FGAERO COc1ccc(C[N@H+](C[C@@H](O)COCc2ccccc2)C2CC2)cc1OC ZINC000036095832 205004188 /nfs/dbraw/zinc/00/41/88/205004188.db2.gz BJZQBBOFEOKKEC-HXUWFJFHSA-N 1 0 371.477 3.246 10 0 FGAERO Nc1ccc2c(c1)C=[NH+]CCN2C(=O)Cc1ccc(Br)cc1 ZINC000073642304 205031776 /nfs/dbraw/zinc/03/17/76/205031776.db2.gz YVSVMRNFQUZJAQ-UHFFFAOYSA-N 1 0 358.239 3.040 10 0 FGAERO [NH3+][C@H]1CCN(c2cc(-c3cccnc3)nc(-c3cccc(Cl)c3)n2)C1 ZINC000073684020 205033727 /nfs/dbraw/zinc/03/37/27/205033727.db2.gz RVNPNAZGFRKOBR-INIZCTEOSA-N 1 0 351.841 3.396 10 0 FGAERO C[C@H](CN1CCCC1)[NH2+][C@H](C)c1ccc(I)cc1 ZINC000042598207 205097377 /nfs/dbraw/zinc/09/73/77/205097377.db2.gz IAXIVKVMXQAVOI-CHWSQXEVSA-N 1 0 358.267 3.426 10 0 FGAERO C[C@H]([NH3+])[C@H](c1ccccc1Br)n1cc(Br)cn1 ZINC000043093830 205101146 /nfs/dbraw/zinc/10/11/46/205101146.db2.gz HJBVICNLFSYCNO-QPUJVOFHSA-N 1 0 359.065 3.345 10 0 FGAERO [NH3+]CCCOc1c(Br)cc(Br)c2cccnc21 ZINC000053587525 205194612 /nfs/dbraw/zinc/19/46/12/205194612.db2.gz FYRBMSVNVWILPC-UHFFFAOYSA-N 1 0 360.049 3.487 10 0 FGAERO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3c4c(nn3C)CCC4)cc2)C1 ZINC000065465461 205353845 /nfs/dbraw/zinc/35/38/45/205353845.db2.gz OCGUHRVIVXWSQT-HNNXBMFYSA-N 1 0 352.482 3.393 10 0 FGAERO Cc1ccc(OCCN(C)C(=O)C2CC[NH+](C3CCOCC3)CC2)c(C)c1 ZINC000065528710 205358169 /nfs/dbraw/zinc/35/81/69/205358169.db2.gz QORBWPXUXZZCNG-UHFFFAOYSA-N 1 0 374.525 3.032 10 0 FGAERO CC(C)(C)OC(=O)N1CC[NH2+][C@@H](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000095752492 205794361 /nfs/dbraw/zinc/79/43/61/205794361.db2.gz GVJAKRSIPWCYTJ-ZDUSSCGKSA-N 1 0 360.376 3.337 10 0 FGAERO C[C@H]([NH2+]CC(=O)Nc1ccc(C(=O)N(C)C)cc1)c1cccc(Cl)c1 ZINC000008173732 257332528 /nfs/dbraw/zinc/33/25/28/257332528.db2.gz NNTSJYVPYPGXGD-ZDUSSCGKSA-N 1 0 359.857 3.331 10 0 FGAERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)Nc2ccc(F)cc2F)C1 ZINC000190442829 257368526 /nfs/dbraw/zinc/36/85/26/257368526.db2.gz CIQBENRTMRHACY-OAHLLOKOSA-N 1 0 360.408 3.346 10 0 FGAERO Cc1c[nH+]ccc1N1CCC[C@@]2(CCC(=O)N(CCc3ccccn3)C2)C1 ZINC000077287461 132179955 /nfs/dbraw/zinc/17/99/55/132179955.db2.gz UDIXFHCGHKBYGO-JOCHJYFZSA-N 1 0 364.493 3.237 10 0 FGAERO Cc1cccc(C[C@@H](C)[NH2+]C2CCN(c3cc(=O)[nH]c(C(C)C)n3)CC2)n1 ZINC000096166788 132221768 /nfs/dbraw/zinc/22/17/68/132221768.db2.gz NHZJXGAIQYBUHP-MRXNPFEDSA-N 1 0 369.513 3.199 10 0 FGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1c(F)cc(Br)cc1F ZINC000094716009 494957532 /nfs/dbraw/zinc/95/75/32/494957532.db2.gz WYOGXEFZIBHZRH-LLVKDONJSA-N 1 0 363.246 3.433 10 0 FGAERO C[C@H]([NH2+]C[C@H](O)COCc1ccco1)c1cccc(Br)c1 ZINC000037984645 494109987 /nfs/dbraw/zinc/10/99/87/494109987.db2.gz RYQFEKHWIAHOQI-WFASDCNBSA-N 1 0 354.244 3.270 10 0 FGAERO C[NH+](C)C[C@@H](NC(=O)c1ccn(-c2ccc(F)cc2)n1)c1ccccc1 ZINC000048108892 493787234 /nfs/dbraw/zinc/78/72/34/493787234.db2.gz GHMOIBWUQJJUDO-LJQANCHMSA-N 1 0 352.413 3.044 10 0 FGAERO C[C@H]([NH2+]CC(=O)Nc1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)cc1 ZINC000028966254 493810049 /nfs/dbraw/zinc/81/00/49/493810049.db2.gz MJYWLOQRAKYIOC-LBPRGKRZSA-N 1 0 366.870 3.033 10 0 FGAERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1ccc(Oc2ncccn2)cc1C ZINC000068490591 493829646 /nfs/dbraw/zinc/82/96/46/493829646.db2.gz IPKVTMZNFDLFDF-HNNXBMFYSA-N 1 0 357.458 3.429 10 0 FGAERO C[C@H](OC[C@H](O)C[N@@H+]1CCO[C@H]2CCCC[C@@H]21)c1ccc(Cl)cc1 ZINC000051404281 493967575 /nfs/dbraw/zinc/96/75/75/493967575.db2.gz XFLXEHUNCHCHHN-VLQPXKRTSA-N 1 0 353.890 3.422 10 0 FGAERO CC(C)c1ccc([C@H](C)NC(=O)N2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000083155772 494001245 /nfs/dbraw/zinc/00/12/45/494001245.db2.gz DBUCRJRZZHDPDY-KRWDZBQOSA-N 1 0 359.514 3.377 10 0 FGAERO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(Cc2ccc3ccccc3n2)CC1 ZINC000077173448 494025935 /nfs/dbraw/zinc/02/59/35/494025935.db2.gz XTUMZHUMYDLPIG-OALUTQOASA-N 1 0 352.526 3.225 10 0 FGAERO Cc1nc(-c2c[nH]c(C(=O)N[C@H](C[NH+](C)C)c3ccccc3)c2)cs1 ZINC000052556548 494039467 /nfs/dbraw/zinc/03/94/67/494039467.db2.gz PCJUPDYHBSUYSX-QGZVFWFLSA-N 1 0 354.479 3.479 10 0 FGAERO O[C@H]1CCC[C@@H]([NH2+]Cc2cc(Br)ccc2OC(F)F)C1 ZINC000037321048 494103735 /nfs/dbraw/zinc/10/37/35/494103735.db2.gz MILNMEBFNVURNA-NEPJUHHUSA-N 1 0 350.203 3.444 10 0 FGAERO CC[NH+]1CCN(CCNC(=O)c2cc3cn(C4CCCC4)cc3s2)CC1 ZINC000065285819 494186808 /nfs/dbraw/zinc/18/68/08/494186808.db2.gz DTNKXDSQAGNRBD-UHFFFAOYSA-N 1 0 374.554 3.185 10 0 FGAERO Cc1ccc2c(C)nc(N3CCC[C@H]([NH2+]C4CCOCC4)CC3)nc2c1 ZINC000012212672 494215063 /nfs/dbraw/zinc/21/50/63/494215063.db2.gz AOMZFMLZYJQYCT-KRWDZBQOSA-N 1 0 354.498 3.374 10 0 FGAERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1cccc(-c2noc(C3CC3)n2)c1 ZINC000088412364 494238413 /nfs/dbraw/zinc/23/84/13/494238413.db2.gz BIFDTMSAHJTFLN-ZDUSSCGKSA-N 1 0 357.458 3.466 10 0 FGAERO COc1ccc([C@H](C)NC(=O)NCC[NH+](C(C)C)C(C)C)cc1OC ZINC000043063153 494260915 /nfs/dbraw/zinc/26/09/15/494260915.db2.gz VDKQEEJKWTVGQH-HNNXBMFYSA-N 1 0 351.491 3.183 10 0 FGAERO Cc1ccc([C@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccccn2)cc1F ZINC000088785060 494263307 /nfs/dbraw/zinc/26/33/07/494263307.db2.gz JAYZPSKUJFDLCN-INIZCTEOSA-N 1 0 358.461 3.364 10 0 FGAERO CC(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc3c(c2)OCCO3)c1 ZINC000078315202 494277121 /nfs/dbraw/zinc/27/71/21/494277121.db2.gz YGXOAHSKKCBTHK-ZIAGYGMSSA-N 1 0 368.433 3.338 10 0 FGAERO C[C@H](NC(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1)c1cccs1 ZINC000043289602 494284271 /nfs/dbraw/zinc/28/42/71/494284271.db2.gz IHOXIMOJWVNVLL-INIZCTEOSA-N 1 0 372.538 3.056 10 0 FGAERO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)C[C@H](O)COC(C)(C)C ZINC000055083204 494298510 /nfs/dbraw/zinc/29/85/10/494298510.db2.gz NDSJHBRUXKFRJV-SFHVURJKSA-N 1 0 359.514 3.405 10 0 FGAERO Cc1cc(N2CCC[C@@H](Nc3cc[nH+]c4cc(F)ccc34)C2=O)n(C)n1 ZINC000078675273 494341724 /nfs/dbraw/zinc/34/17/24/494341724.db2.gz IIVNSURUSFMDOL-MRXNPFEDSA-N 1 0 353.401 3.023 10 0 FGAERO CC(C)Cc1ccc([C@H](C)NC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)cc1 ZINC000073442568 494371840 /nfs/dbraw/zinc/37/18/40/494371840.db2.gz IIUDLPVTJFTTBI-MOPGFXCFSA-N 1 0 374.573 3.129 10 0 FGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cc(N2CCCC2=O)ccc1Cl ZINC000089849958 494380524 /nfs/dbraw/zinc/38/05/24/494380524.db2.gz XHJFDDVAZCCEJQ-CQSZACIVSA-N 1 0 365.905 3.173 10 0 FGAERO CCC[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@@H]2C[C@H](O)c2ccccc2)C1 ZINC000073822384 494435048 /nfs/dbraw/zinc/43/50/48/494435048.db2.gz UFADHSIJODCSID-RLLQIKCJSA-N 1 0 359.514 3.016 10 0 FGAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccccc2OC[C@@H]2CCCCO2)C1 ZINC000056752877 494556908 /nfs/dbraw/zinc/55/69/08/494556908.db2.gz WVFVHMLESXRYTI-SJORKVTESA-N 1 0 361.486 3.240 10 0 FGAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)N[C@@H]3CC(C)(C)Oc4ccccc43)CC[C@H]21 ZINC000121154683 494620124 /nfs/dbraw/zinc/62/01/24/494620124.db2.gz QLEFBIIOAABGDM-KBAYOESNSA-N 1 0 357.498 3.415 10 0 FGAERO Cc1cc(CN2CCC[C@@H]2C(=O)N(C)C)nc(-c2ccc(Cl)cc2)n1 ZINC000131531337 494649042 /nfs/dbraw/zinc/64/90/42/494649042.db2.gz FKTXUWPYDNCPIP-QGZVFWFLSA-N 1 0 358.873 3.158 10 0 FGAERO Cc1ccccc1[C@H](C)[NH2+]CC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000121317687 494698460 /nfs/dbraw/zinc/69/84/60/494698460.db2.gz JQUOWLLRNQESNS-HNNXBMFYSA-N 1 0 351.450 3.177 10 0 FGAERO CCOCC[N@@H+]1CCN(C(=O)Nc2cccc(COCC)c2)C[C@@H]1CC ZINC000131786472 494730531 /nfs/dbraw/zinc/73/05/31/494730531.db2.gz AFSYSDXVHMQERL-IBGZPJMESA-N 1 0 363.502 3.188 10 0 FGAERO CCc1ccc([C@H](C)NC(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000108540834 494733518 /nfs/dbraw/zinc/73/35/18/494733518.db2.gz CMEPMAYOKJPPPK-GHTZIAJQSA-N 1 0 372.557 3.122 10 0 FGAERO C[NH+](C)C[C@H](NC(=O)c1cccc(OCC(F)(F)F)n1)c1ccccc1 ZINC000131965411 494786774 /nfs/dbraw/zinc/78/67/74/494786774.db2.gz KDIUHDOAFRHGNL-HNNXBMFYSA-N 1 0 367.371 3.055 10 0 FGAERO CCOCC[N@@H+]1CCN(C(=O)Nc2cc(F)c(F)cc2F)C[C@H]1CC ZINC000131966263 494787413 /nfs/dbraw/zinc/78/74/13/494787413.db2.gz FCAQRHXCKPONMK-GFCCVEGCSA-N 1 0 359.392 3.069 10 0 FGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N(C)Cc1ccc(OC(F)(F)F)cc1 ZINC000126575068 494792740 /nfs/dbraw/zinc/79/27/40/494792740.db2.gz FUTVVLIGOXVDCF-ZDUSSCGKSA-N 1 0 361.408 3.457 10 0 FGAERO C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CC[C@H](c2cnn(C)c2)C1)c1ccccc1 ZINC000116551683 494813467 /nfs/dbraw/zinc/81/34/67/494813467.db2.gz ATVKVWOZNONWIT-AEFFLSMTSA-N 1 0 369.513 3.048 10 0 FGAERO O=C(NC1CC[NH+](Cc2ccccn2)CC1)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109088507 494829677 /nfs/dbraw/zinc/82/96/77/494829677.db2.gz DLWCWOIIJZZAQD-ZWKOTPCHSA-N 1 0 371.431 3.244 10 0 FGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N(C)Cc1ccccc1N1CCCC1 ZINC000121654960 494831959 /nfs/dbraw/zinc/83/19/59/494831959.db2.gz PXPHYMJCIXPORZ-IBGZPJMESA-N 1 0 360.546 3.405 10 0 FGAERO FC(F)(F)Oc1cccc(C[N@@H+]2CCCN(c3cccnn3)CC2)c1 ZINC000093150864 494836908 /nfs/dbraw/zinc/83/69/08/494836908.db2.gz RLSOXHZTKUSISA-UHFFFAOYSA-N 1 0 352.360 3.088 10 0 FGAERO CC1CC[NH+](CC(=O)N2C[C@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000093242437 494850496 /nfs/dbraw/zinc/85/04/96/494850496.db2.gz VEAQXIXGUAWVPA-SJORKVTESA-N 1 0 370.415 3.072 10 0 FGAERO CC(C)c1ccc(-c2nc(C(=O)N3CCO[C@H](C[NH+](C)C)C3)cs2)cc1 ZINC000116785760 494853801 /nfs/dbraw/zinc/85/38/01/494853801.db2.gz KBKOPXHVVBJOSI-QGZVFWFLSA-N 1 0 373.522 3.336 10 0 FGAERO CCCOc1ccc(C[N@@H+]2CCCN(c3ccc(C)nn3)CC2)cc1OC ZINC000093272063 494854626 /nfs/dbraw/zinc/85/46/26/494854626.db2.gz TVTDOYXFJSHTFK-UHFFFAOYSA-N 1 0 370.497 3.295 10 0 FGAERO COC(=O)c1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)s1 ZINC000109303961 494857576 /nfs/dbraw/zinc/85/75/76/494857576.db2.gz SWODXCSLGJCKFI-INIZCTEOSA-N 1 0 372.490 3.319 10 0 FGAERO CN(Cc1cccnc1)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000109358747 494864220 /nfs/dbraw/zinc/86/42/20/494864220.db2.gz RHIYEBDXQBPPLY-FQEVSTJZSA-N 1 0 352.482 3.278 10 0 FGAERO Cc1ccc(NC(=O)N(C)C2CC[NH+](CCn3cccn3)CC2)c(C)c1 ZINC000109379985 494866165 /nfs/dbraw/zinc/86/61/65/494866165.db2.gz CAOPAXVGMQNNID-UHFFFAOYSA-N 1 0 355.486 3.128 10 0 FGAERO Cc1ccc([C@@]2(O)CN(c3ccc4c(c3)OCO4)C3=[N+]2CCCCC3)cc1 ZINC000027525837 494870778 /nfs/dbraw/zinc/87/07/78/494870778.db2.gz FATVRURYBQZPJO-QFIPXVFZSA-N 1 0 365.453 3.374 10 0 FGAERO CC(C)[N@H+]1C[C@H](NC(=O)N(C)Cc2nc(C(F)(F)F)cs2)[C@@H](C)C1 ZINC000132477248 494880782 /nfs/dbraw/zinc/88/07/82/494880782.db2.gz KQSMICCGLPSLEX-QWRGUYRKSA-N 1 0 364.437 3.032 10 0 FGAERO C[C@H](CNC(=O)N1CCO[C@@H](C[NH+](C)C)C1)c1c(Cl)cccc1Cl ZINC000117043185 494886872 /nfs/dbraw/zinc/88/68/72/494886872.db2.gz NWOUDQGIOWDZFU-OLZOCXBDSA-N 1 0 374.312 3.069 10 0 FGAERO Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000109674774 494905559 /nfs/dbraw/zinc/90/55/59/494905559.db2.gz PAGWZWQREREHGG-UXHICEINSA-N 1 0 366.509 3.365 10 0 FGAERO COc1cccc(C[NH+]2CCC(Cn3cccn3)CC2)c1OC(F)F ZINC000122079604 494920171 /nfs/dbraw/zinc/92/01/71/494920171.db2.gz JMJZSIAWPXWXEO-UHFFFAOYSA-N 1 0 351.397 3.405 10 0 FGAERO C[NH+](C)C[C@H](NC(=O)NC[C@H]1CCCO[C@H]1C(C)(C)C)c1ccccc1 ZINC000118566178 495010949 /nfs/dbraw/zinc/01/09/49/495010949.db2.gz YATLJKGGOBAMML-CEXWTWQISA-N 1 0 361.530 3.430 10 0 FGAERO C[NH+](C)C[C@H](NC(=O)NC[C@@H]1CCCO[C@@H]1C(C)(C)C)c1ccccc1 ZINC000118566172 495011003 /nfs/dbraw/zinc/01/10/03/495011003.db2.gz YATLJKGGOBAMML-FHWLQOOXSA-N 1 0 361.530 3.430 10 0 FGAERO c1csc(C[N@H+]2CCC[C@H](OCc3nc(-c4cccnc4)no3)C2)c1 ZINC000097097903 495023681 /nfs/dbraw/zinc/02/36/81/495023681.db2.gz GHCZLSBJJSCOGL-HNNXBMFYSA-N 1 0 356.451 3.374 10 0 FGAERO COCOc1ccc(OC)cc1C[N@@H+]1CCC[C@H]1c1c(C)nn(C)c1C ZINC000122800024 495032711 /nfs/dbraw/zinc/03/27/11/495032711.db2.gz LVAGXDBEONXRTC-SFHVURJKSA-N 1 0 359.470 3.365 10 0 FGAERO C[NH+](C)C[C@H](NC(=O)NCCOc1cccc(Cl)c1)c1ccccc1 ZINC000097359023 495032956 /nfs/dbraw/zinc/03/29/56/495032956.db2.gz KQIFOXJWKSAELK-SFHVURJKSA-N 1 0 361.873 3.321 10 0 FGAERO CCc1nccn1[C@@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2OC)C1 ZINC000122901422 495049755 /nfs/dbraw/zinc/04/97/55/495049755.db2.gz KFBFLLHRRWMXDY-MRXNPFEDSA-N 1 0 359.470 3.308 10 0 FGAERO CCc1nccn1[C@@H]1CCC[N@H+](Cc2ccccc2N2CCOCC2)C1 ZINC000122935581 495055830 /nfs/dbraw/zinc/05/58/30/495055830.db2.gz CMBPBAKUJVAPOT-LJQANCHMSA-N 1 0 354.498 3.119 10 0 FGAERO Cc1cncc(CNC(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)c1 ZINC000133828937 495067533 /nfs/dbraw/zinc/06/75/33/495067533.db2.gz KRPSULOHIULTKK-FQEVSTJZSA-N 1 0 352.482 3.244 10 0 FGAERO CCOc1c(OC)cc(C[N@@H+]2CCC[C@H](n3cc(C)cn3)C2)cc1OC ZINC000123089156 495078524 /nfs/dbraw/zinc/07/85/24/495078524.db2.gz FJTXOFRAKLCKMV-KRWDZBQOSA-N 1 0 359.470 3.445 10 0 FGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@@H](C[C@@H]2CCOC2)c2ccccc2)C1 ZINC000123237663 495101291 /nfs/dbraw/zinc/10/12/91/495101291.db2.gz DGWSTFXYURKFDA-UMGGQSCQSA-N 1 0 359.514 3.182 10 0 FGAERO COC(=O)[C@@H]1CCC[N@H+](Cc2c(C)nn(-c3ccc(F)cc3F)c2C)C1 ZINC000123247808 495102695 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COc1cc(C)c([C@@H](C)[NH2+][C@H]2CCCN(c3cccnn3)C2)cc1OC ZINC000089733393 494350221 /nfs/dbraw/zinc/35/02/21/494350221.db2.gz DJDMZTSGZNETTR-CVEARBPZSA-N 1 0 356.470 3.122 10 0 FGAERO C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000089732713 494350667 /nfs/dbraw/zinc/35/06/67/494350667.db2.gz PWMISFQDIOSIIY-YOEHRIQHSA-N 1 0 373.888 3.106 10 0 FGAERO COc1cccc(/C=C/C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000015582542 494360830 /nfs/dbraw/zinc/36/08/30/494360830.db2.gz JHXRGFUMLDWKRP-ZHACJKMWSA-N 1 0 350.462 3.489 10 0 FGAERO C[C@@H](CNC(=O)N[C@@H](C)c1ccc2ccccc2c1)C[NH+]1CCN(C)CC1 ZINC000073489373 494377472 /nfs/dbraw/zinc/37/74/72/494377472.db2.gz LXXHKBICHKOIEV-ROUUACIJSA-N 1 0 368.525 3.084 10 0 FGAERO COC(=O)C1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(C(C)C)cc2)CC1 ZINC000073619568 494400844 /nfs/dbraw/zinc/40/08/44/494400844.db2.gz NURSPSHBLDWWQM-HOTGVXAUSA-N 1 0 360.498 3.261 10 0 FGAERO C[C@@H](NC(=O)N[C@@H](C)C[NH+]1CCCCC1)c1cccc(-n2ccnc2)c1 ZINC000073665298 494409688 /nfs/dbraw/zinc/40/96/88/494409688.db2.gz CHPIJRLSVSJUBU-DLBZAZTESA-N 1 0 355.486 3.107 10 0 FGAERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1cccc(C)c1C(=O)N1CCCC1 ZINC000046012976 494486230 /nfs/dbraw/zinc/48/62/30/494486230.db2.gz FCALAOSKAODZGH-INIZCTEOSA-N 1 0 360.502 3.083 10 0 FGAERO Cc1csc(CNC(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)n1 ZINC000067569549 494570794 /nfs/dbraw/zinc/57/07/94/494570794.db2.gz PAUAESJDKNVYAV-QGZVFWFLSA-N 1 0 358.511 3.305 10 0 FGAERO CCOCCC[N@@H+]1CC[C@@H](NC(=O)NC2CCC(CC)CC2)[C@@H](C)C1 ZINC000115704394 494601441 /nfs/dbraw/zinc/60/14/41/494601441.db2.gz XVTTWVCOUZOPQI-MKCYZYCBSA-N 1 0 353.551 3.391 10 0 FGAERO C[C@@H](CNC(=O)N1CCC[C@@H](C(F)(F)F)C1)[N@@H+]1CCc2ccccc2C1 ZINC000047004380 494613280 /nfs/dbraw/zinc/61/32/80/494613280.db2.gz OYXQDQFNNYIPBR-WMLDXEAASA-N 1 0 369.431 3.417 10 0 FGAERO C[C@H](NC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)c1cccnc1 ZINC000067734313 494627828 /nfs/dbraw/zinc/62/78/28/494627828.db2.gz OURZHUZLGALRJS-FXAWDEMLSA-N 1 0 352.482 3.497 10 0 FGAERO C[C@H](c1ccccn1)[N@H+](C)C[C@H](O)COc1cccc(Br)c1 ZINC000091703741 494653861 /nfs/dbraw/zinc/65/38/61/494653861.db2.gz MYQVUXPAXAGTFU-HIFRSBDPSA-N 1 0 365.271 3.277 10 0 FGAERO CN(Cc1cc(Cl)ccc1F)C1CC[NH+](CCn2cccn2)CC1 ZINC000121225679 494655189 /nfs/dbraw/zinc/65/51/89/494655189.db2.gz APPQUTLADMHSOW-UHFFFAOYSA-N 1 0 350.869 3.272 10 0 FGAERO C[N@H+](Cc1ccc(Cl)c(F)c1)C1CCN(CCn2cccn2)CC1 ZINC000121237507 494661503 /nfs/dbraw/zinc/66/15/03/494661503.db2.gz VEWZCERFXJULFL-UHFFFAOYSA-N 1 0 350.869 3.272 10 0 FGAERO c1ncn([C@@H]2CCCN(Cc3nnc(-c4cc5c(s4)CCCC5)o3)C2)n1 ZINC000121264679 494673361 /nfs/dbraw/zinc/67/33/61/494673361.db2.gz WQPPUZWYSVQHJN-CQSZACIVSA-N 1 0 370.482 3.106 10 0 FGAERO Cc1ccc(NC(=O)CC(=O)N2CCC3(CC2)CCC[N@@H+](C)CC3)cc1 ZINC000067894037 494685822 /nfs/dbraw/zinc/68/58/22/494685822.db2.gz BJSNVPVZCXURNF-UHFFFAOYSA-N 1 0 357.498 3.048 10 0 FGAERO COCCn1cc(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)c2ccccc21 ZINC000057429194 494744068 /nfs/dbraw/zinc/74/40/68/494744068.db2.gz QNLTVAVWCRMBKG-HXUWFJFHSA-N 1 0 365.477 3.320 10 0 FGAERO COc1ccc(C[NH+]2CCC(c3ccnn3C)CC2)cc1OC(F)F ZINC000092810427 494756030 /nfs/dbraw/zinc/75/60/30/494756030.db2.gz RMZTYUREOPWVDU-UHFFFAOYSA-N 1 0 351.397 3.410 10 0 FGAERO Cn1cc([C@H]2CC[N@H+](C[C@H](O)Cn3c4ccccc4c4ccccc43)C2)cn1 ZINC000116319408 494760893 /nfs/dbraw/zinc/76/08/93/494760893.db2.gz CKKLSWZAUXWYQZ-HKUYNNGSSA-N 1 0 374.488 3.378 10 0 FGAERO Cc1nc(C[C@H]2CCC[N@H+](Cc3c[nH]nc3-c3ccc(F)cc3)C2)no1 ZINC000092814056 494761403 /nfs/dbraw/zinc/76/14/03/494761403.db2.gz QLACYLHTARZHRL-CQSZACIVSA-N 1 0 355.417 3.362 10 0 FGAERO C[NH+](C)CCOc1ccccc1CNC(=O)N1CCC[C@@H]1c1ccco1 ZINC000116425678 494783233 /nfs/dbraw/zinc/78/32/33/494783233.db2.gz UAZGZDNLJUVHFY-QGZVFWFLSA-N 1 0 357.454 3.267 10 0 FGAERO C[NH+](C)[C@@H](CNC(=O)N[C@H]1CCOc2ccccc21)c1cccc(F)c1 ZINC000047865340 494784210 /nfs/dbraw/zinc/78/42/10/494784210.db2.gz FVBWZBXXAFNTBJ-ROUUACIJSA-N 1 0 357.429 3.251 10 0 FGAERO Cn1cc(CN2CCC[N@H+](Cc3ccccc3OC3CCCC3)CC2)cn1 ZINC000121546431 494798335 /nfs/dbraw/zinc/79/83/35/494798335.db2.gz PFUKJWYZHBSUJJ-UHFFFAOYSA-N 1 0 368.525 3.449 10 0 FGAERO Fc1ccc(-c2nc(C[N@@H+]3CCC[C@H](Cn4cncn4)C3)co2)cc1F ZINC000109064588 494825709 /nfs/dbraw/zinc/82/57/09/494825709.db2.gz XUCRASJWMSQHLR-ZDUSSCGKSA-N 1 0 359.380 3.124 10 0 FGAERO O=C(NC1CC[NH+](Cc2ccccn2)CC1)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109088505 494829961 /nfs/dbraw/zinc/82/99/61/494829961.db2.gz DLWCWOIIJZZAQD-MSOLQXFVSA-N 1 0 371.431 3.244 10 0 FGAERO C[NH+](C)C[C@H]1CN(C(=O)c2ccc(OCC3CCCCC3)cc2)CCO1 ZINC000116783025 494852920 /nfs/dbraw/zinc/85/29/20/494852920.db2.gz LDYFXIZECCSXGO-FQEVSTJZSA-N 1 0 360.498 3.048 10 0 FGAERO COc1cc(C[N@H+](C)[C@H]2CCCN(c3cccnn3)C2)ccc1SC ZINC000109328676 494861078 /nfs/dbraw/zinc/86/10/78/494861078.db2.gz QLWMHTBXFDNACL-INIZCTEOSA-N 1 0 358.511 3.308 10 0 FGAERO C[C@H]([NH2+][C@@H](C)c1ccccc1-n1cccn1)c1ccc(-n2cnnn2)cc1 ZINC000121872260 494879008 /nfs/dbraw/zinc/87/90/08/494879008.db2.gz CNROQHDLZZVDNN-HOTGVXAUSA-N 1 0 359.437 3.260 10 0 FGAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCc2cccc(COCC(F)(F)F)c2)C1 ZINC000121883330 494881414 /nfs/dbraw/zinc/88/14/14/494881414.db2.gz QXVLCBOCTHKLSU-MRXNPFEDSA-N 1 0 373.419 3.049 10 0 FGAERO CCO[C@@H]1C[C@H]([N@H+](C)Cc2ccccc2OCC(=O)N(C)C)C12CCCC2 ZINC000093611056 494903804 /nfs/dbraw/zinc/90/38/04/494903804.db2.gz YARPIOMMSMOGTF-VQTJNVASSA-N 1 0 374.525 3.323 10 0 FGAERO C[NH+](C)CCOc1ccc(CNC(=O)NC2C3CC4CC(C3)CC2C4)cc1 ZINC000127271105 494920283 /nfs/dbraw/zinc/92/02/83/494920283.db2.gz IYNMFOUZVYQLBH-UHFFFAOYSA-N 1 0 371.525 3.251 10 0 FGAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000133180956 494980916 /nfs/dbraw/zinc/98/09/16/494980916.db2.gz CUHYMIJRSIXPCK-NJYVYQBISA-N 1 0 352.478 3.196 10 0 FGAERO COc1ccc(CN2CCO[C@H](Cn3cc(C)cn3)C2)c2ccccc12 ZINC000122503868 494986051 /nfs/dbraw/zinc/98/60/51/494986051.db2.gz IZOKNSRECJCWGB-SFHVURJKSA-N 1 0 351.450 3.254 10 0 FGAERO COc1cc(OC)c(OC)cc1C[N@@H+]1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000122781359 495030546 /nfs/dbraw/zinc/03/05/46/495030546.db2.gz LCUNJFQLQKGVMQ-MRXNPFEDSA-N 1 0 359.470 3.400 10 0 FGAERO CCOCC[N@@H+]1CCN(C(=O)c2cccc3ccc(C)nc32)C[C@@H]1CC ZINC000133754697 495057634 /nfs/dbraw/zinc/05/76/34/495057634.db2.gz PTQNVYYMNPQVFQ-SFHVURJKSA-N 1 0 355.482 3.116 10 0 FGAERO COc1ccc([C@@H]([NH2+]C[C@H](O)CN2CCc3ccccc3C2)C2CC2)cc1 ZINC000098144154 495061214 /nfs/dbraw/zinc/06/12/14/495061214.db2.gz OSCIZOHCYSZTTB-GMAHTHKFSA-N 1 0 366.505 3.155 10 0 FGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@H](C)c1ccccc1-n1cccn1 ZINC000123012945 495067163 /nfs/dbraw/zinc/06/71/63/495067163.db2.gz FBZGHGMJHWEDAZ-IAGOWNOFSA-N 1 0 357.502 3.209 10 0 FGAERO CCCC(=O)N[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000101564123 495078396 /nfs/dbraw/zinc/07/83/96/495078396.db2.gz DOVUJOHQUJQFCG-CQSZACIVSA-N 1 0 369.868 3.188 10 0 FGAERO CCN(CC)C(=O)C[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000123360144 495120080 /nfs/dbraw/zinc/12/00/80/495120080.db2.gz MHGMFOOSNMAGLM-MGNMYUMUSA-N 1 0 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C[C@H](C[C@H](O)c1ccco1)[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000245680452 713609899 /nfs/dbraw/zinc/60/98/99/713609899.db2.gz MLLBGKJWNPLRPW-OAGGEKHMSA-N 1 0 352.475 3.328 10 0 FGAERO O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246594564 713627110 /nfs/dbraw/zinc/62/71/10/713627110.db2.gz ZSAFDLANJUXLBZ-JKSUJKDBSA-N 1 0 357.281 3.114 10 0 FGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(N(C)C)c(Cl)c1 ZINC000247157517 713636332 /nfs/dbraw/zinc/63/63/32/713636332.db2.gz UQQYBOLVJMUTPZ-GJZGRUSLSA-N 1 0 350.894 3.497 10 0 FGAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)c1c[nH]nc1-c1ccccc1Cl ZINC000261603439 713711524 /nfs/dbraw/zinc/71/15/24/713711524.db2.gz CPPPQMHGUPYDKP-JPZVUWATSA-N 1 0 358.873 3.366 10 0 FGAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)Nc1cc(Cl)ccc1N1CCSCC1 ZINC000261746832 713713433 /nfs/dbraw/zinc/71/34/33/713713433.db2.gz MFZGHUJSWXHBHC-TZMCWYRMSA-N 1 0 353.919 3.207 10 0 FGAERO Cc1nc([C@@H](C)NC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)cs1 ZINC000261848662 713715205 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3.219 10 0 FGAERO CCOC(=O)C1CCC([NH2+]CC2CC(NC(=O)OC(C)(C)C)C2)CC1 ZINC000711407395 722413947 /nfs/dbraw/zinc/41/39/47/722413947.db2.gz WDILQPPQIVNSCF-UHFFFAOYSA-N 1 0 354.491 3.001 10 0 FGAERO C[C@@H]([NH2+]Cc1nc2c(s1)CCC2)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000719547225 722418843 /nfs/dbraw/zinc/41/88/43/722418843.db2.gz HMQHSWYQTJLPQQ-CHWSQXEVSA-N 1 0 351.516 3.367 10 0 FGAERO [NH3+][C@H]1CC[C@H](C(F)(F)F)N(C(=O)Cc2cccc(C(F)(F)F)c2)C1 ZINC000886035047 739210404 /nfs/dbraw/zinc/21/04/04/739210404.db2.gz VZSVEGGTEHHLOC-NWDGAFQWSA-N 1 0 354.294 3.129 10 0 FGAERO COc1ccccc1[C@H](C[NH3+])Oc1cccc(I)c1 ZINC000043100112 209273798 /nfs/dbraw/zinc/27/37/98/209273798.db2.gz LPSOAWLZEYDQRS-HNNXBMFYSA-N 1 0 369.202 3.379 10 0 FGAERO COc1ccc([C@H](C[NH3+])Oc2ccccc2I)cc1 ZINC000042963941 209271173 /nfs/dbraw/zinc/27/11/73/209271173.db2.gz NSMWZFJJSHONIO-HNNXBMFYSA-N 1 0 369.202 3.379 10 0 FGAERO CC(=O)NC[C@H]1CCC2(CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)O1 ZINC000011788726 207321468 /nfs/dbraw/zinc/32/14/68/207321468.db2.gz PKXHHSSORNZOIS-QGZVFWFLSA-N 1 0 370.415 3.355 10 0 FGAERO O=C(NCC[N@@H+]1CC[C@@H](c2ccccc2)C1)c1cn(C2CCCCC2)nn1 ZINC000012592183 207397983 /nfs/dbraw/zinc/39/79/83/207397983.db2.gz WWQIPEWBOFWRHU-GOSISDBHSA-N 1 0 367.497 3.003 10 0 FGAERO Cc1ccc(S(=O)(=O)c2nn(C[C@H]3CCC[NH2+]C3)c3ccccc32)cc1 ZINC000038794818 208017573 /nfs/dbraw/zinc/01/75/73/208017573.db2.gz LUHZCZQPLOMEHL-INIZCTEOSA-N 1 0 369.490 3.177 10 0 FGAERO CC[NH+](CC)CCNc1cc(C)nc2cc(-c3ccccc3OC)nn21 ZINC000036631420 208166930 /nfs/dbraw/zinc/16/69/30/208166930.db2.gz DONSLJBRXYBCRE-UHFFFAOYSA-N 1 0 353.470 3.467 10 0 FGAERO COc1ccc(C[N@H+](C[C@@H](O)COc2ccc(OC)cc2)C2CC2)cc1 ZINC000036102289 208145114 /nfs/dbraw/zinc/14/51/14/208145114.db2.gz ZMMHCXUTEVAGDW-GOSISDBHSA-N 1 0 357.450 3.108 10 0 FGAERO CC(C)(C)[NH+]1CCC(NCc2ccc(I)o2)CC1 ZINC000037786431 208185674 /nfs/dbraw/zinc/18/56/74/208185674.db2.gz OTFZTRRJBOMOCO-UHFFFAOYSA-N 1 0 362.255 3.237 10 0 FGAERO C[C@@H]([NH2+]Cc1cc(Br)c2c(c1)OCCCO2)[C@H]1CCCO1 ZINC000037324928 257337998 /nfs/dbraw/zinc/33/79/98/257337998.db2.gz CBVVWMWTBXNQDX-BXUZGUMPSA-N 1 0 356.260 3.268 10 0 FGAERO CCOc1c(Br)cc(Cl)cc1NC(=O)[C@H]1CCC[NH2+]C1 ZINC000037020119 257338309 /nfs/dbraw/zinc/33/83/09/257338309.db2.gz MRKVKVMSBDQABZ-VIFPVBQESA-N 1 0 361.667 3.439 10 0 FGAERO [NH3+]C[C@@H]1CCCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000044556569 257341113 /nfs/dbraw/zinc/34/11/13/257341113.db2.gz CRUAESZGSJORQQ-VIFPVBQESA-N 1 0 357.690 3.149 10 0 FGAERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(c2ccnc(Cc3ccccc3)n2)C1 ZINC000190450246 257368144 /nfs/dbraw/zinc/36/81/44/257368144.db2.gz OMZVSYVHADLUNG-OAQYLSRUSA-N 1 0 373.504 3.421 10 0 FGAERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)Nc2cc(F)ccc2F)C1 ZINC000190442929 257368405 /nfs/dbraw/zinc/36/84/05/257368405.db2.gz KTYLUXGSANBUTM-OAHLLOKOSA-N 1 0 360.408 3.346 10 0 FGAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@H](C)N2CCc3sccc3C2)C12CCOCC2 ZINC000249036745 257371101 /nfs/dbraw/zinc/37/11/01/257371101.db2.gz UFXJFLXPCBQYLT-KFKAGJAMSA-N 1 0 364.555 3.059 10 0 FGAERO [NH3+][C@@H]1c2ccccc2C2(CCN(c3cccc(C(F)(F)F)n3)CC2)[C@H]1O ZINC000072165312 136143531 /nfs/dbraw/zinc/14/35/31/136143531.db2.gz WRDIHUHXQREEBQ-SJORKVTESA-N 1 0 363.383 3.013 10 0 FGAERO Cc1cc(N2CCC[N@@H+]([C@H](C(=O)[O-])c3cccc(C)c3F)CC2)cc[nH+]1 ZINC000095531445 209079451 /nfs/dbraw/zinc/07/94/51/209079451.db2.gz UYAXTYVBPFIEDR-IBGZPJMESA-N 1 0 357.429 3.176 10 0 FGAERO O=S(=O)(CCC[N@H+]1CCC[C@H]1C[C@@H](O)c1ccccc1)c1ccccc1 ZINC000076076076 493816846 /nfs/dbraw/zinc/81/68/46/493816846.db2.gz GVGCEDDLQBEWFE-PZJWPPBQSA-N 1 0 373.518 3.439 10 0 FGAERO C[NH+](C)C[C@H](NC(=O)CCC(=O)c1ccc(F)cc1F)c1ccccc1 ZINC000048399429 493826109 /nfs/dbraw/zinc/82/61/09/493826109.db2.gz UIGFCMRLTXKCMF-SFHVURJKSA-N 1 0 360.404 3.347 10 0 FGAERO CCc1ccc2nc(N3CCC(C(=O)NCCC[NH+](C)C)CC3)sc2c1 ZINC000003894463 493858978 /nfs/dbraw/zinc/85/89/78/493858978.db2.gz RIQQVJSTIJFMNM-UHFFFAOYSA-N 1 0 374.554 3.143 10 0 FGAERO CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N(C)CCCN2CC[NH+](C)CC2)cc1 ZINC000076998273 494006902 /nfs/dbraw/zinc/00/69/02/494006902.db2.gz VZSGHIAIQWLVOA-LEWJYISDSA-N 1 0 357.542 3.009 10 0 FGAERO C[NH+](C)C[C@@H](NC(=O)COc1ccc(F)cc1Cl)c1ccccc1 ZINC000007817854 494045342 /nfs/dbraw/zinc/04/53/42/494045342.db2.gz FYIZJBAAWMXRSN-MRXNPFEDSA-N 1 0 350.821 3.277 10 0 FGAERO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)cc1 ZINC000052658447 494051364 /nfs/dbraw/zinc/05/13/64/494051364.db2.gz HAQOHLRKBDAGJB-KBPBESRZSA-N 1 0 356.422 3.144 10 0 FGAERO COc1c(Br)cc(Cl)cc1NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054306802 494219499 /nfs/dbraw/zinc/21/94/99/494219499.db2.gz LZBHAJJWJCDDMQ-SECBINFHSA-N 1 0 361.667 3.439 10 0 FGAERO COc1ccc([C@@H](C)NC(=O)NCC[NH+](C(C)C)C(C)C)cc1OC ZINC000043063157 494260969 /nfs/dbraw/zinc/26/09/69/494260969.db2.gz VDKQEEJKWTVGQH-OAHLLOKOSA-N 1 0 351.491 3.183 10 0 FGAERO C[C@H](NC(=O)N1CC[C@H]([NH+]2CCCC2)C1)c1cccc(Br)c1 ZINC000066178132 494284599 /nfs/dbraw/zinc/28/45/99/494284599.db2.gz ZNJJXQUWACLDQJ-BBRMVZONSA-N 1 0 366.303 3.390 10 0 FGAERO O=C(NC[C@@H](O)C[NH+]1CCCCC1)Nc1ccccc1-c1ccccc1 ZINC000043328800 494287497 /nfs/dbraw/zinc/28/74/97/494287497.db2.gz JUMSPMVENFJPPG-GOSISDBHSA-N 1 0 353.466 3.322 10 0 FGAERO Cc1nc(-c2ccc(NC(=O)NC[C@H](O)C[NH+]3CCCCC3)cc2)cs1 ZINC000043854523 494325300 /nfs/dbraw/zinc/32/53/00/494325300.db2.gz MKWUYOLCUWIKAO-KRWDZBQOSA-N 1 0 374.510 3.087 10 0 FGAERO COCC[N@@H+]1CCC[C@]2(CCN(Cc3c[nH]nc3C3CCCCC3)C2)C1 ZINC000015064026 494336339 /nfs/dbraw/zinc/33/63/39/494336339.db2.gz XEFRMFFGVVUQQK-NRFANRHFSA-N 1 0 360.546 3.392 10 0 FGAERO CC(C)C[NH+]1CCC(C(=O)NCc2cccc(OC[C@H]3CCCO3)c2)CC1 ZINC000055481646 494350786 /nfs/dbraw/zinc/35/07/86/494350786.db2.gz PGUZXPMACCQKQF-OAQYLSRUSA-N 1 0 374.525 3.229 10 0 FGAERO CNC(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(F)c(F)c2)c1 ZINC000073716712 494416870 /nfs/dbraw/zinc/41/68/70/494416870.db2.gz AFQNXYVRTZMBSM-VXGBXAGGSA-N 1 0 361.392 3.002 10 0 FGAERO COc1cccc(CNC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(OC)c(OC)c2)c1 ZINC000079306448 494434492 /nfs/dbraw/zinc/43/44/92/494434492.db2.gz LCOSKGVRVXBVAI-LSDHHAIUSA-N 1 0 372.465 3.068 10 0 FGAERO NC(=O)c1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(-n3cccn3)cc2)s1 ZINC000019148296 494436545 /nfs/dbraw/zinc/43/65/45/494436545.db2.gz PVPKTGTTWLKGQT-INIZCTEOSA-N 1 0 352.463 3.370 10 0 FGAERO Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)cc1 ZINC000067005462 494454330 /nfs/dbraw/zinc/45/43/30/494454330.db2.gz RUNIKLZPKPGRJM-FQEVSTJZSA-N 1 0 365.477 3.104 10 0 FGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N(Cc1cccs1)C[C@@H]1CCCO1 ZINC000079495425 494465011 /nfs/dbraw/zinc/46/50/11/494465011.db2.gz DBYZDLZKNTVVCE-SJORKVTESA-N 1 0 367.559 3.415 10 0 FGAERO COc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NCc2ccc(C)cc2)cc1OC ZINC000056181942 494466666 /nfs/dbraw/zinc/46/66/66/494466666.db2.gz PTMLYCXBLGDFIS-HZPDHXFCSA-N 1 0 356.466 3.368 10 0 FGAERO CC(C)[C@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)c1ccccc1Cl ZINC000091287329 494578241 /nfs/dbraw/zinc/57/82/41/494578241.db2.gz TZAASXAMJDVLOL-IBGZPJMESA-N 1 0 373.884 3.042 10 0 FGAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCc2ccc(Oc3cccnc3)c(F)c2)C1 ZINC000067647154 494596429 /nfs/dbraw/zinc/59/64/29/494596429.db2.gz JJKUYMUZDHZPFJ-MRXNPFEDSA-N 1 0 372.444 3.297 10 0 FGAERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1cc(F)ccc1OC[C@@H]1CCCO1 ZINC000107821885 494606771 /nfs/dbraw/zinc/60/67/71/494606771.db2.gz ILLPESAEBAYCND-HOCLYGCPSA-N 1 0 367.465 3.235 10 0 FGAERO C[C@H](NC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)c1ccccc1Br ZINC000115785135 494621323 /nfs/dbraw/zinc/62/13/23/494621323.db2.gz IKIQQYYTOVWZSP-UONOGXRCSA-N 1 0 368.319 3.493 10 0 FGAERO Cc1ccccc1[C@H](C)[NH2+]CC(=O)NCc1ccccc1Cn1cccn1 ZINC000126277022 494693941 /nfs/dbraw/zinc/69/39/41/494693941.db2.gz XTFOCFFWBCJGEW-SFHVURJKSA-N 1 0 362.477 3.207 10 0 FGAERO C[C@H]([NH2+]CC(=O)Nc1ccccc1N1CCCC1=O)c1ccc(F)c(F)c1 ZINC000121339011 494709521 /nfs/dbraw/zinc/70/95/21/494709521.db2.gz CIBZSDWFDAYYDK-ZDUSSCGKSA-N 1 0 373.403 3.381 10 0 FGAERO CCCC(=O)N[C@H]1CCC[N@H+](Cc2c(C)nn(-c3ccccc3)c2C)C1 ZINC000092708301 494720731 /nfs/dbraw/zinc/72/07/31/494720731.db2.gz VZMZOQBCFZGWAJ-SFHVURJKSA-N 1 0 354.498 3.370 10 0 FGAERO Cc1cc(N2CCC[C@H]([NH2+]Cc3ccc(C(F)(F)F)cc3)C2=O)n(C)n1 ZINC000080526515 494727658 /nfs/dbraw/zinc/72/76/58/494727658.db2.gz AUVCVBYEWNBXQK-HNNXBMFYSA-N 1 0 366.387 3.033 10 0 FGAERO COc1c(CN2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c(C)nn1C ZINC000092043797 494768522 /nfs/dbraw/zinc/76/85/22/494768522.db2.gz JSKHRWIMIOVLDP-TZIWHRDSSA-N 1 0 368.525 3.224 10 0 FGAERO Cc1sc2cc(C(=O)NCc3cccnc3)[nH]c2c1C[NH+]1CCCC1 ZINC000075487315 494775601 /nfs/dbraw/zinc/77/56/01/494775601.db2.gz PNYJYKMXGPIEBP-UHFFFAOYSA-N 1 0 354.479 3.459 10 0 FGAERO CNC(=O)c1cc(NC(=O)N[C@H](C[NH+](C)C)c2ccccc2)ccc1Cl ZINC000047814453 494779847 /nfs/dbraw/zinc/77/98/47/494779847.db2.gz CIXFJMQAGWUTNB-QGZVFWFLSA-N 1 0 374.872 3.124 10 0 FGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccccc1CC(=O)OC(C)(C)C ZINC000092927474 494788590 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10 0 FGAERO CCCOc1cc(C[NH+]2CCC(N(C)c3cccnn3)CC2)ccc1OC ZINC000093272670 494853860 /nfs/dbraw/zinc/85/38/60/494853860.db2.gz OOCDDVUDUQHJSG-UHFFFAOYSA-N 1 0 370.497 3.375 10 0 FGAERO C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(-c3ccc(Cl)cc3)s2)CCO1 ZINC000116796048 494853960 /nfs/dbraw/zinc/85/39/60/494853960.db2.gz YNMIIAAAPDOYNI-OAHLLOKOSA-N 1 0 364.898 3.471 10 0 FGAERO CC[N@H+](C)[C@@H](C(=O)N1CCC[C@@H]1c1c(C)nn(C)c1C)c1ccccc1 ZINC000109284803 494854619 /nfs/dbraw/zinc/85/46/19/494854619.db2.gz ZYDCAKFCBAEPCB-UYAOXDASSA-N 1 0 354.498 3.393 10 0 FGAERO Cn1cc([C@H]2CC[N@H+](CCOc3ccccc3Br)C2)cn1 ZINC000126899293 494858234 /nfs/dbraw/zinc/85/82/34/494858234.db2.gz ARSYMJXOQBXMSW-ZDUSSCGKSA-N 1 0 350.260 3.051 10 0 FGAERO Cc1cc2ncc([C@@H](C)[NH2+][C@@H](C)c3ccc(S(C)(=O)=O)cc3)c(C)n2n1 ZINC000093401847 494887178 /nfs/dbraw/zinc/88/71/78/494887178.db2.gz DUPWGRPLAXKRBB-UONOGXRCSA-N 1 0 372.494 3.161 10 0 FGAERO COc1cc(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)ccc1OCc1ccncc1 ZINC000093437331 494891502 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CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cncc(-c2ccc(OC)cc2)c1 ZINC000133825749 495066414 /nfs/dbraw/zinc/06/64/14/495066414.db2.gz KZJRXGWEQDFLER-VQTJNVASSA-N 1 0 365.477 3.456 10 0 FGAERO CCCC(=O)N[C@H]1CCCN(Cc2cc(Br)ccc2F)C1 ZINC000101563123 495077209 /nfs/dbraw/zinc/07/72/09/495077209.db2.gz SZAPQONFNCHUOD-AWEZNQCLSA-N 1 0 357.267 3.469 10 0 FGAERO CCCC(=O)N[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000101564108 495078182 /nfs/dbraw/zinc/07/81/82/495078182.db2.gz SIFWCUFYXJJSSB-AWEZNQCLSA-N 1 0 351.878 3.049 10 0 FGAERO Cc1csc([C@@H]2CCCN(C(=O)NC3CCC(C[NH+](C)C)CC3)C2)n1 ZINC000119078962 495087600 /nfs/dbraw/zinc/08/76/00/495087600.db2.gz HRUZYCFCOOENNY-AQFXKWCLSA-N 1 0 364.559 3.461 10 0 FGAERO CC[N@H+](C[C@H](O)CN1CCCC1=O)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000111685483 495095351 /nfs/dbraw/zinc/09/53/51/495095351.db2.gz OZZZRNRZDFPJJO-BBRMVZONSA-N 1 0 358.404 3.072 10 0 FGAERO CCCCOc1cc(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)ccc1OC ZINC000128444462 495097948 /nfs/dbraw/zinc/09/79/48/495097948.db2.gz SRAXEQCZEVVBER-SFHVURJKSA-N 1 0 358.486 3.378 10 0 FGAERO CCC[C@@H](C(=O)NC1CCN(C(=O)[C@@H](CC)c2ccccc2)CC1)[NH+](C)C ZINC000128485442 495104135 /nfs/dbraw/zinc/10/41/35/495104135.db2.gz PORSARQTIXYIAK-PMACEKPBSA-N 1 0 373.541 3.018 10 0 FGAERO C[C@@H](C[NH2+][C@@H]1CCCc2nc(-c3ccccc3)sc21)N1CCOCC1 ZINC000123272270 495107222 /nfs/dbraw/zinc/10/72/22/495107222.db2.gz WZAKNJLIPCMTAI-DOTOQJQBSA-N 1 0 357.523 3.498 10 0 FGAERO Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000128518082 495110100 /nfs/dbraw/zinc/11/01/00/495110100.db2.gz KWZVGECPOJVNRK-MRXNPFEDSA-N 1 0 353.445 3.351 10 0 FGAERO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CCCn2nc(C)nc21)CC3 ZINC000123451601 495134068 /nfs/dbraw/zinc/13/40/68/495134068.db2.gz XMVHUEZWJNYYOX-YJYMSZOUSA-N 1 0 351.454 3.058 10 0 FGAERO CCc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)cc1 ZINC000102686616 495153537 /nfs/dbraw/zinc/15/35/37/495153537.db2.gz XOFMZYYCDNXHRN-CABCVRRESA-N 1 0 351.450 3.273 10 0 FGAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(OC(F)(F)F)cc1)CC2 ZINC000112550683 495203929 /nfs/dbraw/zinc/20/39/29/495203929.db2.gz NJXWNCJGOOPTTO-YPMHNXCESA-N 1 0 354.376 3.405 10 0 FGAERO C[C@@H](NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)c1nc(C2CC2)no1 ZINC000112550114 495204237 /nfs/dbraw/zinc/20/42/37/495204237.db2.gz HAEPDKGHABWRJP-DNVCBOLYSA-N 1 0 370.497 3.043 10 0 FGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N[C@H](C)c1noc(-c2ccccc2)n1 ZINC000134830873 495207786 /nfs/dbraw/zinc/20/77/86/495207786.db2.gz GOMBNWNSGQLFRH-ZBFHGGJFSA-N 1 0 359.474 3.073 10 0 FGAERO C[C@@H]1CCCN(c2cc(N3CCC[C@H](CNC(=O)C(C)(C)C)C3)ncn2)C1 ZINC000112695536 495224286 /nfs/dbraw/zinc/22/42/86/495224286.db2.gz DFGDDKPJZCNQRP-IAGOWNOFSA-N 1 0 373.545 3.092 10 0 FGAERO CCCOc1ccc(OCC[N@@H+]2CCC[C@H](c3nncn3CC)C2)cc1 ZINC000103477758 495240793 /nfs/dbraw/zinc/24/07/93/495240793.db2.gz JJJVMOJGQXXMME-KRWDZBQOSA-N 1 0 358.486 3.345 10 0 FGAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H](COCc2ccccc2)C1 ZINC000124150890 495242481 /nfs/dbraw/zinc/24/24/81/495242481.db2.gz UCNHOFRYZGLONX-NHCUHLMSSA-N 1 0 373.541 3.355 10 0 FGAERO Cc1ccc(C[NH2+][C@@H]2CCCN(c3cccnn3)C2)cc1Br ZINC000119997396 495285102 /nfs/dbraw/zinc/28/51/02/495285102.db2.gz UUSRMSOTDFTBNP-OAHLLOKOSA-N 1 0 361.287 3.306 10 0 FGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1csc(-c2cccc(F)c2)n1 ZINC000113229077 495287236 /nfs/dbraw/zinc/28/72/36/495287236.db2.gz UELOCHRWRCYOLJ-SUMWQHHRSA-N 1 0 359.470 3.187 10 0 FGAERO Cc1ccc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)cc1NC(=O)c1ccco1 ZINC000113230972 495287259 /nfs/dbraw/zinc/28/72/59/495287259.db2.gz QVRVJPFUUVTDAJ-RDJZCZTQSA-N 1 0 367.449 3.149 10 0 FGAERO Cc1nc(Cc2ccccc2)sc1C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000113231621 495287560 /nfs/dbraw/zinc/28/75/60/495287560.db2.gz BWTTZAPPLGWALA-WMLDXEAASA-N 1 0 355.507 3.351 10 0 FGAERO CC(C)[N@H+]1C[C@H](NC(=O)NCCc2coc(-c3ccc(F)cc3)n2)[C@@H](C)C1 ZINC000120012243 495288340 /nfs/dbraw/zinc/28/83/40/495288340.db2.gz GRCRUIPOLROSMV-KSSFIOAISA-N 1 0 374.460 3.051 10 0 FGAERO C[C@H](NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C)c1ccccc1Br ZINC000113580129 495317101 /nfs/dbraw/zinc/31/71/01/495317101.db2.gz YTOJBIRNHHYYBF-MELADBBJSA-N 1 0 366.303 3.388 10 0 FGAERO CCc1csc([C@@H]2CCCN(C(=O)NCC[N@@H+]3CCC[C@H](C)C3)C2)n1 ZINC000113591703 495318653 /nfs/dbraw/zinc/31/86/53/495318653.db2.gz KLGYIFPGAAAGFW-JKSUJKDBSA-N 1 0 364.559 3.326 10 0 FGAERO CCc1csc([C@H]2CCCN(C(=O)NC[C@@H](C)[NH+](CC)CC)C2)n1 ZINC000113591155 495318969 /nfs/dbraw/zinc/31/89/69/495318969.db2.gz VSPWRTBJLWLVKZ-CABCVRRESA-N 1 0 352.548 3.325 10 0 FGAERO O=C(Nc1cc2c(cc1Cl)OCCCO2)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000104988107 495322339 /nfs/dbraw/zinc/32/23/39/495322339.db2.gz UMNIGRJOACAEHR-CYBMUJFWSA-N 1 0 365.861 3.203 10 0 FGAERO C[C@H](NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1ccccc1Br ZINC000105081968 495333749 /nfs/dbraw/zinc/33/37/49/495333749.db2.gz WRXVQBVFPCHDIP-UONOGXRCSA-N 1 0 366.303 3.390 10 0 FGAERO CC(=O)CCc1ccc(OCC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)cc1 ZINC000130049929 495333754 /nfs/dbraw/zinc/33/37/54/495333754.db2.gz PLJRRUKSLLLLAG-NRFANRHFSA-N 1 0 368.477 3.006 10 0 FGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc(Br)c1Cl ZINC000136090032 495355824 /nfs/dbraw/zinc/35/58/24/495355824.db2.gz RYAUKTFIIIMILN-WDEREUQCSA-N 1 0 357.679 3.411 10 0 FGAERO C[NH+](C)C[C@H](NC(=O)Nc1ccccc1O[C@@H]1CCOC1)c1ccccc1 ZINC000120361861 495360134 /nfs/dbraw/zinc/36/01/34/495360134.db2.gz RPAJCMZQIPZFAC-MJGOQNOKSA-N 1 0 369.465 3.279 10 0 FGAERO C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)C1 ZINC000130387745 495384784 /nfs/dbraw/zinc/38/47/84/495384784.db2.gz QCRORBNIGLQXRS-WMZOPIPTSA-N 1 0 357.498 3.416 10 0 FGAERO Cc1ccc(NC(=O)CN(C)C(=O)C[NH2+][C@@H](C)c2ccccc2C)cc1 ZINC000120478273 495387737 /nfs/dbraw/zinc/38/77/37/495387737.db2.gz VTIHWENRUKSZGF-KRWDZBQOSA-N 1 0 353.466 3.051 10 0 FGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cc(Br)ccc1F ZINC000120556441 495404166 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370.526 3.394 10 0 FGAERO CC[NH+](CC)Cc1cccc(CNC(=O)N2CCC[C@H]2c2cnn(C)c2)c1 ZINC000171459357 495883168 /nfs/dbraw/zinc/88/31/68/495883168.db2.gz TWMUVXWSDMGFFI-FQEVSTJZSA-N 1 0 369.513 3.309 10 0 FGAERO CC(=O)Nc1cccc([C@@H](C)NC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC000151577323 495884114 /nfs/dbraw/zinc/88/41/14/495884114.db2.gz LRDYFVJAJAJXTR-DNVCBOLYSA-N 1 0 360.502 3.126 10 0 FGAERO CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](n2cc(C)cn2)C1 ZINC000155238838 495886858 /nfs/dbraw/zinc/88/68/58/495886858.db2.gz HYJRXDNMCBRWRT-QUCCMNQESA-N 1 0 354.498 3.266 10 0 FGAERO CC[C@@H]1CN(C(=O)CC2CCC(C(F)(F)F)CC2)CC[N@@H+]1C[C@@H](C)O ZINC000183223751 495887472 /nfs/dbraw/zinc/88/74/72/495887472.db2.gz XNFWLSMMWOKQIA-PRLABOORSA-N 1 0 364.452 3.049 10 0 FGAERO CCOc1c(Cl)cc(C(=O)N(C)C[C@H]2CCC[N@@H+]2CC)cc1OC ZINC000177029177 495890772 /nfs/dbraw/zinc/89/07/72/495890772.db2.gz CPRUGMBKCOKPEN-CQSZACIVSA-N 1 0 354.878 3.304 10 0 FGAERO C[C@@H](C[NH2+][C@@H](c1ccc(Br)cc1)c1cncnc1)C[C@H](C)O 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DIGMBHCNGSHEST-PWIZWCRZSA-N 1 0 372.509 3.438 10 0 FGAERO C[C@@H]([NH2+][C@H](C)c1cccc(-n2ccnc2)c1)c1ccc(-n2cnnn2)cc1 ZINC000151714136 495926516 /nfs/dbraw/zinc/92/65/16/495926516.db2.gz SQAXYZZUDNUELO-HZPDHXFCSA-N 1 0 359.437 3.260 10 0 FGAERO COC(=O)CCc1ccc(NC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)cc1 ZINC000171562546 495928560 /nfs/dbraw/zinc/92/85/60/495928560.db2.gz STAGNLZCZSVXSB-IBGZPJMESA-N 1 0 369.465 3.217 10 0 FGAERO CC(C)[C@@H](CNC(=O)N1CCC[C@H]1c1cnn(C)c1)[NH+]1CCC(C)CC1 ZINC000171564632 495929144 /nfs/dbraw/zinc/92/91/44/495929144.db2.gz GARVZSYTSIDQFI-RBUKOAKNSA-N 1 0 361.534 3.023 10 0 FGAERO CNc1cc(N2CCC[C@@H]2CNC(=O)Nc2ccccc2SC)ncn1 ZINC000174428090 495955439 /nfs/dbraw/zinc/95/54/39/495955439.db2.gz NNMGUXCPRHIWFD-CYBMUJFWSA-N 1 0 372.498 3.031 10 0 FGAERO C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000171643878 495962127 /nfs/dbraw/zinc/96/21/27/495962127.db2.gz WOBKRRYYVXLZLP-DLBZAZTESA-N 1 0 370.472 3.174 10 0 FGAERO 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FGAERO O=C(NC[C@@H](O)C[NH+]1CCCCC1)N[C@@H](CC1CCC1)c1ccccc1 ZINC000183619433 496051822 /nfs/dbraw/zinc/05/18/22/496051822.db2.gz ZVADAWHQHDMPFW-UXHICEINSA-N 1 0 359.514 3.064 10 0 FGAERO C[C@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000180581395 496054342 /nfs/dbraw/zinc/05/43/42/496054342.db2.gz AAGOYPVLLNKQER-USXIJHARSA-N 1 0 374.460 3.031 10 0 FGAERO C[NH+](C)C[C@@H](NC(=O)Nc1cnn(-c2ccccc2F)c1)c1ccccc1 ZINC000152137160 496058139 /nfs/dbraw/zinc/05/81/39/496058139.db2.gz JHMCKAHHTJGCAA-GOSISDBHSA-N 1 0 367.428 3.436 10 0 FGAERO CN(CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)C(=O)Cc1ccsc1 ZINC000177461490 496070497 /nfs/dbraw/zinc/07/04/97/496070497.db2.gz CUFQFWITGCLSMP-HXUWFJFHSA-N 1 0 372.534 3.195 10 0 FGAERO CN(CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)C(=O)/C=C/c1ccco1 ZINC000177467969 496072780 /nfs/dbraw/zinc/07/27/80/496072780.db2.gz KZKXOSACBYJBML-LCCNJJIFSA-N 1 0 368.477 3.197 10 0 FGAERO CCn1cnnc1C1CC[NH+](Cc2ccc(-n3nc(C)cc3C)cc2)CC1 ZINC000152186681 496074998 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COc1ccc([C@H](C)[NH2+]CC(=O)N(C)Cc2ccccc2F)cc1OC ZINC000180879209 496183702 /nfs/dbraw/zinc/18/37/02/496183702.db2.gz TZJVBEMYCALQSP-AWEZNQCLSA-N 1 0 360.429 3.152 10 0 FGAERO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(C(C)=O)cc2)cc1OC ZINC000180886949 496186063 /nfs/dbraw/zinc/18/60/63/496186063.db2.gz WWCQAAOEACWDQH-ZDUSSCGKSA-N 1 0 356.422 3.196 10 0 FGAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000156309001 496212274 /nfs/dbraw/zinc/21/22/74/496212274.db2.gz AVINURMRXDSNLD-GOSISDBHSA-N 1 0 358.486 3.055 10 0 FGAERO O=S(=O)(Cc1ccc(F)cc1)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000180949720 496214279 /nfs/dbraw/zinc/21/42/79/496214279.db2.gz UUCQTTJLESAGAA-GOSISDBHSA-N 1 0 360.454 3.140 10 0 FGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1ccc(Br)cc1 ZINC000175048739 496225374 /nfs/dbraw/zinc/22/53/74/496225374.db2.gz XEXQIOYGRYXWFC-HZPDHXFCSA-N 1 0 351.288 3.077 10 0 FGAERO COc1ccc2nc(C[N@@H+]3CCC[C@H](Cn4nc(C)nc4C)C3)sc2c1 ZINC000186985299 496240755 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[NH3+][C@@H]1CCC[C@H](C(=O)Nc2ccc(-n3nccc3C(F)(F)F)cc2)C1 ZINC000152961378 496308490 /nfs/dbraw/zinc/30/84/90/496308490.db2.gz WFJFWJFWEGMQHJ-NWDGAFQWSA-N 1 0 352.360 3.347 10 0 FGAERO CCC[C@@H](C(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1)[NH+](C)C ZINC000162207342 496315023 /nfs/dbraw/zinc/31/50/23/496315023.db2.gz ZHFMNPSEMRBBST-ZWKOTPCHSA-N 1 0 352.906 3.342 10 0 FGAERO C[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)[C@@H]1CCCO1 ZINC000156718921 496318598 /nfs/dbraw/zinc/31/85/98/496318598.db2.gz XZSCIYXSPUOMBX-XEYPJELSSA-N 1 0 359.514 3.248 10 0 FGAERO O=C(CCCc1ccccc1Br)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178113563 496335325 /nfs/dbraw/zinc/33/53/25/496335325.db2.gz KNHIUKBVLHFPPX-OAHLLOKOSA-N 1 0 351.288 3.078 10 0 FGAERO C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178113073 496335491 /nfs/dbraw/zinc/33/54/91/496335491.db2.gz RQGQQALRTCZUIH-GXTWGEPZSA-N 1 0 369.278 3.073 10 0 FGAERO C[C@@H]1C[C@@H](N(C)Cc2nnc(C3CC3)n2C)CC[N@@H+]1Cc1ccccc1 ZINC000156921625 496363926 /nfs/dbraw/zinc/36/39/26/496363926.db2.gz UJVLBRDIWZLJAH-APWZRJJASA-N 1 0 353.514 3.177 10 0 FGAERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1c(Cl)cccc1Cl ZINC000175396224 496372883 /nfs/dbraw/zinc/37/28/83/496372883.db2.gz UGOIHGXUJILPML-NSHDSACASA-N 1 0 351.299 3.098 10 0 FGAERO CC(C)c1nc2c(n1C)CCN(C(=O)[C@H]1CC[N@@H+](C3CCCCC3)C1)C2 ZINC000178232816 496379527 /nfs/dbraw/zinc/37/95/27/496379527.db2.gz XZVCJTYZGZGVCV-INIZCTEOSA-N 1 0 358.530 3.083 10 0 FGAERO COCCCOc1cccc(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)c1 ZINC000172703472 496393027 /nfs/dbraw/zinc/39/30/27/496393027.db2.gz HYCPHUVFAAPBEC-HXUWFJFHSA-N 1 0 356.466 3.135 10 0 FGAERO C[C@@H](CCC(=O)NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000162695813 496398243 /nfs/dbraw/zinc/39/82/43/496398243.db2.gz BOMUDEJGLRYZKH-AVRDEDQJSA-N 1 0 366.505 3.106 10 0 FGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(C(=O)N(CC)CC)cc1 ZINC000181478304 496413205 /nfs/dbraw/zinc/41/32/05/496413205.db2.gz WYOADADKPDNXFA-RBUKOAKNSA-N 1 0 372.513 3.259 10 0 FGAERO C[C@@H](NC(=O)N1CCC(OCCC[NH+](C)C)CC1)c1ccc(F)c(F)c1 ZINC000175500501 496417577 /nfs/dbraw/zinc/41/75/77/496417577.db2.gz NSDJLQWDORXFRS-CQSZACIVSA-N 1 0 369.456 3.168 10 0 FGAERO COc1cc(CNC(=O)[C@H](Cc2ccccc2)[NH+](C)C)c2ccccc2n1 ZINC000172765024 496421432 /nfs/dbraw/zinc/42/14/32/496421432.db2.gz YTAMNVGRXFYHDD-FQEVSTJZSA-N 1 0 363.461 3.033 10 0 FGAERO C[C@@H](COCc1ccccc1)NC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000175528865 496427781 /nfs/dbraw/zinc/42/77/81/496427781.db2.gz DPTGGOIBRBWCKR-MOPGFXCFSA-N 1 0 361.530 3.403 10 0 FGAERO COc1cc(C)c(Br)cc1NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000184558950 496439265 /nfs/dbraw/zinc/43/92/65/496439265.db2.gz FROHUFVQQYXYQQ-GFCCVEGCSA-N 1 0 368.275 3.078 10 0 FGAERO CCc1nn(C)c(CC)c1C[N@@H+]1CCCN(Cc2csc(C)n2)CC1 ZINC000157264717 496441349 /nfs/dbraw/zinc/44/13/49/496441349.db2.gz XNFUWKRUDLSUEB-UHFFFAOYSA-N 1 0 361.559 3.018 10 0 FGAERO CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1cccs1 ZINC000172871130 496469364 /nfs/dbraw/zinc/46/93/64/496469364.db2.gz IKPOIKGEGONHLK-LSDHHAIUSA-N 1 0 373.522 3.447 10 0 FGAERO [NH3+][C@H]1CCC[C@H](C(=O)Nc2ccc(-c3noc(C(F)(F)F)n3)cc2)C1 ZINC000178495495 496475474 /nfs/dbraw/zinc/47/54/74/496475474.db2.gz DGHPGCZAZUADCU-QWRGUYRKSA-N 1 0 354.332 3.211 10 0 FGAERO CC1(C(=O)N2CCO[C@@H]3CCCC[C@H]32)CC[NH+](Cc2ccccc2)CC1 ZINC000184671337 496487971 /nfs/dbraw/zinc/48/79/71/496487971.db2.gz BZZYYQRZNLBXPO-WOJBJXKFSA-N 1 0 356.510 3.459 10 0 FGAERO C[C@@H](NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccccc1 ZINC000163248366 496488056 /nfs/dbraw/zinc/48/80/56/496488056.db2.gz XYIKGAGCYYPLKD-XHSDSOJGSA-N 1 0 374.506 3.007 10 0 FGAERO O=C(CCCc1ccccc1Br)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000178602850 496512988 /nfs/dbraw/zinc/51/29/88/496512988.db2.gz CVUPUCYUHGEVAK-INIZCTEOSA-N 1 0 365.315 3.469 10 0 FGAERO Cc1cc(N2CCC[C@H]([NH2+]Cc3cnc(C4CCCC4)s3)C2=O)n(C)n1 ZINC000178628216 496521152 /nfs/dbraw/zinc/52/11/52/496521152.db2.gz GSPYRFHQIXIOKS-INIZCTEOSA-N 1 0 373.526 3.128 10 0 FGAERO CCc1ccc([C@H]2CCCCN2C(=O)NCC[N@H+](C)CCCOC)o1 ZINC000175736803 496522584 /nfs/dbraw/zinc/52/25/84/496522584.db2.gz UWISKUZJZUKWAA-QGZVFWFLSA-N 1 0 351.491 3.047 10 0 FGAERO C[C@H]([NH2+][C@@H](CN(C)C)c1ccccc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000163826879 496562519 /nfs/dbraw/zinc/56/25/19/496562519.db2.gz KYKFQBNBJXXBHH-KXBFYZLASA-N 1 0 361.511 3.012 10 0 FGAERO COC(=O)c1ccsc1N1CC[C@@H]([NH2+][C@@H](C)c2ccccc2C)C1=O ZINC000173193897 496587969 /nfs/dbraw/zinc/58/79/69/496587969.db2.gz MMRURQNOCXZWNT-XJKSGUPXSA-N 1 0 358.463 3.299 10 0 FGAERO CC[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1cc(F)cc(Br)c1 ZINC000181935984 496604695 /nfs/dbraw/zinc/60/46/95/496604695.db2.gz IVGUOLSIVZPIJO-UONOGXRCSA-N 1 0 353.239 3.235 10 0 FGAERO CC(C)[N@H+]1C[C@H](NC(=O)Nc2ccc(Br)cc2F)[C@@H](C)C1 ZINC000164434757 496612019 /nfs/dbraw/zinc/61/20/19/496612019.db2.gz ANYOFMWMEINWRI-HZMBPMFUSA-N 1 0 358.255 3.438 10 0 FGAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccc(Br)c(C(F)(F)F)c2)C1 ZINC000158034965 496612365 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FGAERO O=C(N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)c1cc(Cl)ccn1 ZINC000311190387 713801601 /nfs/dbraw/zinc/80/16/01/713801601.db2.gz CKYYIWKXCXRZIL-KBAYOESNSA-N 1 0 355.869 3.375 10 0 FGAERO CN(C(=O)c1cccc(Br)c1Cl)[C@H](C[NH3+])C(F)(F)F ZINC000662984536 720469436 /nfs/dbraw/zinc/46/94/36/720469436.db2.gz LUVCUSPLUOXLIG-MRVPVSSYSA-N 1 0 359.573 3.064 10 0 FGAERO OC1(C[NH2+][C@@H]2CCOc3ccc(Br)cc32)CCSCC1 ZINC000702277395 722410465 /nfs/dbraw/zinc/41/04/65/722410465.db2.gz IPHYPXSNHHWXEZ-CYBMUJFWSA-N 1 0 358.301 3.120 10 0 FGAERO C[C@H]([NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)c1ccc(Cl)cc1 ZINC000702812184 722410935 /nfs/dbraw/zinc/41/09/35/722410935.db2.gz DIUYIDBYLJJYDI-NOLJZWGESA-N 1 0 354.878 3.218 10 0 FGAERO CCc1ccc([C@H](C)[NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)s1 ZINC000705766741 722412032 /nfs/dbraw/zinc/41/20/32/722412032.db2.gz LRDIBAJWGBZHCJ-KCQAQPDRSA-N 1 0 354.516 3.189 10 0 FGAERO CC(C)(C)OC(=O)NC1CC(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)C1 ZINC000713460608 722414689 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OCC1(C[C@H]2CCCCO2)CC[NH+](Cc2cccn2-c2cccnc2)CC1 ZINC000012434961 207376083 /nfs/dbraw/zinc/37/60/83/207376083.db2.gz BFAFHMHDPFHILB-OAQYLSRUSA-N 1 0 369.509 3.406 10 0 FGAERO O=C1CC[C@@H](CC[NH2+]Cc2cccc(C(F)(F)F)c2)N1C[C@@H]1CCCO1 ZINC000014980118 207535718 /nfs/dbraw/zinc/53/57/18/207535718.db2.gz XRGFWJYOOOAJIQ-IRXDYDNUSA-N 1 0 370.415 3.355 10 0 FGAERO COc1ccc([C@@H]([NH3+])c2cccc(I)c2)cc1F ZINC000035424502 208124181 /nfs/dbraw/zinc/12/41/81/208124181.db2.gz CFZDECGNZNMJBW-AWEZNQCLSA-N 1 0 357.166 3.487 10 0 FGAERO CCN(CCCn1c(=O)[nH]c2ccc(Cl)cc2c1=O)c1ccccc1 ZINC000073658308 208188181 /nfs/dbraw/zinc/18/81/81/208188181.db2.gz QMXAWGJZZGSBEX-UHFFFAOYSA-N 1 0 357.841 3.260 10 0 FGAERO CC1(C)CC(Nc2ncnc(N3CCc4ccccc43)c2N)CC(C)(C)[NH2+]1 ZINC000040687347 208260840 /nfs/dbraw/zinc/26/08/40/208260840.db2.gz SHGQNALCLKNAGB-UHFFFAOYSA-N 1 0 366.513 3.474 10 0 FGAERO CC(C)(C)NNc1[nH+]cnc(Nc2ccc(Br)cc2)c1N ZINC000040782286 208270280 /nfs/dbraw/zinc/27/02/80/208270280.db2.gz IKBAPEYMKYAALI-UHFFFAOYSA-N 1 0 351.252 3.280 10 0 FGAERO Cc1cc(Oc2ncnc(N(C)C3CC[NH+](C)CC3)c2N)ccc1Cl ZINC000040798141 208270516 /nfs/dbraw/zinc/27/05/16/208270516.db2.gz QFRRGEOCLMPSCK-UHFFFAOYSA-N 1 0 361.877 3.343 10 0 FGAERO COCC[NH+]1CCC(C[N@H+](C)[C@H](C(=O)[O-])c2c(C)cc(C)cc2C)CC1 ZINC000095357567 209026031 /nfs/dbraw/zinc/02/60/31/209026031.db2.gz SMXCNMNIHSMQOQ-FQEVSTJZSA-N 1 0 362.514 3.028 10 0 FGAERO O=C(Nc1ccc(Br)c(C(F)(F)F)c1)[C@H]1CCC[NH2+]C1 ZINC000037014780 257337994 /nfs/dbraw/zinc/33/79/94/257337994.db2.gz DNZIXSIFMJKJCT-QMMMGPOBSA-N 1 0 351.166 3.406 10 0 FGAERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)Nc2cc(F)ccc2F)C1 ZINC000190442909 257368544 /nfs/dbraw/zinc/36/85/44/257368544.db2.gz KTYLUXGSANBUTM-HNNXBMFYSA-N 1 0 360.408 3.346 10 0 FGAERO C[C@H](NC(=O)NC[C@H](O)C[NH+]1CCCCC1)c1ccc(Cl)cc1Cl ZINC000049172679 493864182 /nfs/dbraw/zinc/86/41/82/493864182.db2.gz WWPBMBZQURJQPD-JSGCOSHPSA-N 1 0 374.312 3.200 10 0 FGAERO CC[NH+](CC)CCOc1ccc(NC(=O)N[C@@H]2CCCC[C@@H]2CO)cc1 ZINC000081628396 493932579 /nfs/dbraw/zinc/93/25/79/493932579.db2.gz VAVCXKJVRLFUHT-VQIMIIECSA-N 1 0 363.502 3.080 10 0 FGAERO CC[N@@H+]1CCC[C@@H](NC(=O)N(CCc2ccccc2)Cc2cccnc2)C1 ZINC000052592283 494044278 /nfs/dbraw/zinc/04/42/78/494044278.db2.gz KIPXRHLZUZNMON-OAQYLSRUSA-N 1 0 366.509 3.320 10 0 FGAERO CCOC(=O)c1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(F)c(F)c2)cc1 ZINC000008248090 494078548 /nfs/dbraw/zinc/07/85/48/494078548.db2.gz KWEAHQOQIJMSTI-LBPRGKRZSA-N 1 0 362.376 3.431 10 0 FGAERO O=C(NCc1ccccc1)c1cccc(N2CC[NH2+][C@@H](c3ccccc3)C2)n1 ZINC000065256238 494183073 /nfs/dbraw/zinc/18/30/73/494183073.db2.gz WZOPXONOCXRKEO-OAQYLSRUSA-N 1 0 372.472 3.163 10 0 FGAERO CNC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cccc(Cl)c2)c1 ZINC000042334119 494217801 /nfs/dbraw/zinc/21/78/01/494217801.db2.gz PDOKLPPJNSQJFC-STQMWFEESA-N 1 0 359.857 3.377 10 0 FGAERO COc1ccc([C@H](C)NC(=O)C[C@H]2CCC[NH2+]C2)cc1Br ZINC000054307447 494219571 /nfs/dbraw/zinc/21/95/71/494219571.db2.gz RDODONADSMORFM-NWDGAFQWSA-N 1 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ZINC000073490002 494377254 /nfs/dbraw/zinc/37/72/54/494377254.db2.gz AVSXWMBDYLDJGE-STQMWFEESA-N 1 0 354.292 3.294 10 0 FGAERO C[C@H](NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)c1ccc2c(c1)OCCO2 ZINC000073500963 494380195 /nfs/dbraw/zinc/38/01/95/494380195.db2.gz PAVIAUPZSJCVNQ-DOTOQJQBSA-N 1 0 361.486 3.035 10 0 FGAERO C[C@@H](NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)c1ccc2c(c1)OCCO2 ZINC000073500964 494380226 /nfs/dbraw/zinc/38/02/26/494380226.db2.gz PAVIAUPZSJCVNQ-NVXWUHKLSA-N 1 0 361.486 3.035 10 0 FGAERO COC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000066832169 494419232 /nfs/dbraw/zinc/41/92/32/494419232.db2.gz NVUGKSNAWZOSBB-GOSISDBHSA-N 1 0 352.434 3.324 10 0 FGAERO COc1ccc([C@H](C)[NH2+][C@H](C)C(=O)NCCc2ccc(F)cc2)cc1OC ZINC000079306680 494433990 /nfs/dbraw/zinc/43/39/90/494433990.db2.gz WQFPSSVTHFMUMI-LSDHHAIUSA-N 1 0 374.456 3.241 10 0 FGAERO Cc1n[nH]cc1CCCNC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000067005476 494454273 /nfs/dbraw/zinc/45/42/73/494454273.db2.gz NNKJINAEXMLZKX-FQEVSTJZSA-N 1 0 369.513 3.005 10 0 FGAERO CC(C)CC[NH+]1CCC(CNC(=O)[C@H](NC(=O)CC(C)C)C(C)C)CC1 ZINC000079654693 494502316 /nfs/dbraw/zinc/50/23/16/494502316.db2.gz PBZZILXUIKKJLG-HXUWFJFHSA-N 1 0 367.578 3.048 10 0 FGAERO CCCNC(=O)c1ccc(NC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)cc1 ZINC000056642184 494541843 /nfs/dbraw/zinc/54/18/43/494541843.db2.gz DCYOBHKONWGFQC-IBGZPJMESA-N 1 0 368.481 3.251 10 0 FGAERO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)C1 ZINC000107704012 494587572 /nfs/dbraw/zinc/58/75/72/494587572.db2.gz ACQIOMWEZSKXQR-UWJYYQICSA-N 1 0 373.541 3.282 10 0 FGAERO O=C(NCCc1csc(-c2ccccc2)n1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000131378280 494600091 /nfs/dbraw/zinc/60/00/91/494600091.db2.gz FOJWHMPMLLRIGE-SFHVURJKSA-N 1 0 370.522 3.232 10 0 FGAERO Cc1cccc2c(N3CCC(C(=O)NCc4cccnc4)CC3)cc[nH+]c12 ZINC000091480775 494608350 /nfs/dbraw/zinc/60/83/50/494608350.db2.gz XCTKLBAVFXERBJ-UHFFFAOYSA-N 1 0 360.461 3.471 10 0 FGAERO CC1(C)C[C@H](NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c2ccccc2O1 ZINC000121131274 494610296 /nfs/dbraw/zinc/61/02/96/494610296.db2.gz HOYIXMSPJDNMOD-AEFFLSMTSA-N 1 0 357.498 3.416 10 0 FGAERO CC(C)[C@H](CNC(=O)N[C@@H]1CC[C@@H](C)c2ccccc21)[NH+]1CCN(C)CC1 ZINC000121158538 494622968 /nfs/dbraw/zinc/62/29/68/494622968.db2.gz VPODMIYPYFFLHT-UIFIKXQLSA-N 1 0 372.557 3.196 10 0 FGAERO CN(c1cccnn1)C1CC[NH+](CCOc2ccc(F)cc2Cl)CC1 ZINC000091742369 494662745 /nfs/dbraw/zinc/66/27/45/494662745.db2.gz NLGZKZGDIJHFKA-UHFFFAOYSA-N 1 0 364.852 3.249 10 0 FGAERO O[C@H](COCc1ccccc1)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000025227926 494711713 /nfs/dbraw/zinc/71/17/13/494711713.db2.gz GRQODLHYLSGGRF-VQTJNVASSA-N 1 0 369.461 3.172 10 0 FGAERO Cc1ccccc1C(=O)N[C@H](C(=O)Nc1cccc(C[NH+](C)C)c1)C(C)C ZINC000047453133 494713393 /nfs/dbraw/zinc/71/33/93/494713393.db2.gz OYOWOEZOGHKAKE-FQEVSTJZSA-N 1 0 367.493 3.450 10 0 FGAERO Cc1cc(N2CCC[C@H]([NH2+]Cc3cc(Cl)cc(Cl)c3)C2=O)n(C)n1 ZINC000080554681 494734162 /nfs/dbraw/zinc/73/41/62/494734162.db2.gz HDPZKZOYCXLLDQ-HNNXBMFYSA-N 1 0 367.280 3.321 10 0 FGAERO COc1ccc(CN(C)C(=O)[C@H](C)[N@@H+]2CCC[C@@H]2c2ccco2)cc1OC ZINC000116295153 494754055 /nfs/dbraw/zinc/75/40/55/494754055.db2.gz SAOMMGHWPMWIHR-DOTOQJQBSA-N 1 0 372.465 3.481 10 0 FGAERO CCn1cc(C2CC[NH+](Cc3ccccc3N3CCOCC3)CC2)cn1 ZINC000092809345 494755461 /nfs/dbraw/zinc/75/54/61/494755461.db2.gz URFAMHWAAQGBBS-UHFFFAOYSA-N 1 0 354.498 3.119 10 0 FGAERO Cn1cc([C@H]2CC[N@H+](CCC(=O)Nc3ccc(Cl)cc3F)C2)cn1 ZINC000116319684 494760846 /nfs/dbraw/zinc/76/08/46/494760846.db2.gz TXMORUSQKCZMQL-LBPRGKRZSA-N 1 0 350.825 3.031 10 0 FGAERO COc1ccc(C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)cc1Br ZINC000116407935 494775937 /nfs/dbraw/zinc/77/59/37/494775937.db2.gz YLRWDCQZVNQMNP-CYBMUJFWSA-N 1 0 350.260 3.181 10 0 FGAERO C[N@H+](C[C@@H](O)COCc1ccccc1)C1CCN(Cc2ccccc2)CC1 ZINC000121624549 494824564 /nfs/dbraw/zinc/82/45/64/494824564.db2.gz DTPTUVHGCVOYJA-HSZRJFAPSA-N 1 0 368.521 3.161 10 0 FGAERO 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Cc1cccc(C2(C(=O)N(C)CC3CC[NH+](C[C@@H](C)O)CC3)CCCC2)c1 ZINC000177445174 496063885 /nfs/dbraw/zinc/06/38/85/496063885.db2.gz VGYGBIHVFHWWBV-LJQANCHMSA-N 1 0 372.553 3.358 10 0 FGAERO CC(C)COC(=O)Nc1cccc(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000171891833 496078921 /nfs/dbraw/zinc/07/89/21/496078921.db2.gz DWFFQAIYYJGIMN-KRWDZBQOSA-N 1 0 360.458 3.203 10 0 FGAERO COC(=O)c1ccc(NC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)c(F)c1 ZINC000171894569 496080939 /nfs/dbraw/zinc/08/09/39/496080939.db2.gz LIDMHJDIQFWTTM-KRWDZBQOSA-N 1 0 359.401 3.037 10 0 FGAERO COc1ccc([C@@H](C)[NH2+][C@@H]2CCc3nc(C(C)C)nn3C2)cc1NC(C)=O ZINC000180646431 496083938 /nfs/dbraw/zinc/08/39/38/496083938.db2.gz VPMZKAIIVSRGQH-CZUORRHYSA-N 1 0 371.485 3.034 10 0 FGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1ccc(Br)cc1 ZINC000177495128 496085734 /nfs/dbraw/zinc/08/57/34/496085734.db2.gz LXACKYHAJVOXTM-HNNXBMFYSA-N 1 0 354.292 3.075 10 0 FGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cc(NC(=O)C2CC2)ccc1C ZINC000177526371 496098849 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CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nc(-c2ccc(C)c(OC)c2)no1 ZINC000180834850 496163847 /nfs/dbraw/zinc/16/38/47/496163847.db2.gz HULTXBFSLVYZIK-IAGOWNOFSA-N 1 0 356.470 3.112 10 0 FGAERO Fc1cc(CN2CCCN(c3cccnn3)CC2)ccc1Br ZINC000177708353 496167259 /nfs/dbraw/zinc/16/72/59/496167259.db2.gz IKDQLDZLLDYZCG-UHFFFAOYSA-N 1 0 365.250 3.091 10 0 FGAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000177710923 496168737 /nfs/dbraw/zinc/16/87/37/496168737.db2.gz VGGDHWREFGQLFF-CYBMUJFWSA-N 1 0 359.543 3.068 10 0 FGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H](C)Oc1ccc(CCC(C)=O)cc1 ZINC000174966384 496185457 /nfs/dbraw/zinc/18/54/57/496185457.db2.gz KWJCLYQCWJHEQG-MISYRCLQSA-N 1 0 372.509 3.061 10 0 FGAERO COc1ccc([C@@H](C)[NH2+]C[C@H]2CN(c3ccccc3)C(=O)O2)cc1OC ZINC000180890182 496188425 /nfs/dbraw/zinc/18/84/25/496188425.db2.gz DLIRQLGSIPQOII-PBHICJAKSA-N 1 0 356.422 3.380 10 0 FGAERO CC[C@H]1CN(Cc2coc(-c3c(F)cccc3F)n2)CC[N@@H+]1CCOC ZINC000152612266 496201718 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FGAERO C[C@@H]1CC[C@H](C)N(C(=O)NC[C@@H](c2cccs2)N2CCO[C@H](C)C2)C1 ZINC000175057992 496229795 /nfs/dbraw/zinc/22/97/95/496229795.db2.gz HHZXVLXOQZCFBQ-TWMKSMIVSA-N 1 0 365.543 3.340 10 0 FGAERO C[C@H]1CN([C@@H](CNC(=O)N2CCCCCC2)c2cccs2)CCO1 ZINC000175058726 496230907 /nfs/dbraw/zinc/23/09/07/496230907.db2.gz MUEKKXHTPDBEOX-HOTGVXAUSA-N 1 0 351.516 3.096 10 0 FGAERO C[N@H+](Cc1ncc(-c2cccc(F)c2)o1)[C@H]1CCCN(c2cccnn2)C1 ZINC000175186598 496283170 /nfs/dbraw/zinc/28/31/70/496283170.db2.gz WEDOYAFQMOXJOB-KRWDZBQOSA-N 1 0 367.428 3.372 10 0 FGAERO CCCCOc1ccccc1NC(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](CC)C1 ZINC000181179183 496300003 /nfs/dbraw/zinc/30/00/03/496300003.db2.gz NZTINLLNRUASJQ-SJORKVTESA-N 1 0 363.502 3.174 10 0 FGAERO COc1cc(NC(=O)N2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)ccc1F ZINC000187140494 496310400 /nfs/dbraw/zinc/31/04/00/496310400.db2.gz QEMUEUXFXNWKDL-MRXNPFEDSA-N 1 0 372.444 3.215 10 0 FGAERO CC(C)(C)OC(=O)c1ccc(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)cc1 ZINC000156704290 496314464 /nfs/dbraw/zinc/31/44/64/496314464.db2.gz XZHKCCVKCHALKX-KRWDZBQOSA-N 1 0 356.470 3.146 10 0 FGAERO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]C[C@@](C)(O)c2cccs2)C1 ZINC000153009542 496324344 /nfs/dbraw/zinc/32/43/44/496324344.db2.gz BSOFNELEQHGXEL-RDTXWAMCSA-N 1 0 354.516 3.192 10 0 FGAERO COC(=O)C[C@@H](NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccccc1 ZINC000178089726 496324666 /nfs/dbraw/zinc/32/46/66/496324666.db2.gz CPNRCDFEYWRICH-PKOBYXMFSA-N 1 0 358.482 3.062 10 0 FGAERO Cc1cccc(Oc2ccc(S(=O)(=O)N3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)cc2)c1 ZINC000184322173 496334590 /nfs/dbraw/zinc/33/45/90/496334590.db2.gz BXGIIXOXSHDJSO-BEVDRBHNSA-N 1 0 372.490 3.145 10 0 FGAERO CC[C@H]1CN(C(=O)Nc2cccnc2-c2ccccc2)CC[N@@H+]1C[C@@H](C)O ZINC000181283323 496339807 /nfs/dbraw/zinc/33/98/07/496339807.db2.gz HTIKMDFQVNBQJR-AEFFLSMTSA-N 1 0 368.481 3.058 10 0 FGAERO C[NH+](C)Cc1cccc(NC(=O)[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000175332207 496343298 /nfs/dbraw/zinc/34/32/98/496343298.db2.gz REUSFUVMNVCYDD-NVXWUHKLSA-N 1 0 361.486 3.380 10 0 FGAERO Cc1noc([C@@H](C)N2CC[NH+](CCCCCOc3ccccc3)CC2)n1 ZINC000187225390 496347221 /nfs/dbraw/zinc/34/72/21/496347221.db2.gz LNVZTHBWVYECHD-QGZVFWFLSA-N 1 0 358.486 3.306 10 0 FGAERO CC(C)c1nnc(CN2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)n1C ZINC000181307759 496347652 /nfs/dbraw/zinc/34/76/52/496347652.db2.gz TXRQVCSIVNGQCX-INIZCTEOSA-N 1 0 365.485 3.103 10 0 FGAERO Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178211857 496371279 /nfs/dbraw/zinc/37/12/79/496371279.db2.gz MGGAVHVOHXDQLK-PKOBYXMFSA-N 1 0 358.530 3.355 10 0 FGAERO Cc1nccn1C[C@H]1CCC[N@H+]1CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000178301841 496403730 /nfs/dbraw/zinc/40/37/30/496403730.db2.gz LZNNSHVMCGXZOV-CQSZACIVSA-N 1 0 366.918 3.029 10 0 FGAERO CCc1cccc(CC)c1NC(=O)C[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000178299490 496403797 /nfs/dbraw/zinc/40/37/97/496403797.db2.gz IXZDHHPKYQSSPL-IBGZPJMESA-N 1 0 354.498 3.419 10 0 FGAERO Cc1csc([C@H]2CCC[N@H+](CCC(=O)NC(=O)Nc3ccccc3)C2)n1 ZINC000157118525 496409077 /nfs/dbraw/zinc/40/90/77/496409077.db2.gz NQAJZMXWGXDZSH-HNNXBMFYSA-N 1 0 372.494 3.369 10 0 FGAERO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CCCc1nc(-c2ccccc2)no1 ZINC000172751308 496416107 /nfs/dbraw/zinc/41/61/07/496416107.db2.gz KFBZROIPQIAZMZ-BZSNNMDCSA-N 1 0 369.465 3.475 10 0 FGAERO Cc1nccn1C[C@H]1CCC[N@H+]1[C@@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000178334957 496417546 /nfs/dbraw/zinc/41/75/46/496417546.db2.gz IZZAQURTWHPSGE-KBXCAEBGSA-N 1 0 360.889 3.014 10 0 FGAERO C[NH+](C)CCCOC1CCN(C(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000175518667 496423976 /nfs/dbraw/zinc/42/39/76/496423976.db2.gz DKIIASAFKFLNKD-HXUWFJFHSA-N 1 0 359.514 3.206 10 0 FGAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ncc(-c2ccccc2)cn1 ZINC000184567768 496443688 /nfs/dbraw/zinc/44/36/88/496443688.db2.gz SGDCRCFYKFJKCC-LJQANCHMSA-N 1 0 367.497 3.063 10 0 FGAERO C[C@@H](COCc1ccccc1)NC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000172826380 496450016 /nfs/dbraw/zinc/45/00/16/496450016.db2.gz XVSYHDBZPSNHMF-KRWDZBQOSA-N 1 0 355.482 3.153 10 0 FGAERO Cn1ccnc1C[C@H]1CCCN(C(=O)N[C@H]2CCOC3(CCCCC3)C2)C1 ZINC000157395596 496468975 /nfs/dbraw/zinc/46/89/75/496468975.db2.gz USIQVETUCNJEHV-MSOLQXFVSA-N 1 0 374.529 3.266 10 0 FGAERO Cc1cc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)nc(-c2ccc(Cl)cc2)n1 ZINC000178538993 496492396 /nfs/dbraw/zinc/49/23/96/496492396.db2.gz JUXGOMGWHJDJHD-MRXNPFEDSA-N 1 0 356.857 3.026 10 0 FGAERO CCn1cnnc1C1CC[NH+](C[C@@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000178643838 496527521 /nfs/dbraw/zinc/52/75/21/496527521.db2.gz UJSVYMYIQMYUSN-MRXNPFEDSA-N 1 0 368.403 3.230 10 0 FGAERO C[C@H](C(=O)Nc1ccc(Br)c(C(F)(F)F)c1)C1C[NH2+]C1 ZINC000163952637 496572770 /nfs/dbraw/zinc/57/27/70/496572770.db2.gz XDJLHRPGCZXKSU-ZETCQYMHSA-N 1 0 351.166 3.262 10 0 FGAERO COC(=O)c1ccsc1N1CC[C@H]([NH2+][C@@H](C)c2cccs2)C1=O ZINC000173194098 496587929 /nfs/dbraw/zinc/58/79/29/496587929.db2.gz SBHPGNRZQZRBEX-JQWIXIFHSA-N 1 0 350.465 3.052 10 0 FGAERO CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(C)c(OCc3ccccn3)c(C)c2)C1 ZINC000153838263 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350.869 3.272 10 0 FGAERO Cc1nc(C[C@H]2CCC[N@H+](C[C@@H]3CC(c4ccc(Cl)cc4)=NO3)C2)no1 ZINC000091741533 494663149 /nfs/dbraw/zinc/66/31/49/494663149.db2.gz HVVOWIATIIBGHV-PBHICJAKSA-N 1 0 374.872 3.479 10 0 FGAERO Cc1cc(C(=O)CN2CCC[C@H](Cn3cncn3)C2)c(C)n1CCC(C)C ZINC000131595911 494670042 /nfs/dbraw/zinc/67/00/42/494670042.db2.gz AJNWBDLZLRVTDW-IBGZPJMESA-N 1 0 371.529 3.337 10 0 FGAERO C[NH+](C)[C@H]1CCN(C(=O)CCCSc2ccc(Br)cc2)C1 ZINC000108270488 494674376 /nfs/dbraw/zinc/67/43/76/494674376.db2.gz KBWUCZFPZCFQQA-AWEZNQCLSA-N 1 0 371.344 3.484 10 0 FGAERO CCc1ccc([C@@H](C)[NH2+]CC(=O)Nc2cccc(C(=O)N(C)C)c2)cc1 ZINC000126256589 494687977 /nfs/dbraw/zinc/68/79/77/494687977.db2.gz GPHWSBFFNHUKLG-OAHLLOKOSA-N 1 0 353.466 3.240 10 0 FGAERO Cn1c2ccc(C(F)(F)F)cc2nc1CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000121312351 494695016 /nfs/dbraw/zinc/69/50/16/494695016.db2.gz NCJFHXRFDARCDA-CQSZACIVSA-N 1 0 352.404 3.262 10 0 FGAERO Cc1nc(C[C@H]2CCC[N@H+](Cc3cnn(-c4ccc(F)cc4)c3)C2)no1 ZINC000092814336 494761799 /nfs/dbraw/zinc/76/17/99/494761799.db2.gz CZRGPPUBYMCQPM-OAHLLOKOSA-N 1 0 355.417 3.158 10 0 FGAERO Cc1nc(C[C@@H]2CCC[N@H+](Cc3c[nH]nc3-c3ccccc3F)C2)no1 ZINC000092814017 494762142 /nfs/dbraw/zinc/76/21/42/494762142.db2.gz BEZNQYUEIKGRFH-AWEZNQCLSA-N 1 0 355.417 3.362 10 0 FGAERO CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H](c2cnn(C)c2)C1)c1ccccc1 ZINC000116414690 494779399 /nfs/dbraw/zinc/77/93/99/494779399.db2.gz XLFVZDYSLHPPMN-UYAOXDASSA-N 1 0 369.513 3.002 10 0 FGAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2cc(F)c(Br)cc2F)C1 ZINC000121507607 494785367 /nfs/dbraw/zinc/78/53/67/494785367.db2.gz SAEWTRAKQFKDGB-VIFPVBQESA-N 1 0 362.218 3.333 10 0 FGAERO CNC(=O)[C@H]1CCC[N@@H+]1Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000092097707 494787291 /nfs/dbraw/zinc/78/72/91/494787291.db2.gz RSNRTBXYHSMMTP-OAQYLSRUSA-N 1 0 374.488 3.309 10 0 FGAERO OCC[NH+](CCO)CC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000026013173 494795120 /nfs/dbraw/zinc/79/51/20/494795120.db2.gz MZPNJYXTDVQJDZ-UHFFFAOYSA-N 1 0 354.277 3.412 10 0 FGAERO 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CCc1nccn1[C@H]1CCC[N@H+](C[C@H](O)COc2cc(C)ccc2C)C1 ZINC000106212023 495432436 /nfs/dbraw/zinc/43/24/36/495432436.db2.gz AAGCQZHXARJGAF-OALUTQOASA-N 1 0 357.498 3.139 10 0 FGAERO CCOCC[N@@H+]1CCN(Cc2csc([C@@H](C)OCC)n2)C[C@@H]1CC ZINC000120709137 495440316 /nfs/dbraw/zinc/44/03/16/495440316.db2.gz AROVCSZHKPAQJY-WBVHZDCISA-N 1 0 355.548 3.173 10 0 FGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(N2CCCC2=O)ccc1Cl ZINC000120772829 495454388 /nfs/dbraw/zinc/45/43/88/495454388.db2.gz XRNUFGGVKBPBPK-OAHLLOKOSA-N 1 0 363.889 3.023 10 0 FGAERO Cc1cccc(NC2CC[NH+](C[C@H](O)COCc3ccccc3)CC2)c1 ZINC000125676423 495481026 /nfs/dbraw/zinc/48/10/26/495481026.db2.gz XXAFZVRGVDAWRX-QFIPXVFZSA-N 1 0 354.494 3.449 10 0 FGAERO CC[C@H](C)NC(=O)c1ccc(NC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1 ZINC000121023803 495506171 /nfs/dbraw/zinc/50/61/71/495506171.db2.gz MLQCKEHKJWFCQE-RLFYNMQTSA-N 1 0 360.502 3.065 10 0 FGAERO CCCOCc1ccccc1CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106908266 495509978 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/nfs/dbraw/zinc/41/53/01/574415301.db2.gz GSQUXSFTXJRLQJ-LDVJMBRRSA-N 1 0 360.505 3.061 10 0 endogenous,in-man FGAERO O=S(=O)(/C=C/c1ccccc1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000030008141 695718694 /nfs/dbraw/zinc/71/86/94/695718694.db2.gz BHZAWYYFBXQZJN-YFIXDKARSA-N 1 0 356.491 3.414 10 0 FGAERO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N[C@H](C)c2cccs2)c1 ZINC000048881820 695890439 /nfs/dbraw/zinc/89/04/39/695890439.db2.gz QXXDCDRTNPTSEC-CQSZACIVSA-N 1 0 359.495 3.406 10 0 FGAERO C[C@H](CN1CCCCC1)[NH2+][C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000105784199 700504901 /nfs/dbraw/zinc/50/49/01/700504901.db2.gz LOMUGLKTTTZSRJ-KZNAEPCWSA-N 1 0 353.551 3.486 10 0 FGAERO C[C@H](NC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1)c1ccc(Br)cc1 ZINC000111246035 700547420 /nfs/dbraw/zinc/54/74/20/700547420.db2.gz NMKCPXHSBDVKPY-TVQRCGJNSA-N 1 0 365.193 3.168 10 0 FGAERO CC[C@H]1CN(Cn2c3ccccc3n(CC)c2=S)CC[N@@H+]1CCOC ZINC000117325369 700602345 /nfs/dbraw/zinc/60/23/45/700602345.db2.gz ZOFXFAWARQNNJO-INIZCTEOSA-N 1 0 362.543 3.192 10 0 FGAERO OC[C@@H]1CCCC[C@H]1[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000130309699 700799388 /nfs/dbraw/zinc/79/93/88/700799388.db2.gz UYXDLLMDGCMDCJ-MEDUHNTESA-N 1 0 355.269 3.215 10 0 FGAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000158065053 705171243 /nfs/dbraw/zinc/17/12/43/705171243.db2.gz YZPWJGLWYAPNKN-QMTHXVAHSA-N 1 0 353.253 3.036 10 0 FGAERO O[C@@]12CCCC[C@@H]1CN(Cn1ncc3c1cccc3Br)CC2 ZINC000164929397 705334412 /nfs/dbraw/zinc/33/44/12/705334412.db2.gz KRLSNHWZVVWDIR-CXAGYDPISA-N 1 0 364.287 3.383 10 0 FGAERO O[C@]12CCCC[C@@H]1CN(Cn1ncc3c1cccc3Br)CC2 ZINC000164929525 705334697 /nfs/dbraw/zinc/33/46/97/705334697.db2.gz KRLSNHWZVVWDIR-DYVFJYSZSA-N 1 0 364.287 3.383 10 0 FGAERO C[C@@H]([NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000181525927 705798202 /nfs/dbraw/zinc/79/82/02/705798202.db2.gz AXSVUVAXZCAAPX-VXGBXAGGSA-N 1 0 365.326 3.316 10 0 FGAERO CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(Cl)s2)C1 ZINC000182995159 705872811 /nfs/dbraw/zinc/87/28/11/705872811.db2.gz SZDXSPSLKNLPGQ-RWMBFGLXSA-N 1 0 372.918 3.242 10 0 FGAERO C[C@H]([NH2+][C@@H](CO)c1ccccc1)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000183641818 705894961 /nfs/dbraw/zinc/89/49/61/705894961.db2.gz MYMDDTGDVVGFCS-UGSOOPFHSA-N 1 0 364.848 3.149 10 0 FGAERO O[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000183810636 705904184 /nfs/dbraw/zinc/90/41/84/705904184.db2.gz SLUSIWZFOPPEDA-BDJLRTHQSA-N 1 0 355.269 3.215 10 0 FGAERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)C3(c4ccc(Br)cc4)CCC3)C[C@@H]12 ZINC000184965845 712680133 /nfs/dbraw/zinc/68/01/33/712680133.db2.gz KTWAMZNRAGHARK-APHBMKBZSA-N 1 0 363.299 3.067 10 0 FGAERO O[C@H](C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)c1ccc(F)c(Br)c1 ZINC000187181936 712735261 /nfs/dbraw/zinc/73/52/61/712735261.db2.gz XMSPGGSHTHVAGR-KBRIMQKVSA-N 1 0 372.278 3.249 10 0 FGAERO CC[C@@H]([NH2+]CCc1ccnn1C)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000188709921 712775569 /nfs/dbraw/zinc/77/55/69/712775569.db2.gz AYUXHDOPYQLXQC-SJORKVTESA-N 1 0 350.507 3.120 10 0 FGAERO Cc1nc(COc2ccc(F)cc2)sc1C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000193479485 712892864 /nfs/dbraw/zinc/89/28/64/712892864.db2.gz YKVDJLMTTJCTLB-ABAIWWIYSA-N 1 0 363.458 3.040 10 0 FGAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2sc(Cc3ccc(F)cc3)nc2C)C1 ZINC000194657973 713529947 /nfs/dbraw/zinc/52/99/47/713529947.db2.gz YZYKFCJTPBUZSP-MRXNPFEDSA-N 1 0 361.486 3.396 10 0 FGAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)Cc1csc(-c2ccc(Cl)s2)n1 ZINC000237823866 713597365 /nfs/dbraw/zinc/59/73/65/713597365.db2.gz YWIZEMFPKUZXOO-MWLCHTKSSA-N 1 0 355.916 3.311 10 0 FGAERO Cc1c2cc(Br)ccc2oc1C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000237834254 713597390 /nfs/dbraw/zinc/59/73/90/713597390.db2.gz OBRXELXVQUXGBT-GXFFZTMASA-N 1 0 351.244 3.361 10 0 FGAERO CN1C(=O)C[C@H]([NH2+]C[C@@](C)(O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000245511870 713606304 /nfs/dbraw/zinc/60/63/04/713606304.db2.gz ZJIPPGNRQIOSML-YSIASYRMSA-N 1 0 358.869 3.109 10 0 FGAERO COc1ccc2nc(Cl)c(C(=O)N[C@@H]3C[N@@H+](C(C)C)C[C@H]3C)cc2c1 ZINC000245879747 713613189 /nfs/dbraw/zinc/61/31/89/713613189.db2.gz NKJBMGSMRPFXHC-SJKOYZFVSA-N 1 0 361.873 3.355 10 0 FGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCSc1nc2ccccc2s1 ZINC000247487754 713641342 /nfs/dbraw/zinc/64/13/42/713641342.db2.gz TYNFQUMHBKIJDI-KGLIPLIRSA-N 1 0 361.536 3.474 10 0 FGAERO O[C@H](COc1ccccc1C(F)(F)F)C[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000248373436 713647917 /nfs/dbraw/zinc/64/79/17/713647917.db2.gz IYSHPJYILUJPNS-LXZKKBNFSA-N 1 0 359.388 3.089 10 0 FGAERO C[C@@](O)(C[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1)c1ccccc1 ZINC000248435479 713650086 /nfs/dbraw/zinc/65/00/86/713650086.db2.gz ROVVUGLNROXWQF-NVXWUHKLSA-N 1 0 353.388 3.447 10 0 FGAERO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](C[C@@H](O)C3CCCCC3)C[C@@H]12 ZINC000249158078 713664644 /nfs/dbraw/zinc/66/46/44/713664644.db2.gz ZHKLLIQNABJNPP-BRSBDYLESA-N 1 0 352.519 3.163 10 0 FGAERO CCN(CC)C(=O)C[C@H](C)[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)[C@H]1C ZINC000250137004 713670500 /nfs/dbraw/zinc/67/05/00/713670500.db2.gz YFVCXZHSFHZUOI-JYJNAYRXSA-N 1 0 355.523 3.011 10 0 FGAERO CCOc1ccc(Br)cc1CN(C(=O)C[C@@H](C)[NH3+])C1CC1 ZINC000261697529 713712722 /nfs/dbraw/zinc/71/27/22/713712722.db2.gz CLCZSGJWPXLJIS-LLVKDONJSA-N 1 0 355.276 3.076 10 0 FGAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)Nc1ccc(-n2nccc2C(F)(F)F)cc1 ZINC000261793430 713714252 /nfs/dbraw/zinc/71/42/52/713714252.db2.gz QJZRORZZSBEHIH-BXUZGUMPSA-N 1 0 352.360 3.205 10 0 FGAERO CCC(CC)(C[NH3+])C(=O)N[C@H]1CCOc2ccc(Br)cc21 ZINC000262085679 713718334 /nfs/dbraw/zinc/71/83/34/713718334.db2.gz YAYSUZBLQXHVIQ-ZDUSSCGKSA-N 1 0 355.276 3.154 10 0 FGAERO CCC(CC)(C[NH3+])C(=O)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000262085678 713718473 /nfs/dbraw/zinc/71/84/73/713718473.db2.gz YAYSUZBLQXHVIQ-CYBMUJFWSA-N 1 0 355.276 3.154 10 0 FGAERO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1 ZINC000310687268 713800362 /nfs/dbraw/zinc/80/03/62/713800362.db2.gz MQLKHPRFSUBLKK-XUXIUFHCSA-N 1 0 366.424 3.379 10 0 FGAERO C[N@@H+]1CC[C@H]2CN(C(=O)c3cc(Cl)ccc3Br)C[C@@H]2C1 ZINC000312482032 713802573 /nfs/dbraw/zinc/80/25/73/713802573.db2.gz IOTSQHAUXNOCJY-QWRGUYRKSA-N 1 0 357.679 3.126 10 0 FGAERO CC(C)(C)OC(=O)N1C[C@@H](C[NH2+]Cc2csc3ccccc23)[C@H](O)C1 ZINC000702768119 722410900 /nfs/dbraw/zinc/41/09/00/722410900.db2.gz RJEZWRHSRVFDFC-CZUORRHYSA-N 1 0 362.495 3.219 10 0 FGAERO CC[C@H]([NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)c1ccccc1F ZINC000702851552 722411009 /nfs/dbraw/zinc/41/10/09/722411009.db2.gz NRQMKUMRGCPGIB-COXVUDFISA-N 1 0 352.450 3.094 10 0 FGAERO CCn1nc(C)c([C@@H](C)[NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)c1C ZINC000715138066 722415771 /nfs/dbraw/zinc/41/57/71/722415771.db2.gz UBPFQMVBTCEWOK-WQVCFCJDSA-N 1 0 350.507 3.474 10 0 FGAERO COc1ccccc1/C=C/C[NH2+][C@@H]1CC[C@H](C(F)(F)F)N(C(C)=O)C1 ZINC000886036517 739211066 /nfs/dbraw/zinc/21/10/66/739211066.db2.gz JFERXBIPEMVJPW-NDOICKTLSA-N 1 0 356.388 3.240 10 0 FGAERO COc1cccc([C@@H](C[NH3+])Oc2ccc(I)cc2)c1 ZINC000043030865 209273768 /nfs/dbraw/zinc/27/37/68/209273768.db2.gz PAECFAFMASGCTN-OAHLLOKOSA-N 1 0 369.202 3.379 10 0 FGAERO CCOC(=O)c1cccc(NC(=O)N2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000006877277 207173733 /nfs/dbraw/zinc/17/37/33/207173733.db2.gz KSMXAHGECPXCFM-UHFFFAOYSA-N 1 0 359.470 3.203 10 0 FGAERO COc1ccc([C@H]([NH3+])c2ccc(I)cc2)cc1F ZINC000035424504 208124793 /nfs/dbraw/zinc/12/47/93/208124793.db2.gz JOHIWPVMBNUSRZ-CQSZACIVSA-N 1 0 357.166 3.487 10 0 FGAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1nn(-c2ccc(C)cc2)c2c1CCC2 ZINC000041925870 208289355 /nfs/dbraw/zinc/28/93/55/208289355.db2.gz YJONNADVLUECIG-INIZCTEOSA-N 1 0 354.498 3.130 10 0 FGAERO Cc1c([C@H](C)[NH3+])nnn1-c1cc(Br)ccc1Br ZINC000042582210 208293872 /nfs/dbraw/zinc/29/38/72/208293872.db2.gz AGNVWDLXBUBREZ-LURJTMIESA-N 1 0 360.053 3.120 10 0 FGAERO C[C@@H](Cc1ccccc1F)C(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190580734 257369272 /nfs/dbraw/zinc/36/92/72/257369272.db2.gz IJWYYLDTGNHTNB-HKUYNNGSSA-N 1 0 369.484 3.380 10 0 FGAERO Clc1ccccc1-c1nnc(NC[C@@H]2CN(C3CC3)CCO2)s1 ZINC000302078536 257383581 /nfs/dbraw/zinc/38/35/81/257383581.db2.gz BAAVFQNXURBHJC-GFCCVEGCSA-N 1 0 350.875 3.134 10 0 FGAERO C[NH+]1CCC(N(Cc2ccco2)S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000029455362 257336610 /nfs/dbraw/zinc/33/66/10/257336610.db2.gz HFTZORPWFHBKCK-RVDMUPIBSA-N 1 0 360.479 3.177 10 0 FGAERO CC(C)(C)OC(=O)N1CC[NH2+]C[C@@H]1Cc1ccc(Br)cc1 ZINC000095752426 209085417 /nfs/dbraw/zinc/08/54/17/209085417.db2.gz QTCRBZYGMZZNAA-AWEZNQCLSA-N 1 0 355.276 3.201 10 0 FGAERO C[C@@](O)(C[NH+]1CCC(C(=O)NCCc2cccs2)CC1)c1ccccc1 ZINC000075827918 493781658 /nfs/dbraw/zinc/78/16/58/493781658.db2.gz XHLFPFLABXIDFW-OAQYLSRUSA-N 1 0 372.534 3.027 10 0 FGAERO CC(=O)Nc1cccc([C@@H](C)NC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)c1 ZINC000048217209 493804673 /nfs/dbraw/zinc/80/46/73/493804673.db2.gz GRCQWVVUAQEVSJ-QRWLVFNGSA-N 1 0 368.481 3.308 10 0 FGAERO COc1ccccc1C[C@H]1CCC[N@@H+]1C[C@H](O)COCc1ccccc1 ZINC000058525632 493863232 /nfs/dbraw/zinc/86/32/32/493863232.db2.gz FATPAQAOWBGOFM-RTWAWAEBSA-N 1 0 355.478 3.280 10 0 FGAERO C[C@@H](c1ccco1)[N@H+](C)C[C@H](O)COc1cccc(Br)c1 ZINC000069065153 493915159 /nfs/dbraw/zinc/91/51/59/493915159.db2.gz OPGRCRPNQIMKAE-JSGCOSHPSA-N 1 0 354.244 3.475 10 0 FGAERO CC[NH+](CC)CCOc1ccc(NC(=O)N[C@H]2CCCC[C@@H]2CO)cc1 ZINC000081628401 493932637 /nfs/dbraw/zinc/93/26/37/493932637.db2.gz VAVCXKJVRLFUHT-APWZRJJASA-N 1 0 363.502 3.080 10 0 FGAERO CC(C)c1ccc([C@H]2C[C@@H]2C(=O)NCC2CC[NH+](CCN(C)C)CC2)cc1 ZINC000077001068 494007413 /nfs/dbraw/zinc/00/74/13/494007413.db2.gz HIZIYVMFZJGNEF-YADHBBJMSA-N 1 0 371.569 3.303 10 0 FGAERO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CCc1nc(-c2ccccc2)no1 ZINC000077264829 494044243 /nfs/dbraw/zinc/04/42/43/494044243.db2.gz PXZJRWLTMBNKNR-IKGGRYGDSA-N 1 0 355.438 3.085 10 0 FGAERO C[C@@H](CNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)OCCO2)c1ccccc1 ZINC000070787025 494056235 /nfs/dbraw/zinc/05/62/35/494056235.db2.gz FYMMKOPNLICGSN-ULQDDVLXSA-N 1 0 368.477 3.417 10 0 FGAERO COC(=O)c1ccc(C)c(NC(=O)C[NH2+][C@@H](C)c2ccc(F)c(F)c2)c1 ZINC000008247195 494078410 /nfs/dbraw/zinc/07/84/10/494078410.db2.gz AHMCHURAVDCPDR-LBPRGKRZSA-N 1 0 362.376 3.349 10 0 FGAERO C[C@@H](NC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)[C@H]1CCCO1 ZINC000064237862 494108350 /nfs/dbraw/zinc/10/83/50/494108350.db2.gz HDVSNYXJDJZCQO-YLJYHZDGSA-N 1 0 359.514 3.429 10 0 FGAERO C[C@@H](NC(=O)N1CC[NH+](CC2CCOCC2)CC1)c1ccc(Cl)s1 ZINC000077554151 494114035 /nfs/dbraw/zinc/11/40/35/494114035.db2.gz YBPWKUSNLOZNLS-CYBMUJFWSA-N 1 0 371.934 3.216 10 0 FGAERO [NH3+]CCc1nc2ccccc2c(N(Cc2ccco2)Cc2ccccn2)n1 ZINC000065398383 494193241 /nfs/dbraw/zinc/19/32/41/494193241.db2.gz ZDXZFWMOKPXJPN-UHFFFAOYSA-N 1 0 359.433 3.326 10 0 FGAERO CCOC(=O)N(C)c1ccc(NC(=O)NC[C@H](C)[NH+](CC)CC)cc1 ZINC000054528196 494243098 /nfs/dbraw/zinc/24/30/98/494243098.db2.gz XZBGSZGXYSWYIJ-AWEZNQCLSA-N 1 0 350.463 3.131 10 0 FGAERO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000066410575 494329323 /nfs/dbraw/zinc/32/93/23/494329323.db2.gz WRNCUYBIAMBJIN-IHPCNDPISA-N 1 0 370.493 3.229 10 0 FGAERO O=C(c1cn([C@@H]2CCC[N@H+](CC3CCCCC3)C2)nn1)N1CCCCC1 ZINC000014980875 494332325 /nfs/dbraw/zinc/33/23/25/494332325.db2.gz SJJZKENHFDXRJT-GOSISDBHSA-N 1 0 359.518 3.121 10 0 FGAERO COC(=O)C1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(C(C)C)cc2)CC1 ZINC000073619572 494401199 /nfs/dbraw/zinc/40/11/99/494401199.db2.gz NURSPSHBLDWWQM-JKSUJKDBSA-N 1 0 360.498 3.261 10 0 FGAERO C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000073665300 494410070 /nfs/dbraw/zinc/41/00/70/494410070.db2.gz CHPIJRLSVSJUBU-IAGOWNOFSA-N 1 0 355.486 3.107 10 0 FGAERO COc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N(C)Cc2ccccc2)cc1OC ZINC000079306734 494434312 /nfs/dbraw/zinc/43/43/12/494434312.db2.gz ZEPDUJPMFNLERP-HOTGVXAUSA-N 1 0 356.466 3.402 10 0 FGAERO NC(=O)c1ccc([C@H]2CCC[N@@H+]2Cc2ccc(-n3cccn3)cc2)s1 ZINC000019148299 494437011 /nfs/dbraw/zinc/43/70/11/494437011.db2.gz PVPKTGTTWLKGQT-MRXNPFEDSA-N 1 0 352.463 3.370 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OKPBTUQDGYIJNW-UWJYYQICSA-N 1 0 372.557 3.292 10 0 FGAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000156852222 496347378 /nfs/dbraw/zinc/34/73/78/496347378.db2.gz CPYBMDQCBWIKJL-GOSISDBHSA-N 1 0 358.486 3.277 10 0 FGAERO Cc1csc([C@H]2CCCN(Cc3nnnn3-c3c(C)cccc3C)C2)n1 ZINC000156984665 496378330 /nfs/dbraw/zinc/37/83/30/496378330.db2.gz QMBOOLYADWIRPB-INIZCTEOSA-N 1 0 368.510 3.424 10 0 FGAERO Cc1nccn1C[C@@H]1CCC[N@H+]1C[C@H](O)COc1ccccc1C(C)C ZINC000178285871 496399070 /nfs/dbraw/zinc/39/90/70/496399070.db2.gz UKWVPYQABKKTKL-OALUTQOASA-N 1 0 357.498 3.219 10 0 FGAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1nc(COc2cc(C)cc(C)c2)no1 ZINC000157134264 496413298 /nfs/dbraw/zinc/41/32/98/496413298.db2.gz WCODHPFIVMRECY-KRWDZBQOSA-N 1 0 358.486 3.182 10 0 FGAERO CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000178329736 496414633 /nfs/dbraw/zinc/41/46/33/496414633.db2.gz COGFOKQHWVZJKM-DGCLKSJQSA-N 1 0 372.296 3.298 10 0 FGAERO 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359.322 3.422 10 0 FGAERO C[C@H](NC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1)c1ccc(Cl)s1 ZINC000185144694 496679744 /nfs/dbraw/zinc/67/97/44/496679744.db2.gz VVHGSXARPWPHIQ-ZDUSSCGKSA-N 1 0 372.966 3.178 10 0 FGAERO CC[NH+](CC)CCSCC(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000173430856 496690088 /nfs/dbraw/zinc/69/00/88/496690088.db2.gz RKAINFDMNPYMMO-INIZCTEOSA-N 1 0 360.527 3.125 10 0 FGAERO CSc1ccc(NC(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1Cl ZINC000176121652 496692082 /nfs/dbraw/zinc/69/20/82/496692082.db2.gz GIGIEXOFNXISPL-CYBMUJFWSA-N 1 0 357.907 3.030 10 0 FGAERO C[C@@H]1CC[C@@H](NC(=O)N2CC[NH+](CC3CCOCC3)CC2)c2ccccc21 ZINC000179191886 496706217 /nfs/dbraw/zinc/70/62/17/496706217.db2.gz KCGGZKZDLQQIJC-DYESRHJHSA-N 1 0 371.525 3.379 10 0 FGAERO COc1ccc(C[N@@H+]2CCCN(Cc3noc(C)n3)CC2)c2ccccc12 ZINC000179211948 496713167 /nfs/dbraw/zinc/71/31/67/496713167.db2.gz PLVMWNUECSSZTM-UHFFFAOYSA-N 1 0 366.465 3.248 10 0 FGAERO CCC[C@H](C(=O)Nc1cc(OC)c(Br)c(OC)c1)[NH+](C)C ZINC000182276325 496725228 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C[NH+](C)[C@@H]1CCN(Cn2cc(Br)c(-c3ccc(F)cc3)n2)C1 ZINC000170903056 705365754 /nfs/dbraw/zinc/36/57/54/705365754.db2.gz FHUCFJCHYHJBQH-CQSZACIVSA-N 1 0 367.266 3.045 10 0 FGAERO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000175865829 705562152 /nfs/dbraw/zinc/56/21/52/705562152.db2.gz WFGNFVXZDVHEIJ-ZVUFPHILSA-N 1 0 372.575 3.303 10 0 FGAERO C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc(SC(C)(C)C)cc2)C[C@H]1C ZINC000177545305 705627898 /nfs/dbraw/zinc/62/78/98/705627898.db2.gz SPPXVFROZWLWAZ-HUUCEWRRSA-N 1 0 365.543 3.496 10 0 FGAERO NC(=O)C[C@@H]([NH2+]C[C@H]1CC(c2ccc(Cl)cc2)=NO1)C1CCCCC1 ZINC000182081642 705824882 /nfs/dbraw/zinc/82/48/82/705824882.db2.gz CGAYYFBMSDNZSS-IAGOWNOFSA-N 1 0 363.889 3.247 10 0 FGAERO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+][C@H]1C[C@@H]1C ZINC000182276945 705833219 /nfs/dbraw/zinc/83/32/19/705833219.db2.gz IFGMXGHDHLFNKU-FZMZJTMJSA-N 1 0 356.260 3.197 10 0 FGAERO Cc1ccc([C@H](NC(=O)C[NH2+][C@@H](C)[C@@H]2CCCO2)c2cccs2)cc1 ZINC000183120274 705877736 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/nfs/dbraw/zinc/80/23/05/713802305.db2.gz GXHJBNQHQJZUOD-RDDDGLTNSA-N 1 0 351.166 3.030 10 0 FGAERO FC(F)(F)[C@@H]1C[NH2+]C[C@H]1c1nc(-c2cc(Br)cs2)no1 ZINC000650225329 718644724 /nfs/dbraw/zinc/64/47/24/718644724.db2.gz KDEUKQSNKHHDEX-RNFRBKRXSA-N 1 0 368.178 3.426 10 0 FGAERO Cc1ccc(C[N@H+](C[C@@H](O)COCc2ccco2)C[C@@H]2CCCO2)cc1 ZINC000105750094 209267902 /nfs/dbraw/zinc/26/79/02/209267902.db2.gz MLBBQOLBAIZAII-UXHICEINSA-N 1 0 359.466 3.147 10 0 FGAERO CC(C)C[NH+]1CCN(C(=O)N[C@H](C)c2ccccc2Br)CC1 ZINC000097394963 209180622 /nfs/dbraw/zinc/18/06/22/209180622.db2.gz AVUKOHDXMLFZIT-CQSZACIVSA-N 1 0 368.319 3.493 10 0 FGAERO COc1cccc([C@@H](C[NH3+])Oc2cccc(I)c2)c1 ZINC000043030899 209273750 /nfs/dbraw/zinc/27/37/50/209273750.db2.gz QXNLDDRVFCWRLJ-OAHLLOKOSA-N 1 0 369.202 3.379 10 0 FGAERO Cn1cccc1C[N@@H+](Cc1ccccc1)C[C@@H](O)COCc1ccco1 ZINC000004882155 207058438 /nfs/dbraw/zinc/05/84/38/207058438.db2.gz GMJVSFLWMNWRRN-HXUWFJFHSA-N 1 0 354.450 3.198 10 0 FGAERO Cc1oc(-c2cc(F)cc(F)c2)nc1C[N@@H+](C[C@H]1CCC(=O)N1)C(C)C ZINC000011843970 207325910 /nfs/dbraw/zinc/32/59/10/207325910.db2.gz LDVSMGGMYQMXDK-MRXNPFEDSA-N 1 0 363.408 3.417 10 0 FGAERO O=C1N(Cc2ccc(F)cc2)CCC[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC000012306041 207357660 /nfs/dbraw/zinc/35/76/60/207357660.db2.gz XIAWANNSXASRHC-OAQYLSRUSA-N 1 0 353.441 3.235 10 0 FGAERO COC(=O)c1ccccc1NC(=S)N1CCN(C)C[C@@H]1c1ccccc1 ZINC000073642919 208187754 /nfs/dbraw/zinc/18/77/54/208187754.db2.gz ZKHJIAGWPOWGRQ-GOSISDBHSA-N 1 0 369.490 3.159 10 0 FGAERO [NH3+][C@H]1CCN(c2cc(-c3cccnc3)nc(-c3ccc(Cl)cc3)n2)C1 ZINC000073684142 208190884 /nfs/dbraw/zinc/19/08/84/208190884.db2.gz KWRSPPGIYGQOMH-INIZCTEOSA-N 1 0 351.841 3.396 10 0 FGAERO Nc1c(Nc2cc[nH+]cc2)ncnc1Nc1ccc(Br)cn1 ZINC000040687586 208263471 /nfs/dbraw/zinc/26/34/71/208263471.db2.gz STYZDWUREWXGCP-UHFFFAOYSA-N 1 0 358.203 3.099 10 0 FGAERO CC(C)(C)OC(=O)N1CC[C@@H](C[NH2+]Cc2cnc(Cl)nc2Cl)C1 ZINC000095083962 209019956 /nfs/dbraw/zinc/01/99/56/209019956.db2.gz NOBATTHQTZQJKV-JTQLQIEISA-N 1 0 361.273 3.130 10 0 FGAERO CCCOc1cccc(C(=O)Nc2cc(N)ccc2N2CC[NH+](C)CC2)c1 ZINC000226259839 132374805 /nfs/dbraw/zinc/37/48/05/132374805.db2.gz KNRHKDKHYZUGPX-UHFFFAOYSA-N 1 0 368.481 3.062 10 0 FGAERO O=C(CC[NH+]1CCN(c2ccc(F)cc2)CC1)Nc1ccc(F)cc1F ZINC000028647070 132378031 /nfs/dbraw/zinc/37/80/31/132378031.db2.gz BGTUOERCMAISNE-UHFFFAOYSA-N 1 0 363.383 3.255 10 0 FGAERO C[C@H]([NH2+][C@@H](C)c1ccc2ccccc2c1)C(=O)NC(=O)NCC(F)(F)F ZINC000028352494 493786756 /nfs/dbraw/zinc/78/67/56/493786756.db2.gz CVQYAJVJGPJBHR-RYUDHWBXSA-N 1 0 367.371 3.267 10 0 FGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N[C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000068717524 493862683 /nfs/dbraw/zinc/86/26/83/493862683.db2.gz DWUQPTCAMAXHBN-WMZOPIPTSA-N 1 0 374.529 3.150 10 0 FGAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCCCc1cn(-c2ccccc2)nc1C ZINC000049132644 493862793 /nfs/dbraw/zinc/86/27/93/493862793.db2.gz PWEKJUMDYXXYIX-KRWDZBQOSA-N 1 0 371.529 3.143 10 0 FGAERO CC[NH+](CC)[C@H]1CCN(C(=O)N[C@H](C)c2cccc(-n3ccnc3)c2)C1 ZINC000076471218 493899543 /nfs/dbraw/zinc/89/95/43/493899543.db2.gz KJVHUSCXFULXKY-APWZRJJASA-N 1 0 355.486 3.059 10 0 FGAERO CC[NH+]1CCN(CCCNC(=O)[C@H]2C[C@H]2c2ccc(C(C)C)cc2)CC1 ZINC000076958330 493997288 /nfs/dbraw/zinc/99/72/88/493997288.db2.gz AIOAVGKHAGHVPW-SFTDATJTSA-N 1 0 357.542 3.057 10 0 FGAERO CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)cc1 ZINC000077000334 494007506 /nfs/dbraw/zinc/00/75/06/494007506.db2.gz GZOAMSQCEOOIEK-FKBYEOEOSA-N 1 0 371.569 3.302 10 0 FGAERO C[NH+](C)C[C@@H](NC(=O)CCc1nnc(-c2ccccc2)o1)c1ccccc1 ZINC000052556397 494039586 /nfs/dbraw/zinc/03/95/86/494039586.db2.gz RMUYMUYMSQQADY-GOSISDBHSA-N 1 0 364.449 3.088 10 0 FGAERO CC[N@@H+]1CCC[C@@H](NC(=O)N(C)Cc2ccccc2Br)C1 ZINC000052593357 494044899 /nfs/dbraw/zinc/04/48/99/494044899.db2.gz RWIFXICUSUPQQN-CQSZACIVSA-N 1 0 354.292 3.075 10 0 FGAERO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)COc2cccc(Br)c2)o1 ZINC000038097815 494111908 /nfs/dbraw/zinc/11/19/08/494111908.db2.gz HJRUPKKCWKTHPA-TZMCWYRMSA-N 1 0 354.244 3.441 10 0 FGAERO CC(C)CCNC(=O)c1cccc(N2CC[NH2+][C@@H](c3ccccc3)C2)n1 ZINC000065256212 494183759 /nfs/dbraw/zinc/18/37/59/494183759.db2.gz MPVOKMRDKJBDGN-LJQANCHMSA-N 1 0 352.482 3.008 10 0 FGAERO CCOc1ccc2nc(N3CCC([NH2+]C4CCOCC4)CC3)nc(C)c2c1 ZINC000012150276 494209219 /nfs/dbraw/zinc/20/92/19/494209219.db2.gz OAYHZMYVHVOMDJ-UHFFFAOYSA-N 1 0 370.497 3.074 10 0 FGAERO CC(C)(C)[NH2+][C@H](CO)COc1ccc(NC(=O)NC2CCCCC2)cc1 ZINC000065739530 494232156 /nfs/dbraw/zinc/23/21/56/494232156.db2.gz FNQWDIBHAKDJNO-QGZVFWFLSA-N 1 0 363.502 3.269 10 0 in-vitro FGAERO CCc1ccc(Cl)c(CC)c1NC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000043388592 494292727 /nfs/dbraw/zinc/29/27/27/494292727.db2.gz SGMYRWQNLLFIIR-HNNXBMFYSA-N 1 0 367.921 3.433 10 0 FGAERO Cc1ccc(CC(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)cc1O ZINC000089438298 494305948 /nfs/dbraw/zinc/30/59/48/494305948.db2.gz SFSASEWSPODCFO-FQEVSTJZSA-N 1 0 352.478 3.414 10 0 FGAERO Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCCN(c3cccnn3)C2)c1C ZINC000089732487 494350448 /nfs/dbraw/zinc/35/04/48/494350448.db2.gz NMPQDPZLKAUMHK-FUHWJXTLSA-N 1 0 367.497 3.069 10 0 FGAERO COc1ccc(CNC(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc1OC(F)F ZINC000079211145 494418983 /nfs/dbraw/zinc/41/89/83/494418983.db2.gz VAMLGCKSHILLRL-AWEZNQCLSA-N 1 0 373.444 3.072 10 0 FGAERO COc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NCCc2ccc(F)cc2)cc1OC ZINC000079306676 494434374 /nfs/dbraw/zinc/43/43/74/494434374.db2.gz WQFPSSVTHFMUMI-CABCVRRESA-N 1 0 374.456 3.241 10 0 FGAERO COc1cc(OC)c(NC(=O)N[C@H](CC(C)C)C[NH+](C)C)cc1Cl ZINC000079496010 494466219 /nfs/dbraw/zinc/46/62/19/494466219.db2.gz YOWUDJJTOMEVGW-GFCCVEGCSA-N 1 0 357.882 3.455 10 0 FGAERO COc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccnc2Cl)cc1OC ZINC000056182113 494466720 /nfs/dbraw/zinc/46/67/20/494466720.db2.gz MJRORHONWHEEHX-NWDGAFQWSA-N 1 0 363.845 3.430 10 0 FGAERO COC(=O)Cn1cc(-c2nnc(C[NH+]3CCC(C)CC3)o2)c2ccccc21 ZINC000021779338 494505454 /nfs/dbraw/zinc/50/54/54/494505454.db2.gz JSENCSFNISVEAN-UHFFFAOYSA-N 1 0 368.437 3.096 10 0 FGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N(C)Cc1ccccc1Br ZINC000046280413 494511761 /nfs/dbraw/zinc/51/17/61/494511761.db2.gz FPKSJHYDKWILCR-ZDUSSCGKSA-N 1 0 356.308 3.321 10 0 FGAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccccc2OC[C@@H]2CCCCO2)C1 ZINC000056752876 494556783 /nfs/dbraw/zinc/55/67/83/494556783.db2.gz WVFVHMLESXRYTI-IRXDYDNUSA-N 1 0 361.486 3.240 10 0 FGAERO Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000121074356 494581753 /nfs/dbraw/zinc/58/17/53/494581753.db2.gz ZNBYQRHIDBSPSQ-QRVBRYPASA-N 1 0 370.518 3.038 10 0 FGAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)N[C@@H]3CC(C)(C)Oc4ccccc43)CC[C@@H]21 ZINC000121154986 494620464 /nfs/dbraw/zinc/62/04/64/494620464.db2.gz QLEFBIIOAABGDM-NXHRZFHOSA-N 1 0 357.498 3.415 10 0 FGAERO O=C(NCc1csc(-c2ccccc2)n1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000115830975 494635422 /nfs/dbraw/zinc/63/54/22/494635422.db2.gz SUVQPXGZEFCHDZ-QGZVFWFLSA-N 1 0 356.495 3.190 10 0 FGAERO O[C@H](COCc1ccc(Cl)cc1)CN1CCO[C@H](c2ccsc2)C1 ZINC000126193415 494667317 /nfs/dbraw/zinc/66/73/17/494667317.db2.gz IEQFBASGVAGWDW-ROUUACIJSA-N 1 0 367.898 3.353 10 0 FGAERO CCc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc(C(=O)NC)c2)cc1 ZINC000126259905 494689377 /nfs/dbraw/zinc/68/93/77/494689377.db2.gz DJSQHWHTIKJFSF-GJZGRUSLSA-N 1 0 353.466 3.286 10 0 FGAERO C[C@@H]([NH2+]CC(=O)Nc1ccccc1N1CCCC1=O)c1ccc(F)c(F)c1 ZINC000121339166 494709379 /nfs/dbraw/zinc/70/93/79/494709379.db2.gz CIBZSDWFDAYYDK-CYBMUJFWSA-N 1 0 373.403 3.381 10 0 FGAERO Cc1cccc(NC[C@H]2CC[N@@H+](Cc3cn(C)nc3-c3cccnc3)C2)n1 ZINC000092813144 494758981 /nfs/dbraw/zinc/75/89/81/494758981.db2.gz LAAPFLBBPMYLKO-QGZVFWFLSA-N 1 0 362.481 3.120 10 0 FGAERO COc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)cc1 ZINC000092812934 494759429 /nfs/dbraw/zinc/75/94/29/494759429.db2.gz BLXIFNIVZYJUIU-INIZCTEOSA-N 1 0 363.465 3.414 10 0 FGAERO CC(C)[N@H+]1C[C@H](NC(=O)NCc2csc(-c3ccccc3)n2)[C@@H](C)C1 ZINC000121540962 494797470 /nfs/dbraw/zinc/79/74/70/494797470.db2.gz YIWPGMFEKPOSFW-YOEHRIQHSA-N 1 0 358.511 3.338 10 0 FGAERO C[NH+](C)C[C@H]1CN(c2nc(-c3cccs3)nc3ccccc32)CCO1 ZINC000108952033 494810705 /nfs/dbraw/zinc/81/07/05/494810705.db2.gz CEAPTAASVHVUTM-AWEZNQCLSA-N 1 0 354.479 3.125 10 0 FGAERO C[N@H+](CCc1ccc(NS(C)(=O)=O)cc1)Cc1ccc(Cl)cc1 ZINC000026274558 494814572 /nfs/dbraw/zinc/81/45/72/494814572.db2.gz WRRZNWPPSPLWOQ-UHFFFAOYSA-N 1 0 352.887 3.386 10 0 FGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCCOCc1ccc(OC)cc1 ZINC000126719997 494825728 /nfs/dbraw/zinc/82/57/28/494825728.db2.gz YWOHOUDOTGFEQT-RBUKOAKNSA-N 1 0 360.498 3.077 10 0 FGAERO O=C(NC1CC[NH+](Cc2ccccn2)CC1)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109088509 494829660 /nfs/dbraw/zinc/82/96/60/494829660.db2.gz DLWCWOIIJZZAQD-ROUUACIJSA-N 1 0 371.431 3.244 10 0 FGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N(C)Cc1ccc(OC(F)F)cc1 ZINC000121664109 494833325 /nfs/dbraw/zinc/83/33/25/494833325.db2.gz KLGDZWKHTXRCIL-OAHLLOKOSA-N 1 0 357.445 3.406 10 0 FGAERO C[NH+](C)CCN(Cc1ccccn1)C(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109125283 494835764 /nfs/dbraw/zinc/83/57/64/494835764.db2.gz SLQQYGBQWVJHIX-SJORKVTESA-N 1 0 359.420 3.054 10 0 FGAERO C[NH+](C)[C@@H]1CCN(C(=O)Cn2c3ccccc3nc2C2CCCCC2)C1 ZINC000126832430 494846305 /nfs/dbraw/zinc/84/63/05/494846305.db2.gz CZAOCEZHTDZKSG-QGZVFWFLSA-N 1 0 354.498 3.247 10 0 FGAERO CC1CC[NH+](CC(=O)N2C[C@@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000093242436 494850144 /nfs/dbraw/zinc/85/01/44/494850144.db2.gz VEAQXIXGUAWVPA-DLBZAZTESA-N 1 0 370.415 3.072 10 0 FGAERO Cc1c(NC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)cccc1C(=O)N1CCCC1 ZINC000121747852 494851455 /nfs/dbraw/zinc/85/14/55/494851455.db2.gz ARJNTDYZWKMEDC-HNAYVOBHSA-N 1 0 372.513 3.081 10 0 FGAERO C[N@@H+](Cc1cnn(C(C)(C)C)c1)C[C@@H](c1cccs1)N1CCOCC1 ZINC000121749823 494852483 /nfs/dbraw/zinc/85/24/83/494852483.db2.gz VRNYWZAOUPPEDK-KRWDZBQOSA-N 1 0 362.543 3.205 10 0 FGAERO Cc1cc(C(=O)N2CCO[C@H](C[NH+](C)C)C2)sc1-c1ccc(F)cc1 ZINC000116795395 494853896 /nfs/dbraw/zinc/85/38/96/494853896.db2.gz PNPMJBKYGBRZMC-MRXNPFEDSA-N 1 0 362.470 3.265 10 0 FGAERO Cc1ccc(N2CCC[N@H+](Cc3cccc4c3OC(C)(C)C4)CC2)nn1 ZINC000093271766 494854724 /nfs/dbraw/zinc/85/47/24/494854724.db2.gz VMPNWZFBUUIIIF-UHFFFAOYSA-N 1 0 352.482 3.211 10 0 FGAERO COc1ccc(Br)c(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)c1 ZINC000121835363 494870570 /nfs/dbraw/zinc/87/05/70/494870570.db2.gz YJHKNYMAPPWVGY-ABAIWWIYSA-N 1 0 370.291 3.308 10 0 FGAERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3cn(-c4ccccc4)nc3C)C2)n1 ZINC000121924332 494891372 /nfs/dbraw/zinc/89/13/72/494891372.db2.gz NLMWKTHVKAFBTR-LJQANCHMSA-N 1 0 364.497 3.301 10 0 FGAERO O=C(Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)c1cnc(Cl)c(Cl)c1 ZINC000117721335 494948777 /nfs/dbraw/zinc/94/87/77/494948777.db2.gz TYKADUHZARVWIN-AWEZNQCLSA-N 1 0 352.221 3.302 10 0 FGAERO COC(Cc1cc(Br)ccc1N[C@@H]1C[NH+]2CCC1CC2)OC ZINC000118475037 495004772 /nfs/dbraw/zinc/00/47/72/495004772.db2.gz DMVDFVGIVHSSLZ-MRXNPFEDSA-N 1 0 369.303 3.117 10 0 FGAERO CC[NH+](CC)C[C@H]1O[C@H](Cc2cc(COc3ccccc3)on2)CC[C@@H]1O ZINC000096296031 495010048 /nfs/dbraw/zinc/01/00/48/495010048.db2.gz MMGONIJSWILNRX-SESVDKBCSA-N 1 0 374.481 3.046 10 0 FGAERO O=c1c2ccccc2c(C[NH+]2CCC(CO)CC2)cn1Cc1ccccc1 ZINC000096836642 495014473 /nfs/dbraw/zinc/01/44/73/495014473.db2.gz DGHJWHBKAREBHD-UHFFFAOYSA-N 1 0 362.473 3.254 10 0 FGAERO Clc1cc(Cl)cc(OCC[N@@H+]2CCCN(c3cccnn3)CC2)c1 ZINC000119098262 495091564 /nfs/dbraw/zinc/09/15/64/495091564.db2.gz NPHWTIWKMMQNAN-UHFFFAOYSA-N 1 0 367.280 3.375 10 0 FGAERO CC(C)n1ncc2cc(C[N@@H+]3CCC[C@H](Cn4cncn4)C3)c(Cl)nc21 ZINC000128618801 495125240 /nfs/dbraw/zinc/12/52/40/495125240.db2.gz BKBZKSWERVIPOZ-AWEZNQCLSA-N 1 0 373.892 3.169 10 0 FGAERO C[NH+](C)C[C@H]1CN(CCCCOc2ccccc2C(F)(F)F)CCO1 ZINC000119300939 495137600 /nfs/dbraw/zinc/13/76/00/495137600.db2.gz WUAOPIQEMMHZIG-HNNXBMFYSA-N 1 0 360.420 3.127 10 0 FGAERO COc1cc2c(cc1OC)CN(C(=O)C[NH2+][C@H](C)c1ccccc1C)CC2 ZINC000102683761 495153332 /nfs/dbraw/zinc/15/33/32/495153332.db2.gz WBDVGGGAKHXUDD-MRXNPFEDSA-N 1 0 368.477 3.248 10 0 FGAERO Cc1ccccc1CCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000119398354 495158458 /nfs/dbraw/zinc/15/84/58/495158458.db2.gz YQNRKZKPLPWSCC-SJORKVTESA-N 1 0 368.477 3.164 10 0 FGAERO CCc1nc2n(n1)C[C@@H]([NH2+]Cc1c(-c3ccccc3)nc3ccccn31)CC2 ZINC000112550593 495203944 /nfs/dbraw/zinc/20/39/44/495203944.db2.gz FGJMDSJLHAKMRS-KRWDZBQOSA-N 1 0 372.476 3.260 10 0 FGAERO C[C@H](NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1)c1nc(C2CC2)no1 ZINC000112550110 495204262 /nfs/dbraw/zinc/20/42/62/495204262.db2.gz HAEPDKGHABWRJP-KXBFYZLASA-N 1 0 370.497 3.043 10 0 FGAERO C[C@H]1CCCN(c2cc(N3CCC[C@H](CNC(=O)C(C)(C)C)C3)ncn2)C1 ZINC000112695537 495223841 /nfs/dbraw/zinc/22/38/41/495223841.db2.gz DFGDDKPJZCNQRP-DLBZAZTESA-N 1 0 373.545 3.092 10 0 FGAERO Cc1cnn(CC[NH2+][C@@H](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)c1 ZINC000124034155 495224401 /nfs/dbraw/zinc/22/44/01/495224401.db2.gz KKMLQSKRSZUPCV-ZDUSSCGKSA-N 1 0 370.375 3.097 10 0 FGAERO Cc1cnn(CC[NH2+][C@@H](C)c2ccc(I)cc2)c1 ZINC000124068200 495228887 /nfs/dbraw/zinc/22/88/87/495228887.db2.gz GTOBMOHBNCBYLK-LBPRGKRZSA-N 1 0 355.223 3.147 10 0 FGAERO COC[C@@H](C)C(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000103432648 495231758 /nfs/dbraw/zinc/23/17/58/495231758.db2.gz AYAUVUWNWVZTPY-CQSZACIVSA-N 1 0 372.431 3.411 10 0 FGAERO CCc1csc([C@H]2CCC[N@H+](CCc3nc4ccccc4c(=O)[nH]3)C2)n1 ZINC000103473088 495237723 /nfs/dbraw/zinc/23/77/23/495237723.db2.gz PARDNFNEOIIITF-AWEZNQCLSA-N 1 0 368.506 3.364 10 0 FGAERO Cc1cccc(C)c1NC(=O)CN(C)C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000124170839 495245401 /nfs/dbraw/zinc/24/54/01/495245401.db2.gz QBWDJXPNJLZQIG-GOSISDBHSA-N 1 0 374.529 3.004 10 0 FGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C1(c2cccc(Br)c2)CC1 ZINC000113228826 495286861 /nfs/dbraw/zinc/28/68/61/495286861.db2.gz NMSZFPLZAPBHGM-XJKSGUPXSA-N 1 0 363.299 3.176 10 0 FGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccccc1NC(=O)c1ccsc1 ZINC000113231842 495286895 /nfs/dbraw/zinc/28/68/95/495286895.db2.gz OCNYGGURTNYPFP-GOEBONIOSA-N 1 0 369.490 3.309 10 0 FGAERO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1ccc2c(ccn2CC(C)C)c1 ZINC000120005947 495287419 /nfs/dbraw/zinc/28/74/19/495287419.db2.gz VJKPKJNUWFHBNB-INIZCTEOSA-N 1 0 372.513 3.082 10 0 FGAERO CCOCC[N@@H+]1CCN(C(=O)Nc2cccc([C@@H](C)OC)c2)C[C@H]1CC ZINC000120059307 495298618 /nfs/dbraw/zinc/29/86/18/495298618.db2.gz UKJLBWHBQOYYRV-VQIMIIECSA-N 1 0 363.502 3.359 10 0 FGAERO CCc1csc([C@H]2CCCN(C(=O)NCCC[NH+](CC)CC)C2)n1 ZINC000113577621 495315909 /nfs/dbraw/zinc/31/59/09/495315909.db2.gz ODTZBLDBZDYQEO-HNNXBMFYSA-N 1 0 352.548 3.326 10 0 FGAERO C[C@H](NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C)c1ccc(OC(F)F)cc1 ZINC000113592521 495318483 /nfs/dbraw/zinc/31/84/83/495318483.db2.gz ALFXZPIHLHAAND-KCQAQPDRSA-N 1 0 353.413 3.227 10 0 FGAERO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1cc(Cl)c(C)c(Cl)c1 ZINC000124627464 495318528 /nfs/dbraw/zinc/31/85/28/495318528.db2.gz UGPGEKBTDDWWTQ-JTQLQIEISA-N 1 0 360.285 3.087 10 0 FGAERO COC[C@@H]1CCCN(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000113606234 495320284 /nfs/dbraw/zinc/32/02/84/495320284.db2.gz MFMSBAUSHRRHOU-WOJBJXKFSA-N 1 0 359.514 3.109 10 0 FGAERO C[N@H+](Cc1ccc(OC(F)F)c(F)c1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000120174482 495321057 /nfs/dbraw/zinc/32/10/57/495321057.db2.gz KQQCOJUEYNUCII-CQSZACIVSA-N 1 0 366.387 3.318 10 0 FGAERO CN(C)c1ccc(C(F)(F)F)cc1NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000104982026 495321366 /nfs/dbraw/zinc/32/13/66/495321366.db2.gz IHRLXCFSSPDART-CQSZACIVSA-N 1 0 370.419 3.473 10 0 FGAERO CC(C)CCC[C@H](C)NC(=O)C[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000120175906 495322141 /nfs/dbraw/zinc/32/21/41/495322141.db2.gz HEGIIGXIATXEJQ-JKSUJKDBSA-N 1 0 368.543 3.072 10 0 FGAERO CC(=O)Nc1ccc(Cl)c(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000105010981 495325695 /nfs/dbraw/zinc/32/56/95/495325695.db2.gz LOBOPQGFXULBNA-CQSZACIVSA-N 1 0 350.850 3.000 10 0 FGAERO COc1cc(C[NH+]2CCC(Nc3cccnn3)CC2)c(SC)cc1OC ZINC000120277305 495341985 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CCCC(=O)N[C@H]1CCCN([C@@H](C)C(=O)Nc2cccc(SC)c2)C1 ZINC000101564021 495077062 /nfs/dbraw/zinc/07/70/62/495077062.db2.gz BJWVLAWRJYZLNI-HOCLYGCPSA-N 1 0 363.527 3.116 10 0 FGAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000133953593 495086390 /nfs/dbraw/zinc/08/63/90/495086390.db2.gz UPYNGYBNZZHSBC-GFCCVEGCSA-N 1 0 359.297 3.158 10 0 FGAERO CC[NH+](CC)CCn1ccc2cc(NC(=O)C(=O)N[C@H](C)C(C)C)ccc21 ZINC000119087371 495089414 /nfs/dbraw/zinc/08/94/14/495089414.db2.gz FWFAAHIECQNMOJ-MRXNPFEDSA-N 1 0 372.513 3.082 10 0 FGAERO Clc1cccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)c1 ZINC000128560799 495116234 /nfs/dbraw/zinc/11/62/34/495116234.db2.gz FDMLLXYKPFBRRP-CQSZACIVSA-N 1 0 356.861 3.234 10 0 FGAERO Cn1cc(C[N@@H+]2CCCN(Cc3cc(Cl)ccc3Cl)CC2)cn1 ZINC000119218990 495120104 /nfs/dbraw/zinc/12/01/04/495120104.db2.gz GQWFRLJQKBMXKD-UHFFFAOYSA-N 1 0 353.297 3.435 10 0 FGAERO Cc1cnn([C@@H]2CCCN(C(=O)NC[C@H](C)[N@H+](C)Cc3ccccc3)C2)c1 ZINC000111875269 495123843 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FGAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccccc2NC(=O)OCc2ccccc2)C1 ZINC000183015339 495799097 /nfs/dbraw/zinc/79/90/97/495799097.db2.gz UCRKRMAITJKOAH-QGZVFWFLSA-N 1 0 367.449 3.211 10 0 FGAERO CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000180068856 495844295 /nfs/dbraw/zinc/84/42/95/495844295.db2.gz VAQPYXWIKQMQFZ-ABAIWWIYSA-N 1 0 371.403 3.369 10 0 FGAERO CC[NH+](CC)CCN[C@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186075716 495845942 /nfs/dbraw/zinc/84/59/42/495845942.db2.gz CWQCGNRLJPQNMF-QGZVFWFLSA-N 1 0 363.303 3.260 10 0 FGAERO CCCn1cc(CN2CCC[N@H+](Cc3cn(C)nc3C(C)(C)C)CC2)cn1 ZINC000180112806 495862616 /nfs/dbraw/zinc/86/26/16/495862616.db2.gz YLXGKFQVJYHGQH-UHFFFAOYSA-N 1 0 372.561 3.032 10 0 FGAERO C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000151522915 495867017 /nfs/dbraw/zinc/86/70/17/495867017.db2.gz VAYGXBUTTSHYAU-INIZCTEOSA-N 1 0 365.433 3.183 10 0 FGAERO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H]2Cn2ccnc2C)cc1 ZINC000180132822 495873313 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CCN(C(=O)[C@H](C)[N@@H+]1CCC[C@H](Cc2noc(C)n2)C1)C1CCCCC1 ZINC000171503874 495903460 /nfs/dbraw/zinc/90/34/60/495903460.db2.gz SBGAVTZGNNPPQN-DOTOQJQBSA-N 1 0 362.518 3.202 10 0 FGAERO COC(=O)C1CCC(C(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000180216887 495911186 /nfs/dbraw/zinc/91/11/86/495911186.db2.gz YJGZLNWOGBANHP-UHFFFAOYSA-N 1 0 372.509 3.089 10 0 FGAERO CC[C@@H](O)CC[NH2+][C@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186253107 495914919 /nfs/dbraw/zinc/91/49/19/495914919.db2.gz GQAKUIVGPHIUOH-HZPDHXFCSA-N 1 0 350.260 3.079 10 0 FGAERO C[C@H](C[N@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1)c1cccc(Br)c1 ZINC000180235139 495919825 /nfs/dbraw/zinc/91/98/25/495919825.db2.gz CMIVBRICJBGCOI-VKJFTORMSA-N 1 0 367.331 3.205 10 0 FGAERO CCC[C@@H]1CN(Cc2nnc(C3CC3)n2C)CC[N@@H+]1Cc1ccccc1 ZINC000180276854 495934048 /nfs/dbraw/zinc/93/40/48/495934048.db2.gz PZNRLANHQQIGAF-LJQANCHMSA-N 1 0 353.514 3.179 10 0 FGAERO CCO[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccccc3OC)CC2)C12CCOCC2 ZINC000186299792 495934965 /nfs/dbraw/zinc/93/49/65/495934965.db2.gz WSZYSGZYYIWXMH-NHCUHLMSSA-N 1 0 374.525 3.228 10 0 FGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1 ZINC000177135816 495941741 /nfs/dbraw/zinc/94/17/41/495941741.db2.gz ZYUPAGSIJAJRDT-HNAYVOBHSA-N 1 0 370.497 3.059 10 0 FGAERO CC(C)[N@H+]1C[C@H](NC(=O)Cc2csc(-c3cccc(F)c3)n2)[C@@H](C)C1 ZINC000155406158 495948403 /nfs/dbraw/zinc/94/84/03/495948403.db2.gz ITXMNEYMOVJUCD-GUYCJALGSA-N 1 0 361.486 3.337 10 0 FGAERO O=C(Nc1ccc2nc(-c3ccccn3)oc2c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000180329841 495953819 /nfs/dbraw/zinc/95/38/19/495953819.db2.gz ITZXVCFVWHPREU-HNNXBMFYSA-N 1 0 363.421 3.202 10 0 FGAERO Cc1ccc(N2CCC[N@H+](Cc3ccc4c(c3)COC(C)(C)O4)CC2)nn1 ZINC000186346585 495957846 /nfs/dbraw/zinc/95/78/46/495957846.db2.gz KJZXNZRDXNVISC-UHFFFAOYSA-N 1 0 368.481 3.142 10 0 FGAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)C2(c3ccccc3)CCCC2)CC1 ZINC000180356359 495964629 /nfs/dbraw/zinc/96/46/29/495964629.db2.gz LSRDZFKXQKIATB-GOSISDBHSA-N 1 0 358.526 3.050 10 0 FGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCCCOCc1ccccc1 ZINC000174465161 495971115 /nfs/dbraw/zinc/97/11/15/495971115.db2.gz MXAGQSCFQKWWDD-VQTJNVASSA-N 1 0 359.514 3.252 10 0 FGAERO COc1ccc(C[C@@H](C)C[NH2+][C@@H]2CCc3nnc(C(C)C)n3C2)cc1F ZINC000186374810 495971269 /nfs/dbraw/zinc/97/12/69/495971269.db2.gz VXPIVJQJMMSSIW-GDBMZVCRSA-N 1 0 360.477 3.332 10 0 FGAERO Cc1cccc(NC[C@H]2CCN(CC(=O)Nc3ccc(F)cc3F)C2)[nH+]1 ZINC000171653318 495971963 /nfs/dbraw/zinc/97/19/63/495971963.db2.gz ZBLYPIFROBYMEF-CQSZACIVSA-N 1 0 360.408 3.041 10 0 FGAERO CCO[C@@H]1C[C@@H]([NH2+]CCc2nc3c(s2)CCCC3)C12CCOCC2 ZINC000186405690 495986062 /nfs/dbraw/zinc/98/60/62/495986062.db2.gz BLKZELBEPLGTFR-IAGOWNOFSA-N 1 0 350.528 3.128 10 0 FGAERO Cc1cc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)ccc1NC(=O)CC(C)C ZINC000155559324 495995293 /nfs/dbraw/zinc/99/52/93/495995293.db2.gz MLJVDIORVZLHMI-LPHOPBHVSA-N 1 0 359.514 3.438 10 0 FGAERO O=C(CCSc1ccccc1Br)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171756649 496023461 /nfs/dbraw/zinc/02/34/61/496023461.db2.gz GKVANQANJONSID-CYBMUJFWSA-N 1 0 369.328 3.238 10 0 FGAERO COc1cc([C@@H](C)[NH2+][C@@H]2CCc3nnc(C(C)C)n3C2)cc(OC)c1OC ZINC000180521319 496031445 /nfs/dbraw/zinc/03/14/45/496031445.db2.gz KCRNWQAWUAROOO-UKRRQHHQSA-N 1 0 374.485 3.093 10 0 FGAERO COc1cc(C)c([C@H](C)[NH2+][C@H]2CCc3nnc(C(C)C)n3C2)cc1OC ZINC000180534050 496033979 /nfs/dbraw/zinc/03/39/79/496033979.db2.gz UNWDPCBBYANPBY-GJZGRUSLSA-N 1 0 358.486 3.393 10 0 FGAERO COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3nnc(C(C)C)n3C1)CCCO2 ZINC000180531982 496034727 /nfs/dbraw/zinc/03/47/27/496034727.db2.gz CJXJUOOHBXLGGZ-WMLDXEAASA-N 1 0 356.470 3.228 10 0 FGAERO C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171782355 496035517 /nfs/dbraw/zinc/03/55/17/496035517.db2.gz KYFWTWDTMDRJIM-XJKSGUPXSA-N 1 0 355.404 3.126 10 0 FGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1cccnc1OC1CCCC1 ZINC000177392239 496043845 /nfs/dbraw/zinc/04/38/45/496043845.db2.gz GKCYFYPICLCUML-QGZVFWFLSA-N 1 0 360.502 3.029 10 0 FGAERO CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2ccc3ccccc3n2)ncn1 ZINC000180569085 496048695 /nfs/dbraw/zinc/04/86/95/496048695.db2.gz LQQDVUAWGAKTGY-RDJZCZTQSA-N 1 0 362.481 3.386 10 0 FGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000177413276 496052992 /nfs/dbraw/zinc/05/29/92/496052992.db2.gz IBNIERMHCNGWRO-LSDHHAIUSA-N 1 0 351.495 3.016 10 0 FGAERO CC(C)c1nc([C@H]2CCCN2C(=O)NCC[N@H+](C)Cc2ccccc2)no1 ZINC000177441031 496062423 /nfs/dbraw/zinc/06/24/23/496062423.db2.gz JBYKULXLCHLZSZ-QGZVFWFLSA-N 1 0 371.485 3.172 10 0 FGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1sccc1Br ZINC000177449895 496065670 /nfs/dbraw/zinc/06/56/70/496065670.db2.gz YSGZSYLAZOVGRY-NSHDSACASA-N 1 0 360.321 3.136 10 0 FGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccccc1N1CCCCC1 ZINC000183681716 496076902 /nfs/dbraw/zinc/07/69/02/496076902.db2.gz CMPUXQJIXQWCQM-IEBWSBKVSA-N 1 0 356.514 3.055 10 0 FGAERO CC(C)n1nccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(-n2ccnc2)c1 ZINC000180649173 496085883 /nfs/dbraw/zinc/08/58/83/496085883.db2.gz SWQLUSVUYWYSCU-CVEARBPZSA-N 1 0 366.469 3.328 10 0 FGAERO COC[C@H](Cc1ccccc1)[NH2+]C[C@@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000180663690 496093836 /nfs/dbraw/zinc/09/38/36/496093836.db2.gz RHZNIHRGFJIYRC-HOJAQTOUSA-N 1 0 374.550 3.357 10 0 FGAERO C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1F)c1cccc(-n2ccnc2)c1 ZINC000180670142 496097080 /nfs/dbraw/zinc/09/70/80/496097080.db2.gz QNBSJMPAJGWZCF-CVEARBPZSA-N 1 0 366.440 3.367 10 0 FGAERO CCOC(=O)Nc1ccc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2CC)cc1 ZINC000177523874 496097473 /nfs/dbraw/zinc/09/74/73/496097473.db2.gz WNPKAYCRSFBUQE-DLBZAZTESA-N 1 0 360.458 3.346 10 0 FGAERO C[C@@H](NC(=O)C[NH2+][C@H](C)c1cccc(-n2ccnc2)c1)c1cccs1 ZINC000180671755 496097915 /nfs/dbraw/zinc/09/79/15/496097915.db2.gz XBJZVKOLLOYOPK-HUUCEWRRSA-N 1 0 354.479 3.462 10 0 FGAERO CCn1c(C)nnc1C[NH2+]C(C)(C)Cc1ccc(Br)cc1 ZINC000171947529 496105198 /nfs/dbraw/zinc/10/51/98/496105198.db2.gz MOJRSQODIQEZEV-UHFFFAOYSA-N 1 0 351.292 3.480 10 0 FGAERO CC[C@H](O)CN(Cc1ccccc1)C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000152419710 496145783 /nfs/dbraw/zinc/14/57/83/496145783.db2.gz LYFBENZEZWLHJP-UXHICEINSA-N 1 0 361.530 3.090 10 0 FGAERO O=C(COc1ccccc1C[NH2+][C@@H]1CCOc2ccccc21)NCC1CC1 ZINC000172063306 496149012 /nfs/dbraw/zinc/14/90/12/496149012.db2.gz QOJYFXXZLKQCBZ-LJQANCHMSA-N 1 0 366.461 3.205 10 0 FGAERO CCN(C(=O)CN(C)C[C@@H]1CCC[N@@H+]1CC)c1nc2ccccc2s1 ZINC000177701379 496164937 /nfs/dbraw/zinc/16/49/37/496164937.db2.gz YDHYOMSCLQOJCM-HNNXBMFYSA-N 1 0 360.527 3.065 10 0 FGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nc(COc2cc(C)cc(C)c2)no1 ZINC000180847848 496169713 /nfs/dbraw/zinc/16/97/13/496169713.db2.gz IRIJMGIGMVZYQL-ZWKOTPCHSA-N 1 0 370.497 3.324 10 0 FGAERO O=C(NCc1cccc(C[NH+]2CCCC2)c1)N1CCC(c2cc[nH]n2)CC1 ZINC000156152800 496172104 /nfs/dbraw/zinc/17/21/04/496172104.db2.gz HCLKGPUWLKGALK-UHFFFAOYSA-N 1 0 367.497 3.095 10 0 FGAERO CCOc1cccc(CNC(=O)C[NH2+][C@@H](C)c2ccc(OC)c(OC)c2)c1 ZINC000180890724 496188083 /nfs/dbraw/zinc/18/80/83/496188083.db2.gz VHJOGTCMVFTJQK-HNNXBMFYSA-N 1 0 372.465 3.070 10 0 FGAERO CCOCCOCc1cccc(NC(=O)N[C@@H]2CCC[N@H+](CC)C2)c1C ZINC000174984399 496193470 /nfs/dbraw/zinc/19/34/70/496193470.db2.gz CLSYLVWQOQWZHH-GOSISDBHSA-N 1 0 363.502 3.154 10 0 FGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCCc1nc(-c2cccs2)no1 ZINC000174997488 496200318 /nfs/dbraw/zinc/20/03/18/496200318.db2.gz OOBONSYCRLYKAA-HUUCEWRRSA-N 1 0 374.510 3.206 10 0 FGAERO [NH3+][C@@H]1CCC[C@@H](C(=O)NC2(c3cccc(Br)c3)CCC2)C1 ZINC000152683765 496225265 /nfs/dbraw/zinc/22/52/65/496225265.db2.gz FULWFPWSOYWZBM-IUODEOHRSA-N 1 0 351.288 3.462 10 0 FGAERO CC(C)c1ccc([C@@H]2C[C@H]2C(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)cc1 ZINC000184171729 496269800 /nfs/dbraw/zinc/26/98/00/496269800.db2.gz QUQVOGHKAVSWLP-LEWJYISDSA-N 1 0 371.569 3.446 10 0 FGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000187052053 496271499 /nfs/dbraw/zinc/27/14/99/496271499.db2.gz JNYQILJXGJVIOX-QAPCUYQASA-N 1 0 369.456 3.024 10 0 FGAERO O=C(NCc1ccccc1-c1ccc(Cn2cccn2)cc1)[C@H]1CCC[NH2+]C1 ZINC000156540934 496273986 /nfs/dbraw/zinc/27/39/86/496273986.db2.gz VOPCUEWBWFWMOG-NRFANRHFSA-N 1 0 374.488 3.214 10 0 FGAERO C[NH+](C)CCn1c2cc(NC(=O)[C@@H]3C[C@H]3C3CCCCC3)ccc2oc1=O ZINC000152847991 496275119 /nfs/dbraw/zinc/27/51/19/496275119.db2.gz QMQXKXLPOBBMQF-DLBZAZTESA-N 1 0 371.481 3.311 10 0 FGAERO Cc1ccccc1[C@@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)c1ccccc1 ZINC000175171569 496277063 /nfs/dbraw/zinc/27/70/63/496277063.db2.gz WDNUFWDZJVREMW-FQEVSTJZSA-N 1 0 358.507 3.098 10 0 FGAERO CCN(CCC[NH2+][C@@H](c1ccccc1)c1ccccc1C)S(C)(=O)=O ZINC000175172423 496277239 /nfs/dbraw/zinc/27/72/39/496277239.db2.gz VALFLNNPZYRNAX-FQEVSTJZSA-N 1 0 360.523 3.346 10 0 FGAERO CCC[C@@H](C(=O)NCC1(c2ccccc2Cl)CCOCC1)[NH+](C)C ZINC000162032106 496282930 /nfs/dbraw/zinc/28/29/30/496282930.db2.gz JDMNUCMXAHSWBV-KRWDZBQOSA-N 1 0 352.906 3.235 10 0 FGAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@H](C)CCCc2ccccc2)CC1 ZINC000181183564 496302686 /nfs/dbraw/zinc/30/26/86/496302686.db2.gz SLXBJDNDIFXTND-OALUTQOASA-N 1 0 360.542 3.197 10 0 FGAERO [NH3+]CCCOC1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000162188690 496311132 /nfs/dbraw/zinc/31/11/32/496311132.db2.gz PQDPZPUPFAWWQA-LSDHHAIUSA-N 1 0 371.308 3.453 10 0 FGAERO C[NH+]1CCC(Oc2ccc(NC(=O)c3noc4c3CCCCC4)cn2)CC1 ZINC000156784719 496333757 /nfs/dbraw/zinc/33/37/57/496333757.db2.gz CDQHCAQEMHETCD-UHFFFAOYSA-N 1 0 370.453 3.064 10 0 FGAERO O[C@@H](COCc1ccc(Cl)cc1)CN1CCC[N@@H+](C2CCCC2)CC1 ZINC000172584216 496351619 /nfs/dbraw/zinc/35/16/19/496351619.db2.gz HSQAYGREKLOUNG-HXUWFJFHSA-N 1 0 366.933 3.168 10 0 FGAERO C[C@@H]1CC[C@@H](C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)O1 ZINC000153143065 496366080 /nfs/dbraw/zinc/36/60/80/496366080.db2.gz PASQCPWOLFDKIV-KDOFPFPSSA-N 1 0 350.890 3.236 10 0 FGAERO Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178211832 496371380 /nfs/dbraw/zinc/37/13/80/496371380.db2.gz MGGAVHVOHXDQLK-MJGOQNOKSA-N 1 0 358.530 3.355 10 0 FGAERO CC[N@@H+]1CCC[C@H](NC(=O)Cc2c[nH]c3cccc(Br)c23)C1 ZINC000153209026 496384032 /nfs/dbraw/zinc/38/40/32/496384032.db2.gz XGWZLKFPQXDGNA-ZDUSSCGKSA-N 1 0 364.287 3.073 10 0 FGAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000178288146 496399694 /nfs/dbraw/zinc/39/96/94/496399694.db2.gz VGXWLQMKFAFREU-ZWKOTPCHSA-N 1 0 358.873 3.115 10 0 FGAERO CCCN(Cc1ccc(C)cc1)C(=O)C[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000178301544 496403825 /nfs/dbraw/zinc/40/38/25/496403825.db2.gz HNVYKNFDIPZDHX-NRFANRHFSA-N 1 0 368.525 3.403 10 0 FGAERO Cc1nc(CN2CCC[N@H+](CC3=Cc4ccccc4OC3)CC2)cs1 ZINC000157245085 496436066 /nfs/dbraw/zinc/43/60/66/496436066.db2.gz QBVKMRAUWOQRCF-UHFFFAOYSA-N 1 0 355.507 3.435 10 0 FGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C1(c2ccc(OC)c(OC)c2)CCCC1 ZINC000181547317 496440759 /nfs/dbraw/zinc/44/07/59/496440759.db2.gz UATGIRLNVCQNOL-GOSISDBHSA-N 1 0 374.525 3.458 10 0 FGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccccc1C(=O)N1CCCC1 ZINC000181579002 496455170 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3.361 10 0 FGAERO O[C@@H](COCc1ccc(Cl)cc1)CN1CC[NH+](C2CCCCC2)CC1 ZINC000163898946 496568081 /nfs/dbraw/zinc/56/80/81/496568081.db2.gz QLFKHNNLZKNSCV-HXUWFJFHSA-N 1 0 366.933 3.168 10 0 FGAERO O[C@H](COCc1ccc(Cl)cc1)CN1CC[NH+](C2CCCCC2)CC1 ZINC000163899059 496568290 /nfs/dbraw/zinc/56/82/90/496568290.db2.gz QLFKHNNLZKNSCV-FQEVSTJZSA-N 1 0 366.933 3.168 10 0 FGAERO Cc1ccc([C@H](C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)N2CCOCC2)s1 ZINC000181940702 496605526 /nfs/dbraw/zinc/60/55/26/496605526.db2.gz JHAYXBNANQFLMP-DKKFBQAASA-N 1 0 364.555 3.223 10 0 FGAERO Cc1ccccc1[C@@H](C)NC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000173243036 496607425 /nfs/dbraw/zinc/60/74/25/496607425.db2.gz LDGRREODGZDTSD-LJQANCHMSA-N 1 0 372.557 3.306 10 0 FGAERO CC[NH+]1CCC(CCNC(=O)N2CCC[C@H]2c2c(C)nn(C)c2C)CC1 ZINC000175951993 496615060 /nfs/dbraw/zinc/61/50/60/496615060.db2.gz IVGLECJHCJFNAJ-SFHVURJKSA-N 1 0 361.534 3.005 10 0 FGAERO Fc1cccc(Cl)c1CN1CCC([NH2+][C@@H]2CCCn3ncnc32)CC1 ZINC000164811122 496633272 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496741728 /nfs/dbraw/zinc/74/17/28/496741728.db2.gz VTFPRUVHQUZWOD-OXJNMPFZSA-N 1 0 352.482 3.277 10 0 FGAERO Cc1nc(CN2CCCN(C(=O)NC[C@H]3CCC[C@@H](C)C3)CC2)cs1 ZINC000246997952 496746646 /nfs/dbraw/zinc/74/66/46/496746646.db2.gz LTZMXMNQHOWZJY-WBVHZDCISA-N 1 0 364.559 3.495 10 0 FGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1nn(-c2ccccc2)c2c1CCC2 ZINC000247025937 496756813 /nfs/dbraw/zinc/75/68/13/496756813.db2.gz SZOWHPCORIMMJO-AEFFLSMTSA-N 1 0 364.493 3.060 10 0 FGAERO Cc1nccn1C[C@H]1CCC[N@H+]1CC(=O)N[C@H](c1ccc(F)cc1)C(C)C ZINC000247030992 496758406 /nfs/dbraw/zinc/75/84/06/496758406.db2.gz MIOSKSIMAPGFSD-CTNGQTDRSA-N 1 0 372.488 3.309 10 0 FGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc(OCc2cccnc2)c1 ZINC000247047998 496762792 /nfs/dbraw/zinc/76/27/92/496762792.db2.gz WCAAKZSZMCVBBR-UXHICEINSA-N 1 0 365.477 3.359 10 0 FGAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N[C@@H](C)c2cccc(N3CCCC3)c2)C1 ZINC000247049890 496762958 /nfs/dbraw/zinc/76/29/58/496762958.db2.gz IHHZCKJUDWLVAY-FUHIMQAGSA-N 1 0 358.530 3.376 10 0 FGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(N2CCC(C)CC2)nc1 ZINC000247059339 496767379 /nfs/dbraw/zinc/76/73/79/496767379.db2.gz XBNDUABHZJCDHB-MOPGFXCFSA-N 1 0 356.514 3.017 10 0 FGAERO CC[C@@H]1CN(C(=O)Nc2ccc(-c3nccs3)cc2)CC[N@@H+]1C[C@H](C)O ZINC000247067806 496769440 /nfs/dbraw/zinc/76/94/40/496769440.db2.gz OLDRHMFSPOJTQW-WMLDXEAASA-N 1 0 374.510 3.119 10 0 FGAERO Fc1ccc(C2(C[NH2+][C@@H](c3ncc[nH]3)c3cccnc3)CCOCC2)cc1 ZINC000194998043 496785501 /nfs/dbraw/zinc/78/55/01/496785501.db2.gz NEZYFRHPZCZSRJ-LJQANCHMSA-N 1 0 366.440 3.371 10 0 FGAERO CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[C@@H]2c2ccccc2OC(F)(F)F)C1 ZINC000247175855 496799338 /nfs/dbraw/zinc/79/93/38/496799338.db2.gz LNTMPSHNNLOIFX-CFVMTHIKSA-N 1 0 356.388 3.289 10 0 FGAERO O=C(Cc1csc(Cc2ccc(F)cc2)n1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195044731 496802227 /nfs/dbraw/zinc/80/22/27/496802227.db2.gz UUBSUJNJQMBVOT-GOSISDBHSA-N 1 0 373.497 3.112 10 0 FGAERO CCCO[C@H]1CCC[N@H+](C[C@@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000247272476 496822377 /nfs/dbraw/zinc/82/23/77/496822377.db2.gz YCXHJUBYMWZXFD-MOPGFXCFSA-N 1 0 355.906 3.499 10 0 FGAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N[C@@H]2CCSc3c(F)cccc32)C1 ZINC000247282058 496823931 /nfs/dbraw/zinc/82/39/31/496823931.db2.gz KIZGEGMECPVECM-DAXOMENPSA-N 1 0 351.491 3.391 10 0 FGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@H]2C[C@H]2c2cccc(Br)c2)C1 ZINC000247296246 496827275 /nfs/dbraw/zinc/82/72/75/496827275.db2.gz LCBLBAYVZWTUDM-ZCPGHIKRSA-N 1 0 365.315 3.398 10 0 FGAERO C[C@H](COCc1ccccc1)NC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000247373520 496847305 /nfs/dbraw/zinc/84/73/05/496847305.db2.gz DPTGGOIBRBWCKR-RTBURBONSA-N 1 0 361.530 3.403 10 0 FGAERO O[C@@H](COCc1ccc(Cl)cc1)C[NH+]1CCC(c2ccncc2)CC1 ZINC000191674319 496851550 /nfs/dbraw/zinc/85/15/50/496851550.db2.gz PGGIQIXMLATHQB-HXUWFJFHSA-N 1 0 360.885 3.492 10 0 FGAERO CCOCC[N@@H+]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)C[C@@H]1CC ZINC000247403787 496852505 /nfs/dbraw/zinc/85/25/05/496852505.db2.gz MTWKMQGIXCGSJX-BHYGNILZSA-N 1 0 366.452 3.028 10 0 FGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CSCc1coc(-c2ccccc2)n1 ZINC000247409559 496853502 /nfs/dbraw/zinc/85/35/02/496853502.db2.gz QAHYHWRUPUOXJF-QAPCUYQASA-N 1 0 371.506 3.270 10 0 FGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cnc(Cc2ccc(F)cc2)s1 ZINC000247458969 496863139 /nfs/dbraw/zinc/86/31/39/496863139.db2.gz QRDPXQBBJUOYMV-BBRMVZONSA-N 1 0 359.470 3.182 10 0 FGAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2cc(Cl)ccc2O[C@@H](C)COC)C1 ZINC000191743563 496875046 /nfs/dbraw/zinc/87/50/46/496875046.db2.gz VANQZVXBUAYOOL-DZGCQCFKSA-N 1 0 369.893 3.360 10 0 FGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000247523435 496880151 /nfs/dbraw/zinc/88/01/51/496880151.db2.gz WXRGKPICEOIHOI-CJNGLKHVSA-N 1 0 352.400 3.432 10 0 FGAERO CN(Cc1cccnc1)C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(F)cc2)C1 ZINC000195298918 496880544 /nfs/dbraw/zinc/88/05/44/496880544.db2.gz PEMBEHBZMJHCQP-GOSISDBHSA-N 1 0 370.472 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FGAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)CCc1cc(Cl)ccc1Br ZINC000193594279 712896699 /nfs/dbraw/zinc/89/66/99/712896699.db2.gz GPEZNYXDZBQGMT-YGRLFVJLSA-N 1 0 359.695 3.292 10 0 FGAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2c(C)nn(Cc3ccccc3)c2Cl)C1 ZINC000194626406 713528862 /nfs/dbraw/zinc/52/88/62/713528862.db2.gz SAAMDBNBDTYYOW-MRXNPFEDSA-N 1 0 360.889 3.107 10 0 FGAERO Cc1ccc2[nH+]ccc(N3CCC[C@H](C(=O)Nc4nncs4)C3)c2c1 ZINC000222979676 713570299 /nfs/dbraw/zinc/57/02/99/713570299.db2.gz JQHHNFDHRSTIDC-ZDUSSCGKSA-N 1 0 353.451 3.250 10 0 FGAERO CCC[C@@H]([NH3+])C(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000236903690 713585679 /nfs/dbraw/zinc/58/56/79/713585679.db2.gz UEXNLVIMUAUHHO-UKRRQHHQSA-N 1 0 372.296 3.440 10 0 FGAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)CCCCOc1ccc(Br)cc1 ZINC000237986354 713599634 /nfs/dbraw/zinc/59/96/34/713599634.db2.gz LYXMJCKENCSGMA-BBRMVZONSA-N 1 0 369.303 3.242 10 0 FGAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)Cc1csc(-c2ccc(Cl)s2)n1 ZINC000238071157 713600698 /nfs/dbraw/zinc/60/06/98/713600698.db2.gz YWIZEMFPKUZXOO-KOLCDFICSA-N 1 0 355.916 3.311 10 0 FGAERO C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc(SC(C)(C)C)cc2)C[C@@H]1C ZINC000245435384 713605269 /nfs/dbraw/zinc/60/52/69/713605269.db2.gz SPPXVFROZWLWAZ-GJZGRUSLSA-N 1 0 365.543 3.496 10 0 FGAERO CCCNC(=O)[C@@H]1CCC[N@H+](C[C@H]2CC(c3ccc(Cl)cc3)=NO2)C1 ZINC000246471550 713624330 /nfs/dbraw/zinc/62/43/30/713624330.db2.gz OLRPJDNHWZJQJD-NVXWUHKLSA-N 1 0 363.889 3.071 10 0 FGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(N(C)C)c(Cl)c1 ZINC000247157499 713636365 /nfs/dbraw/zinc/63/63/65/713636365.db2.gz UQQYBOLVJMUTPZ-CABCVRRESA-N 1 0 350.894 3.497 10 0 FGAERO CN(Cc1cccs1)C(=O)C[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000247528573 713641692 /nfs/dbraw/zinc/64/16/92/713641692.db2.gz NZULGBPKRFWJNE-PKOBYXMFSA-N 1 0 358.507 3.295 10 0 FGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)Nc1ccccc1SC(F)F ZINC000247538344 713641701 /nfs/dbraw/zinc/64/17/01/713641701.db2.gz YDTJVNOMEMJJQI-OLZOCXBDSA-N 1 0 355.454 3.108 10 0 FGAERO Cc1cc(NC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)cnc1Br ZINC000248389168 713648566 /nfs/dbraw/zinc/64/85/66/713648566.db2.gz RUNNRNGFDPXOGM-DGCLKSJQSA-N 1 0 355.280 3.003 10 0 FGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(Br)ncc1Cl ZINC000251904349 713672651 /nfs/dbraw/zinc/67/26/51/713672651.db2.gz SWVZJDSIMVJJFT-MNOVXSKESA-N 1 0 372.694 3.196 10 0 FGAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)c1cccnc1SC(F)(F)F ZINC000261606158 713711500 /nfs/dbraw/zinc/71/15/00/713711500.db2.gz DMTDGSPYQMVGJI-UYVFGJEYSA-N 1 0 359.417 3.329 10 0 FGAERO CC(C)(Cc1ccc(Br)cc1)NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261848595 713715237 /nfs/dbraw/zinc/71/52/37/713715237.db2.gz VPBBTHYGJRFUIA-UKRRQHHQSA-N 1 0 353.304 3.261 10 0 FGAERO Clc1cc(Br)ccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1 ZINC000262029115 713717396 /nfs/dbraw/zinc/71/73/96/713717396.db2.gz XJIFJFLGLWCFCP-BMFZPTHFSA-N 1 0 373.722 3.349 10 0 FGAERO Clc1cc(Br)ccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1 ZINC000262029116 713717474 /nfs/dbraw/zinc/71/74/74/713717474.db2.gz XJIFJFLGLWCFCP-FVQBIDKESA-N 1 0 373.722 3.349 10 0 FGAERO C[C@H](C[NH2+]Cc1cncc(Br)c1)N(C)C(=O)OC(C)(C)C ZINC000309998647 713797618 /nfs/dbraw/zinc/79/76/18/713797618.db2.gz ONLTYGBJMCJGDH-LLVKDONJSA-N 1 0 358.280 3.189 10 0 FGAERO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1 ZINC000310687262 713800359 /nfs/dbraw/zinc/80/03/59/713800359.db2.gz MQLKHPRFSUBLKK-CRWXNKLISA-N 1 0 366.424 3.379 10 0 FGAERO C[C@@H](C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)N1CCCCC1 ZINC000380410388 713976757 /nfs/dbraw/zinc/97/67/57/713976757.db2.gz ZDTXIXWZAZAOOL-OKZBNKHCSA-N 1 0 353.551 3.486 10 0 FGAERO Cc1nc(N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccc1Br ZINC000630527047 716470447 /nfs/dbraw/zinc/47/04/47/716470447.db2.gz GRSMRGWDEPERPU-VHSXEESVSA-N 1 0 352.198 3.116 10 0 FGAERO COC[C@@]1(C(=O)Nc2cc(Cl)c(Br)cc2C)CCC[NH2+]1 ZINC000659341888 719900555 /nfs/dbraw/zinc/90/05/55/719900555.db2.gz CJOYDUDHBWQOTM-CQSZACIVSA-N 1 0 361.667 3.118 10 0 FGAERO OC1(C[NH2+][C@H]2CCOc3ccc(Br)cc32)CCSCC1 ZINC000702277396 722410440 /nfs/dbraw/zinc/41/04/40/722410440.db2.gz IPHYPXSNHHWXEZ-ZDUSSCGKSA-N 1 0 358.301 3.120 10 0 FGAERO C[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000702767952 722410845 /nfs/dbraw/zinc/41/08/45/722410845.db2.gz KTMRMTUROISOJS-UNEWFSDZSA-N 1 0 368.905 3.088 10 0 FGAERO CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](C[NH2+]Cc2ccc(C(C)(C)C)s2)C1 ZINC000702769796 722410874 /nfs/dbraw/zinc/41/08/74/722410874.db2.gz OSZYSWXSDFXYEA-ZFWWWQNUSA-N 1 0 368.543 3.363 10 0 FGAERO CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C[NH2+][C@@H]2CCSc3ccccc32)C1 ZINC000705673207 722411745 /nfs/dbraw/zinc/41/17/45/722411745.db2.gz GGATUMCZLPMRHP-BMFZPTHFSA-N 1 0 364.511 3.041 10 0 FGAERO [NH3+]C[C@@H]1CN(c2ncc(Br)cc2Cl)C[C@H]1C(F)(F)F ZINC000709857467 722413333 /nfs/dbraw/zinc/41/33/33/722413333.db2.gz BXLINYGPSXXTOE-HTRCEHHLSA-N 1 0 358.589 3.071 10 0 FGAERO CC(C)(C)OC(=O)NC1CC(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)C1 ZINC000713460619 722414935 /nfs/dbraw/zinc/41/49/35/722414935.db2.gz XAMHYGGLXZREAK-SWHNLWLKSA-N 1 0 350.503 3.227 10 0 FGAERO CCn1nc(C)c([C@H](C)[NH2+]C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)c1C ZINC000715138063 722415725 /nfs/dbraw/zinc/41/57/25/722415725.db2.gz UBPFQMVBTCEWOK-RCBQFDQVSA-N 1 0 350.507 3.474 10 0 FGAERO COc1ccc(OC)c(C[NH2+]CC2CC(NC(=O)OC(C)(C)C)C2)c1 ZINC000715155173 722415781 /nfs/dbraw/zinc/41/57/81/722415781.db2.gz PXWJGVUJLDMNAV-UHFFFAOYSA-N 1 0 350.459 3.097 10 0 FGAERO C[C@@H]([NH2+]C[C@@H](C)CC1(C)OCCO1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000715968909 722416668 /nfs/dbraw/zinc/41/66/68/722416668.db2.gz WLKAZJZQSXBEIV-XHSDSOJGSA-N 1 0 356.507 3.011 10 0 FGAERO [NH3+]C[C@H]1CN(c2ncc(Cl)cc2Br)C[C@H]1C(F)(F)F ZINC000720793527 722419385 /nfs/dbraw/zinc/41/93/85/722419385.db2.gz JYSCBFAUGXKUFJ-POYBYMJQSA-N 1 0 358.589 3.071 10 0 FGAERO COc1ccccc1C[C@H](C)[NH2+][C@H]1CC[C@H](C(F)(F)F)N(C(C)=O)C1 ZINC000886059746 739213528 /nfs/dbraw/zinc/21/35/28/739213528.db2.gz YZYORDJMXSLESB-YLQAJVPDSA-N 1 0 358.404 3.158 10 0 FGAERO CCOC(=O)COCCOCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000261506975 210220730 /nfs/dbraw/zinc/22/07/30/210220730.db2.gz DDNPVVYLCZWCEN-UHFFFAOYSA-N 1 0 371.477 3.285 10 0 FGAERO CC[NH2+]C[C@H](C)C(=O)Nc1ccc(Br)cc1Br ZINC000061231268 212023202 /nfs/dbraw/zinc/02/32/02/212023202.db2.gz KUPIODKGVRKBMU-QMMMGPOBSA-N 1 0 364.081 3.396 10 0 FGAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1 ZINC000031825599 211537994 /nfs/dbraw/zinc/53/79/94/211537994.db2.gz GPKGTPSNUUHFCB-HNNXBMFYSA-N 1 0 357.454 3.300 10 0 FGAERO COc1c(O)cc2c(c1OC)-c1ccc(SC)c(=O)cc1[C@@H]([NH3+])CC2 ZINC000027638214 211469895 /nfs/dbraw/zinc/46/98/95/211469895.db2.gz YSTRXCPUTQBTQG-ZDUSSCGKSA-N 1 0 359.447 3.105 10 0 in-vitro FGAERO Cc1noc(C)c1CCC(=O)N1CCC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000023340478 211384521 /nfs/dbraw/zinc/38/45/21/211384521.db2.gz GYOPUNZJZGAIMC-IBGZPJMESA-N 1 0 355.482 3.347 10 0 FGAERO CCNC(=O)[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C(F)(F)F)CN1CC(C)C ZINC000020775449 211295059 /nfs/dbraw/zinc/29/50/59/211295059.db2.gz ZPGAUOLRGJMNJA-WBVHZDCISA-N 1 0 371.447 3.030 10 0 FGAERO CC1=C(C(=O)Nc2ccc(C)cc2C)C2(CC[NH+](C(C)C)CC2)OC1=O ZINC000020581682 211288284 /nfs/dbraw/zinc/28/82/84/211288284.db2.gz SLLYYDAJTWPTSM-UHFFFAOYSA-N 1 0 356.466 3.358 10 0 FGAERO CC[C@](O)(c1ccc(OC)cc1)[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020440728 211279170 /nfs/dbraw/zinc/27/91/70/211279170.db2.gz IZGQZUSXMGTWGK-YADHBBJMSA-N 1 0 355.478 3.409 10 0 FGAERO CCCn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([NH2+]Cc1ccccc1)C2 ZINC000014536185 211095542 /nfs/dbraw/zinc/09/55/42/211095542.db2.gz JQTHWJNFDJAMJX-SFHVURJKSA-N 1 0 366.509 3.176 10 0 FGAERO CCC[NH2+]CCCc1nnc(-c2cccc(I)c2)o1 ZINC000050617207 221032525 /nfs/dbraw/zinc/03/25/25/221032525.db2.gz UVVBGWCFXLFIBH-UHFFFAOYSA-N 1 0 371.222 3.273 10 0 FGAERO CC(C)c1ncc(Oc2cccc(I)c2)c(C[NH3+])n1 ZINC000051570559 221035549 /nfs/dbraw/zinc/03/55/49/221035549.db2.gz JKWQMUTVDLBTDB-UHFFFAOYSA-N 1 0 369.206 3.456 10 0 FGAERO CCC1(C(=O)Nc2ccc(I)cc2C)CC[NH2+]CC1 ZINC000062848657 221140134 /nfs/dbraw/zinc/14/01/34/221140134.db2.gz NLKYTMPEXNHZPT-UHFFFAOYSA-N 1 0 372.250 3.318 10 0 FGAERO CC/C=C(\C)C[N@@H+]1CCN(C)C2(CCN(C(=O)c3ccccc3F)CC2)C1 ZINC000067654598 221266045 /nfs/dbraw/zinc/26/60/45/221266045.db2.gz CUAKGJKTFFKAQV-CNHKJKLMSA-N 1 0 373.516 3.404 10 0 FGAERO CCN(CC)C(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1cccc2c3ccccc3oc21 ZINC000067673952 221268642 /nfs/dbraw/zinc/26/86/42/221268642.db2.gz TXYCYXSZCMYCKP-LPHOPBHVSA-N 1 0 365.477 3.356 10 0 FGAERO Cc1ccc(-c2nc(C[NH2+][C@@H](C)Cn3cncn3)[nH]c2-c2ccccn2)cc1 ZINC000067805374 221288784 /nfs/dbraw/zinc/28/87/84/221288784.db2.gz LUJCFBACPOBXCQ-INIZCTEOSA-N 1 0 373.464 3.217 10 0 FGAERO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(C(=O)/C=C/c2cncc(C)c2)C1 ZINC000190541643 257368791 /nfs/dbraw/zinc/36/87/91/257368791.db2.gz RARZQXVIIIDDOM-WRFKIARRSA-N 1 0 370.522 3.149 10 0 FGAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@@](C)(O)c2ccccc2Cl)C12CCOCC2 ZINC000249033916 257371113 /nfs/dbraw/zinc/37/11/13/257371113.db2.gz SYQDWMCSNHSLPK-KZNAEPCWSA-N 1 0 353.890 3.111 10 0 FGAERO Cc1nccn1-c1cncc(N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2)n1 ZINC000302075869 257383700 /nfs/dbraw/zinc/38/37/00/257383700.db2.gz XXBITWUWOWPIRQ-ZDUSSCGKSA-N 1 0 372.835 3.454 10 0 FGAERO CC(C)c1ccc(C(=O)Nc2cc(N)ccc2N2CC[NH+](C)CC2)cc1 ZINC000226258584 132374700 /nfs/dbraw/zinc/37/47/00/132374700.db2.gz HIAJREYSJWDBSE-UHFFFAOYSA-N 1 0 352.482 3.396 10 0 FGAERO [NH3+][C@@H]1c2ccccc2C2(CCN(c3ncccc3C(F)(F)F)CC2)[C@H]1O ZINC000072154658 136143113 /nfs/dbraw/zinc/14/31/13/136143113.db2.gz YJGRRECPNINPED-CVEARBPZSA-N 1 0 363.383 3.013 10 0 FGAERO O=C(Nc1cccnc1)[C@@H]1CCO[C@@H]2CC[N@H+](Cc3cccs3)C[C@@H]21 ZINC000096066390 222010291 /nfs/dbraw/zinc/01/02/91/222010291.db2.gz HJVIZPPTNVRRBD-KZNAEPCWSA-N 1 0 357.479 3.009 10 0 FGAERO CCN1C(=O)C[C@@H](c2ccccc2)C12CC[NH+](CC1CCOCC1)CC2 ZINC000096069705 222011472 /nfs/dbraw/zinc/01/14/72/222011472.db2.gz ROIGYPUKFOLCJW-FQEVSTJZSA-N 1 0 356.510 3.284 10 0 FGAERO O[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1I ZINC000405320836 499571059 /nfs/dbraw/zinc/57/10/59/499571059.db2.gz ZCBKATMMGIUMRN-QWHCGFSZSA-N 1 0 365.642 3.338 10 0 FGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N(C)Cc1cc(Br)ccc1F ZINC000057612372 493778368 /nfs/dbraw/zinc/77/83/68/493778368.db2.gz AFHZOXIAINZUAU-LBPRGKRZSA-N 1 0 374.298 3.460 10 0 FGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)CCCc1nnc(-c2ccccc2)o1 ZINC000068224043 493781513 /nfs/dbraw/zinc/78/15/13/493781513.db2.gz HITYXHXMHFNKAC-QGZVFWFLSA-N 1 0 358.486 3.152 10 0 FGAERO CC[NH+](CC)Cc1ccc(CNC(=O)N[C@H]2COc3ccccc32)cc1 ZINC000058577337 493866783 /nfs/dbraw/zinc/86/67/83/493866783.db2.gz MLIGQSOGLPXXOI-IBGZPJMESA-N 1 0 353.466 3.461 10 0 FGAERO COc1ccc([C@H]2CCC[N@@H+]2C[C@H](O)COCc2ccccc2)cc1OC ZINC000076464932 493898024 /nfs/dbraw/zinc/89/80/24/493898024.db2.gz CKHGFQUXLUZTJV-VQTJNVASSA-N 1 0 371.477 3.418 10 0 FGAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCc1ccc(NC(=O)c2ccco2)cc1 ZINC000031099244 493924614 /nfs/dbraw/zinc/92/46/14/493924614.db2.gz UFRMTORPAZCHEQ-HNNXBMFYSA-N 1 0 372.469 3.061 10 0 FGAERO Cc1[nH]c(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)c(C)c1C(=O)OC(C)C ZINC000031495936 493945905 /nfs/dbraw/zinc/94/59/05/493945905.db2.gz MYGNKZMADBWEQI-QGZVFWFLSA-N 1 0 371.481 3.229 10 0 FGAERO CC[N@@H+]1CCC[C@H](NC(=O)N(Cc2cccc(F)c2)C[C@@H]2CCCO2)C1 ZINC000051711615 493984236 /nfs/dbraw/zinc/98/42/36/493984236.db2.gz KMFHLMZRUTXGPF-OALUTQOASA-N 1 0 363.477 3.001 10 0 FGAERO CCc1ccc([C@@H](C)NC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)cc1 ZINC000051759664 493985552 /nfs/dbraw/zinc/98/55/52/493985552.db2.gz ZZRIIFIMSNHCJF-QGZVFWFLSA-N 1 0 372.557 3.168 10 0 FGAERO CCNC(=O)c1cccc(NC(=O)C[NH2+][C@@H](C)c2cccc(Cl)c2)c1 ZINC000007500279 494025531 /nfs/dbraw/zinc/02/55/31/494025531.db2.gz CWSYQHYVHFXYFT-ZDUSSCGKSA-N 1 0 359.857 3.379 10 0 FGAERO C[NH+](C)C[C@@H](NC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)c1ccccc1 ZINC000052555321 494039424 /nfs/dbraw/zinc/03/94/24/494039424.db2.gz KRWQEXJPUDXFFQ-LEWJYISDSA-N 1 0 368.477 3.277 10 0 FGAERO COc1cccc(C[N@H+](C[C@@H](O)COCc2ccccc2)C2CC2)c1OC ZINC000036031442 494084325 /nfs/dbraw/zinc/08/43/25/494084325.db2.gz JEFOPOFJWOMXEM-HXUWFJFHSA-N 1 0 371.477 3.246 10 0 FGAERO CC(C)C1CCC([NH+]2CCN(C[C@H](O)COCc3ccccc3)CC2)CC1 ZINC000084681069 494091973 /nfs/dbraw/zinc/09/19/73/494091973.db2.gz IIROWSXKMIVKAE-VNXZQDSDSA-N 1 0 374.569 3.397 10 0 FGAERO O[C@H]1CCC[C@H]([NH2+]Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000037165523 494101820 /nfs/dbraw/zinc/10/18/20/494101820.db2.gz XGWMBNMLQALRBP-STQMWFEESA-N 1 0 356.260 3.004 10 0 FGAERO O[C@H]1CCC[C@H]([NH2+]Cc2cc(Br)ccc2OC(F)F)C1 ZINC000037321049 494103399 /nfs/dbraw/zinc/10/33/99/494103399.db2.gz MILNMEBFNVURNA-RYUDHWBXSA-N 1 0 350.203 3.444 10 0 FGAERO Cc1ccc([C@H](C)[NH2+]C[C@H](O)COc2cccc(Br)c2)o1 ZINC000038097814 494111502 /nfs/dbraw/zinc/11/15/02/494111502.db2.gz HJRUPKKCWKTHPA-JSGCOSHPSA-N 1 0 354.244 3.441 10 0 FGAERO C[C@H](NC(=O)N1CC[NH+](CC2CCOCC2)CC1)c1ccc(Cl)s1 ZINC000077554149 494114063 /nfs/dbraw/zinc/11/40/63/494114063.db2.gz YBPWKUSNLOZNLS-ZDUSSCGKSA-N 1 0 371.934 3.216 10 0 FGAERO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)c1ccc(I)cc1 ZINC000085975516 494140562 /nfs/dbraw/zinc/14/05/62/494140562.db2.gz BLPOTMYRPAUNMA-WHOFXGATSA-N 1 0 359.251 3.493 10 0 FGAERO C[C@H]([NH2+][C@@H](C)c1ccc(-c2ccccc2)cc1)C(=O)NC(=O)NC1CC1 ZINC000053780144 494165376 /nfs/dbraw/zinc/16/53/76/494165376.db2.gz NRQLVHZNWVQVAJ-GJZGRUSLSA-N 1 0 351.450 3.381 10 0 FGAERO C[C@@H]([NH2+][C@H](C)c1ccc(-c2ccccc2)cc1)C(=O)NC(=O)NC1CC1 ZINC000053780150 494165947 /nfs/dbraw/zinc/16/59/47/494165947.db2.gz NRQLVHZNWVQVAJ-HUUCEWRRSA-N 1 0 351.450 3.381 10 0 FGAERO COCCN1C(=O)CC[C@@H]2C[N@@H+](Cc3cc4ccccc4s3)CC[C@@H]21 ZINC000012036866 494200111 /nfs/dbraw/zinc/20/01/11/494200111.db2.gz WXFCDVNNTCLZDW-AEFFLSMTSA-N 1 0 358.507 3.361 10 0 FGAERO C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(Cl)c1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000066391732 494326112 /nfs/dbraw/zinc/32/61/12/494326112.db2.gz UITFGAOIALPKOT-WDEREUQCSA-N 1 0 363.820 3.256 10 0 FGAERO CC(C)Oc1ccc(NC(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1Cl ZINC000044206417 494343075 /nfs/dbraw/zinc/34/30/75/494343075.db2.gz ZKSWGSBTXLRCDH-HNNXBMFYSA-N 1 0 369.893 3.096 10 0 FGAERO Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCCN(c3cccnn3)C2)c(C)c1 ZINC000089733174 494350253 /nfs/dbraw/zinc/35/02/53/494350253.db2.gz OSUMBHDQONAOMX-ZWKOTPCHSA-N 1 0 367.497 3.069 10 0 FGAERO C[C@H](NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1Br ZINC000073489979 494376781 /nfs/dbraw/zinc/37/67/81/494376781.db2.gz CJOTZKSLKOZXMA-MJBXVCDLSA-N 1 0 366.303 3.388 10 0 FGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N[C@@H](C)c1nc(C2CCCCC2)no1 ZINC000073722927 494417672 /nfs/dbraw/zinc/41/76/72/494417672.db2.gz FDUNKFGZMUCFPG-HOCLYGCPSA-N 1 0 365.522 3.454 10 0 FGAERO C[C@@H](NC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1Br ZINC000079219551 494420619 /nfs/dbraw/zinc/42/06/19/494420619.db2.gz VWXDYJYFUXYLRT-CHWSQXEVSA-N 1 0 366.303 3.294 10 0 FGAERO CC(C)c1ccc([C@H](C)NC(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)cc1 ZINC000079219324 494420787 /nfs/dbraw/zinc/42/07/87/494420787.db2.gz BOJHHTJEXLBQGF-GHTZIAJQSA-N 1 0 374.573 3.442 10 0 FGAERO CC(C)(CO)CCCNC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000073903047 494445362 /nfs/dbraw/zinc/44/53/62/494445362.db2.gz NYBNVNFMXRHJDY-IBGZPJMESA-N 1 0 361.530 3.139 10 0 FGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000079495263 494465230 /nfs/dbraw/zinc/46/52/30/494465230.db2.gz SSHPGYQCPPRBMF-KRWDZBQOSA-N 1 0 366.937 3.148 10 0 FGAERO CC(C)[C@H](CNC(=O)N[C@H](C)c1cccc(-n2ccnc2)c1)[NH+]1CCCC1 ZINC000074102502 494480894 /nfs/dbraw/zinc/48/08/94/494480894.db2.gz NLBUIIKPFOXELD-XLIONFOSSA-N 1 0 369.513 3.353 10 0 FGAERO C[NH+](C)Cc1cccc(C(=O)N2CCC[C@@H]2C[C@@H](O)c2ccccc2)c1 ZINC000074187796 494494631 /nfs/dbraw/zinc/49/46/31/494494631.db2.gz BBQQRNGXPHCYBM-NHCUHLMSSA-N 1 0 352.478 3.477 10 0 FGAERO CCN1CCC[C@H]([NH2+]Cc2ccc(OCc3ccncc3)c(OC)c2)C1 ZINC000067220049 494495890 /nfs/dbraw/zinc/49/58/90/494495890.db2.gz AFGYQHMTYYQJKW-IBGZPJMESA-N 1 0 355.482 3.243 10 0 FGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N(C)Cc1ccc(Br)cc1 ZINC000046280495 494511845 /nfs/dbraw/zinc/51/18/45/494511845.db2.gz AZGNRNMKEIFEHS-ZDUSSCGKSA-N 1 0 356.308 3.321 10 0 FGAERO O[C@H](COc1cccc(Br)c1)C[N@@H+]1CCc2sccc2C1 ZINC000022549901 494526847 /nfs/dbraw/zinc/52/68/47/494526847.db2.gz VGGJFQANHZYPRM-AWEZNQCLSA-N 1 0 368.296 3.309 10 0 FGAERO CCCN1c2ccc(NC(=O)N3CC[N@@H+]4CCCC[C@@H]4C3)cc2CCC1=O ZINC000091195986 494556114 /nfs/dbraw/zinc/55/61/14/494556114.db2.gz GXTMGAHPBMDQHZ-GOSISDBHSA-N 1 0 370.497 3.078 10 0 FGAERO CC1(C)C[C@H](NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c2ccccc2O1 ZINC000121131503 494610848 /nfs/dbraw/zinc/61/08/48/494610848.db2.gz HOYIXMSPJDNMOD-WMZOPIPTSA-N 1 0 357.498 3.416 10 0 FGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N(C)Cc1nc(C(F)(F)F)cs1 ZINC000074850745 494623593 /nfs/dbraw/zinc/62/35/93/494623593.db2.gz VBMSRBPFBGGOJL-JTQLQIEISA-N 1 0 352.426 3.034 10 0 FGAERO CCN(CC)C(=O)c1ccccc1NC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000121173115 494630751 /nfs/dbraw/zinc/63/07/51/494630751.db2.gz QWMOCGICTIYKRJ-YJBOKZPZSA-N 1 0 360.502 3.019 10 0 FGAERO CCC[C@@H](C(=O)Nc1ccc(Oc2ccccc2C(N)=O)cc1)[NH+](C)C ZINC000091984617 494741788 /nfs/dbraw/zinc/74/17/88/494741788.db2.gz HOTGZKSPPXNEFY-KRWDZBQOSA-N 1 0 355.438 3.247 10 0 FGAERO CCOCC[N@@H+]1CCN(C(=O)Nc2ccc3[nH]c(C)cc3c2)C[C@H]1CC ZINC000131866503 494757529 /nfs/dbraw/zinc/75/75/29/494757529.db2.gz QKARXEXWKJXCMG-GOSISDBHSA-N 1 0 358.486 3.441 10 0 FGAERO CCCOc1c(Cl)cc(C[NH2+][C@H]2CCc3ncnn3C2)cc1OCC ZINC000109072091 494826671 /nfs/dbraw/zinc/82/66/71/494826671.db2.gz MAQHFHCQQJJEAC-AWEZNQCLSA-N 1 0 364.877 3.224 10 0 FGAERO FC(F)(F)COc1ccc(C[NH2+][C@@H]2CCCN(c3cccnn3)C2)cc1 ZINC000109070868 494826976 /nfs/dbraw/zinc/82/69/76/494826976.db2.gz IISQNIFBXPRFNE-OAHLLOKOSA-N 1 0 366.387 3.176 10 0 FGAERO C[NH+](C)CCOc1ccc(CNC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000109088529 494829720 /nfs/dbraw/zinc/82/97/20/494829720.db2.gz IRYKKGGTJJGCIO-ROUUACIJSA-N 1 0 374.431 3.325 10 0 FGAERO CCCn1cc(CN2CCC[N@H+](Cc3cccc(OCC)c3)CC2)cn1 ZINC000121655788 494831379 /nfs/dbraw/zinc/83/13/79/494831379.db2.gz RZZYIRRKJMXDCV-UHFFFAOYSA-N 1 0 356.514 3.400 10 0 FGAERO CC1CC[NH+](CC(=O)N2C[C@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000093242435 494850358 /nfs/dbraw/zinc/85/03/58/494850358.db2.gz VEAQXIXGUAWVPA-IAGOWNOFSA-N 1 0 370.415 3.072 10 0 FGAERO CC(C)[N@H+]1C[C@H](NC(=O)N(C)Cc2ccccc2N2CCCC2)[C@@H](C)C1 ZINC000132295793 494852322 /nfs/dbraw/zinc/85/23/22/494852322.db2.gz VMBMAIDZMOOJID-HKUYNNGSSA-N 1 0 358.530 3.157 10 0 FGAERO CN(Cc1cccnc1)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000109358749 494864112 /nfs/dbraw/zinc/86/41/12/494864112.db2.gz RHIYEBDXQBPPLY-HXUWFJFHSA-N 1 0 352.482 3.278 10 0 FGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)C(=O)Nc1cc(Cl)ccc1Cl ZINC000121808868 494864562 /nfs/dbraw/zinc/86/45/62/494864562.db2.gz MRJVWHVZFDEMFK-GFCCVEGCSA-N 1 0 360.285 3.024 10 0 FGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000121816702 494866802 /nfs/dbraw/zinc/86/68/02/494866802.db2.gz TZKIAOUWINYTFW-AWEZNQCLSA-N 1 0 360.285 3.024 10 0 FGAERO CC(C)[C@@H](CNC(=O)N[C@H](C)c1ccc(Cl)s1)[NH+]1CCN(C)CC1 ZINC000093351841 494875236 /nfs/dbraw/zinc/87/52/36/494875236.db2.gz DUSILCHTAWEBOG-ZIAGYGMSSA-N 1 0 372.966 3.034 10 0 FGAERO CC(C)OC(=O)NCc1ccc(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1 ZINC000117021639 494884562 /nfs/dbraw/zinc/88/45/62/494884562.db2.gz MYKWPFGHLYFKDS-SFHVURJKSA-N 1 0 374.485 3.023 10 0 FGAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCO[C@H](c2ccccc2)C1 ZINC000127124438 494897076 /nfs/dbraw/zinc/89/70/76/494897076.db2.gz CAHRNBDTTXZOIR-ZCNNSNEGSA-N 1 0 359.514 3.326 10 0 FGAERO CC[C@@H]1CN(C(=O)c2ccc(Cl)c3cccnc23)CC[N@@H+]1CCOC ZINC000117307721 494909343 /nfs/dbraw/zinc/90/93/43/494909343.db2.gz UAOQQTFRCQSHDE-CQSZACIVSA-N 1 0 361.873 3.071 10 0 FGAERO COCCCOc1cccc(C[N@@H+]2CCC[C@H](Cn3nc(C)nc3C)C2)c1 ZINC000122034903 494913714 /nfs/dbraw/zinc/91/37/14/494913714.db2.gz FAPBFLQYMZYIKS-FQEVSTJZSA-N 1 0 372.513 3.222 10 0 FGAERO O[C@@H]1CCCC[C@@H]1[NH+]1CCC(Nc2ccc(-c3ccc(F)cc3)nn2)CC1 ZINC000132838391 494931171 /nfs/dbraw/zinc/93/11/71/494931171.db2.gz YPIOQAKTOFIPHO-VQTJNVASSA-N 1 0 370.472 3.463 10 0 FGAERO CCC[C@@H](C(=O)Nc1ccc(C(=O)NCc2ccccc2F)cc1)[NH+](C)C ZINC000094016593 494940132 /nfs/dbraw/zinc/94/01/32/494940132.db2.gz DDXPLOZAHDHXSN-IBGZPJMESA-N 1 0 371.456 3.425 10 0 FGAERO CCC[C@@H](C(=O)Nc1ccc(Sc2nncn2C)c(Cl)c1)[NH+](C)C ZINC000094078538 494946607 /nfs/dbraw/zinc/94/66/07/494946607.db2.gz DHCRHSUCMOAPTQ-ZDUSSCGKSA-N 1 0 367.906 3.289 10 0 FGAERO CCC[C@H](C(=O)Nc1cccc(NC(=O)NCc2ccncc2)c1)[NH+](C)C ZINC000094098751 494947943 /nfs/dbraw/zinc/94/79/43/494947943.db2.gz NHTWZFKLTQKVSB-GOSISDBHSA-N 1 0 369.469 3.072 10 0 FGAERO CCC[C@@H](C(=O)Nc1ccc(C)c(NC(=O)CN2CCCCC2)c1)[NH+](C)C ZINC000122433905 494974945 /nfs/dbraw/zinc/97/49/45/494974945.db2.gz WEHZSXFZNXODNC-IBGZPJMESA-N 1 0 374.529 3.088 10 0 FGAERO CC(C)c1ccccc1OCCNc1cc(N2CCC[C@@H]2CO)ncn1 ZINC000110602234 494993579 /nfs/dbraw/zinc/99/35/79/494993579.db2.gz IARSJJFYMLCLGK-MRXNPFEDSA-N 1 0 356.470 3.052 10 0 FGAERO O=C(N[C@H](Cc1ccccc1)C(F)(F)F)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000122644115 495009380 /nfs/dbraw/zinc/00/93/80/495009380.db2.gz OPZIKWCNWVTCCR-HZPDHXFCSA-N 1 0 355.404 3.040 10 0 FGAERO CCCCOc1ccc(CN2CCO[C@H](C[NH+](C)C)C2)cc1OCC ZINC000128162617 495054543 /nfs/dbraw/zinc/05/45/43/495054543.db2.gz DLHYEKYSWOHFIR-GOSISDBHSA-N 1 0 350.503 3.027 10 0 FGAERO CCC[C@H](C(=O)N1CCO[C@H](c2cccc(Br)c2)C1)[NH+](C)C ZINC000128260155 495069103 /nfs/dbraw/zinc/06/91/03/495069103.db2.gz OMIWKQPNZMQWIT-CVEARBPZSA-N 1 0 369.303 3.079 10 0 FGAERO COC(=O)COc1c(C)cc(C[N@@H+]2CCC[C@@H](n3cc(C)cn3)C2)cc1C ZINC000123108504 495081713 /nfs/dbraw/zinc/08/17/13/495081713.db2.gz ZYUNIUUDWVYUTI-LJQANCHMSA-N 1 0 371.481 3.197 10 0 FGAERO CC(C)COC[C@H](NC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C)c1ccco1 ZINC000119109156 495094643 /nfs/dbraw/zinc/09/46/43/495094643.db2.gz GHAHYFIKDBWBEE-ULQDDVLXSA-N 1 0 351.491 3.021 10 0 FGAERO CCOCC[N@@H+]1CCN(CCOc2cc(Cl)cc(Cl)c2)C[C@@H]1C ZINC000119165518 495108819 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358.461 3.015 10 0 FGAERO CCOC(=O)Nc1ccc(NC(=O)[C@H](Cc2ccccc2)[NH+](C)C)cc1 ZINC000106458663 495457907 /nfs/dbraw/zinc/45/79/07/495457907.db2.gz FYBUHWQZWSRNJO-SFHVURJKSA-N 1 0 355.438 3.366 10 0 FGAERO Cc1nccn1CCCCNC(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000131260963 495513584 /nfs/dbraw/zinc/51/35/84/495513584.db2.gz OWXKYLDLZMLJBG-MRXNPFEDSA-N 1 0 368.403 3.445 10 0 FGAERO CCc1ccc([C@@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccccn2)cc1 ZINC000107387229 495526796 /nfs/dbraw/zinc/52/67/96/495526796.db2.gz NIZOHGCMLRKWRC-QGZVFWFLSA-N 1 0 354.498 3.478 10 0 FGAERO CCCC(=O)N[C@@H]1CCCN([C@@H](C)C(=O)N(Cc2ccccc2)C(C)C)C1 ZINC000170651854 495546905 /nfs/dbraw/zinc/54/69/05/495546905.db2.gz DQSZGCAOJWMBQY-AZUAARDMSA-N 1 0 373.541 3.193 10 0 FGAERO CCN(CC(C)C)C(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000173496640 495558308 /nfs/dbraw/zinc/55/83/08/495558308.db2.gz ZXLVRFSNJSMLKU-HXUWFJFHSA-N 1 0 361.530 3.120 10 0 FGAERO C[C@@H](c1ccsc1)N1CC[NH+](C[C@H](O)COCc2ccccc2)CC1 ZINC000185468847 495589572 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CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cnc(-c2ccc(OC)cc2)s1 ZINC000177024890 495888645 /nfs/dbraw/zinc/88/86/45/495888645.db2.gz FYKRHHNTJSSUIR-OAHLLOKOSA-N 1 0 359.495 3.375 10 0 FGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1csc(Cc2ccccc2F)n1 ZINC000177033983 495892934 /nfs/dbraw/zinc/89/29/34/495892934.db2.gz CYUFYYVXDNJQCR-HNNXBMFYSA-N 1 0 361.486 3.429 10 0 FGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000177043389 495898324 /nfs/dbraw/zinc/89/83/24/495898324.db2.gz APGYQQBPMLAXMC-KRWDZBQOSA-N 1 0 361.873 3.480 10 0 FGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000177043075 495898977 /nfs/dbraw/zinc/89/89/77/495898977.db2.gz ATIJKAUZUPPHFF-LJQANCHMSA-N 1 0 371.525 3.461 10 0 FGAERO COc1cc(C[N@H+](C)C[C@@H](O)COCc2ccc(Cl)cc2)ccc1O ZINC000177052154 495901331 /nfs/dbraw/zinc/90/13/31/495901331.db2.gz PRQXLXSAWIPRTO-QGZVFWFLSA-N 1 0 365.857 3.064 10 0 FGAERO C[C@@H](O)C[N@@H+]1CCN(C(=O)CCCc2ccc(Cl)c(Cl)c2)C[C@@H]1C ZINC000174317156 495907818 /nfs/dbraw/zinc/90/78/18/495907818.db2.gz MWMHMYKEJGIJQQ-UONOGXRCSA-N 1 0 373.324 3.230 10 0 FGAERO CN(C)c1ccc(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c(C(F)(F)F)c1 ZINC000171518329 495909613 /nfs/dbraw/zinc/90/96/13/495909613.db2.gz JENGTDKHOUPCSN-CQSZACIVSA-N 1 0 370.419 3.473 10 0 FGAERO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]2c2c(C)nn(C)c2C)cc1 ZINC000171519040 495909641 /nfs/dbraw/zinc/90/96/41/495909641.db2.gz IDRYOGKBRYGKTK-SFHVURJKSA-N 1 0 356.470 3.211 10 0 FGAERO CCO[C@H]1C[C@@H]([NH2+]Cc2cccnc2OC2CCCC2)C12CCOCC2 ZINC000186242339 495910404 /nfs/dbraw/zinc/91/04/04/495910404.db2.gz NOOGOBLQXRSGLU-MOPGFXCFSA-N 1 0 360.498 3.467 10 0 FGAERO CC[C@H](O)CC[NH2+][C@@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186253053 495915747 /nfs/dbraw/zinc/91/57/47/495915747.db2.gz GQAKUIVGPHIUOH-HOTGVXAUSA-N 1 0 350.260 3.079 10 0 FGAERO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H]2c3cc(C)ccc3C[C@H]2C)c1 ZINC000180231022 495916058 /nfs/dbraw/zinc/91/60/58/495916058.db2.gz UHCLEUFWVWWRCM-SIFCLUCFSA-N 1 0 358.507 3.487 10 0 FGAERO Cc1cc(C[N@H+]2C[C@@H](C)[C@H](N3CCOCC3)C2)ccc1Oc1cccnc1 ZINC000180231883 495916759 /nfs/dbraw/zinc/91/67/59/495916759.db2.gz BQDAUOYISSUPGO-WIYYLYMNSA-N 1 0 367.493 3.335 10 0 FGAERO C[C@H]([NH2+]C[C@](C)(O)c1ccc(S(C)(=O)=O)cc1)c1cccc(Cl)c1 ZINC000180234391 495918514 /nfs/dbraw/zinc/91/85/14/495918514.db2.gz KJNSKDWXQRBGHG-UGSOOPFHSA-N 1 0 367.898 3.302 10 0 FGAERO Cc1cc(C(=O)N2CC[C@@H]([NH+](C)C)C2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000180253903 495926864 /nfs/dbraw/zinc/92/68/64/495926864.db2.gz CQTUXHHVFHDOFK-CYBMUJFWSA-N 1 0 367.280 3.264 10 0 FGAERO CCO[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)c(OC)c(OC)c2)C12CCOCC2 ZINC000186309931 495941902 /nfs/dbraw/zinc/94/19/02/495941902.db2.gz WEWDIMFBOKPMBQ-SJORKVTESA-N 1 0 369.889 3.421 10 0 FGAERO CCO[C@H]1C[C@@H]([NH2+]CCCOCc2ccc(OC)cc2)C12CCOCC2 ZINC000186312118 495942882 /nfs/dbraw/zinc/94/28/82/495942882.db2.gz BUGDOYSDRLAVQP-UXHICEINSA-N 1 0 363.498 3.166 10 0 FGAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCOc2c(Cl)cccc21 ZINC000171613076 495947858 /nfs/dbraw/zinc/94/78/58/495947858.db2.gz CJBHUSOTAZODIE-ROUUACIJSA-N 1 0 358.869 3.453 10 0 FGAERO Cc1cc(Br)ccc1C[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000151826020 495960275 /nfs/dbraw/zinc/96/02/75/495960275.db2.gz WNFFCQGKUOLSHJ-MRXNPFEDSA-N 1 0 361.287 3.306 10 0 FGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1sccc1Br ZINC000174445820 495963323 /nfs/dbraw/zinc/96/33/23/495963323.db2.gz UDNSAQQDFASPHD-VXGBXAGGSA-N 1 0 372.332 3.279 10 0 FGAERO CC(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000171645037 495964433 /nfs/dbraw/zinc/96/44/33/495964433.db2.gz DPMVLGIRMQVYKT-HXUWFJFHSA-N 1 0 366.509 3.253 10 0 FGAERO Cc1cccc(NC[C@@H]2CCN([C@@H](C)C(=O)Nc3cc(F)ccc3F)C2)[nH+]1 ZINC000171650911 495969970 /nfs/dbraw/zinc/96/99/70/495969970.db2.gz JBSALAGBDHRRTP-GJZGRUSLSA-N 1 0 374.435 3.429 10 0 FGAERO Cc1cccc(NC[C@@H]2CCN(Cc3nc(-c4ccsc4)no3)C2)[nH+]1 ZINC000171651176 495970639 /nfs/dbraw/zinc/97/06/39/495970639.db2.gz AZSMRTHNJHYQPR-AWEZNQCLSA-N 1 0 355.467 3.436 10 0 FGAERO Brc1cccc2c1CC[C@H]2[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000151907185 495988562 /nfs/dbraw/zinc/98/85/62/495988562.db2.gz HOKRFLXSYGBZPK-SUMWQHHRSA-N 1 0 373.298 3.485 10 0 FGAERO CCO[C@@H]1C[C@@H]([NH2+]CCOc2ccc(C(F)(F)F)cn2)C12CCOCC2 ZINC000186420256 495992557 /nfs/dbraw/zinc/99/25/57/495992557.db2.gz YZFYTAUINJFMKX-HUUCEWRRSA-N 1 0 374.403 3.043 10 0 FGAERO CCO[C@H]1C[C@@H]([NH2+]CCOc2ncccc2C(F)(F)F)C12CCOCC2 ZINC000186426751 495993180 /nfs/dbraw/zinc/99/31/80/495993180.db2.gz JPOKDAMZNHBNSS-CABCVRRESA-N 1 0 374.403 3.043 10 0 FGAERO C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000177251307 495994708 /nfs/dbraw/zinc/99/47/08/495994708.db2.gz VUGZDQYFLZUMQE-KEYYUXOJSA-N 1 0 358.404 3.299 10 0 FGAERO CCO[C@H]1C[C@@H]([NH2+]Cc2cccc(OCCCOC)c2)C12CCOCC2 ZINC000186428782 495994871 /nfs/dbraw/zinc/99/48/71/495994871.db2.gz NQSDOLQPXOJXGX-UXHICEINSA-N 1 0 363.498 3.166 10 0 FGAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(OC(F)F)cc(OC(F)F)c2)C1 ZINC000180445902 495998462 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FGAERO Cc1ccc(-c2nn(CN3C[C@@H]4CCC[N@H+]4C[C@H]3C)c(=S)n2C)cc1 ZINC000247163105 713636547 /nfs/dbraw/zinc/63/65/47/713636547.db2.gz STYRODPFNCFROB-WBVHZDCISA-N 1 0 357.527 3.053 10 0 FGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cn1nc(Cc2cccc(F)c2)oc1=S ZINC000247220009 713637164 /nfs/dbraw/zinc/63/71/64/713637164.db2.gz XOMGLXZVKBFWKW-BBRMVZONSA-N 1 0 362.474 3.061 10 0 FGAERO C[NH2+][C@H](C)CNC(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2 ZINC000261736757 713713483 /nfs/dbraw/zinc/71/34/83/713713483.db2.gz MDDICUCJEKIBQW-CYBMUJFWSA-N 1 0 360.889 3.132 10 0 FGAERO C[NH2+][C@H](C)CNS(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1 ZINC000261752139 713713841 /nfs/dbraw/zinc/71/38/41/713713841.db2.gz NLAFZACVNNCJLO-GFCCVEGCSA-N 1 0 354.859 3.019 10 0 FGAERO C[C@H](NC(=O)C1(n2cccn2)CC[NH2+]CC1)c1cc(Cl)ccc1Cl ZINC000261841435 713715181 /nfs/dbraw/zinc/71/51/81/713715181.db2.gz AJUPMQJNAAFTOR-LBPRGKRZSA-N 1 0 367.280 3.146 10 0 FGAERO CC(C)[C@H](Cn1cccn1)[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)[C@H]1C ZINC000302513653 713783338 /nfs/dbraw/zinc/78/33/38/713783338.db2.gz ZLWMTRRVYWJMAN-ULQDDVLXSA-N 1 0 350.507 3.285 10 0 FGAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000312259962 713802324 /nfs/dbraw/zinc/80/23/24/713802324.db2.gz GXHJBNQHQJZUOD-WRWORJQWSA-N 1 0 351.166 3.030 10 0 FGAERO CN(C(=O)c1ccc(Br)cc1Cl)[C@H](C[NH3+])C(F)(F)F ZINC000662977746 720468349 /nfs/dbraw/zinc/46/83/49/720468349.db2.gz CQBNGEIHUQSRPY-SECBINFHSA-N 1 0 359.573 3.064 10 0 FGAERO CC[C@H]([NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)c1ccccc1F ZINC000702851558 722411013 /nfs/dbraw/zinc/41/10/13/722411013.db2.gz NRQMKUMRGCPGIB-XOKHGSTOSA-N 1 0 352.450 3.094 10 0 FGAERO Cc1ccc(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)cc1I ZINC000070575050 210063362 /nfs/dbraw/zinc/06/33/62/210063362.db2.gz ABEKKSKMKCSQHU-QWRGUYRKSA-N 1 0 358.223 3.056 10 0 FGAERO C[C@H](CC(N)=O)C[C@H]([NH3+])c1cc(Br)ccc1Br ZINC000061829599 212026085 /nfs/dbraw/zinc/02/60/85/212026085.db2.gz QDTQNGSHNNZBMG-CPCISQLKSA-N 1 0 364.081 3.113 10 0 FGAERO C[NH2+]CCc1cc2c(cc1-c1cc3ccc4c(c3cn1)OCO4)OCO2 ZINC000013408620 220067459 /nfs/dbraw/zinc/06/74/59/220067459.db2.gz VWHAIQHZMVRBJN-UHFFFAOYSA-N 1 0 350.374 3.121 10 0 biogenic,in-vitro FGAERO C[C@@H]([NH3+])[C@H](c1ccc(Br)cc1)n1cc(Br)cn1 ZINC000042956085 211784662 /nfs/dbraw/zinc/78/46/62/211784662.db2.gz AIVMGSQSTWWOOH-PRHODGIISA-N 1 0 359.065 3.345 10 0 FGAERO COc1ccc(-c2nc(NC3CC[NH2+]CC3)cc(-c3ccccn3)n2)cc1 ZINC000073662927 211688842 /nfs/dbraw/zinc/68/88/42/211688842.db2.gz ZNBMLBSWKDLDFX-UHFFFAOYSA-N 1 0 361.449 3.378 10 0 FGAERO C[NH+]1CCC(Nc2ccc(-c3nc(COc4ccccc4)no3)cn2)CC1 ZINC000012208002 211399063 /nfs/dbraw/zinc/39/90/63/211399063.db2.gz GEKRBVORRYOUIZ-UHFFFAOYSA-N 1 0 365.437 3.217 10 0 FGAERO c1[nH]c2ccccc2c1C[NH2+]C1(Cc2cc(-c3ccccn3)on2)COC1 ZINC000067898258 211279402 /nfs/dbraw/zinc/27/94/02/211279402.db2.gz NEZJMUVCIBALTH-UHFFFAOYSA-N 1 0 360.417 3.319 10 0 FGAERO Cc1cccc(C[N@@H+]2CCC[C@@H](n3cc(C(=O)NC4CCCC4)nn3)C2)c1 ZINC000014990334 211111002 /nfs/dbraw/zinc/11/10/02/211111002.db2.gz LIQJCEBYZPQCAL-LJQANCHMSA-N 1 0 367.497 3.096 10 0 FGAERO CC(C)Cn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([NH2+]Cc1ccco1)C2 ZINC000014755362 211100653 /nfs/dbraw/zinc/10/06/53/211100653.db2.gz IEGUFUWEEIJNIU-INIZCTEOSA-N 1 0 370.497 3.015 10 0 FGAERO CCNC(=O)c1nn(Cc2ccccc2)c2c1C[C@H]([N@H+](C)CC(C)C)CC2 ZINC000014746632 211100270 /nfs/dbraw/zinc/10/02/70/211100270.db2.gz RBHFUILTBVBKMN-GOSISDBHSA-N 1 0 368.525 3.126 10 0 FGAERO CC(C)[NH+]1CCC2(CC1)C(=O)N(Cc1ccc3ccccc3c1)C(=O)N2C ZINC000014752039 211100156 /nfs/dbraw/zinc/10/01/56/211100156.db2.gz WKZVNBGKXAGALP-UHFFFAOYSA-N 1 0 365.477 3.477 10 0 FGAERO CN(C(=O)Cc1csc2nc(-c3ccccc3)cn12)C1CC[NH+](C)CC1 ZINC000005146589 210603176 /nfs/dbraw/zinc/60/31/76/210603176.db2.gz LZSMOCAEULFIGX-UHFFFAOYSA-N 1 0 368.506 3.158 10 0 FGAERO COc1ccc([C@@H]([NH3+])c2ccc3c(c2)OCCO3)cc1Br ZINC000020521991 220331172 /nfs/dbraw/zinc/33/11/72/220331172.db2.gz DPNXGAFZHONQFQ-MRXNPFEDSA-N 1 0 350.212 3.277 10 0 FGAERO Cc1ccc2cc(C(=O)N3CC[C@@H](C[N@@H+](C)Cc4cccnc4)C3)[nH]c2c1 ZINC000190584021 257369141 /nfs/dbraw/zinc/36/91/41/257369141.db2.gz FBBKLUDTTFXMQD-SFHVURJKSA-N 1 0 362.477 3.465 10 0 FGAERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)C12CCOCC2 ZINC000249048114 257370990 /nfs/dbraw/zinc/37/09/90/257370990.db2.gz WINAGOFVJUFCHZ-AYOQOUSVSA-N 1 0 374.481 3.268 10 0 FGAERO Cc1nccn1-c1ccc([C@H](C)[N@@H+]2CCC[C@]3(CCS(=O)(=O)C3)C2)cc1 ZINC000333380777 257386536 /nfs/dbraw/zinc/38/65/36/257386536.db2.gz BDJLEPQCDWJFSZ-JXFKEZNVSA-N 1 0 373.522 3.142 10 0 FGAERO Cc1ccc2[nH+]ccc(N3CCC[C@@]4(CCC(=O)N(CCCO)C4)C3)c2c1 ZINC000077298776 132180018 /nfs/dbraw/zinc/18/00/18/132180018.db2.gz FDDWKNWDCFWVNV-JOCHJYFZSA-N 1 0 367.493 3.135 10 0 FGAERO Cc1nn(-c2ccc(Cl)cc2)cc1-c1ccnc(N2CC[NH+](C)CC2)n1 ZINC000072462009 136148695 /nfs/dbraw/zinc/14/86/95/136148695.db2.gz DMSLNSVIKSSDSF-UHFFFAOYSA-N 1 0 368.872 3.043 10 0 FGAERO Cn1cc(C[N@@H+]2CCC(F)(F)[C@@]3(CCN(c4cccc(F)c4)C3)C2)cn1 ZINC000096078093 222013556 /nfs/dbraw/zinc/01/35/56/222013556.db2.gz LCQJZKYCWLXZIR-SFHVURJKSA-N 1 0 364.415 3.297 10 0 FGAERO C[C@H](COc1ccc(F)c(F)c1)[NH2+]C[C@@H](O)Cc1ccc(F)cc1F ZINC000097138198 222162781 /nfs/dbraw/zinc/16/27/81/222162781.db2.gz SGHSTHABDDCBLQ-RISCZKNCSA-N 1 0 357.347 3.204 10 0 FGAERO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000106185537 222383463 /nfs/dbraw/zinc/38/34/63/222383463.db2.gz HRUCFSHWIHXWLA-SNVBAGLBSA-N 1 0 372.840 3.367 10 0 FGAERO C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)cc1 ZINC000048108918 493787194 /nfs/dbraw/zinc/78/71/94/493787194.db2.gz ADFQUNRWURDDKP-XPGWFJOJSA-N 1 0 365.477 3.314 10 0 FGAERO COc1ccc(OC)c([C@@H](C)NC(=O)N[C@H](C[NH+](C)C)c2ccccc2)c1 ZINC000048153098 493793908 /nfs/dbraw/zinc/79/39/08/493793908.db2.gz MYSZOSCABSGIKA-DNVCBOLYSA-N 1 0 371.481 3.367 10 0 FGAERO CSc1ccc(Cl)cc1NC(=O)C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000068330812 493799160 /nfs/dbraw/zinc/79/91/60/493799160.db2.gz WEBBDLOLXUYDSX-CYBMUJFWSA-N 1 0 371.934 3.093 10 0 FGAERO C[C@@H]([NH2+]CC(=O)Nc1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)cc1 ZINC000028966250 493809320 /nfs/dbraw/zinc/80/93/20/493809320.db2.gz MJYWLOQRAKYIOC-GFCCVEGCSA-N 1 0 366.870 3.033 10 0 FGAERO COc1ccc([C@@H]2CCC[N@@H+]2C[C@H](O)COCc2ccccc2)c(OC)c1 ZINC000057948777 493817404 /nfs/dbraw/zinc/81/74/04/493817404.db2.gz IMIYTTHCGAQPMA-RXVVDRJESA-N 1 0 371.477 3.418 10 0 FGAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc(C(=O)NC3CCCC3)cc2C)C1 ZINC000068490319 493829736 /nfs/dbraw/zinc/82/97/36/493829736.db2.gz ZKYKVUXLNCMFJG-GOSISDBHSA-N 1 0 372.513 3.273 10 0 FGAERO CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N1CC[C@H](C[NH+](CC)CC)C1 ZINC000081329793 493871858 /nfs/dbraw/zinc/87/18/58/493871858.db2.gz GUXUYVSQTMTWOF-NSHGMRRFSA-N 1 0 373.541 3.021 10 0 FGAERO CCOC[C@@H]1CCN(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000081489208 493902199 /nfs/dbraw/zinc/90/21/99/493902199.db2.gz MGFAKUOXPDWHJN-UXHICEINSA-N 1 0 359.514 3.109 10 0 FGAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000076513600 493912129 /nfs/dbraw/zinc/91/21/29/493912129.db2.gz RHASSMOBBHNUNW-FPOVZHCZSA-N 1 0 354.469 3.390 10 0 FGAERO Brc1cccc(Br)c1N(CC1CC1)C1=[NH+]CCN1 ZINC000005161666 493916656 /nfs/dbraw/zinc/91/66/56/493916656.db2.gz ZRUVYWZNRHMCBG-UHFFFAOYSA-N 1 0 373.092 3.387 10 0 FGAERO CC[NH+](CC)CCOc1ccc(NC(=O)N[C@@H]2CCCC[C@H]2CO)cc1 ZINC000081628407 493932040 /nfs/dbraw/zinc/93/20/40/493932040.db2.gz VAVCXKJVRLFUHT-QFBILLFUSA-N 1 0 363.502 3.080 10 0 FGAERO CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000069179725 493933374 /nfs/dbraw/zinc/93/33/74/493933374.db2.gz ZFPVEQJRLVJBNO-HKUYNNGSSA-N 1 0 373.541 3.212 10 0 FGAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1cccc(NC(=O)c2cccs2)c1 ZINC000031825453 493963717 /nfs/dbraw/zinc/96/37/17/493963717.db2.gz BSNPAHQBYYBHIW-AWEZNQCLSA-N 1 0 359.495 3.461 10 0 FGAERO C[NH+](C)C[C@H](NC(=O)CSc1nc2ccccc2o1)c1ccccc1 ZINC000052555727 494039484 /nfs/dbraw/zinc/03/94/84/494039484.db2.gz ZRWAFXVNQUVTFC-INIZCTEOSA-N 1 0 355.463 3.339 10 0 FGAERO CC(C)CC(=O)N[C@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)C(C)C ZINC000052590917 494043523 /nfs/dbraw/zinc/04/35/23/494043523.db2.gz PUVHSSQMYWBIDZ-NRFANRHFSA-N 1 0 373.541 3.086 10 0 FGAERO CC[N@@H+]1CCC[C@@H](NC(=O)N(C)CCCc2cc(-c3ccccc3)n[nH]2)C1 ZINC000052592330 494043813 /nfs/dbraw/zinc/04/38/13/494043813.db2.gz LHBDXEHSYKCYEV-LJQANCHMSA-N 1 0 369.513 3.135 10 0 FGAERO Cc1ccc(CNC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)cc1 ZINC000052658495 494051517 /nfs/dbraw/zinc/05/15/17/494051517.db2.gz FKKMJEQJNJXCIT-JKSUJKDBSA-N 1 0 354.450 3.122 10 0 FGAERO COc1ccc([C@H]([NH3+])c2ccc(I)cc2)c(OC)c1 ZINC000034957800 494071810 /nfs/dbraw/zinc/07/18/10/494071810.db2.gz YNOVTFDHPCUSGK-OAHLLOKOSA-N 1 0 369.202 3.357 10 0 FGAERO COc1cc(C[NH2+]C[C@H]2CCCC[C@H]2O)ccc1OCc1ccncc1 ZINC000077466153 494088089 /nfs/dbraw/zinc/08/80/89/494088089.db2.gz UZLGOGLGBSMQBF-RTBURBONSA-N 1 0 356.466 3.310 10 0 FGAERO O[C@H](COCc1ccccc1)C[N@@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000084962271 494108242 /nfs/dbraw/zinc/10/82/42/494108242.db2.gz ICFHHHFTSDNZBU-FCHUYYIVSA-N 1 0 373.468 3.384 10 0 FGAERO Cc1ccccc1-c1cc(N2CC[NH+](C)CC2)ncc1C(=O)NC(C)(C)C ZINC000038208903 494112383 /nfs/dbraw/zinc/11/23/83/494112383.db2.gz YHLMFPXIBLVCHL-UHFFFAOYSA-N 1 0 366.509 3.337 10 0 FGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N[C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000086364658 494150770 /nfs/dbraw/zinc/15/07/70/494150770.db2.gz AUIRJYFMVOXOJL-JKSUJKDBSA-N 1 0 357.502 3.271 10 0 FGAERO COC(=O)C1CCN(C(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(C(C)C)cc2)CC1 ZINC000073619571 494401325 /nfs/dbraw/zinc/40/13/25/494401325.db2.gz NURSPSHBLDWWQM-HZPDHXFCSA-N 1 0 360.498 3.261 10 0 FGAERO COc1cc(C)c([C@@H](C)NC(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc1OC ZINC000079346947 494439302 /nfs/dbraw/zinc/43/93/02/494439302.db2.gz IBDJTBRCWUUAEP-CVEARBPZSA-N 1 0 365.518 3.349 10 0 FGAERO C[C@H](CNC(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1)[NH+]1CCC(C)CC1 ZINC000073897949 494444245 /nfs/dbraw/zinc/44/42/45/494444245.db2.gz RLQXHCNXUDOVJU-MSOLQXFVSA-N 1 0 369.513 3.353 10 0 FGAERO C[C@@H](NC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)c1ccc(Cl)s1 ZINC000091172855 494548981 /nfs/dbraw/zinc/54/89/81/494548981.db2.gz GXOYLOSNCZYTFI-CHWSQXEVSA-N 1 0 359.923 3.215 10 0 FGAERO COc1cc(F)c([C@H](C)NC(=O)[C@H](Cc2ccccc2)[NH+](C)C)cc1OC ZINC000074611637 494566448 /nfs/dbraw/zinc/56/64/48/494566448.db2.gz ZVOLLAAQBTXAOU-KSSFIOAISA-N 1 0 374.456 3.193 10 0 FGAERO COc1cc(F)c([C@H](C)NC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)cc1OC ZINC000074611632 494566544 /nfs/dbraw/zinc/56/65/44/494566544.db2.gz ZVOLLAAQBTXAOU-KBXCAEBGSA-N 1 0 374.456 3.193 10 0 FGAERO C[NH+](C)[C@@H]1CCN(C(=O)NCC(C)(C)c2ccccc2Br)C1 ZINC000131370814 494597060 /nfs/dbraw/zinc/59/70/60/494597060.db2.gz CNLTZUISVMIXKA-CYBMUJFWSA-N 1 0 368.319 3.072 10 0 FGAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)N[C@H]3CC(C)(C)Oc4ccccc43)CC[C@@H]21 ZINC000121154867 494620607 /nfs/dbraw/zinc/62/06/07/494620607.db2.gz QLEFBIIOAABGDM-NJAFHUGGSA-N 1 0 357.498 3.415 10 0 FGAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](Cc2ccc(C)cc2)c2ccccn2)C1 ZINC000115806978 494627602 /nfs/dbraw/zinc/62/76/02/494627602.db2.gz MZECVORXHRVICH-FPOVZHCZSA-N 1 0 366.509 3.457 10 0 FGAERO O=C(NCc1csc(-c2ccccc2)n1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000115830977 494635499 /nfs/dbraw/zinc/63/54/99/494635499.db2.gz SUVQPXGZEFCHDZ-KRWDZBQOSA-N 1 0 356.495 3.190 10 0 FGAERO C[C@H](NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(Br)cc1F ZINC000126141813 494651154 /nfs/dbraw/zinc/65/11/54/494651154.db2.gz LZWDRZFWQNMAPN-GXTWGEPZSA-N 1 0 359.283 3.086 10 0 FGAERO CCc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2S(C)(=O)=O)cc1 ZINC000126267029 494690605 /nfs/dbraw/zinc/69/06/05/494690605.db2.gz JYZISQGMWJHGCF-CABCVRRESA-N 1 0 374.506 3.330 10 0 FGAERO Cc1cc([C@@H]2CN(C(=O)N[C@H](CC(C)C)C[NH+](C)C)CCO2)ccc1F ZINC000131708755 494705608 /nfs/dbraw/zinc/70/56/08/494705608.db2.gz AJQROSJNAPLQCF-MJGOQNOKSA-N 1 0 365.493 3.193 10 0 FGAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2nnc(Cc3ccc(C)cc3)s2)C1 ZINC000108534985 494731905 /nfs/dbraw/zinc/73/19/05/494731905.db2.gz LHUTXDDNMZQNNU-HNNXBMFYSA-N 1 0 359.499 3.043 10 0 FGAERO COc1ccc(Br)cc1C[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000116318339 494759915 /nfs/dbraw/zinc/75/99/15/494759915.db2.gz UKVSLMWPGZGYFC-GFCCVEGCSA-N 1 0 350.260 3.181 10 0 FGAERO C[C@H](NC(=O)NCCCC[NH+]1CCOCC1)c1ccc2ccccc2c1 ZINC000047912483 494792480 /nfs/dbraw/zinc/79/24/80/494792480.db2.gz GLSOTNGUJJADNS-KRWDZBQOSA-N 1 0 355.482 3.312 10 0 FGAERO C[C@H](O)C1CC[NH+](Cc2cc(Cl)ccc2OC[C@H]2CCCO2)CC1 ZINC000092969317 494797887 /nfs/dbraw/zinc/79/78/87/494797887.db2.gz UWNGWPAEMSVSGO-KBXCAEBGSA-N 1 0 353.890 3.491 10 0 FGAERO Cc1nc2sc3c(c2c(N2CCO[C@@H](C[NH+](C)C)C2)n1)CCCCC3 ZINC000108951971 494810281 /nfs/dbraw/zinc/81/02/81/494810281.db2.gz ICJITTHIHNTPLR-AWEZNQCLSA-N 1 0 360.527 3.035 10 0 FGAERO Cn1cc(CN2CCC[N@H+](Cc3cccc(OC(F)(F)F)c3)CC2)cn1 ZINC000121592093 494813628 /nfs/dbraw/zinc/81/36/28/494813628.db2.gz AOOQJEDFKPLVMA-UHFFFAOYSA-N 1 0 368.403 3.027 10 0 FGAERO COc1cc(CN(C)C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)ccc1SC ZINC000132153247 494829934 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CC[NH+](CC)[C@@H](C)CNC(=O)Nc1ccc(CN(C(C)=O)C(C)C)cc1 ZINC000117009656 494883301 /nfs/dbraw/zinc/88/33/01/494883301.db2.gz ROSVHXOYGHYIGW-INIZCTEOSA-N 1 0 362.518 3.295 10 0 FGAERO C[C@@H](CNC(=O)N1CCO[C@H](C[NH+](C)C)C1)c1c(Cl)cccc1Cl ZINC000117043177 494886622 /nfs/dbraw/zinc/88/66/22/494886622.db2.gz NWOUDQGIOWDZFU-QWHCGFSZSA-N 1 0 374.312 3.069 10 0 FGAERO C[NH+](C)C[C@H]1CN(C(=O)N[C@@H](Cc2ccccc2)c2cccs2)CCO1 ZINC000117055222 494888690 /nfs/dbraw/zinc/88/86/90/494888690.db2.gz JLJKMEWKCLWVRA-ROUUACIJSA-N 1 0 373.522 3.004 10 0 FGAERO CCCC[C@@H](CC)CC(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1 ZINC000117260866 494906126 /nfs/dbraw/zinc/90/61/26/494906126.db2.gz PQBJOLHFVWOFJM-GOSISDBHSA-N 1 0 360.546 3.398 10 0 FGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cnn(CC(C)C)c1C(F)F ZINC000127324521 494928324 /nfs/dbraw/zinc/92/83/24/494928324.db2.gz DTRWWUDUMZKYAU-UONOGXRCSA-N 1 0 354.445 3.176 10 0 FGAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000127357404 494932899 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3.408 10 0 FGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(F)c(Br)c1)CC2 ZINC000180626060 496074936 /nfs/dbraw/zinc/07/49/36/496074936.db2.gz MEBZSGVECGCHEY-ZYHUDNBSSA-N 1 0 367.266 3.408 10 0 FGAERO COc1cccc(NC(=O)C[NH2+][C@H](C)c2cccc(-n3ccnc3)c2)c1 ZINC000180656811 496089891 /nfs/dbraw/zinc/08/98/91/496089891.db2.gz XCTXMFVIVBHYCK-OAHLLOKOSA-N 1 0 350.422 3.170 10 0 FGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1nc(C(C)(C)C)cs1 ZINC000174759410 496094117 /nfs/dbraw/zinc/09/41/17/496094117.db2.gz UOKFIAZYUBPVOJ-ZIAGYGMSSA-N 1 0 350.532 3.209 10 0 FGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(NC(=O)C2CC2)c1 ZINC000177520769 496095986 /nfs/dbraw/zinc/09/59/86/496095986.db2.gz BHGQVVAPYOTESI-ZWKOTPCHSA-N 1 0 356.470 3.126 10 0 FGAERO CC[NH+](CC)[C@@H](CNC(=O)N1CCC(c2ccnn2C)CC1)CC(C)C ZINC000155919166 496107083 /nfs/dbraw/zinc/10/70/83/496107083.db2.gz PDGWUXOUPUZKOJ-GOSISDBHSA-N 1 0 363.550 3.066 10 0 FGAERO O=C(Nc1cc(F)ccc1-n1cccn1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000155944951 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372.465 3.240 10 0 FGAERO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccnn2C2CCCC2)cc1OC ZINC000180887204 496187255 /nfs/dbraw/zinc/18/72/55/496187255.db2.gz YDEBIMZPVRMVNS-AWEZNQCLSA-N 1 0 372.469 3.305 10 0 FGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1coc(-c2ccc(F)cc2)n1 ZINC000174983264 496194147 /nfs/dbraw/zinc/19/41/47/496194147.db2.gz WKLHREZPHHIKEE-QZTJIDSGSA-N 1 0 357.429 3.108 10 0 FGAERO O=C(c1cccc(COc2cccc(F)c2)c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000172173249 496194608 /nfs/dbraw/zinc/19/46/08/496194608.db2.gz RDKDHLZVRDVVJT-LJQANCHMSA-N 1 0 354.425 3.325 10 0 FGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cnn(-c2ccccc2C)c1C ZINC000175042905 496223417 /nfs/dbraw/zinc/22/34/17/496223417.db2.gz BREUFMOZWFFGSK-ZWKOTPCHSA-N 1 0 352.482 3.188 10 0 FGAERO CCC[C@H](C(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1)[NH+](C)C ZINC000161776011 496236302 /nfs/dbraw/zinc/23/63/02/496236302.db2.gz XTYOBPVKNCIVJD-HZPDHXFCSA-N 1 0 369.303 3.079 10 0 FGAERO CN(C)c1nc2ccc(NC(=O)N3CC[C@@H](C[NH+]4CCCCC4)C3)cc2o1 ZINC000156424941 496242710 /nfs/dbraw/zinc/24/27/10/496242710.db2.gz FBTZGWXIEQJPDO-HNNXBMFYSA-N 1 0 371.485 3.234 10 0 FGAERO CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+]C2c3ccccc3CCc3ccccc32)O1 ZINC000181059409 496255913 /nfs/dbraw/zinc/25/59/13/496255913.db2.gz XZCCLXVAJYYDSC-RXVVDRJESA-N 1 0 364.489 3.100 10 0 FGAERO CN(C)C(=O)[C@H]1CC[C@H](C[NH2+]C2c3ccccc3CCc3ccccc32)O1 ZINC000181059386 496256225 /nfs/dbraw/zinc/25/62/25/496256225.db2.gz XZCCLXVAJYYDSC-WIYYLYMNSA-N 1 0 364.489 3.100 10 0 FGAERO CCC[C@@H](C(=O)N1CCC[C@H](CNC(=O)Nc2ccc(C)cc2)C1)[NH+](C)C ZINC000161946340 496267510 /nfs/dbraw/zinc/26/75/10/496267510.db2.gz MEHTWAQUASZNTM-MJGOQNOKSA-N 1 0 374.529 3.085 10 0 FGAERO Cc1nc([C@@H]2CCCN2C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)cs1 ZINC000187076177 496282309 /nfs/dbraw/zinc/28/23/09/496282309.db2.gz ALLTWJUGFODNPD-PBHICJAKSA-N 1 0 350.532 3.418 10 0 FGAERO CCC[C@@H](C(=O)Nc1nc(-c2cc(OC)ccc2OC)cs1)[NH+](C)C ZINC000156814811 496338987 /nfs/dbraw/zinc/33/89/87/496338987.db2.gz XZGTZSUWFCOXCL-HNNXBMFYSA-N 1 0 363.483 3.496 10 0 FGAERO CC(C)Oc1ccccc1NC(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000175334361 496344592 /nfs/dbraw/zinc/34/45/92/496344592.db2.gz IGJJNAMHBAYHHX-MRXNPFEDSA-N 1 0 363.502 3.030 10 0 FGAERO Cn1cc(CN2CCC[N@H+](CCCCCOc3ccccc3)CC2)cn1 ZINC000187231373 496351129 /nfs/dbraw/zinc/35/11/29/496351129.db2.gz KZTIGFDUWRLBPB-UHFFFAOYSA-N 1 0 356.514 3.177 10 0 FGAERO O=C(CN1CCC[C@@H](c2nccs2)C1)Nc1nc2c(s1)CCCC2 ZINC000157020001 496387377 /nfs/dbraw/zinc/38/73/77/496387377.db2.gz FNARRLBUNLAOQK-GFCCVEGCSA-N 1 0 362.524 3.297 10 0 FGAERO Cc1nccn1C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)N(Cc1ccccc1)C(C)C ZINC000178310719 496407615 /nfs/dbraw/zinc/40/76/15/496407615.db2.gz QUWYUHJVBQSDCD-RXVVDRJESA-N 1 0 368.525 3.482 10 0 FGAERO Cc1nccn1C[C@H]1CCC[N@H+]1CC(=O)N[C@@H](C)c1ccc(C)c(C)c1 ZINC000178312792 496409951 /nfs/dbraw/zinc/40/99/51/496409951.db2.gz MGHIPAAZXZOBGW-FXAWDEMLSA-N 1 0 354.498 3.150 10 0 FGAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000178321796 496411879 /nfs/dbraw/zinc/41/18/79/496411879.db2.gz SUUPKZWSBGWKOP-SFTDATJTSA-N 1 0 366.509 3.410 10 0 FGAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1CCC(=O)NCc1ccccc1Cl ZINC000178323087 496412388 /nfs/dbraw/zinc/41/23/88/496412388.db2.gz XJBUQKLTDDKWII-KRWDZBQOSA-N 1 0 360.889 3.016 10 0 FGAERO CCCN1c2ccc(NC(=O)N(C)C[C@@H]3CCC[N@@H+]3CC)cc2CCC1=O ZINC000181515749 496428532 /nfs/dbraw/zinc/42/85/32/496428532.db2.gz QCIWWSZQKRPJSC-SFHVURJKSA-N 1 0 372.513 3.324 10 0 FGAERO C[N@H+](CCNC(=O)N[C@H]1CCOc2ccccc21)Cc1ccc(F)cc1 ZINC000175531083 496428855 /nfs/dbraw/zinc/42/88/55/496428855.db2.gz BBMIRDFDMNBJOW-SFHVURJKSA-N 1 0 357.429 3.081 10 0 FGAERO Cc1ccc(CNC(=O)NC[C@@H](c2cccs2)N2CCO[C@H](C)C2)cc1 ZINC000178435507 496454637 /nfs/dbraw/zinc/45/46/37/496454637.db2.gz DSARIQBPKHSFMG-AEFFLSMTSA-N 1 0 373.522 3.318 10 0 FGAERO Cc1cc(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)ccc1NC(=O)CC(C)C ZINC000172895628 496480341 /nfs/dbraw/zinc/48/03/41/496480341.db2.gz UVLZHLMEJDZPNA-SFHVURJKSA-N 1 0 357.498 3.290 10 0 FGAERO CCc1nccn1[C@H]1CCC[N@H+](C[C@H](O)COc2ccccc2Cl)C1 ZINC000178613228 496516234 /nfs/dbraw/zinc/51/62/34/496516234.db2.gz BSDRGHOTZRVRAY-HOTGVXAUSA-N 1 0 363.889 3.176 10 0 FGAERO C[NH+](C)C[C@H](NC(=O)c1ccn(-c2ccc(F)cc2F)n1)c1ccccc1 ZINC000184768768 496523706 /nfs/dbraw/zinc/52/37/06/496523706.db2.gz BRDXKCKFBBYMAG-SFHVURJKSA-N 1 0 370.403 3.183 10 0 FGAERO Cc1cc([C@@H](C)NC(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)c(C)s1 ZINC000184839407 496552679 /nfs/dbraw/zinc/55/26/79/496552679.db2.gz XPBSYASYWHTSDQ-UKRRQHHQSA-N 1 0 367.559 3.160 10 0 FGAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cccc(NC(=O)C2CC2)c1 ZINC000157806230 496558717 /nfs/dbraw/zinc/55/87/17/496558717.db2.gz XRKVTNRCPDLLTM-GOSISDBHSA-N 1 0 358.486 3.277 10 0 FGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCC(N(C)c2ccccc2)CC1 ZINC000175864679 496578547 /nfs/dbraw/zinc/57/85/47/496578547.db2.gz KMQGSLVLDBZUGC-GOSISDBHSA-N 1 0 360.546 3.273 10 0 FGAERO O=C(c1ccc(C[NH+]2CCC(CO)CC2)cc1)N1CCC[C@@H]1c1ccco1 ZINC000164414526 496611089 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C[C@@H]([NH2+][C@@H](C)c1cccc(Br)c1)C(=O)NCc1ccco1 ZINC000038012485 211349102 /nfs/dbraw/zinc/34/91/02/211349102.db2.gz VHBNRXIJRHGFRK-NWDGAFQWSA-N 1 0 351.244 3.398 10 0 FGAERO CC(C)C[C@H](C)OC[C@@H](O)C[NH2+]Cc1ccc(Br)s1 ZINC000037984844 211337226 /nfs/dbraw/zinc/33/72/26/211337226.db2.gz NPEWCCUPFJDXHR-RYUDHWBXSA-N 1 0 350.322 3.412 10 0 FGAERO C[C@H](Cn1cccn1)C[N@@H+]1CCCN(c2nc3ccccc3s2)CC1 ZINC000020271702 211273596 /nfs/dbraw/zinc/27/35/96/211273596.db2.gz PRJBJERAVIVRCZ-INIZCTEOSA-N 1 0 355.511 3.341 10 0 FGAERO Clc1nc(N2CCCC2)sc1CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000019839430 211258056 /nfs/dbraw/zinc/25/80/56/211258056.db2.gz UCEGVFRRAQHWND-CQSZACIVSA-N 1 0 354.951 3.457 10 0 FGAERO C[N@@H+]1CCCC[C@@H]1CNc1nncc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000019608566 211240814 /nfs/dbraw/zinc/24/08/14/211240814.db2.gz NIQBGCDHJNRDNE-CQSZACIVSA-N 1 0 351.376 3.454 10 0 FGAERO O=C1CC[C@@H](CC[NH2+]Cc2cccc(C(F)(F)F)c2)N1C[C@H]1CCCO1 ZINC000014980124 211110406 /nfs/dbraw/zinc/11/04/06/211110406.db2.gz XRGFWJYOOOAJIQ-DLBZAZTESA-N 1 0 370.415 3.355 10 0 FGAERO COc1cc2c(cc1OC)CN([C@H]1CCC[N@H+](Cc3cccnc3)C1)CC2 ZINC000020542196 220332735 /nfs/dbraw/zinc/33/27/35/220332735.db2.gz VPUFHUOAVIPASO-FQEVSTJZSA-N 1 0 367.493 3.122 10 0 FGAERO COc1cccc(-c2ncc(CNc3nc(C)nc4c3CC[NH2+]C4)s2)c1 ZINC000067673823 221267892 /nfs/dbraw/zinc/26/78/92/221267892.db2.gz OXYVQEYVGDJSND-UHFFFAOYSA-N 1 0 367.478 3.175 10 0 FGAERO CN(Cc1c[nH]nc1-c1ccccc1)c1nc(CC[NH3+])nc2ccccc21 ZINC000067920530 221305249 /nfs/dbraw/zinc/30/52/49/221305249.db2.gz ZPUJQDJKHSUMCU-UHFFFAOYSA-N 1 0 358.449 3.158 10 0 FGAERO Cc1nc(C(F)(F)F)c(C[N@@H+](C)[C@@H]2CCCN(c3cccnn3)C2)s1 ZINC000183580643 257367751 /nfs/dbraw/zinc/36/77/51/257367751.db2.gz RIBBMTZCVZBXJC-GFCCVEGCSA-N 1 0 371.432 3.361 10 0 FGAERO Cc1nc(NC(=O)N2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)sc1C ZINC000190455621 257368401 /nfs/dbraw/zinc/36/84/01/257368401.db2.gz BNRATJOHSMVFAL-MRXNPFEDSA-N 1 0 359.499 3.141 10 0 FGAERO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(c2cnc3ccccc3n2)C1 ZINC000190444950 257368555 /nfs/dbraw/zinc/36/85/55/257368555.db2.gz DVOCDTUSVPLIKP-OAHLLOKOSA-N 1 0 353.495 3.353 10 0 FGAERO CCO[C@@H]1C[C@H]([NH2+]C[C@](O)(c2ccccc2)C(F)(F)F)C12CCOCC2 ZINC000249044287 257370957 /nfs/dbraw/zinc/37/09/57/257370957.db2.gz VREIUCCTPBKPCE-JZXOWHBKSA-N 1 0 373.415 3.000 10 0 FGAERO COc1ccc(-c2cn3c(n2)CO[C@@H](C[NH2+]Cc2cccs2)C3)cc1 ZINC000096269254 222107753 /nfs/dbraw/zinc/10/77/53/222107753.db2.gz YFWHWPUIUPKUMA-INIZCTEOSA-N 1 0 355.463 3.309 10 0 FGAERO CC(=O)N[C@]1(c2nc(C)cs2)CC[N@@H+](Cc2ccc([C@@H]3C[C@@H]3C)o2)C1 ZINC000579548507 505573093 /nfs/dbraw/zinc/57/30/93/505573093.db2.gz NNBYWLLPVNXVHQ-JOKNJTHLSA-N 1 0 359.495 3.405 10 0 FGAERO C[NH+](C)C[C@@H](NC(=O)NCc1nc2ccccc2s1)c1ccccc1 ZINC000047957357 493766110 /nfs/dbraw/zinc/76/61/10/493766110.db2.gz FOTWZIGWKNWCOF-MRXNPFEDSA-N 1 0 354.479 3.398 10 0 FGAERO COc1ccc(Cl)cc1CNC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000048216866 493803342 /nfs/dbraw/zinc/80/33/42/493803342.db2.gz ICMUWJWIQVAXMO-KRWDZBQOSA-N 1 0 361.873 3.451 10 0 FGAERO CC(=O)Nc1cccc([C@H](C)NC(=O)N[C@H](C[NH+](C)C)c2ccccc2)c1 ZINC000048217210 493804603 /nfs/dbraw/zinc/80/46/03/493804603.db2.gz GRCQWVVUAQEVSJ-MGPUTAFESA-N 1 0 368.481 3.308 10 0 FGAERO CC[N@@H+]1CCC[C@@H](NC(=O)N(C)Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000057870405 493810707 /nfs/dbraw/zinc/81/07/07/493810707.db2.gz OGVIFGPYLABQDV-CQSZACIVSA-N 1 0 359.392 3.211 10 0 FGAERO Cc1noc2nc(C3CC3)cc(C(=O)N[C@@H](C[NH+](C)C)c3ccccc3)c12 ZINC000029954007 493869652 /nfs/dbraw/zinc/86/96/52/493869652.db2.gz KJNSLOYDYJKXEP-SFHVURJKSA-N 1 0 364.449 3.441 10 0 FGAERO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H](C)c2cccc(-n3ccnc3)c2)C1 ZINC000076471217 493899524 /nfs/dbraw/zinc/89/95/24/493899524.db2.gz KJVHUSCXFULXKY-VQIMIIECSA-N 1 0 355.486 3.059 10 0 FGAERO CCOC[C@@H]1CCN(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000081489210 493902222 /nfs/dbraw/zinc/90/22/22/493902222.db2.gz MGFAKUOXPDWHJN-WOJBJXKFSA-N 1 0 359.514 3.109 10 0 FGAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000076513598 493911851 /nfs/dbraw/zinc/91/18/51/493911851.db2.gz RHASSMOBBHNUNW-CTNGQTDRSA-N 1 0 354.469 3.390 10 0 FGAERO Nc1ccc(F)c(NC(=O)CC[N@@H+]2CCC[C@H]2C[C@H](O)c2ccccc2)c1 ZINC000083216169 494008427 /nfs/dbraw/zinc/00/84/27/494008427.db2.gz YDYGRIIRJIZZEV-PXNSSMCTSA-N 1 0 371.456 3.325 10 0 FGAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1ccc(F)cc1Br ZINC000083704094 494031161 /nfs/dbraw/zinc/03/11/61/494031161.db2.gz RXXMJEIUYUJQLP-WCQYABFASA-N 1 0 355.251 3.287 10 0 FGAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1CCOc1ccc(Br)cc1 ZINC000083704310 494031211 /nfs/dbraw/zinc/03/12/11/494031211.db2.gz DFWHZFHBRBNGND-GDBMZVCRSA-N 1 0 353.304 3.387 10 0 FGAERO CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H](C)c2ccccc2Br)C1 ZINC000052499951 494032969 /nfs/dbraw/zinc/03/29/69/494032969.db2.gz SCZGDZZTTSCXTK-QWHCGFSZSA-N 1 0 354.292 3.294 10 0 FGAERO COc1ccc(OCCCC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)cc1 ZINC000052556258 494039382 /nfs/dbraw/zinc/03/93/82/494039382.db2.gz JNPKZNAJMPSZRW-FQEVSTJZSA-N 1 0 356.466 3.273 10 0 FGAERO CC[N@@H+]1CCC[C@H](NC(=O)N(C)Cc2ccc(Br)s2)C1 ZINC000052592624 494043889 /nfs/dbraw/zinc/04/38/89/494043889.db2.gz RFQLAWQQWYBAQP-NSHDSACASA-N 1 0 360.321 3.136 10 0 FGAERO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(F)c(F)c2)cc1OC ZINC000008248120 494078619 /nfs/dbraw/zinc/07/86/19/494078619.db2.gz GVTKCGZQNPLVMA-NSHDSACASA-N 1 0 350.365 3.271 10 0 FGAERO [NH3+]CC[C@](O)(COCc1ccccc1Br)c1ccccc1 ZINC000035790486 494080958 /nfs/dbraw/zinc/08/09/58/494080958.db2.gz HEJGPLGATDIVKE-KRWDZBQOSA-N 1 0 350.256 3.202 10 0 FGAERO C[NH+]1CCC2(C[N@H+](Cc3ccc(Cl)cc3Cl)C[C@H]2C(=O)[O-])CC1 ZINC000008698705 494099733 /nfs/dbraw/zinc/09/97/33/494099733.db2.gz CIJRSQKRSIWTBK-AWEZNQCLSA-N 1 0 357.281 3.222 10 0 FGAERO CN(c1ccccc1)C1CC[NH+](C[C@H](O)COCc2ccccc2)CC1 ZINC000084963878 494108229 /nfs/dbraw/zinc/10/82/29/494108229.db2.gz RSHQXZFUFXFRBP-QFIPXVFZSA-N 1 0 354.494 3.165 10 0 FGAERO CC(C)CCOc1cccc(NC(=O)NC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000064547553 494132644 /nfs/dbraw/zinc/13/26/44/494132644.db2.gz HCAHRCAIRLKNCU-SFHVURJKSA-N 1 0 363.502 3.080 10 0 FGAERO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCO2)C(=O)N(C)Cc1ccccc1 ZINC000072587839 494210725 /nfs/dbraw/zinc/21/07/25/494210725.db2.gz SDGPTSVMGXKKKK-JKSUJKDBSA-N 1 0 354.450 3.156 10 0 FGAERO CCC[N@@H+]1CCCN(c2cc(C(F)(F)F)nc(-c3ccncc3)n2)CC1 ZINC000078251322 494262796 /nfs/dbraw/zinc/26/27/96/494262796.db2.gz IPZKBESKGUGKTN-UHFFFAOYSA-N 1 0 365.403 3.480 10 0 FGAERO Cc1occc1C[N@H+](C)C[C@@H](O)COc1cccc(Br)c1 ZINC000055055280 494294789 /nfs/dbraw/zinc/29/47/89/494294789.db2.gz OWNKFBGWGFZYOG-OAHLLOKOSA-N 1 0 354.244 3.222 10 0 FGAERO C[C@H]([NH2+]CC(=O)NC(=O)NCc1cccs1)c1cccc(Cl)c1 ZINC000014932402 494329570 /nfs/dbraw/zinc/32/95/70/494329570.db2.gz AZEBCNQCLPBWBR-NSHDSACASA-N 1 0 351.859 3.078 10 0 FGAERO COc1cc(C)c([C@H](C)[NH2+][C@@H]2CCCN(c3cccnn3)C2)cc1OC ZINC000089733392 494350444 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CCS(=O)(=O)Nc1ccc([C@@H](C)NC[C@H]2CCC[N@@H+]2CC(C)C)cc1 ZINC000090773237 494496794 /nfs/dbraw/zinc/49/67/94/494496794.db2.gz NBBKZSMMUXVCIC-VQIMIIECSA-N 1 0 367.559 3.219 10 0 FGAERO CC(C)[NH+](CCCNC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccccc1)C(C)C ZINC000074330025 494520581 /nfs/dbraw/zinc/52/05/81/494520581.db2.gz GEXMFQDUNSHSNA-TZIWHRDSSA-N 1 0 373.541 3.221 10 0 FGAERO CN(Cc1csc(-c2ccoc2)n1)C1CC[NH+](CCn2cccn2)CC1 ZINC000108373230 494690234 /nfs/dbraw/zinc/69/02/34/494690234.db2.gz SBEFDADYDDDVTD-UHFFFAOYSA-N 1 0 371.510 3.196 10 0 FGAERO O[C@@H](COCc1ccccc1)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000025227921 494712593 /nfs/dbraw/zinc/71/25/93/494712593.db2.gz GRQODLHYLSGGRF-WOJBJXKFSA-N 1 0 369.461 3.172 10 0 FGAERO COc1ccc([C@@H]2CCC[N@@H+]2C[C@@H](O)COCc2ccccc2)c(OC)c1 ZINC000025301228 494720236 /nfs/dbraw/zinc/72/02/36/494720236.db2.gz IMIYTTHCGAQPMA-NQIIRXRSSA-N 1 0 371.477 3.418 10 0 FGAERO C[C@@H]1CCC[C@H](C2(O)CN(C(=O)OC(C)(C)C)C2)[N@@H+]1Cc1ccccc1 ZINC000116326580 494762218 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Cc1ccc([C@H](C[NH2+]CC2=Cc3ccccc3OC2)N2CCOCC2)s1 ZINC000109074399 494828273 /nfs/dbraw/zinc/82/82/73/494828273.db2.gz UXDLLBCWSDMKLR-IBGZPJMESA-N 1 0 370.518 3.495 10 0 FGAERO C[NH+](C)C[C@H](NC(=O)CCc1nc(C2CCCC2)no1)c1ccccc1 ZINC000126747699 494831277 /nfs/dbraw/zinc/83/12/77/494831277.db2.gz VOPVFWBXTJNZSQ-KRWDZBQOSA-N 1 0 356.470 3.079 10 0 FGAERO CCc1nccn1[C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC000109284830 494854747 /nfs/dbraw/zinc/85/47/47/494854747.db2.gz LIWRXQDKKIVXRH-AZUAARDMSA-N 1 0 354.498 3.302 10 0 FGAERO O=C(CSCc1ccccn1)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000109302829 494857814 /nfs/dbraw/zinc/85/78/14/494857814.db2.gz GKEKUAQSVRIPDM-FQEVSTJZSA-N 1 0 369.534 3.486 10 0 FGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc(NC(C)=O)cc(C(F)(F)F)c1 ZINC000121804791 494863464 /nfs/dbraw/zinc/86/34/64/494863464.db2.gz UQDKUQRSRSCRFY-INIZCTEOSA-N 1 0 371.403 3.220 10 0 FGAERO Cc1cccc(NC(=O)N(C)C2CC[NH+](CCn3cccn3)CC2)c1C ZINC000109379976 494866073 /nfs/dbraw/zinc/86/60/73/494866073.db2.gz SYJKHWDCGIUQQI-UHFFFAOYSA-N 1 0 355.486 3.128 10 0 FGAERO CCOCC[N@@H+]1CCN(C(=O)Nc2cccc3cccnc32)C[C@H]1CC ZINC000116928037 494871043 /nfs/dbraw/zinc/87/10/43/494871043.db2.gz CRQHGSVGSUWZHR-QGZVFWFLSA-N 1 0 356.470 3.199 10 0 FGAERO C[C@@H](NC(=O)N1CCO[C@H](C[NH+](C)C)C1)c1ccc(Cl)cc1Cl ZINC000117024920 494885696 /nfs/dbraw/zinc/88/56/96/494885696.db2.gz YSBXCEBNWWZFRS-DGCLKSJQSA-N 1 0 360.285 3.026 10 0 FGAERO C[NH+](C)C[C@H]1CN(C(=O)N[C@H](Cc2ccccc2)c2cccs2)CCO1 ZINC000117055229 494888682 /nfs/dbraw/zinc/88/86/82/494888682.db2.gz JLJKMEWKCLWVRA-ZWKOTPCHSA-N 1 0 373.522 3.004 10 0 FGAERO Cc1cnn([C@@H]2CCCN(C(=O)[C@@H]3CCC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000109684740 494907855 /nfs/dbraw/zinc/90/78/55/494907855.db2.gz YJAXHFROUTVRQU-NHCUHLMSSA-N 1 0 366.509 3.267 10 0 FGAERO O[C@@H]1CCCC[C@H]1[NH+]1CCC(Nc2ccc(Br)cn2)CC1 ZINC000132934458 494944963 /nfs/dbraw/zinc/94/49/63/494944963.db2.gz JVOIEQCLGRCOCP-HUUCEWRRSA-N 1 0 354.292 3.024 10 0 FGAERO Cc1cnn(CCNC(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)c1 ZINC000118058144 494975586 /nfs/dbraw/zinc/97/55/86/494975586.db2.gz VYRYMAUZDKLXSV-GOSISDBHSA-N 1 0 369.513 3.065 10 0 FGAERO CCOCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000127773171 494995957 /nfs/dbraw/zinc/99/59/57/494995957.db2.gz WZMLGTHJJFYDKP-HOTGVXAUSA-N 1 0 367.559 3.377 10 0 FGAERO CCCCNc1ccccc1C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000127868718 495010895 /nfs/dbraw/zinc/01/08/95/495010895.db2.gz BDKBEJSYQIKUFY-KRWDZBQOSA-N 1 0 361.530 3.063 10 0 FGAERO C[C@@H](O)C1CC[NH+](C[C@H](O)COc2ccc(Oc3ccccc3)cc2)CC1 ZINC000111286329 495059835 /nfs/dbraw/zinc/05/98/35/495059835.db2.gz VQYPVWVYJVIKLQ-MJGOQNOKSA-N 1 0 371.477 3.311 10 0 FGAERO Cc1c([C@H](C)[NH2+]C[C@@H](C)N2CCOCC2)cnn1-c1cc(C)ccc1C ZINC000123239425 495101967 /nfs/dbraw/zinc/10/19/67/495101967.db2.gz VWJQWLKXYPVXPW-MSOLQXFVSA-N 1 0 356.514 3.169 10 0 FGAERO COC(=O)[C@@H]1CCC[N@H+](CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000123249156 495103520 /nfs/dbraw/zinc/10/35/20/495103520.db2.gz OGWUJPRMEGNDSM-CYBMUJFWSA-N 1 0 366.255 3.110 10 0 FGAERO CCC[C@H](C(=O)NC1CCN(C(=O)[C@@H](CC)c2ccccc2)CC1)[NH+](C)C ZINC000128485694 495103914 /nfs/dbraw/zinc/10/39/14/495103914.db2.gz PORSARQTIXYIAK-VQTJNVASSA-N 1 0 373.541 3.018 10 0 FGAERO CCC[C@@H](C(=O)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1)[NH+](C)C ZINC000128528122 495111783 /nfs/dbraw/zinc/11/17/83/495111783.db2.gz FBRYKLPAFOBUIK-JKSUJKDBSA-N 1 0 358.404 3.336 10 0 FGAERO CCC[C@@H](C(=O)N[C@@H](C)c1noc(-c2ccc(Cl)cc2)n1)[NH+](C)C ZINC000134149212 495113510 /nfs/dbraw/zinc/11/35/10/495113510.db2.gz ZSGYHLQYKJZXHG-FZMZJTMJSA-N 1 0 350.850 3.298 10 0 FGAERO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1CCc2[nH]c3ccc(OC)cc3c2C1 ZINC000123366794 495121215 /nfs/dbraw/zinc/12/12/15/495121215.db2.gz AOEFBRBWEMISES-YJYMSZOUSA-N 1 0 365.481 3.312 10 0 FGAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)N(C)[C@H](C)c1ccc(Cl)cc1 ZINC000111864569 495122441 /nfs/dbraw/zinc/12/24/41/495122441.db2.gz FZSZVYILYJYYSI-PBHICJAKSA-N 1 0 353.894 3.153 10 0 FGAERO C[C@H](C[NH2+][C@H]1CCSc2ccc(Br)cc21)N1CCOCC1 ZINC000123410397 495128073 /nfs/dbraw/zinc/12/80/73/495128073.db2.gz LRGGXQIQWGBUAN-DOMZBBRYSA-N 1 0 371.344 3.296 10 0 FGAERO Cc1ccc(-c2nc(CCNC(=O)N[C@H](CC(C)C)C[NH+](C)C)co2)cc1 ZINC000102556585 495140934 /nfs/dbraw/zinc/14/09/34/495140934.db2.gz IKBUPMLQHLBDHX-LJQANCHMSA-N 1 0 372.513 3.468 10 0 FGAERO Cc1cc(Cl)c(NC(=O)C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1Cl ZINC000119331937 495144533 /nfs/dbraw/zinc/14/45/33/495144533.db2.gz LFZZZXPIEDXXOE-XHDPSFHLSA-N 1 0 372.296 3.085 10 0 FGAERO Fc1ccc(COc2cccc(C[NH2+][C@@H]3CCc4ncnn4C3)c2)cc1 ZINC000119351539 495147968 /nfs/dbraw/zinc/14/79/68/495147968.db2.gz LANFVBWTCJKICA-GOSISDBHSA-N 1 0 352.413 3.101 10 0 FGAERO O=C(N[C@H]1CC2(CCCC2)Oc2ccccc21)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000123579268 495154534 /nfs/dbraw/zinc/15/45/34/495154534.db2.gz PGMXVLQWBRYZDY-MJGOQNOKSA-N 1 0 367.493 3.479 10 0 FGAERO CCOCC[N@@H+]1CCN(C(=O)[C@@H]2C[C@@H]2c2sccc2C)C[C@H]1CC ZINC000123631494 495163473 /nfs/dbraw/zinc/16/34/73/495163473.db2.gz WZHOVSIMCLAOCV-IXDOHACOSA-N 1 0 350.528 3.119 10 0 FGAERO CC[NH+](CC)[C@@H](C)CNC(=O)[C@@H](C)Oc1ccccc1Br ZINC000112393084 495184164 /nfs/dbraw/zinc/18/41/64/495184164.db2.gz LIJGSKQGMHZDEM-QWHCGFSZSA-N 1 0 357.292 3.063 10 0 FGAERO CCn1cc(C2CCN(C(=O)[C@@H](c3ccccc3)[N@H+](C)CC)CC2)cn1 ZINC000123777044 495184728 /nfs/dbraw/zinc/18/47/28/495184728.db2.gz BOJYFUVUXRMWSX-HXUWFJFHSA-N 1 0 354.498 3.302 10 0 FGAERO CCOCC[N@@H+]1CCN(C(=O)Nc2ccccc2N2CCCC2)C[C@H]1CC ZINC000119770317 495237056 /nfs/dbraw/zinc/23/70/56/495237056.db2.gz NCKWFSRRZXITJK-GOSISDBHSA-N 1 0 374.529 3.251 10 0 FGAERO Cc1cn(-c2ccccc2Cl)nc1C(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000119797832 495243391 /nfs/dbraw/zinc/24/33/91/495243391.db2.gz WUAJBIMKWJLBDR-BBRMVZONSA-N 1 0 360.889 3.293 10 0 FGAERO C[C@@H](NC(=O)N1CC[C@@H](C[NH+](C)C)C1)c1cccc(Br)c1 ZINC000129484478 495251884 /nfs/dbraw/zinc/25/18/84/495251884.db2.gz BSLAVRRFMONOIM-OLZOCXBDSA-N 1 0 354.292 3.103 10 0 FGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000113226551 495285763 /nfs/dbraw/zinc/28/57/63/495285763.db2.gz VBDKPWWAZDILIN-CZUORRHYSA-N 1 0 374.872 3.018 10 0 FGAERO Cc1cccc(-c2nc(CC(=O)N3C[C@@H]4CCC[N@H+]4C[C@@H]3C)cs2)c1 ZINC000113223286 495286099 /nfs/dbraw/zinc/28/60/99/495286099.db2.gz SLWSKYPKXVYOJP-YJBOKZPZSA-N 1 0 355.507 3.356 10 0 FGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCCc2coc(-c3ccc(F)cc3)n2)C1 ZINC000120012097 495288329 /nfs/dbraw/zinc/28/83/29/495288329.db2.gz GRCRUIPOLROSMV-KDOFPFPSSA-N 1 0 374.460 3.051 10 0 FGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)Nc1ccccc1Cc1ccccc1 ZINC000113271943 495291551 /nfs/dbraw/zinc/29/15/51/495291551.db2.gz JCTXLWFEBCHXEH-GHTZIAJQSA-N 1 0 363.505 3.384 10 0 FGAERO Clc1ccc(C[NH2+][C@H]2CCCN(c3cccnn3)C2)c2ncccc12 ZINC000113440590 495306223 /nfs/dbraw/zinc/30/62/23/495306223.db2.gz IJVNYIILLGMECK-HNNXBMFYSA-N 1 0 353.857 3.437 10 0 FGAERO C[NH+](C)[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(Cl)nn3)cc2)C1 ZINC000113573467 495315841 /nfs/dbraw/zinc/31/58/41/495315841.db2.gz WQYJZHZYDCUQKK-ZDUSSCGKSA-N 1 0 361.833 3.090 10 0 FGAERO COC(=O)c1ccc(OC[C@@H](O)C[N@@H+]2CCCC[C@H]2c2ccc(C)o2)cc1 ZINC000124620981 495317733 /nfs/dbraw/zinc/31/77/33/495317733.db2.gz OXDUSGNUZIPGON-HKUYNNGSSA-N 1 0 373.449 3.342 10 0 FGAERO CCc1csc([C@H]2CCCN(C(=O)NCC[NH+]3CCC(C)CC3)C2)n1 ZINC000113591631 495318439 /nfs/dbraw/zinc/31/84/39/495318439.db2.gz NQILAOYANXQSRO-INIZCTEOSA-N 1 0 364.559 3.326 10 0 FGAERO CCc1csc([C@H]2CCCN(C(=O)NC[C@@H]3CCCC[N@H+]3CC)C2)n1 ZINC000113620909 495322103 /nfs/dbraw/zinc/32/21/03/495322103.db2.gz JCSXLKPXGRAGHO-RDJZCZTQSA-N 1 0 364.559 3.469 10 0 FGAERO Cc1ccnc(Oc2ccc(NC(=O)N3CC[N@@H+]4CCCC[C@@H]4C3)cc2)n1 ZINC000124837304 495351659 /nfs/dbraw/zinc/35/16/59/495351659.db2.gz ULIWLHWXLKFYTE-QGZVFWFLSA-N 1 0 367.453 3.279 10 0 FGAERO CCc1ccc([C@@H]2CCCC[N@@H+]2CCC(=O)Nc2ccc(C(N)=O)cc2)o1 ZINC000124918082 495363631 /nfs/dbraw/zinc/36/36/31/495363631.db2.gz IAEZCKUYVDPRHL-SFHVURJKSA-N 1 0 369.465 3.497 10 0 FGAERO Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000114585504 495394685 /nfs/dbraw/zinc/39/46/85/495394685.db2.gz YQLMKONNBSVRDL-GOSISDBHSA-N 1 0 361.534 3.004 10 0 FGAERO CCC[NH+](CCC)CCCNC(=O)N1CCC[C@H]1c1c(C)nn(C)c1C ZINC000114595162 495396830 /nfs/dbraw/zinc/39/68/30/495396830.db2.gz JWBKYKAVBHRHEG-SFHVURJKSA-N 1 0 363.550 3.396 10 0 FGAERO C[C@H](c1ccc2ccccc2c1)[NH+]1CCN(c2ccc3nncn3n2)CC1 ZINC000106091836 495412988 /nfs/dbraw/zinc/41/29/88/495412988.db2.gz PSAMLPPAVHRUHT-MRXNPFEDSA-N 1 0 358.449 3.161 10 0 FGAERO Cc1nc(CN2CCC[N@H+](Cc3ccc(Cl)c4cccnc34)CC2)no1 ZINC000106146899 495419827 /nfs/dbraw/zinc/41/98/27/495419827.db2.gz TXCQKTJNQSHCDC-UHFFFAOYSA-N 1 0 371.872 3.288 10 0 FGAERO C[N@@H+](Cc1ccc2c(c1)OCCO2)C[C@H](c1cccs1)N1CCOCC1 ZINC000106160072 495420490 /nfs/dbraw/zinc/42/04/90/495420490.db2.gz FJHWRMAXMANBJY-QGZVFWFLSA-N 1 0 374.506 3.025 10 0 FGAERO CCCn1cc(CN2CCC[N@H+](Cc3cc(OC)ccc3OC)CC2)cn1 ZINC000106158656 495420550 /nfs/dbraw/zinc/42/05/50/495420550.db2.gz KJMRUYUDMZIOHY-UHFFFAOYSA-N 1 0 372.513 3.018 10 0 FGAERO c1ncn(C[C@@H]2CCC[N@@H+](Cc3ccc(OCc4ccccn4)cc3)C2)n1 ZINC000106171211 495423553 /nfs/dbraw/zinc/42/35/53/495423553.db2.gz CSZDZHCRRIWJNY-LJQANCHMSA-N 1 0 363.465 3.164 10 0 FGAERO CCC[C@@H](C(=O)NCc1cccc(NC(=O)c2cccc(F)c2)c1)[NH+](C)C ZINC000137195050 495429515 /nfs/dbraw/zinc/42/95/15/495429515.db2.gz ZETVAOBVPSKRJR-IBGZPJMESA-N 1 0 371.456 3.425 10 0 FGAERO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1[C@@H](C)C(=O)N(C)Cc1cccc(F)c1 ZINC000106209890 495431630 /nfs/dbraw/zinc/43/16/30/495431630.db2.gz QIVOEAMAQPOLPC-QFBILLFUSA-N 1 0 372.488 3.360 10 0 FGAERO CCOc1ccc(-c2nc(C[N@@H+]3CC[C@H](c4cnn(C)c4)C3)co2)cc1 ZINC000120683552 495434146 /nfs/dbraw/zinc/43/41/46/495434146.db2.gz KQZODLBSIQBYQO-INIZCTEOSA-N 1 0 352.438 3.463 10 0 FGAERO CC(=O)c1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](n3cc(C)cn3)C2)cc1 ZINC000106222230 495436183 /nfs/dbraw/zinc/43/61/83/495436183.db2.gz VWRTZZLGWWQHCF-LJQANCHMSA-N 1 0 354.454 3.060 10 0 FGAERO Cc1cnn([C@@H]2CCC[N@H+](C[C@H](O)COc3cccc4ccccc43)C2)c1 ZINC000106222965 495437889 /nfs/dbraw/zinc/43/78/89/495437889.db2.gz DGNXTLCQJYPMJB-UXHICEINSA-N 1 0 365.477 3.422 10 0 FGAERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1nnc(-c2ccc(OC)cc2)s1 ZINC000130813443 495449091 /nfs/dbraw/zinc/44/90/91/495449091.db2.gz IFAVPARVCOTHQY-LBPRGKRZSA-N 1 0 363.487 3.066 10 0 FGAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCc1cc(Br)cs1 ZINC000106459107 495457707 /nfs/dbraw/zinc/45/77/07/495457707.db2.gz AZGJLQYVJYXWKA-OAHLLOKOSA-N 1 0 367.312 3.300 10 0 FGAERO C[C@H](COc1ccc(F)cc1F)NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106460259 495457866 /nfs/dbraw/zinc/45/78/66/495457866.db2.gz KRSJLOLISZAOHG-RDTXWAMCSA-N 1 0 362.420 3.021 10 0 FGAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCc1nnc(-c2ccccc2)s1 ZINC000130936537 495468751 /nfs/dbraw/zinc/46/87/51/495468751.db2.gz CYEVBWMRXGHSQA-MRXNPFEDSA-N 1 0 373.526 3.125 10 0 FGAERO COCC[N@@H+]1CCN(C[C@@H](C)c2cccc(Br)c2)C[C@@H]1C ZINC000120847432 495470429 /nfs/dbraw/zinc/47/04/29/495470429.db2.gz CTHIAGXNSIXSHC-CABCVRRESA-N 1 0 355.320 3.205 10 0 FGAERO CCOCC[N@@H+]1CCN(Cc2c[nH]nc2-c2ccc(OC)cc2)C[C@H]1CC ZINC000121018780 495505114 /nfs/dbraw/zinc/50/51/14/495505114.db2.gz DFUDOHUSNSLLDA-LJQANCHMSA-N 1 0 372.513 3.018 10 0 FGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCc1cc(F)ccc1Br ZINC000182430537 495561842 /nfs/dbraw/zinc/56/18/42/495561842.db2.gz SYCFAUDXEWXLEB-IUODEOHRSA-N 1 0 369.278 3.216 10 0 FGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cncc(-c3ccc4c(c3)CCO4)c2)C1 ZINC000154267375 495562936 /nfs/dbraw/zinc/56/29/36/495562936.db2.gz XMJHATBFQMSXDV-QRWLVFNGSA-N 1 0 365.477 3.142 10 0 FGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cnc(Cc2ccccc2F)s1 ZINC000185408350 495565788 /nfs/dbraw/zinc/56/57/88/495565788.db2.gz KJAWQSQTNSJAEY-UKRRQHHQSA-N 1 0 359.470 3.182 10 0 FGAERO CCCCCNC(=O)C1CC[NH+](CCN(C)Cc2ccc(F)cc2)CC1 ZINC000158683499 495567336 /nfs/dbraw/zinc/56/73/36/495567336.db2.gz YNXZDKPQUIERFD-UHFFFAOYSA-N 1 0 363.521 3.276 10 0 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FGAERO C[C@H](CC(=O)N[C@@H](C[NH+](C)C)c1ccccc1)C(=O)c1cccc(F)c1 ZINC000173723695 495665315 /nfs/dbraw/zinc/66/53/15/495665315.db2.gz FJQHCLQPHZDBSR-BEFAXECRSA-N 1 0 356.441 3.454 10 0 FGAERO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(SC)c(OC)c2)C12CCOCC2 ZINC000185658239 495666079 /nfs/dbraw/zinc/66/60/79/495666079.db2.gz YWRPQJUCPWOQQY-MSOLQXFVSA-N 1 0 351.512 3.481 10 0 FGAERO CCc1c(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cnn1-c1ccc(Cl)cc1 ZINC000185678205 495675033 /nfs/dbraw/zinc/67/50/33/495675033.db2.gz PWCVXKQGBGQMOB-YOEHRIQHSA-N 1 0 372.900 3.397 10 0 FGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1cc(Cl)ccc1OC(F)F ZINC000173774742 495686646 /nfs/dbraw/zinc/68/66/46/495686646.db2.gz BMDVSFYSVPYWIE-BXUZGUMPSA-N 1 0 373.831 3.320 10 0 FGAERO C[C@H](NC[C@@H]1CN(C)CCO1)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000150936651 495687109 /nfs/dbraw/zinc/68/71/09/495687109.db2.gz OQDQVKYHAXQPLB-CMPLNLGQSA-N 1 0 371.268 3.025 10 0 FGAERO COC(=O)c1ccc(NC(=O)N[C@@H](C)C[N@H+](C)Cc2ccccc2)cc1F ZINC000179688345 495692219 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C[C@@H]([NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1)C(=O)NC(=O)NC1CC1 ZINC000180075447 495846797 /nfs/dbraw/zinc/84/67/97/495846797.db2.gz YMSHZKRCBIOKBK-BMIGLBTASA-N 1 0 369.387 3.123 10 0 FGAERO CCN(Cc1ccccc1)C(=O)[C@@H](C)[NH+]1CCC(Cn2cccn2)CC1 ZINC000155190724 495868608 /nfs/dbraw/zinc/86/86/08/495868608.db2.gz GNGDJIPDHNKHMB-GOSISDBHSA-N 1 0 354.498 3.032 10 0 FGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CCc1nc(-c2ccc(C)c(F)c2)no1 ZINC000176990392 495874421 /nfs/dbraw/zinc/87/44/21/495874421.db2.gz VANBOFASIBGFBY-INIZCTEOSA-N 1 0 374.460 3.059 10 0 FGAERO C[C@@H](CNC(=O)N[C@@H](Cc1ccccc1)C(F)(F)F)C[NH+]1CCCC1 ZINC000151558664 495877831 /nfs/dbraw/zinc/87/78/31/495877831.db2.gz KHGHWFCFYGRXPH-HOCLYGCPSA-N 1 0 357.420 3.191 10 0 FGAERO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1C[C@H](O)COc1cc(C)cc(C)c1 ZINC000155220217 495880070 /nfs/dbraw/zinc/88/00/70/495880070.db2.gz KSAVSSIUOVPPPB-AZUAARDMSA-N 1 0 357.498 3.231 10 0 FGAERO CCCCOc1ccc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c(Cl)c1 ZINC000186183970 495888062 /nfs/dbraw/zinc/88/80/62/495888062.db2.gz TWMMXZVICDPFHY-OAHLLOKOSA-N 1 0 368.905 3.096 10 0 FGAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](c2cccs2)N2CCCC2)C12CCOCC2 ZINC000186197628 495892896 /nfs/dbraw/zinc/89/28/96/495892896.db2.gz JVXPTLSPGYXBHX-QXAKKESOSA-N 1 0 364.555 3.449 10 0 FGAERO C[NH+](C)C[C@H]1CN(C(=O)CCCc2cc(Cl)sc2Cl)CCO1 ZINC000155253370 495892981 /nfs/dbraw/zinc/89/29/81/495892981.db2.gz UYNGFYKRPQXTQP-LBPRGKRZSA-N 1 0 365.326 3.167 10 0 FGAERO COC(=O)C1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)CC1 ZINC000180193543 495899561 /nfs/dbraw/zinc/89/95/61/495899561.db2.gz BTSRGOKYIKMEIX-ACBHZAAOSA-N 1 0 364.530 3.127 10 0 FGAERO CC(C)(C)OC(=O)c1cccc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)c1 ZINC000183257638 495903881 /nfs/dbraw/zinc/90/38/81/495903881.db2.gz YIXLDLXDRMPZPQ-QGZVFWFLSA-N 1 0 356.470 3.146 10 0 FGAERO CC(C)(CCO)C[NH2+][C@@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186225262 495904313 /nfs/dbraw/zinc/90/43/13/495904313.db2.gz XQWLYSOPJABDBM-INIZCTEOSA-N 1 0 364.287 3.327 10 0 FGAERO C[C@@H](O)C[N@@H+]1CCN(C(=O)CCCc2ccc(Cl)c(Cl)c2)C[C@H]1C ZINC000174317147 495908135 /nfs/dbraw/zinc/90/81/35/495908135.db2.gz MWMHMYKEJGIJQQ-ZIAGYGMSSA-N 1 0 373.324 3.230 10 0 FGAERO CCCC(=O)Nc1cccc(C[NH2+][C@H]2C[C@H](OCC)C23CCOCC3)c1 ZINC000186250506 495913643 /nfs/dbraw/zinc/91/36/43/495913643.db2.gz FOCQYIUCSRJKBV-OALUTQOASA-N 1 0 360.498 3.489 10 0 FGAERO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCCC3=O)cc2)C12CCOCC2 ZINC000186268975 495921731 /nfs/dbraw/zinc/92/17/31/495921731.db2.gz NGWHXTGFIZQHTN-UXHICEINSA-N 1 0 372.509 3.267 10 0 FGAERO Cc1csc([C@H]2CCCN(C(=O)NC[C@@H](C)[NH+]3CCC(C)CC3)C2)n1 ZINC000174385530 495936569 /nfs/dbraw/zinc/93/65/69/495936569.db2.gz VPAFZXMRSNMBKB-SJORKVTESA-N 1 0 364.559 3.461 10 0 FGAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2sc(CCOC)nc2C)C12CCOCC2 ZINC000186313202 495942289 /nfs/dbraw/zinc/94/22/89/495942289.db2.gz CTKDEPKHQQWAIV-CWRNSKLLSA-N 1 0 368.543 3.265 10 0 FGAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCc1coc(-c2cccs2)n1 ZINC000171606379 495945575 /nfs/dbraw/zinc/94/55/75/495945575.db2.gz LWBWOADCDARBMN-MRXNPFEDSA-N 1 0 355.463 3.192 10 0 FGAERO Cc1nccn1C[C@@H]1CCCN1C(=O)Cc1nc(-c2ccsc2)oc1C ZINC000177156702 495952217 /nfs/dbraw/zinc/95/22/17/495952217.db2.gz OTGOLOYQKQNQAF-INIZCTEOSA-N 1 0 370.478 3.450 10 0 FGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@@H]2C[C@@H]2c2cccc(Br)c2)C1 ZINC000155431266 495955337 /nfs/dbraw/zinc/95/53/37/495955337.db2.gz LCBLBAYVZWTUDM-YYQUZTFQSA-N 1 0 365.315 3.398 10 0 FGAERO Cc1ccc(C)c(OC[C@@H](O)C[N@@H+]2CC[C@H](CNc3ccccn3)C2)c1C ZINC000171640685 495961226 /nfs/dbraw/zinc/96/12/26/495961226.db2.gz BVUUOSPPTZEYLT-UXHICEINSA-N 1 0 369.509 3.181 10 0 FGAERO Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](CNc3ccccn3)C2)c1 ZINC000171642950 495962184 /nfs/dbraw/zinc/96/21/84/495962184.db2.gz KQWARINPPCTRPU-ZWKOTPCHSA-N 1 0 352.482 3.459 10 0 FGAERO CCO[C@H]1C[C@H]([NH2+]CCc2ccn(-c3ccc(F)cc3)n2)C12CCOCC2 ZINC000186362952 495965877 /nfs/dbraw/zinc/96/58/77/495965877.db2.gz UTLYTFWLTDJQFD-PMACEKPBSA-N 1 0 373.472 3.118 10 0 FGAERO Clc1cccc(N2CCCC2)c1C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000183405641 495968676 /nfs/dbraw/zinc/96/86/76/495968676.db2.gz FSBIVYVKGAYKTK-INIZCTEOSA-N 1 0 359.905 3.444 10 0 FGAERO COC1(C[NH2+][C@@H](c2ccc(Br)cc2)c2cncnc2)CCC1 ZINC000186388211 495977271 /nfs/dbraw/zinc/97/72/71/495977271.db2.gz MQGBVFYUPSEOTQ-INIZCTEOSA-N 1 0 362.271 3.487 10 0 FGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CCc2cccc(Br)c2)C1 ZINC000155549939 495991093 /nfs/dbraw/zinc/99/10/93/495991093.db2.gz WLUFYMUZRUDMEP-CJNGLKHVSA-N 1 0 353.304 3.227 10 0 FGAERO CCO[C@H]1C[C@@H]([NH2+]Cc2ccn(-c3ccc(F)cc3)n2)C12CCOCC2 ZINC000186438485 495999079 /nfs/dbraw/zinc/99/90/79/495999079.db2.gz MDSRHECBBONOBO-MOPGFXCFSA-N 1 0 359.445 3.075 10 0 FGAERO CC[NH+](CC)CCOc1ccccc1CNC(=O)N1CCS[C@H](C)C1 ZINC000171739801 496014766 /nfs/dbraw/zinc/01/47/66/496014766.db2.gz CVDAXBHZJHWEMI-MRXNPFEDSA-N 1 0 365.543 3.054 10 0 FGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@@H]1CCSc2ccc(F)cc21 ZINC000177316928 496015786 /nfs/dbraw/zinc/01/57/86/496015786.db2.gz WVLMESVOVRPFAU-GOEBONIOSA-N 1 0 351.491 3.488 10 0 FGAERO CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000177369801 496035028 /nfs/dbraw/zinc/03/50/28/496035028.db2.gz VQPKSPLRKBLWOM-HXUWFJFHSA-N 1 0 369.513 3.099 10 0 FGAERO CCCC(=O)Nc1cccc(CNC(=O)N(C)C[C@@H]2CCC[N@@H+]2CC)c1 ZINC000177401943 496048288 /nfs/dbraw/zinc/04/82/88/496048288.db2.gz RFJIUDCLXZJMHG-SFHVURJKSA-N 1 0 360.502 3.051 10 0 FGAERO C/C(=C\C(=O)N(C)C1CC[NH+](CCn2cccn2)CC1)c1cccc(F)c1 ZINC000171836342 496057939 /nfs/dbraw/zinc/05/79/39/496057939.db2.gz RZNAMXLLSRNUKQ-BMRADRMJSA-N 1 0 370.472 3.049 10 0 FGAERO Cc1cc2occ(CC(=O)N(C)CC3CC[NH+](C[C@@H](C)O)CC3)c2cc1C ZINC000177441312 496062273 /nfs/dbraw/zinc/06/22/73/496062273.db2.gz MUPAYRDKDVEWRA-QGZVFWFLSA-N 1 0 372.509 3.143 10 0 FGAERO Cc1ccc(CCCCC(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000177442060 496062416 /nfs/dbraw/zinc/06/24/16/496062416.db2.gz BTPBLLZOPNQFGN-LJQANCHMSA-N 1 0 360.542 3.259 10 0 FGAERO Cc1occc1C(=O)N(C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000177463196 496071521 /nfs/dbraw/zinc/07/15/21/496071521.db2.gz QZIPTEOWGKONJU-FQEVSTJZSA-N 1 0 356.466 3.106 10 0 FGAERO O=C(NCc1ccc(Br)cc1Cl)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171904939 496085171 /nfs/dbraw/zinc/08/51/71/496085171.db2.gz DRTYFWRQIKOMSV-ZDUSSCGKSA-N 1 0 372.694 3.092 10 0 FGAERO O=C(N[C@H]1CCCc2cc(OC(F)F)ccc21)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171905416 496085494 /nfs/dbraw/zinc/08/54/94/496085494.db2.gz UUFVUFDJVGPEAX-PBHICJAKSA-N 1 0 365.424 3.155 10 0 FGAERO Cc1ccsc1CNC(=O)C[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000180650217 496087065 /nfs/dbraw/zinc/08/70/65/496087065.db2.gz UFKKBEGVDBPVAK-HNNXBMFYSA-N 1 0 354.479 3.209 10 0 FGAERO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cccc(N3CCOC3=O)c1)CC2 ZINC000180652779 496088816 /nfs/dbraw/zinc/08/88/16/496088816.db2.gz VYVYYGJASQLBHH-ZBFHGGJFSA-N 1 0 369.469 3.024 10 0 FGAERO C[C@@H]([NH2+]CC(=O)Nc1cc(F)ccc1F)c1cccc(-n2ccnc2)c1 ZINC000180656990 496089747 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CCc1c(C(=O)N[C@H](CC(C)C)C[NH+](C)C)cnn1-c1ccccc1OC ZINC000184037281 496213786 /nfs/dbraw/zinc/21/37/86/496213786.db2.gz AYOFKYRHEXWBKM-MRXNPFEDSA-N 1 0 372.513 3.149 10 0 FGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCc1cccc(Br)c1 ZINC000175037628 496219676 /nfs/dbraw/zinc/21/96/76/496219676.db2.gz HKIUKUKYKJJFMR-DLBZAZTESA-N 1 0 365.315 3.467 10 0 FGAERO CCc1csc([C@H]2CCC[N@H+](CCn3cnc4ccccc4c3=O)C2)n1 ZINC000172246088 496226837 /nfs/dbraw/zinc/22/68/37/496226837.db2.gz YGQOSYYITNKZTR-HNNXBMFYSA-N 1 0 368.506 3.295 10 0 FGAERO CN(C)C(=O)[C@H]1CC[C@@H](C[NH2+]C2c3ccccc3CCc3ccccc32)O1 ZINC000181059430 496255735 /nfs/dbraw/zinc/25/57/35/496255735.db2.gz XZCCLXVAJYYDSC-GHTZIAJQSA-N 1 0 364.489 3.100 10 0 FGAERO COc1ccc(C[C@@H](C)C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)cc1OC ZINC000181067583 496258413 /nfs/dbraw/zinc/25/84/13/496258413.db2.gz YUFDQNXUZIMHKP-SJLPKXTDSA-N 1 0 362.514 3.119 10 0 FGAERO C[NH+](C)CCn1c2cc(NC(=O)[C@@H]3C[C@@H]3C3CCCCC3)ccc2oc1=O ZINC000152847811 496274543 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CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1nc2ccc(Cl)cc2n1C ZINC000328629223 210118179 /nfs/dbraw/zinc/11/81/79/210118179.db2.gz HZKAUKNJUGTZKL-YJBOKZPZSA-N 1 0 373.888 3.453 10 0 FGAERO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+][C@H](C)CCc1ccc2c(c1)OCO2 ZINC000190433765 210071951 /nfs/dbraw/zinc/07/19/51/210071951.db2.gz GJVUVZJPCMEIRI-SYNHAJSKSA-N 1 0 371.481 3.463 10 0 FGAERO CCOC(=O)C[C@@H](C)C[C@H]([NH3+])c1ccc(I)cc1 ZINC000061829887 212026587 /nfs/dbraw/zinc/02/65/87/212026587.db2.gz FUIXKGSZDOWXEX-GWCFXTLKSA-N 1 0 361.223 3.270 10 0 FGAERO COC[C@H](C)NC(=O)CC[N@H+]1Cc2ccccc2O[C@H](c2ccccc2)C1 ZINC000023129327 211377656 /nfs/dbraw/zinc/37/76/56/211377656.db2.gz IYXOHBDLNICFME-UWJYYQICSA-N 1 0 368.477 3.164 10 0 FGAERO C[N@H+]1[C@@H]2CC[C@H]1CC(CNC(=O)c1ccc(Br)cc1F)C2 ZINC000038029562 211359290 /nfs/dbraw/zinc/35/92/90/211359290.db2.gz AWHJHBQVDAEBPL-VGPLMAKISA-N 1 0 355.251 3.191 10 0 FGAERO CC[C@H](C)NC(=O)CC[NH2+][C@H]1CCOc2ccc(Br)cc21 ZINC000038014220 211351090 /nfs/dbraw/zinc/35/10/90/211351090.db2.gz UFAALWUMYMJMQF-FZMZJTMJSA-N 1 0 355.276 3.167 10 0 FGAERO COc1cnc2c(c1)CCc1cc(Cl)ccc1[C@]2(O)C1CC[NH+](C)CC1 ZINC000022054682 211338556 /nfs/dbraw/zinc/33/85/56/211338556.db2.gz RMNIHJQGNNEPGE-OAQYLSRUSA-N 1 0 372.896 3.420 10 0 in-vitro FGAERO C[C@@H]1C[C@@H](C)C[NH+](CCNC(=O)c2cc3ccc4cccnc4c3[nH]2)C1 ZINC000020575545 211287055 /nfs/dbraw/zinc/28/70/55/211287055.db2.gz OHPVSYMCQRIIFZ-HUUCEWRRSA-N 1 0 350.466 3.424 10 0 FGAERO C[C@H](Cc1cccs1)[NH2+]Cc1c(C(=O)N2CCCC2)nc2sccn12 ZINC000020455555 211281079 /nfs/dbraw/zinc/28/10/79/211281079.db2.gz UORGCXLFGQMKFN-CYBMUJFWSA-N 1 0 374.535 3.414 10 0 FGAERO CC[C@@H]1C[N@H+](Cc2cccc(OCCO)c2)Cc2cc(OC)ccc2O1 ZINC000014991483 211112761 /nfs/dbraw/zinc/11/27/61/211112761.db2.gz NHELQLRNUGLOQP-GOSISDBHSA-N 1 0 357.450 3.240 10 0 FGAERO CSCCC[N@@H+]1CC[C@]2(C1)CCCN(Cc1ccc(F)cc1)C2=O ZINC000014962933 211109136 /nfs/dbraw/zinc/10/91/36/211109136.db2.gz GZPLOKRIVPFACK-IBGZPJMESA-N 1 0 350.503 3.393 10 0 FGAERO Cn1nc(C(=O)NCc2cccs2)c2c1CC[C@H]([NH2+]C1CCCCC1)C2 ZINC000014533118 211095414 /nfs/dbraw/zinc/09/54/14/211095414.db2.gz CULCGQMAKFDERF-HNNXBMFYSA-N 1 0 372.538 3.191 10 0 FGAERO Cc1ccc(C[NH2+][C@@H]2CCc3c(c(C(=O)N(C)C)nn3CC(C)C)C2)cc1 ZINC000014542136 211093993 /nfs/dbraw/zinc/09/39/93/211093993.db2.gz TZDHZQMGBGOFAS-GOSISDBHSA-N 1 0 368.525 3.196 10 0 FGAERO CC1CC[NH+]([C@@H]2CCc3c(c(C(=O)NCc4cccs4)nn3C)C2)CC1 ZINC000014748917 211099694 /nfs/dbraw/zinc/09/96/94/211099694.db2.gz VMGXUPNZOYILJO-OAHLLOKOSA-N 1 0 372.538 3.001 10 0 FGAERO CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H]([NH+]1CCCCCC1)C2 ZINC000014733055 211098157 /nfs/dbraw/zinc/09/81/57/211098157.db2.gz WTRSZZVYUDUORG-KRWDZBQOSA-N 1 0 358.530 3.262 10 0 FGAERO CN(CCc1ccccn1)c1ncccc1C[NH2+]C1CSCCSC1 ZINC000012448541 210960159 /nfs/dbraw/zinc/96/01/59/210960159.db2.gz BCCOOZDZGVDYPA-UHFFFAOYSA-N 1 0 374.579 3.094 10 0 FGAERO Cc1ccc([C@]2(O)CN(c3ccc4c(c3)OCO4)C3=[N+]2CCCCC3)cc1 ZINC000027525839 220536034 /nfs/dbraw/zinc/53/60/34/220536034.db2.gz FATVRURYBQZPJO-JOCHJYFZSA-N 1 0 365.453 3.374 10 0 FGAERO CCCC1(C(=O)Nc2ccc(I)cc2)CC[NH2+]CC1 ZINC000062847986 221140765 /nfs/dbraw/zinc/14/07/65/221140765.db2.gz IOKRCTMXMLAUJX-UHFFFAOYSA-N 1 0 372.250 3.400 10 0 FGAERO Cc1nc(NC(=O)N2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)sc1C ZINC000190455637 257368297 /nfs/dbraw/zinc/36/82/97/257368297.db2.gz BNRATJOHSMVFAL-INIZCTEOSA-N 1 0 359.499 3.141 10 0 FGAERO Clc1ccccc1-c1nnc(NC[C@H]2CN(C3CC3)CCO2)s1 ZINC000302078538 257383407 /nfs/dbraw/zinc/38/34/07/257383407.db2.gz BAAVFQNXURBHJC-LBPRGKRZSA-N 1 0 350.875 3.134 10 0 FGAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)Nc3ncc(C(C)(C)C)s3)CC2)CCO1 ZINC000333386928 257386346 /nfs/dbraw/zinc/38/63/46/257386346.db2.gz BUKZUVAQRCTNTN-CYBMUJFWSA-N 1 0 366.531 3.158 10 0 FGAERO Clc1ccc(-c2nc(-c3ccncc3)cc(N3CC[NH2+]CC3)n2)cc1 ZINC000073662849 132376722 /nfs/dbraw/zinc/37/67/22/132376722.db2.gz WPUIOFCQRNHYHZ-UHFFFAOYSA-N 1 0 351.841 3.269 10 0 FGAERO Cc1ncccc1NC(=O)[C@@H]1C[C@@H]2CC[N@H+](Cc3cccs3)C[C@H]2O1 ZINC000096066240 222011298 /nfs/dbraw/zinc/01/12/98/222011298.db2.gz PCIRLLXKUFGVQG-JCGIZDLHSA-N 1 0 357.479 3.070 10 0 FGAERO CCN(Cc1cc(Br)c(Br)o1)[C@H]1CCC[NH2+]C1 ZINC000104366706 222355589 /nfs/dbraw/zinc/35/55/89/222355589.db2.gz LOXANRDCUCBXQN-VIFPVBQESA-N 1 0 366.097 3.379 10 0 FGAERO COc1ccc(Br)c(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000121835498 494870624 /nfs/dbraw/zinc/87/06/24/494870624.db2.gz YJHKNYMAPPWVGY-NHYWBVRUSA-N 1 0 370.291 3.308 10 0 FGAERO COC1(c2nc(-c3ccccn3)no2)CC[NH+](Cc2ccc(C)o2)CC1 ZINC000571185195 505674386 /nfs/dbraw/zinc/67/43/86/505674386.db2.gz OSGFZHCJNOUGJX-UHFFFAOYSA-N 1 0 354.410 3.171 10 0 FGAERO O[C@H](COCc1cccs1)C[N@@H+]1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000076075025 493817204 /nfs/dbraw/zinc/81/72/04/493817204.db2.gz TWRQKIDCYAZAEY-BJLQDIEVSA-N 1 0 361.507 3.214 10 0 FGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000068717527 493862807 /nfs/dbraw/zinc/86/28/07/493862807.db2.gz DWUQPTCAMAXHBN-FUHWJXTLSA-N 1 0 374.529 3.150 10 0 FGAERO C[NH+](C)C[C@H](NC(=O)Cc1csc(-c2ccccn2)n1)c1ccccc1 ZINC000031495994 493945865 /nfs/dbraw/zinc/94/58/65/493945865.db2.gz UEMITVGWHLTDGD-SFHVURJKSA-N 1 0 366.490 3.167 10 0 FGAERO COC(C(=O)OC[C@@H]1CCC[N@H+](C)C1)(c1ccccc1)c1ccccc1 ZINC000031622909 493952383 /nfs/dbraw/zinc/95/23/83/493952383.db2.gz WLGFQDADAOKLGW-GOSISDBHSA-N 1 0 353.462 3.462 10 0 FGAERO CCOCCOc1c(Cl)cccc1NC(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000063397461 494050587 /nfs/dbraw/zinc/05/05/87/494050587.db2.gz MIRURRFSJUCMDB-AWEZNQCLSA-N 1 0 369.893 3.361 10 0 FGAERO COCCC[N@@H+]1CCc2nc(SCc3ccc(F)cc3)[nH]c(=O)c2C1 ZINC000033287224 494057383 /nfs/dbraw/zinc/05/73/83/494057383.db2.gz ZYUUUDLDVIXKTG-UHFFFAOYSA-N 1 0 363.458 3.008 10 0 FGAERO C[NH+](C)CCN(Cc1cccs1)C(=O)N[C@H]1CCOc2ccccc21 ZINC000084412673 494071075 /nfs/dbraw/zinc/07/10/75/494071075.db2.gz RNFIQIIDRUEZEV-KRWDZBQOSA-N 1 0 359.495 3.345 10 0 FGAERO O[C@@H]1CCC[C@H]([NH2+]Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000037165527 494102720 /nfs/dbraw/zinc/10/27/20/494102720.db2.gz XGWMBNMLQALRBP-QWHCGFSZSA-N 1 0 356.260 3.004 10 0 FGAERO COc1ccc2c(c1)C[N@@H+](C[C@H](O)COCc1ccc(Cl)cc1)CC2 ZINC000065163737 494177002 /nfs/dbraw/zinc/17/70/02/494177002.db2.gz BTMMDKAYMYTLGJ-IBGZPJMESA-N 1 0 361.869 3.284 10 0 FGAERO CC[NH+](CC)[C@@H](C)CNC(=O)COc1ccc(Oc2ccccn2)cc1 ZINC000041925004 494187138 /nfs/dbraw/zinc/18/71/38/494187138.db2.gz UUAYMRDGACSMNY-INIZCTEOSA-N 1 0 357.454 3.099 10 0 FGAERO CCC[N@@H+]1CCCN(c2ccc(C(=O)N3CCc4ccccc43)cn2)CC1 ZINC000078251338 494262696 /nfs/dbraw/zinc/26/26/96/494262696.db2.gz UEXOPRGFRFCEGP-UHFFFAOYSA-N 1 0 364.493 3.207 10 0 FGAERO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3cccnn3)C2)cc1 ZINC000089732574 494350581 /nfs/dbraw/zinc/35/05/81/494350581.db2.gz FUCLMIQJELUTPK-VQIMIIECSA-N 1 0 362.481 3.290 10 0 FGAERO C[C@H]([NH2+]CC(=O)NC(=O)NCC(F)(F)F)c1ccc(Cl)c(Cl)c1 ZINC000015482440 494355989 /nfs/dbraw/zinc/35/59/89/494355989.db2.gz TWOBAUIKSPSIMQ-ZETCQYMHSA-N 1 0 372.174 3.032 10 0 FGAERO C[C@H](NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(Br)c1 ZINC000073630258 494404914 /nfs/dbraw/zinc/40/49/14/494404914.db2.gz ZYKHFCULRAQOTJ-MAZHCROVSA-N 1 0 366.303 3.388 10 0 FGAERO Cc1ccccc1CNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000073717182 494417326 /nfs/dbraw/zinc/41/73/26/494417326.db2.gz YIPGSQNCUUSTJA-JKSUJKDBSA-N 1 0 354.450 3.122 10 0 FGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N[C@@H](C)c1cccc(-n2cccn2)c1 ZINC000073722373 494417832 /nfs/dbraw/zinc/41/78/32/494417832.db2.gz NEFODVMUMSOFJE-WMZOPIPTSA-N 1 0 357.502 3.209 10 0 FGAERO COc1cc(C)c([C@@H](C)NC(=O)N[C@H](CC(C)C)C[NH+](C)C)cc1OC ZINC000079346959 494439935 /nfs/dbraw/zinc/43/99/35/494439935.db2.gz IBDJTBRCWUUAEP-HZPDHXFCSA-N 1 0 365.518 3.349 10 0 FGAERO Brc1ccc2ncc(Br)c(N3CC[NH2+]CC3)c2c1 ZINC000019721613 494458812 /nfs/dbraw/zinc/45/88/12/494458812.db2.gz JSYFAZCTWJCDNZ-UHFFFAOYSA-N 1 0 371.076 3.169 10 0 FGAERO COc1cc(CCC(=O)N[C@H](C[NH+](C)C)c2ccccc2)cc(OC)c1 ZINC000021638042 494501141 /nfs/dbraw/zinc/50/11/41/494501141.db2.gz ZJWKAQGBMBJQJR-HXUWFJFHSA-N 1 0 356.466 3.056 10 0 FGAERO COc1cc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)cc(OC)c1OC(F)F ZINC000079757524 494521072 /nfs/dbraw/zinc/52/10/72/494521072.db2.gz ZCVACVZQAPGCAO-CYBMUJFWSA-N 1 0 374.428 3.011 10 0 FGAERO C[C@H](NC(=O)N1CC[NH+](CC2CC2)CC1)c1cccc(Br)c1 ZINC000079987465 494563492 /nfs/dbraw/zinc/56/34/92/494563492.db2.gz QWIMEXCSBTXCCV-ZDUSSCGKSA-N 1 0 366.303 3.247 10 0 FGAERO COc1cc(F)c([C@@H](C)NC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)cc1OC ZINC000074611634 494566626 /nfs/dbraw/zinc/56/66/26/494566626.db2.gz ZVOLLAAQBTXAOU-RDTXWAMCSA-N 1 0 374.456 3.193 10 0 FGAERO O[C@@H]1C[C@H](c2cc(F)ccc2F)N(Cc2cnn(-c3ccccc3)c2)C1 ZINC000121074148 494581533 /nfs/dbraw/zinc/58/15/33/494581533.db2.gz TYAAESRCEISXNT-YLJYHZDGSA-N 1 0 355.388 3.458 10 0 FGAERO CCOCC[N@@H+]1CCN(C(=O)Nc2ccc3ncsc3c2)C[C@@H]1CC ZINC000131389358 494603196 /nfs/dbraw/zinc/60/31/96/494603196.db2.gz RMCGRPVNFWYXHA-HNNXBMFYSA-N 1 0 362.499 3.261 10 0 FGAERO CCOCC[N@@H+]1CCN(C(=O)Nc2ccc3ncsc3c2)C[C@H]1CC ZINC000131389147 494603267 /nfs/dbraw/zinc/60/32/67/494603267.db2.gz RMCGRPVNFWYXHA-OAHLLOKOSA-N 1 0 362.499 3.261 10 0 FGAERO CC1(C)C[C@@H](NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c2ccccc2O1 ZINC000121131668 494611055 /nfs/dbraw/zinc/61/10/55/494611055.db2.gz HOYIXMSPJDNMOD-FUHWJXTLSA-N 1 0 357.498 3.416 10 0 FGAERO CC(C)Cc1ccc([C@@H](C)NC(=O)NC2CCN(CC[NH+](C)C)CC2)cc1 ZINC000126222913 494677193 /nfs/dbraw/zinc/67/71/93/494677193.db2.gz JMACSIWHHOWGER-GOSISDBHSA-N 1 0 374.573 3.271 10 0 FGAERO CCCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000092708636 494722303 /nfs/dbraw/zinc/72/23/03/494722303.db2.gz WRHHWLHWNWDSKN-QGZVFWFLSA-N 1 0 354.454 3.150 10 0 FGAERO Cc1nnc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n1C ZINC000047540953 494730043 /nfs/dbraw/zinc/73/00/43/494730043.db2.gz PIUGUDIETSGMKN-UHFFFAOYSA-N 1 0 361.493 3.031 10 0 FGAERO Cn1cc([C@H]2CC[N@H+](CC(=O)N(Cc3ccccc3)c3ccccc3)C2)cn1 ZINC000116314194 494760384 /nfs/dbraw/zinc/76/03/84/494760384.db2.gz PMHTYHQAIGRRCH-FQEVSTJZSA-N 1 0 374.488 3.443 10 0 FGAERO COc1cc(C[N@@H+]2CCC[C@@H]2c2cnn(C)c2)ccc1OC(=O)C1CC1 ZINC000131874658 494761120 /nfs/dbraw/zinc/76/11/20/494761120.db2.gz GJFJEKBGAQZOPW-QGZVFWFLSA-N 1 0 355.438 3.081 10 0 FGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1ccccc1COC1CCOCC1 ZINC000132116610 494822812 /nfs/dbraw/zinc/82/28/12/494822812.db2.gz DSQCJXXRLPQGGE-GOSISDBHSA-N 1 0 362.514 3.088 10 0 FGAERO CCCOc1cc(C[NH2+][C@H]2CCCN(c3cccnn3)C2)ccc1OC ZINC000109070818 494827066 /nfs/dbraw/zinc/82/70/66/494827066.db2.gz YXMMCRVAMWUYQW-KRWDZBQOSA-N 1 0 356.470 3.033 10 0 FGAERO COC[C@H](C)n1c(C)cc(C(=O)C[N@@H+]2CCC[C@@H]2Cn2ccnc2C)c1C ZINC000132241319 494845160 /nfs/dbraw/zinc/84/51/60/494845160.db2.gz OJDRCAWSTGVLQY-QFBILLFUSA-N 1 0 372.513 3.165 10 0 FGAERO O=C(CSCc1ccccn1)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000109302828 494857270 /nfs/dbraw/zinc/85/72/70/494857270.db2.gz GKEKUAQSVRIPDM-HXUWFJFHSA-N 1 0 369.534 3.486 10 0 FGAERO CCCc1ccccc1NC(=O)N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000109381457 494867082 /nfs/dbraw/zinc/86/70/82/494867082.db2.gz PZPWYVILIBRJID-UHFFFAOYSA-N 1 0 369.513 3.464 10 0 FGAERO COc1c(C[NH+]2CCC([C@H](O)c3ccc(Cl)cc3)CC2)c(C)nn1C ZINC000093319626 494868648 /nfs/dbraw/zinc/86/86/48/494868648.db2.gz UWOJVRGRBQNAGX-GOSISDBHSA-N 1 0 363.889 3.336 10 0 FGAERO Cc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccc3c(c2)OCO3)o1 ZINC000027698374 494881774 /nfs/dbraw/zinc/88/17/74/494881774.db2.gz WABLXYYQZBFXFK-ALOPSCKCSA-N 1 0 368.433 3.242 10 0 FGAERO CC(C)Sc1ccc([C@@H](C)NC(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1 ZINC000117045531 494886530 /nfs/dbraw/zinc/88/65/30/494886530.db2.gz RTCXWQQPLVUOQT-NVXWUHKLSA-N 1 0 365.543 3.220 10 0 FGAERO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H](Cn3nc(C)nc3C)C2)o1 ZINC000121926033 494892048 /nfs/dbraw/zinc/89/20/48/494892048.db2.gz RKEGFXPERGBCCM-MRXNPFEDSA-N 1 0 354.458 3.099 10 0 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C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1Cl)c1ccc2c(c1)OCCO2 ZINC000192475343 712863564 /nfs/dbraw/zinc/86/35/64/712863564.db2.gz BEDNOAKQUVIXMD-UKRRQHHQSA-N 1 0 363.841 3.202 10 0 FGAERO C[C@@H](NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccs1)c1ccc2c(c1)OCCO2 ZINC000193220125 712885430 /nfs/dbraw/zinc/88/54/30/712885430.db2.gz LYVBLGSLSSGONB-RDBSUJKOSA-N 1 0 360.479 3.436 10 0 FGAERO Cc1nn(-c2ccccc2)c2sc(C(=O)N[C@@H]3CCC[NH2+][C@@H]3C)cc12 ZINC000193546064 712895425 /nfs/dbraw/zinc/89/54/25/712895425.db2.gz RMKOUKUEDCKEFK-CZUORRHYSA-N 1 0 354.479 3.266 10 0 FGAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)Cc1csc(-c2ccc(Cl)s2)n1 ZINC000193616642 712896947 /nfs/dbraw/zinc/89/69/47/712896947.db2.gz QEDDJLGDBJIEJK-MWLCHTKSSA-N 1 0 355.916 3.324 10 0 FGAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2cc3cc(Br)ccc3[nH]2)C1 ZINC000194652813 713529929 /nfs/dbraw/zinc/52/99/29/713529929.db2.gz KWLWDMDZQHVXTE-CYBMUJFWSA-N 1 0 350.260 3.145 10 0 FGAERO C[C@H](CC(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000237576606 713594044 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FGAERO CCn1c(=S)n(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)nc1-c1cccs1 ZINC000247052374 713635215 /nfs/dbraw/zinc/63/52/15/713635215.db2.gz LLAJZTJXKGUZJO-KGLIPLIRSA-N 1 0 363.556 3.288 10 0 FGAERO CC[C@@H]1CN(CCCc2ccc(C(F)(F)F)cc2)CC[N@@H+]1C[C@H](C)O ZINC000248341005 713647628 /nfs/dbraw/zinc/64/76/28/713647628.db2.gz ITUKNYPHNVUHJC-MAUKXSAKSA-N 1 0 358.448 3.415 10 0 FGAERO CC(C)(C)OC(=O)N1CC[C@](C)(C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)C1 ZINC000248672463 713656442 /nfs/dbraw/zinc/65/64/42/713656442.db2.gz UURDWOBOLXDVQW-PWIZWCRZSA-N 1 0 352.519 3.261 10 0 FGAERO C[C@H](Sc1ccc(Br)cc1)C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000248903272 713661066 /nfs/dbraw/zinc/66/10/66/713661066.db2.gz ZLVFGHJANHITGD-SUNKGSAMSA-N 1 0 357.317 3.186 10 0 FGAERO [NH3+][C@@H]1CCC[C@@H]2CN(c3ncc(Br)cc3C(F)(F)F)C[C@H]21 ZINC000261597303 713711583 /nfs/dbraw/zinc/71/15/83/713711583.db2.gz NMONFINCIDONGY-HLUHBDAQSA-N 1 0 364.209 3.427 10 0 FGAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)Nc1ccc(Cl)cc1NC(=O)c1ccco1 ZINC000261752791 713713818 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360.907 3.280 10 0 FGAERO Cc1cc([C@H](C)[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c(C)s1 ZINC000702815616 722411023 /nfs/dbraw/zinc/41/10/23/722411023.db2.gz OZZJDLYLGJTRLV-JGGQBBKZSA-N 1 0 354.516 3.243 10 0 FGAERO CC(=O)Nc1cccc2c1C[C@H]([NH+]1CCC(c3ccccc3)CC1)[C@@H](O)C2 ZINC000028235494 210242925 /nfs/dbraw/zinc/24/29/25/210242925.db2.gz RUVNANCEFYIYHW-GOTSBHOMSA-N 1 0 364.489 3.353 10 0 FGAERO CC[C@](O)(c1ccccc1)[C@@H](Cc1ccccc1)C[NH+]1CCN(C)CC1 ZINC000022040921 210237555 /nfs/dbraw/zinc/23/75/55/210237555.db2.gz XGYLNPIJMWASIB-GOTSBHOMSA-N 1 0 352.522 3.391 10 0 FGAERO O=c1c(-c2ccccc2)c(OCC[NH+]2CCCCCC2)nc2cnccn21 ZINC000003620528 210228620 /nfs/dbraw/zinc/22/86/20/210228620.db2.gz HKAQLOULHKCDDL-UHFFFAOYSA-N 1 0 364.449 3.011 10 0 FGAERO CC(C)(C)c1ccc(OCC(=O)N2CC[NH+]=Cc3cc(N)ccc32)cc1 ZINC000073642420 211689041 /nfs/dbraw/zinc/68/90/41/211689041.db2.gz UPEVUKZCNWWYOM-UHFFFAOYSA-N 1 0 351.450 3.411 10 0 FGAERO COc1cccc2c(S(=O)(=O)c3ccccc3)cn(C[C@H]3CCC[NH2+]3)c21 ZINC000038424007 211445023 /nfs/dbraw/zinc/44/50/23/211445023.db2.gz UQOGORAYLNWRCF-OAHLLOKOSA-N 1 0 370.474 3.235 10 0 FGAERO CC[N@H+](Cc1ccncc1)[C@H]1CCCN(C(=O)c2cc(C(C)C)no2)C1 ZINC000023153604 211378681 /nfs/dbraw/zinc/37/86/81/211378681.db2.gz ZQIQMLNWLYJAJD-KRWDZBQOSA-N 1 0 356.470 3.320 10 0 FGAERO CO[C@@H](C[NH+]1CCN(CC[C@H](O)c2ccccc2)CC1)c1ccccc1 ZINC000022027602 211335390 /nfs/dbraw/zinc/33/53/90/211335390.db2.gz QSRHLIUOSXVKTG-VXKWHMMOSA-N 1 0 354.494 3.115 10 0 in-man FGAERO Clc1nc(N2CCCC2)sc1CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000019839432 211258122 /nfs/dbraw/zinc/25/81/22/211258122.db2.gz UCEGVFRRAQHWND-AWEZNQCLSA-N 1 0 354.951 3.457 10 0 FGAERO CC(C)Cn1nc(C(=O)N(C)C)c2c1CC[C@H]([NH2+]CC1CCCCC1)C2 ZINC000014538584 211094435 /nfs/dbraw/zinc/09/44/35/211094435.db2.gz NPNMTWGQRGFWHH-KRWDZBQOSA-N 1 0 360.546 3.268 10 0 FGAERO CCn1nc(C(=O)N(C)Cc2ccco2)c2c1CC[C@H]([NH+]1CCCCC1)C2 ZINC000014540141 211093761 /nfs/dbraw/zinc/09/37/61/211093761.db2.gz HOVZUMMHLOZMJA-INIZCTEOSA-N 1 0 370.497 3.111 10 0 FGAERO CCCC[NH2+][C@H]1CCc2c(c(C(=O)N(C)C)nn2CC2CCCCC2)C1 ZINC000014540768 211093805 /nfs/dbraw/zinc/09/38/05/211093805.db2.gz NDSZUILGJGNKJD-KRWDZBQOSA-N 1 0 360.546 3.412 10 0 FGAERO CCCn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([NH+]1CCCCCC1)C2 ZINC000014755137 211101096 /nfs/dbraw/zinc/10/10/96/211101096.db2.gz DANWCDVKZFCSRQ-KRWDZBQOSA-N 1 0 358.530 3.262 10 0 FGAERO CC(C)Cn1nc(C(=O)N(C)C)c2c1CC[C@H]([N@H+](C)Cc1ccccc1)C2 ZINC000014755434 211100610 /nfs/dbraw/zinc/10/06/10/211100610.db2.gz JCALGYYGMPPPFD-SFHVURJKSA-N 1 0 368.525 3.230 10 0 FGAERO [NH3+][C@H](CC(=O)Nc1cccc(I)c1)c1ccccc1 ZINC000020479418 220327294 /nfs/dbraw/zinc/32/72/94/220327294.db2.gz RRUPWHHTFMVUCK-CQSZACIVSA-N 1 0 366.202 3.320 10 0 FGAERO O=C(NCC[NH+]1CCCC1)c1ccc2nc(-c3ccc(Cl)cc3)cn2c1 ZINC000065229920 221182430 /nfs/dbraw/zinc/18/24/30/221182430.db2.gz RGYVJGKALQZHQL-UHFFFAOYSA-N 1 0 368.868 3.480 10 0 FGAERO CC[C@H](C)[C@H]([NH3+])C(=O)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000035266513 257337802 /nfs/dbraw/zinc/33/78/02/257337802.db2.gz ZCAIZXUVFDWOQY-KWQFWETISA-N 1 0 369.288 3.280 10 0 FGAERO C[C@H](Cc1ccccc1F)C(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190580754 257369234 /nfs/dbraw/zinc/36/92/34/257369234.db2.gz IJWYYLDTGNHTNB-MJGOQNOKSA-N 1 0 369.484 3.380 10 0 FGAERO Cc1cc(N)c(NC(=O)c2ccccc2Cl)cc1N1CC[NH+](C)CC1 ZINC000226330991 132250324 /nfs/dbraw/zinc/25/03/24/132250324.db2.gz GTRRPDLMOURHPO-UHFFFAOYSA-N 1 0 358.873 3.235 10 0 FGAERO CCCOc1ccc(C(=O)Nc2cc(N)ccc2N2CC[NH+](C)CC2)cc1 ZINC000226259956 132374801 /nfs/dbraw/zinc/37/48/01/132374801.db2.gz LFPROHFNTHVADT-UHFFFAOYSA-N 1 0 368.481 3.062 10 0 FGAERO c1cnn(-c2cccc(C[NH+]3CCN(c4ncnc5ccccc54)CC3)c2)c1 ZINC000072123818 136142189 /nfs/dbraw/zinc/14/21/89/136142189.db2.gz KHAIQGIAXGQTJJ-UHFFFAOYSA-N 1 0 370.460 3.138 10 0 FGAERO CCc1cnc(N2C[C@H]3[C@@H](C2)CCC[C@H]3[N@H+](C)Cc2ccccn2)nc1 ZINC000096063727 222010775 /nfs/dbraw/zinc/01/07/75/222010775.db2.gz VIWBXPJIQKDUJB-YZGWKJHDSA-N 1 0 351.498 3.171 10 0 FGAERO CC[NH+](CC)[C@@H](C)CNC(=O)Cc1csc(Cc2ccc(F)cc2)n1 ZINC000068504174 493830045 /nfs/dbraw/zinc/83/00/45/493830045.db2.gz ZJXWHLVWTMFGGG-AWEZNQCLSA-N 1 0 363.502 3.262 10 0 FGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N[C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000068717530 493862591 /nfs/dbraw/zinc/86/25/91/493862591.db2.gz DWUQPTCAMAXHBN-AEFFLSMTSA-N 1 0 374.529 3.150 10 0 FGAERO Cc1noc2ncc(C(=O)NC[C@H]3CCCC[N@@H+]3Cc3ccccc3)cc12 ZINC000062228461 494005695 /nfs/dbraw/zinc/00/56/95/494005695.db2.gz IIQQEMHHGJRPGV-GOSISDBHSA-N 1 0 364.449 3.316 10 0 FGAERO C[NH+](C)C[C@@H](NC(=O)CSc1nc2ccccc2o1)c1ccccc1 ZINC000052555729 494039775 /nfs/dbraw/zinc/03/97/75/494039775.db2.gz ZRWAFXVNQUVTFC-MRXNPFEDSA-N 1 0 355.463 3.339 10 0 FGAERO CC[N@@H+]1CCC[C@@H](NC(=O)N(C)Cc2ccc(Br)s2)C1 ZINC000052592627 494044866 /nfs/dbraw/zinc/04/48/66/494044866.db2.gz RFQLAWQQWYBAQP-LLVKDONJSA-N 1 0 360.321 3.136 10 0 FGAERO C[C@@H]([NH2+][C@H](C)c1ccc2c(c1)OCCO2)C(=O)Nc1cc(F)ccc1F ZINC000052658474 494051083 /nfs/dbraw/zinc/05/10/83/494051083.db2.gz AOIJPQBALWPJOF-VXGBXAGGSA-N 1 0 362.376 3.414 10 0 FGAERO C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCO2)C(=O)Nc1ccc(F)c(F)c1 ZINC000052658479 494051472 /nfs/dbraw/zinc/05/14/72/494051472.db2.gz TUHDDFNFDZXANU-RYUDHWBXSA-N 1 0 362.376 3.414 10 0 FGAERO CCOc1c(Br)cc(C[NH2+][C@H]2CCC[C@H](O)C2)cc1OC ZINC000037166115 494102770 /nfs/dbraw/zinc/10/27/70/494102770.db2.gz FYVQEXXAGLQSRE-STQMWFEESA-N 1 0 358.276 3.250 10 0 FGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cccc(OCc2cccnc2)c1 ZINC000072012947 494115772 /nfs/dbraw/zinc/11/57/72/494115772.db2.gz VIRDYXKCESJEAC-LJQANCHMSA-N 1 0 355.482 3.367 10 0 FGAERO C[N@H+](C[C@H](O)COC(C)(C)C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000054339140 494222470 /nfs/dbraw/zinc/22/24/70/494222470.db2.gz XWILGSWZUGRKPR-KNXALSJPSA-N 1 0 362.297 3.059 10 0 FGAERO CCc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000089732344 494350742 /nfs/dbraw/zinc/35/07/42/494350742.db2.gz SREDRAUIQMHADK-SJLPKXTDSA-N 1 0 367.497 3.015 10 0 FGAERO Cc1ncsc1C[N@H+](C)C[C@H](O)COc1cccc(Br)c1 ZINC000066562582 494354699 /nfs/dbraw/zinc/35/46/99/494354699.db2.gz QTGLHYWHJWJGFO-ZDUSSCGKSA-N 1 0 371.300 3.086 10 0 FGAERO C[C@@H](C[NH+]1CCCCC1)NC(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000073665288 494409835 /nfs/dbraw/zinc/40/98/35/494409835.db2.gz CHPIJRLSVSJUBU-IRXDYDNUSA-N 1 0 355.486 3.107 10 0 FGAERO C[C@@H](NC(=O)NCc1cccc(C[NH+](C)C)c1)c1ccc2c(c1)OCCO2 ZINC000045640141 494447725 /nfs/dbraw/zinc/44/77/25/494447725.db2.gz HAEAVXVNLCQAGT-OAHLLOKOSA-N 1 0 369.465 3.080 10 0 FGAERO Fc1ccc(COc2cccc(C[N@@H+]3CC[C@@H](N4CCOCC4)C3)c2)cc1 ZINC000121077150 494583513 /nfs/dbraw/zinc/58/35/13/494583513.db2.gz OTTUCEXLFFBDCI-OAQYLSRUSA-N 1 0 370.468 3.311 10 0 FGAERO C[NH+](C)C[C@@H](NC(=O)N[C@@H]1CCCN(c2ccccc2)C1)c1ccccc1 ZINC000115789820 494621077 /nfs/dbraw/zinc/62/10/77/494621077.db2.gz GXVKOLKLSYXYDU-TZIWHRDSSA-N 1 0 366.509 3.258 10 0 FGAERO O[C@@H](COCc1ccccc1)C[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000108492870 494722529 /nfs/dbraw/zinc/72/25/29/494722529.db2.gz ZCLGCYRFCGDZQX-FGZHOGPDSA-N 1 0 373.468 3.149 10 0 FGAERO CCOCC[N@@H+]1CCN(C(=O)Nc2cc(F)ccc2Cl)C[C@H]1CC ZINC000131830764 494747172 /nfs/dbraw/zinc/74/71/72/494747172.db2.gz SJNLRHYZICPONX-CQSZACIVSA-N 1 0 357.857 3.444 10 0 FGAERO COc1ccc(-c2n[nH]cc2C[NH+]2CCC(c3ccnn3C)CC2)cc1 ZINC000092810591 494755664 /nfs/dbraw/zinc/75/56/64/494755664.db2.gz CDFKDVLOIDQHDB-UHFFFAOYSA-N 1 0 351.454 3.198 10 0 FGAERO CCn1cc(C2CC[NH+](Cc3ccc(O[C@@H](C)C(=O)OC)cc3)CC2)cn1 ZINC000092809375 494755998 /nfs/dbraw/zinc/75/59/98/494755998.db2.gz JYXYGLLBRMBGHW-INIZCTEOSA-N 1 0 371.481 3.223 10 0 FGAERO COc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@H](CNc3ccccn3)C2)cc1 ZINC000092812933 494757424 /nfs/dbraw/zinc/75/74/24/494757424.db2.gz BLXIFNIVZYJUIU-MRXNPFEDSA-N 1 0 363.465 3.414 10 0 FGAERO CCC[C@H](NC(=O)[C@@H](C)[N@@H+]1CC[C@H](c2cnn(C)c2)C1)c1ccccc1 ZINC000116311244 494758593 /nfs/dbraw/zinc/75/85/93/494758593.db2.gz KKKAENQAATYIEI-KPFFTGBYSA-N 1 0 354.498 3.256 10 0 FGAERO COc1cc(OC)c(OC)cc1C[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000092812696 494759655 /nfs/dbraw/zinc/75/96/55/494759655.db2.gz BGGJSXSYWIJMQE-OAHLLOKOSA-N 1 0 357.454 3.041 10 0 FGAERO Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[N@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116315250 494760167 /nfs/dbraw/zinc/76/01/67/494760167.db2.gz KXDMTEXSOXKYKU-PXNSSMCTSA-N 1 0 371.525 3.255 10 0 FGAERO Cc1nc(C[C@H]2CCC[N@H+](Cc3ccc(Oc4cnccn4)cc3)C2)no1 ZINC000092814266 494762089 /nfs/dbraw/zinc/76/20/89/494762089.db2.gz YTVSWQQJKSCIPT-QGZVFWFLSA-N 1 0 365.437 3.415 10 0 FGAERO CCOCCN1CCN(C(=O)Nc2c(C)noc2-c2ccccc2)C[C@H]1C ZINC000126548742 494786100 /nfs/dbraw/zinc/78/61/00/494786100.db2.gz PRQAZAHNPDSICN-OAHLLOKOSA-N 1 0 372.469 3.225 10 0 FGAERO C[C@@H](NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1)c1ccc(Cl)s1 ZINC000093050162 494815489 /nfs/dbraw/zinc/81/54/89/494815489.db2.gz KHKKKYZYNDKUHN-GFCCVEGCSA-N 1 0 364.902 3.039 10 0 FGAERO Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000116566918 494817041 /nfs/dbraw/zinc/81/70/41/494817041.db2.gz LJLXDKCYEUMGBH-IRXDYDNUSA-N 1 0 363.550 3.250 10 0 FGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nc2cc(C(F)(F)F)ccc2n1C ZINC000126693676 494820752 /nfs/dbraw/zinc/82/07/52/494820752.db2.gz BVOMMNMYULDTLI-GXTWGEPZSA-N 1 0 352.404 3.261 10 0 FGAERO COc1ccc([C@H](C)NC(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc1OC ZINC000121614865 494821245 /nfs/dbraw/zinc/82/12/45/494821245.db2.gz OEQXSKNEFRGTBA-HOCLYGCPSA-N 1 0 351.491 3.040 10 0 FGAERO COCCC[NH+]1CCC(NC(=O)N[C@H](C)c2ccc(Cl)s2)CC1 ZINC000093126256 494828942 /nfs/dbraw/zinc/82/89/42/494828942.db2.gz FQYHBWZLBVCUPZ-GFCCVEGCSA-N 1 0 359.923 3.263 10 0 FGAERO C[NH+](C)CCOc1ccc(CNC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000109088521 494829727 /nfs/dbraw/zinc/82/97/27/494829727.db2.gz IRYKKGGTJJGCIO-QZTJIDSGSA-N 1 0 374.431 3.325 10 0 FGAERO CCn1cc(CN2CCC[N@H+](Cc3cc4cc(OC)ccc4o3)CC2)cn1 ZINC000121652743 494831703 /nfs/dbraw/zinc/83/17/03/494831703.db2.gz NPAMOPZWBVWNKK-UHFFFAOYSA-N 1 0 368.481 3.366 10 0 FGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N(C)Cc1ccccc1N1CCCC1 ZINC000121655102 494831790 /nfs/dbraw/zinc/83/17/90/494831790.db2.gz PXPHYMJCIXPORZ-LJQANCHMSA-N 1 0 360.546 3.405 10 0 FGAERO CC(C)c1ccc(-c2nc(C(=O)N3CCO[C@@H](C[NH+](C)C)C3)cs2)cc1 ZINC000116785762 494853781 /nfs/dbraw/zinc/85/37/81/494853781.db2.gz KBKOPXHVVBJOSI-KRWDZBQOSA-N 1 0 373.522 3.336 10 0 FGAERO CCCOc1cc(C[N@@H+]2CCCN(c3ccc(C)nn3)CC2)ccc1OC ZINC000093272100 494853805 /nfs/dbraw/zinc/85/38/05/494853805.db2.gz VSAVTAALDBRIRM-UHFFFAOYSA-N 1 0 370.497 3.295 10 0 FGAERO Cc1nn(-c2ccccc2)cc1C[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000093272449 494854041 /nfs/dbraw/zinc/85/40/41/494854041.db2.gz SNMUMKCRGIVKQR-UHFFFAOYSA-N 1 0 362.481 3.072 10 0 FGAERO COC(=O)c1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)s1 ZINC000109303962 494857517 /nfs/dbraw/zinc/85/75/17/494857517.db2.gz SWODXCSLGJCKFI-MRXNPFEDSA-N 1 0 372.490 3.319 10 0 FGAERO Cc1ccccc1[C@H](C)NC(=O)N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000109390916 494868238 /nfs/dbraw/zinc/86/82/38/494868238.db2.gz BDMJSNBRMZYWMQ-SFHVURJKSA-N 1 0 369.513 3.059 10 0 FGAERO CC(C)Sc1ccc([C@H](C)NC(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1 ZINC000117045532 494886931 /nfs/dbraw/zinc/88/69/31/494886931.db2.gz RTCXWQQPLVUOQT-DOTOQJQBSA-N 1 0 365.543 3.220 10 0 FGAERO CC[C@@H]1CN(C(=O)c2ccc(OC)c3ccccc23)CC[N@@H+]1CCOC ZINC000117299685 494908994 /nfs/dbraw/zinc/90/89/94/494908994.db2.gz MRICIEAICBVVRH-MRXNPFEDSA-N 1 0 356.466 3.031 10 0 FGAERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3cnn(-c4ccc(F)cc4)c3)C2)n1 ZINC000122031826 494912639 /nfs/dbraw/zinc/91/26/39/494912639.db2.gz URGMPEXAYFVCIJ-QGZVFWFLSA-N 1 0 368.460 3.132 10 0 FGAERO Cn1nccc1C1CC[NH+]([C@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 ZINC000132706540 494912992 /nfs/dbraw/zinc/91/29/92/494912992.db2.gz LUYQGENWYDNZKG-SFHVURJKSA-N 1 0 358.873 3.058 10 0 FGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N[C@@H](c1ccco1)c1ccccc1OC ZINC000132736938 494917197 /nfs/dbraw/zinc/91/71/97/494917197.db2.gz ZGGIVMDECYMCSX-HNAYVOBHSA-N 1 0 359.470 3.407 10 0 FGAERO CC[C@@H]1CN(C(=O)Nc2cc(F)ccc2OC(C)C)CC[N@@H+]1CCOC ZINC000117453623 494921664 /nfs/dbraw/zinc/92/16/64/494921664.db2.gz QOCUINJZURJLTE-MRXNPFEDSA-N 1 0 367.465 3.187 10 0 FGAERO COc1c(C[N@@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)c(C)nn1C ZINC000093840967 494926167 /nfs/dbraw/zinc/92/61/67/494926167.db2.gz JEEQJBJSFUBPBF-AWEZNQCLSA-N 1 0 360.527 3.452 10 0 FGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(Br)c(Cl)c1 ZINC000127342572 494930653 /nfs/dbraw/zinc/93/06/53/494930653.db2.gz BXINIVGUBBMSDZ-CMPLNLGQSA-N 1 0 357.679 3.411 10 0 FGAERO Cc1cc(Cl)ccc1C(=O)N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000122167615 494934704 /nfs/dbraw/zinc/93/47/04/494934704.db2.gz GJUQNSMYXQDIDX-UHFFFAOYSA-N 1 0 360.889 3.082 10 0 FGAERO O[C@@H]1CCCC[C@@H]1[NH+]1CCC(Nc2ccc(Br)cn2)CC1 ZINC000132934658 494945486 /nfs/dbraw/zinc/94/54/86/494945486.db2.gz JVOIEQCLGRCOCP-LSDHHAIUSA-N 1 0 354.292 3.024 10 0 FGAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2cc(NC(=O)OC(C)(C)C)ccc2F)C1 ZINC000118043932 494974119 /nfs/dbraw/zinc/97/41/19/494974119.db2.gz PFRQYDSJPPZRJH-CYBMUJFWSA-N 1 0 366.437 3.341 10 0 FGAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1OC1CCC1 ZINC000118265738 494988304 /nfs/dbraw/zinc/98/83/04/494988304.db2.gz AFVFSJVKRDIXSC-FQEVSTJZSA-N 1 0 352.478 3.407 10 0 FGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1F)CC2 ZINC000127872704 495010413 /nfs/dbraw/zinc/01/04/13/495010413.db2.gz FMRDBTRNWRVFFD-CMPLNLGQSA-N 1 0 367.266 3.408 10 0 FGAERO COc1cc(F)c(NC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)cc1OC ZINC000122765835 495028398 /nfs/dbraw/zinc/02/83/98/495028398.db2.gz DNSDRQDMONMQBR-CYBMUJFWSA-N 1 0 353.438 3.085 10 0 FGAERO C[NH+](C)C[C@H]1CN(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CCO1 ZINC000118792085 495035756 /nfs/dbraw/zinc/03/57/56/495035756.db2.gz IBAARVHJJNRGEP-NSHDSACASA-N 1 0 365.783 3.153 10 0 FGAERO C[C@H](C(=O)N(C)C[C@H](c1cccs1)N1CCOCC1)c1ccccc1 ZINC000128055849 495038316 /nfs/dbraw/zinc/03/83/16/495038316.db2.gz GDQKSNRILWZHOB-FUHWJXTLSA-N 1 0 358.507 3.384 10 0 FGAERO C[C@H](C[NH2+]Cc1cn(Cc2ccccc2)nc1C(C)(C)C)N1CCOCC1 ZINC000123053779 495073720 /nfs/dbraw/zinc/07/37/20/495073720.db2.gz ZYKRPCFJIIFQTA-GOSISDBHSA-N 1 0 370.541 3.039 10 0 FGAERO CCCC(=O)N[C@@H]1CCCN(Cc2nn(-c3ccccc3)c3c2CCC3)C1 ZINC000101563117 495077312 /nfs/dbraw/zinc/07/73/12/495077312.db2.gz RBIWUBZMVADIAO-QGZVFWFLSA-N 1 0 366.509 3.242 10 0 FGAERO CCO[C@H]1C[C@@H](N(C)C(=O)NC2CCC(C[NH+](C)C)CC2)C12CCCC2 ZINC000119096742 495091483 /nfs/dbraw/zinc/09/14/83/495091483.db2.gz FKDBRULXOXEPDH-GMNCBBECSA-N 1 0 365.562 3.486 10 0 FGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000128517134 495109852 /nfs/dbraw/zinc/10/98/52/495109852.db2.gz YJMGTIHZBKVISF-DNVCBOLYSA-N 1 0 374.529 3.372 10 0 FGAERO Cc1c(C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)cnn1-c1cc(C)ccc1C ZINC000123336833 495116840 /nfs/dbraw/zinc/11/68/40/495116840.db2.gz BWSVFNSTXPOHDO-FUHWJXTLSA-N 1 0 352.482 3.106 10 0 FGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(C(=O)Nc2ccccc2)cc1 ZINC000119209420 495118073 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C[C@@H]([NH2+]CC(=O)Nc1cccnc1Cl)c1cccc(-n2ccnc2)c1 ZINC000189910790 712803386 /nfs/dbraw/zinc/80/33/86/712803386.db2.gz GFCYJZYEHCXMPA-CYBMUJFWSA-N 1 0 355.829 3.210 10 0 FGAERO CN(CC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](CCc2cccs2)CC1 ZINC000190500547 712816030 /nfs/dbraw/zinc/81/60/30/712816030.db2.gz AWRARWAKBDIERN-INIZCTEOSA-N 1 0 352.544 3.419 10 0 FGAERO COC(=O)C1CCC([NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)[C@H]2C)CC1 ZINC000192448263 712862918 /nfs/dbraw/zinc/86/29/18/712862918.db2.gz SCAMWQUJKYBJOC-SLTXQBBLSA-N 1 0 354.491 3.096 10 0 FGAERO Cc1c2cc(Br)ccc2oc1C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000237832430 713597653 /nfs/dbraw/zinc/59/76/53/713597653.db2.gz OBRXELXVQUXGBT-ZWNOBZJWSA-N 1 0 351.244 3.361 10 0 FGAERO CCOCC[N@@H+]1CCN(C[C@@H](O)c2ccc(Cl)cc2Cl)C[C@H]1C ZINC000245611288 713608290 /nfs/dbraw/zinc/60/82/90/713608290.db2.gz BREBUXQWEFQGEU-CXAGYDPISA-N 1 0 361.313 3.069 10 0 FGAERO CC(C)(C)OC[C@@H](O)C[N@@H+](Cc1ccccc1)C[C@@H](O)c1cccs1 ZINC000246150135 713618408 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3.388 10 0 FGAERO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2cc3ccccc3s2)C12CCOCC2 ZINC000248993663 713662134 /nfs/dbraw/zinc/66/21/34/713662134.db2.gz LQYBUTAWVZQQGA-AYOQOUSVSA-N 1 0 361.507 3.499 10 0 FGAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1ccc(Br)cc1C(F)(F)F ZINC000261778588 713714208 /nfs/dbraw/zinc/71/42/08/713714208.db2.gz PIWHDEUXFMNNNB-RDDDGLTNSA-N 1 0 351.166 3.030 10 0 FGAERO C[NH2+][C@H](C)CNC(=O)c1ccc(OCc2ccccc2Cl)c(OC)c1 ZINC000261863730 713715539 /nfs/dbraw/zinc/71/55/39/713715539.db2.gz YUVYSRODTPXTNK-CYBMUJFWSA-N 1 0 362.857 3.265 10 0 FGAERO CCCOc1c(Br)cc(CN2C[C@H](C)[C@H]([NH3+])C2)cc1OCC ZINC000261931462 713716098 /nfs/dbraw/zinc/71/60/98/713716098.db2.gz CVTXNXXFLMWQSZ-SWLSCSKDSA-N 1 0 371.319 3.416 10 0 FGAERO Cc1cc(N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)ncc1Br ZINC000630092083 716388199 /nfs/dbraw/zinc/38/81/99/716388199.db2.gz JQOHQHRQRFDWTE-VHSXEESVSA-N 1 0 352.198 3.116 10 0 FGAERO Cc1cc(Br)cnc1N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000630528263 716470417 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3.115 10 0 FGAERO COc1ccc2c(c1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3 ZINC000014725357 210181167 /nfs/dbraw/zinc/18/11/67/210181167.db2.gz NMGKOLWJHJBERW-AWEZNQCLSA-N 1 0 355.434 3.473 10 0 FGAERO Cc1ccc(NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)cc1I ZINC000070575049 210063433 /nfs/dbraw/zinc/06/34/33/210063433.db2.gz ABEKKSKMKCSQHU-MNOVXSKESA-N 1 0 358.223 3.056 10 0 FGAERO CC(C)NC(=O)[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C(F)(F)F)CN1C(C)C ZINC000023362174 211387888 /nfs/dbraw/zinc/38/78/88/211387888.db2.gz GCYWEHMVSBIUPX-WBVHZDCISA-N 1 0 371.447 3.171 10 0 FGAERO C[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)c2noc3c2CCCC3)C1 ZINC000015062666 211116314 /nfs/dbraw/zinc/11/63/14/211116314.db2.gz XAOBXDSAFAAPOF-QGZVFWFLSA-N 1 0 353.466 3.290 10 0 FGAERO CNC(=O)[C@@H](CC(C)C)[NH2+][C@H](C)c1ccc(I)cc1 ZINC000037320706 211125913 /nfs/dbraw/zinc/12/59/13/211125913.db2.gz PJUDZGBIRIHOGM-BXUZGUMPSA-N 1 0 374.266 3.103 10 0 FGAERO CC(C)Cn1nc(C(=O)N(C)C)c2c1CC[C@H]([NH2+]Cc1cccc(F)c1)C2 ZINC000014535953 211095295 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CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000035266514 257337748 /nfs/dbraw/zinc/33/77/48/257337748.db2.gz ZCAIZXUVFDWOQY-LDYMZIIASA-N 1 0 369.288 3.280 10 0 FGAERO CCc1c(C)nc(-c2ccc(C(F)(F)F)cc2)nc1N1CC[NH2+]CC1 ZINC000006735046 132260985 /nfs/dbraw/zinc/26/09/85/132260985.db2.gz VJHRFSBNFYPCFD-UHFFFAOYSA-N 1 0 350.388 3.443 10 0 FGAERO [NH3+]C[C@@](O)(c1ccc(Cl)cc1)c1ccc(I)cc1 ZINC000095935052 221974202 /nfs/dbraw/zinc/97/42/02/221974202.db2.gz KJLGEVCAQUPFPX-CQSZACIVSA-N 1 0 373.621 3.139 10 0 FGAERO C[C@](O)(C[NH+]1CCC(C(=O)NCCc2cccs2)CC1)c1ccccc1 ZINC000075827919 493782264 /nfs/dbraw/zinc/78/22/64/493782264.db2.gz XHLFPFLABXIDFW-NRFANRHFSA-N 1 0 372.534 3.027 10 0 FGAERO C[C@@H](NC(=O)N[C@@H](C[NH+](C)C)c1ccccc1)c1ccc2c(c1)OCO2 ZINC000048216971 493803623 /nfs/dbraw/zinc/80/36/23/493803623.db2.gz QBHVNRDGUSCUEA-PBHICJAKSA-N 1 0 355.438 3.078 10 0 FGAERO CC(C)(C)OC[C@H](O)C[N@H+](CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000069250547 493942193 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CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(NC(=O)C(C)C)cc2)C12CCOCC2 ZINC000186220643 495901492 /nfs/dbraw/zinc/90/14/92/495901492.db2.gz HIBIGDSYRZGTRW-RBUKOAKNSA-N 1 0 360.498 3.345 10 0 FGAERO COc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](Cn4cncn4)C3)cs2)cc1 ZINC000171504675 495902678 /nfs/dbraw/zinc/90/26/78/495902678.db2.gz HMRUJPLTBKDENI-OAHLLOKOSA-N 1 0 369.494 3.322 10 0 FGAERO C[C@H](OC[C@H](O)C[N@@H+]1CCC[C@@H]1c1cnn(C)c1)c1ccc(Cl)cc1 ZINC000171504532 495903052 /nfs/dbraw/zinc/90/30/52/495903052.db2.gz CSDHNFJYNKEPOY-GDIGMMSISA-N 1 0 363.889 3.349 10 0 FGAERO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(C(=O)N(CC)CC)cc2)C12CCOCC2 ZINC000186229688 495905598 /nfs/dbraw/zinc/90/55/98/495905598.db2.gz BWKDGEXFNXNOEW-VQTJNVASSA-N 1 0 374.525 3.232 10 0 FGAERO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H]2c3cc(C)ccc3C[C@H]2C)c1 ZINC000180231006 495916945 /nfs/dbraw/zinc/91/69/45/495916945.db2.gz UHCLEUFWVWWRCM-QEEYODRMSA-N 1 0 358.507 3.487 10 0 FGAERO C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)C1 ZINC000151719672 495927902 /nfs/dbraw/zinc/92/79/02/495927902.db2.gz NTCFPCMVXYERIE-SJLPKXTDSA-N 1 0 357.498 3.464 10 0 FGAERO CC(C)[N@H+]1C[C@H](NC(=O)CCc2ccccc2Br)[C@@H](C)C1 ZINC000155372028 495936896 /nfs/dbraw/zinc/93/68/96/495936896.db2.gz KYCAHOVEAHSSNL-BBRMVZONSA-N 1 0 353.304 3.227 10 0 FGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(F)cc1Br ZINC000177128683 495938980 /nfs/dbraw/zinc/93/89/80/495938980.db2.gz WNIKRKPDCSFECI-ZYHUDNBSSA-N 1 0 356.239 3.289 10 0 FGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000155384383 495940486 /nfs/dbraw/zinc/94/04/86/495940486.db2.gz FZARKJIUTHBCHQ-CVEARBPZSA-N 1 0 357.420 3.286 10 0 FGAERO CCO[C@@H]1C[C@H]([NH2+]CCCOCc2ccc(OC)cc2)C12CCOCC2 ZINC000186312059 495941728 /nfs/dbraw/zinc/94/17/28/495941728.db2.gz BUGDOYSDRLAVQP-VQTJNVASSA-N 1 0 363.498 3.166 10 0 FGAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc(OCC3CCOCC3)cc2)C1 ZINC000151787238 495948437 /nfs/dbraw/zinc/94/84/37/495948437.db2.gz YEZYNPGCKWPGNM-GOSISDBHSA-N 1 0 361.486 3.098 10 0 FGAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)C1 ZINC000180317987 495948993 /nfs/dbraw/zinc/94/89/93/495948993.db2.gz HWUNOPSPVWAZHT-HNNXBMFYSA-N 1 0 365.437 3.496 10 0 FGAERO C[C@H]([NH2+]C[C@H](O)CN1CCc2ccccc2C1)c1cnc2ccsc2c1 ZINC000151798800 495952411 /nfs/dbraw/zinc/95/24/11/495952411.db2.gz KJSLRIKBPRTCNZ-KXBFYZLASA-N 1 0 367.518 3.366 10 0 FGAERO Cc1ccc([C@@H](C)NC(=O)C[N@@H+]2CC[C@H](CNc3ccccn3)C2)cc1C ZINC000171645930 495964476 /nfs/dbraw/zinc/96/44/76/495964476.db2.gz DZIDKXWLCJDMHJ-RTBURBONSA-N 1 0 366.509 3.310 10 0 FGAERO C[C@@H](NC(=O)C[N@@H+]1CC[C@H](CNc2ccccn2)C1)c1ccccc1Cl ZINC000171645846 495965012 /nfs/dbraw/zinc/96/50/12/495965012.db2.gz MVCCHBQOMPCXSU-HZPDHXFCSA-N 1 0 372.900 3.346 10 0 FGAERO Cc1cccc(NC[C@@H]2CCN(CC(=O)Nc3ccc(F)c(F)c3)C2)[nH+]1 ZINC000171653576 495973805 /nfs/dbraw/zinc/97/38/05/495973805.db2.gz FKSRHWFKSKCTDZ-AWEZNQCLSA-N 1 0 360.408 3.041 10 0 FGAERO CC(C)C(=O)Nc1ccc(CNC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)cc1 ZINC000171664586 495979699 /nfs/dbraw/zinc/97/96/99/495979699.db2.gz WDDVQCHHVBPVMP-HXUWFJFHSA-N 1 0 367.493 3.070 10 0 FGAERO COC(=O)[C@@]1(C)CCCN1CCCc1nc(-c2ccc(C)c(F)c2)no1 ZINC000186400011 495982785 /nfs/dbraw/zinc/98/27/85/495982785.db2.gz MQDOYZRXCCEJKU-LJQANCHMSA-N 1 0 361.417 3.144 10 0 FGAERO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000180489079 496018292 /nfs/dbraw/zinc/01/82/92/496018292.db2.gz MVFGTQVUCPBKKS-KKSFZXQISA-N 1 0 358.457 3.386 10 0 FGAERO C[NH+](C)C[C@@H](NC(=O)N[C@H]1CCOc2ccc(F)cc21)c1ccccc1 ZINC000171758050 496024418 /nfs/dbraw/zinc/02/44/18/496024418.db2.gz CSAUDLUIUASCPS-ZWKOTPCHSA-N 1 0 357.429 3.251 10 0 FGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H](c1ccccc1)[C@@H]1CCCO1 ZINC000174590134 496024443 /nfs/dbraw/zinc/02/44/43/496024443.db2.gz ONERXSXZWSHQSR-ZRNYENFQSA-N 1 0 357.498 3.175 10 0 FGAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CN(Cc3ccccc3)C[C@@H]2C)C12CCOCC2 ZINC000186507665 496024590 /nfs/dbraw/zinc/02/45/90/496024590.db2.gz FITIHSHFGVKZRB-FYZZASKESA-N 1 0 358.526 3.071 10 0 FGAERO COc1ccc([C@H](C)[NH2+][C@@H]2CCc3nnc(C(C)C)n3C2)cc1NC(C)=O ZINC000180517956 496029914 /nfs/dbraw/zinc/02/99/14/496029914.db2.gz UGCOLNVTSUKPEV-XJKSGUPXSA-N 1 0 371.485 3.034 10 0 FGAERO C[C@H](NC(=O)N[C@H](Cc1ccccc1)C(F)(F)F)C(C)(C)C[NH+](C)C ZINC000152074615 496039338 /nfs/dbraw/zinc/03/93/38/496039338.db2.gz LXYVQLAEEGZTBD-DZGCQCFKSA-N 1 0 359.436 3.436 10 0 FGAERO CCC[NH+](CCC)CCCNC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000171803574 496042403 /nfs/dbraw/zinc/04/24/03/496042403.db2.gz BRNJFHQBTDYOOE-PZJWPPBQSA-N 1 0 373.541 3.224 10 0 FGAERO CC[C@@H]([NH2+]C[C@H]1CCCN1c1cc(NC)ncn1)c1ccc(OC)cc1 ZINC000180566667 496047476 /nfs/dbraw/zinc/04/74/76/496047476.db2.gz JPBINCNEKVLFOV-SJLPKXTDSA-N 1 0 355.486 3.237 10 0 FGAERO CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)CCc2ccc(OC)cc2)ncn1 ZINC000180570261 496048962 /nfs/dbraw/zinc/04/89/62/496048962.db2.gz AKGGCCYTUMVIMG-WMZOPIPTSA-N 1 0 369.513 3.107 10 0 FGAERO COc1cc([C@@H](C)[NH2+][C@@H]2CCc3ncnn3C2)ccc1SC(F)F ZINC000180600419 496062311 /nfs/dbraw/zinc/06/23/11/496062311.db2.gz AOSUVERXGLPCNF-ZYHUDNBSSA-N 1 0 354.426 3.267 10 0 FGAERO Clc1ccc2c(c1Cl)OCCC[C@@H]2[NH2+][C@H]1CCc2ncnn2C1 ZINC000180603197 496063703 /nfs/dbraw/zinc/06/37/03/496063703.db2.gz UVPRSZZFDZAULR-GWCFXTLKSA-N 1 0 353.253 3.403 10 0 FGAERO COC(=O)c1oc([C@H](C)N2CCN(c3nc4ccccc4o3)CC2)cc1C ZINC000180613431 496068348 /nfs/dbraw/zinc/06/83/48/496068348.db2.gz RWRKNDGMUKEEHL-AWEZNQCLSA-N 1 0 369.421 3.399 10 0 FGAERO C[C@@H]([NH2+]CC(=O)Nc1ccc(F)cc1F)c1cccc(-n2ccnc2)c1 ZINC000180650461 496086869 /nfs/dbraw/zinc/08/68/69/496086869.db2.gz XEDRFSMAXFFSRF-CYBMUJFWSA-N 1 0 356.376 3.440 10 0 FGAERO Cc1ccc([C@@H](C[NH2+][C@@H]2CC(C)(C)OC2(C)C)N2CCOCC2)s1 ZINC000180656552 496090418 /nfs/dbraw/zinc/09/04/18/496090418.db2.gz ZWBNAXPNAKPQRR-NVXWUHKLSA-N 1 0 352.544 3.366 10 0 FGAERO Cc1nn(-c2ccccc2)cc1NC(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000183718310 496091550 /nfs/dbraw/zinc/09/15/50/496091550.db2.gz XTGWEGXKKLHPBY-GOSISDBHSA-N 1 0 355.486 3.423 10 0 FGAERO C[C@@H]([NH2+][C@H](C)c1cccc(-n2ccnc2)c1)C(=O)NCc1ccc(F)cc1 ZINC000180665078 496093734 /nfs/dbraw/zinc/09/37/34/496093734.db2.gz IXWBPVSXEKFPDT-HZPDHXFCSA-N 1 0 366.440 3.367 10 0 FGAERO C[C@@H]([NH2+][C@@H](C)c1cccc(-n2ccnc2)c1)C(=O)NCc1ccccc1F ZINC000180670163 496096550 /nfs/dbraw/zinc/09/65/50/496096550.db2.gz QNBSJMPAJGWZCF-JKSUJKDBSA-N 1 0 366.440 3.367 10 0 FGAERO C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2cccc(Oc3ccccc3)c2)C[C@@H]1C ZINC000177539893 496103459 /nfs/dbraw/zinc/10/34/59/496103459.db2.gz XCHJYHZFKRBOMP-DLBZAZTESA-N 1 0 369.465 3.398 10 0 FGAERO CCn1cnnc1C1CC[NH+](CCC(=O)Nc2cccc(Cl)c2)CC1 ZINC000174786296 496106053 /nfs/dbraw/zinc/10/60/53/496106053.db2.gz KLOCYMZRJWZTIH-UHFFFAOYSA-N 1 0 361.877 3.160 10 0 FGAERO C[C@H]1C[C@@H](C(=O)N2CCN(c3ccc(C[NH+](C)C)cn3)CC2)CC(C)(C)C1 ZINC000183788967 496117849 /nfs/dbraw/zinc/11/78/49/496117849.db2.gz OXCLJYHXYRCJTD-PKOBYXMFSA-N 1 0 372.557 3.254 10 0 FGAERO C[C@H](C(=O)N[C@@H](C)c1ccccc1)[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000177598216 496126523 /nfs/dbraw/zinc/12/65/23/496126523.db2.gz ILDIMILNEBMEHO-UEXGIBASSA-N 1 0 374.525 3.302 10 0 FGAERO CSCCCCC(=O)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000174857999 496136566 /nfs/dbraw/zinc/13/65/66/496136566.db2.gz WHSUGKNKDNEAFC-IBGZPJMESA-N 1 0 364.555 3.082 10 0 FGAERO COC(=O)C1CCC(C(=O)NC(C)(C)CC[NH+]2CCCCCC2)CC1 ZINC000186808166 496160942 /nfs/dbraw/zinc/16/09/42/496160942.db2.gz JIBZTYRLRIHUOB-UHFFFAOYSA-N 1 0 352.519 3.127 10 0 FGAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000177701797 496164502 /nfs/dbraw/zinc/16/45/02/496164502.db2.gz BWAFNFBISMDNNM-ZDUSSCGKSA-N 1 0 372.494 3.161 10 0 FGAERO C[C@@H](NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc2c(c1)OCCO2 ZINC000172109535 496168114 /nfs/dbraw/zinc/16/81/14/496168114.db2.gz UVEXOYIGGCAMKC-KDOFPFPSSA-N 1 0 363.502 3.184 10 0 FGAERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3nc4ccccc4nc3C)C2)n1 ZINC000172162995 496191196 /nfs/dbraw/zinc/19/11/96/496191196.db2.gz MUUHGUVPUGLXCZ-QGZVFWFLSA-N 1 0 350.470 3.059 10 0 FGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCc1ccccc1Br ZINC000174987221 496196253 /nfs/dbraw/zinc/19/62/53/496196253.db2.gz CUWCYCYKANCJMV-JKSUJKDBSA-N 1 0 365.315 3.467 10 0 FGAERO CCC[C@H](C(=O)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1)[NH+](C)C ZINC000184005139 496197086 /nfs/dbraw/zinc/19/70/86/496197086.db2.gz HRANOFVTLKCDOV-CVEARBPZSA-N 1 0 358.404 3.336 10 0 FGAERO [NH3+][C@@H]1CC[C@@H](C(=O)NCC2(c3cccc(Br)c3)CCC2)C1 ZINC000152681600 496223970 /nfs/dbraw/zinc/22/39/70/496223970.db2.gz NTCCSVIIAINIFM-IUODEOHRSA-N 1 0 351.288 3.114 10 0 FGAERO Cc1csc([C@@H]2CCC[N@H+](CCn3cnc4ccccc4c3=O)C2)n1 ZINC000172246019 496226392 /nfs/dbraw/zinc/22/63/92/496226392.db2.gz WFCJGDZHSGFINE-OAHLLOKOSA-N 1 0 354.479 3.041 10 0 FGAERO O=C([C@@H]1CCCC[N@@H+]1Cc1ccccc1)N1CCC(Cn2cccn2)CC1 ZINC000175068326 496234234 /nfs/dbraw/zinc/23/42/34/496234234.db2.gz IWPHJAWLWKNPDU-NRFANRHFSA-N 1 0 366.509 3.176 10 0 FGAERO C[C@@H](c1cccc(Cl)c1F)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000186982344 496239436 /nfs/dbraw/zinc/23/94/36/496239436.db2.gz FPNJRMSYOAPHIV-AWEZNQCLSA-N 1 0 350.869 3.482 10 0 FGAERO O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)c1ccnc2ccncc21 ZINC000187036022 496263246 /nfs/dbraw/zinc/26/32/46/496263246.db2.gz PCEMTPHFVGCYCB-GOSISDBHSA-N 1 0 360.461 3.414 10 0 FGAERO CCC[C@H](C(=O)N1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1)[NH+](C)C ZINC000161946635 496268082 /nfs/dbraw/zinc/26/80/82/496268082.db2.gz MEHTWAQUASZNTM-PKOBYXMFSA-N 1 0 374.529 3.085 10 0 FGAERO C[NH+](C)CCn1c2cc(NC(=O)[C@H]3C[C@@H]3C3CCCCC3)ccc2oc1=O ZINC000152847899 496274480 /nfs/dbraw/zinc/27/44/80/496274480.db2.gz QMQXKXLPOBBMQF-SJORKVTESA-N 1 0 371.481 3.311 10 0 FGAERO CC(C)[N@H+]1C[C@H](NC(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)[C@@H](C)C1 ZINC000181126321 496279210 /nfs/dbraw/zinc/27/92/10/496279210.db2.gz QTEYIQBZMSQBGZ-HZMBPMFUSA-N 1 0 351.401 3.351 10 0 FGAERO CCC[C@@H](C(=O)Nc1ccc(OCC(F)(F)C(F)F)nc1)[NH+](C)C ZINC000162012708 496280988 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YRXFAQICIIBACA-LBPRGKRZSA-N 1 0 350.488 3.029 10 0 FGAERO Cc1cc(Cl)c(C)c(S(=O)(=O)N[C@H]2CCCC[C@@H]2[NH3+])c1Cl ZINC000038050006 211365886 /nfs/dbraw/zinc/36/58/86/211365886.db2.gz XYYJCQPEMOCUNG-RYUDHWBXSA-N 1 0 351.299 3.158 10 0 FGAERO CC[C@@H](C)NC(=O)CC[NH2+][C@@H]1CCOc2ccc(Br)cc21 ZINC000038014217 211350409 /nfs/dbraw/zinc/35/04/09/211350409.db2.gz UFAALWUMYMJMQF-BXUZGUMPSA-N 1 0 355.276 3.167 10 0 FGAERO C[C@@H]([NH2+]C[C@H](O)COCc1ccco1)c1cccc(Br)c1 ZINC000037984646 211332174 /nfs/dbraw/zinc/33/21/74/211332174.db2.gz RYQFEKHWIAHOQI-DOMZBBRYSA-N 1 0 354.244 3.270 10 0 FGAERO CCN(CC)C(=O)CC[NH2+][C@@H](C)c1ccc(I)cc1 ZINC000037752769 211271472 /nfs/dbraw/zinc/27/14/72/211271472.db2.gz BEOQKMLDUDSUMD-LBPRGKRZSA-N 1 0 374.266 3.200 10 0 FGAERO COc1ccc(C[N@@H+]2CCC[C@H]2c2cc(C)no2)cc1CN1CCOCC1 ZINC000064984319 221161549 /nfs/dbraw/zinc/16/15/49/221161549.db2.gz BGQOZNBREWSIPY-IBGZPJMESA-N 1 0 371.481 3.161 10 0 FGAERO COc1ccc([C@H](C)NC(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)cc1OC 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10 0 FGAERO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000043821135 494321324 /nfs/dbraw/zinc/32/13/24/494321324.db2.gz UUYGTCZDQLHCNK-YJBOKZPZSA-N 1 0 367.921 3.399 10 0 FGAERO Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCCN(c3cccnn3)C2)c(C)c1 ZINC000089733173 494350474 /nfs/dbraw/zinc/35/04/74/494350474.db2.gz OSUMBHDQONAOMX-QZTJIDSGSA-N 1 0 367.497 3.069 10 0 FGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCc1ccc(NC(=O)C(C)C)cc1 ZINC000079090903 494402772 /nfs/dbraw/zinc/40/27/72/494402772.db2.gz XCZSDBSYJPBRLM-SFHVURJKSA-N 1 0 362.518 3.057 10 0 FGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N[C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000073722771 494417918 /nfs/dbraw/zinc/41/79/18/494417918.db2.gz MEVCUHUMJQMANM-WMZOPIPTSA-N 1 0 357.502 3.209 10 0 FGAERO COC(=O)[C@@H]1CCC[N@H+](CCCc2nc(-c3ccc(C)c(F)c3)no2)C1 ZINC000066833646 494419094 /nfs/dbraw/zinc/41/90/94/494419094.db2.gz ATFNYUOINMSEPN-OAHLLOKOSA-N 1 0 361.417 3.002 10 0 FGAERO CC(C)c1ccc([C@H](C)NC(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)cc1 ZINC000079219322 494421112 /nfs/dbraw/zinc/42/11/12/494421112.db2.gz BOJHHTJEXLBQGF-RXVVDRJESA-N 1 0 374.573 3.442 10 0 FGAERO O[C@@H](COC(c1ccccc1)c1ccccc1)C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000090008396 494427324 /nfs/dbraw/zinc/42/73/24/494427324.db2.gz VOPQWCWCEXDFQF-FGZHOGPDSA-N 1 0 367.489 3.264 10 0 FGAERO C[C@@H](NC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1)[C@H]1CCCO1 ZINC000067044543 494462628 /nfs/dbraw/zinc/46/26/28/494462628.db2.gz ICCSQKYQQSEMMJ-YLJYHZDGSA-N 1 0 359.514 3.108 10 0 FGAERO CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000079487877 494463997 /nfs/dbraw/zinc/46/39/97/494463997.db2.gz XJCCCQNMPKXRHH-WBVHZDCISA-N 1 0 353.532 3.169 10 0 FGAERO CC(C)n1cc(Br)cc1C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000090869959 494500102 /nfs/dbraw/zinc/50/01/02/494500102.db2.gz UFRBMNFBOKPDDP-TZMCWYRMSA-N 1 0 354.292 3.140 10 0 FGAERO CC(C)[C@@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)c1ccccc1Cl ZINC000091287330 494578563 /nfs/dbraw/zinc/57/85/63/494578563.db2.gz TZAASXAMJDVLOL-LJQANCHMSA-N 1 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CC(C)n1ncc2cc(C[NH2+][C@H](CO)Cc3c[nH]c4ccccc34)cnc21 ZINC000116350672 494766146 /nfs/dbraw/zinc/76/61/46/494766146.db2.gz BEZYMOMOVOSPKZ-SFHVURJKSA-N 1 0 363.465 3.187 10 0 FGAERO Cn1cc(CN2CCC[N@H+](Cc3cccc(-c4cccnc4)c3)CC2)cn1 ZINC000121562486 494803605 /nfs/dbraw/zinc/80/36/05/494803605.db2.gz OHBNJQMMHFGNQY-UHFFFAOYSA-N 1 0 361.493 3.190 10 0 FGAERO C[NH+](C)C[C@H](NC(=O)NC[C@H]1CCOc2ccccc21)c1ccccc1 ZINC000108927970 494805738 /nfs/dbraw/zinc/80/57/38/494805738.db2.gz ZIPGYXRSRUCPKM-MJGOQNOKSA-N 1 0 353.466 3.155 10 0 FGAERO Cc1ccc(N2CCC[N@H+](Cc3ccc4c(c3)CC(C)(C)O4)CC2)nn1 ZINC000093271773 494853759 /nfs/dbraw/zinc/85/37/59/494853759.db2.gz ZDHKUHWOMINMBY-UHFFFAOYSA-N 1 0 352.482 3.211 10 0 FGAERO CN(c1cccnn1)C1CC[NH+](Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000093272710 494853959 /nfs/dbraw/zinc/85/39/59/494853959.db2.gz ZDDVBPHHDFCGFW-UHFFFAOYSA-N 1 0 366.387 3.476 10 0 FGAERO C[NH+](C)C[C@H](NC(=O)Cc1cc(Cl)c2c(c1)OCCO2)c1ccccc1 ZINC000027150672 494854906 /nfs/dbraw/zinc/85/49/06/494854906.db2.gz GORHSVAPUWJJNG-KRWDZBQOSA-N 1 0 374.868 3.073 10 0 FGAERO CC[N@H+](Cc1ccc(C(=O)N2CCC[C@@H](Cn3cncn3)C2)cc1)C(C)C ZINC000127260716 494918917 /nfs/dbraw/zinc/91/89/17/494918917.db2.gz CSXRRDRHKNLAEY-LJQANCHMSA-N 1 0 369.513 3.061 10 0 FGAERO Cc1ccc(Br)c(C(=O)N2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)c1 ZINC000127345867 494931595 /nfs/dbraw/zinc/93/15/95/494931595.db2.gz PWVOTXGAHLCWMF-KBPBESRZSA-N 1 0 351.288 3.456 10 0 FGAERO CCC[C@H](C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1)[NH+](C)C ZINC000093903312 494932641 /nfs/dbraw/zinc/93/26/41/494932641.db2.gz WPFFTSVSOZJAKP-QGZVFWFLSA-N 1 0 355.486 3.340 10 0 FGAERO C[C@@H](O)C[NH+]1CCC(CN(C)c2nc(-c3ccc(F)cc3)cs2)CC1 ZINC000127411794 494940342 /nfs/dbraw/zinc/94/03/42/494940342.db2.gz LQWWUQISDSJSKZ-CQSZACIVSA-N 1 0 363.502 3.478 10 0 FGAERO COc1ccc([C@@H](C)NC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)cc1F ZINC000132930493 494944146 /nfs/dbraw/zinc/94/41/46/494944146.db2.gz QDFGNHJBQXKBTN-GDBMZVCRSA-N 1 0 351.466 3.315 10 0 FGAERO C[C@H](NC(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1cccc(Cl)c1Cl ZINC000118090616 494977073 /nfs/dbraw/zinc/97/70/73/494977073.db2.gz CIABGGXEVOAPOI-QWHCGFSZSA-N 1 0 374.312 3.200 10 0 FGAERO C[C@H](NC(=O)N1CCO[C@@H](C[NH+](C)C)C1)c1cccc(Cl)c1Cl ZINC000118090778 494977131 /nfs/dbraw/zinc/97/71/31/494977131.db2.gz RLGOKQLCMJPPNO-RYUDHWBXSA-N 1 0 360.285 3.026 10 0 FGAERO Cc1cccc(N2CC[NH+](CC[C@@H](C)Nc3nc(C)cc(C)n3)CC2)c1 ZINC000097286654 495031076 /nfs/dbraw/zinc/03/10/76/495031076.db2.gz DIEOXKRBUBXNRB-QGZVFWFLSA-N 1 0 353.514 3.415 10 0 FGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)Nc1ccc(Cl)cc1Cl ZINC000122818737 495035998 /nfs/dbraw/zinc/03/59/98/495035998.db2.gz IDKVCCGAPYRMBQ-ZIAGYGMSSA-N 1 0 356.297 3.491 10 0 FGAERO C[NH+](C)C[C@@H]1CN(C(=O)Nc2ccccc2Oc2ccccc2)CCO1 ZINC000118793022 495036696 /nfs/dbraw/zinc/03/66/96/495036696.db2.gz ZVTWWURLIOARCT-QGZVFWFLSA-N 1 0 355.438 3.273 10 0 FGAERO CCCOc1c(Cl)cc(CN2CCO[C@@H](C[NH+](C)C)C2)cc1OCC ZINC000128051786 495037665 /nfs/dbraw/zinc/03/76/65/495037665.db2.gz GMNCQMFDXDIGDI-INIZCTEOSA-N 1 0 370.921 3.290 10 0 FGAERO CCc1nccn1[C@@H]1CCC[N@H+](Cc2ccc(OC)c(OC)c2OC)C1 ZINC000122864415 495042694 /nfs/dbraw/zinc/04/26/94/495042694.db2.gz RGKVIGJUEYDCHD-MRXNPFEDSA-N 1 0 359.470 3.308 10 0 FGAERO CCc1nccn1[C@@H]1CCC[N@H+](Cc2cc(OC)c3c(c2)OCCO3)C1 ZINC000122868280 495043529 /nfs/dbraw/zinc/04/35/29/495043529.db2.gz OFYGAYOBEGKWAN-MRXNPFEDSA-N 1 0 357.454 3.062 10 0 FGAERO CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000122874715 495044640 /nfs/dbraw/zinc/04/46/40/495044640.db2.gz DAZHWANMUUBKID-HXUWFJFHSA-N 1 0 362.477 3.208 10 0 FGAERO CCOCC[N@@H+]1CCN(C(=O)c2cccc3ccc(C)nc32)C[C@H]1CC ZINC000133754501 495057488 /nfs/dbraw/zinc/05/74/88/495057488.db2.gz PTQNVYYMNPQVFQ-GOSISDBHSA-N 1 0 355.482 3.116 10 0 FGAERO Cc1ccc(CCC2CCN(C(=O)C[NH+]3CCC([C@@H](C)O)CC3)CC2)cc1 ZINC000111287055 495059140 /nfs/dbraw/zinc/05/91/40/495059140.db2.gz ZYVDHDGUWRKFJJ-LJQANCHMSA-N 1 0 372.553 3.259 10 0 FGAERO C[NH+](C)C[C@H](NC(=O)Nc1cccc(OCC(F)F)n1)c1ccccc1 ZINC000133770429 495060082 /nfs/dbraw/zinc/06/00/82/495060082.db2.gz VPMZZYSLHYAROQ-AWEZNQCLSA-N 1 0 364.396 3.150 10 0 FGAERO CCC[C@@H](C(=O)N1CCO[C@H](c2cccc(Br)c2)C1)[NH+](C)C ZINC000128259947 495068997 /nfs/dbraw/zinc/06/89/97/495068997.db2.gz OMIWKQPNZMQWIT-HOTGVXAUSA-N 1 0 369.303 3.079 10 0 FGAERO CCc1nc2c(s1)[C@H](N(C)C(=O)N[C@@H]1CCC[N@@H+](CC)C1)CCC2 ZINC000119167873 495108525 /nfs/dbraw/zinc/10/85/25/495108525.db2.gz QALYZNKOZJNLCD-UKRRQHHQSA-N 1 0 350.532 3.209 10 0 FGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000128516901 495110145 /nfs/dbraw/zinc/11/01/45/495110145.db2.gz YJMGTIHZBKVISF-BEFAXECRSA-N 1 0 374.529 3.372 10 0 FGAERO COc1c(CN[C@H]2CCCc3ncc(C(F)(F)F)cc32)c(C)nn1C ZINC000134139036 495111825 /nfs/dbraw/zinc/11/18/25/495111825.db2.gz HZSAHDIAWYTQNB-HNNXBMFYSA-N 1 0 354.376 3.318 10 0 FGAERO CC(C)(C)Oc1ccc(CNC(=O)[C@H]2CCC[NH2+]C2)c(C(F)(F)F)c1 ZINC000119364148 495151453 /nfs/dbraw/zinc/15/14/53/495151453.db2.gz JHSWMLIRQWRPLM-ZDUSSCGKSA-N 1 0 358.404 3.499 10 0 FGAERO CCc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)cc1 ZINC000102686618 495153627 /nfs/dbraw/zinc/15/36/27/495153627.db2.gz XOFMZYYCDNXHRN-GJZGRUSLSA-N 1 0 351.450 3.273 10 0 FGAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1c(F)cccc1Br ZINC000119379727 495154788 /nfs/dbraw/zinc/15/47/88/495154788.db2.gz ITDCNGZTRBZGMW-GFCCVEGCSA-N 1 0 357.267 3.438 10 0 FGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCc1cccc(NC(=O)C2CCC2)c1 ZINC000123660598 495167962 /nfs/dbraw/zinc/16/79/62/495167962.db2.gz DJGFOBKDGKYYIQ-IBGZPJMESA-N 1 0 374.529 3.201 10 0 FGAERO CCc1c(C(=O)N[C@H](CC(C)C)C[NH+](C)C)cnn1Cc1ccccc1 ZINC000128949187 495173032 /nfs/dbraw/zinc/17/30/32/495173032.db2.gz NJNFVNDHHFFKSV-GOSISDBHSA-N 1 0 356.514 3.200 10 0 FGAERO COc1ccc(OC)c(C[N@H+](C[C@H](O)COC(C)(C)C)C(C)(C)C)c1 ZINC000134860149 495211560 /nfs/dbraw/zinc/21/15/60/495211560.db2.gz QXFAVYJGLYAMRS-INIZCTEOSA-N 1 0 353.503 3.480 10 0 FGAERO CN(Cc1ccncc1)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000129242009 495216448 /nfs/dbraw/zinc/21/64/48/495216448.db2.gz HKMFMZJPBIBPRF-HXUWFJFHSA-N 1 0 352.482 3.278 10 0 FGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccn(-c2ccccc2Cl)n1 ZINC000129351045 495233000 /nfs/dbraw/zinc/23/30/00/495233000.db2.gz DADLUELIMHKYQR-CQSZACIVSA-N 1 0 361.877 3.474 10 0 FGAERO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]C[C@@](C)(O)c2ccsc2)C1 ZINC000124106480 495234427 /nfs/dbraw/zinc/23/44/27/495234427.db2.gz FSUOVLHZFWTAOR-RDTXWAMCSA-N 1 0 354.516 3.192 10 0 FGAERO CCn1cnnc1[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2SC)C1 ZINC000103476604 495240087 /nfs/dbraw/zinc/24/00/87/495240087.db2.gz ODQJTZVHIJSYTD-OAHLLOKOSA-N 1 0 373.526 3.228 10 0 FGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000113232056 495286679 /nfs/dbraw/zinc/28/66/79/495286679.db2.gz MOUHGWSJRXWTAR-CRAIPNDOSA-N 1 0 373.497 3.020 10 0 FGAERO Cc1ccc(-c2nc(CC(=O)N3C[C@H]4CCC[N@H+]4C[C@@H]3C)cs2)cc1 ZINC000113230525 495287027 /nfs/dbraw/zinc/28/70/27/495287027.db2.gz KFZQBUDPJRMONH-MAUKXSAKSA-N 1 0 355.507 3.356 10 0 FGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C1(c2ccc(Br)cc2)CC1 ZINC000113233120 495287416 /nfs/dbraw/zinc/28/74/16/495287416.db2.gz RDYSAANPDJNKAW-XJKSGUPXSA-N 1 0 363.299 3.176 10 0 FGAERO COc1cccc(-c2nc(CN3C[C@H]4CCC[N@@H+]4C[C@H]3C)cs2)c1OC ZINC000113269913 495291380 /nfs/dbraw/zinc/29/13/80/495291380.db2.gz KEPDEYUNIHGPJD-GDBMZVCRSA-N 1 0 373.522 3.496 10 0 FGAERO Cc1ccc(-c2n[nH]cc2C[N@@H+](C)[C@@H]2CCCN(c3cccnn3)C2)cc1 ZINC000120167308 495320457 /nfs/dbraw/zinc/32/04/57/495320457.db2.gz DTFYREBZFGIMIN-LJQANCHMSA-N 1 0 362.481 3.276 10 0 FGAERO Cc1ccc(-c2n[nH]cc2C[N@@H+](C)[C@H]2CCCN(c3cccnn3)C2)cc1 ZINC000120167473 495320589 /nfs/dbraw/zinc/32/05/89/495320589.db2.gz DTFYREBZFGIMIN-IBGZPJMESA-N 1 0 362.481 3.276 10 0 FGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@H](c1nccs1)c1ccccc1 ZINC000113615638 495321301 /nfs/dbraw/zinc/32/13/01/495321301.db2.gz BENUVGKYLPDSPV-OIISXLGYSA-N 1 0 356.495 3.111 10 0 FGAERO C[N@H+](Cc1ccccc1Br)[C@@H]1CCCN(c2cccnn2)C1 ZINC000106079355 495410441 /nfs/dbraw/zinc/41/04/41/495410441.db2.gz ALBUXASTVGUCIR-OAHLLOKOSA-N 1 0 361.287 3.340 10 0 FGAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000130603390 495418199 /nfs/dbraw/zinc/41/81/99/495418199.db2.gz WBIPMKHCIUMLRV-LJQANCHMSA-N 1 0 351.450 3.153 10 0 FGAERO CN(Cc1ncc(-c2ccccc2)o1)C1CC[NH+](CCn2cccn2)CC1 ZINC000106130925 495418241 /nfs/dbraw/zinc/41/82/41/495418241.db2.gz PFURRZDYBIMYJQ-UHFFFAOYSA-N 1 0 365.481 3.135 10 0 FGAERO CN(Cc1coc(-c2cccs2)n1)C1CC[NH+](CCn2cccn2)CC1 ZINC000106130624 495418811 /nfs/dbraw/zinc/41/88/11/495418811.db2.gz DUBSMJXXUSOKMO-UHFFFAOYSA-N 1 0 371.510 3.196 10 0 FGAERO Cc1nc(CN2CCC[N@H+](Cc3ccc(-n4ccnc4)cc3)CC2)cs1 ZINC000106146109 495419768 /nfs/dbraw/zinc/41/97/68/495419768.db2.gz ASEKDOOEQDDTQW-UHFFFAOYSA-N 1 0 367.522 3.345 10 0 FGAERO C[N@H+](CCC(=O)Nc1ccccc1)C[C@@H](c1cccs1)N1CCOCC1 ZINC000106160364 495420349 /nfs/dbraw/zinc/42/03/49/495420349.db2.gz AXGSISHXZIZCIS-SFHVURJKSA-N 1 0 373.522 3.082 10 0 FGAERO COc1ccc(CC[N@H+](C)C[C@H](c2cccs2)N2CCOCC2)cc1 ZINC000106161583 495422251 /nfs/dbraw/zinc/42/22/51/495422251.db2.gz FFEMDNSFLOITMO-LJQANCHMSA-N 1 0 360.523 3.305 10 0 FGAERO Cc1nc(C)n(C[C@H]2CCC[N@@H+](CC(=O)N(c3ccccc3)C(C)C)C2)n1 ZINC000106181923 495425000 /nfs/dbraw/zinc/42/50/00/495425000.db2.gz QXIMFUSALDZXIN-IBGZPJMESA-N 1 0 369.513 3.049 10 0 FGAERO Cc1nc(C)n(C[C@H]2CCC[N@@H+]([C@@H](C)c3nnc(-c4ccccc4)o3)C2)n1 ZINC000106180337 495425607 /nfs/dbraw/zinc/42/56/07/495425607.db2.gz AGTFTHKJBORXQT-YOEHRIQHSA-N 1 0 366.469 3.418 10 0 FGAERO Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC(Cn2cccn2)CC1 ZINC000106183578 495426300 /nfs/dbraw/zinc/42/63/00/495426300.db2.gz RLXGONYNKLDIFW-QZTJIDSGSA-N 1 0 354.498 3.169 10 0 FGAERO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[NH+]1CCC(Cn2cccn2)CC1 ZINC000106182711 495426449 /nfs/dbraw/zinc/42/64/49/495426449.db2.gz DCFINYSHMBBRKI-INIZCTEOSA-N 1 0 374.916 3.468 10 0 FGAERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1ccccc1CN1CCSCC1 ZINC000130688387 495430410 /nfs/dbraw/zinc/43/04/10/495430410.db2.gz ZUWCFRLVYOVVCH-INIZCTEOSA-N 1 0 364.559 3.087 10 0 FGAERO CCc1nccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NCc2ccc(Cl)cc2)C1 ZINC000106215089 495434539 /nfs/dbraw/zinc/43/45/39/495434539.db2.gz OJNUOQVPFUWOSE-YJBOKZPZSA-N 1 0 374.916 3.441 10 0 FGAERO CN(C)[C@H](Cc1ccccc1)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000106427493 495455201 /nfs/dbraw/zinc/45/52/01/495455201.db2.gz DETZDENTTXOAHE-YADHBBJMSA-N 1 0 365.521 3.113 10 0 FGAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCc1ccc(Br)s1 ZINC000106430580 495455573 /nfs/dbraw/zinc/45/55/73/495455573.db2.gz GPIMTMUXKHKAJP-AWEZNQCLSA-N 1 0 367.312 3.300 10 0 FGAERO CCCC(=O)Nc1cccc(CNC(=O)[C@H](Cc2ccccc2)[NH+](C)C)c1 ZINC000106458753 495458170 /nfs/dbraw/zinc/45/81/70/495458170.db2.gz XNWYRKBVBKWQBV-FQEVSTJZSA-N 1 0 367.493 3.214 10 0 FGAERO Cc1ccccc1C1(CNC(=O)N2CCC[C@H](Cc3nccn3C)C2)CC1 ZINC000138555965 495464138 /nfs/dbraw/zinc/46/41/38/495464138.db2.gz POOHMOKFGFLRKW-GOSISDBHSA-N 1 0 366.509 3.424 10 0 FGAERO NC(=O)c1ccc(-c2nc(C[N@@H+]3CC[C@]4(O)CCCC[C@@H]4C3)cs2)cc1 ZINC000140357008 495493536 /nfs/dbraw/zinc/49/35/36/495493536.db2.gz WTMNFYFSRIDLNS-OXQOHEQNSA-N 1 0 371.506 3.036 10 0 FGAERO CC(C)(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000121020094 495504707 /nfs/dbraw/zinc/50/47/07/495504707.db2.gz ZCLGIOAABDJUKU-FQEVSTJZSA-N 1 0 368.525 3.076 10 0 FGAERO C[NH+](C)C[C@@H](NC(=O)NCCc1nc2c(s1)CCCC2)c1ccccc1 ZINC000131198757 495505058 /nfs/dbraw/zinc/50/50/58/495505058.db2.gz QWIUJZSXYWNGAC-QGZVFWFLSA-N 1 0 372.538 3.167 10 0 FGAERO CC[C@H](C)NC(=O)c1ccc(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1 ZINC000121024088 495506121 /nfs/dbraw/zinc/50/61/21/495506121.db2.gz MLQCKEHKJWFCQE-MPGHIAIKSA-N 1 0 360.502 3.065 10 0 FGAERO CC(C)c1ccc([C@@H]2C[C@H]2C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000131227755 495509324 /nfs/dbraw/zinc/50/93/24/495509324.db2.gz IUIABBORCPNXHT-QHAWAJNXSA-N 1 0 358.526 3.267 10 0 FGAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000106911220 495511313 /nfs/dbraw/zinc/51/13/13/495511313.db2.gz RKKKJSCQNKPHFS-YPAWHYETSA-N 1 0 366.505 3.443 10 0 FGAERO CCS(=O)(=O)c1ccc([C@H]([NH2+]C[C@H]2CCCN2C)c2ccccc2)cc1 ZINC000142007786 495512582 /nfs/dbraw/zinc/51/25/82/495512582.db2.gz BPOMHMYXSZARSO-TZIWHRDSSA-N 1 0 372.534 3.253 10 0 FGAERO C[NH+](C)CCN(Cc1ccccn1)C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000107387942 495526834 /nfs/dbraw/zinc/52/68/34/495526834.db2.gz QLPJXOPFYJJRJA-GJZGRUSLSA-N 1 0 372.435 3.276 10 0 FGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCCCCC(=O)OC(C)(C)C ZINC000173444679 495532920 /nfs/dbraw/zinc/53/29/20/495532920.db2.gz XVCDSZWLAYFTCM-DLBZAZTESA-N 1 0 367.534 3.157 10 0 FGAERO C[C@@H](NC(=O)N(C)CCCN1CC[NH+](C)CC1)c1ccc(C(C)(C)C)cc1 ZINC000182411836 495553804 /nfs/dbraw/zinc/55/38/04/495553804.db2.gz QGQJDIZUGUTQGR-GOSISDBHSA-N 1 0 374.573 3.324 10 0 FGAERO CCN(C(=O)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1)C1CCCC1 ZINC000173496603 495558895 /nfs/dbraw/zinc/55/88/95/495558895.db2.gz IBEAHDUBCZGGPF-NRFANRHFSA-N 1 0 373.541 3.406 10 0 FGAERO CCO[C@@H]1C[C@H]([N@H+](C)CC(=O)Nc2cccc(NC(C)=O)c2)C12CCCC2 ZINC000173522707 495571827 /nfs/dbraw/zinc/57/18/27/495571827.db2.gz FJPBFQRQIGIXFY-RBUKOAKNSA-N 1 0 373.497 3.253 10 0 FGAERO COc1cccc(F)c1[C@@H](C)NC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000173563831 495590151 /nfs/dbraw/zinc/59/01/51/495590151.db2.gz PNUHQALKCFFAFI-RHSMWYFYSA-N 1 0 359.445 3.497 10 0 FGAERO Cn1cc(CN2CCC[N@H+](CC3CCC(C(F)(F)F)CC3)CC2)cn1 ZINC000185511228 495604641 /nfs/dbraw/zinc/60/46/41/495604641.db2.gz LYYNAPOFHMABTI-UHFFFAOYSA-N 1 0 358.452 3.297 10 0 FGAERO CC(C)[N@H+]1C[C@H](NC(=O)Nc2ccc(OCC(F)(F)F)cc2)[C@@H](C)C1 ZINC000176335956 495606172 /nfs/dbraw/zinc/60/61/72/495606172.db2.gz ZRBVGFOHUOCHJQ-WFASDCNBSA-N 1 0 359.392 3.478 10 0 FGAERO CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000150712320 495611773 /nfs/dbraw/zinc/61/17/73/495611773.db2.gz QMFKXCPWVNFCLO-DGCLKSJQSA-N 1 0 372.296 3.298 10 0 FGAERO CC(C)c1c(C(=O)N2CC[C@@H]([NH+](C)C)C2)cnn1-c1cccc(Cl)c1 ZINC000170867217 495633575 /nfs/dbraw/zinc/63/35/75/495633575.db2.gz YARQIFQHHWRXMQ-MRXNPFEDSA-N 1 0 360.889 3.425 10 0 FGAERO Cc1ccc([C@@H]2CCCCN2C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)o1 ZINC000173662477 495637670 /nfs/dbraw/zinc/63/76/70/495637670.db2.gz TZMBEVFRHUOZSR-KURKYZTESA-N 1 0 363.502 3.324 10 0 FGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N[C@H](c1ccccc1)c1cccnc1 ZINC000170896351 495646196 /nfs/dbraw/zinc/64/61/96/495646196.db2.gz MZHZQONWYNYFGP-VQTJNVASSA-N 1 0 354.498 3.447 10 0 FGAERO CC(C)[C@H](CC(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1)c1ccccc1 ZINC000176443005 495652087 /nfs/dbraw/zinc/65/20/87/495652087.db2.gz KKETUAGMGLWQPB-NQIIRXRSSA-N 1 0 360.542 3.368 10 0 FGAERO Cc1nccn1C[C@H]1CCC[N@@H+]1C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000154556941 495653773 /nfs/dbraw/zinc/65/37/73/495653773.db2.gz HSDISJLHXGCNAC-QZTJIDSGSA-N 1 0 367.415 3.278 10 0 FGAERO 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c1ccc(Oc2ccc(OCC[N@@H+]3CC[C@@H](N4CCOCC4)C3)cc2)cc1 ZINC000173905658 495741770 /nfs/dbraw/zinc/74/17/70/495741770.db2.gz ORGFPLUDZVIRPI-LJQANCHMSA-N 1 0 368.477 3.264 10 0 FGAERO C[C@@H]1CCC[N@@H+]1C1CCN(c2cc(-c3ccccc3)nc3ncnn32)CC1 ZINC000154919357 495772219 /nfs/dbraw/zinc/77/22/19/495772219.db2.gz XQJZAORPFMABFV-MRXNPFEDSA-N 1 0 362.481 3.244 10 0 FGAERO C[C@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1=O)c1ccc(F)c(Cl)c1 ZINC000173996214 495781516 /nfs/dbraw/zinc/78/15/16/495781516.db2.gz MBGASAGVDLNCBN-MEDUHNTESA-N 1 0 350.825 3.059 10 0 FGAERO Cc1cc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)c2cc(Br)ccc2n1 ZINC000171279024 495802219 /nfs/dbraw/zinc/80/22/19/495802219.db2.gz QXUNPSNPMPZCNI-AWEZNQCLSA-N 1 0 374.282 3.226 10 0 FGAERO Cc1cc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)nc(-c2ccc(Cl)cc2)n1 ZINC000151312997 495802576 /nfs/dbraw/zinc/80/25/76/495802576.db2.gz YIVAHZUXTUWPGW-WMLDXEAASA-N 1 0 370.884 3.414 10 0 FGAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)c2ccc(SC(F)F)cc2)CC1 ZINC000176864331 495817156 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FGAERO Cn1cc([C@@H]2CCC[N@@H+]2C[C@H](O)COc2ccc(Cl)cc2Cl)cn1 ZINC000171410627 495862732 /nfs/dbraw/zinc/86/27/32/495862732.db2.gz IZGBCTUGQWMDFV-HOCLYGCPSA-N 1 0 370.280 3.304 10 0 FGAERO Cn1cc([C@H]2CCC[N@@H+]2C[C@H](O)COc2ccc(Cl)cc2Cl)cn1 ZINC000171410632 495863040 /nfs/dbraw/zinc/86/30/40/495863040.db2.gz IZGBCTUGQWMDFV-GOEBONIOSA-N 1 0 370.280 3.304 10 0 FGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cnn(-c2cccc(Cl)c2)c1C ZINC000176989058 495872249 /nfs/dbraw/zinc/87/22/49/495872249.db2.gz FNXTTXZFQSNSCS-QGZVFWFLSA-N 1 0 360.889 3.390 10 0 FGAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCc2cc(Cl)ccc2OC(F)F)C1 ZINC000174233378 495875134 /nfs/dbraw/zinc/87/51/34/495875134.db2.gz GSCAYYNZYSCIML-CYBMUJFWSA-N 1 0 361.820 3.225 10 0 FGAERO C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)[C@H]1CCCO1 ZINC000183200305 495878186 /nfs/dbraw/zinc/87/81/86/495878186.db2.gz NVVKRIFVCULHEK-NOZJJQNGSA-N 1 0 350.768 3.454 10 0 FGAERO CC(=O)Nc1cccc([C@H](C)NC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC000151577248 495884149 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FGAERO COC(=O)CCc1ccc(NC(=O)N[C@H](C[NH+](C)C)c2ccccc2)cc1 ZINC000171562550 495928043 /nfs/dbraw/zinc/92/80/43/495928043.db2.gz STAGNLZCZSVXSB-LJQANCHMSA-N 1 0 369.465 3.217 10 0 FGAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)C12CCOCC2 ZINC000186287993 495928490 /nfs/dbraw/zinc/92/84/90/495928490.db2.gz SHTPDIUJYJQKNN-NJDAHSKKSA-N 1 0 373.493 3.473 10 0 FGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(N(C)C)cc1C(F)(F)F ZINC000177120751 495935377 /nfs/dbraw/zinc/93/53/77/495935377.db2.gz SVSFDAKDOLSEMU-TZMCWYRMSA-N 1 0 370.419 3.472 10 0 FGAERO Cc1cnn([C@@H]2CCCN([C@@H]3CCN(c4cccc(Cl)c4)C3=O)C2)c1 ZINC000177143023 495945493 /nfs/dbraw/zinc/94/54/93/495945493.db2.gz QQPISCQRSRTLOP-QZTJIDSGSA-N 1 0 358.873 3.287 10 0 FGAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000171608050 495946518 /nfs/dbraw/zinc/94/65/18/495946518.db2.gz HHGKJTAZYYNJPM-OAQYLSRUSA-N 1 0 365.452 3.365 10 0 FGAERO Cc1nccn1C[C@@H]1CCCN1C(=O)Cn1ccc2ccc(Cl)cc21 ZINC000177154885 495951918 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FGAERO Cc1cccc(NC[C@H]2CC[N@H+](CCCOc3ccc4c(c3)OCO4)C2)n1 ZINC000171648491 495968016 /nfs/dbraw/zinc/96/80/16/495968016.db2.gz YNSRILAPINEUGR-QGZVFWFLSA-N 1 0 369.465 3.322 10 0 FGAERO c1ccc(OCc2n[nH]c(CNC3CC[NH+](C4CCCCC4)CC3)n2)cc1 ZINC000186424344 495993804 /nfs/dbraw/zinc/99/38/04/495993804.db2.gz CHEJBPYMWDWGNW-UHFFFAOYSA-N 1 0 369.513 3.270 10 0 FGAERO CC(C)c1nc([C@@H]2CCCN2C(=O)NC[C@H](c2ccccc2)[NH+](C)C)no1 ZINC000177344709 496025656 /nfs/dbraw/zinc/02/56/56/496025656.db2.gz HEHRTRJNSPIBNK-DLBZAZTESA-N 1 0 371.485 3.342 10 0 FGAERO COc1cc([C@@H](C)[NH2+][C@H]2CCc3nnc(C(C)C)n3C2)cc(OC)c1OC ZINC000180521426 496031493 /nfs/dbraw/zinc/03/14/93/496031493.db2.gz KCRNWQAWUAROOO-HIFRSBDPSA-N 1 0 374.485 3.093 10 0 FGAERO C[C@H](NC(=O)N[C@@H](Cc1ccccc1)C(F)(F)F)C(C)(C)C[NH+](C)C ZINC000152074451 496039210 /nfs/dbraw/zinc/03/92/10/496039210.db2.gz LXYVQLAEEGZTBD-ZFWWWQNUSA-N 1 0 359.436 3.436 10 0 FGAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)[C@H](C)Cc2ccccc2Cl)CC1 ZINC000152088815 496043861 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FGAERO C[C@@H](NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(OCC(F)(F)F)cc1 ZINC000171904713 496086244 /nfs/dbraw/zinc/08/62/44/496086244.db2.gz UXPZVZIOJKRKFC-UKRRQHHQSA-N 1 0 371.403 3.178 10 0 FGAERO CC(C)c1nc([C@@H]2CCCN2C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)no1 ZINC000177498424 496086768 /nfs/dbraw/zinc/08/67/68/496086768.db2.gz MICBSGAABLNZSX-HOTGVXAUSA-N 1 0 363.506 3.160 10 0 FGAERO CC(C)c1nc([C@@H]2CCCN2C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)no1 ZINC000177498450 496087150 /nfs/dbraw/zinc/08/71/50/496087150.db2.gz MICBSGAABLNZSX-CVEARBPZSA-N 1 0 363.506 3.160 10 0 FGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1nc(C(C)(C)C)cs1 ZINC000174759416 496094750 /nfs/dbraw/zinc/09/47/50/496094750.db2.gz UOKFIAZYUBPVOJ-UONOGXRCSA-N 1 0 350.532 3.209 10 0 FGAERO Cc1ccccc1CN(C)C(=O)C[NH2+][C@H](C)c1cccc(-n2ccnc2)c1 ZINC000180668528 496096825 /nfs/dbraw/zinc/09/68/25/496096825.db2.gz UKJCEVCSJDEHBA-GOSISDBHSA-N 1 0 362.477 3.490 10 0 FGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1csc(-c2ccc(F)c(F)c2)n1 ZINC000183784855 496116073 /nfs/dbraw/zinc/11/60/73/496116073.db2.gz DCTCWIMSJANPLE-WCQYABFASA-N 1 0 363.433 3.397 10 0 FGAERO Cc1csc([C@H]2CCCN(C(=O)NC[C@H]3CCC[N@H+]3CC(C)C)C2)n1 ZINC000152377934 496133094 /nfs/dbraw/zinc/13/30/94/496133094.db2.gz NWVZGJMBWDFWMS-DLBZAZTESA-N 1 0 364.559 3.461 10 0 FGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(-n2cnc3ccccc32)cc1 ZINC000172057781 496145471 /nfs/dbraw/zinc/14/54/71/496145471.db2.gz BLOJGMNRHTZLOM-VQIMIIECSA-N 1 0 360.461 3.334 10 0 FGAERO COc1ccc([C@H](C)NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)cc1OC ZINC000172114012 496170953 /nfs/dbraw/zinc/17/09/53/496170953.db2.gz ICHZAKUCFCANIY-KSSFIOAISA-N 1 0 365.518 3.430 10 0 FGAERO Cc1cc(NC(=O)N[C@H](C[NH+](C)C)c2ccccc2)ccc1C(=O)N(C)C ZINC000152527788 496177808 /nfs/dbraw/zinc/17/78/08/496177808.db2.gz WDKSSILGILPACJ-LJQANCHMSA-N 1 0 368.481 3.121 10 0 FGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCCOc1ccc(CCOC)cc1 ZINC000174959859 496183344 /nfs/dbraw/zinc/18/33/44/496183344.db2.gz JWQVMILCDXOKAR-WOJBJXKFSA-N 1 0 374.525 3.120 10 0 FGAERO COc1ccc([C@@H](C)[NH2+]C[C@@H]2CN(c3ccccc3)C(=O)O2)cc1OC ZINC000180890147 496188614 /nfs/dbraw/zinc/18/86/14/496188614.db2.gz DLIRQLGSIPQOII-RHSMWYFYSA-N 1 0 356.422 3.380 10 0 FGAERO c1sc(-c2ccc3c(c2)OCO3)nc1CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177772722 496190045 /nfs/dbraw/zinc/19/00/45/496190045.db2.gz SWRDLNCVCHOFBU-MRXNPFEDSA-N 1 0 357.479 3.209 10 0 FGAERO C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177781234 496192721 /nfs/dbraw/zinc/19/27/21/496192721.db2.gz UDKQMQRLJYYLTP-GXTWGEPZSA-N 1 0 356.297 3.491 10 0 FGAERO C[C@@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1ncc(Br)s1 ZINC000180931672 496204818 /nfs/dbraw/zinc/20/48/18/496204818.db2.gz GHCGVQCGZURKKE-MNOVXSKESA-N 1 0 368.304 3.015 10 0 FGAERO C[C@H](c1cccc(Cl)c1F)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000186982365 496239684 /nfs/dbraw/zinc/23/96/84/496239684.db2.gz FPNJRMSYOAPHIV-CQSZACIVSA-N 1 0 350.869 3.482 10 0 FGAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2cc(F)c(N3CCCCC3)c(F)c2)C1 ZINC000181016830 496242136 /nfs/dbraw/zinc/24/21/36/496242136.db2.gz KIXYIONXKLRVMR-CQSZACIVSA-N 1 0 352.429 3.123 10 0 FGAERO CCC[C@H](C(=O)NC[C@@H]1CCN(c2cc(Cl)ccc2C)C1)[NH+](C)C ZINC000161932719 496265785 /nfs/dbraw/zinc/26/57/85/496265785.db2.gz VQHXPSWTWUXEHU-DOTOQJQBSA-N 1 0 351.922 3.321 10 0 FGAERO CCn1cnnc1[C@H]1CCC[N@H+](Cc2ncc(-c3cccc(F)c3)o2)C1 ZINC000175149564 496267311 /nfs/dbraw/zinc/26/73/11/496267311.db2.gz KPIAEMYATHVVRS-HNNXBMFYSA-N 1 0 355.417 3.472 10 0 FGAERO CCn1cc(CN2CCCN(C(=O)c3cccc(Cl)c3F)CC2)cn1 ZINC000152862935 496278713 /nfs/dbraw/zinc/27/87/13/496278713.db2.gz KLENKRZFTFIBCK-UHFFFAOYSA-N 1 0 364.852 3.044 10 0 FGAERO CCC[C@@H](C(=O)Nc1ccc(OCc2noc(C3CC3)n2)cc1)[NH+](C)C ZINC000162086748 496292936 /nfs/dbraw/zinc/29/29/36/496292936.db2.gz KIPKNQGCTKDBSX-INIZCTEOSA-N 1 0 358.442 3.195 10 0 FGAERO C[C@H](NC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)[C@@H]1CCCO1 ZINC000187135491 496308344 /nfs/dbraw/zinc/30/83/44/496308344.db2.gz BVERITVJAJEXLB-RCBQFDQVSA-N 1 0 373.419 3.175 10 0 FGAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)Nc2cc(F)ccc2Cl)CC1 ZINC000181200831 496309427 /nfs/dbraw/zinc/30/94/27/496309427.db2.gz POTLYCMCGIZMJI-GFCCVEGCSA-N 1 0 357.857 3.036 10 0 FGAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)c2ccc(OC(C)(C)C)cc2)CC1 ZINC000175266776 496315441 /nfs/dbraw/zinc/31/54/41/496315441.db2.gz PETZRJNROYQVNZ-INIZCTEOSA-N 1 0 362.514 3.029 10 0 FGAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)c2ccc(OC(C)(C)C)cc2)CC1 ZINC000175266796 496315858 /nfs/dbraw/zinc/31/58/58/496315858.db2.gz PETZRJNROYQVNZ-MRXNPFEDSA-N 1 0 362.514 3.029 10 0 FGAERO Cc1cc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)ccc1OCC(F)(F)F ZINC000172499865 496317846 /nfs/dbraw/zinc/31/78/46/496317846.db2.gz HPUCOBLYQMCOGY-CQSZACIVSA-N 1 0 357.376 3.248 10 0 FGAERO C[C@H]1CC[C@@H](NC(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)c2ccccc21 ZINC000153080800 496346480 /nfs/dbraw/zinc/34/64/80/496346480.db2.gz OKPBTUQDGYIJNW-LAUBAEHRSA-N 1 0 372.557 3.292 10 0 FGAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2c(SC)cnn2-c2ccccc2)C1 ZINC000178188867 496363315 /nfs/dbraw/zinc/36/33/15/496363315.db2.gz TVKJUPRMYNWHPN-AWEZNQCLSA-N 1 0 359.499 3.200 10 0 FGAERO C[C@H]1CC[C@@H](C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)O1 ZINC000153143163 496365522 /nfs/dbraw/zinc/36/55/22/496365522.db2.gz PASQCPWOLFDKIV-KSSFIOAISA-N 1 0 350.890 3.236 10 0 FGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccc(Br)nc1C ZINC000181361211 496366518 /nfs/dbraw/zinc/36/65/18/496366518.db2.gz QZMCOONKPBMKNO-GFCCVEGCSA-N 1 0 355.280 3.101 10 0 FGAERO C[C@H]1CC[C@@H](NC(=O)N2CCC(C[NH+]3CCOCC3)CC2)c2ccccc21 ZINC000153165030 496371534 /nfs/dbraw/zinc/37/15/34/496371534.db2.gz GDHWMYCEJMORNK-LAUBAEHRSA-N 1 0 371.525 3.379 10 0 FGAERO Cc1nccn1C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H](C)c1ccccc1Cl ZINC000178293307 496400780 /nfs/dbraw/zinc/40/07/80/496400780.db2.gz DSHZLKBPQOLGHV-HOCLYGCPSA-N 1 0 360.889 3.187 10 0 FGAERO Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000178305631 496406299 /nfs/dbraw/zinc/40/62/99/496406299.db2.gz GRUBWHDCECBSQK-OAQYLSRUSA-N 1 0 366.509 3.482 10 0 FGAERO COc1cc(C[N@@H+]2CCC[C@@H]2Cn2ccnc2C)ccc1OC(F)F ZINC000178328685 496414739 /nfs/dbraw/zinc/41/47/39/496414739.db2.gz FUYDEGCFEVEFIA-OAHLLOKOSA-N 1 0 351.397 3.466 10 0 FGAERO CCn1cc(C2CC[NH+](C[C@H]3CN(c4ccccc4)C(=O)O3)CC2)cn1 ZINC000172770577 496423660 /nfs/dbraw/zinc/42/36/60/496423660.db2.gz MAXZLUDXPRQKCZ-IBGZPJMESA-N 1 0 354.454 3.108 10 0 FGAERO CC(C)[C@H](C)NC(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000175525378 496426533 /nfs/dbraw/zinc/42/65/33/496426533.db2.gz MVPJPLDOAMIYJI-SFHVURJKSA-N 1 0 361.530 3.401 10 0 FGAERO Cc1nc(C)c(C[N@H+](C)C[C@@H](c2cccs2)N2CCOCC2)s1 ZINC000172793011 496433506 /nfs/dbraw/zinc/43/35/06/496433506.db2.gz NERKSCIKTPGVOL-HNNXBMFYSA-N 1 0 351.541 3.327 10 0 FGAERO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000153383661 496437684 /nfs/dbraw/zinc/43/76/84/496437684.db2.gz JFMBUSDTDWTOOS-MSOLQXFVSA-N 1 0 374.431 3.364 10 0 FGAERO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000153383572 496437929 /nfs/dbraw/zinc/43/79/29/496437929.db2.gz JFMBUSDTDWTOOS-QZTJIDSGSA-N 1 0 374.431 3.364 10 0 FGAERO COc1cc(C)c(Br)cc1NC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000184558972 496438840 /nfs/dbraw/zinc/43/88/40/496438840.db2.gz FROHUFVQQYXYQQ-LBPRGKRZSA-N 1 0 368.275 3.078 10 0 FGAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@H](C)c2ccc3ccccc3c2)CC1 ZINC000175553507 496439704 /nfs/dbraw/zinc/43/97/04/496439704.db2.gz OOYYIRFKKZXGOG-ROUUACIJSA-N 1 0 368.521 3.495 10 0 FGAERO COc1cccc(C2CC[NH+](C[C@H](O)COCc3ccccc3)CC2)c1 ZINC000175760492 496532791 /nfs/dbraw/zinc/53/27/91/496532791.db2.gz FAKJKNHPMKQDDE-NRFANRHFSA-N 1 0 355.478 3.452 10 0 FGAERO CCOCC[N@@H+]1CCN(CCCc2ccccc2Br)C[C@@H]1C ZINC000181818228 496557906 /nfs/dbraw/zinc/55/79/06/496557906.db2.gz LRHKFTWHQNXHDY-INIZCTEOSA-N 1 0 369.347 3.424 10 0 FGAERO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@@H](CN(C)C)c1ccccc1 ZINC000163794964 496558255 /nfs/dbraw/zinc/55/82/55/496558255.db2.gz XTPCPNYCYPSANX-YOEHRIQHSA-N 1 0 360.889 3.345 10 0 FGAERO COC(=O)c1ccsc1N1CC[C@H]([NH2+][C@H](C)c2cccs2)C1=O ZINC000173194115 496587796 /nfs/dbraw/zinc/58/77/96/496587796.db2.gz SBHPGNRZQZRBEX-PWSUYJOCSA-N 1 0 350.465 3.052 10 0 FGAERO C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1cc2cc(Br)ccc2o1 ZINC000181935766 496604496 /nfs/dbraw/zinc/60/44/96/496604496.db2.gz WMLBDBIEJQJAFY-MFKMUULPSA-N 1 0 361.243 3.452 10 0 FGAERO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](c2cccs2)N2CCO[C@H](C)C2)C12CCC2 ZINC000181941165 496607119 /nfs/dbraw/zinc/60/71/19/496607119.db2.gz GNDDLQOHVYZWBE-KCITZHQASA-N 1 0 364.555 3.447 10 0 FGAERO O=C(c1ccc(C[NH+]2CCC(CO)CC2)cc1)N1CCC[C@H]1c1ccco1 ZINC000164414411 496611005 /nfs/dbraw/zinc/61/10/05/496611005.db2.gz HJYRZOCFYUEXOA-FQEVSTJZSA-N 1 0 368.477 3.461 10 0 FGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H](C)c1ccc(Br)cc1 ZINC000164507441 496615718 /nfs/dbraw/zinc/61/57/18/496615718.db2.gz YMNHMLDLDSVOCQ-XJKSGUPXSA-N 1 0 353.304 3.495 10 0 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/nfs/dbraw/zinc/10/14/80/497101480.db2.gz NNVKKOAODUZCJZ-KURKYZTESA-N 1 0 374.529 3.071 10 0 FGAERO [NH3+]CCC1CCN(c2ncc(Br)cc2C(F)(F)F)CC1 ZINC000236169079 497115705 /nfs/dbraw/zinc/11/57/05/497115705.db2.gz PNVXREDCJSSKKX-UHFFFAOYSA-N 1 0 352.198 3.428 10 0 FGAERO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCCN(c3cccc(F)c3)C2)C12CCOCC2 ZINC000248920797 497135308 /nfs/dbraw/zinc/13/53/08/497135308.db2.gz FBNQLXYCJYGXJB-YSIASYRMSA-N 1 0 362.489 3.358 10 0 FGAERO CCO[C@@H]1C[C@H]([NH2+][C@H](CCC(=O)OC)c2ccccc2)C12CCOCC2 ZINC000248995596 497147694 /nfs/dbraw/zinc/14/76/94/497147694.db2.gz LZPPUSZAFSVUGB-CEXWTWQISA-N 1 0 361.482 3.245 10 0 FGAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc3c(c2)OCCCO3)C12CCOCC2 ZINC000248998421 497149620 /nfs/dbraw/zinc/14/96/20/497149620.db2.gz MOPHFJHHWYNYDB-CDHQVMDDSA-N 1 0 361.482 3.473 10 0 FGAERO CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000236875098 497161975 /nfs/dbraw/zinc/16/19/75/497161975.db2.gz KWENAYCOLNATEX-IDHHARJASA-N 1 0 365.468 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FGAERO C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000263287666 497750107 /nfs/dbraw/zinc/75/01/07/497750107.db2.gz VHYGBGBXQVYEEM-HSMVNMDESA-N 1 0 358.408 3.042 10 0 FGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccccc1OC(F)F ZINC000246537631 497768024 /nfs/dbraw/zinc/76/80/24/497768024.db2.gz YBIAETCVNYFURG-CABCVRRESA-N 1 0 353.413 3.056 10 0 FGAERO CC(C)CCO[C@H](C)C(=O)NC[C@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000246659438 497796314 /nfs/dbraw/zinc/79/63/14/497796314.db2.gz CEUNZYWDMZGTEF-BRWVUGGUSA-N 1 0 368.543 3.077 10 0 FGAERO C[C@H](CCc1ccc(F)cc1F)[NH2+]C1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263536539 497797851 /nfs/dbraw/zinc/79/78/51/497797851.db2.gz ZNDYQAPNEJPMHN-NLNFPOJYSA-N 1 0 366.452 3.203 10 0 FGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCc1csc(-c2ccccc2)n1 ZINC000246737148 497806684 /nfs/dbraw/zinc/80/66/84/497806684.db2.gz YBPAKASBMYMILV-YJBOKZPZSA-N 1 0 370.522 3.231 10 0 FGAERO C[C@H](OC[C@@H](O)C[N@@H+]1CC[C@@H](c2cnn(C)c2)C1)c1ccc(Cl)cc1 ZINC000246798981 497811778 /nfs/dbraw/zinc/81/17/78/497811778.db2.gz AVSBFFPCHABYHW-GMBSWORKSA-N 1 0 363.889 3.002 10 0 FGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cc(Cl)ccc1N(C)C ZINC000246825024 497814084 /nfs/dbraw/zinc/81/40/84/497814084.db2.gz AVTMHTDTVLUXAE-GJZGRUSLSA-N 1 0 350.894 3.497 10 0 FGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(C)nc2c1cnn2C(C)C ZINC000246849611 497816315 /nfs/dbraw/zinc/81/63/15/497816315.db2.gz CFXILUMKHUTSHP-CVEARBPZSA-N 1 0 355.486 3.019 10 0 FGAERO CCC(CC)[C@H](C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1)N1CCOCC1 ZINC000246854485 497816602 /nfs/dbraw/zinc/81/66/02/497816602.db2.gz VDPPBYXHRXYRMW-BZUAXINKSA-N 1 0 364.452 3.361 10 0 FGAERO CC[C@@H]1CN(C(=O)c2cccc(-c3nc(C)cs3)c2)CC[N@@H+]1C[C@H](C)O ZINC000246905553 497819638 /nfs/dbraw/zinc/81/96/38/497819638.db2.gz PVMSAHDZNULYCH-MAUKXSAKSA-N 1 0 373.522 3.036 10 0 FGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(-n2ccnc2SC)cc1 ZINC000246937284 497821221 /nfs/dbraw/zinc/82/12/21/497821221.db2.gz KOKPJZCRABVWAM-WMZOPIPTSA-N 1 0 370.522 3.293 10 0 FGAERO CCOC(=O)c1cnc2ccc(F)cc2c1N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000301684411 498223003 /nfs/dbraw/zinc/22/30/03/498223003.db2.gz TXGAGDJXSVXWTN-AWEZNQCLSA-N 1 0 359.445 3.329 10 0 FGAERO CCc1nc(Cl)c(C)c(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC000301990868 498359404 /nfs/dbraw/zinc/35/94/04/498359404.db2.gz PJXGHUGXNBWTEK-OKILXGFUSA-N 1 0 366.937 3.326 10 0 FGAERO C[C@@H]1C[C@@H](CNc2ccc(S(C)(=O)=O)cc2)C[N@@H+]1Cc1ccccc1 ZINC000302066012 498394533 /nfs/dbraw/zinc/39/45/33/498394533.db2.gz FDTFKXGDWIQQRH-AEFFLSMTSA-N 1 0 358.507 3.413 10 0 FGAERO CC(C)(C)[C@@H](O)C[NH2+]Cc1c(Br)cncc1Br ZINC000290809394 498686161 /nfs/dbraw/zinc/68/61/61/498686161.db2.gz GAVSQTJAPOTHSL-NSHDSACASA-N 1 0 366.097 3.103 10 0 FGAERO C[N@H+](C[C@H](O)c1ccc(F)cc1)C[C@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000328656710 498891787 /nfs/dbraw/zinc/89/17/87/498891787.db2.gz ZPHJCQREOQVJHH-DOMZBBRYSA-N 1 0 371.378 3.269 10 0 FGAERO COc1cc(CC(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)ccc1O ZINC000379705409 499542907 /nfs/dbraw/zinc/54/29/07/499542907.db2.gz NQSNGBQCMCHQKI-LJQANCHMSA-N 1 0 368.477 3.114 10 0 FGAERO C[C@@H](C[N@H+](C)Cc1ccccc1)Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000388540522 499550997 /nfs/dbraw/zinc/55/09/97/499550997.db2.gz QYBBLKNVBWLFEN-AWEZNQCLSA-N 1 0 351.410 3.470 10 0 FGAERO COc1ccccc1/C=C\C[NH+]1CCC(N(C)CC(=O)OC(C)(C)C)CC1 ZINC000426385438 500267508 /nfs/dbraw/zinc/26/75/08/500267508.db2.gz NYBGAPOISBANHG-NTMALXAHSA-N 1 0 374.525 3.446 10 0 FGAERO CCc1nc(CN(C)C[C@@H]2CCC[N@@H+](CC)[C@H]2c2cnn(C)c2)cs1 ZINC000583615559 506878151 /nfs/dbraw/zinc/87/81/51/506878151.db2.gz IMXLIGZHEUKIHR-HNAYVOBHSA-N 1 0 361.559 3.344 10 0 FGAERO COCC[N@H+](Cc1ccccc1C)Cc1cc2ccccc2n(C)c1=O ZINC000055284900 523757192 /nfs/dbraw/zinc/75/71/92/523757192.db2.gz VVDXELGTAQGYCO-UHFFFAOYSA-N 1 0 350.462 3.496 10 0 FGAERO Cn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1ccc(F)c(Br)c1 ZINC000275724858 527472285 /nfs/dbraw/zinc/47/22/85/527472285.db2.gz ZHDZEYRWJRNQTR-GJZGRUSLSA-N 1 0 368.250 3.332 10 0 FGAERO COc1cc(C[NH2+][C@@H](C)c2cccs2)cc(Cl)c1OCC(N)=O ZINC000027399909 695693620 /nfs/dbraw/zinc/69/36/20/695693620.db2.gz ACUDYOPHVDDUMG-JTQLQIEISA-N 1 0 354.859 3.125 10 0 FGAERO Cc1ccc(Cl)cc1NC(=O)C(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000049380104 695894582 /nfs/dbraw/zinc/89/45/82/695894582.db2.gz VEIOWLMUAMARER-QGZVFWFLSA-N 1 0 359.857 3.006 10 0 FGAERO COc1cc(C[N@@H+]2CCC[C@@H]2CNC(=O)OC(C)(C)C)cc(OC)c1 ZINC000093757538 700454047 /nfs/dbraw/zinc/45/40/47/700454047.db2.gz SDQAJYPBLROHLY-OAHLLOKOSA-N 1 0 350.459 3.193 10 0 FGAERO CS[C@H]1CCC[C@H]([NH2+]Cc2c(C(C)C)nn(C)c2N2CCOCC2)C1 ZINC000117393325 700603488 /nfs/dbraw/zinc/60/34/88/700603488.db2.gz OVVZLVUBRLHAOB-HOTGVXAUSA-N 1 0 366.575 3.144 10 0 FGAERO Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)N[C@@H]3CC[NH2+]C3)cc12 ZINC000126731138 700752005 /nfs/dbraw/zinc/75/20/05/700752005.db2.gz LRMYCQKHCAYTBE-CQSZACIVSA-N 1 0 374.897 3.200 10 0 FGAERO O=C(N[C@@H]1CC[NH2+]C1)C1(c2cccc(Br)c2)CCCCC1 ZINC000127119519 700757655 /nfs/dbraw/zinc/75/76/55/700757655.db2.gz HDVBWHQVTYMCKS-OAHLLOKOSA-N 1 0 351.288 3.129 10 0 FGAERO O=C(CC[N@@H+]1CC[C@@H](Oc2cccnc2)C1)Nc1ccc(Cl)cc1F ZINC000152570896 704966695 /nfs/dbraw/zinc/96/66/95/704966695.db2.gz MUGMCDYJVSTCBX-OAHLLOKOSA-N 1 0 363.820 3.356 10 0 FGAERO Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])c2cc(Br)ccc2n1 ZINC000157642459 705159423 /nfs/dbraw/zinc/15/94/23/705159423.db2.gz HLUBJNPCVDZBAL-IAQYHMDHSA-N 1 0 362.271 3.163 10 0 FGAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)CCSc1ccccc1Br ZINC000157721203 705161988 /nfs/dbraw/zinc/16/19/88/705161988.db2.gz QRFPPXVOAYFLPS-DGCLKSJQSA-N 1 0 357.317 3.175 10 0 FGAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)C1(c2ccc(Br)cc2)CCC1 ZINC000157918612 705168217 /nfs/dbraw/zinc/16/82/17/705168217.db2.gz NFHSKLLYJQXULM-IUODEOHRSA-N 1 0 351.288 3.114 10 0 FGAERO CCn1cc(CN2CCC[N@H+](Cc3cc(Cl)cc(C)c3O)CC2)cn1 ZINC000180112343 705728166 /nfs/dbraw/zinc/72/81/66/705728166.db2.gz KKBBILLPNHLQMN-UHFFFAOYSA-N 1 0 362.905 3.278 10 0 FGAERO Cc1nc(Br)ccc1NC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000181361873 705789972 /nfs/dbraw/zinc/78/99/72/705789972.db2.gz MHICUGNGVCZVBU-GWCFXTLKSA-N 1 0 355.280 3.003 10 0 FGAERO C[C@H]([NH2+]CC(=O)NCCO[C@H]1CCCC[C@@H]1C)c1ccc(F)c(F)c1 ZINC000181627056 705801531 /nfs/dbraw/zinc/80/15/31/705801531.db2.gz PSNWDHKQFHJNAU-DEYYWGMASA-N 1 0 354.441 3.327 10 0 FGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000182655722 705855511 /nfs/dbraw/zinc/85/55/11/705855511.db2.gz GFKPFAVJTUBSDM-NSHDSACASA-N 1 0 372.263 3.063 10 0 FGAERO COC(=O)c1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000182966831 705871011 /nfs/dbraw/zinc/87/10/11/705871011.db2.gz RQTFGYSENMXQAB-JTQLQIEISA-N 1 0 352.843 3.477 10 0 FGAERO Cc1cccc(Cc2cnc(NC(=O)C[NH2+][C@@H](C)[C@H]3CCCO3)s2)c1 ZINC000183182515 705881006 /nfs/dbraw/zinc/88/10/06/705881006.db2.gz HSKBHUJOAYCYNU-WMLDXEAASA-N 1 0 359.495 3.138 10 0 FGAERO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@@H](CN(C)C)c2ccccc2)cc1 ZINC000184904808 712678471 /nfs/dbraw/zinc/67/84/71/712678471.db2.gz PHUCZKHNIDVEJH-PXNSSMCTSA-N 1 0 360.523 3.050 10 0 FGAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(Br)ncc1Cl ZINC000188957031 712782387 /nfs/dbraw/zinc/78/23/87/712782387.db2.gz YMWRDAWMDDFMTN-LLVKDONJSA-N 1 0 374.710 3.348 10 0 FGAERO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(C(=O)COC2CCCCC2)C1 ZINC000190513577 712816461 /nfs/dbraw/zinc/81/64/61/712816461.db2.gz ZEVDYPZQSPOKME-INIZCTEOSA-N 1 0 365.543 3.081 10 0 FGAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 ZINC000193496026 712893376 /nfs/dbraw/zinc/89/33/76/712893376.db2.gz SEGVKXRFLUETND-GXTWGEPZSA-N 1 0 358.463 3.057 10 0 FGAERO Cc1cc(NC(=O)CC[NH2+][C@H](C)c2ccccc2Br)no1 ZINC000194076641 713509872 /nfs/dbraw/zinc/50/98/72/713509872.db2.gz JJQMUXLLMBIIMJ-LLVKDONJSA-N 1 0 352.232 3.425 10 0 FGAERO COc1cc(C(=O)NCC[NH+]2CCCC2)cc2oc(Br)cc21 ZINC000223645523 713570480 /nfs/dbraw/zinc/57/04/80/713570480.db2.gz KFLPXHJKTLIMNB-UHFFFAOYSA-N 1 0 367.243 3.030 10 0 FGAERO COc1cc(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])cc(Cl)c1OCC(C)C ZINC000237270078 713590109 /nfs/dbraw/zinc/59/01/09/713590109.db2.gz QRIDWYLRHPYUIT-SWLSCSKDSA-N 1 0 354.878 3.241 10 0 FGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)Nc1ccccc1SC(F)F ZINC000245436194 713605281 /nfs/dbraw/zinc/60/52/81/713605281.db2.gz QVRADXGVTMHVCV-KGLIPLIRSA-N 1 0 369.481 3.498 10 0 FGAERO O=C1[C@H]([N@H+]2CC[C@@]3(O)CCCC[C@H]3C2)CCN1c1ccc(F)c(Cl)c1 ZINC000245615997 713608079 /nfs/dbraw/zinc/60/80/79/713608079.db2.gz YCTRLTGXUBMYOJ-IRWQIABSSA-N 1 0 366.864 3.211 10 0 FGAERO C[C@H](Sc1ccc(Br)cc1)C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000246564691 713626232 /nfs/dbraw/zinc/62/62/32/713626232.db2.gz UOSHKLGDELEYRY-MJVIPROJSA-N 1 0 357.317 3.173 10 0 FGAERO CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000247235391 713637857 /nfs/dbraw/zinc/63/78/57/713637857.db2.gz YFPAATSQLVNNHO-ZWKOTPCHSA-N 1 0 353.551 3.344 10 0 FGAERO CC(C)(C)OC(=O)N1CCC[C@H](C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)C1 ZINC000248157199 713646591 /nfs/dbraw/zinc/64/65/91/713646591.db2.gz RMTJXVPFIFLSPO-UWVAXJGDSA-N 1 0 352.519 3.261 10 0 FGAERO CC(C)(C)OC(=O)N1CCC(C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)CC1 ZINC000248183736 713646950 /nfs/dbraw/zinc/64/69/50/713646950.db2.gz WYJVDGUXKMBBFO-FXAWDEMLSA-N 1 0 352.519 3.261 10 0 FGAERO CCO[C@@H]1C[C@]([NH3+])(C(=O)N[C@H](C)c2cccc(Br)c2)C1(C)C ZINC000249092346 713663864 /nfs/dbraw/zinc/66/38/64/713663864.db2.gz HGAWLNIIRHKYCM-ZLENFMNRSA-N 1 0 369.303 3.159 10 0 FGAERO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@H]1CCCC[C@H]1CO ZINC000252696062 713673725 /nfs/dbraw/zinc/67/37/25/713673725.db2.gz LSIGUDDHBHSOKB-HFTRVMKXSA-N 1 0 352.906 3.218 10 0 FGAERO C/C(=C/c1ccccc1Cl)C(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000255026339 713680533 /nfs/dbraw/zinc/68/05/33/713680533.db2.gz RPFBLKJITUGHEC-RTYFKUQISA-N 1 0 364.917 3.295 10 0 FGAERO Cc1nc(-c2nc(C3([NH3+])CCC3)no2)nn1-c1c(Cl)cccc1Cl ZINC000261859367 713715488 /nfs/dbraw/zinc/71/54/88/713715488.db2.gz UGMCRPAJKNOBND-UHFFFAOYSA-N 1 0 365.224 3.270 10 0 FGAERO CCOc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)OC(C)(C)C)cc1OC ZINC000305983498 713794074 /nfs/dbraw/zinc/79/40/74/713794074.db2.gz FWYQZEKKSZUMHX-AWEZNQCLSA-N 1 0 352.475 3.439 10 0 FGAERO C[C@H](C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)N(C)C(=O)OC(C)(C)C ZINC000310003964 713797701 /nfs/dbraw/zinc/79/77/01/713797701.db2.gz GRNNDGBOGPCKFQ-CYBMUJFWSA-N 1 0 359.511 3.135 10 0 FGAERO O=C([O-])c1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)s1 ZINC000311079371 713801652 /nfs/dbraw/zinc/80/16/52/713801652.db2.gz LMYXRFIXFRJOBY-BPQIPLTHSA-N 1 0 356.491 3.447 10 0 FGAERO CC[N@@H+]1CCC[C@@H](CN(C)c2nc(C3CC3)ns2)[C@@H]1c1cnn(C)c1 ZINC000333076812 713838044 /nfs/dbraw/zinc/83/80/44/713838044.db2.gz WEZZYHCWWDDJNC-GOEBONIOSA-N 1 0 360.531 3.058 10 0 FGAERO Cc1ccnc(N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1Br ZINC000630529194 716470941 /nfs/dbraw/zinc/47/09/41/716470941.db2.gz RBICGHZTIKETSA-UWVGGRQHSA-N 1 0 352.198 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CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000177101805 495925975 /nfs/dbraw/zinc/92/59/75/495925975.db2.gz WMJWHASWMNPJIV-QGZVFWFLSA-N 1 0 352.482 3.090 10 0 FGAERO OCCCCCC[NH2+][C@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186309416 495940820 /nfs/dbraw/zinc/94/08/20/495940820.db2.gz URUVVPCCSHBKDH-QGZVFWFLSA-N 1 0 364.287 3.471 10 0 FGAERO O=C1[C@H]([NH+]2CCC(Cn3cccn3)CC2)CCN1c1cccc(Cl)c1 ZINC000177139437 495944471 /nfs/dbraw/zinc/94/44/71/495944471.db2.gz LUINNYQUPOWOFZ-GOSISDBHSA-N 1 0 358.873 3.054 10 0 FGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(OCC(F)(F)F)c1 ZINC000177150966 495951268 /nfs/dbraw/zinc/95/12/68/495951268.db2.gz DZEBKWARTIXQOA-GXTWGEPZSA-N 1 0 357.376 3.328 10 0 FGAERO Cc1cccc(NC[C@@H]2CCN(CC(=O)Nc3cc(C(C)(C)C)no3)C2)[nH+]1 ZINC000171651319 495969745 /nfs/dbraw/zinc/96/97/45/495969745.db2.gz YXKLMZRDXKIWQI-HNNXBMFYSA-N 1 0 371.485 3.048 10 0 FGAERO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(OC)ccc2OC(F)F)C12CCOCC2 ZINC000186382764 495975600 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373.541 3.215 10 0 FGAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(Br)cc2C(F)(F)F)C1 ZINC000180505027 496023842 /nfs/dbraw/zinc/02/38/42/496023842.db2.gz CXNKGTOBFHHQSL-SNVBAGLBSA-N 1 0 365.193 3.244 10 0 FGAERO CC(C)Oc1ccc(Br)cc1NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000152025438 496024902 /nfs/dbraw/zinc/02/49/02/496024902.db2.gz BPAKQIZUDYPGPH-ZDUSSCGKSA-N 1 0 370.291 3.404 10 0 FGAERO COc1cccc(C[C@H]([NH2+][C@H]2CCc3nnc(C(C)C)n3C2)C2CC2)c1 ZINC000180509422 496025583 /nfs/dbraw/zinc/02/55/83/496025583.db2.gz YBOMEDHNEFJTBF-HKUYNNGSSA-N 1 0 354.498 3.336 10 0 FGAERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@@H](C)c1cnn(Cc3ccccc3)c1)CC2 ZINC000180508919 496026189 /nfs/dbraw/zinc/02/61/89/496026189.db2.gz OGNISKWWBUICIW-LPHOPBHVSA-N 1 0 364.497 3.312 10 0 FGAERO COc1ccc([C@@H](C)[NH2+][C@H]2CCc3nnc(C(C)C)n3C2)cc1NC(C)=O ZINC000180518011 496029543 /nfs/dbraw/zinc/02/95/43/496029543.db2.gz UGCOLNVTSUKPEV-CJNGLKHVSA-N 1 0 371.485 3.034 10 0 FGAERO O[C@@]12CCCC[C@@H]1CN(Cc1ccc(I)cc1)CC2 ZINC000160728752 496029760 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ZINC000177507106 496089837 /nfs/dbraw/zinc/08/98/37/496089837.db2.gz RUHBXPVJRIOEJL-QZTJIDSGSA-N 1 0 367.493 3.196 10 0 FGAERO C[C@@H]([NH2+]C[C@H](O)COCc1ccccc1F)c1cccc(-n2ccnc2)c1 ZINC000180663875 496094499 /nfs/dbraw/zinc/09/44/99/496094499.db2.gz MGFMDQJVIVZANW-UZLBHIALSA-N 1 0 369.440 3.240 10 0 FGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(NC(=O)C(C)C)c1 ZINC000177520531 496096109 /nfs/dbraw/zinc/09/61/09/496096109.db2.gz MLXWVOYZMZQCGL-ZWKOTPCHSA-N 1 0 358.486 3.372 10 0 FGAERO COc1ccc(OCc2nc(C[NH2+][C@@H]3CCCC[C@@H]3CO)cs2)cc1 ZINC000152319692 496115328 /nfs/dbraw/zinc/11/53/28/496115328.db2.gz MRURCVJAPZXDAK-RDTXWAMCSA-N 1 0 362.495 3.371 10 0 FGAERO CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000172053241 496143425 /nfs/dbraw/zinc/14/34/25/496143425.db2.gz FUGJEVUUHUZEIU-MJGOQNOKSA-N 1 0 354.498 3.035 10 0 FGAERO O=C(CCN1CC[N@@H+]2CCCC[C@@H]2C1)Nc1c(Cl)cccc1Cl ZINC000177754279 496183937 /nfs/dbraw/zinc/18/39/37/496183937.db2.gz ZOBHWCCOCGNETJ-CYBMUJFWSA-N 1 0 356.297 3.492 10 0 FGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1ccc(Br)s1 ZINC000174990201 496197754 /nfs/dbraw/zinc/19/77/54/496197754.db2.gz QOFXZZPXWAYXEE-NWDGAFQWSA-N 1 0 357.317 3.138 10 0 FGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cnn(-c2ccc(Cl)cc2)c1 ZINC000175013394 496207022 /nfs/dbraw/zinc/20/70/22/496207022.db2.gz YWEQBGNHQZOZNY-SJLPKXTDSA-N 1 0 358.873 3.225 10 0 FGAERO COCc1nc2n(n1)C[C@H]([NH2+][C@@H](c1ccccc1)c1ccccc1C)CC2 ZINC000180939355 496209051 /nfs/dbraw/zinc/20/90/51/496209051.db2.gz BADZXILQLPYUQW-GCJKJVERSA-N 1 0 362.477 3.427 10 0 FGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCCOc1cccc(C(C)=O)c1 ZINC000175018055 496209867 /nfs/dbraw/zinc/20/98/67/496209867.db2.gz HCTVJNIVSISFJW-RTBURBONSA-N 1 0 358.482 3.133 10 0 FGAERO CC[C@H]1CN(Cc2cc(-c3ccncc3)ccc2OC)CC[N@@H+]1C[C@@H](C)O ZINC000186940710 496221000 /nfs/dbraw/zinc/22/10/00/496221000.db2.gz LRVVQYRORGKUJR-UTKZUKDTSA-N 1 0 369.509 3.034 10 0 FGAERO CCC[C@H](C(=O)NC[C@H]1CCN(c2cc(Cl)ccc2C)C1)[NH+](C)C ZINC000161932983 496265768 /nfs/dbraw/zinc/26/57/68/496265768.db2.gz VQHXPSWTWUXEHU-NVXWUHKLSA-N 1 0 351.922 3.321 10 0 FGAERO C[C@H]1CCCC[C@@H]1OCC(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1 ZINC000152993785 496319279 /nfs/dbraw/zinc/31/92/79/496319279.db2.gz PLGHWCLZCOSZFY-YJBOKZPZSA-N 1 0 361.486 3.088 10 0 FGAERO C[NH+]1CCC(Oc2ccc(NC(=O)c3cccc4c3CCC4)cn2)CC1 ZINC000152997156 496320340 /nfs/dbraw/zinc/32/03/40/496320340.db2.gz MLNHMODOJANNBN-UHFFFAOYSA-N 1 0 351.450 3.296 10 0 FGAERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)Nc1ccc(OC2COC2)cc1 ZINC000187166472 496322082 /nfs/dbraw/zinc/32/20/82/496322082.db2.gz LJMFPNYZSWRIJB-INIZCTEOSA-N 1 0 369.465 3.106 10 0 FGAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1nnc(-c2ccc(Br)o2)o1 ZINC000175333554 496344301 /nfs/dbraw/zinc/34/43/01/496344301.db2.gz VYKTZDNMKLPQCZ-NSHDSACASA-N 1 0 369.263 3.008 10 0 FGAERO Cc1ccc(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1OCC1CCOCC1 ZINC000172646634 496373481 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CC(C)OC(=O)C[C@@H]1CCC[N@H+](CCN(C)Cc2ccc(F)cc2)C1 ZINC000187554687 496488523 /nfs/dbraw/zinc/48/85/23/496488523.db2.gz KGSHTTYDKWMDNL-SFHVURJKSA-N 1 0 350.478 3.311 10 0 FGAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)N[C@@H](C)c2ccccc2Cl)CC1 ZINC000184709354 496501596 /nfs/dbraw/zinc/50/15/96/496501596.db2.gz ZJMJEUMJRFOFOY-CABCVRRESA-N 1 0 367.921 3.135 10 0 FGAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2ncccc2OCc2cccc(Cl)c2)C1 ZINC000163345450 496502494 /nfs/dbraw/zinc/50/24/94/496502494.db2.gz CFSCDBHUORAYEV-MRXNPFEDSA-N 1 0 374.872 3.482 10 0 FGAERO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1cc(Cl)c(C)cc1Cl ZINC000163388003 496508999 /nfs/dbraw/zinc/50/89/99/496508999.db2.gz SMNUWXFNPNLRPZ-NSHDSACASA-N 1 0 360.285 3.087 10 0 FGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(OCCOC)cc1C ZINC000181727027 496519994 /nfs/dbraw/zinc/51/99/94/496519994.db2.gz DTKCUSUBJBZMRK-IAGOWNOFSA-N 1 0 361.486 3.111 10 0 FGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NCc1nc2ccccc2n1C1CC1 ZINC000184772621 496526315 /nfs/dbraw/zinc/52/63/15/496526315.db2.gz WAQNELRFPNDWFC-OAHLLOKOSA-N 1 0 357.502 3.147 10 0 FGAERO C[C@@H]([NH3+])CCNC(=O)c1csc(-c2ccc(Br)s2)n1 ZINC000178678591 496537646 /nfs/dbraw/zinc/53/76/46/496537646.db2.gz ICFRIGIHBFVMJM-SSDOTTSWSA-N 1 0 360.302 3.101 10 0 FGAERO CC[C@@H]1CN(CCCc2ccccc2Br)CC[N@@H+]1C[C@@H](C)O ZINC000181816326 496556961 /nfs/dbraw/zinc/55/69/61/496556961.db2.gz NOBWISGQZXKKPW-NVXWUHKLSA-N 1 0 369.347 3.159 10 0 FGAERO Cc1nc(C)n(C[C@H]2CCC[N@H+](CCCCC(=O)OC(C)(C)C)C2)n1 ZINC000181850165 496571072 /nfs/dbraw/zinc/57/10/72/496571072.db2.gz BYJMMDKYQLQGKG-KRWDZBQOSA-N 1 0 350.507 3.119 10 0 FGAERO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)C1 ZINC000163985715 496576842 /nfs/dbraw/zinc/57/68/42/496576842.db2.gz OCPPFOBSMQSBKN-BMQTXXJKSA-N 1 0 365.562 3.080 10 0 FGAERO C[N@H+](C[C@@H](O)COC(c1ccccc1)c1ccccc1)C[C@@H]1CCCO1 ZINC000187830802 496587763 /nfs/dbraw/zinc/58/77/63/496587763.db2.gz AMPUYLOVKKNLQU-RTWAWAEBSA-N 1 0 355.478 3.264 10 0 FGAERO Cc1ccc(-n2cc(C(=O)N3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)c(C(C)(C)C)n2)cc1 ZINC000184977146 496607690 /nfs/dbraw/zinc/60/76/90/496607690.db2.gz XOZCKHCDNGHEIV-KVSKMBFKSA-N 1 0 366.509 3.288 10 0 FGAERO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H](C)COCc2ccccc2)C1 ZINC000178908256 496612537 /nfs/dbraw/zinc/61/25/37/496612537.db2.gz VGBFNNWTRBLLSD-ICSRJNTNSA-N 1 0 361.530 3.259 10 0 FGAERO CC(C)OCCN1CCC([NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)CC1 ZINC000158046987 496615030 /nfs/dbraw/zinc/61/50/30/496615030.db2.gz ZYOJZPYERCXSLE-GOSISDBHSA-N 1 0 373.541 3.353 10 0 FGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(C(=O)c2cccc(O)c2)cc1 ZINC000187950612 496629176 /nfs/dbraw/zinc/62/91/76/496629176.db2.gz ORNSHJRHFQYRIS-IBGZPJMESA-N 1 0 366.461 3.180 10 0 FGAERO CCc1nnc(-c2ccc(NC(=O)N(C)C[C@@H]3CCC[N@H+]3CC)cc2)o1 ZINC000176028819 496649980 /nfs/dbraw/zinc/64/99/80/496649980.db2.gz FVAKSAFZKQXYCD-INIZCTEOSA-N 1 0 357.458 3.247 10 0 FGAERO Cc1cc(N2CCC[C@H]([NH2+]C[C@@H](C)c3cccc(Cl)c3)C2=O)n(C)n1 ZINC000188048597 496663090 /nfs/dbraw/zinc/66/30/90/496663090.db2.gz REKROAVJXDZDLR-DYVFJYSZSA-N 1 0 360.889 3.271 10 0 FGAERO Cc1cc(N2CCC[C@H]([NH2+]C[C@H](C)c3cccc(Cl)c3)C2=O)n(C)n1 ZINC000188048648 496663407 /nfs/dbraw/zinc/66/34/07/496663407.db2.gz REKROAVJXDZDLR-GUYCJALGSA-N 1 0 360.889 3.271 10 0 FGAERO COc1ccccc1C[C@@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)C(C)C ZINC000166632216 496690290 /nfs/dbraw/zinc/69/02/90/496690290.db2.gz IONQLAYICWJFNK-UYAOXDASSA-N 1 0 356.514 3.254 10 0 FGAERO CC(C)CNC(=O)c1cccc(C[N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)c1 ZINC000188120394 496691376 /nfs/dbraw/zinc/69/13/76/496691376.db2.gz WHJWEBLJUJRHEL-PMACEKPBSA-N 1 0 372.534 3.342 10 0 FGAERO CC(C)OCC[NH+]1CCC(NC(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000176134996 496699058 /nfs/dbraw/zinc/69/90/58/496699058.db2.gz SJLMAOSDTPAJOR-FQEVSTJZSA-N 1 0 359.514 3.253 10 0 FGAERO O=C(N[C@@H](Cc1ccccc1)C(F)(F)F)NC1CC[NH+](C2CC2)CC1 ZINC000158515452 496716750 /nfs/dbraw/zinc/71/67/50/496716750.db2.gz 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CC[N@@H+]1CCC[C@H](NC(=O)CCCOc2ccccc2Br)C1 ZINC000194661450 713529699 /nfs/dbraw/zinc/52/96/99/713529699.db2.gz HCKDWOAWRGCVME-AWEZNQCLSA-N 1 0 369.303 3.209 10 0 FGAERO Cc1c2ccc(Br)cc2oc1C(=O)N[C@@H]1C[NH+]2CCC1CC2 ZINC000222555377 713569946 /nfs/dbraw/zinc/56/99/46/713569946.db2.gz JRBAVXGHKAFABX-CQSZACIVSA-N 1 0 363.255 3.328 10 0 FGAERO CC[C@@H]1CN(c2ncc(Br)cc2C(F)(F)F)CC[C@@H]1[NH3+] ZINC000233940517 713579349 /nfs/dbraw/zinc/57/93/49/713579349.db2.gz BFWKFUAQDITRFL-KCJUWKMLSA-N 1 0 352.198 3.427 10 0 FGAERO CC(C)[C@H](C[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)N1CCCC1 ZINC000236673476 713582316 /nfs/dbraw/zinc/58/23/16/713582316.db2.gz ABKZMSRWOZZTPR-MSOLQXFVSA-N 1 0 353.551 3.344 10 0 FGAERO CC(C)Oc1cc(Br)cc(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000236696068 713582876 /nfs/dbraw/zinc/58/28/76/713582876.db2.gz ZDLOWVRCJQWHMG-XHDPSFHLSA-N 1 0 355.276 3.094 10 0 FGAERO CCCOc1c(Cl)cc(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])cc1OCC ZINC000237016505 713587004 /nfs/dbraw/zinc/58/70/04/713587004.db2.gz BJLPIMGAXZOKJV-DOMZBBRYSA-N 1 0 354.878 3.385 10 0 FGAERO C[C@H]([NH2+]C[C@@H](O)COC[C@H]1CCCO1)c1c(Cl)ccc(F)c1Cl ZINC000246062099 713616179 /nfs/dbraw/zinc/61/61/79/713616179.db2.gz RKPDYMLKXUASJF-QJPTWQEYSA-N 1 0 366.260 3.340 10 0 FGAERO CC(C)CCO[C@@H]1CC[N@H+](C[C@@H](O)COCc2ccc(Cl)cc2)C1 ZINC000246443159 713624076 /nfs/dbraw/zinc/62/40/76/713624076.db2.gz MDOBVYGPCZECBG-RTBURBONSA-N 1 0 355.906 3.355 10 0 FGAERO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000246464592 713624323 /nfs/dbraw/zinc/62/43/23/713624323.db2.gz WFGNFVXZDVHEIJ-CMZGEBONSA-N 1 0 372.575 3.303 10 0 FGAERO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000246464610 713624476 /nfs/dbraw/zinc/62/44/76/713624476.db2.gz WFGNFVXZDVHEIJ-MFCQHYBXSA-N 1 0 372.575 3.303 10 0 FGAERO C[C@H]1C[N@H+](CCCc2ccc(C(F)(F)F)cc2)C[C@H]1N1CCOCC1 ZINC000246616506 713627470 /nfs/dbraw/zinc/62/74/70/713627470.db2.gz YMWHSBUILKZLIS-MAUKXSAKSA-N 1 0 356.432 3.291 10 0 FGAERO 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CO[C@H](C[NH+]1CCN(CC[C@H](O)c2ccccc2)CC1)c1ccccc1 ZINC000022462965 220386828 /nfs/dbraw/zinc/38/68/28/220386828.db2.gz QSRHLIUOSXVKTG-FCHUYYIVSA-N 1 0 354.494 3.115 10 0 in-man FGAERO [NH3+][C@H](c1ccc2c(c1)COC2)c1ccccc1I ZINC000062332113 221140068 /nfs/dbraw/zinc/14/00/68/221140068.db2.gz UQGBHCXLXZIKEW-OAHLLOKOSA-N 1 0 351.187 3.370 10 0 FGAERO C[N@@H+]1CCCC[C@H]1CCNC(=O)c1ccc(N2Cc3ccccc3C2)nc1 ZINC000067643657 221264781 /nfs/dbraw/zinc/26/47/81/221264781.db2.gz DOQPGNFHKMVKKQ-FQEVSTJZSA-N 1 0 364.493 3.206 10 0 FGAERO Cc1nonc1C[N@@H+](C)C1CCC2(CC1)CCN(C(=O)c1ccco1)CC2 ZINC000067714857 221276186 /nfs/dbraw/zinc/27/61/86/221276186.db2.gz MCLANIHICBHDDC-UHFFFAOYSA-N 1 0 372.469 3.268 10 0 FGAERO CO[C@H]1CCC[N@H+](Cc2ccccc2-c2nc(-c3ccoc3)cc(=O)[nH]2)C1 ZINC000067884832 221300838 /nfs/dbraw/zinc/30/08/38/221300838.db2.gz DCXSEDVEENIUDO-KRWDZBQOSA-N 1 0 365.433 3.308 10 0 FGAERO Oc1cc(-c2ccc(Cl)cn2)cc2c1OCC[N@H+](C[C@@H]1CCOC1)C2 ZINC000067919791 221303585 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C[C@@H]([NH2+]CC(=O)NCC1(c2ccccc2)CC1)c1cccc(-n2ccnc2)c1 ZINC000189905133 497287702 /nfs/dbraw/zinc/28/77/02/497287702.db2.gz QBEPFPLHBGXOQI-GOSISDBHSA-N 1 0 374.488 3.371 10 0 FGAERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccncc1C(F)(F)F ZINC000193127916 497309179 /nfs/dbraw/zinc/30/91/79/497309179.db2.gz QPXHNXWNVUOGGE-ZDUSSCGKSA-N 1 0 351.372 3.351 10 0 FGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(-c2ccccc2)[nH]c1=O ZINC000253548372 497339904 /nfs/dbraw/zinc/33/99/04/497339904.db2.gz GVEXRBFBUICAEB-SJORKVTESA-N 1 0 351.450 3.153 10 0 FGAERO O=C(N[C@@H]1CCCC[C@H]1n1cccn1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000245428755 497401288 /nfs/dbraw/zinc/40/12/88/497401288.db2.gz MSMNPSSFTZCCJN-GUDVDZBRSA-N 1 0 359.518 3.027 10 0 FGAERO CCOc1cc2c(cc1NC(=O)N(C)C[C@H]1CCC[N@@H+]1CC)O[C@H](C)C2 ZINC000245430755 497402400 /nfs/dbraw/zinc/40/24/00/497402400.db2.gz MEOGFVKKTVSJTG-GDBMZVCRSA-N 1 0 361.486 3.357 10 0 FGAERO COc1cccc(CN2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1OC(F)F ZINC000261608775 497418444 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/nfs/dbraw/zinc/16/90/27/220169027.db2.gz VOJXQFUSVGUXJU-UHFFFAOYSA-N 1 0 368.408 3.368 10 0 FGAERO O=c1cc(-c2cccs2)nc([C@@H]2CCC[N@H+](CC3=CCCOC3)C2)[nH]1 ZINC000019344410 220251946 /nfs/dbraw/zinc/25/19/46/220251946.db2.gz RENDACYRXBFDMI-OAHLLOKOSA-N 1 0 357.479 3.025 10 0 FGAERO [NH3+][C@H](c1ccc2c(c1)OCCO2)c1ccccc1I ZINC000019841761 220300910 /nfs/dbraw/zinc/30/09/10/220300910.db2.gz WLPGNIVHHIWQIB-OAHLLOKOSA-N 1 0 367.186 3.111 10 0 FGAERO COc1cc2c(cc1OC)CN([C@@H]1CCC[N@H+](Cc3ccoc3)C1)CC2 ZINC000020776105 220341607 /nfs/dbraw/zinc/34/16/07/220341607.db2.gz BTYMGWXKXPLQHU-LJQANCHMSA-N 1 0 356.466 3.320 10 0 FGAERO CC[C@](O)(c1ccccc1)[C@H](Cc1ccccc1)C[NH+]1CCN(C)CC1 ZINC000022040927 220375800 /nfs/dbraw/zinc/37/58/00/220375800.db2.gz XGYLNPIJMWASIB-PKTZIBPZSA-N 1 0 352.522 3.391 10 0 FGAERO CC[C@@H](C)Oc1ccc(C[NH2+]CCCc2nnc(N)s2)cc1OC ZINC000055325286 221066237 /nfs/dbraw/zinc/06/62/37/221066237.db2.gz YRXFAQICIIBACA-GFCCVEGCSA-N 1 0 350.488 3.029 10 0 FGAERO C[C@@H](CC(N)=O)C[C@@H]([NH3+])c1cc(Br)ccc1Br ZINC000061829602 221135562 /nfs/dbraw/zinc/13/55/62/221135562.db2.gz QDTQNGSHNNZBMG-RDDDGLTNSA-N 1 0 364.081 3.113 10 0 FGAERO CCOc1ccccc1CNC(=O)c1nc(C)n(C2CC[NH+](C)CC2)c1C ZINC000065257273 221190059 /nfs/dbraw/zinc/19/00/59/221190059.db2.gz UJTIBWJLJMIHJT-UHFFFAOYSA-N 1 0 370.497 3.095 10 0 FGAERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(c2cnc3cc(F)c(F)cc3n2)C1 ZINC000190451286 257368467 /nfs/dbraw/zinc/36/84/67/257368467.db2.gz WDRVGKPHQQGLBC-OAHLLOKOSA-N 1 0 369.419 3.261 10 0 FGAERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)COc2ccc(Cl)cc2)C1 ZINC000190585373 257369419 /nfs/dbraw/zinc/36/94/19/257369419.db2.gz JJQKBTLHIKOSFO-KRWDZBQOSA-N 1 0 373.884 3.094 10 0 FGAERO Cc1cc(N)c(NC(=O)c2cccc(Cl)c2)cc1N1CC[NH+](C)CC1 ZINC000226331050 132250579 /nfs/dbraw/zinc/25/05/79/132250579.db2.gz IXHWUSQMYPTFNP-UHFFFAOYSA-N 1 0 358.873 3.235 10 0 FGAERO c1ccc2c(c1)CC(C[NH2+]Cc1cccc3nonc31)(N1CCCCC1)C2 ZINC000020166399 263378871 /nfs/dbraw/zinc/37/88/71/263378871.db2.gz PKEPUZWKOZCMBS-UHFFFAOYSA-N 1 0 362.477 3.336 10 0 FGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)Cc1csc(Cc2ccccc2)n1 ZINC000068223933 493781630 /nfs/dbraw/zinc/78/16/30/493781630.db2.gz AJERVQIFLUECAT-QGZVFWFLSA-N 1 0 359.539 3.369 10 0 FGAERO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000076318568 493865539 /nfs/dbraw/zinc/86/55/39/493865539.db2.gz FFCWNVGAUYRFIC-YVEFUNNKSA-N 1 0 356.869 3.450 10 0 FGAERO CNC(=O)[C@H](NC(=O)C[NH2+][C@@H](C)c1ccc(C(C)C)cc1)c1ccccc1 ZINC000051591039 493977506 /nfs/dbraw/zinc/97/75/06/493977506.db2.gz FVDNEHYYEMMIES-HRAATJIYSA-N 1 0 367.493 3.064 10 0 FGAERO COc1ccc(-[n+]2cc(-c3ccc(OC)c(OC)c3)n3c2CCC3)cc1 ZINC000032611743 494000060 /nfs/dbraw/zinc/00/00/60/494000060.db2.gz FFLFZCZAHIXRHJ-UHFFFAOYSA-N 1 0 351.426 3.404 10 0 FGAERO C[C@@H]([NH2+][C@H](C)c1ccc2c(c1)OCCO2)C(=O)Nc1cccnc1Cl ZINC000052658466 494050927 /nfs/dbraw/zinc/05/09/27/494050927.db2.gz UNGPMJXOWKJUEP-VXGBXAGGSA-N 1 0 361.829 3.184 10 0 FGAERO C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCO2)C(=O)Nc1cccnc1Cl ZINC000052658463 494051246 /nfs/dbraw/zinc/05/12/46/494051246.db2.gz UNGPMJXOWKJUEP-RYUDHWBXSA-N 1 0 361.829 3.184 10 0 FGAERO CC[NH+](CC)CCNC(=O)c1ccc2cnn(Cc3ccc(F)cc3)c2c1 ZINC000035560044 494080100 /nfs/dbraw/zinc/08/01/00/494080100.db2.gz HYAOWAXVGIQENI-UHFFFAOYSA-N 1 0 368.456 3.295 10 0 FGAERO O[C@H](COCc1ccccc1)C[N@@H+](Cc1ccccc1)CC1CCOCC1 ZINC000084963649 494108445 /nfs/dbraw/zinc/10/84/45/494108445.db2.gz FFJAONYHJBAHID-QHCPKHFHSA-N 1 0 369.505 3.493 10 0 FGAERO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2ccccc2)cc1)C(=O)NC(=O)NC1CC1 ZINC000053780148 494165952 /nfs/dbraw/zinc/16/59/52/494165952.db2.gz NRQLVHZNWVQVAJ-LSDHHAIUSA-N 1 0 351.450 3.381 10 0 FGAERO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)NC[C@H]1CCCC[C@H]1O ZINC000077757064 494168809 /nfs/dbraw/zinc/16/88/09/494168809.db2.gz RDHHVGNXQDGMCO-WOJBJXKFSA-N 1 0 359.514 3.023 10 0 FGAERO O=C(NCc1ccccc1)c1cccnc1N1CC[NH2+][C@H](c2ccccc2)C1 ZINC000065255744 494183430 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C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCO2)C(=O)N1CCc2sccc2C1 ZINC000073717110 494416890 /nfs/dbraw/zinc/41/68/90/494416890.db2.gz RDFMRQKLDUGIMR-UONOGXRCSA-N 1 0 372.490 3.143 10 0 FGAERO COc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N2CCc3sccc3C2)cc1OC ZINC000079306540 494434197 /nfs/dbraw/zinc/43/41/97/494434197.db2.gz SCITYRXNNDGTTH-KBPBESRZSA-N 1 0 374.506 3.389 10 0 FGAERO COc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NCc2ccc(F)cc2)cc1OC ZINC000079306498 494434424 /nfs/dbraw/zinc/43/44/24/494434424.db2.gz LBZCYCZMSGJKOE-KBPBESRZSA-N 1 0 360.429 3.198 10 0 FGAERO CC(C)(CO)CCCNC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000073903050 494445300 /nfs/dbraw/zinc/44/53/00/494445300.db2.gz NYBNVNFMXRHJDY-LJQANCHMSA-N 1 0 361.530 3.139 10 0 FGAERO COc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(Cl)cn2)cc1OC ZINC000056182020 494467096 /nfs/dbraw/zinc/46/70/96/494467096.db2.gz LDLVOOSBGYKNBN-VXGBXAGGSA-N 1 0 363.845 3.430 10 0 FGAERO COCCN1CCN(C(=O)Nc2ccccc2CCC(F)(F)F)C[C@@H]1C ZINC000125973372 494592606 /nfs/dbraw/zinc/59/26/06/494592606.db2.gz ZKGKMUHNDPPEIV-AWEZNQCLSA-N 1 0 373.419 3.366 10 0 FGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(OCc2cccnc2)c1 ZINC000092427887 494624600 /nfs/dbraw/zinc/62/46/00/494624600.db2.gz WGNSPEHEYSPABR-QFBILLFUSA-N 1 0 366.465 3.361 10 0 FGAERO O=C(NCc1cccc(O)c1)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000067735429 494627561 /nfs/dbraw/zinc/62/75/61/494627561.db2.gz RVGSHEGAKWWXSE-IBGZPJMESA-N 1 0 353.466 3.246 10 0 FGAERO C[N@H+](Cc1ccc2c(c1)CC(C)(C)O2)C1CCN(CCn2cccn2)CC1 ZINC000121207634 494645890 /nfs/dbraw/zinc/64/58/90/494645890.db2.gz UHOQLENFCFZKPL-UHFFFAOYSA-N 1 0 368.525 3.193 10 0 FGAERO COC(=O)c1ccccc1N(C)C(=O)C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000121298971 494690348 /nfs/dbraw/zinc/69/03/48/494690348.db2.gz MMZANHWGDHWOFQ-ZDUSSCGKSA-N 1 0 360.841 3.440 10 0 FGAERO C[NH+](C)CCN1CCC(NC(=O)N[C@@H]2c3ccccc3CCC2(C)C)CC1 ZINC000121331203 494706050 /nfs/dbraw/zinc/70/60/50/494706050.db2.gz MLGSHDOACDRBPW-HXUWFJFHSA-N 1 0 372.557 3.025 10 0 FGAERO C[NH+](C)C[C@H](NC(=O)Nc1ccn(Cc2ccccc2)n1)c1ccccc1 ZINC000126350181 494720089 /nfs/dbraw/zinc/72/00/89/494720089.db2.gz QHMXEAUCALUQQD-IBGZPJMESA-N 1 0 363.465 3.356 10 0 FGAERO C[N@@H+](Cc1ccc2c(c1)OCO2)C[C@H](O)COCc1ccc(Cl)cc1 ZINC000025368739 494730064 /nfs/dbraw/zinc/73/00/64/494730064.db2.gz BLXDVVMIAXCWDM-KRWDZBQOSA-N 1 0 363.841 3.078 10 0 FGAERO COc1cccc(C[NH+]2CCC(c3ccnn3C)CC2)c1OC(F)F ZINC000092810442 494756127 /nfs/dbraw/zinc/75/61/27/494756127.db2.gz KCBFULBSCSNCPZ-UHFFFAOYSA-N 1 0 351.397 3.410 10 0 FGAERO COC(=O)c1sc2ccccc2c1C[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116315557 494759826 /nfs/dbraw/zinc/75/98/26/494759826.db2.gz OWHZUMNHFRFJDN-ZDUSSCGKSA-N 1 0 355.463 3.411 10 0 FGAERO COCCOc1ccc(C[N@@H+]2CC[C@H](CNc3cccc(C)n3)C2)cc1 ZINC000092813364 494761339 /nfs/dbraw/zinc/76/13/39/494761339.db2.gz UFFXXGFEGCXBJF-LJQANCHMSA-N 1 0 355.482 3.349 10 0 FGAERO CCCOc1ccc(Cl)cc1NC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000047760101 494771951 /nfs/dbraw/zinc/77/19/51/494771951.db2.gz QTNRAAVFTGAWDI-OAHLLOKOSA-N 1 0 369.893 3.097 10 0 FGAERO C[NH+](C)C[C@@H](NC(=O)c1ccnc(OCC(F)(F)F)c1)c1ccccc1 ZINC000131922731 494775021 /nfs/dbraw/zinc/77/50/21/494775021.db2.gz LNULZSUQUZSKFP-OAHLLOKOSA-N 1 0 367.371 3.055 10 0 FGAERO CC(C)n1cnnc1-c1ccccc1NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000092928153 494789290 /nfs/dbraw/zinc/78/92/90/494789290.db2.gz TYKJBPXUYDNSMM-JKSUJKDBSA-N 1 0 368.485 3.226 10 0 FGAERO CCn1cc(CN2CCC[N@H+](Cc3ccc4c(c3)CC(C)(C)O4)CC2)cn1 ZINC000121622758 494823217 /nfs/dbraw/zinc/82/32/17/494823217.db2.gz YATSUYNWDCZREW-UHFFFAOYSA-N 1 0 368.525 3.324 10 0 FGAERO Cn1cc([C@H]2CCCN2C(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)cn1 ZINC000109149667 494838163 /nfs/dbraw/zinc/83/81/63/494838163.db2.gz SJSHAOVQZWDEEO-VQTJNVASSA-N 1 0 373.545 3.311 10 0 FGAERO Cc1c2ccc3ccccc3c2oc1C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116784338 494853027 /nfs/dbraw/zinc/85/30/27/494853027.db2.gz AHCNBYSYSMANIF-MRXNPFEDSA-N 1 0 352.434 3.297 10 0 FGAERO Cc1ccc(N2CCC[N@H+](Cc3c[nH]nc3-c3ccccc3F)CC2)nn1 ZINC000093271878 494854171 /nfs/dbraw/zinc/85/41/71/494854171.db2.gz OKRFOIYUAZKKNX-UHFFFAOYSA-N 1 0 366.444 3.027 10 0 FGAERO CN(C(=O)c1ccc2ccccc2c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000109292444 494855410 /nfs/dbraw/zinc/85/54/10/494855410.db2.gz UHTRCCAJWVVMSU-UHFFFAOYSA-N 1 0 362.477 3.273 10 0 FGAERO CCn1cc(CN2CCC[N@H+](Cc3ccc(SC)c(OC)c3)CC2)cn1 ZINC000109329159 494861151 /nfs/dbraw/zinc/86/11/51/494861151.db2.gz IGHFGXDXMBZTSO-UHFFFAOYSA-N 1 0 374.554 3.341 10 0 FGAERO CC(C)c1nnc(SCC(=O)Oc2ccccc2)n1-c1cc[nH+]cc1 ZINC000027643385 494878990 /nfs/dbraw/zinc/87/89/90/494878990.db2.gz YFAQGEIQXGCLFO-UHFFFAOYSA-N 1 0 354.435 3.483 10 0 FGAERO CCCC[C@H](CC)CC(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1 ZINC000117260869 494905846 /nfs/dbraw/zinc/90/58/46/494905846.db2.gz PQBJOLHFVWOFJM-SFHVURJKSA-N 1 0 360.546 3.398 10 0 FGAERO Cc1nc(C)n(C[C@H]2CCC[N@H+](Cc3cnn(-c4ccc(F)cc4)c3)C2)n1 ZINC000122032008 494912767 /nfs/dbraw/zinc/91/27/67/494912767.db2.gz 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374.525 3.361 10 0 FGAERO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@H](CN(C)C)c1ccccc1 ZINC000163795275 496558689 /nfs/dbraw/zinc/55/86/89/496558689.db2.gz XTPCPNYCYPSANX-RHSMWYFYSA-N 1 0 360.889 3.345 10 0 FGAERO C[C@@H]([NH2+][C@@H](CN(C)C)c1ccccc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000163826978 496562752 /nfs/dbraw/zinc/56/27/52/496562752.db2.gz KYKFQBNBJXXBHH-BEFAXECRSA-N 1 0 361.511 3.012 10 0 FGAERO Cc1ccc2c(c1)[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccccn1)[C@H](C)C2 ZINC000181941335 496607236 /nfs/dbraw/zinc/60/72/36/496607236.db2.gz YSYAWENGCIYWGP-DYESRHJHSA-N 1 0 366.509 3.397 10 0 FGAERO C[C@@H]1C[N@H+](CCCc2ccccc2Br)C[C@@H]1N1CCOCC1 ZINC000181975214 496618935 /nfs/dbraw/zinc/61/89/35/496618935.db2.gz QNDJGLFHEGWRJL-QAPCUYQASA-N 1 0 367.331 3.034 10 0 FGAERO C[C@@H](NC(=O)N1CCO[C@@H](C[NH+](C)C)C1)c1cc(Cl)ccc1Cl ZINC000187942263 496625972 /nfs/dbraw/zinc/62/59/72/496625972.db2.gz KMGINVKEMHNAMR-YPMHNXCESA-N 1 0 360.285 3.026 10 0 FGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cc(N2CCOC2=O)ccc1C 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FGAERO CCCN(Cc1nnc(C)n1CC)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000102844231 495166461 /nfs/dbraw/zinc/16/64/61/495166461.db2.gz YJHZUSXLJAGWJM-HXUWFJFHSA-N 1 0 355.530 3.483 10 0 FGAERO Cc1cccc(C(=O)N2CCCC2)c1NC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000119479943 495175034 /nfs/dbraw/zinc/17/50/34/495175034.db2.gz KARKJQLDUMJPGQ-WMZOPIPTSA-N 1 0 372.513 3.081 10 0 FGAERO Cc1nn(-c2ccccc2)c(C)c1C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000119610122 495201574 /nfs/dbraw/zinc/20/15/74/495201574.db2.gz SKPUANAVEVPGLP-LJQANCHMSA-N 1 0 354.498 3.339 10 0 FGAERO Cc1cnn(CC[NH2+][C@H](C)C(=O)N[C@H](C)c2cccc3ccccc32)c1 ZINC000112552294 495205009 /nfs/dbraw/zinc/20/50/09/495205009.db2.gz JGRANZZAEJBYML-IAGOWNOFSA-N 1 0 350.466 3.200 10 0 FGAERO Cc1cc([C@@H]2CN(C(=O)[C@H](Cc3ccccc3)[NH+](C)C)CCO2)ccc1F ZINC000129200065 495209794 /nfs/dbraw/zinc/20/97/94/495209794.db2.gz AJYZDGCIGGRMAN-SFTDATJTSA-N 1 0 370.468 3.207 10 0 FGAERO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2ccc(-n3nc(C)cc3C)cc2)C1 ZINC000103476129 495238888 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CC(C)(C)c1ccc(OC[C@H](O)C[NH+]2CCC(Cn3cccn3)CC2)cc1 ZINC000106182420 495426430 /nfs/dbraw/zinc/42/64/30/495426430.db2.gz VLEWRQDKCQDYHD-HXUWFJFHSA-N 1 0 371.525 3.333 10 0 FGAERO CCc1nccn1[C@H]1CCC[N@H+](CC(=O)NCCc2ccc(Cl)cc2)C1 ZINC000106216284 495434497 /nfs/dbraw/zinc/43/44/97/495434497.db2.gz SQFFWGATZFOFQJ-SFHVURJKSA-N 1 0 374.916 3.095 10 0 FGAERO Cc1cnn([C@@H]2CCC[N@H+](CC(=O)N(Cc3ccc(C)cc3)C3CC3)C2)c1 ZINC000106220484 495435759 /nfs/dbraw/zinc/43/57/59/495435759.db2.gz JIERAMXEGWSQFW-OAQYLSRUSA-N 1 0 366.509 3.328 10 0 FGAERO Cc1cnn([C@H]2CCC[N@H+](C[C@H](O)COc3c(C)ccc(C)c3C)C2)c1 ZINC000106219988 495437022 /nfs/dbraw/zinc/43/70/22/495437022.db2.gz IBDNAAHCLTVNIU-PMACEKPBSA-N 1 0 357.498 3.194 10 0 FGAERO Cc1nccn1CCCC[NH+]1CCN(c2nc3cc(C)ccc3o2)CC1 ZINC000120746806 495448775 /nfs/dbraw/zinc/44/87/75/495448775.db2.gz LWKADMSDOURENX-UHFFFAOYSA-N 1 0 353.470 3.244 10 0 FGAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)Nc1ccc(OC[C@H]2CCCO2)cc1 ZINC000106459187 495458040 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FGAERO C[NH+](C)C[C@H](NC(=O)Nc1cnn(-c2ccccc2F)c1)c1ccccc1 ZINC000152137070 496058505 /nfs/dbraw/zinc/05/85/05/496058505.db2.gz JHMCKAHHTJGCAA-SFHVURJKSA-N 1 0 367.428 3.436 10 0 FGAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)C[C@@H]2CCCc3ccccc32)CC1 ZINC000177441518 496062152 /nfs/dbraw/zinc/06/21/52/496062152.db2.gz ZVLAWKJEQZQBCW-PXNSSMCTSA-N 1 0 358.526 3.048 10 0 FGAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)c2cccc(OC3CCCC3)c2)CC1 ZINC000177445250 496063347 /nfs/dbraw/zinc/06/33/47/496063347.db2.gz TZIUWKKATADOTD-KRWDZBQOSA-N 1 0 374.525 3.173 10 0 FGAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)C(C)(C)c2cccc(Cl)c2)CC1 ZINC000177443772 496063618 /nfs/dbraw/zinc/06/36/18/496063618.db2.gz TWWBEIKPCAQFGH-HNNXBMFYSA-N 1 0 366.933 3.169 10 0 FGAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000177444556 496063629 /nfs/dbraw/zinc/06/36/29/496063629.db2.gz KVFZCBIJMBOSAI-ZDUSSCGKSA-N 1 0 373.324 3.087 10 0 FGAERO Cc1ccc(C(=O)N(C)CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)o1 ZINC000177461012 496070308 /nfs/dbraw/zinc/07/03/08/496070308.db2.gz YRJSETCLQDMQLQ-LJQANCHMSA-N 1 0 356.466 3.106 10 0 FGAERO CN(CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)C(=O)CCc1ccco1 ZINC000177467762 496072380 /nfs/dbraw/zinc/07/23/80/496072380.db2.gz HRUXIZMFNKZANO-OAQYLSRUSA-N 1 0 370.493 3.116 10 0 FGAERO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(N3CCCC3=O)cc1)CC2 ZINC000180638002 496080207 /nfs/dbraw/zinc/08/02/07/496080207.db2.gz VZGWQDYOMZYVHM-WBVHZDCISA-N 1 0 367.497 3.194 10 0 FGAERO O=C(N[C@@H]1CCCc2cc(OC(F)F)ccc21)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171905417 496085591 /nfs/dbraw/zinc/08/55/91/496085591.db2.gz UUFVUFDJVGPEAX-RHSMWYFYSA-N 1 0 365.424 3.155 10 0 FGAERO COC[C@@H](Cc1ccccc1)[NH2+]C[C@H](c1ccc(C)s1)N1CCOCC1 ZINC000180658132 496091579 /nfs/dbraw/zinc/09/15/79/496091579.db2.gz ZRDCVXMHVDJAKK-WOJBJXKFSA-N 1 0 374.550 3.277 10 0 FGAERO C[C@@H]1C[C@@H](C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)CC(C)(C)C1 ZINC000183729055 496095196 /nfs/dbraw/zinc/09/51/96/496095196.db2.gz GEDHBQYIUAGNAN-VQIMIIECSA-N 1 0 373.541 3.057 10 0 FGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(NC(=O)C(C)C)c1 ZINC000177520516 496096135 /nfs/dbraw/zinc/09/61/35/496096135.db2.gz MLXWVOYZMZQCGL-QZTJIDSGSA-N 1 0 358.486 3.372 10 0 FGAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N(Cc1ccco1)C[C@H]1CCCO1 ZINC000152399763 496139076 /nfs/dbraw/zinc/13/90/76/496139076.db2.gz LAKXWPWAFBIURB-IEBWSBKVSA-N 1 0 363.502 3.091 10 0 FGAERO O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)N[C@H](CO)c1ccccc1 ZINC000180832644 496163218 /nfs/dbraw/zinc/16/32/18/496163218.db2.gz PXPFTWDFSQPWHV-NHCUHLMSSA-N 1 0 367.493 3.074 10 0 FGAERO CCOCC[N@@H+]1CCN(C(=O)CCc2c[nH]c3ccc(C)cc23)C[C@H]1CC ZINC000174919359 496164834 /nfs/dbraw/zinc/16/48/34/496164834.db2.gz JWVJCRYXSJSUBU-LJQANCHMSA-N 1 0 371.525 3.368 10 0 FGAERO CC[N@@H+]1CCC[C@H]1CN(C)CCC(=O)Nc1ccccc1Br ZINC000177705724 496166153 /nfs/dbraw/zinc/16/61/53/496166153.db2.gz AKYZRTPVVHVYEC-AWEZNQCLSA-N 1 0 368.319 3.194 10 0 FGAERO COc1ccc([C@@H](C)[NH2+]C[C@H](O)COc2cccc3[nH]ccc32)cc1OC ZINC000180890665 496188654 /nfs/dbraw/zinc/18/86/54/496188654.db2.gz XMJXGQLHTNEEQS-ZBFHGGJFSA-N 1 0 370.449 3.276 10 0 FGAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2cccc(C[S@@](=O)C(C)(C)C)c2)C1 ZINC000172157819 496189019 /nfs/dbraw/zinc/18/90/19/496189019.db2.gz JBHBIKDNZIENNX-SSOJOUAXSA-N 1 0 365.543 3.340 10 0 FGAERO CC1(CO)CC[NH+](C[C@@H](O)COC(c2ccccc2)c2ccccc2)CC1 ZINC000186912736 496207402 /nfs/dbraw/zinc/20/74/02/496207402.db2.gz XDPVLHOHQROGTC-OAQYLSRUSA-N 1 0 369.505 3.248 10 0 FGAERO O=C(Nc1ccc(Oc2ccc(Cl)nn2)cc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000172233780 496220505 /nfs/dbraw/zinc/22/05/05/496220505.db2.gz FLTUWSBPHOOOMO-CQSZACIVSA-N 1 0 373.844 3.234 10 0 FGAERO O[C@H](COc1ccccc1)CN1CC[NH+](CCCCc2ccccc2)CC1 ZINC000186988403 496241710 /nfs/dbraw/zinc/24/17/10/496241710.db2.gz ZUHVGOHHSCNNTF-QFIPXVFZSA-N 1 0 368.521 3.067 10 0 FGAERO Cc1ccc(NC(=O)C2(CNC(=O)[C@H]3CC[C@@H]([NH3+])C3)CCCC2)cc1C ZINC000161815779 496243115 /nfs/dbraw/zinc/24/31/15/496243115.db2.gz WTELCWHEVDUYNH-DLBZAZTESA-N 1 0 357.498 3.046 10 0 FGAERO COc1ccc(CC[N@@H+](Cc2nnc(C3CC3)n2C)CC(C)C)cc1OC ZINC000172308335 496247973 /nfs/dbraw/zinc/24/79/73/496247973.db2.gz BWCMSYQQVKIAGU-UHFFFAOYSA-N 1 0 372.513 3.410 10 0 FGAERO Cn1cnc(-c2cccc(NC3CC[NH+](CCC(F)(F)F)CC3)c2)n1 ZINC000181048401 496252366 /nfs/dbraw/zinc/25/23/66/496252366.db2.gz SDYDFUMWEUPUNN-UHFFFAOYSA-N 1 0 353.392 3.311 10 0 FGAERO CC(C)c1nn(C)c(N2CCOCC2)c1CNc1cccc(C[NH+](C)C)c1 ZINC000156521476 496267915 /nfs/dbraw/zinc/26/79/15/496267915.db2.gz GRDKOMJBTOSQAV-UHFFFAOYSA-N 1 0 371.529 3.054 10 0 FGAERO CCC[C@H](C(=O)Nc1ccc(OCc2noc(C3CC3)n2)cc1)[NH+](C)C ZINC000162086905 496293621 /nfs/dbraw/zinc/29/36/21/496293621.db2.gz KIPKNQGCTKDBSX-MRXNPFEDSA-N 1 0 358.442 3.195 10 0 FGAERO COc1ccc([C@@H](C)[NH2+]Cc2ccc3c(c2)CCC(=O)N3C)cc1OC ZINC000187139619 496310130 /nfs/dbraw/zinc/31/01/30/496310130.db2.gz ZBJDBGBCJQXTKI-CQSZACIVSA-N 1 0 354.450 3.464 10 0 FGAERO C[C@@H](COCc1ccccc1)[NH2+][C@@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000178064561 496312358 /nfs/dbraw/zinc/31/23/58/496312358.db2.gz CKCCHZMAXJJDAC-HOTGVXAUSA-N 1 0 362.495 3.314 10 0 FGAERO CC(C)CCNC(=O)N(C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000175288107 496323962 /nfs/dbraw/zinc/32/39/62/496323962.db2.gz MRIFJQMMUWIGNG-HXUWFJFHSA-N 1 0 361.530 3.120 10 0 FGAERO FC(F)(F)Oc1cccc(CC[N@@H+]2CCC[C@H](Cn3cncn3)C2)c1 ZINC000156752512 496326865 /nfs/dbraw/zinc/32/68/65/496326865.db2.gz JZFMCKRNTPZQQJ-HNNXBMFYSA-N 1 0 354.376 3.131 10 0 FGAERO COc1ccc(C[C@H](C)CN(C)C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1 ZINC000153027977 496330910 /nfs/dbraw/zinc/33/09/10/496330910.db2.gz YFDYQVOMJNCWDH-QKLQHJQFSA-N 1 0 361.530 3.244 10 0 FGAERO Cc1ncsc1CC[N@@H+](C)C[C@H](c1cccs1)N1CCOCC1 ZINC000172535830 496332501 /nfs/dbraw/zinc/33/25/01/496332501.db2.gz BBSAGIGAYAETDX-OAHLLOKOSA-N 1 0 351.541 3.061 10 0 FGAERO Cc1nn(C)c(C)c1CN1CC[NH+](CCCCCOc2ccccc2)CC1 ZINC000187226942 496349130 /nfs/dbraw/zinc/34/91/30/496349130.db2.gz GCSTVVXQMUKKKN-UHFFFAOYSA-N 1 0 370.541 3.404 10 0 FGAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1ccc(OC)c(OC)c1Br ZINC000175352439 496352504 /nfs/dbraw/zinc/35/25/04/496352504.db2.gz FCLYVCQARUCOOB-CQSZACIVSA-N 1 0 371.319 3.382 10 0 FGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H](c1ccccc1)C(F)(F)F ZINC000187232996 496352617 /nfs/dbraw/zinc/35/26/17/496352617.db2.gz XWKFOPLMYDCPNH-CVEARBPZSA-N 1 0 357.420 3.458 10 0 FGAERO CC(C)C[C@@H](NC(=O)N1CCO[C@H](C[NH+](C)C)C1)c1ccc(Cl)cc1 ZINC000175356632 496354568 /nfs/dbraw/zinc/35/45/68/496354568.db2.gz NRTGIXSJEURPHD-QZTJIDSGSA-N 1 0 367.921 3.399 10 0 FGAERO Cc1cnn([C@H]2CCC[N@H+](Cc3cnn(Cc4ccc(F)cc4)c3)C2)c1 ZINC000187239228 496356100 /nfs/dbraw/zinc/35/61/00/496356100.db2.gz TYESFQFMSUQYAB-FQEVSTJZSA-N 1 0 353.445 3.413 10 0 FGAERO C[N@H+](C[C@H](O)COC(c1ccccc1)c1ccccc1)C[C@H]1CCC[C@@H]1O ZINC000162497798 496362286 /nfs/dbraw/zinc/36/22/86/496362286.db2.gz ZWJUGCHUCTWNDI-FSSWDIPSSA-N 1 0 369.505 3.246 10 0 FGAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccn2)C1 ZINC000184391999 496364267 /nfs/dbraw/zinc/36/42/67/496364267.db2.gz SLQXJYLUMKTWJZ-OAHLLOKOSA-N 1 0 370.501 3.171 10 0 FGAERO [NH3+][C@H]1CCC[C@H](C(=O)Nc2cccc(CS(=O)(=O)c3ccccc3)c2)C1 ZINC000156920886 496364585 /nfs/dbraw/zinc/36/45/85/496364585.db2.gz NEXSTGFOYIHTCL-IRXDYDNUSA-N 1 0 372.490 3.117 10 0 FGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1nc(Cc2ccccc2)cs1 ZINC000184423912 496378182 /nfs/dbraw/zinc/37/81/82/496378182.db2.gz OWYKDYNMQXFNLV-RHSMWYFYSA-N 1 0 356.495 3.434 10 0 FGAERO C[NH+](C)C[C@H](NC(=O)c1ccn(-c2c(F)cccc2F)n1)c1ccccc1 ZINC000175409920 496379686 /nfs/dbraw/zinc/37/96/86/496379686.db2.gz INDBMXVHXQIUGX-SFHVURJKSA-N 1 0 370.403 3.183 10 0 FGAERO Cc1nccn1C[C@H]1CCC[N@H+]1CC(=O)N[C@@H](c1ccc(F)cc1)C(C)C ZINC000178293191 496401082 /nfs/dbraw/zinc/40/10/82/496401082.db2.gz MIOSKSIMAPGFSD-TZIWHRDSSA-N 1 0 372.488 3.309 10 0 FGAERO Cc1nccn1C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000178300740 496404389 /nfs/dbraw/zinc/40/43/89/496404389.db2.gz RKPIMNDZFLBWPQ-DOXZYTNZSA-N 1 0 358.461 3.061 10 0 FGAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)c2ccc(Oc3ccccc3)o2)CC1 ZINC000178320445 496412702 /nfs/dbraw/zinc/41/27/02/496412702.db2.gz CZGVSRQALQADDS-MRXNPFEDSA-N 1 0 372.465 3.237 10 0 FGAERO Cc1nccn1C[C@H]1CCC[N@@H+]1C[C@H](O)COc1c(C)ccc(C)c1C ZINC000178328175 496415349 /nfs/dbraw/zinc/41/53/49/496415349.db2.gz KXRZBWUBECZWRO-UXHICEINSA-N 1 0 357.498 3.021 10 0 FGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(C)n(-c2ccc(F)cc2)n1 ZINC000181494140 496419406 /nfs/dbraw/zinc/41/94/06/496419406.db2.gz MHLGJVFAUDGESE-FUHWJXTLSA-N 1 0 356.445 3.019 10 0 FGAERO COCCOc1ccc([C@H](C)[NH2+][C@H]2Cc3ccccc3[C@@H]2O)cc1OC ZINC000178357517 496426240 /nfs/dbraw/zinc/42/62/40/496426240.db2.gz DQFRPLFWBNOKGO-XQAUZQBESA-N 1 0 357.450 3.029 10 0 FGAERO COC[C@H](C)C(=O)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000175532134 496430719 /nfs/dbraw/zinc/43/07/19/496430719.db2.gz OANGPGSABAKLFU-DOTOQJQBSA-N 1 0 372.431 3.182 10 0 FGAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)N1CC[C@@H](COCc2ccccc2)C1 ZINC000172804220 496439091 /nfs/dbraw/zinc/43/90/91/496439091.db2.gz UTKWNBPRAOXXEP-FGZHOGPDSA-N 1 0 366.505 3.225 10 0 FGAERO COC(=O)[C@H](c1ccccc1C)N1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000163011124 496448862 /nfs/dbraw/zinc/44/88/62/496448862.db2.gz PUFJVDHHPGHKMK-XLIONFOSSA-N 1 0 353.466 3.347 10 0 FGAERO Cc1cccc(NC(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)c1Cl ZINC000153444021 496456986 /nfs/dbraw/zinc/45/69/86/496456986.db2.gz OAEYKDKMYLTZKX-CQSZACIVSA-N 1 0 353.894 3.205 10 0 FGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000184615175 496464629 /nfs/dbraw/zinc/46/46/29/496464629.db2.gz XSUFEMWEXOWFHQ-GUYCJALGSA-N 1 0 371.884 3.292 10 0 FGAERO CC(C)[N@H+]1C[C@H](NC(=O)NCc2cccc(OCC(F)(F)F)c2)[C@@H](C)C1 ZINC000157402739 496470696 /nfs/dbraw/zinc/47/06/96/496470696.db2.gz RACSEQVSBSYBKF-BBRMVZONSA-N 1 0 373.419 3.156 10 0 FGAERO CCC[C@@H](N[C@H](C)c1ccc(NS(C)(=O)=O)cc1)C(=O)OC(C)(C)C ZINC000157466106 496482284 /nfs/dbraw/zinc/48/22/84/496482284.db2.gz VGLDCSONNBYSBE-CZUORRHYSA-N 1 0 370.515 3.219 10 0 FGAERO CC(C)N(CC[NH+](C)C)C(=O)N[C@H](C)c1cccc(Br)c1 ZINC000157509191 496490908 /nfs/dbraw/zinc/49/09/08/496490908.db2.gz CLCQURSHJKZJRB-CYBMUJFWSA-N 1 0 356.308 3.492 10 0 FGAERO C[C@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178663976 496532909 /nfs/dbraw/zinc/53/29/09/496532909.db2.gz QZASFPTXKPAUTH-CZUORRHYSA-N 1 0 374.485 3.056 10 0 FGAERO C[C@@H]([NH3+])CCNC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC000178684620 496539174 /nfs/dbraw/zinc/53/91/74/496539174.db2.gz NKLKXDZVJDRFMI-LLVKDONJSA-N 1 0 353.344 3.360 10 0 FGAERO CC(C)[C@@H]1C[C@@H]1C(=O)N(C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000187752458 496557389 /nfs/dbraw/zinc/55/73/89/496557389.db2.gz HDDPYAPXUTWNIY-ACRUOGEOSA-N 1 0 358.526 3.183 10 0 FGAERO CCOC(=O)c1c(C)c(C)sc1NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000178823395 496583893 /nfs/dbraw/zinc/58/38/93/496583893.db2.gz IHMKHAORWLSRIR-CQSZACIVSA-N 1 0 365.499 3.244 10 0 FGAERO 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FGAERO O=C1c2ccccc2C(=O)N1C1CCC([NH2+][C@H]2COc3ccccc32)CC1 ZINC000188175752 496709334 /nfs/dbraw/zinc/70/93/34/496709334.db2.gz YUCALRXKKIPHOK-ZOJXTTQQSA-N 1 0 362.429 3.317 10 0 FGAERO CC[C@@H]1CN(C(=O)N[C@@H](c2ccco2)c2ccccc2)CC[N@@H+]1CCOC ZINC000247017800 496752301 /nfs/dbraw/zinc/75/23/01/496752301.db2.gz HMBNTIIIQNYTMU-UYAOXDASSA-N 1 0 371.481 3.121 10 0 FGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(Br)ccc1F ZINC000247029291 496758153 /nfs/dbraw/zinc/75/81/53/496758153.db2.gz UATBXAPWYRLDSR-STQMWFEESA-N 1 0 355.251 3.287 10 0 FGAERO CCN(C(=O)C[N@@H+]1CCC[C@H]1Cn1ccnc1C)[C@H](C)c1ccc(F)cc1 ZINC000247042274 496759867 /nfs/dbraw/zinc/75/98/67/496759867.db2.gz NAOKOVPTBMZIHR-UZLBHIALSA-N 1 0 372.488 3.405 10 0 FGAERO Cc1cc2ncc([C@@H](C)[NH2+]C[C@H]3CCN(C(=O)OC(C)(C)C)C3)c(C)n2n1 ZINC000273303073 496768514 /nfs/dbraw/zinc/76/85/14/496768514.db2.gz VCCLEDWDYJLENY-GDBMZVCRSA-N 1 0 373.501 3.254 10 0 FGAERO COc1ccc2ccccc2c1CNC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000247094894 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ZINC000245786163 497539365 /nfs/dbraw/zinc/53/93/65/497539365.db2.gz VGHLIXXADXIQNF-GOEBONIOSA-N 1 0 370.921 3.024 10 0 FGAERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)C2(Cc3ccccc3)CC2)C1 ZINC000190605857 497541910 /nfs/dbraw/zinc/54/19/10/497541910.db2.gz FAKYSVWZPUMOLN-OAQYLSRUSA-N 1 0 363.505 3.385 10 0 FGAERO C[C@@H]([NH2+][C@@H](C)CN(C)Cc1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000245862447 497552504 /nfs/dbraw/zinc/55/25/04/497552504.db2.gz IAILLNPPEWMTJR-DLBZAZTESA-N 1 0 360.523 3.261 10 0 FGAERO CC(C)Cc1nc(C(=O)N2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)cs1 ZINC000190630753 497552925 /nfs/dbraw/zinc/55/29/25/497552925.db2.gz GZLINKGOBQQQNX-QGZVFWFLSA-N 1 0 372.538 3.331 10 0 FGAERO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000245872433 497555681 /nfs/dbraw/zinc/55/56/81/497555681.db2.gz ABVIDFLARAUEQH-APWZRJJASA-N 1 0 355.486 3.167 10 0 FGAERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCC(c2ccncc2)CC1 ZINC000190640180 497555868 /nfs/dbraw/zinc/55/58/68/497555868.db2.gz GCUBBZQPAYLQNZ-SFHVURJKSA-N 1 0 366.509 3.491 10 0 FGAERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)CCc2ccc(F)cc2)C1 ZINC000190648425 497558913 /nfs/dbraw/zinc/55/89/13/497558913.db2.gz DWRBKWXAUYXPSY-IBGZPJMESA-N 1 0 355.457 3.134 10 0 FGAERO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(C(=O)NCc2cccc(C)c2)C1 ZINC000190690473 497574569 /nfs/dbraw/zinc/57/45/69/497574569.db2.gz RKVXRXBQRBKCCW-GOSISDBHSA-N 1 0 372.538 3.423 10 0 FGAERO C[C@@H](Cc1cccs1)NC(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190693681 497575012 /nfs/dbraw/zinc/57/50/12/497575012.db2.gz XRDWNKFVRZMHKG-WMZOPIPTSA-N 1 0 372.538 3.238 10 0 FGAERO COC[C@H]([NH3+])C(=O)N(C)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000262606478 497582018 /nfs/dbraw/zinc/58/20/18/497582018.db2.gz YFGNORIONYVGDM-IRXDYDNUSA-N 1 0 350.821 3.001 10 0 FGAERO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(C(=O)NCC2(C)CCC2)C1 ZINC000190723360 497584813 /nfs/dbraw/zinc/58/48/13/497584813.db2.gz PSCXXCYIKAIQCU-HNNXBMFYSA-N 1 0 350.532 3.105 10 0 FGAERO CC[C@H](Cc1cccc(Br)c1)C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000262626084 497586731 /nfs/dbraw/zinc/58/67/31/497586731.db2.gz LOCRTZMLZWJCSD-IJEWVQPXSA-N 1 0 353.304 3.261 10 0 FGAERO C[C@@H]1Cc2ccccc2N1Cc1occc1C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000262644991 497589626 /nfs/dbraw/zinc/58/96/26/497589626.db2.gz UUJVIWVBZGEYED-UWWQBHOKSA-N 1 0 353.466 3.088 10 0 FGAERO CCn1cc([C@@H]2CN(CCC(=O)Nc3ccccc3SC)CCO2)cn1 ZINC000190753415 497594021 /nfs/dbraw/zinc/59/40/21/497594021.db2.gz DGTRGRLKBLOSIX-KRWDZBQOSA-N 1 0 374.510 3.027 10 0 FGAERO [NH3+][C@@H]1CCC[C@@H](C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)C1 ZINC000262672678 497596785 /nfs/dbraw/zinc/59/67/85/497596785.db2.gz SHVKBSGLFSUHQU-TZMCWYRMSA-N 1 0 372.856 3.443 10 0 FGAERO CC(C)CCOc1cccc(NC(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)c1 ZINC000246026736 497600236 /nfs/dbraw/zinc/60/02/36/497600236.db2.gz LHBSCJAJTPGSFE-SJORKVTESA-N 1 0 363.502 3.030 10 0 FGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccccc1C(=O)N(CC)CC ZINC000246069493 497611173 /nfs/dbraw/zinc/61/11/73/497611173.db2.gz SMNTVTWQQQNFHH-SJORKVTESA-N 1 0 372.513 3.259 10 0 FGAERO Cc1cccc(NC[C@@H]2CC[N@H+](C[C@@H](O)COc3c(C)cccc3C)C2)n1 ZINC000246073021 497612320 /nfs/dbraw/zinc/61/23/20/497612320.db2.gz CBPOZMDQHDXNNZ-VQTJNVASSA-N 1 0 369.509 3.181 10 0 FGAERO CC(C)c1ccc(C[C@@H](C)NC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)cc1 ZINC000262789847 497621517 /nfs/dbraw/zinc/62/15/17/497621517.db2.gz OCZSUWFAUFUMBS-VQIMIIECSA-N 1 0 354.498 3.292 10 0 FGAERO CCC[C@@H](CCc1ccccc1)NC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262790850 497621969 /nfs/dbraw/zinc/62/19/69/497621969.db2.gz OEQOQYCIZYFYHK-OALUTQOASA-N 1 0 354.498 3.339 10 0 FGAERO CC(C)c1csc([C@H]2CCC[N@H+](C[C@@H](O)COC3CCOCC3)C2)n1 ZINC000246142627 497636079 /nfs/dbraw/zinc/63/60/79/497636079.db2.gz BGHMTMFYBXKMEY-JKSUJKDBSA-N 1 0 368.543 3.002 10 0 FGAERO CCOC(=O)C1CCC(O)(C[N@@H+]2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)CC1 ZINC000190902996 497639086 /nfs/dbraw/zinc/63/90/86/497639086.db2.gz VMRBKLGXJLVRLI-TYJOOELLSA-N 1 0 363.473 3.488 10 0 FGAERO C[C@@H](CC(C)(C)c1ccccc1)NC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262879297 497645697 /nfs/dbraw/zinc/64/56/97/497645697.db2.gz YROHWOGNZKWQNH-FUHWJXTLSA-N 1 0 354.498 3.294 10 0 FGAERO O=C(CN1CC[N@@H+]2CCC[C@H]2C1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000246223943 497667761 /nfs/dbraw/zinc/66/77/61/497667761.db2.gz BOECRPORUQSUBF-LBPRGKRZSA-N 1 0 361.795 3.077 10 0 FGAERO CCOC(=O)C1CCC(O)(C[N@@H+]2CCc3[nH]c4ccccc4c3C2)CC1 ZINC000190984122 497672410 /nfs/dbraw/zinc/67/24/10/497672410.db2.gz UKQZMPQDTWKPLT-UHFFFAOYSA-N 1 0 356.466 3.010 10 0 FGAERO C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@H]3CCCN(c4cccnn4)C3)CC2)C1 ZINC000246275982 497681630 /nfs/dbraw/zinc/68/16/30/497681630.db2.gz BBOJRDDKQFAMNV-YZGWKJHDSA-N 1 0 357.546 3.078 10 0 FGAERO CCOC(=O)C1CCC(O)(C[NH2+][C@H](C)c2cccc(-n3ccnc3)c2)CC1 ZINC000191045809 497692911 /nfs/dbraw/zinc/69/29/11/497692911.db2.gz YXRKOMHIYXCQAH-ZGGTZUKQSA-N 1 0 371.481 3.007 10 0 FGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(Cl)cc1OC ZINC000246362994 497708616 /nfs/dbraw/zinc/70/86/16/497708616.db2.gz PWMVZASFCBGHRK-CVEARBPZSA-N 1 0 351.878 3.117 10 0 FGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H](C)c1ccccc1-n1cccn1 ZINC000246375100 497712274 /nfs/dbraw/zinc/71/22/74/497712274.db2.gz HBFGTHVPNZNTCR-IAGOWNOFSA-N 1 0 355.486 3.059 10 0 FGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2cccc(OC[C@H]3CCCO3)c2)C1 ZINC000246416120 497727572 /nfs/dbraw/zinc/72/75/72/497727572.db2.gz MHDXAUNIXYNOLD-LZQZEXGQSA-N 1 0 361.486 3.095 10 0 FGAERO CC(C)c1c(C(=O)N2CC[C@@H]([NH+](C)C)C2)cnn1-c1ccccc1Cl ZINC000191183810 497736349 /nfs/dbraw/zinc/73/63/49/497736349.db2.gz FSULHRIVVWCQAS-CQSZACIVSA-N 1 0 360.889 3.425 10 0 FGAERO C[C@@H](Cc1nc([C@H]2C[NH2+]CCN2C)no1)c1ccccc1C(F)(F)F ZINC000263306086 497753969 /nfs/dbraw/zinc/75/39/69/497753969.db2.gz XVEUBEOCZDKDOO-SMDDNHRTSA-N 1 0 354.376 3.011 10 0 FGAERO CCOC(=O)c1sc(NC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1C ZINC000246503169 497756274 /nfs/dbraw/zinc/75/62/74/497756274.db2.gz SIKNTCPQAVMVAF-CHWSQXEVSA-N 1 0 353.488 3.083 10 0 FGAERO COc1ccc(-c2nc3c(s2)[C@@H]([NH2+]C[C@H]2CN(C)CCO2)CCC3)cc1 ZINC000246541879 497767891 /nfs/dbraw/zinc/76/78/91/497767891.db2.gz WAFDSOOWKGZLCP-IRXDYDNUSA-N 1 0 373.522 3.116 10 0 FGAERO C[C@H]1C[N@H+](CCOc2cc(Cl)cc(Cl)c2)C[C@H]1N1CCOCC1 ZINC000246590916 497784031 /nfs/dbraw/zinc/78/40/31/497784031.db2.gz WSBVLUIVEBHKJG-SUMWQHHRSA-N 1 0 359.297 3.025 10 0 FGAERO Cc1nc(C(=O)NC[C@H](c2cccs2)N2CCO[C@@H](C)C2)c(C)s1 ZINC000246604781 497786660 /nfs/dbraw/zinc/78/66/60/497786660.db2.gz HKYXXZDNZYUUDE-SMDDNHRTSA-N 1 0 365.524 3.013 10 0 FGAERO O=C([O-])C[N@H+](CC1CC1)C1CC([NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)C1 ZINC000263471539 497787703 /nfs/dbraw/zinc/78/77/03/497787703.db2.gz DPAKNZSMVMKTRO-IKJYFWGWSA-N 1 0 356.510 3.315 10 0 FGAERO O=C([O-])C[N@H+](CC1CC1)C1CC([NH2+][C@H]2CCC[C@@H]2c2ccc(F)cc2)C1 ZINC000263481835 497789313 /nfs/dbraw/zinc/78/93/13/497789313.db2.gz GMLSICIULHXOKM-TUNPWDSISA-N 1 0 360.473 3.379 10 0 FGAERO CC(C)N(C(=O)CN1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1)C(C)C ZINC000246730746 497805341 /nfs/dbraw/zinc/80/53/41/497805341.db2.gz OQSSGRPMXRQBGE-SJORKVTESA-N 1 0 372.431 3.459 10 0 FGAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)CS[C@@H](C)c2nc3ccccc3[nH]2)C1 ZINC000246786766 497810845 /nfs/dbraw/zinc/81/08/45/497810845.db2.gz CPSJHJVUZUZHLZ-GRDNDAEWSA-N 1 0 360.527 3.202 10 0 FGAERO Cc1nc(Cc2ccccc2)sc1C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000246804947 497812450 /nfs/dbraw/zinc/81/24/50/497812450.db2.gz BWTTZAPPLGWALA-PBHICJAKSA-N 1 0 355.507 3.351 10 0 FGAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCCCCOCCc2ccccc2)C1 ZINC000246816368 497813331 /nfs/dbraw/zinc/81/33/31/497813331.db2.gz DJUCYVKIEPLXNU-AZUAARDMSA-N 1 0 361.530 3.054 10 0 FGAERO CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](NC(=O)c2ccccc2)[C@@H](C)CC)C1 ZINC000246871212 497818053 /nfs/dbraw/zinc/81/80/53/497818053.db2.gz HNMMKPZXNZQUKQ-BJLQDIEVSA-N 1 0 373.541 3.021 10 0 FGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCc1c(C)nn(CC(C)C)c1C ZINC000246915450 497820069 /nfs/dbraw/zinc/82/00/69/497820069.db2.gz IOKNVAYRLTVVMP-MOPGFXCFSA-N 1 0 360.546 3.174 10 0 FGAERO C[N@@H+]1CCC[C@@H](N2CCN(c3ccc4c(Cl)ccnc4c3F)CC2)C1 ZINC000301256163 498023125 /nfs/dbraw/zinc/02/31/25/498023125.db2.gz DJVDEEAIHIKGMT-CQSZACIVSA-N 1 0 362.880 3.244 10 0 FGAERO Cn1cc([C@H](CNc2ccnc3c(Br)cccc23)[NH+](C)C)cn1 ZINC000301298212 498045776 /nfs/dbraw/zinc/04/57/76/498045776.db2.gz SWVYIEXVMZVMAW-INIZCTEOSA-N 1 0 374.286 3.446 10 0 FGAERO OC[C@H]1CCC[N@@H+]1C[C@H]1CCCN1c1nc(-c2ccc(F)cc2)cs1 ZINC000301693688 498227347 /nfs/dbraw/zinc/22/73/47/498227347.db2.gz AAMXHEBTAAJTRC-IAGOWNOFSA-N 1 0 361.486 3.375 10 0 FGAERO C[C@H](O)C[N@@H+]1CCN(c2ccnc3cc(C(F)(F)F)ccc32)C[C@H]1C ZINC000301812940 498276210 /nfs/dbraw/zinc/27/62/10/498276210.db2.gz YKORLMLDUSTFJA-OLZOCXBDSA-N 1 0 353.388 3.145 10 0 FGAERO Cc1nccn1-c1cncc(N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)n1 ZINC000302087456 498401518 /nfs/dbraw/zinc/40/15/18/498401518.db2.gz ZRQMSVWSOZHRBI-WMZOPIPTSA-N 1 0 354.502 3.062 10 0 FGAERO CS(=O)(=O)c1ccc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)cc1 ZINC000302180282 498430646 /nfs/dbraw/zinc/43/06/46/498430646.db2.gz RPWFMIHILBOEJD-JRGCBEDISA-N 1 0 370.518 3.413 10 0 FGAERO CN(C)c1ccc(N[C@H]2CCCN(C(=O)CCc3ccoc3)CC2)cn1 ZINC000328653438 498889232 /nfs/dbraw/zinc/88/92/32/498889232.db2.gz WWGLYQWWEFOEBB-KRWDZBQOSA-N 1 0 356.470 3.166 10 0 FGAERO COc1ccc(O)c(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)c1 ZINC000379707612 499542760 /nfs/dbraw/zinc/54/27/60/499542760.db2.gz TYFJNKYSPOJRHT-KRWDZBQOSA-N 1 0 354.450 3.185 10 0 FGAERO O=C1C[C@@H](C[NH2+]Cc2ccc(F)c(F)c2)[C@H](c2cccnc2)N1C1CC1 ZINC000518977415 504108478 /nfs/dbraw/zinc/10/84/78/504108478.db2.gz PNOOGEYRVMQRLN-YWZLYKJASA-N 1 0 357.404 3.202 10 0 FGAERO CC(C)c1ccc2c(c1)[C@@]1(C[C@H]1C(=O)NC[C@@H]1CC[N@@H+](C3CC3)C1)CCO2 ZINC000583619670 506881021 /nfs/dbraw/zinc/88/10/21/506881021.db2.gz CKONBNBTGWORGM-GRWTVWFQSA-N 1 0 368.521 3.451 10 0 FGAERO C[NH+]1CCC(n2nccc2NC[C@]2(c3ccc(F)cc3)CCOC2)CC1 ZINC000020869581 523785959 /nfs/dbraw/zinc/78/59/59/523785959.db2.gz WBKSCKCFUALGQF-HXUWFJFHSA-N 1 0 358.461 3.059 10 0 FGAERO COc1cccc2c1OC[C@H]([NH2+]Cc1cnn(-c3ccccc3F)c1)C2 ZINC000020454677 524246584 /nfs/dbraw/zinc/24/65/84/524246584.db2.gz CXKOSBMSFBNNMC-MRXNPFEDSA-N 1 0 353.397 3.113 10 0 FGAERO COc1ccc(CCc2[nH+]c(CCCCOC(C)=O)[nH]c2C)cc1OC ZINC000008462231 560209214 /nfs/dbraw/zinc/20/92/14/560209214.db2.gz KKAYZKDSAIGIJC-UHFFFAOYSA-N 1 0 360.454 3.406 10 0 in-vitro FGAERO [NH3+]C[C@@H]1CCC[C@@H]1NS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000089091944 700382190 /nfs/dbraw/zinc/38/21/90/700382190.db2.gz BIYNMHUPEHUHCD-CPCISQLKSA-N 1 0 357.690 3.053 10 0 FGAERO COC[C@H]1CC[N@@H+](C2CCN(c3nnc(-c4ccccc4)s3)CC2)C1 ZINC000096149867 700458995 /nfs/dbraw/zinc/45/89/95/700458995.db2.gz LHTLDSNIMNODPM-HNNXBMFYSA-N 1 0 358.511 3.142 10 0 FGAERO FC(F)(F)Oc1cccc(C[NH2+][C@H]2CCCN(c3cccnn3)C2)c1 ZINC000109070900 700529846 /nfs/dbraw/zinc/52/98/46/700529846.db2.gz SGRHTQZJWNOMNS-AWEZNQCLSA-N 1 0 352.360 3.134 10 0 FGAERO CCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCS2(=O)=O)cc1OCCC ZINC000126869265 700753909 /nfs/dbraw/zinc/75/39/09/700753909.db2.gz MOJCYIAKVXTURV-WBVHZDCISA-N 1 0 369.527 3.492 10 0 FGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccc(C)nc1Br ZINC000151436261 704923646 /nfs/dbraw/zinc/92/36/46/704923646.db2.gz MSKPBYBKHKELQG-GFCCVEGCSA-N 1 0 355.280 3.101 10 0 FGAERO C[C@H]([NH2+]C[C@@H]1CSCCS1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000156602924 705124354 /nfs/dbraw/zinc/12/43/54/705124354.db2.gz UUKHLPQQFIWGQS-SOUVJXGZSA-N 1 0 360.589 3.460 10 0 FGAERO Clc1ccc(C2=NO[C@@H](CN3CCN(c4ccccn4)CC3)C2)cc1 ZINC000159737312 705232563 /nfs/dbraw/zinc/23/25/63/705232563.db2.gz SEKMUUUXIJHSSH-QGZVFWFLSA-N 1 0 356.857 3.050 10 0 FGAERO Brc1ccc2c(c1)[C@H]([N@@H+]1CC[C@H](N3CCOCC3)C1)CCC2 ZINC000179613834 705707087 /nfs/dbraw/zinc/70/70/87/705707087.db2.gz XFGQFWZTTBHIFQ-FUHWJXTLSA-N 1 0 365.315 3.233 10 0 FGAERO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2cc(F)cc(F)c2)cc1OC ZINC000180843489 705760071 /nfs/dbraw/zinc/76/00/71/705760071.db2.gz NBTGAJOEHMWUTH-LLVKDONJSA-N 1 0 350.365 3.271 10 0 FGAERO O=C1CCCN1C[C@H](O)C[NH2+][C@@H](c1cccc(Cl)c1)C1CCCC1 ZINC000181041041 705767947 /nfs/dbraw/zinc/76/79/47/705767947.db2.gz IKYMVSNFFBTGGJ-IEBWSBKVSA-N 1 0 350.890 3.144 10 0 FGAERO C[C@H](NCc1nnc2n1c1ccsc1c(=O)n2C)c1cccc(Cl)c1 ZINC000181420278 705793206 /nfs/dbraw/zinc/79/32/06/705793206.db2.gz ZSDWSTZBXKQXLI-JTQLQIEISA-N 1 0 373.869 3.147 10 0 FGAERO C[C@@H]([NH2+]CC(=O)N(C)CCCOc1ccc(F)cc1)c1cccs1 ZINC000182560996 705850234 /nfs/dbraw/zinc/85/02/34/705850234.db2.gz WGOAXGIKSUBQFL-CQSZACIVSA-N 1 0 350.459 3.465 10 0 FGAERO CNC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(Cl)s2)c1 ZINC000183011648 705874071 /nfs/dbraw/zinc/87/40/71/705874071.db2.gz CFLWHXCWQPVNJR-MNOVXSKESA-N 1 0 365.886 3.439 10 0 FGAERO C[NH2+]CC1CCN(c2ncc(Br)cc2C(F)(F)F)CC1 ZINC000234355731 713579616 /nfs/dbraw/zinc/57/96/16/713579616.db2.gz JTBBKWVAUAYCJP-UHFFFAOYSA-N 1 0 352.198 3.299 10 0 FGAERO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCN(c2ccc(F)cc2)CC1)c1cccs1 ZINC000193221119 712885439 /nfs/dbraw/zinc/88/54/39/712885439.db2.gz HDNJYIZUARGNLD-CABCVRRESA-N 1 0 361.486 3.275 10 0 FGAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000193556974 712895721 /nfs/dbraw/zinc/89/57/21/712895721.db2.gz MFGDXSUOHLKXJD-IINYFYTJSA-N 1 0 353.253 3.049 10 0 FGAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)CCc1cc(Cl)ccc1Br ZINC000193594265 712896661 /nfs/dbraw/zinc/89/66/61/712896661.db2.gz GPEZNYXDZBQGMT-IINYFYTJSA-N 1 0 359.695 3.292 10 0 FGAERO CCCCOc1c(Cl)cc(C(=O)N[C@H]2CCC[NH2+][C@@H]2C)cc1OC ZINC000193634766 713493371 /nfs/dbraw/zinc/49/33/71/713493371.db2.gz REAKGMYSKMWORP-DOMZBBRYSA-N 1 0 354.878 3.398 10 0 FGAERO O=C(N[C@@H]1C[NH+]2CCC1CC2)c1ccc(COc2ccc(Cl)cc2)o1 ZINC000222532667 713570060 /nfs/dbraw/zinc/57/00/60/713570060.db2.gz DLCIVBXPRYSVQR-QGZVFWFLSA-N 1 0 360.841 3.336 10 0 FGAERO Cc1cc(Br)ccc1SCC(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000237574382 713593533 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364.873 3.308 10 0 FGAERO C/C(=C/C(=O)N1CC[N@@H+]2CCCC[C@H]2C1)c1ccccc1OC(F)F ZINC000255658117 713703731 /nfs/dbraw/zinc/70/37/31/713703731.db2.gz GINOOEUHEUUUBY-ZSMUJPCHSA-N 1 0 350.409 3.388 10 0 FGAERO Cc1cc(Cc2cnc(NC(=O)C[C@H](C)[NH3+])s2)ccc1Br ZINC000261909505 713715770 /nfs/dbraw/zinc/71/57/70/713715770.db2.gz WFSBSRFMEZQXPI-JTQLQIEISA-N 1 0 368.300 3.481 10 0 FGAERO [NH3+]CC1(C(=O)Nc2cc(-c3cc(Cl)cc(Cl)c3)[nH]n2)CCOCC1 ZINC000261995527 713716733 /nfs/dbraw/zinc/71/67/33/713716733.db2.gz TZHGCUYUWCILQQ-UHFFFAOYSA-N 1 0 369.252 3.078 10 0 FGAERO C[C@H]([NH2+][C@@H]1CCN2CCCC[C@H]12)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000301314934 713781852 /nfs/dbraw/zinc/78/18/52/713781852.db2.gz UNLIDADNXHGFTA-BSDSXHPESA-N 1 0 351.535 3.238 10 0 FGAERO Cc1c(Br)cccc1NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653064755 719007461 /nfs/dbraw/zinc/00/74/61/719007461.db2.gz DCPKWSGDEQTCQL-RKDXNWHRSA-N 1 0 351.166 3.094 10 0 FGAERO [NH3+][C@@H]1CN(c2ncc(Cl)cc2Br)CC[C@@H]1C(F)(F)F ZINC000716984998 722417098 /nfs/dbraw/zinc/41/70/98/722417098.db2.gz IEAOFZCPJWGZAH-IONNQARKSA-N 1 0 358.589 3.213 10 0 FGAERO CCn1nc(C)c([C@@H](C)[NH2+]C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)c1C ZINC000715138061 722415749 /nfs/dbraw/zinc/41/57/49/722415749.db2.gz UBPFQMVBTCEWOK-DAXOMENPSA-N 1 0 350.507 3.474 10 0 FGAERO CCCn1cc([C@H](C)[NH2+][C@@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)nn1 ZINC000715874257 722416441 /nfs/dbraw/zinc/41/64/41/722416441.db2.gz DXHKBGSFWXYLER-SOUVJXGZSA-N 1 0 351.495 3.032 10 0 FGAERO C[C@H]([NH2+]Cc1nc2c(s1)CCC2)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000719547228 722418853 /nfs/dbraw/zinc/41/88/53/722418853.db2.gz HMQHSWYQTJLPQQ-STQMWFEESA-N 1 0 351.516 3.367 10 0 FGAERO [NH3+]C[C@H]1CN(c2ncc(Br)cc2Cl)C[C@@H]1C(F)(F)F ZINC000720792058 722419400 /nfs/dbraw/zinc/41/94/00/722419400.db2.gz BXLINYGPSXXTOE-XPUUQOCRSA-N 1 0 358.589 3.071 10 0 FGAERO CO[C@@H]1CC[N@@H+]([C@H]2CCC[C@H]2NC(=O)c2cccc(Cl)c2Cl)C1 ZINC000886086581 739216052 /nfs/dbraw/zinc/21/60/52/739216052.db2.gz XCYVBPCZXSKKSL-DFBGVHRSSA-N 1 0 357.281 3.365 10 0 FGAERO CSCCC[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccccc1F)C2=O ZINC000012572509 220007754 /nfs/dbraw/zinc/00/77/54/220007754.db2.gz SZRPBVJBCVAQHN-LJQANCHMSA-N 1 0 350.503 3.393 10 0 FGAERO Cc1ccc(C[NH2+][C@H]2CCc3c(c(C(=O)N(C)C)nn3CC(C)C)C2)cc1 ZINC000014542135 220125338 /nfs/dbraw/zinc/12/53/38/220125338.db2.gz TZDHZQMGBGOFAS-SFHVURJKSA-N 1 0 368.525 3.196 10 0 FGAERO Cc1ccccc1C[NH2+][C@H]1CCc2c(c(C(=O)N(C)C)nn2CC(C)C)C1 ZINC000014749087 220131686 /nfs/dbraw/zinc/13/16/86/220131686.db2.gz HPELAVRTGGLINI-SFHVURJKSA-N 1 0 368.525 3.196 10 0 FGAERO C[N@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)c2noc3c2CCCC3)C1 ZINC000015062667 220142626 /nfs/dbraw/zinc/14/26/26/220142626.db2.gz XAOBXDSAFAAPOF-KRWDZBQOSA-N 1 0 353.466 3.290 10 0 FGAERO CCN(Cc1nccn1C)C(=O)c1ccc(N2CCCCCCC2)nc1 ZINC000015062708 220142870 /nfs/dbraw/zinc/14/28/70/220142870.db2.gz CRDAXLYELOIMPZ-UHFFFAOYSA-N 1 0 355.486 3.248 10 0 FGAERO COc1ccc([C@@H]([NH3+])c2ccccc2I)cc1OC ZINC000019421253 220255555 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CC(C)c1nc2c(cnn2C)c(N2CCC([NH+]3CCCCCC3)CC2)n1 ZINC000072166720 132303116 /nfs/dbraw/zinc/30/31/16/132303116.db2.gz KYIQNHJMNNZLSU-UHFFFAOYSA-N 1 0 356.518 3.332 10 0 FGAERO COc1cccc([C@@H](C)[NH2+][C@@H](C)C(=O)N2CCC=C(c3cccnc3)C2)c1 ZINC000328591868 533712204 /nfs/dbraw/zinc/71/22/04/533712204.db2.gz ZNJLWLVRMVXSMA-SJORKVTESA-N 1 0 365.477 3.445 10 0 FGAERO Cc1ccc([C@@H](C)NC(=O)NCC2([NH+]3CCSCC3)CCCC2)o1 ZINC000048061522 493779872 /nfs/dbraw/zinc/77/98/72/493779872.db2.gz LNYLXQGDMVZDIY-OAHLLOKOSA-N 1 0 351.516 3.310 10 0 FGAERO C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)c1 ZINC000048108912 493786975 /nfs/dbraw/zinc/78/69/75/493786975.db2.gz IQNYACFOKVNRIB-YSGRDPCXSA-N 1 0 365.477 3.314 10 0 FGAERO CCOCc1ccccc1CNC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000048215920 493803528 /nfs/dbraw/zinc/80/35/28/493803528.db2.gz HPVVRQMUOXDIKY-FQEVSTJZSA-N 1 0 355.482 3.325 10 0 FGAERO C[C@@H](NC(=O)NCCC[NH+]1CCC(C)CC1)c1cccc(-n2ccnc2)c1 ZINC000076471030 493900026 /nfs/dbraw/zinc/90/00/26/493900026.db2.gz GZGLIXNDIFVWMS-GOSISDBHSA-N 1 0 369.513 3.355 10 0 FGAERO CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000069179723 493933459 /nfs/dbraw/zinc/93/34/59/493933459.db2.gz ZFPVEQJRLVJBNO-MJGOQNOKSA-N 1 0 373.541 3.212 10 0 FGAERO Cc1[nH]c(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)c(C)c1C(=O)OC(C)C ZINC000031495935 493945899 /nfs/dbraw/zinc/94/58/99/493945899.db2.gz MYGNKZMADBWEQI-KRWDZBQOSA-N 1 0 371.481 3.229 10 0 FGAERO CCc1nc2ccccc2n1CC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000052555849 494039867 /nfs/dbraw/zinc/03/98/67/494039867.db2.gz YBRQOXOFZNDWSN-GOSISDBHSA-N 1 0 350.466 3.018 10 0 FGAERO O=C(Nc1ccc(CN2C(=O)Cc3ccc(Cl)cc32)cc1)[C@H]1CCC[NH2+]1 ZINC000070809807 494059387 /nfs/dbraw/zinc/05/93/87/494059387.db2.gz PRONGMWNXISYKB-QGZVFWFLSA-N 1 0 369.852 3.120 10 0 FGAERO COc1ccc(C[N@H+](C[C@H](O)c2ccccc2)C[C@H]2CCCO2)cc1OC ZINC000036096045 494086621 /nfs/dbraw/zinc/08/66/21/494086621.db2.gz VIPQVNUMTNQLBH-UXHICEINSA-N 1 0 371.477 3.418 10 0 FGAERO Clc1ccc(CNc2nc(-c3ccccn3)nc3c2CC[NH2+]C3)cc1 ZINC000072122597 494128159 /nfs/dbraw/zinc/12/81/59/494128159.db2.gz FDQWMWYVVMTTKD-UHFFFAOYSA-N 1 0 351.841 3.450 10 0 FGAERO COCCCN1C(=O)CC[C@H]2C[N@@H+](Cc3ccc4occc4c3)CC[C@H]21 ZINC000072448556 494176227 /nfs/dbraw/zinc/17/62/27/494176227.db2.gz FLRYEVPILKEKDA-RBUKOAKNSA-N 1 0 356.466 3.282 10 0 FGAERO CC(=O)N1CCc2c(c(-c3ccc(F)cc3)nn2CC[C@@H]2CCC[N@H+]2C)C1 ZINC000078750719 494355691 /nfs/dbraw/zinc/35/56/91/494355691.db2.gz ABXSPPKCGVOWEE-SFHVURJKSA-N 1 0 370.472 3.078 10 0 FGAERO CCC[N@@H+]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(C)s3)[C@H]2C1 ZINC000015932533 494372028 /nfs/dbraw/zinc/37/20/28/494372028.db2.gz RJGOBBBANNUVBG-WMZOPIPTSA-N 1 0 363.490 3.192 10 0 FGAERO CCCC[NH+]1CCC(NC(=O)N[C@H](C)c2cccc(-n3ccnc3)c2)CC1 ZINC000073967570 494458082 /nfs/dbraw/zinc/45/80/82/494458082.db2.gz MQZZDWVZQIEONG-QGZVFWFLSA-N 1 0 369.513 3.497 10 0 FGAERO C[NH+]1CCC(CCNC(=O)N2CCC[C@H]2C[C@H](O)c2ccccc2)CC1 ZINC000074086160 494478369 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COc1ccc(OCCCNC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)cc1 ZINC000056955048 494603058 /nfs/dbraw/zinc/60/30/58/494603058.db2.gz FOIHRSBIZXUHTH-FQEVSTJZSA-N 1 0 371.481 3.066 10 0 FGAERO C[C@@H](NC(=O)N(C)C[C@H]1CCC[N@H+](C)C1)c1cccc(Br)c1 ZINC000115795849 494625490 /nfs/dbraw/zinc/62/54/90/494625490.db2.gz VLJAXRGPVGWZAC-KGLIPLIRSA-N 1 0 368.319 3.493 10 0 FGAERO CCC[NH+]1CCC(N(C)C(=O)N[C@@H](C)c2cccc(-n3ccnc3)c2)CC1 ZINC000074875529 494637578 /nfs/dbraw/zinc/63/75/78/494637578.db2.gz VITZDWJLAKIRFH-KRWDZBQOSA-N 1 0 369.513 3.449 10 0 FGAERO Cc1ccc(C[C@H](NC(=O)N2CC[C@@H]([NH+](C)C)C2)c2ccccn2)cc1 ZINC000115850422 494642740 /nfs/dbraw/zinc/64/27/40/494642740.db2.gz MORBNKWCVOVEAB-QUCCMNQESA-N 1 0 352.482 3.019 10 0 FGAERO Cc1nc(C[C@@H]2CCC[N@H+](C[C@@H]3CC(c4ccc(Cl)cc4)=NO3)C2)no1 ZINC000091741530 494663278 /nfs/dbraw/zinc/66/32/78/494663278.db2.gz HVVOWIATIIBGHV-YOEHRIQHSA-N 1 0 374.872 3.479 10 0 FGAERO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cc(=O)n3c(C)csc3n2)C12CCCC2 ZINC000121250123 494665901 /nfs/dbraw/zinc/66/59/01/494665901.db2.gz NGPKBJFOWBQUMG-HZPDHXFCSA-N 1 0 361.511 3.234 10 0 FGAERO c1ncn([C@H]2CCCN(Cc3nnc(-c4cc5c(s4)CCCC5)o3)C2)n1 ZINC000121264511 494672795 /nfs/dbraw/zinc/67/27/95/494672795.db2.gz WQPPUZWYSVQHJN-AWEZNQCLSA-N 1 0 370.482 3.106 10 0 FGAERO COCCn1cc(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)c2ccccc21 ZINC000057429192 494744214 /nfs/dbraw/zinc/74/42/14/494744214.db2.gz QNLTVAVWCRMBKG-FQEVSTJZSA-N 1 0 365.477 3.320 10 0 FGAERO COc1ccc(C[NH+]2CCC(c3ccnn3C)CC2)c(OC(F)F)c1 ZINC000092810313 494756327 /nfs/dbraw/zinc/75/63/27/494756327.db2.gz KEPNNMJWNMOBED-UHFFFAOYSA-N 1 0 351.397 3.410 10 0 FGAERO CCn1cc(C2CC[NH+](Cc3cc(OC)c(OC)cc3OC)CC2)cn1 ZINC000092809267 494756463 /nfs/dbraw/zinc/75/64/63/494756463.db2.gz RIGGBZIYUFDMHG-UHFFFAOYSA-N 1 0 359.470 3.308 10 0 FGAERO CCN(C(=O)C[N@@H+]1CC[C@@H](c2cnn(C)c2)C1)c1cccc2ccccc21 ZINC000116321867 494761895 /nfs/dbraw/zinc/76/18/95/494761895.db2.gz HCPZEBYZWBNFCA-GOSISDBHSA-N 1 0 362.477 3.416 10 0 FGAERO COc1cccc([C@H](CNC(=O)N[C@H]2CCOc3ccccc32)[NH+](C)C)c1 ZINC000047865353 494783633 /nfs/dbraw/zinc/78/36/33/494783633.db2.gz XALJOMKTDIOXME-OALUTQOASA-N 1 0 369.465 3.121 10 0 FGAERO C[NH+](C)[C@H](CNC(=O)N[C@@H]1CCOc2ccccc21)c1cccc(F)c1 ZINC000047865337 494784035 /nfs/dbraw/zinc/78/40/35/494784035.db2.gz FVBWZBXXAFNTBJ-QZTJIDSGSA-N 1 0 357.429 3.251 10 0 FGAERO COCc1cc(Nc2cnn(CC[NH+]3CCCCC3)c2)nc(C(C)(C)C)n1 ZINC000092978358 494800606 /nfs/dbraw/zinc/80/06/06/494800606.db2.gz ZKDWXEHLCCXDCZ-UHFFFAOYSA-N 1 0 372.517 3.347 10 0 FGAERO Clc1ccc(-n2cc(C[NH2+][C@H]3CCCN(c4cccnn4)C3)cn2)cc1 ZINC000109070772 494826596 /nfs/dbraw/zinc/82/65/96/494826596.db2.gz WUVKBCFEBXXODC-KRWDZBQOSA-N 1 0 368.872 3.074 10 0 FGAERO Brc1ccc(C[NH2+][C@H]2CCCN(c3cccnn3)C2)s1 ZINC000109070953 494827112 /nfs/dbraw/zinc/82/71/12/494827112.db2.gz PPFJWUUMVSLFSU-NSHDSACASA-N 1 0 353.289 3.059 10 0 FGAERO COc1cc(C[NH2+]CCn2cc(C)cn2)ccc1OCc1c(C)noc1C ZINC000109075508 494828130 /nfs/dbraw/zinc/82/81/30/494828130.db2.gz PSDQZLVBCDVESM-UHFFFAOYSA-N 1 0 370.453 3.174 10 0 FGAERO CCCn1cc(CN2CCC[N@H+](Cc3ccc(OC)cc3OC)CC2)cn1 ZINC000121655574 494831412 /nfs/dbraw/zinc/83/14/12/494831412.db2.gz YUPBJBWAARBQQK-UHFFFAOYSA-N 1 0 372.513 3.018 10 0 FGAERO CC(C)[N@H+]1C[C@H](NC(=O)Nc2cccc(NC(=O)c3ccoc3)c2)[C@@H](C)C1 ZINC000121742120 494850243 /nfs/dbraw/zinc/85/02/43/494850243.db2.gz OHNGWELLRKDTKE-KSSFIOAISA-N 1 0 370.453 3.382 10 0 FGAERO C[NH+](C)C[C@H]1CN(C(=O)CCCc2ccc(Cl)c(Cl)c2)CCO1 ZINC000116793275 494854429 /nfs/dbraw/zinc/85/44/29/494854429.db2.gz DMEYGMQULLVLJR-AWEZNQCLSA-N 1 0 359.297 3.105 10 0 FGAERO C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(CSc3ccccc3)cc2)CCO1 ZINC000116794622 494854562 /nfs/dbraw/zinc/85/45/62/494854562.db2.gz GEWKNBWZYJCKGL-LJQANCHMSA-N 1 0 370.518 3.382 10 0 FGAERO Cc1ccc(N2CCC[N@H+](Cc3c[nH]nc3-c3ccc(F)cc3)CC2)nn1 ZINC000093271944 494854713 /nfs/dbraw/zinc/85/47/13/494854713.db2.gz CRRJFWXQDUWFLD-UHFFFAOYSA-N 1 0 366.444 3.027 10 0 FGAERO COc1c(C[NH+]2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)c(C)nn1C ZINC000093319628 494869019 /nfs/dbraw/zinc/86/90/19/494869019.db2.gz UWOJVRGRBQNAGX-SFHVURJKSA-N 1 0 363.889 3.336 10 0 FGAERO CCOCC[N@@H+]1CCN(C(=O)Nc2cccc3cccnc32)C[C@@H]1CC ZINC000116928038 494871520 /nfs/dbraw/zinc/87/15/20/494871520.db2.gz CRQHGSVGSUWZHR-KRWDZBQOSA-N 1 0 356.470 3.199 10 0 FGAERO COc1ccc(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1OCc1cccnc1 ZINC000093437578 494891777 /nfs/dbraw/zinc/89/17/77/494891777.db2.gz BMYMJRALAJVGHA-FXAWDEMLSA-N 1 0 367.493 3.338 10 0 FGAERO CCO[C@H]1C[C@H]([N@H+](C)Cc2ccccc2OCC(=O)N(C)C)C12CCCC2 ZINC000093611057 494904468 /nfs/dbraw/zinc/90/44/68/494904468.db2.gz YARPIOMMSMOGTF-PMACEKPBSA-N 1 0 374.525 3.323 10 0 FGAERO Cc1cccc(C)c1CC[NH2+]Cc1c(C(C)C)nn(C)c1N1CCOCC1 ZINC000132668516 494906667 /nfs/dbraw/zinc/90/66/67/494906667.db2.gz OSNLIGKNHJKBAF-UHFFFAOYSA-N 1 0 370.541 3.329 10 0 FGAERO CC[C@@H]1CN(C(=O)c2cc(C3CC3)nc3ccccc32)CC[N@@H+]1CCOC ZINC000117301033 494908987 /nfs/dbraw/zinc/90/89/87/494908987.db2.gz JBJFIQZQGVETCY-QGZVFWFLSA-N 1 0 367.493 3.295 10 0 FGAERO CC[C@H]1CN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC[N@@H+]1CCOC ZINC000117399059 494916681 /nfs/dbraw/zinc/91/66/81/494916681.db2.gz WEKAGHIFULHBRQ-HNNXBMFYSA-N 1 0 359.392 3.280 10 0 FGAERO CC[N@@H+]1CCC[C@H](Nc2cc(C(F)(F)F)nc(-c3cccnc3)n2)C1 ZINC000110102439 494948971 /nfs/dbraw/zinc/94/89/71/494948971.db2.gz YHUIXYKFGRGCDK-ZDUSSCGKSA-N 1 0 351.376 3.454 10 0 FGAERO CCC[C@H](C(=O)Nc1nnc(Cc2cccc(Cl)c2)s1)[NH+](C)C ZINC000122537361 494991043 /nfs/dbraw/zinc/99/10/43/494991043.db2.gz JOEGBMMFUZFRPU-CYBMUJFWSA-N 1 0 352.891 3.451 10 0 FGAERO CCCOc1ccc(CN2CCO[C@@H](Cn3nc(C)cc3C)C2)cc1OC ZINC000122617899 495004402 /nfs/dbraw/zinc/00/44/02/495004402.db2.gz PZGXWFVBWSHLOA-LJQANCHMSA-N 1 0 373.497 3.198 10 0 FGAERO CCn1cnnc1[C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](CC)CC)C1 ZINC000110751347 495006364 /nfs/dbraw/zinc/00/63/64/495006364.db2.gz GNNKSUCMQFSNMQ-MOPGFXCFSA-N 1 0 369.513 3.087 10 0 FGAERO CC[NH+](CC)CCOc1ccc(NC(=O)N2CCS[C@@H](C)C2)cc1 ZINC000118545689 495008525 /nfs/dbraw/zinc/00/85/25/495008525.db2.gz QVWLPIWGNYYUKB-HNNXBMFYSA-N 1 0 351.516 3.376 10 0 FGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCCc1ccccc1Br ZINC000133409152 495010393 /nfs/dbraw/zinc/01/03/93/495010393.db2.gz BBXQVAGZEYRPSB-GDBMZVCRSA-N 1 0 365.315 3.467 10 0 FGAERO O=c1c2ccccc2c(C[N@H+]2CCCC[C@@H]2CO)cn1Cc1ccccc1 ZINC000096837480 495014749 /nfs/dbraw/zinc/01/47/49/495014749.db2.gz FNPQRRVDUAKKBO-HXUWFJFHSA-N 1 0 362.473 3.397 10 0 FGAERO Cc1ccc([C@@H](CNC(=O)[C@@H](C)c2ccccc2)N2CCOCC2)s1 ZINC000128057284 495038173 /nfs/dbraw/zinc/03/81/73/495038173.db2.gz JOZKOHVOEBDKDF-FUHWJXTLSA-N 1 0 358.507 3.350 10 0 FGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(OC)c(-c2ccccn2)c1 ZINC000133695826 495047858 /nfs/dbraw/zinc/04/78/58/495047858.db2.gz YYBDCQVJVMGWGP-QGZVFWFLSA-N 1 0 353.466 3.314 10 0 FGAERO Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000119007754 495070097 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351.454 3.058 10 0 FGAERO CCOc1ccc([C@@H](CC)[NH2+]C[C@@H](C)N2CCOCC2)cc1OCC ZINC000123510253 495143788 /nfs/dbraw/zinc/14/37/88/495143788.db2.gz MTOJWVNZHPIMTN-SJLPKXTDSA-N 1 0 350.503 3.245 10 0 FGAERO CC[C@@H](O)C[NH+]1CCN(Cc2ccc(Oc3cccnc3)c(C)c2)CC1 ZINC000123565899 495153145 /nfs/dbraw/zinc/15/31/45/495153145.db2.gz BIKUUCPCWPHFDO-LJQANCHMSA-N 1 0 355.482 3.071 10 0 FGAERO CCCC(=O)Nc1cccc(CNC(=O)N[C@H](CC(C)C)C[NH+](C)C)c1 ZINC000119542591 495186782 /nfs/dbraw/zinc/18/67/82/495186782.db2.gz IIUGOYZERNOXHQ-GOSISDBHSA-N 1 0 362.518 3.201 10 0 FGAERO Cc1cc(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)c(C)n1Cc1ccccn1 ZINC000119561462 495191025 /nfs/dbraw/zinc/19/10/25/495191025.db2.gz ZIYBYGAWWPTZNJ-HXUWFJFHSA-N 1 0 368.525 3.398 10 0 FGAERO Cc1ccc([C@H]2CCCCN2C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)o1 ZINC000129081771 495193210 /nfs/dbraw/zinc/19/32/10/495193210.db2.gz AUOPMPDKCKKLTC-GOSISDBHSA-N 1 0 368.481 3.102 10 0 FGAERO C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1)c1ccccc1 ZINC000112701240 495226686 /nfs/dbraw/zinc/22/66/86/495226686.db2.gz DUBQTQUUTDTFCP-OKZBNKHCSA-N 1 0 373.541 3.127 10 0 FGAERO OC[C@@H]1c2ccccc2CC[N@H+]1C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000129403033 495241208 /nfs/dbraw/zinc/24/12/08/495241208.db2.gz VYEGLRJPPBRBJQ-IEBWSBKVSA-N 1 0 365.395 3.201 10 0 FGAERO CCCOc1c(Cl)cc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1OC ZINC000113228206 495285637 /nfs/dbraw/zinc/28/56/37/495285637.db2.gz FTFUVDZTUISXOW-ZFWWWQNUSA-N 1 0 366.889 3.446 10 0 FGAERO Cc1cccc(-c2nc(CC(=O)N3C[C@H]4CCC[N@H+]4C[C@@H]3C)cs2)c1 ZINC000113223288 495285982 /nfs/dbraw/zinc/28/59/82/495285982.db2.gz SLWSKYPKXVYOJP-MAUKXSAKSA-N 1 0 355.507 3.356 10 0 FGAERO Fc1ccc(C[NH2+][C@@H]2CCCN(c3cccnn3)C2)c(Br)c1 ZINC000113440506 495306170 /nfs/dbraw/zinc/30/61/70/495306170.db2.gz LWQCXFZNVXYFFW-CQSZACIVSA-N 1 0 365.250 3.137 10 0 FGAERO CN(C)[C@@H](C[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccco1 ZINC000129934288 495316129 /nfs/dbraw/zinc/31/61/29/495316129.db2.gz ROLVHSJGRGSOMO-HOTGVXAUSA-N 1 0 351.491 3.119 10 0 FGAERO CC(C)CCC[C@H](C)NC(=O)C[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000120175619 495322155 /nfs/dbraw/zinc/32/21/55/495322155.db2.gz HEGIIGXIATXEJQ-HOTGVXAUSA-N 1 0 368.543 3.072 10 0 FGAERO Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000105026304 495328088 /nfs/dbraw/zinc/32/80/88/495328088.db2.gz PDXNKLJPLLWHIT-SFHVURJKSA-N 1 0 372.513 3.083 10 0 FGAERO Cn1nccc1C1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000124711995 495331715 /nfs/dbraw/zinc/33/17/15/495331715.db2.gz FERLRXCHUQYYGU-UHFFFAOYSA-N 1 0 352.482 3.036 10 0 FGAERO C[C@@H](NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1cccc(Br)c1 ZINC000105119992 495338841 /nfs/dbraw/zinc/33/88/41/495338841.db2.gz CKAASZOTRFQEDZ-CZUORRHYSA-N 1 0 366.303 3.390 10 0 FGAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](c2cccc(F)c2)c2ccccn2)C1 ZINC000130127566 495345577 /nfs/dbraw/zinc/34/55/77/495345577.db2.gz XCFSQUNGOSLOOV-HKUYNNGSSA-N 1 0 356.445 3.094 10 0 FGAERO Cn1ccnc1COc1ccc(C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)cc1 ZINC000114203113 495353885 /nfs/dbraw/zinc/35/38/85/495353885.db2.gz QLJISRLJUUQGAT-LJQANCHMSA-N 1 0 351.454 3.449 10 0 FGAERO Cc1cc(C)n(C[C@H]2CN(c3cc(C)[nH+]c4ccc(F)cc43)CCO2)n1 ZINC000124885956 495359969 /nfs/dbraw/zinc/35/99/69/495359969.db2.gz ZVSIMECHIXIGTR-QGZVFWFLSA-N 1 0 354.429 3.401 10 0 FGAERO Cc1ccc(-c2csc(NC(=O)CN3CC[C@H](C[NH+](C)C)C3)n2)cc1C ZINC000114480387 495381700 /nfs/dbraw/zinc/38/17/00/495381700.db2.gz GJDKPFAJWZSMNB-MRXNPFEDSA-N 1 0 372.538 3.249 10 0 FGAERO O=C(CSc1ccncc1)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000125051175 495383360 /nfs/dbraw/zinc/38/33/60/495383360.db2.gz KZTXCCGJGLIACW-GOSISDBHSA-N 1 0 355.507 3.345 10 0 FGAERO CCC[C@@H](C(=O)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1)[NH+](C)C ZINC000130391632 495384920 /nfs/dbraw/zinc/38/49/20/495384920.db2.gz KTZYZSOKVZXIII-WBVHZDCISA-N 1 0 374.460 3.312 10 0 FGAERO COc1ccc(CNC(=O)N[C@H](C[NH+](C)C)c2ccccc2)cc1Cl ZINC000136580063 495388402 /nfs/dbraw/zinc/38/84/02/495388402.db2.gz GJYUYLRJEQGOCV-QGZVFWFLSA-N 1 0 361.873 3.451 10 0 FGAERO Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000114595951 495396865 /nfs/dbraw/zinc/39/68/65/495396865.db2.gz PSEZOBUIVMRCQK-QZTJIDSGSA-N 1 0 361.534 3.004 10 0 FGAERO C[N@H+](Cc1coc(-c2cccc(F)c2)n1)[C@H]1CCCN(c2cccnn2)C1 ZINC000106076242 495408958 /nfs/dbraw/zinc/40/89/58/495408958.db2.gz XSZDDMFPAKVGCW-SFHVURJKSA-N 1 0 367.428 3.372 10 0 FGAERO C[N@H+](Cc1cc(F)cc2cccnc21)[C@@H]1CCCN(c2cccnn2)C1 ZINC000106076246 495409049 /nfs/dbraw/zinc/40/90/49/495409049.db2.gz UJMSAMSJVHWBQQ-GOSISDBHSA-N 1 0 351.429 3.265 10 0 FGAERO CN1CCO[C@@H](CNC(=O)CCCCc2ccc(Cl)c(Cl)c2)C1 ZINC000120583895 495411075 /nfs/dbraw/zinc/41/10/75/495411075.db2.gz NVVSRHDNXOJOFA-AWEZNQCLSA-N 1 0 359.297 3.153 10 0 FGAERO CN(c1cccnn1)C1CC[NH+](CCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000106083636 495412356 /nfs/dbraw/zinc/41/23/56/495412356.db2.gz NHUWHAPFLWSARU-UHFFFAOYSA-N 1 0 373.888 3.059 10 0 FGAERO CC[C@@H]1CN(Cc2csc(-c3cccs3)n2)CC[N@@H+]1C[C@@H](C)O ZINC000106104618 495414148 /nfs/dbraw/zinc/41/41/48/495414148.db2.gz QQRJGCOPWIAOEV-UKRRQHHQSA-N 1 0 351.541 3.149 10 0 FGAERO CCc1cccc(C)c1NC(=O)C[N@@H+]1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000106179320 495425135 /nfs/dbraw/zinc/42/51/35/495425135.db2.gz SKFCERCKJMZCLC-GOSISDBHSA-N 1 0 369.513 3.116 10 0 FGAERO COc1ccc(OCCC[N@@H+]2CCC[C@H](Cn3nc(C)nc3C)C2)cc1 ZINC000106180227 495425749 /nfs/dbraw/zinc/42/57/49/495425749.db2.gz CRUYBIRFJHAMCC-SFHVURJKSA-N 1 0 358.486 3.085 10 0 FGAERO CC(C)(C)c1ccc(OC[C@@H](O)C[NH+]2CCC(Cn3cccn3)CC2)cc1 ZINC000106182423 495426493 /nfs/dbraw/zinc/42/64/93/495426493.db2.gz VLEWRQDKCQDYHD-FQEVSTJZSA-N 1 0 371.525 3.333 10 0 FGAERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1CCC(=O)N1CCc2sccc2C1 ZINC000106206036 495429929 /nfs/dbraw/zinc/42/99/29/495429929.db2.gz SFOHOVOSEWCIJJ-KRWDZBQOSA-N 1 0 372.538 3.210 10 0 FGAERO Cc1cnn([C@H]2CCC[N@H+](C[C@H](O)c3cccc(Br)c3)C2)c1 ZINC000106224002 495438229 /nfs/dbraw/zinc/43/82/29/495438229.db2.gz ZBQCKKKBZMEKKE-IRXDYDNUSA-N 1 0 364.287 3.325 10 0 FGAERO CCOCC[N@@H+]1CCN(Cc2csc([C@@H](C)OCC)n2)C[C@H]1CC ZINC000120708949 495440414 /nfs/dbraw/zinc/44/04/14/495440414.db2.gz AROVCSZHKPAQJY-NVXWUHKLSA-N 1 0 355.548 3.173 10 0 FGAERO CN(Cc1ccc(OC(F)F)cc1)C(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000106426007 495454165 /nfs/dbraw/zinc/45/41/65/495454165.db2.gz WNTBPZFTRVULEA-SFHVURJKSA-N 1 0 362.420 3.419 10 0 FGAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCc1cccc(Br)c1 ZINC000106434887 495455753 /nfs/dbraw/zinc/45/57/53/495455753.db2.gz ABAIYUNJCLVQTL-KRWDZBQOSA-N 1 0 361.283 3.238 10 0 FGAERO CCOC(=O)Nc1ccc(NC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)cc1 ZINC000106458662 495458212 /nfs/dbraw/zinc/45/82/12/495458212.db2.gz FYBUHWQZWSRNJO-GOSISDBHSA-N 1 0 355.438 3.366 10 0 FGAERO Cc1ccsc1C(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000115158341 495469059 /nfs/dbraw/zinc/46/90/59/495469059.db2.gz ILYUMPYGRPSUGI-GOSISDBHSA-N 1 0 358.507 3.232 10 0 FGAERO Cc1ccccc1CC(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000115158286 495469387 /nfs/dbraw/zinc/46/93/87/495469387.db2.gz AKOYSGSOZYUBGW-JOCHJYFZSA-N 1 0 366.505 3.099 10 0 FGAERO COCCOc1ccc(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1Cl ZINC000120952572 495491950 /nfs/dbraw/zinc/49/19/50/495491950.db2.gz CMDPDOHZCCEVKP-BBRMVZONSA-N 1 0 369.893 3.215 10 0 FGAERO COC(=O)c1cc([C@H](O)C[NH2+]C(C)(C)C)ccc1OCc1ccccc1 ZINC000140945142 495501048 /nfs/dbraw/zinc/50/10/48/495501048.db2.gz XKKHEBAZHSBZQI-GOSISDBHSA-N 1 0 357.450 3.474 10 0 FGAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000106911216 495511278 /nfs/dbraw/zinc/51/12/78/495511278.db2.gz RKKKJSCQNKPHFS-BHDDXSALSA-N 1 0 366.505 3.443 10 0 FGAERO C[C@@H](NC(=O)[C@H](C)N1CC[NH+](C2CCC(C)CC2)CC1)c1ccccc1 ZINC000115565464 495518477 /nfs/dbraw/zinc/51/84/77/495518477.db2.gz GVXPQLJTWIGSJL-LSNYBQGISA-N 1 0 357.542 3.449 10 0 FGAERO CC[C@H]1COCC[N@@H+]1C[C@H](O)COC(c1ccccc1)c1ccccc1 ZINC000115575324 495519173 /nfs/dbraw/zinc/51/91/73/495519173.db2.gz MIWDCIZWLVHWDI-SFTDATJTSA-N 1 0 355.478 3.264 10 0 FGAERO O=C(Nc1c(F)cc(Br)cc1F)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000173472669 495545978 /nfs/dbraw/zinc/54/59/78/495545978.db2.gz SFPRWMIYWWJONH-LLVKDONJSA-N 1 0 374.229 3.429 10 0 FGAERO CC1(C)CCCN1C(=O)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000173495842 495558414 /nfs/dbraw/zinc/55/84/14/495558414.db2.gz RJLOHGNDJANDSN-IBGZPJMESA-N 1 0 359.514 3.016 10 0 FGAERO C[C@H]1CCCCN1C(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000173496243 495558795 /nfs/dbraw/zinc/55/87/95/495558795.db2.gz LVHAZBGKLCBZRC-FXAWDEMLSA-N 1 0 359.514 3.016 10 0 FGAERO CC[C@@H]1CN(C(=O)Nc2ccc(C(C)=O)c(Cl)c2)CC[N@@H+]1CCOC ZINC000182482961 495579910 /nfs/dbraw/zinc/57/99/10/495579910.db2.gz UUSTUVWDVPZFLS-OAHLLOKOSA-N 1 0 367.877 3.117 10 0 FGAERO CC[NH+](CC)[C@H](CNC(=O)N1CCCC[C@H]1c1cn[nH]c1)c1ccco1 ZINC000182498567 495587277 /nfs/dbraw/zinc/58/72/77/495587277.db2.gz SSKIRDJZMJNSSQ-DLBZAZTESA-N 1 0 359.474 3.322 10 0 FGAERO COc1ccc(O[C@H](C)CNC(=O)N[C@H](C[NH+](C)C)c2ccccc2)cc1 ZINC000173563402 495589387 /nfs/dbraw/zinc/58/93/87/495589387.db2.gz QETAHCHBAJRLDG-OXQOHEQNSA-N 1 0 371.481 3.065 10 0 FGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1[nH]c(-c2cccc(OC)c2)nc1C ZINC000154356869 495591574 /nfs/dbraw/zinc/59/15/74/495591574.db2.gz GVDVGYMRRRIZSF-IAGOWNOFSA-N 1 0 368.481 3.093 10 0 FGAERO C/[NH+]=C(\SC)N1CCCC[C@@H]1c1nnn(-c2cccc(Cl)c2)n1 ZINC000149382073 495594434 /nfs/dbraw/zinc/59/44/34/495594434.db2.gz QJJPCOSRIQWVBY-WKSPDDFDSA-N 1 0 350.879 3.192 10 0 FGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cnc(Cc3ccc(F)cc3)s2)C1 ZINC000158853833 495601845 /nfs/dbraw/zinc/60/18/45/495601845.db2.gz YLYHVIJWRQBLHC-CJNGLKHVSA-N 1 0 361.486 3.332 10 0 FGAERO C[C@@H]1C[C@@H]1NC(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000170806311 495611089 /nfs/dbraw/zinc/61/10/89/495611089.db2.gz VNZKBDTUWONTDU-CJNGLKHVSA-N 1 0 355.404 3.331 10 0 FGAERO C[C@H]1C[C@@H]1NC(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000170806312 495611270 /nfs/dbraw/zinc/61/12/70/495611270.db2.gz VNZKBDTUWONTDU-BBRMVZONSA-N 1 0 355.404 3.331 10 0 FGAERO CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000150712316 495612271 /nfs/dbraw/zinc/61/22/71/495612271.db2.gz QMFKXCPWVNFCLO-AAEUAGOBSA-N 1 0 372.296 3.298 10 0 FGAERO COc1cc(CNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)ccc1OCc1ccccc1 ZINC000150749568 495620686 /nfs/dbraw/zinc/62/06/86/495620686.db2.gz NGFCPWUZMDDLLN-RBUKOAKNSA-N 1 0 368.477 3.408 10 0 FGAERO O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000179519874 495626089 /nfs/dbraw/zinc/62/60/89/495626089.db2.gz CAVZRVFIIRZSBW-HUUCEWRRSA-N 1 0 359.367 3.309 10 0 FGAERO C[NH+](C)[C@@H]1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccs2)C1 ZINC000170859003 495630467 /nfs/dbraw/zinc/63/04/67/495630467.db2.gz CGDKTUSCFOLIFR-MRXNPFEDSA-N 1 0 366.490 3.377 10 0 FGAERO Cc1cc(C(=O)N2CC[C@@H]([NH+](C)C)C2)c2ccc(Br)cc2n1 ZINC000170865090 495631707 /nfs/dbraw/zinc/63/17/07/495631707.db2.gz UBHFLTRAQYFEDB-CYBMUJFWSA-N 1 0 362.271 3.082 10 0 FGAERO Cc1cc2cc(C(=O)N(C)CC3CC[NH+](C[C@@H](C)O)CC3)oc2cc1C ZINC000176455667 495656843 /nfs/dbraw/zinc/65/68/43/495656843.db2.gz AUGLIFUPCLUDEF-MRXNPFEDSA-N 1 0 358.482 3.214 10 0 FGAERO C[C@H](CC(=O)N[C@H](C[NH+](C)C)c1ccccc1)C(=O)c1cccc(F)c1 ZINC000173723727 495665147 /nfs/dbraw/zinc/66/51/47/495665147.db2.gz FJQHCLQPHZDBSR-DNVCBOLYSA-N 1 0 356.441 3.454 10 0 FGAERO CCc1nccn1[C@H]1CCCN(C(=O)Nc2ccc(C(=O)OC)cc2F)C1 ZINC000150937183 495687573 /nfs/dbraw/zinc/68/75/73/495687573.db2.gz MRORDSWBAYOCOA-AWEZNQCLSA-N 1 0 374.416 3.240 10 0 FGAERO C[C@@H]1CC[C@H](C(=O)N(CC[NH+](C)C)Cc2cccc(C(F)(F)F)c2)O1 ZINC000151044302 495721430 /nfs/dbraw/zinc/72/14/30/495721430.db2.gz SVHBVMYJUXDJGI-CZUORRHYSA-N 1 0 358.404 3.163 10 0 FGAERO CC[N@@H+]1CCC[C@H](NC(=O)NCC2(CCOCc3ccccc3)CC2)C1 ZINC000185820326 495737547 /nfs/dbraw/zinc/73/75/47/495737547.db2.gz CCRAIQRMZLHARN-IBGZPJMESA-N 1 0 359.514 3.157 10 0 FGAERO C[NH+](C)[C@@H]1CCN(C(=O)NC[C@H](Cc2ccccc2)c2ccccc2)C1 ZINC000176661494 495738329 /nfs/dbraw/zinc/73/83/29/495738329.db2.gz CKCLVCOLFBZNTO-LEWJYISDSA-N 1 0 351.494 3.358 10 0 FGAERO Cc1cccc(NC[C@H]2CCN(Cc3noc(-c4ccsc4)n3)C2)[nH+]1 ZINC000151113809 495740958 /nfs/dbraw/zinc/74/09/58/495740958.db2.gz FCKCQDUFDNCVQP-CQSZACIVSA-N 1 0 355.467 3.436 10 0 FGAERO CC(C)OCC[NH+]1CCC(NC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000176673774 495743894 /nfs/dbraw/zinc/74/38/94/495743894.db2.gz VRMQPUPVTZFCSN-IRXDYDNUSA-N 1 0 366.452 3.074 10 0 FGAERO Cc1cc2cc(C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)oc2c(Br)c1 ZINC000182969120 495780205 /nfs/dbraw/zinc/78/02/05/495780205.db2.gz PZGKJLSJUIWXJU-CYBMUJFWSA-N 1 0 363.255 3.424 10 0 FGAERO COc1ccc2nc(C3CC3)cc(C(=O)N3C[C@H]4CCC[N@@H+]4C[C@H]3C)c2c1 ZINC000151310830 495800859 /nfs/dbraw/zinc/80/08/59/495800859.db2.gz GYEKRENAAXLARI-GDBMZVCRSA-N 1 0 365.477 3.430 10 0 FGAERO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+][C@H]2CCO[C@]3(CCSC3)C2)C1 ZINC000151428611 495837775 /nfs/dbraw/zinc/83/77/75/495837775.db2.gz XFTWPNDNSZYPOM-JTDSTZFVSA-N 1 0 370.559 3.278 10 0 FGAERO C[C@@H](NC(=O)NC[C@H](C)C[NH+]1CCCCC1)c1cccc(-n2ccnc2)c1 ZINC000174173319 495849133 /nfs/dbraw/zinc/84/91/33/495849133.db2.gz OCCVQEMWFWJFQX-ZWKOTPCHSA-N 1 0 369.513 3.355 10 0 FGAERO Cc1ccc([C@@H]([NH2+]CC2(C(N)=O)CCOCC2)c2ccccc2)c(C)c1 ZINC000180099898 495858404 /nfs/dbraw/zinc/85/84/04/495858404.db2.gz AWWOTKZKTJWUNP-FQEVSTJZSA-N 1 0 352.478 3.265 10 0 FGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1csc(-c2ccc3c(c2)OCO3)n1 ZINC000176972135 495864923 /nfs/dbraw/zinc/86/49/23/495864923.db2.gz XXYMMNYJUQOAGS-AWEZNQCLSA-N 1 0 373.478 3.095 10 0 FGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(-n2ccnc2SC)cc1 ZINC000176980431 495868718 /nfs/dbraw/zinc/86/87/18/495868718.db2.gz VIZDDUWRSUPARK-KRWDZBQOSA-N 1 0 358.511 3.151 10 0 FGAERO CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H](C)CSc2ccccc2OC)C1 ZINC000171430575 495870295 /nfs/dbraw/zinc/87/02/95/495870295.db2.gz GTDVIGVBMJUEKT-HZPDHXFCSA-N 1 0 365.543 3.207 10 0 FGAERO COc1ccc(C[N@@H+]2CCC[C@@H]2Cn2ccnc2C)cc1OC(F)F ZINC000180127375 495870397 /nfs/dbraw/zinc/87/03/97/495870397.db2.gz MJPRCVMVXIWLST-OAHLLOKOSA-N 1 0 351.397 3.466 10 0 FGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cnn(-c2cccc(Cl)c2)c1C ZINC000176989076 495874059 /nfs/dbraw/zinc/87/40/59/495874059.db2.gz FNXTTXZFQSNSCS-KRWDZBQOSA-N 1 0 360.889 3.390 10 0 FGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cnn(-c2ccccc2Cl)c1C ZINC000176992926 495874779 /nfs/dbraw/zinc/87/47/79/495874779.db2.gz HZIATQNRLLXZAT-HNNXBMFYSA-N 1 0 360.889 3.390 10 0 FGAERO Cc1nc(C[C@@H]2CCC[N@H+](CCC(=O)Nc3cccc(Cl)c3)C2)no1 ZINC000171503528 495903026 /nfs/dbraw/zinc/90/30/26/495903026.db2.gz JYUKYUWSTKSRAH-AWEZNQCLSA-N 1 0 362.861 3.315 10 0 FGAERO O[C@@H](C[NH+]1CCC(Cn2cccn2)CC1)c1ccccc1C(F)(F)F ZINC000171509591 495905952 /nfs/dbraw/zinc/90/59/52/495905952.db2.gz DITBQDNGDMDBKY-KRWDZBQOSA-N 1 0 353.388 3.348 10 0 FGAERO FC(F)(F)c1cccc(OCCC[N@@H+]2CCC[C@@H](n3cncn3)C2)c1 ZINC000171525432 495913452 /nfs/dbraw/zinc/91/34/52/495913452.db2.gz YGNBPKNHQNGGIT-OAHLLOKOSA-N 1 0 354.376 3.403 10 0 FGAERO C[NH+](C)C[C@H](NC(=O)Nc1ccc2c(c1)CCCC(=O)N2)c1ccccc1 ZINC000171526955 495914605 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CC[C@H](C)[N@@H+](Cc1cc(OC)cc(OC)c1)C[C@@H](O)COCC(C)C ZINC000169678078 705350643 /nfs/dbraw/zinc/35/06/43/705350643.db2.gz FMIJMUJXWRUYHF-FUHWJXTLSA-N 1 0 353.503 3.338 10 0 FGAERO Nc1cc(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)cc(Cl)n1 ZINC000171206077 705379111 /nfs/dbraw/zinc/37/91/11/705379111.db2.gz BOJVIRMFBDPJFW-INIZCTEOSA-N 1 0 358.873 3.102 10 0 FGAERO COc1ccc(CN2CC[NH+](C[C@@H](O)c3ccccc3)CC2)cc1Cl ZINC000179041556 705686254 /nfs/dbraw/zinc/68/62/54/705686254.db2.gz CTIGHUBCYQSYMM-LJQANCHMSA-N 1 0 360.885 3.200 10 0 FGAERO Cc1nn(C)c(C)c1CN1CCN(Cc2cc(Cl)cc(C)c2O)CC1 ZINC000180103705 705728016 /nfs/dbraw/zinc/72/80/16/705728016.db2.gz CULTXZGUCCRVQN-UHFFFAOYSA-N 1 0 362.905 3.022 10 0 FGAERO COc1cccc(S(=O)(=O)CC[NH2+][C@@H](C)c2ccc(F)c(F)c2)c1 ZINC000181628254 705801636 /nfs/dbraw/zinc/80/16/36/705801636.db2.gz FLMHRHLXTSCGCE-LBPRGKRZSA-N 1 0 355.406 3.098 10 0 FGAERO C[C@H]([NH2+]CCC(=O)NC(=O)NCc1ccccc1)c1ccc(Cl)s1 ZINC000182958480 705870680 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3.386 10 0 FGAERO CC[C@@H]([NH2+]CC1(C)OCCCO1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000190670822 712819550 /nfs/dbraw/zinc/81/95/50/712819550.db2.gz MSKOJEKTRDULIG-CVEARBPZSA-N 1 0 356.507 3.297 10 0 FGAERO O[C@@H](CN1CC[NH+](CCSCc2ccccc2)CC1)c1ccccc1 ZINC000192574859 712866953 /nfs/dbraw/zinc/86/69/53/712866953.db2.gz CHGUUGLYWQKQPF-NRFANRHFSA-N 1 0 356.535 3.271 10 0 FGAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)CCSc1ccccc1Br ZINC000193492369 712893384 /nfs/dbraw/zinc/89/33/84/712893384.db2.gz PVKUUKQKZFGXND-DGCLKSJQSA-N 1 0 357.317 3.188 10 0 FGAERO CCN(CC)c1nc2sc(C(=O)N[C@H]3CCC[C@@H]3C[NH3+])cc2s1 ZINC000236985234 713586386 /nfs/dbraw/zinc/58/63/86/713586386.db2.gz SFCAOGBMJBGUEQ-MNOVXSKESA-N 1 0 352.529 3.061 10 0 FGAERO COc1cc(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])cc(Cl)c1OCC(C)C ZINC000237269151 713590209 /nfs/dbraw/zinc/59/02/09/713590209.db2.gz QRIDWYLRHPYUIT-IUODEOHRSA-N 1 0 354.878 3.241 10 0 FGAERO CCC[C@H](C(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)[NH+](C)C ZINC000245515099 713606283 /nfs/dbraw/zinc/60/62/83/713606283.db2.gz PXZZEIIBQNCKBF-SUNYJGFJSA-N 1 0 351.466 3.108 10 0 FGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cc(Cl)cc(C(=O)OC)c1 ZINC000246005979 713615316 /nfs/dbraw/zinc/61/53/16/713615316.db2.gz HHZDQTQNEAJOFU-HOTGVXAUSA-N 1 0 365.861 3.217 10 0 FGAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@H](O)c2cc(Cl)cc(Cl)c2)C1 ZINC000246772573 713630397 /nfs/dbraw/zinc/63/03/97/713630397.db2.gz CDZXHSFAWBBCSN-LYRGGWFBSA-N 1 0 374.312 3.055 10 0 FGAERO C[NH2+][C@@H](C)CNS(=O)(=O)c1ccc(Oc2cccc(Cl)c2)cc1 ZINC000261614343 713711594 /nfs/dbraw/zinc/71/15/94/713711594.db2.gz AOSQSOXQWYVTSE-LBPRGKRZSA-N 1 0 354.859 3.019 10 0 FGAERO C[NH2+][C@@H](C)CNC(=O)c1cc2c(C)nn(-c3ccc(Cl)cc3)c2s1 ZINC000261841059 713715176 /nfs/dbraw/zinc/71/51/76/713715176.db2.gz WIIKTYNGAQWSGB-JTQLQIEISA-N 1 0 362.886 3.387 10 0 FGAERO C[N@@H+]1CC[C@H]2CN(C(=O)c3cc(Br)ccc3Cl)C[C@H]2C1 ZINC000380693274 713977151 /nfs/dbraw/zinc/97/71/51/713977151.db2.gz FQYKXDOJVHAAGH-WDEREUQCSA-N 1 0 357.679 3.126 10 0 FGAERO [NH3+]C1CCN(S(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)CC1 ZINC000390822935 713988740 /nfs/dbraw/zinc/98/87/40/713988740.db2.gz NVTAFKUCKNGMCD-UHFFFAOYSA-N 1 0 350.871 3.119 10 0 FGAERO C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1CCCC[C@@H]1c1nccs1 ZINC000638096466 717407727 /nfs/dbraw/zinc/40/77/27/717407727.db2.gz NVEVSMUJOZPRJR-USXIJHARSA-N 1 0 359.495 3.129 10 0 FGAERO CC(C)(C)C1CCC(n2nnc(C[NH3+])c2I)CC1 ZINC000675051355 721726440 /nfs/dbraw/zinc/72/64/40/721726440.db2.gz HPCKIEDZSHZJQF-UHFFFAOYSA-N 1 0 362.259 3.119 10 0 FGAERO Cn1ncc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)c1Cl ZINC000712454455 722414473 /nfs/dbraw/zinc/41/44/73/722414473.db2.gz FWTMHJCJZBTOEM-AGUYFDCRSA-N 1 0 354.882 3.094 10 0 FGAERO CC(C)(C)OC(=O)NC1CC(C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)C1 ZINC000894559421 742299064 /nfs/dbraw/zinc/29/90/64/742299064.db2.gz GKHJWRBEQOUENN-ZALBZXLWSA-N 1 0 354.882 3.087 10 0 FGAERO CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H]([NH+]1CCC(C)CC1)C2 ZINC000014751787 220132585 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CCOc1c(Br)cc(C[NH2+][C@H]2CCCC[C@H]2O)cc1OC ZINC000051996906 221037304 /nfs/dbraw/zinc/03/73/04/221037304.db2.gz AKONPICQLJJRQB-UONOGXRCSA-N 1 0 358.276 3.250 10 0 FGAERO CC(C)C[NH+]1CCC(C(=O)NCc2cccc(OC[C@@H]3CCCO3)c2)CC1 ZINC000055481642 221070812 /nfs/dbraw/zinc/07/08/12/221070812.db2.gz PGUZXPMACCQKQF-NRFANRHFSA-N 1 0 374.525 3.229 10 0 FGAERO C[C@@]1(C(=O)Nc2ccc(Br)cc2Br)CC[NH2+]C1 ZINC000062892137 221141082 /nfs/dbraw/zinc/14/10/82/221141082.db2.gz YQBCJXZFCNMEOI-GFCCVEGCSA-N 1 0 362.065 3.150 10 0 FGAERO COc1ccc(C[N@@H+]2CCC[C@@H]2c2cc(C)no2)cc1CN1CCOCC1 ZINC000064984320 221161834 /nfs/dbraw/zinc/16/18/34/221161834.db2.gz BGQOZNBREWSIPY-LJQANCHMSA-N 1 0 371.481 3.161 10 0 FGAERO CCn1cc(CC[NH+]2CCC(C(=O)NC3CCCC3)CC2)c2cccnc21 ZINC000065165022 221173714 /nfs/dbraw/zinc/17/37/14/221173714.db2.gz FBWDIJFKLHBXSD-UHFFFAOYSA-N 1 0 368.525 3.370 10 0 FGAERO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(C(=O)c2cccc(Cl)n2)C1 ZINC000190543985 257368797 /nfs/dbraw/zinc/36/87/97/257368797.db2.gz VFZLGYFLSQJSDG-CYBMUJFWSA-N 1 0 364.902 3.094 10 0 FGAERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)COc2ccccc2Cl)C1 ZINC000190584957 257369237 /nfs/dbraw/zinc/36/92/37/257369237.db2.gz SZHYEKBWTYCYBE-KRWDZBQOSA-N 1 0 373.884 3.094 10 0 FGAERO CC(=O)N[C@]1(c2nc(C)cs2)CC[N@@H+](Cc2ccc([C@@H]3C[C@H]3C)o2)C1 ZINC000579548509 505573006 /nfs/dbraw/zinc/57/30/06/505573006.db2.gz NNBYWLLPVNXVHQ-SMNXXWJPSA-N 1 0 359.495 3.405 10 0 FGAERO CC[N@@H+]1CCC[C@H](NC(=O)Cc2csc(Cc3ccc(F)cc3)n2)C1 ZINC000068542368 493837069 /nfs/dbraw/zinc/83/70/69/493837069.db2.gz ZRJHKLFSNAYATC-INIZCTEOSA-N 1 0 361.486 3.016 10 0 FGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N[C@@H](C)c1cc(OC)c(OC)cc1C ZINC000049132314 493862392 /nfs/dbraw/zinc/86/23/92/493862392.db2.gz DLXMGXAAUSCFGR-GJZGRUSLSA-N 1 0 351.491 3.103 10 0 FGAERO C[C@H](NC(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1cccc2ccccc21 ZINC000049172925 493864380 /nfs/dbraw/zinc/86/43/80/493864380.db2.gz CJHUHGXCTGIAQO-FUHWJXTLSA-N 1 0 355.482 3.047 10 0 FGAERO C[C@](O)(C[N@@H+]1CCCN(C(=O)CCc2ccccc2)CC1)c1ccccc1 ZINC000083243763 494012996 /nfs/dbraw/zinc/01/29/96/494012996.db2.gz BIWWZOYBZZXAMY-QHCPKHFHSA-N 1 0 366.505 3.061 10 0 FGAERO COc1ccc(OCCCC(=O)N[C@H](C[NH+](C)C)c2ccccc2)cc1 ZINC000052556260 494039533 /nfs/dbraw/zinc/03/95/33/494039533.db2.gz JNPKZNAJMPSZRW-HXUWFJFHSA-N 1 0 356.466 3.273 10 0 FGAERO CCN(CC)c1ccc([C@H](C[NH3+])S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000008037999 494063109 /nfs/dbraw/zinc/06/31/09/494063109.db2.gz OLLARJQXAJIYSS-SFHVURJKSA-N 1 0 350.459 3.146 10 0 FGAERO COC[C@H](C)[NH2+]Cc1cc(Br)cc(Br)c1OC ZINC000034991599 494071748 /nfs/dbraw/zinc/07/17/48/494071748.db2.gz YXKFQSQJZIUJCY-QMMMGPOBSA-N 1 0 367.081 3.345 10 0 FGAERO COc1ccc([C@H]([NH3+])c2ccc(I)cc2)cc1OC ZINC000034957798 494071939 /nfs/dbraw/zinc/07/19/39/494071939.db2.gz PHKHSEAXDTYVHP-OAHLLOKOSA-N 1 0 369.202 3.357 10 0 FGAERO COc1cc2c(cc1OC)[C@@H](Cc1cc(OC)c(OC)c(OC)c1)[NH2+]CC2 ZINC000038622442 494115802 /nfs/dbraw/zinc/11/58/02/494115802.db2.gz IYDXQGNUXUOZOC-MRXNPFEDSA-N 1 0 373.449 3.159 10 0 FGAERO CC[NH+](CC)[C@H](CNC(=O)[C@H](C)NC(=O)Nc1ccccc1)CC(C)C ZINC000042545755 494226567 /nfs/dbraw/zinc/22/65/67/494226567.db2.gz MQYOTPCDQSMRMO-WMZOPIPTSA-N 1 0 362.518 3.069 10 0 FGAERO Cc1ccccc1[C@H](C)NC(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000042801188 494245168 /nfs/dbraw/zinc/24/51/68/494245168.db2.gz RWKZSPHKDZJJCV-KRWDZBQOSA-N 1 0 355.482 3.496 10 0 FGAERO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2COc3ccccc32)c(OC)c1 ZINC000089517239 494320173 /nfs/dbraw/zinc/32/01/73/494320173.db2.gz MPMQOGZKUBAFIM-GUYCJALGSA-N 1 0 356.422 3.144 10 0 FGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@@H](C)c1nc(-c2ccccc2)no1 ZINC000089697853 494344892 /nfs/dbraw/zinc/34/48/92/494344892.db2.gz FTORSYQPJAXACR-NVXWUHKLSA-N 1 0 373.501 3.116 10 0 FGAERO Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CCCN(c3cccnn3)C2)c1C ZINC000089732488 494350402 /nfs/dbraw/zinc/35/04/02/494350402.db2.gz NMPQDPZLKAUMHK-AEFFLSMTSA-N 1 0 367.497 3.069 10 0 FGAERO COc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NCc2ccc(F)cc2)cc1OC ZINC000079306505 494434387 /nfs/dbraw/zinc/43/43/87/494434387.db2.gz LBZCYCZMSGJKOE-KGLIPLIRSA-N 1 0 360.429 3.198 10 0 FGAERO O=S(=O)(NCC[NH2+][C@@H]1CCC[C@H]1c1ccc(F)cc1)c1cccs1 ZINC000090604721 494486664 /nfs/dbraw/zinc/48/66/64/494486664.db2.gz CCFPVAOVWOUACQ-JKSUJKDBSA-N 1 0 368.499 3.091 10 0 FGAERO CCN1CCC[C@H]([NH2+]Cc2ccc(OCc3c(C)noc3C)c(OC)c2)C1 ZINC000067220029 494495146 /nfs/dbraw/zinc/49/51/46/494495146.db2.gz JYAHCZZHCQJXLJ-SFHVURJKSA-N 1 0 373.497 3.453 10 0 FGAERO CC(C)CC[NH+]1CCC(CNC(=O)[C@@H](C)NC(=O)Nc2ccccc2)CC1 ZINC000079655934 494502403 /nfs/dbraw/zinc/50/24/03/494502403.db2.gz LVILHASHSXGKAI-QGZVFWFLSA-N 1 0 374.529 3.071 10 0 FGAERO CC(C)CC[NH+]1CCC(CNC(=O)[C@H](C)NC(=O)Nc2ccccc2)CC1 ZINC000079655936 494502484 /nfs/dbraw/zinc/50/24/84/494502484.db2.gz LVILHASHSXGKAI-KRWDZBQOSA-N 1 0 374.529 3.071 10 0 FGAERO Cc1cc(N2CC[NH+]([C@H](C)c3ccc4ccccc4c3)CC2)n2ncnc2n1 ZINC000079879090 494542167 /nfs/dbraw/zinc/54/21/67/494542167.db2.gz YDEYJDXAUUCJEO-QGZVFWFLSA-N 1 0 372.476 3.469 10 0 FGAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)C1 ZINC000056740642 494554930 /nfs/dbraw/zinc/55/49/30/494554930.db2.gz XMDJGGMSLLEURE-IBGZPJMESA-N 1 0 372.513 3.355 10 0 FGAERO C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)c1cc2cc(Br)ccc2o1 ZINC000091667175 494639374 /nfs/dbraw/zinc/63/93/74/494639374.db2.gz JRMJIHRGSWHIEX-BXUZGUMPSA-N 1 0 353.260 3.177 10 0 FGAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCc1csc(-c2ccco2)n1 ZINC000131658436 494689006 /nfs/dbraw/zinc/68/90/06/494689006.db2.gz IKMHEXSJUODSAH-MRXNPFEDSA-N 1 0 355.463 3.192 10 0 FGAERO COc1ccnc(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccc(F)cc2)C3)c1 ZINC000091943889 494729196 /nfs/dbraw/zinc/72/91/96/494729196.db2.gz QTVGYUZCLJVLOQ-FXAWDEMLSA-N 1 0 355.457 3.326 10 0 FGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000108552313 494738109 /nfs/dbraw/zinc/73/81/09/494738109.db2.gz LYAZZOGAVOOBFI-KXBFYZLASA-N 1 0 365.493 3.011 10 0 FGAERO CCc1noc([C@@H](C)N2CCN(Cc3cnc(CC(C)C)s3)CC2)n1 ZINC000121424422 494749659 /nfs/dbraw/zinc/74/96/59/494749659.db2.gz CSUHRYZQQNMDLR-CQSZACIVSA-N 1 0 363.531 3.166 10 0 FGAERO C[C@H](NC(=O)NCC[N@@H+]1CCCC[C@H]1C)c1cccc(-n2ccnc2)c1 ZINC000080634751 494752120 /nfs/dbraw/zinc/75/21/20/494752120.db2.gz YRULHFXABSFUIE-SJORKVTESA-N 1 0 355.486 3.107 10 0 FGAERO COCCOc1ccccc1C[N@@H+]1CC[C@@H](CNc2cccc(C)n2)C1 ZINC000092813315 494759295 /nfs/dbraw/zinc/75/92/95/494759295.db2.gz SQPJFOCUCPAVGT-SFHVURJKSA-N 1 0 355.482 3.349 10 0 FGAERO COc1c(CN2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c(C)nn1C ZINC000092043798 494768101 /nfs/dbraw/zinc/76/81/01/494768101.db2.gz JSKHRWIMIOVLDP-CTNGQTDRSA-N 1 0 368.525 3.224 10 0 FGAERO CCc1oc(C(=O)OC)cc1CN1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000121515213 494788201 /nfs/dbraw/zinc/78/82/01/494788201.db2.gz YJGNSABJQBUKJW-CZUORRHYSA-N 1 0 365.376 3.215 10 0 FGAERO C[NH+]1CCN(Cc2ccc(C(=O)N3CCC[C@@H]3c3ccco3)cc2)CC1 ZINC000116453376 494790045 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Cc1ccc(C(=O)N2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)cc1Br ZINC000093220763 494845923 /nfs/dbraw/zinc/84/59/23/494845923.db2.gz DFQQEMRRQBNKSQ-ZFWWWQNUSA-N 1 0 351.288 3.456 10 0 FGAERO COc1ccc2oc(C[NH+]3CCC(N(C)c4cccnn4)CC3)cc2c1 ZINC000093272783 494854552 /nfs/dbraw/zinc/85/45/52/494854552.db2.gz HJHVNDOUZLCZBN-UHFFFAOYSA-N 1 0 352.438 3.332 10 0 FGAERO Cc1ccc(OC2CC[NH+](C[C@@H](O)COCc3ccccc3)CC2)cc1 ZINC000116994218 494880488 /nfs/dbraw/zinc/88/04/88/494880488.db2.gz BSAJAHWAIJNVLC-HXUWFJFHSA-N 1 0 355.478 3.416 10 0 FGAERO C[C@H](CNC(=O)N1CCO[C@H](C[NH+](C)C)C1)c1c(Cl)cccc1Cl ZINC000117043181 494886790 /nfs/dbraw/zinc/88/67/90/494886790.db2.gz NWOUDQGIOWDZFU-CHWSQXEVSA-N 1 0 374.312 3.069 10 0 FGAERO Cc1cnn([C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000109688357 494908377 /nfs/dbraw/zinc/90/83/77/494908377.db2.gz QUIXDAVYJYYFIM-UXHICEINSA-N 1 0 352.482 3.020 10 0 FGAERO CC(=O)N[C@H]1CCC[N@H+](CC/C=C/c2ccc(Br)cc2)C1 ZINC000117335804 494912326 /nfs/dbraw/zinc/91/23/26/494912326.db2.gz KKCGJWPDUOZQLK-RTZWDOBSSA-N 1 0 351.288 3.453 10 0 FGAERO CCC[C@H](C(=O)Nc1ccc(C(=O)NCC(C)C)c(Cl)c1)[NH+](C)C ZINC000094031935 494941460 /nfs/dbraw/zinc/94/14/60/494941460.db2.gz VWQLIOQHWBSRHG-MRXNPFEDSA-N 1 0 353.894 3.395 10 0 FGAERO O=C1[C@@H]([NH+]2CCC(Cn3cccn3)CC2)CCN1c1ccc(Cl)cc1 ZINC000132977285 494951237 /nfs/dbraw/zinc/95/12/37/494951237.db2.gz HGCMGTKVALCNMX-SFHVURJKSA-N 1 0 358.873 3.054 10 0 FGAERO C[C@H](CN1CCO[C@H](Cn2cccn2)C1)c1cccc(Br)c1 ZINC000122310613 494955723 /nfs/dbraw/zinc/95/57/23/494955723.db2.gz VVSDTYFLTRTUBT-PBHICJAKSA-N 1 0 364.287 3.150 10 0 FGAERO CC(C)(C)OC(=O)N1CC[C@H](C[NH2+]Cc2ccc(Br)nc2)C1 ZINC000095083964 494958689 /nfs/dbraw/zinc/95/86/89/494958689.db2.gz RJYNBLYQMDSUDS-CYBMUJFWSA-N 1 0 370.291 3.191 10 0 FGAERO CC(C)(C)OC(=O)N1CC[C@@H](C[NH2+]Cc2ccnc(Br)c2)C1 ZINC000095083975 494958707 /nfs/dbraw/zinc/95/87/07/494958707.db2.gz LYUFJCQEJKYYIK-ZDUSSCGKSA-N 1 0 370.291 3.191 10 0 FGAERO CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(Br)nc1 ZINC000095085788 494959471 /nfs/dbraw/zinc/95/94/71/494959471.db2.gz BRODJXCCAUUWQT-ZDUSSCGKSA-N 1 0 370.291 3.333 10 0 FGAERO C[C@@H]1C[C@H](N(C)C(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)CC[N@@H+]1C ZINC000122597222 495001436 /nfs/dbraw/zinc/00/14/36/495001436.db2.gz MPEOFGJZDVAZGD-BMFZPTHFSA-N 1 0 357.420 3.284 10 0 FGAERO C[NH+](C)C[C@H](NC(=O)NC[C@@H]1CCCO[C@H]1C(C)(C)C)c1ccccc1 ZINC000118566173 495011304 /nfs/dbraw/zinc/01/13/04/495011304.db2.gz YATLJKGGOBAMML-GBESFXJTSA-N 1 0 361.530 3.430 10 0 FGAERO Cc1cccc(N2CC[NH+](CC[C@H](C)Nc3nc(C)cc(C)n3)CC2)c1 ZINC000097286655 495031038 /nfs/dbraw/zinc/03/10/38/495031038.db2.gz DIEOXKRBUBXNRB-KRWDZBQOSA-N 1 0 353.514 3.415 10 0 FGAERO [NH3+][C@@]1(CCO)c2cc(Br)ccc2Oc2cnc(Cl)cc21 ZINC000118746107 495031544 /nfs/dbraw/zinc/03/15/44/495031544.db2.gz LNSJTZWILNRNQS-AWEZNQCLSA-N 1 0 355.619 3.188 10 0 FGAERO [NH3+][C@]1(CCO)c2cc(Br)ccc2Oc2cnc(Cl)cc21 ZINC000118746104 495031645 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495779682 /nfs/dbraw/zinc/77/96/82/495779682.db2.gz DBBSXISLXZFWNP-ZWKOTPCHSA-N 1 0 368.525 3.226 10 0 FGAERO Cn1cc(C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)c(-c2cccs2)n1 ZINC000179987386 495810691 /nfs/dbraw/zinc/81/06/91/495810691.db2.gz VQYLZBSTJIPNEH-HNNXBMFYSA-N 1 0 353.495 3.478 10 0 FGAERO Cn1cc(C[NH+]2CCC(Nc3cccnn3)CC2)c(C2CCCCC2)n1 ZINC000183054069 495815368 /nfs/dbraw/zinc/81/53/68/495815368.db2.gz JHVBXLZZTNBGIZ-UHFFFAOYSA-N 1 0 354.502 3.334 10 0 FGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cc(Cl)c(C)c(Cl)c1 ZINC000176906530 495835678 /nfs/dbraw/zinc/83/56/78/495835678.db2.gz OYYGUXCAXIRXMY-CYBMUJFWSA-N 1 0 372.296 3.183 10 0 FGAERO CC[C@H]1CN(C(=O)CC2CCC(C(F)(F)F)CC2)CC[N@@H+]1CCOC ZINC000183125479 495844498 /nfs/dbraw/zinc/84/44/98/495844498.db2.gz ZXRPJPQZAUMQNJ-GPANFISMSA-N 1 0 364.452 3.314 10 0 FGAERO C[C@H]([NH2+]CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1)[C@@H]1CCCO1 ZINC000183145002 495852711 /nfs/dbraw/zinc/85/27/11/495852711.db2.gz CQHSUKQXNNBLCT-BBRMVZONSA-N 1 0 373.478 3.096 10 0 FGAERO CCCOc1cn(-c2ccccc2)nc1C(=O)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000176971483 495863156 /nfs/dbraw/zinc/86/31/56/495863156.db2.gz GEQWPFJMUCKJAR-SFHVURJKSA-N 1 0 370.497 3.217 10 0 FGAERO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H]2Cn2ccnc2C)cc1 ZINC000180132842 495873155 /nfs/dbraw/zinc/87/31/55/495873155.db2.gz HTMCTNNMZDYUCR-GOSISDBHSA-N 1 0 351.454 3.255 10 0 FGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1nc(C(C)C)n(-c2ccccc2F)n1 ZINC000176993613 495875472 /nfs/dbraw/zinc/87/54/72/495875472.db2.gz RXVLWIWEHSOTSN-OAHLLOKOSA-N 1 0 373.476 3.086 10 0 FGAERO CCSc1ccc([C@H](C)NC(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000171441622 495875839 /nfs/dbraw/zinc/87/58/39/495875839.db2.gz NGBWSWJQQKTSPB-RDJZCZTQSA-N 1 0 365.543 3.006 10 0 FGAERO CCCCOc1ccc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)c(Cl)c1 ZINC000186183950 495887939 /nfs/dbraw/zinc/88/79/39/495887939.db2.gz TWMMXZVICDPFHY-HNNXBMFYSA-N 1 0 368.905 3.096 10 0 FGAERO CCCN(CCC)C(=O)c1cccc(C(=O)N[C@@H]2CCC[N@H+](CC)C2)c1 ZINC000171479434 495894479 /nfs/dbraw/zinc/89/44/79/495894479.db2.gz ODFGGWDPKVUXOH-LJQANCHMSA-N 1 0 359.514 3.163 10 0 FGAERO C[NH+](C)Cc1cccc(NC(=O)C(=O)N[C@@H]2CCCc3cc(F)ccc32)c1 ZINC000155268562 495897967 /nfs/dbraw/zinc/89/79/67/495897967.db2.gz AUUBXDDJTRGNIN-LJQANCHMSA-N 1 0 369.440 3.020 10 0 FGAERO COc1ccc(-c2nc(C[N@@H+]3CCC[C@H](Cn4cncn4)C3)cs2)cc1 ZINC000171504669 495902704 /nfs/dbraw/zinc/90/27/04/495902704.db2.gz HMRUJPLTBKDENI-HNNXBMFYSA-N 1 0 369.494 3.322 10 0 FGAERO CCO[C@H]1C[C@H]([NH2+]Cc2ccnc(OCC(F)(F)F)c2)C12CCOCC2 ZINC000186244696 495911763 /nfs/dbraw/zinc/91/17/63/495911763.db2.gz OZNCQKRXQBIHPJ-GJZGRUSLSA-N 1 0 374.403 3.087 10 0 FGAERO CC[C@H](CCO)C[NH2+][C@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186244083 495911937 /nfs/dbraw/zinc/91/19/37/495911937.db2.gz ZMUOVTMBIQVFSG-CXAGYDPISA-N 1 0 364.287 3.327 10 0 FGAERO Cc1ccc([C@@H](C[NH2+][C@H](C)c2cccc(CO)c2)N2CCOCC2)s1 ZINC000183293517 495918362 /nfs/dbraw/zinc/91/83/62/495918362.db2.gz RYZUPRGJZWYWKY-VQIMIIECSA-N 1 0 360.523 3.273 10 0 FGAERO C[NH+](C)CCCOC1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000177103569 495928281 /nfs/dbraw/zinc/92/82/81/495928281.db2.gz BDKMOJGVXSSPHL-SJORKVTESA-N 1 0 366.452 3.028 10 0 FGAERO CCCCNC(=O)c1ccc(C[NH2+][C@@H]2C[C@H](OCC)C23CCOCC3)cc1 ZINC000186285772 495928556 /nfs/dbraw/zinc/92/85/56/495928556.db2.gz VJRYNRRPHXXOJF-UXHICEINSA-N 1 0 374.525 3.280 10 0 FGAERO C[C@H](NC(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1)c1cccs1 ZINC000171587339 495938530 /nfs/dbraw/zinc/93/85/30/495938530.db2.gz BDNPNIPHKFHUNK-ZACQAIPSSA-N 1 0 364.559 3.009 10 0 FGAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)Cc2ccc(OC)c(OC)c2)C12CCOCC2 ZINC000186328244 495950467 /nfs/dbraw/zinc/95/04/67/495950467.db2.gz LDFPTHYGIZWWRU-CWFSZBLJSA-N 1 0 363.498 3.199 10 0 FGAERO CC/C(=C\C(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1)c1ccc(OC)cc1 ZINC000180355979 495964278 /nfs/dbraw/zinc/96/42/78/495964278.db2.gz BZQLUJGGSFEYQQ-GMYFBSLISA-N 1 0 374.525 3.040 10 0 FGAERO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](CNc3ccccn3)C2)cc1F ZINC000171644267 495964863 /nfs/dbraw/zinc/96/48/63/495964863.db2.gz XZRMMMVLTOXGNJ-HZPDHXFCSA-N 1 0 356.445 3.290 10 0 FGAERO CCc1c(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cnn1-c1ccccc1C ZINC000186374309 495971224 /nfs/dbraw/zinc/97/12/24/495971224.db2.gz AILDUECTHRDVKQ-FUHWJXTLSA-N 1 0 354.498 3.202 10 0 FGAERO COc1ccc([C@@H](C)CCNC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)cc1 ZINC000151877162 495978278 /nfs/dbraw/zinc/97/82/78/495978278.db2.gz QKZMHJAPUFQVOP-LAUBAEHRSA-N 1 0 354.494 3.478 10 0 FGAERO CCc1nccn1[C@H]1CCCN(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000151885156 495981512 /nfs/dbraw/zinc/98/15/12/495981512.db2.gz FFOLXWYZCOPIKG-OALUTQOASA-N 1 0 369.513 3.095 10 0 FGAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](c2ccccc2)C(C)(C)CO)C12CCOCC2 ZINC000186427391 495993296 /nfs/dbraw/zinc/99/32/96/495993296.db2.gz PGMRWGJKQPDWCZ-XUVXKRRUSA-N 1 0 361.526 3.353 10 0 FGAERO O=C(Nc1ccccc1)c1ccc(C[N@@H+]2CCC[C@H](n3cncn3)C2)cc1 ZINC000171701551 495994228 /nfs/dbraw/zinc/99/42/28/495994228.db2.gz ATAXZRJSSKUHSH-FQEVSTJZSA-N 1 0 361.449 3.368 10 0 FGAERO O=C(CC[N@@H+]1CCC[C@@H](n2cncn2)C1)Nc1cc(Cl)ccc1Cl ZINC000171701862 495995742 /nfs/dbraw/zinc/99/57/42/495995742.db2.gz OFBRJXAAGFTDDO-CYBMUJFWSA-N 1 0 368.268 3.251 10 0 FGAERO Cc1c(Cl)c(C[N@H+]2C[C@@H](C)[C@H](N3CCOCC3)C2)nc2ccccc12 ZINC000177256760 495997300 /nfs/dbraw/zinc/99/73/00/495997300.db2.gz ACOJLGIINLZDSA-AUUYWEPGSA-N 1 0 359.901 3.349 10 0 FGAERO CN1CCO[C@@H](C[NH2+][C@@H]2CCCc3nc(-c4ccccc4F)sc32)C1 ZINC000180490108 496018189 /nfs/dbraw/zinc/01/81/89/496018189.db2.gz VGFZCRNYUIYYBE-XJKSGUPXSA-N 1 0 361.486 3.247 10 0 FGAERO Cc1ccc(-c2nc3c(s2)[C@H]([NH2+]C[C@H]2CN(C)CCO2)CCC3)cc1 ZINC000180497089 496021131 /nfs/dbraw/zinc/02/11/31/496021131.db2.gz SCBXMYVIWAJXFS-DLBZAZTESA-N 1 0 357.523 3.416 10 0 FGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1ccc(Br)s1 ZINC000177332227 496022442 /nfs/dbraw/zinc/02/24/42/496022442.db2.gz LMXUWAWXFXOLCN-LLVKDONJSA-N 1 0 360.321 3.136 10 0 FGAERO O=C(N1CC[N@@H+]2CCC[C@@H]2C1)C1(c2ccc(Br)cc2)CCC1 ZINC000171756803 496022701 /nfs/dbraw/zinc/02/27/01/496022701.db2.gz VEGCZJSVQYMMQY-MRXNPFEDSA-N 1 0 363.299 3.177 10 0 FGAERO O=C(CCSc1ccc(Br)cc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171757006 496023442 /nfs/dbraw/zinc/02/34/42/496023442.db2.gz NGQRWFOKYGLKDM-AWEZNQCLSA-N 1 0 369.328 3.238 10 0 FGAERO CC(C)c1nc([C@H]2CCCN2C(=O)NC[C@H](c2ccccc2)[NH+](C)C)no1 ZINC000177344726 496025783 /nfs/dbraw/zinc/02/57/83/496025783.db2.gz HEHRTRJNSPIBNK-IAGOWNOFSA-N 1 0 371.485 3.342 10 0 FGAERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@H](C)c1ccc3c(c1)OCCCO3)CC2 ZINC000180511221 496027222 /nfs/dbraw/zinc/02/72/22/496027222.db2.gz AQDJKNRUMGCGJU-ZBFHGGJFSA-N 1 0 356.470 3.228 10 0 FGAERO C[C@H](CC[NH2+][C@H](C)c1ccc([S@](C)=O)cc1)NC(=O)OC(C)(C)C ZINC000180521695 496031127 /nfs/dbraw/zinc/03/11/27/496031127.db2.gz OIUIFGAEJDXAEZ-ICBMNTSNSA-N 1 0 354.516 3.378 10 0 FGAERO CCC[C@@H](C(=O)NCc1cc2cc(Br)ccc2[nH]1)[NH+](C)C ZINC000186527968 496031350 /nfs/dbraw/zinc/03/13/50/496031350.db2.gz YRNOOYCCAKRTQC-HNNXBMFYSA-N 1 0 352.276 3.277 10 0 FGAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2cncc(-c3ccc(N(C)C)cc3)c2)C1 ZINC000155675891 496032324 /nfs/dbraw/zinc/03/23/24/496032324.db2.gz FENSILIHPMFGKY-LJQANCHMSA-N 1 0 352.482 3.029 10 0 FGAERO CC[C@H]1CN(C(=O)c2ccc(-c3ccsc3)nc2C)CC[N@@H+]1C[C@@H](C)O ZINC000174624391 496037061 /nfs/dbraw/zinc/03/70/61/496037061.db2.gz JDMRTDZFAIMGHI-PBHICJAKSA-N 1 0 373.522 3.036 10 0 FGAERO O=C(NC[C@H](O)C[NH+]1CCCCC1)N[C@@H](CC1CCC1)c1ccccc1 ZINC000183619394 496051351 /nfs/dbraw/zinc/05/13/51/496051351.db2.gz ZVADAWHQHDMPFW-PMACEKPBSA-N 1 0 359.514 3.064 10 0 FGAERO Clc1ccc2c(c1Cl)OCCC[C@H]2[NH2+][C@H]1CCc2ncnn2C1 ZINC000180603178 496063794 /nfs/dbraw/zinc/06/37/94/496063794.db2.gz UVPRSZZFDZAULR-GXFFZTMASA-N 1 0 353.253 3.403 10 0 FGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(Br)s1)CC2 ZINC000180608880 496066865 /nfs/dbraw/zinc/06/68/65/496066865.db2.gz GKNCKDJHSRXWME-VHSXEESVSA-N 1 0 355.305 3.330 10 0 FGAERO CSc1ccccc1C[C@@H](C)[NH2+][C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000183662915 496067956 /nfs/dbraw/zinc/06/79/56/496067956.db2.gz PVMMGZKSXGLBPA-RHSMWYFYSA-N 1 0 372.538 3.167 10 0 FGAERO CN(CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)C(=O)[C@@H]1CC=CCC1 ZINC000177463079 496071371 /nfs/dbraw/zinc/07/13/71/496071371.db2.gz QERIHHBXHNSZBG-RTWAWAEBSA-N 1 0 356.510 3.247 10 0 FGAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(OC(F)F)c(OC)c1)CC2 ZINC000180622936 496073772 /nfs/dbraw/zinc/07/37/72/496073772.db2.gz OUKMFWMPJZVJNK-YPMHNXCESA-N 1 0 366.412 3.116 10 0 FGAERO O=C(NCc1ccc(Br)cc1Cl)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171904938 496085573 /nfs/dbraw/zinc/08/55/73/496085573.db2.gz DRTYFWRQIKOMSV-CYBMUJFWSA-N 1 0 372.694 3.092 10 0 FGAERO COc1cc(C)c([C@H](C)[NH2+][C@H]2CCc3nc(C(C)C)nn3C2)cc1OC ZINC000180652538 496088783 /nfs/dbraw/zinc/08/87/83/496088783.db2.gz MTAJIRBHPVSWJO-GJZGRUSLSA-N 1 0 358.486 3.393 10 0 FGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000177518111 496094954 /nfs/dbraw/zinc/09/49/54/496094954.db2.gz RIJFZQBAXAMQDA-QZTJIDSGSA-N 1 0 356.470 3.126 10 0 FGAERO Cn1cc(C[NH2+][C@@H]2CCCN(c3cccnn3)C2)c(C2CCCCC2)n1 ZINC000183737743 496099033 /nfs/dbraw/zinc/09/90/33/496099033.db2.gz XTLHEYLFRPUWFP-GOSISDBHSA-N 1 0 354.502 3.016 10 0 FGAERO Fc1ccc([C@@H]([NH2+][C@@H]2CCCN(c3cccnn3)C2)c2ccccc2)nc1 ZINC000183770981 496110871 /nfs/dbraw/zinc/11/08/71/496110871.db2.gz MUMHNWLOLMYZNG-NQIIRXRSSA-N 1 0 363.440 3.359 10 0 FGAERO CC[NH+]1CCC(CCNC(=O)N2CCC[C@@H]2c2noc(C(C)C)n2)CC1 ZINC000177564934 496114745 /nfs/dbraw/zinc/11/47/45/496114745.db2.gz OHOFTDVUCBZCTE-MRXNPFEDSA-N 1 0 363.506 3.162 10 0 FGAERO O=C(CC1=CCCCC1)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000174855598 496135384 /nfs/dbraw/zinc/13/53/84/496135384.db2.gz XWGCELFZRFMGDR-OAQYLSRUSA-N 1 0 356.510 3.439 10 0 FGAERO C[C@@H](NC(=O)Nc1ccccc1)C(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000186812057 496163109 /nfs/dbraw/zinc/16/31/09/496163109.db2.gz AKAGUARUPWFGGT-QGZVFWFLSA-N 1 0 374.529 3.358 10 0 FGAERO O=C(CCc1cccs1)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000172107967 496167531 /nfs/dbraw/zinc/16/75/31/496167531.db2.gz IXXPROZKBXHSOX-HXUWFJFHSA-N 1 0 372.534 3.243 10 0 FGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCCc1nnc(-c2ccccc2)o1 ZINC000174977799 496191155 /nfs/dbraw/zinc/19/11/55/496191155.db2.gz MCFCHBVRFYLEGF-ZWKOTPCHSA-N 1 0 368.481 3.145 10 0 FGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc(NC(=O)c2ccco2)c1 ZINC000174998807 496201419 /nfs/dbraw/zinc/20/14/19/496201419.db2.gz UXGSWHSLTMCXKE-QZTJIDSGSA-N 1 0 367.449 3.231 10 0 FGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(Br)ccc1F ZINC000175009696 496205800 /nfs/dbraw/zinc/20/58/00/496205800.db2.gz UATBXAPWYRLDSR-QWHCGFSZSA-N 1 0 355.251 3.287 10 0 FGAERO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)c2cccc(Br)c2)C1 ZINC000177850568 496223290 /nfs/dbraw/zinc/22/32/90/496223290.db2.gz GUUCROXVDGYTAR-KBPBESRZSA-N 1 0 368.319 3.493 10 0 FGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1ccc(CN(C)C(=O)C(C)C)cc1 ZINC000161782829 496237215 /nfs/dbraw/zinc/23/72/15/496237215.db2.gz NMIYUGOHKMUOPP-LJQANCHMSA-N 1 0 361.530 3.007 10 0 FGAERO COc1cccc(CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1OC1CCCC1 ZINC000172272799 496238384 /nfs/dbraw/zinc/23/83/84/496238384.db2.gz CUWZVZWFIAJFDP-QGZVFWFLSA-N 1 0 373.497 3.006 10 0 FGAERO [NH3+]CCCOC1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000162188545 496310234 /nfs/dbraw/zinc/31/02/34/496310234.db2.gz PQDPZPUPFAWWQA-CABCVRRESA-N 1 0 371.308 3.453 10 0 FGAERO C[C@H](COCc1ccccc1)[NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000178064765 496311977 /nfs/dbraw/zinc/31/19/77/496311977.db2.gz FGJDXXWKTCMQTE-HUUCEWRRSA-N 1 0 365.470 3.485 10 0 FGAERO CCSc1cccc(NC(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000181209682 496313055 /nfs/dbraw/zinc/31/30/55/496313055.db2.gz IRCBHORUJIVVLG-OAHLLOKOSA-N 1 0 365.543 3.355 10 0 FGAERO COC(=O)C[C@H](NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccccc1 ZINC000178089696 496324907 /nfs/dbraw/zinc/32/49/07/496324907.db2.gz CPNRCDFEYWRICH-MJGOQNOKSA-N 1 0 358.482 3.062 10 0 FGAERO CC(C)Cc1ccc([C@@H](C)C(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)cc1 ZINC000184303451 496328078 /nfs/dbraw/zinc/32/80/78/496328078.db2.gz BOFUHVIYSSXAAX-RBUKOAKNSA-N 1 0 359.558 3.131 10 0 FGAERO CC(C)[C@@H](C)NC(=O)N(C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000175297254 496328471 /nfs/dbraw/zinc/32/84/71/496328471.db2.gz YHWHDFMQLQMODS-XLIONFOSSA-N 1 0 361.530 3.118 10 0 FGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2ccc(Br)s2)C1 ZINC000156784612 496333416 /nfs/dbraw/zinc/33/34/16/496333416.db2.gz KGUCQGXKUPHLOM-PWSUYJOCSA-N 1 0 360.321 3.039 10 0 FGAERO CCC[C@H](C(=O)N(CC)CC(=O)Nc1ccccc1C(F)(F)F)[NH+](C)C ZINC000156819932 496340719 /nfs/dbraw/zinc/34/07/19/496340719.db2.gz AMOFIBATJIYTNT-OAHLLOKOSA-N 1 0 373.419 3.223 10 0 FGAERO Cc1ccc2c(c1)[C@H](NC(=O)NC1CC[NH+](C[C@@H]3CCOC3)CC1)[C@H](C)C2 ZINC000181295125 496343939 /nfs/dbraw/zinc/34/39/39/496343939.db2.gz PRAMMHUEJPLECR-LLGFUMIMSA-N 1 0 371.525 3.028 10 0 FGAERO CCCOc1cc(C)ccc1NC(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](CC)C1 ZINC000175345341 496349111 /nfs/dbraw/zinc/34/91/11/496349111.db2.gz ZXLGTABSNNDIKX-SJORKVTESA-N 1 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Cc1ccnc(N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1Br ZINC000630529193 716470895 /nfs/dbraw/zinc/47/08/95/716470895.db2.gz RBICGHZTIKETSA-NXEZZACHSA-N 1 0 352.198 3.116 10 0 FGAERO CN(C(=O)c1cc(Cl)ccc1Br)[C@@H](C[NH3+])C(F)(F)F ZINC000662980041 720468712 /nfs/dbraw/zinc/46/87/12/720468712.db2.gz YKNJXEPWFSUJKX-VIFPVBQESA-N 1 0 359.573 3.064 10 0 FGAERO Cc1cc(C[N@@H+](C)C2CCN(C)CC2)c(C)cc1I ZINC000675075440 721726747 /nfs/dbraw/zinc/72/67/47/721726747.db2.gz PCNHQSCRULGJQM-UHFFFAOYSA-N 1 0 372.294 3.434 10 0 FGAERO C[C@H]([NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)c1cccc(Cl)c1 ZINC000705765385 722412026 /nfs/dbraw/zinc/41/20/26/722412026.db2.gz QQOFSBINMQUVSD-JGGQBBKZSA-N 1 0 354.878 3.218 10 0 FGAERO [NH3+][C@@H]1CN(c2ncc(Cl)cc2Br)CC[C@H]1C(F)(F)F ZINC000716985000 722417205 /nfs/dbraw/zinc/41/72/05/722417205.db2.gz IEAOFZCPJWGZAH-VXNVDRBHSA-N 1 0 358.589 3.213 10 0 FGAERO CC(C)Cn1nc(C(=O)N(C)C)c2c1CC[C@@H]([N@H+](C)Cc1cccs1)C2 ZINC000014541179 220126262 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FNJSIHREJKFJEC-SNVBAGLBSA-N 1 0 359.318 3.159 10 0 FGAERO C[C@H](NC(=O)NCC1([NH+]2CCSCC2)CCCC1)c1cccs1 ZINC000047978075 493767988 /nfs/dbraw/zinc/76/79/88/493767988.db2.gz UPJDGYIPPYKCLG-AWEZNQCLSA-N 1 0 353.557 3.470 10 0 FGAERO CC(=O)N[C@@H]1CCC[N@H+](CCCCOc2ccccc2C(F)(F)F)C1 ZINC000068481167 493828176 /nfs/dbraw/zinc/82/81/76/493828176.db2.gz KCPCPZXBTYZFOT-OAHLLOKOSA-N 1 0 358.404 3.465 10 0 FGAERO C[C@@H](NC(=O)NC[C@H](O)C[NH+]1CCCCC1)c1cccc2ccccc21 ZINC000049172923 493864122 /nfs/dbraw/zinc/86/41/22/493864122.db2.gz CJHUHGXCTGIAQO-AEFFLSMTSA-N 1 0 355.482 3.047 10 0 FGAERO C[C@H](NC(=O)NCCCC[NH+]1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000049788086 493884457 /nfs/dbraw/zinc/88/44/57/493884457.db2.gz APLGUIAKOOLWBL-ZDUSSCGKSA-N 1 0 374.312 3.466 10 0 FGAERO CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@@H]1CCCC[C@H]1CO ZINC000081604914 493927601 /nfs/dbraw/zinc/92/76/01/493927601.db2.gz PIMLPMLTIAXGRE-DLBZAZTESA-N 1 0 363.502 3.080 10 0 FGAERO Cc1nn(C)cc1[C@H](C)NC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000069305383 493953107 /nfs/dbraw/zinc/95/31/07/493953107.db2.gz IIAJKYDWFUFKHS-QFBILLFUSA-N 1 0 369.513 3.143 10 0 FGAERO Cc1cc2ncn(C[C@H](O)C[N@@H+]3CC[C@H](Nc4ccccc4)C3)c2cc1C ZINC000076758169 493966179 /nfs/dbraw/zinc/96/61/79/493966179.db2.gz UJHOCWRQMFTEMX-VQTJNVASSA-N 1 0 364.493 3.200 10 0 FGAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1ccc(Br)c(F)c1 ZINC000083703980 494031062 /nfs/dbraw/zinc/03/10/62/494031062.db2.gz KKTCKGQQVLCDDZ-WCQYABFASA-N 1 0 355.251 3.287 10 0 FGAERO COc1ccc([C@@H]([NH3+])c2cccc(I)c2)cc1OC ZINC000034957815 494071187 /nfs/dbraw/zinc/07/11/87/494071187.db2.gz HMIYKQZMYGJWSW-HNNXBMFYSA-N 1 0 369.202 3.357 10 0 FGAERO Cc1nc2cccnc2n1[C@H]1CCN(C(=O)CC2CC[NH+](C(C)C)CC2)C1 ZINC000065271283 494184314 /nfs/dbraw/zinc/18/43/14/494184314.db2.gz IZEHWQHTHQVGEC-SFHVURJKSA-N 1 0 369.513 3.024 10 0 FGAERO Cc1ccccc1C(=O)N[C@@H](C(=O)NCC(C)(C)[NH+]1CCCCC1)C(C)C ZINC000042159624 494205972 /nfs/dbraw/zinc/20/59/72/494205972.db2.gz PEVOLCKHRNPNKU-LJQANCHMSA-N 1 0 373.541 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ZINC000089517237 494320242 /nfs/dbraw/zinc/32/02/42/494320242.db2.gz MPMQOGZKUBAFIM-SUMWQHHRSA-N 1 0 356.422 3.144 10 0 FGAERO CC1(C)COCC[N@@H+]1C[C@H](O)COC(c1ccccc1)c1ccccc1 ZINC000066423698 494332148 /nfs/dbraw/zinc/33/21/48/494332148.db2.gz CLPOYAFQKAELTP-FQEVSTJZSA-N 1 0 355.478 3.264 10 0 FGAERO CC(C)Cc1ccc([C@@H](C)NC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)cc1 ZINC000073442567 494371355 /nfs/dbraw/zinc/37/13/55/494371355.db2.gz IIUDLPVTJFTTBI-RTBURBONSA-N 1 0 374.573 3.129 10 0 FGAERO C[C@@H](NC(=O)NCC1([NH+](C)C)CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000074003324 494465372 /nfs/dbraw/zinc/46/53/72/494465372.db2.gz SINSYAUZBDDYCC-GFCCVEGCSA-N 1 0 374.312 3.464 10 0 FGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NCC1(c2ccccc2)CCOCC1 ZINC000079495725 494465605 /nfs/dbraw/zinc/46/56/05/494465605.db2.gz DTWMABYLQAXNBF-LJQANCHMSA-N 1 0 361.530 3.010 10 0 FGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCC1(c2ccccc2)CCOCC1 ZINC000079495723 494465941 /nfs/dbraw/zinc/46/59/41/494465941.db2.gz DTWMABYLQAXNBF-IBGZPJMESA-N 1 0 361.530 3.010 10 0 FGAERO COc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccnc2Cl)cc1OC ZINC000056182111 494466790 /nfs/dbraw/zinc/46/67/90/494466790.db2.gz MJRORHONWHEEHX-RYUDHWBXSA-N 1 0 363.845 3.430 10 0 FGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1 ZINC000046266390 494511279 /nfs/dbraw/zinc/51/12/79/494511279.db2.gz SGQVVOJVWPVETM-RDJZCZTQSA-N 1 0 363.502 3.281 10 0 FGAERO Cc1ccc(C[N@H+](C)C[C@H](O)COc2cccc(Br)c2)o1 ZINC000046342453 494518542 /nfs/dbraw/zinc/51/85/42/494518542.db2.gz INUYJRUSLYOPMK-AWEZNQCLSA-N 1 0 354.244 3.222 10 0 FGAERO C[NH+](C)[C@H](CNC(=O)N[C@H]1CCOc2ccccc21)c1ccc(F)cc1 ZINC000056936295 494596083 /nfs/dbraw/zinc/59/60/83/494596083.db2.gz UMVRJBDFCQTXMT-ZWKOTPCHSA-N 1 0 357.429 3.251 10 0 FGAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2cccc(C[S@@](=O)c3ccccc3)c2)C1 ZINC000115776524 494619396 /nfs/dbraw/zinc/61/93/96/494619396.db2.gz CNHJHBUDQXALSC-DWXRJYCRSA-N 1 0 371.506 3.162 10 0 FGAERO C[C@@H](NC(=O)Nc1ccccc1)C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000047038325 494623781 /nfs/dbraw/zinc/62/37/81/494623781.db2.gz NNVKKOAODUZCJZ-FGTMMUONSA-N 1 0 374.529 3.071 10 0 FGAERO COc1c(C)cc(C[N@H+](C)C2CCN(CCn3cccn3)CC2)cc1C ZINC000121204729 494646056 /nfs/dbraw/zinc/64/60/56/494646056.db2.gz BDFOVSZXRFVTCJ-UHFFFAOYSA-N 1 0 356.514 3.105 10 0 FGAERO C[C@H]([NH2+]CC(=O)Nc1cccc(C(=O)N(C)C)c1)c1cccc(Cl)c1 ZINC000126204172 494671494 /nfs/dbraw/zinc/67/14/94/494671494.db2.gz JISKOSSOASDCNK-ZDUSSCGKSA-N 1 0 359.857 3.331 10 0 FGAERO CC(C)OC(=O)NCc1ccc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC000092762855 494739694 /nfs/dbraw/zinc/73/96/94/494739694.db2.gz FCXRUHZZTWZYAR-CRAIPNDOSA-N 1 0 374.485 3.022 10 0 FGAERO C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000116288227 494754087 /nfs/dbraw/zinc/75/40/87/494754087.db2.gz WFHLWINZELYVOZ-PKOBYXMFSA-N 1 0 353.466 3.154 10 0 FGAERO Cn1nccc1C1CC[NH+](Cc2c[nH]nc2-c2c(F)cccc2F)CC1 ZINC000092810326 494755083 /nfs/dbraw/zinc/75/50/83/494755083.db2.gz URDHZKSAVMYCBJ-UHFFFAOYSA-N 1 0 357.408 3.468 10 0 FGAERO CC(C)[NH+](CCCNC(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)C(C)C ZINC000080658436 494756649 /nfs/dbraw/zinc/75/66/49/494756649.db2.gz APVPURJBMYVMNI-INIZCTEOSA-N 1 0 363.502 3.327 10 0 FGAERO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H](Cc3noc(C)n3)C2)cc1 ZINC000092814318 494761447 /nfs/dbraw/zinc/76/14/47/494761447.db2.gz VENJGEPPGHQTQJ-OAHLLOKOSA-N 1 0 367.453 3.231 10 0 FGAERO Cc1nc(C[C@H]2CCC[N@H+](Cc3c[nH]nc3-c3ccccc3F)C2)no1 ZINC000092814018 494762166 /nfs/dbraw/zinc/76/21/66/494762166.db2.gz BEZNQYUEIKGRFH-CQSZACIVSA-N 1 0 355.417 3.362 10 0 FGAERO CCC[C@H](C(=O)Nc1cnn(-c2ccccc2Br)c1)[NH+](C)C ZINC000126630322 494805868 /nfs/dbraw/zinc/80/58/68/494805868.db2.gz KBVPLXOHMFKFLN-OAHLLOKOSA-N 1 0 365.275 3.304 10 0 FGAERO Cc1nc2sc3c(c2c(N2CCO[C@H](C[NH+](C)C)C2)n1)CCCCC3 ZINC000108951969 494809314 /nfs/dbraw/zinc/80/93/14/494809314.db2.gz ICJITTHIHNTPLR-CQSZACIVSA-N 1 0 360.527 3.035 10 0 FGAERO O=C(NCC1([NH+]2CCSCC2)CCCC1)N1CCC[C@H]1c1ccco1 ZINC000116532760 494809488 /nfs/dbraw/zinc/80/94/88/494809488.db2.gz AZWWWEHVTLURRE-INIZCTEOSA-N 1 0 363.527 3.488 10 0 FGAERO FC(F)SCc1ccc(C[NH2+][C@@H]2CCCN(c3cccnn3)C2)o1 ZINC000109070950 494826651 /nfs/dbraw/zinc/82/66/51/494826651.db2.gz BXLNGKKWKPNQGW-GFCCVEGCSA-N 1 0 354.426 3.284 10 0 FGAERO COc1cccc([C@H](CNC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)[NH+](C)C)c1 ZINC000109079602 494827662 /nfs/dbraw/zinc/82/76/62/494827662.db2.gz WIDYOKHWNVRAPA-UWVAXJGDSA-N 1 0 374.431 3.496 10 0 FGAERO C[NH+](C)CCOc1cccc(CNC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c1 ZINC000109088537 494829584 /nfs/dbraw/zinc/82/95/84/494829584.db2.gz ZGTSJEAMHCOKRR-ZWKOTPCHSA-N 1 0 374.431 3.325 10 0 FGAERO Cc1ccc2ncc(C[N@H+](C)C[C@@H](c3cccs3)N3CCOCC3)n2c1 ZINC000121751534 494851983 /nfs/dbraw/zinc/85/19/83/494851983.db2.gz QVIFYYFDVZQOIC-SFHVURJKSA-N 1 0 370.522 3.210 10 0 FGAERO Cc1cccc(C)c1NC(=O)N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000109380461 494867090 /nfs/dbraw/zinc/86/70/90/494867090.db2.gz NYZNKRDDQHGDBU-UHFFFAOYSA-N 1 0 355.486 3.128 10 0 FGAERO CC[N@@H+]1CCC[C@H](NC(=O)NCc2cccc(COCC(F)(F)F)c2)C1 ZINC000121883160 494881463 /nfs/dbraw/zinc/88/14/63/494881463.db2.gz QXVLCBOCTHKLSU-INIZCTEOSA-N 1 0 373.419 3.049 10 0 FGAERO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000027698382 494881557 /nfs/dbraw/zinc/88/15/57/494881557.db2.gz NCEPHHOXATZMTK-AYHJJNSGSA-N 1 0 356.466 3.217 10 0 FGAERO CC(=O)N(Cc1ccc(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1)C(C)C ZINC000117011463 494883805 /nfs/dbraw/zinc/88/38/05/494883805.db2.gz GIKDVIVEPXLYNP-FQEVSTJZSA-N 1 0 372.513 3.146 10 0 FGAERO CCC[C@@H](C(=O)Nc1cccc(NC(=O)NCc2ccncc2)c1)[NH+](C)C ZINC000094098750 494948274 /nfs/dbraw/zinc/94/82/74/494948274.db2.gz NHTWZFKLTQKVSB-SFHVURJKSA-N 1 0 369.469 3.072 10 0 FGAERO C[C@@H](CN1CCO[C@H](Cn2cccn2)C1)c1cccc(Br)c1 ZINC000122310382 494955499 /nfs/dbraw/zinc/95/54/99/494955499.db2.gz VVSDTYFLTRTUBT-YOEHRIQHSA-N 1 0 364.287 3.150 10 0 FGAERO C[C@@H](NC(=O)N1CCO[C@@H](C[NH+](C)C)C1)c1cccc(Cl)c1Cl ZINC000118090780 494976771 /nfs/dbraw/zinc/97/67/71/494976771.db2.gz RLGOKQLCMJPPNO-NEPJUHHUSA-N 1 0 360.285 3.026 10 0 FGAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCc1ccccc1OC1CCC1 ZINC000118265739 494988078 /nfs/dbraw/zinc/98/80/78/494988078.db2.gz AFVFSJVKRDIXSC-HXUWFJFHSA-N 1 0 352.478 3.407 10 0 FGAERO Cc1ccc2oc(N3CC[NH+](Cc4cc5ccccc5[nH]c4=O)CC3)nc2c1 ZINC000111227688 495050027 /nfs/dbraw/zinc/05/00/27/495050027.db2.gz BMZHQRBRFWTUKP-UHFFFAOYSA-N 1 0 374.444 3.300 10 0 FGAERO Cc1cc(-c2noc(C[S@](=O)Cc3nccn3C(C)C)n2)ccc1F ZINC000133724720 495051810 /nfs/dbraw/zinc/05/18/10/495051810.db2.gz VXOVSLVMXUPQLC-VWLOTQADSA-N 1 0 362.430 3.410 10 0 FGAERO C[C@H](O)C1CC[NH+](C[C@H](O)COc2ccc(-c3ccccc3)cc2)CC1 ZINC000111285391 495058461 /nfs/dbraw/zinc/05/84/61/495058461.db2.gz FSJWAZGOXIPGSK-UWJYYQICSA-N 1 0 355.478 3.186 10 0 FGAERO CC[C@H]1CN(Cc2nc3cc(C(F)(F)F)ccc3o2)CC[N@@H+]1CCOC ZINC000128338342 495081742 /nfs/dbraw/zinc/08/17/42/495081742.db2.gz CQVWVZGZHXFXQE-AWEZNQCLSA-N 1 0 371.403 3.389 10 0 FGAERO C[C@@H](O)CN1CC[N@H+](CCCCOc2ccccc2C(F)(F)F)C[C@H]1C ZINC000119141908 495103032 /nfs/dbraw/zinc/10/30/32/495103032.db2.gz RSZMINZRFPCAQV-HZPDHXFCSA-N 1 0 374.447 3.251 10 0 FGAERO CCOc1ccc([C@@H](CC)[NH2+]C[C@H](C)N2CCOCC2)cc1OCC ZINC000123510621 495143805 /nfs/dbraw/zinc/14/38/05/495143805.db2.gz MTOJWVNZHPIMTN-FUHWJXTLSA-N 1 0 350.503 3.245 10 0 FGAERO Cc1c(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)cnn1Cc1ccccc1 ZINC000119355238 495149527 /nfs/dbraw/zinc/14/95/27/495149527.db2.gz RKFXXWUBONENKF-LJQANCHMSA-N 1 0 354.498 3.090 10 0 FGAERO Cc1nc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc3c(c2)OCCO3)sc1C ZINC000112516708 495199481 /nfs/dbraw/zinc/19/94/81/495199481.db2.gz ZTSNDYPKMRBOCQ-VXGBXAGGSA-N 1 0 361.467 3.209 10 0 FGAERO C[C@@H]([NH2+][C@H](C)c1ccc(OC(F)(F)F)cc1)C(=O)Nc1ncccn1 ZINC000112523811 495200238 /nfs/dbraw/zinc/20/02/38/495200238.db2.gz YMCIJTFYNHCSEM-GHMZBOCLSA-N 1 0 354.332 3.053 10 0 FGAERO COc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccnn2C(C)C)cc1OC ZINC000112531092 495201510 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FGAERO CCN(CC)C(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](c2nncn2CC)C1 ZINC000103477378 495240781 /nfs/dbraw/zinc/24/07/81/495240781.db2.gz IWNGAZVIYGKWHR-MOPGFXCFSA-N 1 0 369.513 3.087 10 0 FGAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCc1ccccc1-n1nc(C)cc1C ZINC000119810733 495246285 /nfs/dbraw/zinc/24/62/85/495246285.db2.gz QHLSUFSGICTQHC-KRWDZBQOSA-N 1 0 357.502 3.019 10 0 FGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cnn(-c2ccccc2)c1C1CC1 ZINC000113227682 495286248 /nfs/dbraw/zinc/28/62/48/495286248.db2.gz JTXQLTRUYVIENM-MAUKXSAKSA-N 1 0 350.466 3.058 10 0 FGAERO Cc1cccc(CC(=O)NCC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)c1 ZINC000124444603 495288900 /nfs/dbraw/zinc/28/89/00/495288900.db2.gz SPNOPTVSLKQHEA-JOCHJYFZSA-N 1 0 366.505 3.099 10 0 FGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000113269849 495291354 /nfs/dbraw/zinc/29/13/54/495291354.db2.gz SQHWJKWCQAXZRR-GXTWGEPZSA-N 1 0 356.297 3.491 10 0 FGAERO COC(=O)c1ccc(-c2nc(CN3C[C@H]4CCC[N@@H+]4C[C@@H]3C)cs2)cc1 ZINC000113268549 495291672 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c1ccc(COc2ccccc2C[N@@H+]2CC[C@H](N3CCOCC3)C2)cc1 ZINC000121025210 495507192 /nfs/dbraw/zinc/50/71/92/495507192.db2.gz JCZVUTYSQWPNNS-NRFANRHFSA-N 1 0 352.478 3.172 10 0 FGAERO CN(CCCCNC(=O)[C@H](Cc1ccccc1)[NH+](C)C)c1ccccc1 ZINC000106910437 495510801 /nfs/dbraw/zinc/51/08/01/495510801.db2.gz RBKRTTBXZWKALK-NRFANRHFSA-N 1 0 353.510 3.192 10 0 FGAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N1CCO[C@H](c2ccccc2Cl)C1 ZINC000106917522 495512389 /nfs/dbraw/zinc/51/23/89/495512389.db2.gz DMKQYQWCCBTPIO-PMACEKPBSA-N 1 0 372.896 3.413 10 0 FGAERO C[C@@H](NC(=O)[C@@H](C)N1CC[NH+](C2CCC(C)CC2)CC1)c1ccccc1 ZINC000115565467 495518397 /nfs/dbraw/zinc/51/83/97/495518397.db2.gz GVXPQLJTWIGSJL-XTBIFASLSA-N 1 0 357.542 3.449 10 0 FGAERO C[C@H](O)C1CC[NH+](Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000179376748 495567684 /nfs/dbraw/zinc/56/76/84/495567684.db2.gz FWWFLRCOIRBONP-ZDUSSCGKSA-N 1 0 364.287 3.228 10 0 FGAERO Cc1csc(CCCCNC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)n1 ZINC000170757460 495592244 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C[NH+](C)[C@H]1CCN(C(=O)CCSc2ccccc2Br)C1 ZINC000170865977 495632721 /nfs/dbraw/zinc/63/27/21/495632721.db2.gz SAUQLPHYFWJESX-LBPRGKRZSA-N 1 0 357.317 3.094 10 0 FGAERO C[NH+](C)[C@@H]1CCN(C(=O)C2(c3ccc(Br)cc3)CCCC2)C1 ZINC000170867896 495633418 /nfs/dbraw/zinc/63/34/18/495633418.db2.gz CSIYSLUQDZIKRN-MRXNPFEDSA-N 1 0 365.315 3.423 10 0 FGAERO CN(C)c1ccccc1C[N@H+](C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000173691788 495649231 /nfs/dbraw/zinc/64/92/31/495649231.db2.gz YSOVCUHKMKLFRH-IBGZPJMESA-N 1 0 359.539 3.319 10 0 FGAERO Cc1nccn1C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1cccc2ncccc21 ZINC000154547578 495651098 /nfs/dbraw/zinc/65/10/98/495651098.db2.gz SATUZOKLARRFHZ-RDJZCZTQSA-N 1 0 363.465 3.231 10 0 FGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NCc1csc(-c2ccco2)n1 ZINC000150843836 495653174 /nfs/dbraw/zinc/65/31/74/495653174.db2.gz VQGWIFLIIHGNOY-CYBMUJFWSA-N 1 0 350.488 3.179 10 0 FGAERO O=C(CC[NH+]1CCN(c2nc3ccccc3o2)CC1)Nc1ccc(F)cc1 ZINC000170942083 495660416 /nfs/dbraw/zinc/66/04/16/495660416.db2.gz OUUZDCDFRYWDQL-UHFFFAOYSA-N 1 0 368.412 3.118 10 0 FGAERO CC[C@@H]1CN([C@@H](C)C(=O)Nc2ccc(Cl)cc2C)CC[N@@H+]1CCOC ZINC000170940568 495660611 /nfs/dbraw/zinc/66/06/11/495660611.db2.gz JGSRTXQTXOXSCD-DOTOQJQBSA-N 1 0 367.921 3.018 10 0 FGAERO O[C@@H](Cc1ccc(C(F)(F)F)cc1)C[NH+]1CCC(Cn2cccn2)CC1 ZINC000159114638 495662661 /nfs/dbraw/zinc/66/26/61/495662661.db2.gz VIENYWPJEZRQHD-SFHVURJKSA-N 1 0 367.415 3.218 10 0 FGAERO CCO[C@@H]1C[C@H]([NH2+]Cc2c(C3CC3)nc3sccn23)C12CCOCC2 ZINC000185656649 495665876 /nfs/dbraw/zinc/66/58/76/495665876.db2.gz VBQMBSBICJXRDN-JKSUJKDBSA-N 1 0 361.511 3.337 10 0 FGAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)C12CCOCC2 ZINC000185667881 495670958 /nfs/dbraw/zinc/67/09/58/495670958.db2.gz RDINPDGZKBTGAR-QZTJIDSGSA-N 1 0 359.445 3.280 10 0 FGAERO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000150920250 495681595 /nfs/dbraw/zinc/68/15/95/495681595.db2.gz IPJDVXXXDCYVLJ-DLBZAZTESA-N 1 0 372.431 3.069 10 0 FGAERO 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FGAERO CC(C)COc1ncc(C(=O)N2CCN3CCCC[C@@H]3C2)cc1Cl ZINC000183070433 495822128 /nfs/dbraw/zinc/82/21/28/495822128.db2.gz SRNOUOPHKXKEDV-OAHLLOKOSA-N 1 0 351.878 3.080 10 0 FGAERO CCn1cc(C2CCN(C(=O)NC[C@H](c3ccccc3)[NH+](C)C)CC2)cn1 ZINC000155098510 495835116 /nfs/dbraw/zinc/83/51/16/495835116.db2.gz ZLWYUQYIZNERAQ-HXUWFJFHSA-N 1 0 369.513 3.095 10 0 FGAERO [NH3+][C@H]1CC[C@H](C(=O)Nc2nc3ccc(OCC(F)(F)F)cc3s2)C1 ZINC000151425750 495836823 /nfs/dbraw/zinc/83/68/23/495836823.db2.gz DIYHUGOTUVNMNW-IUCAKERBSA-N 1 0 359.373 3.303 10 0 FGAERO Cc1cc(N2CC[C@H](CNc3cccc(C)[nH+]3)C2)nc(-c2ccncc2)n1 ZINC000171365283 495839410 /nfs/dbraw/zinc/83/94/10/495839410.db2.gz HCAPOEXFYUSXON-QGZVFWFLSA-N 1 0 360.465 3.489 10 0 FGAERO Cc1cccc(NC[C@H]2CCN(Cc3nccn3CC(F)(F)F)C2)[nH+]1 ZINC000171382888 495847375 /nfs/dbraw/zinc/84/73/75/495847375.db2.gz YODHNZPQWMKYIF-CQSZACIVSA-N 1 0 353.392 3.083 10 0 FGAERO C[C@H]([NH2+]CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1)[C@H]1CCCO1 ZINC000183145044 495852896 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FGAERO COc1cc([C@@H](C)[NH2+][C@@H]2CCc3nc(C(C)C)nn3C2)cc(OC)c1OC ZINC000180651519 496087109 /nfs/dbraw/zinc/08/71/09/496087109.db2.gz YBTNKQMEAZNSTN-UKRRQHHQSA-N 1 0 374.485 3.093 10 0 FGAERO C[C@H]([NH2+]CC(=O)NCc1cccc(Cl)c1)c1cccc(-n2ccnc2)c1 ZINC000180660607 496092813 /nfs/dbraw/zinc/09/28/13/496092813.db2.gz UUJFCUIDAPGXAG-HNNXBMFYSA-N 1 0 368.868 3.493 10 0 FGAERO Cc1cc(Br)cc2cc(C(=O)N3CC[C@H]([NH+](C)C)C3)oc21 ZINC000155869927 496093310 /nfs/dbraw/zinc/09/33/10/496093310.db2.gz LIYJXOQPGKXSOT-ZDUSSCGKSA-N 1 0 351.244 3.280 10 0 FGAERO C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CCC[C@@H]1Cn1ccnc1)c1ccccc1 ZINC000177518763 496094730 /nfs/dbraw/zinc/09/47/30/496094730.db2.gz AEFNCESNHHWJSK-IEBWSBKVSA-N 1 0 369.513 3.187 10 0 FGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccccc1OCCCOC ZINC000177538062 496104115 /nfs/dbraw/zinc/10/41/15/496104115.db2.gz ZDFKVLQTHVIEMY-DLBZAZTESA-N 1 0 361.486 3.192 10 0 FGAERO CC(C)c1ccc(CN(C(=O)C[NH+]2CCC([C@H](C)O)CC2)C2CC2)cc1 ZINC000171969307 496112683 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CSCC[C@H](NC(=O)C[NH+]1CCC(C)CC1)c1nc2ccccc2[nH]1 ZINC000136855962 495406280 /nfs/dbraw/zinc/40/62/80/495406280.db2.gz FEIHPUKXRBLKON-KRWDZBQOSA-N 1 0 360.527 3.205 10 0 FGAERO C[C@@H](c1nc(-c2cccs2)no1)[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000106076888 495410585 /nfs/dbraw/zinc/41/05/85/495410585.db2.gz PEVDHUIOXIECQJ-UONOGXRCSA-N 1 0 370.482 3.250 10 0 FGAERO CC[C@@H]1CN(CCCOc2cccc(C(F)(F)F)c2)CC[N@@H+]1C[C@@H](C)O ZINC000106101662 495414492 /nfs/dbraw/zinc/41/44/92/495414492.db2.gz YHIZUYNBEPDBJE-NVXWUHKLSA-N 1 0 374.447 3.251 10 0 FGAERO CC[C@@H]1CN([C@@H](C)C(=O)Nc2ccc3ccccc3c2)CC[N@@H+]1CCOC ZINC000106116235 495415657 /nfs/dbraw/zinc/41/56/57/495415657.db2.gz YKSWLSKTALVHOK-LAUBAEHRSA-N 1 0 369.509 3.209 10 0 FGAERO CCOCCN1CC[N@H+](CCC(=O)Nc2cccc3ccccc32)C[C@@H]1C ZINC000106111436 495415898 /nfs/dbraw/zinc/41/58/98/495415898.db2.gz YIWCZRQXXKRAPY-SFHVURJKSA-N 1 0 369.509 3.211 10 0 FGAERO C[N@@H+](Cc1ccc2c(c1)OCCO2)C[C@@H](c1cccs1)N1CCOCC1 ZINC000106160068 495420906 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3.060 10 0 FGAERO CCN(CC)C(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@H](n2cc(C)cn2)C1 ZINC000106223830 495437951 /nfs/dbraw/zinc/43/79/51/495437951.db2.gz PARWVZFYHBIRDP-PMACEKPBSA-N 1 0 354.498 3.438 10 0 FGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCC(c2c[nH]c3ncccc23)CC1 ZINC000114933368 495443785 /nfs/dbraw/zinc/44/37/85/495443785.db2.gz KYEADWXWTAILPE-KRWDZBQOSA-N 1 0 371.529 3.428 10 0 FGAERO CCc1noc(-c2ccc(C)c(NC(=O)N[C@@H]3C[N@@H+](C(C)C)C[C@@H]3C)c2)n1 ZINC000125481896 495451008 /nfs/dbraw/zinc/45/10/08/495451008.db2.gz KMYHVXYLMWDKAO-WMLDXEAASA-N 1 0 371.485 3.458 10 0 FGAERO C[C@@H](OCCCNC(=O)[C@H](Cc1ccccc1)[NH+](C)C)c1ccccc1 ZINC000106427551 495455729 /nfs/dbraw/zinc/45/57/29/495455729.db2.gz XKLFZSDTSNSCAQ-NQIIRXRSSA-N 1 0 354.494 3.443 10 0 FGAERO CCc1ccsc1C(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000115157281 495468688 /nfs/dbraw/zinc/46/86/88/495468688.db2.gz XZQSPNUUBHCAGQ-LJQANCHMSA-N 1 0 372.534 3.486 10 0 FGAERO C[NH+]1CCC(CNC(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)CC1 ZINC000138975569 495471190 /nfs/dbraw/zinc/47/11/90/495471190.db2.gz NVWPZLNVWWERTO-GOSISDBHSA-N 1 0 357.498 3.464 10 0 FGAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000115219281 495476404 /nfs/dbraw/zinc/47/64/04/495476404.db2.gz BDDPEMCSPATADJ-NRFANRHFSA-N 1 0 370.468 3.368 10 0 FGAERO COc1ccccc1C[C@H](NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C)C(C)C ZINC000176175189 495532155 /nfs/dbraw/zinc/53/21/55/495532155.db2.gz PALJANNTSYIDHE-UHOSZYNNSA-N 1 0 359.514 3.140 10 0 FGAERO Cc1ccccc1C1(CNC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)CCOCC1 ZINC000158546318 495534342 /nfs/dbraw/zinc/53/43/42/495534342.db2.gz HYBOYIOROVNWKE-ICSRJNTNSA-N 1 0 373.541 3.071 10 0 FGAERO CC[C@H](C)Oc1ccc(C(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000176181906 495535248 /nfs/dbraw/zinc/53/52/48/495535248.db2.gz OWPIJEAKDYCLFT-IRXDYDNUSA-N 1 0 362.514 3.029 10 0 FGAERO CCC[NH+]1CCC(CNC(=O)N2CCC[C@@H](c3nc(C)cs3)C2)CC1 ZINC000173490304 495555276 /nfs/dbraw/zinc/55/52/76/495555276.db2.gz FZZIKWFPLVULAZ-QGZVFWFLSA-N 1 0 364.559 3.463 10 0 FGAERO Cc1cc(N2CCC[C@@H]([NH2+]Cc3c(C)cc(Cl)cc3C)C2=O)n(C)n1 ZINC000182482701 495580291 /nfs/dbraw/zinc/58/02/91/495580291.db2.gz QXBMTMUHTDOXTE-QGZVFWFLSA-N 1 0 360.889 3.284 10 0 FGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 ZINC000176292657 495583690 /nfs/dbraw/zinc/58/36/90/495583690.db2.gz OWOBIZYXFBPOSW-HKUYNNGSSA-N 1 0 361.486 3.192 10 0 FGAERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1cccc(C(=O)N2CCCC2)c1C ZINC000154360120 495593081 /nfs/dbraw/zinc/59/30/81/495593081.db2.gz VSBOLVBZDYYJOK-HNNXBMFYSA-N 1 0 360.502 3.083 10 0 FGAERO C[C@@H]([NH2+]CC(=O)N1CCC2(CC1)OCCO2)c1ccc(C(C)(C)C)cc1 ZINC000154390592 495602595 /nfs/dbraw/zinc/60/25/95/495602595.db2.gz KPPUIDQEIRMPLC-MRXNPFEDSA-N 1 0 360.498 3.000 10 0 FGAERO C[NH+](C)[C@@H]1CCN(C(=O)NCCc2cccc(OCc3ccccc3)c2)C1 ZINC000154406277 495607217 /nfs/dbraw/zinc/60/72/17/495607217.db2.gz HJLYVLSRMDMSAU-HXUWFJFHSA-N 1 0 367.493 3.154 10 0 FGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccc(-n2cccn2)c(Cl)c1 ZINC000176339588 495608999 /nfs/dbraw/zinc/60/89/99/495608999.db2.gz XMTAUWUCABSVRX-OAHLLOKOSA-N 1 0 361.877 3.474 10 0 FGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccc(CN(C(C)=O)C(C)C)cc1 ZINC000176356582 495617728 /nfs/dbraw/zinc/61/77/28/495617728.db2.gz FRKZCJSSFKKWFP-FQEVSTJZSA-N 1 0 374.529 3.392 10 0 FGAERO COC(=O)Nc1ccc(NC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)cc1F ZINC000182584807 495625781 /nfs/dbraw/zinc/62/57/81/495625781.db2.gz WDFKLBVDIFYFMY-CQSZACIVSA-N 1 0 366.437 3.246 10 0 FGAERO O=C([C@H]1CCC[NH2+]C1)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000158971980 495627747 /nfs/dbraw/zinc/62/77/47/495627747.db2.gz WBOURGDBQAZBJF-BONVTDFDSA-N 1 0 361.244 3.032 10 0 FGAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)C1 ZINC000170858664 495630200 /nfs/dbraw/zinc/63/02/00/495630200.db2.gz NOKSBTJFDGHRFH-INIZCTEOSA-N 1 0 371.868 3.368 10 0 FGAERO C[C@@H](Sc1ccc(Br)cc1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170865144 495631526 /nfs/dbraw/zinc/63/15/26/495631526.db2.gz XBBINPXZTZAUMQ-YPMHNXCESA-N 1 0 357.317 3.092 10 0 FGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N(CCc1ccccc1)[C@@H]1CCOC1 ZINC000176415268 495643429 /nfs/dbraw/zinc/64/34/29/495643429.db2.gz XOMDJGRFEAMBBO-VQTJNVASSA-N 1 0 361.530 3.006 10 0 FGAERO [NH3+][C@@H]1CC[C@@H](C(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)C1 ZINC000150824464 495646717 /nfs/dbraw/zinc/64/67/17/495646717.db2.gz PNDNMQCWLMMBJQ-TZIWHRDSSA-N 1 0 374.488 3.342 10 0 FGAERO C[N@H+](CCc1c(F)cccc1Cl)C1CCN(CCn2cccn2)CC1 ZINC000170942205 495661182 /nfs/dbraw/zinc/66/11/82/495661182.db2.gz CKVVXIDOSGTKID-UHFFFAOYSA-N 1 0 364.896 3.315 10 0 FGAERO CC(=O)Nc1cccc(NC(=O)N[C@@H](C)C[N@H+](C)Cc2ccccc2)c1 ZINC000182796828 495706326 /nfs/dbraw/zinc/70/63/26/495706326.db2.gz NLGOBUHENUYZRZ-HNNXBMFYSA-N 1 0 354.454 3.287 10 0 FGAERO CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)Cc2ccc(Br)cc2)C1 ZINC000179751235 495718799 /nfs/dbraw/zinc/71/87/99/495718799.db2.gz GBEWDLMHOBDXTL-BBRMVZONSA-N 1 0 353.304 3.228 10 0 FGAERO C[C@@H]1CC[C@H](C(=O)N(CC[NH+](C)C)Cc2ccc(C(F)(F)F)cc2)O1 ZINC000151042780 495720202 /nfs/dbraw/zinc/72/02/02/495720202.db2.gz SWKYUEFHMJNBEX-CZUORRHYSA-N 1 0 358.404 3.163 10 0 FGAERO CC(C)C[C@@H]([NH2+]C1C2CC3CC(C2)CC1C3)c1nc(-c2nc[nH]n2)no1 ZINC000179809207 495742282 /nfs/dbraw/zinc/74/22/82/495742282.db2.gz XBMKGROMEKGCKE-BAPHQMLMSA-N 1 0 356.474 3.356 10 0 FGAERO CCc1nccn1[C@@H]1CCCN(C(=O)C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000179816410 495746420 /nfs/dbraw/zinc/74/64/20/495746420.db2.gz SIACJYCCQKHODH-SJORKVTESA-N 1 0 361.873 3.386 10 0 FGAERO COCC[N@H+](C)CCNC(=O)N[C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000171200125 495765161 /nfs/dbraw/zinc/76/51/61/495765161.db2.gz XCFIJXAUVPOAEL-JTQLQIEISA-N 1 0 366.264 3.071 10 0 FGAERO CC(C)[N@H+]1C[C@H](NC(=O)C(=O)Nc2cccc(-c3cccs3)c2)[C@@H](C)C1 ZINC000176748564 495771899 /nfs/dbraw/zinc/77/18/99/495771899.db2.gz HYWSEZHIIZMQMI-YOEHRIQHSA-N 1 0 371.506 3.199 10 0 FGAERO C[C@@H](COCc1ccccc1)NC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000173984018 495777184 /nfs/dbraw/zinc/77/71/84/495777184.db2.gz CGDNYXPZEBUGRP-PKOBYXMFSA-N 1 0 371.481 3.321 10 0 FGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000173999212 495782792 /nfs/dbraw/zinc/78/27/92/495782792.db2.gz QPHHFOCLKSDDAC-SJLPKXTDSA-N 1 0 357.502 3.209 10 0 FGAERO CCC(=O)c1ccc(OCCCCC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000171299715 495810495 /nfs/dbraw/zinc/81/04/95/495810495.db2.gz VSJGAYADDZIWBA-GOSISDBHSA-N 1 0 358.482 3.135 10 0 FGAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)c2cc(Cl)sc2Cl)CC1 ZINC000176865312 495817200 /nfs/dbraw/zinc/81/72/00/495817200.db2.gz HZGNLRMWWXZQQW-JTQLQIEISA-N 1 0 365.326 3.220 10 0 FGAERO O=C1c2ccccc2C(=O)N1CCCC[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000176883758 495825568 /nfs/dbraw/zinc/82/55/68/495825568.db2.gz UGWSPIXEESEZLR-CYBMUJFWSA-N 1 0 354.372 3.337 10 0 FGAERO O=C(NC1CC[NH+](CC2CC2)CC1)N1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000174123333 495828417 /nfs/dbraw/zinc/82/84/17/495828417.db2.gz LVMAMGLLHBKTHM-LEWJYISDSA-N 1 0 371.525 3.159 10 0 FGAERO CC(C)Oc1cc(Br)cc(NC(=O)N2CC[C@H]([NH+](C)C)C2)c1 ZINC000174146097 495836878 /nfs/dbraw/zinc/83/68/78/495836878.db2.gz BPSHFHXTMBKXHG-AWEZNQCLSA-N 1 0 370.291 3.404 10 0 FGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H](C)c1c(C)nn(CC(F)(F)F)c1C ZINC000183142830 495852700 /nfs/dbraw/zinc/85/27/00/495852700.db2.gz POCNHTCJUGWNDU-SWLSCSKDSA-N 1 0 374.451 3.108 10 0 FGAERO CCCn1ccc2cc(NC(=O)NC[C@@H](O)C[NH+]3CCCCC3)ccc21 ZINC000171406237 495859644 /nfs/dbraw/zinc/85/96/44/495859644.db2.gz IMGFLNPVJGIKPM-GOSISDBHSA-N 1 0 358.486 3.020 10 0 FGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CCCc1nc(-c2ccc(F)cc2)no1 ZINC000176968944 495862292 /nfs/dbraw/zinc/86/22/92/495862292.db2.gz TUAHZRGPTWNWAZ-KRWDZBQOSA-N 1 0 374.460 3.141 10 0 FGAERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3c(C4CC4)nc4sccn34)C2)n1 ZINC000180120335 495865766 /nfs/dbraw/zinc/86/57/66/495865766.db2.gz YVHQRPYTXOFXHY-OAHLLOKOSA-N 1 0 370.526 3.394 10 0 FGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1nn(-c2ccccc2F)c2c1CCC2 ZINC000176988531 495872010 /nfs/dbraw/zinc/87/20/10/495872010.db2.gz OLEJYOYKMGULMV-OAHLLOKOSA-N 1 0 370.472 3.056 10 0 FGAERO C[C@H](CNC(=O)N[C@H](Cc1ccccc1)C(F)(F)F)C[NH+]1CCCC1 ZINC000151558864 495878483 /nfs/dbraw/zinc/87/84/83/495878483.db2.gz KHGHWFCFYGRXPH-GDBMZVCRSA-N 1 0 357.420 3.191 10 0 FGAERO CCC[C@@H](O)C[NH2+][C@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186189736 495891007 /nfs/dbraw/zinc/89/10/07/495891007.db2.gz ADFVVDSPMLDPBM-HZPDHXFCSA-N 1 0 350.260 3.079 10 0 FGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccccc1OCc1c(C)noc1C ZINC000177030164 495891658 /nfs/dbraw/zinc/89/16/58/495891658.db2.gz HXTXDNAFJGVULH-QGZVFWFLSA-N 1 0 371.481 3.427 10 0 FGAERO CCO[C@H]1C[C@H]([NH2+]CC(=O)Nc2c(C)cc(C)cc2C)C12CCOCC2 ZINC000186201610 495894308 /nfs/dbraw/zinc/89/43/08/495894308.db2.gz IIKVEQSEVXCWIP-ROUUACIJSA-N 1 0 360.498 3.114 10 0 FGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000177043091 495898830 /nfs/dbraw/zinc/89/88/30/495898830.db2.gz ATIJKAUZUPPHFF-IBGZPJMESA-N 1 0 371.525 3.461 10 0 FGAERO CCO[C@H]1C[C@@H]([NH2+]Cc2cccc(NC(=O)C3CCC3)c2)C12CCOCC2 ZINC000186225115 495904435 /nfs/dbraw/zinc/90/44/35/495904435.db2.gz LLKBOBKXFVXTNP-UXHICEINSA-N 1 0 372.509 3.489 10 0 FGAERO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(C(=O)N(CC)CC)cc2)C12CCOCC2 ZINC000186229650 495905149 /nfs/dbraw/zinc/90/51/49/495905149.db2.gz BWKDGEXFNXNOEW-PMACEKPBSA-N 1 0 374.525 3.232 10 0 FGAERO CCO[C@@H]1C[C@H]([NH2+]Cc2cccnc2OCC(F)(F)F)C12CCOCC2 ZINC000186236782 495907921 /nfs/dbraw/zinc/90/79/21/495907921.db2.gz XUSKXOMEOLKWRI-LSDHHAIUSA-N 1 0 374.403 3.087 10 0 FGAERO CCO[C@H]1C[C@@H]([NH2+]Cc2cccnc2OCC(F)(F)F)C12CCOCC2 ZINC000186236836 495908302 /nfs/dbraw/zinc/90/83/02/495908302.db2.gz XUSKXOMEOLKWRI-CABCVRRESA-N 1 0 374.403 3.087 10 0 FGAERO Cc1cnn(CC[NH2+][C@H](c2ccc(Br)cc2)c2cncnc2)c1 ZINC000186255541 495916512 /nfs/dbraw/zinc/91/65/12/495916512.db2.gz DKIJGAOHCGONFX-QGZVFWFLSA-N 1 0 372.270 3.123 10 0 FGAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)C12CCOCC2 ZINC000186287959 495928612 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3.089 10 0 FGAERO Cc1nccn1C[C@H]1CCCN1C(=O)Cn1ccc2ccc(Cl)cc21 ZINC000177154901 495951631 /nfs/dbraw/zinc/95/16/31/495951631.db2.gz GCBYHEDNWOIQQD-QGZVFWFLSA-N 1 0 356.857 3.491 10 0 FGAERO Cc1ccccc1[C@H](C)NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000174421057 495952389 /nfs/dbraw/zinc/95/23/89/495952389.db2.gz AKQRTIIFNLOKCE-SFHVURJKSA-N 1 0 351.494 3.233 10 0 FGAERO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(OC)nc3ccccc23)C12CCOCC2 ZINC000186362200 495964281 /nfs/dbraw/zinc/96/42/81/495964281.db2.gz OKPKIXWRIVBOBP-RBUKOAKNSA-N 1 0 356.466 3.307 10 0 FGAERO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](CNc3ccccn3)C2)cc1F ZINC000171644271 495965058 /nfs/dbraw/zinc/96/50/58/495965058.db2.gz XZRMMMVLTOXGNJ-JKSUJKDBSA-N 1 0 356.445 3.290 10 0 FGAERO O=C(N[C@@H](c1cccc(F)c1)c1ccccn1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000155467207 495965236 /nfs/dbraw/zinc/96/52/36/495965236.db2.gz AYOJCKNTROZUOC-QUCCMNQESA-N 1 0 368.456 3.190 10 0 FGAERO Cc1cccc(NC[C@H]2CCN(Cc3nc(-c4ccsc4)no3)C2)[nH+]1 ZINC000171651182 495970310 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FGAERO Cc1ccc(F)c(C(=O)NCC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)c1 ZINC000174858434 496136328 /nfs/dbraw/zinc/13/63/28/496136328.db2.gz COPOEOCOKOLCQH-OAQYLSRUSA-N 1 0 370.468 3.310 10 0 FGAERO Fc1cc(C[NH2+][C@@H]2CCCN(c3cccnn3)C2)ccc1Br ZINC000177708502 496166850 /nfs/dbraw/zinc/16/68/50/496166850.db2.gz KTHPLKIDYQNYQH-CYBMUJFWSA-N 1 0 365.250 3.137 10 0 FGAERO COc1cccc(-c2nc(CN3CC[N@@H+]4CCCC[C@@H]4C3)cs2)c1OC ZINC000177754737 496184004 /nfs/dbraw/zinc/18/40/04/496184004.db2.gz NZSYFBYCOCWDPK-MRXNPFEDSA-N 1 0 373.522 3.497 10 0 FGAERO Cn1ccnc1COc1ccc(C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)cc1 ZINC000152549678 496184551 /nfs/dbraw/zinc/18/45/51/496184551.db2.gz BAOJUSXPVIKFRH-HXUWFJFHSA-N 1 0 364.449 3.047 10 0 FGAERO COc1ccc([C@H](C)[NH2+]CC(=O)N[C@@H](C)c2ccccc2OC)cc1OC ZINC000180884262 496184832 /nfs/dbraw/zinc/18/48/32/496184832.db2.gz JXWFRNBOLQHHPR-GJZGRUSLSA-N 1 0 372.465 3.240 10 0 FGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCc1c(C)nn(CC(C)C)c1C ZINC000174987158 496194767 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FGAERO CC[C@H](C)Oc1ccc(NC(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](CC)C2)cc1 ZINC000181182456 496300881 /nfs/dbraw/zinc/30/08/81/496300881.db2.gz KTJJPLKMEANQEV-SOLBZPMBSA-N 1 0 363.502 3.173 10 0 FGAERO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]Cc2ccc(CO)c(F)c2)C1 ZINC000172472786 496310915 /nfs/dbraw/zinc/31/09/15/496310915.db2.gz GQTSNKAOEAGYHL-OAHLLOKOSA-N 1 0 352.450 3.055 10 0 FGAERO FC(F)(F)Oc1cccc(CC[N@@H+]2CCC[C@@H](Cn3cncn3)C2)c1 ZINC000156752670 496326783 /nfs/dbraw/zinc/32/67/83/496326783.db2.gz JZFMCKRNTPZQQJ-OAHLLOKOSA-N 1 0 354.376 3.131 10 0 FGAERO COc1c(CN2CCc3c(Br)ccc(F)c3C2)c(C)nn1C ZINC000184329587 496336911 /nfs/dbraw/zinc/33/69/11/496336911.db2.gz IYOLWNNHTMXHNB-UHFFFAOYSA-N 1 0 368.250 3.197 10 0 FGAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)C[C@H](C)c2ccc(F)cc2F)CC1 ZINC000162365394 496343855 /nfs/dbraw/zinc/34/38/55/496343855.db2.gz JVLQYDGOZRIBIM-LSDHHAIUSA-N 1 0 368.468 3.010 10 0 FGAERO Cc1noc(C)c1[C@@H](C)CNC(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000181297629 496344801 /nfs/dbraw/zinc/34/48/01/496344801.db2.gz MCWBNBFLHXJQFN-GJZGRUSLSA-N 1 0 358.486 3.215 10 0 FGAERO CCN(CCc1nccs1)C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000181305302 496348364 /nfs/dbraw/zinc/34/83/64/496348364.db2.gz VSADTZHBIACTAI-INIZCTEOSA-N 1 0 360.527 3.238 10 0 FGAERO CC(C)Oc1ccc(NC(=O)NC[C@@H](O)C[NH+]2CCCCC2)c(Cl)c1 ZINC000187227163 496348629 /nfs/dbraw/zinc/34/86/29/496348629.db2.gz RUCCEUQJNJYULX-CQSZACIVSA-N 1 0 369.893 3.096 10 0 FGAERO COc1ccc(C[C@@H](C)C[NH2+][C@H]2CCc3nc(C(C)C)nn3C2)cc1F ZINC000187296126 496381688 /nfs/dbraw/zinc/38/16/88/496381688.db2.gz ZDLIMZAJDLTDKR-ZBFHGGJFSA-N 1 0 360.477 3.332 10 0 FGAERO CC[N@@H+]1CCC[C@@H](NC(=O)Cc2c[nH]c3cccc(Br)c23)C1 ZINC000153209144 496383895 /nfs/dbraw/zinc/38/38/95/496383895.db2.gz XGWZLKFPQXDGNA-CYBMUJFWSA-N 1 0 364.287 3.073 10 0 FGAERO CN(CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)C(=O)NCC(C)(C)C ZINC000175443589 496393449 /nfs/dbraw/zinc/39/34/49/496393449.db2.gz XGHQQENNBDVVMY-LJQANCHMSA-N 1 0 361.530 3.120 10 0 FGAERO CCOC(=O)C[C@H](NC(=O)C[C@@H](C)C1CC[NH2+]CC1)c1ccccc1C ZINC000162699845 496399700 /nfs/dbraw/zinc/39/97/00/496399700.db2.gz RJZSSAUYQNYZKJ-APWZRJJASA-N 1 0 360.498 3.131 10 0 FGAERO CCC[C@H](NC(=O)C[N@@H+]1CCC[C@@H]1Cn1ccnc1C)c1ccccc1 ZINC000178306477 496406680 /nfs/dbraw/zinc/40/66/80/496406680.db2.gz QYKJCAKXLGLLTE-UXHICEINSA-N 1 0 354.498 3.314 10 0 FGAERO CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000178315599 496410555 /nfs/dbraw/zinc/41/05/55/496410555.db2.gz OLGXCKHRWDEZOA-MJGOQNOKSA-N 1 0 356.470 3.082 10 0 FGAERO CCc1nccn1[C@@H]1CCC[N@H+](C[C@@H]2CN(c3ccccc3)C(=O)O2)C1 ZINC000172794205 496434296 /nfs/dbraw/zinc/43/42/96/496434296.db2.gz AWWHEFSFOFSXOF-QZTJIDSGSA-N 1 0 354.454 3.108 10 0 FGAERO [NH3+][C@@H]1CCC[C@@H](C(=O)Nc2ccnn2Cc2ccc(Cl)c(F)c2)C1 ZINC000157258884 496440525 /nfs/dbraw/zinc/44/05/25/496440525.db2.gz NSOVJYWPAMKMAY-CHWSQXEVSA-N 1 0 350.825 3.180 10 0 FGAERO Cc1cc(C)c(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1Br ZINC000187529434 496478771 /nfs/dbraw/zinc/47/87/71/496478771.db2.gz HYQWTKZDHOIOAV-CYBMUJFWSA-N 1 0 352.276 3.378 10 0 FGAERO Cc1ccc2c(C[NH2+][C@@H](C)c3ccc(S(C)(=O)=O)cc3)cc(=O)oc2c1 ZINC000163202862 496481257 /nfs/dbraw/zinc/48/12/57/496481257.db2.gz VZVURTOMJHOKJQ-AWEZNQCLSA-N 1 0 371.458 3.356 10 0 FGAERO CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000181645004 496484959 /nfs/dbraw/zinc/48/49/59/496484959.db2.gz BHOLPTFEMJUGPM-HOJAQTOUSA-N 1 0 367.578 3.326 10 0 FGAERO COc1ccc2nc(C3CC3)cc(C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)c2c1 ZINC000178538622 496492916 /nfs/dbraw/zinc/49/29/16/496492916.db2.gz JTIKCCXNNXUVMM-OAHLLOKOSA-N 1 0 351.450 3.041 10 0 FGAERO C[C@@H]([NH2+][C@H](c1ccccc1)c1cccnc1)c1ccc(-n2cnnn2)cc1 ZINC000178613634 496516642 /nfs/dbraw/zinc/51/66/42/496516642.db2.gz NLDTVURWWMOXMB-IIBYNOLFSA-N 1 0 356.433 3.498 10 0 FGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(OC)c2ncccc12 ZINC000181779533 496541438 /nfs/dbraw/zinc/54/14/38/496541438.db2.gz BTCXBILHJFQKTH-HUUCEWRRSA-N 1 0 354.454 3.334 10 0 FGAERO Cn1cc([C@@H]2CCN(C(=O)C3(C)CC[NH+](Cc4ccccc4)CC3)C2)cn1 ZINC000163711425 496549529 /nfs/dbraw/zinc/54/95/29/496549529.db2.gz SSUUHWDSSKKXSC-LJQANCHMSA-N 1 0 366.509 3.038 10 0 FGAERO CCC(CC)(CNC(=O)OC(C)(C)C)[NH2+]Cc1cc(C(N)=O)cs1 ZINC000178858804 496596673 /nfs/dbraw/zinc/59/66/73/496596673.db2.gz ZURROQWWHLSGSJ-UHFFFAOYSA-N 1 0 355.504 3.020 10 0 FGAERO O=C(N[C@@H]1CCOc2ccccc21)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000178870301 496600416 /nfs/dbraw/zinc/60/04/16/496600416.db2.gz SYJXGNZKOCJAPV-LZQZEXGQSA-N 1 0 355.482 3.169 10 0 FGAERO Cc1nccn1C[C@H]1CCCN1C(=O)c1cnc2c(C)cccc2c1O ZINC000164516848 496616985 /nfs/dbraw/zinc/61/69/85/496616985.db2.gz ZDSDJWGTILGVQP-OAHLLOKOSA-N 1 0 350.422 3.059 10 0 FGAERO O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000176037957 496654164 /nfs/dbraw/zinc/65/41/64/496654164.db2.gz SNNZCLKGABCBRV-FGZHOGPDSA-N 1 0 370.537 3.476 10 0 FGAERO Cc1cccc(-c2noc(C[N@H+]3C[C@@H](c4ccsc4)[C@H](CO)C3)n2)c1 ZINC000188106842 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BWUBUZPCULDKCS-LJQANCHMSA-N 1 0 362.543 3.221 10 0 FGAERO CCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H]([NH2+]CCC1=CCCCC1)C2 ZINC000014733786 220130732 /nfs/dbraw/zinc/13/07/32/220130732.db2.gz YGADRAVXOXGRJT-GOSISDBHSA-N 1 0 370.541 3.476 10 0 FGAERO CCn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([NH2+]CCC1=CCCCC1)C2 ZINC000014733785 220131350 /nfs/dbraw/zinc/13/13/50/220131350.db2.gz YGADRAVXOXGRJT-SFHVURJKSA-N 1 0 370.541 3.476 10 0 FGAERO CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H]([NH+]1CCCCC1)C2 ZINC000014755075 220132370 /nfs/dbraw/zinc/13/23/70/220132370.db2.gz YSMRNEYZAXCZJV-KRWDZBQOSA-N 1 0 358.530 3.262 10 0 FGAERO CCNC(=O)c1nn(Cc2ccccc2)c2c1C[C@@H]([N@H+](C)CC(C)C)CC2 ZINC000014746633 220132432 /nfs/dbraw/zinc/13/24/32/220132432.db2.gz RBHFUILTBVBKMN-SFHVURJKSA-N 1 0 368.525 3.126 10 0 FGAERO O=C1CC[C@H](CC[NH2+]Cc2cccc(C(F)(F)F)c2)N1C[C@@H]1CCCO1 ZINC000014980121 220138820 /nfs/dbraw/zinc/13/88/20/220138820.db2.gz XRGFWJYOOOAJIQ-SJORKVTESA-N 1 0 370.415 3.355 10 0 FGAERO 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370.537 3.484 10 0 FGAERO CC(=O)c1cc(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)n(C)c1 ZINC000062228469 494005986 /nfs/dbraw/zinc/00/59/86/494005986.db2.gz OHCARHUBFBEAGG-IBGZPJMESA-N 1 0 353.466 3.012 10 0 FGAERO C[C@H]1CCC[N@H+](CC2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)C1 ZINC000032952020 494031921 /nfs/dbraw/zinc/03/19/21/494031921.db2.gz NLQHZEMGGVFWTB-HNNXBMFYSA-N 1 0 370.946 3.473 10 0 FGAERO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCO2)C(=O)Nc1ccc(F)c(F)c1 ZINC000052658481 494051408 /nfs/dbraw/zinc/05/14/08/494051408.db2.gz TUHDDFNFDZXANU-NWDGAFQWSA-N 1 0 362.376 3.414 10 0 FGAERO Cc1ccccc1OC[C@H](O)C[N@@H+](Cc1ccsc1)C[C@@H]1CCCO1 ZINC000036031598 494083973 /nfs/dbraw/zinc/08/39/73/494083973.db2.gz AORWICNRHRPKJS-MOPGFXCFSA-N 1 0 361.507 3.477 10 0 FGAERO O[C@H](COCc1ccccc1)C[N@@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000036096998 494086241 /nfs/dbraw/zinc/08/62/41/494086241.db2.gz WUYTUFXGKRMFFI-FCHUYYIVSA-N 1 0 355.478 3.245 10 0 FGAERO CC[C@@H](O)C[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccc(OC)c(OC)c1 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1 0 369.513 3.030 10 0 FGAERO CNC(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc(Cl)c2)c1 ZINC000042334123 494218209 /nfs/dbraw/zinc/21/82/09/494218209.db2.gz PDOKLPPJNSQJFC-QWHCGFSZSA-N 1 0 359.857 3.377 10 0 FGAERO CCCNC(=O)c1ccc(NC(=O)NC[C@H](C)[NH+](CC)CC)cc1Cl ZINC000054475403 494238770 /nfs/dbraw/zinc/23/87/70/494238770.db2.gz HRWVRUHMOFUAGY-ZDUSSCGKSA-N 1 0 368.909 3.332 10 0 FGAERO CC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc3c(c2)OCCO3)c1 ZINC000078315193 494277462 /nfs/dbraw/zinc/27/74/62/494277462.db2.gz YGXOAHSKKCBTHK-KGLIPLIRSA-N 1 0 368.433 3.338 10 0 FGAERO CN(c1ccc(NC(=O)c2ccc(NC=O)cc2)cc1)C1CC[NH+](C)CC1 ZINC000073000686 494303021 /nfs/dbraw/zinc/30/30/21/494303021.db2.gz INMOXHICCDDWBG-UHFFFAOYSA-N 1 0 366.465 3.038 10 0 FGAERO C[C@H]([NH2+][C@@H](C)c1ccc(F)c(Cl)c1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000066391731 494326228 /nfs/dbraw/zinc/32/62/28/494326228.db2.gz UITFGAOIALPKOT-QWRGUYRKSA-N 1 0 363.820 3.256 10 0 FGAERO CC(C)c1ccc([C@@H](C)NC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)cc1 ZINC000073489753 494376708 /nfs/dbraw/zinc/37/67/08/494376708.db2.gz CFNFVRXBXYMQQE-ZWKOTPCHSA-N 1 0 360.546 3.054 10 0 FGAERO C[C@H](CNC(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1)C[NH+]1CCN(C)CC1 ZINC000073777617 494427074 /nfs/dbraw/zinc/42/70/74/494427074.db2.gz NPZSATRLMHWEHE-QZTJIDSGSA-N 1 0 374.573 3.228 10 0 FGAERO CC(=O)N[C@@H]1CCC[N@H+](CCCCOc2cccc(C(F)(F)F)c2)C1 ZINC000079390695 494444782 /nfs/dbraw/zinc/44/47/82/494444782.db2.gz LNAOOWHXTASLOB-MRXNPFEDSA-N 1 0 358.404 3.465 10 0 FGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N(Cc1cccs1)C[C@@H]1CCCO1 ZINC000079495423 494465246 /nfs/dbraw/zinc/46/52/46/494465246.db2.gz DBYZDLZKNTVVCE-IRXDYDNUSA-N 1 0 367.559 3.415 10 0 FGAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)C1 ZINC000056740643 494554586 /nfs/dbraw/zinc/55/45/86/494554586.db2.gz XMDJGGMSLLEURE-LJQANCHMSA-N 1 0 372.513 3.355 10 0 FGAERO Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@@H]2CCOc3ccccc32)o1 ZINC000056793978 494564531 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CCOC(=O)c1ccsc1NC(=O)C[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000121337269 494708716 /nfs/dbraw/zinc/70/87/16/494708716.db2.gz HXMXFMXYQLYNFC-SNVBAGLBSA-N 1 0 368.405 3.492 10 0 FGAERO COc1ccc(NC(=O)NC(=O)C[NH2+][C@H](C)c2ccc(Cl)cc2)cc1 ZINC000025398383 494734229 /nfs/dbraw/zinc/73/42/29/494734229.db2.gz XHESVSGXEOPDBT-GFCCVEGCSA-N 1 0 361.829 3.348 10 0 FGAERO CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2c2ccco2)[C@H](C)C1 ZINC000116433626 494784941 /nfs/dbraw/zinc/78/49/41/494784941.db2.gz SPNIOXOREYKNSH-FGTMMUONSA-N 1 0 363.502 3.263 10 0 FGAERO Cc1nc2sc(-c3ccccc3)cc2c(N2CCO[C@@H](C[NH+](C)C)C2)n1 ZINC000108951803 494810106 /nfs/dbraw/zinc/81/01/06/494810106.db2.gz WZFSREUUFORJGH-INIZCTEOSA-N 1 0 368.506 3.434 10 0 FGAERO O=C(NCC[N@@H+]1CCc2ccccc2C1)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109084905 494829023 /nfs/dbraw/zinc/82/90/23/494829023.db2.gz CLEWUDMANGJBPE-QZTJIDSGSA-N 1 0 356.416 3.243 10 0 FGAERO CC(C)[N@H+]1C[C@H](NC(=O)N(C)Cc2ccc(Br)s2)[C@@H](C)C1 ZINC000132224913 494842133 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Cc1cc(C[N@H+](CCO)[C@@H]2CCCc3ccccc32)ccc1-n1cncn1 ZINC000093388342 494884010 /nfs/dbraw/zinc/88/40/10/494884010.db2.gz VLPIVOADWXFIAS-JOCHJYFZSA-N 1 0 362.477 3.448 10 0 FGAERO CC(C)OC(=O)NCc1ccc(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000117021635 494884644 /nfs/dbraw/zinc/88/46/44/494884644.db2.gz MYKWPFGHLYFKDS-GOSISDBHSA-N 1 0 374.485 3.023 10 0 FGAERO C[C@@H](NC(=O)N1CCO[C@@H](C[NH+](C)C)C1)c1ccc(Cl)c(Cl)c1 ZINC000117025623 494885769 /nfs/dbraw/zinc/88/57/69/494885769.db2.gz PNINKJAXEHPVEC-YPMHNXCESA-N 1 0 360.285 3.026 10 0 FGAERO CC[C@H]1CN(C(=O)Nc2ccc(CSC)cc2)CC[N@@H+]1CCOC ZINC000117453903 494921865 /nfs/dbraw/zinc/92/18/65/494921865.db2.gz YJURUNUTDOEXFI-KRWDZBQOSA-N 1 0 351.516 3.124 10 0 FGAERO O[C@@H]1CCCC[C@H]1[NH+]1CCC(Nc2ccc(-c3ccc(F)cc3)nn2)CC1 ZINC000132838193 494931073 /nfs/dbraw/zinc/93/10/73/494931073.db2.gz YPIOQAKTOFIPHO-WOJBJXKFSA-N 1 0 370.472 3.463 10 0 FGAERO O[C@H]1CCCC[C@@H]1[NH+]1CCC(Nc2ccc(Br)cn2)CC1 ZINC000132934271 494944925 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Cc1cccc(-c2nc(CC(=O)N3C[C@@H]4CCC[N@H+]4C[C@H]3C)cs2)c1 ZINC000247479240 496869044 /nfs/dbraw/zinc/86/90/44/496869044.db2.gz SLWSKYPKXVYOJP-QAPCUYQASA-N 1 0 355.507 3.356 10 0 FGAERO COc1ccc(OCc2nc(CN3C[C@@H]4CCC[N@@H+]4C[C@@H]3C)cs2)cc1 ZINC000247497308 496873473 /nfs/dbraw/zinc/87/34/73/496873473.db2.gz USWADLHJSZZXDS-RDJZCZTQSA-N 1 0 373.522 3.399 10 0 FGAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2cc(Cl)ccc2O[C@@H](C)COC)C1 ZINC000191743550 496874595 /nfs/dbraw/zinc/87/45/95/496874595.db2.gz VANQZVXBUAYOOL-ZFWWWQNUSA-N 1 0 369.893 3.360 10 0 FGAERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(CC(=O)Nc2ccc(Cl)cc2)C1 ZINC000195292805 496878536 /nfs/dbraw/zinc/87/85/36/496878536.db2.gz QCORKVFWKYEQJR-QGZVFWFLSA-N 1 0 372.900 3.127 10 0 FGAERO CCc1csc([C@H]2CCCN(C(=O)NCC[N@@H+](C)[C@H](C)CC)C2)n1 ZINC000247537167 496882947 /nfs/dbraw/zinc/88/29/47/496882947.db2.gz YBVZJIQUUZSMJT-CABCVRRESA-N 1 0 352.548 3.325 10 0 FGAERO CN1CCO[C@H](C[NH2+][C@H](c2ccccc2)c2ccc(OC(F)F)cc2)C1 ZINC000247552965 496887277 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374.447 3.251 10 0 FGAERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000247879098 496924892 /nfs/dbraw/zinc/92/48/92/496924892.db2.gz ZCCMZQLVKCWICA-QRVBRYPASA-N 1 0 358.530 3.355 10 0 FGAERO CCn1cc(C2CC[NH+]([C@@H](C)C(=O)N3CCc4sccc4C3)CC2)cn1 ZINC000195499181 496939535 /nfs/dbraw/zinc/93/95/35/496939535.db2.gz PKUGNHVHPPWBEO-HNNXBMFYSA-N 1 0 372.538 3.117 10 0 FGAERO CN(C(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1)[C@@H]1CCCc2ccccc21 ZINC000247993955 496940309 /nfs/dbraw/zinc/94/03/09/496940309.db2.gz JTGBANLPNFJCCY-CZTZKLFOSA-N 1 0 356.510 3.149 10 0 FGAERO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[NH+]1CCC(c2ccnn2C)CC1 ZINC000195504326 496943193 /nfs/dbraw/zinc/94/31/93/496943193.db2.gz XALLLKIVAVCWRA-OAHLLOKOSA-N 1 0 374.916 3.473 10 0 FGAERO CN(CC(=O)OC(C)(C)C)C1CC[NH+](CCCc2cccc(F)c2)CC1 ZINC000191984054 496953809 /nfs/dbraw/zinc/95/38/09/496953809.db2.gz MWNNATYNVBTCJI-UHFFFAOYSA-N 1 0 364.505 3.496 10 0 FGAERO CCOCC[N@@H+]1CCN(CCOc2ccc(Cl)c(F)c2)C[C@@H]1CC ZINC000192002010 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3.435 10 0 FGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cc(Br)c(F)cc1F ZINC000189129980 497017897 /nfs/dbraw/zinc/01/78/97/497017897.db2.gz RLJKIZPWYMJFBI-NXEZZACHSA-N 1 0 374.229 3.428 10 0 FGAERO CC[N@H+](CC(=O)OC(C)(C)C)C1CCN(c2ccnc(C(C)C)n2)CC1 ZINC000192241157 497045102 /nfs/dbraw/zinc/04/51/02/497045102.db2.gz LCZIYXOIYQSCIT-UHFFFAOYSA-N 1 0 362.518 3.232 10 0 FGAERO CCCCN1CCOC[C@@H]1C(=O)NC[C@@H]1CCCO[C@H]1c1ccc(C)cc1 ZINC000248646679 497070637 /nfs/dbraw/zinc/07/06/37/497070637.db2.gz SFHWZLLLFKSRMH-HBMCJLEFSA-N 1 0 374.525 3.080 10 0 FGAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)Cn3c4ccccc4nc3C3CCCCC3)C[C@H]12 ZINC000248649525 497071208 /nfs/dbraw/zinc/07/12/08/497071208.db2.gz ULKPBPNQKFRWPX-FGTMMUONSA-N 1 0 366.509 3.280 10 0 FGAERO CCCCOc1c(Cl)cc(C(=O)N2CCC[C@@H]2C[NH3+])cc1OCC ZINC000236654671 497127880 /nfs/dbraw/zinc/12/78/80/497127880.db2.gz FVWZLTVTCOHEEM-CQSZACIVSA-N 1 0 354.878 3.481 10 0 FGAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)C12CCOCC2 ZINC000248913254 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358.482 3.300 10 0 FGAERO CCC[C@H]([NH3+])C(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)c(Cl)c1 ZINC000236946710 497170914 /nfs/dbraw/zinc/17/09/14/497170914.db2.gz JDRCEKKPXRMGRA-WBMJQRKESA-N 1 0 351.878 3.421 10 0 FGAERO CCC[C@@H]([NH3+])C(=O)NC[C@@H](c1ccccc1)N1CCc2sccc2C1 ZINC000236960660 497173313 /nfs/dbraw/zinc/17/33/13/497173313.db2.gz OTTLWMAKTZPREB-MSOLQXFVSA-N 1 0 357.523 3.091 10 0 FGAERO Cc1cc(Br)cc(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)c1 ZINC000249151594 497175072 /nfs/dbraw/zinc/17/50/72/497175072.db2.gz XOSYIVXUJSYPDY-DOMZBBRYSA-N 1 0 352.276 3.458 10 0 FGAERO CCO[C@@H]1C[C@H]([NH2+]C[C@](C)(Cc2ccccc2)[C@H](C)O)C12CCOCC2 ZINC000249296017 497189001 /nfs/dbraw/zinc/18/90/01/497189001.db2.gz BYMUALIVWOXDBQ-WJMWBRGCSA-N 1 0 361.526 3.180 10 0 FGAERO CN(CC1(c2ccc(Br)cc2)CC1)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000237190052 497202828 /nfs/dbraw/zinc/20/28/28/497202828.db2.gz AHLCIDVCMHLGOM-SWLSCSKDSA-N 1 0 351.288 3.067 10 0 FGAERO C[NH+](C)[C@@H]1CCN(C(=O)C2(Cc3ccc(OC(F)(F)F)cc3)CC2)C1 ZINC000189699779 497216068 /nfs/dbraw/zinc/21/60/68/497216068.db2.gz BTITYTOCABPLHY-CQSZACIVSA-N 1 0 356.388 3.070 10 0 FGAERO COc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)[C@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000237346113 497223012 /nfs/dbraw/zinc/22/30/12/497223012.db2.gz XVVGYIRJTDBQJK-HQRMLTQVSA-N 1 0 356.441 3.362 10 0 FGAERO O=C1[C@H]([N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)CCCN1c1cccc(F)c1 ZINC000249605752 497228062 /nfs/dbraw/zinc/22/80/62/497228062.db2.gz ZQIKNTASRCFFES-ZYSHUDEJSA-N 1 0 374.481 3.091 10 0 FGAERO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000237529437 497251269 /nfs/dbraw/zinc/25/12/69/497251269.db2.gz CHIROKUYFGERAK-RAIGVLPGSA-N 1 0 357.267 3.153 10 0 FGAERO CC[C@]1(CO)CCC[N@@H+]1C[C@@H](O)COC(c1ccccc1)c1ccccc1 ZINC000251866183 497288002 /nfs/dbraw/zinc/28/80/02/497288002.db2.gz OQJWCLDGBYUTNZ-FYYLOGMGSA-N 1 0 369.505 3.390 10 0 FGAERO C[C@@H]1CCc2ccccc2N1C(=O)C[NH2+][C@H]1CCCC[C@H]1n1cccn1 ZINC000253189343 497323280 /nfs/dbraw/zinc/32/32/80/497323280.db2.gz PBXQIJCWOIOIBV-IMFGXOCKSA-N 1 0 352.482 3.324 10 0 FGAERO C[C@@H]1OCCC[C@H]1C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000253273057 497324749 /nfs/dbraw/zinc/32/47/49/497324749.db2.gz CTPHGSVXCLYMQJ-BMGDILEWSA-N 1 0 350.890 3.408 10 0 FGAERO [NH3+][C@H]1CCC[C@H](C(=O)N(Cc2cccc(Br)c2)C2CC2)C1 ZINC000238030823 497330089 /nfs/dbraw/zinc/33/00/89/497330089.db2.gz NDXCYMOQROQMIM-ZFWWWQNUSA-N 1 0 351.288 3.458 10 0 FGAERO [NH3+]C[C@H]1CCCN1C(=O)CCCSc1ccc(Br)cc1 ZINC000238030924 497330250 /nfs/dbraw/zinc/33/02/50/497330250.db2.gz OYGVSUFULXBDQM-CYBMUJFWSA-N 1 0 357.317 3.271 10 0 FGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(-c2ccccc2)[nH]c1=O ZINC000253548371 497339463 /nfs/dbraw/zinc/33/94/63/497339463.db2.gz GVEXRBFBUICAEB-IRXDYDNUSA-N 1 0 351.450 3.153 10 0 FGAERO CCO[C@H](CNC(=O)N[C@H](C[NH+](C)C)c1ccccc1)c1ccccc1 ZINC000193358543 497360213 /nfs/dbraw/zinc/36/02/13/497360213.db2.gz PDXRLGKNVOQWLU-WOJBJXKFSA-N 1 0 355.482 3.366 10 0 FGAERO 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CC(C)[C@@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)c1ccccc1Cl ZINC000091336185 700419815 /nfs/dbraw/zinc/41/98/15/700419815.db2.gz AKUPAXJQCUVYOL-GOSISDBHSA-N 1 0 372.962 3.136 10 0 FGAERO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]Cc2nc3c(s2)CCC3)C1 ZINC000093066702 700446548 /nfs/dbraw/zinc/44/65/48/700446548.db2.gz YPIPGTAHJDSLCQ-ZDUSSCGKSA-N 1 0 351.516 3.369 10 0 FGAERO c1ccc(Cc2nc3sc4c(c3c(N3CC[NH2+]CC3)n2)CCC4)cc1 ZINC000096205374 700458912 /nfs/dbraw/zinc/45/89/12/700458912.db2.gz SOVSMRITQYNLOK-UHFFFAOYSA-N 1 0 350.491 3.180 10 0 FGAERO C[C@@H](NC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1)c1ccc(Br)cc1 ZINC000111246033 700547237 /nfs/dbraw/zinc/54/72/37/700547237.db2.gz NMKCPXHSBDVKPY-RNCFNFMXSA-N 1 0 365.193 3.168 10 0 FGAERO C[C@@H](NC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1)c1ccccc1Br ZINC000111244225 700547410 /nfs/dbraw/zinc/54/74/10/700547410.db2.gz SAPJHTBQIQZHTJ-NOZJJQNGSA-N 1 0 365.193 3.168 10 0 FGAERO CCOCC[N@@H+]1CCN(C[C@H](O)c2ccc(Cl)cc2Cl)C[C@@H]1C ZINC000134322451 704820538 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CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1[NH2+]Cc1nc(C(C)(C)C)no1 ZINC000185297190 712691188 /nfs/dbraw/zinc/69/11/88/712691188.db2.gz LVNJZPSLJWGPJH-CHWSQXEVSA-N 1 0 352.479 3.150 10 0 FGAERO COc1ccc(C[N@@H+]2CCC[C@H]2Cn2ccnc2)cc1Br ZINC000188412560 712768992 /nfs/dbraw/zinc/76/89/92/712768992.db2.gz XJGDLVPSQPCOHQ-AWEZNQCLSA-N 1 0 350.260 3.319 10 0 FGAERO CC[C@@H]([NH2+]CCc1ccnn1C)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000188709964 712775574 /nfs/dbraw/zinc/77/55/74/712775574.db2.gz AYUXHDOPYQLXQC-IAGOWNOFSA-N 1 0 350.507 3.120 10 0 FGAERO CC[N@H+](CC(=O)OC(C)(C)C)C1CCN(Cc2ccnc(Cl)c2)CC1 ZINC000190349478 712812383 /nfs/dbraw/zinc/81/23/83/712812383.db2.gz YDWBHAYWWNDMII-UHFFFAOYSA-N 1 0 367.921 3.363 10 0 FGAERO CC(C)N(C)c1ccc(C[NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C)cn1 ZINC000190962451 712827756 /nfs/dbraw/zinc/82/77/56/712827756.db2.gz YUAXHHWROCRYKG-OAHLLOKOSA-N 1 0 350.507 3.319 10 0 FGAERO COC(=O)C1CCC([NH2+][C@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000192443627 712862819 /nfs/dbraw/zinc/86/28/19/712862819.db2.gz BFZTYEYKIFGVLF-GRAKBVBRSA-N 1 0 354.491 3.001 10 0 FGAERO COc1cccc(C[NH2+]C[C@@H](c2cccs2)N2CCO[C@H](C)C2)c1F ZINC000192680836 712870709 /nfs/dbraw/zinc/87/07/09/712870709.db2.gz CHOFBGBPAKMDRI-ZBFHGGJFSA-N 1 0 364.486 3.447 10 0 FGAERO O=S(=O)(/C=C/c1ccccc1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192982064 712879729 /nfs/dbraw/zinc/87/97/29/712879729.db2.gz NGZUGOUSTDPJMF-CMQXMCPJSA-N 1 0 356.491 3.099 10 0 FGAERO CC(C)Oc1cc(Br)cc(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)c1 ZINC000193528960 712894580 /nfs/dbraw/zinc/89/45/80/712894580.db2.gz ODRJGHGZRXCHAV-XHDPSFHLSA-N 1 0 355.276 3.107 10 0 FGAERO C[C@@H]([NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)s1 ZINC000194360602 713520012 /nfs/dbraw/zinc/52/00/12/713520012.db2.gz GNGKRPOTAMEYDN-ZWNOBZJWSA-N 1 0 359.900 3.189 10 0 FGAERO O=C(CCn1ncc2ccc(Cl)cc21)NCC1(C[NH+]2CCCC2)CC1 ZINC000223548008 713570735 /nfs/dbraw/zinc/57/07/35/713570735.db2.gz DDEGJBWIJFZNLX-UHFFFAOYSA-N 1 0 360.889 3.072 10 0 FGAERO COC1CC([NH2+]Cc2cc(Br)c([O-])c(Br)c2)C1 ZINC000234698586 713579973 /nfs/dbraw/zinc/57/99/73/713579973.db2.gz YESJXJUXSCTQPJ-UHFFFAOYSA-N 1 0 365.065 3.184 10 0 FGAERO CC(C)[C@@H](C[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)N1CCCC1 ZINC000236692688 713582359 /nfs/dbraw/zinc/58/23/59/713582359.db2.gz ABKZMSRWOZZTPR-QZTJIDSGSA-N 1 0 353.551 3.344 10 0 FGAERO Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000237848775 713597890 /nfs/dbraw/zinc/59/78/90/713597890.db2.gz VFPOLUZZJCWIRD-KOLCDFICSA-N 1 0 357.401 3.481 10 0 FGAERO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@H]1CCCC[C@H]1CO ZINC000248180854 713646566 /nfs/dbraw/zinc/64/65/66/713646566.db2.gz WKSJHHUKRPOKJA-HFTRVMKXSA-N 1 0 352.906 3.218 10 0 FGAERO CC(C)(CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1cccc(Br)c1 ZINC000261631280 713711947 /nfs/dbraw/zinc/71/19/47/713711947.db2.gz BWBPBQIPXXKDBB-IUODEOHRSA-N 1 0 353.304 3.218 10 0 FGAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N(Cc1cc(Br)ccc1F)C1CC1 ZINC000261661514 713712539 /nfs/dbraw/zinc/71/25/39/713712539.db2.gz FEQXFBJUDYACDI-IAQYHMDHSA-N 1 0 369.278 3.454 10 0 FGAERO CC[N@H+](CC(=O)[O-])C1CC(NCc2ccc(SC(F)(F)F)cc2)C1 ZINC000263489346 713747331 /nfs/dbraw/zinc/74/73/31/713747331.db2.gz ICCNCXWXLXKWOY-UHFFFAOYSA-N 1 0 362.417 3.326 10 0 FGAERO O=C([O-])C[N@H+](CC1CC1)C1CC([NH2+]CCCc2c(F)cccc2Cl)C1 ZINC000263532204 713748787 /nfs/dbraw/zinc/74/87/87/713748787.db2.gz XDZBWNVKAGYFJN-UHFFFAOYSA-N 1 0 368.880 3.329 10 0 FGAERO O=C([O-])c1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)s1 ZINC000311079374 713801380 /nfs/dbraw/zinc/80/13/80/713801380.db2.gz LMYXRFIXFRJOBY-CGTJXYLNSA-N 1 0 356.491 3.447 10 0 FGAERO CC(C)(C)OC(=O)N1C[C@@H](C[NH2+]C2CCC(C(C)(C)C)CC2)[C@H](O)C1 ZINC000702763130 722410629 /nfs/dbraw/zinc/41/06/29/722410629.db2.gz MLRMFNUIHGAAMU-RDHHWEPZSA-N 1 0 354.535 3.409 10 0 FGAERO CSc1ccc([C@H](C)[NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)cc1 ZINC000702765702 722410705 /nfs/dbraw/zinc/41/07/05/722410705.db2.gz DHNXXTFPBRAAHA-QRTARXTBSA-N 1 0 366.527 3.287 10 0 FGAERO C[C@H]([NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)c1ccc(Cl)c(F)c1 ZINC000702770744 722410840 /nfs/dbraw/zinc/41/08/40/722410840.db2.gz QFDVDRSNSNIDKE-RBOXIYTFSA-N 1 0 372.868 3.358 10 0 FGAERO CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](C[NH2+][C@H]2CCSc3ccccc32)C1 ZINC000705673210 722411780 /nfs/dbraw/zinc/41/17/80/722411780.db2.gz GGATUMCZLPMRHP-BPUTZDHNSA-N 1 0 364.511 3.041 10 0 FGAERO COCC1CC([NH2+]Cc2ncc(Br)cc2Br)C1 ZINC000713977250 722414960 /nfs/dbraw/zinc/41/49/60/722414960.db2.gz DFJKCZZXJCWQML-UHFFFAOYSA-N 1 0 364.081 3.121 10 0 FGAERO CCn1nc(C)c([C@@H](C)[NH2+]CC2CC(NC(=O)OC(C)(C)C)C2)c1C ZINC000715155502 722415759 /nfs/dbraw/zinc/41/57/59/722415759.db2.gz UBPFQMVBTCEWOK-UWTIGNOOSA-N 1 0 350.507 3.474 10 0 FGAERO [NH3+]C[C@@H]1CN(c2ncc(Br)cc2Cl)C[C@@H]1C(F)(F)F ZINC000720792057 722419484 /nfs/dbraw/zinc/41/94/84/722419484.db2.gz BXLINYGPSXXTOE-SVRRBLITSA-N 1 0 358.589 3.071 10 0 FGAERO C[C@H]([NH2+]C[C@@H]1CC[C@@H](C(F)(F)F)O1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000722393005 722420308 /nfs/dbraw/zinc/42/03/08/722420308.db2.gz FWAPNOVSLQVNLK-CRWXNKLISA-N 1 0 366.424 3.331 10 0 FGAERO Cc1nc([C@H]2C[C@@H](O)[C@@H](C[NH2+]Cc3ccc(Cl)cc3Cl)C2)n[nH]1 ZINC000888076175 739469564 /nfs/dbraw/zinc/46/95/64/739469564.db2.gz DKBPLZHUXPECKU-LALPHHSUSA-N 1 0 355.269 3.064 10 0 FGAERO CC(C)C(=O)Oc1cc(OC(=O)C(C)C)cc([C@@H](O)C[NH2+]C(C)(C)C)c1 ZINC000003643738 204109350 /nfs/dbraw/zinc/10/93/50/204109350.db2.gz WKHOPHIMYDJVSA-KRWDZBQOSA-N 1 0 365.470 3.231 10 0 in-man FGAERO CC[NH+](CC)[C@@H](C)CNS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000032072774 204923651 /nfs/dbraw/zinc/92/36/51/204923651.db2.gz DDXLDMWUPZCIIW-JTQLQIEISA-N 1 0 372.840 3.367 10 0 FGAERO COc1ccc(C[N@H+](C[C@@H](O)COCc2ccco2)C(C)C)cc1OC ZINC000036095790 205003187 /nfs/dbraw/zinc/00/31/87/205003187.db2.gz CCAMBCXMPJBCGY-QGZVFWFLSA-N 1 0 363.454 3.085 10 0 FGAERO CC[C@H](O)C[N@H+](CCc1nc(-c2ccc(C)cc2)no1)Cc1ccco1 ZINC000036147373 205007464 /nfs/dbraw/zinc/00/74/64/205007464.db2.gz AZOQCDZWDXIOFS-KRWDZBQOSA-N 1 0 355.438 3.454 10 0 FGAERO COc1ccc([C@H]([NH3+])c2ccc(I)cc2)c(F)c1 ZINC000036766552 205022735 /nfs/dbraw/zinc/02/27/35/205022735.db2.gz BAWKRXMEBGOOIC-CQSZACIVSA-N 1 0 357.166 3.487 10 0 FGAERO COc1ccc2nc(Nc3nc[nH+]c(NNC(C)(C)C)c3N)sc2c1 ZINC000040784284 205081827 /nfs/dbraw/zinc/08/18/27/205081827.db2.gz KQBFEGHZYOIYIO-UHFFFAOYSA-N 1 0 359.459 3.136 10 0 FGAERO C[C@H]1Sc2ccc(C(=O)N[C@H](C[NH+](C)C)c3ccccc3)cc2NC1=O ZINC000052555103 205185603 /nfs/dbraw/zinc/18/56/03/205185603.db2.gz BBUJRVJWSLHAJG-CXAGYDPISA-N 1 0 369.490 3.152 10 0 FGAERO CCC[C@@]1(C(=O)Nc2ccc(I)cc2)CC[NH2+]C1 ZINC000062890081 205292481 /nfs/dbraw/zinc/29/24/81/205292481.db2.gz ZXULGZYFBQYSHF-CQSZACIVSA-N 1 0 358.223 3.010 10 0 FGAERO Oc1cc(-c2ccc(Cl)cn2)cc2c1OCCN(CC[NH+]1CCCC1)C2 ZINC000067447333 205372276 /nfs/dbraw/zinc/37/22/76/205372276.db2.gz FVSLCUAISMHZKJ-UHFFFAOYSA-N 1 0 373.884 3.398 10 0 FGAERO COc1ccc2[nH]c(CNc3cc(C4CC[NH2+]CC4)nc(C)n3)cc2c1 ZINC000067818167 205394007 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CC(C)NC(=O)c1ccc(NC(=O)N[C@H](C[NH+](C)C)c2ccccc2)cc1 ZINC000048105735 493786192 /nfs/dbraw/zinc/78/61/92/493786192.db2.gz MCJVAJIFNPEDIE-LJQANCHMSA-N 1 0 368.481 3.249 10 0 FGAERO O[C@H](C[C@H]1CCC[N@H+]1C[C@H](O)COCc1cccs1)c1ccccc1 ZINC000076075028 493816919 /nfs/dbraw/zinc/81/69/19/493816919.db2.gz TWRQKIDCYAZAEY-WSTZPKSXSA-N 1 0 361.507 3.214 10 0 FGAERO CC(C)NC(=O)Nc1ccc(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)cc1 ZINC000048399852 493826587 /nfs/dbraw/zinc/82/65/87/493826587.db2.gz BIQXTCQIDFIRQA-IBGZPJMESA-N 1 0 368.481 3.249 10 0 FGAERO C[C@@H](NC(=O)NCCCC[NH+]1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000049788087 493884994 /nfs/dbraw/zinc/88/49/94/493884994.db2.gz APLGUIAKOOLWBL-CYBMUJFWSA-N 1 0 374.312 3.466 10 0 FGAERO CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000069179732 493933559 /nfs/dbraw/zinc/93/35/59/493933559.db2.gz ZFPVEQJRLVJBNO-PKOBYXMFSA-N 1 0 373.541 3.212 10 0 FGAERO CC(C)c1cc(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)nn1C ZINC000081932682 493968643 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COc1cc([C@@H](C)[NH2+][C@H]2CCc3ncnn3C2)ccc1SC(F)F ZINC000180600451 496062429 /nfs/dbraw/zinc/06/24/29/496062429.db2.gz AOSUVERXGLPCNF-PWSUYJOCSA-N 1 0 354.426 3.267 10 0 FGAERO CC[C@H](Sc1ccccc1)C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000177446125 496064852 /nfs/dbraw/zinc/06/48/52/496064852.db2.gz JUOYLTDJXIRFFO-LPHOPBHVSA-N 1 0 364.555 3.109 10 0 FGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(Br)s1)CC2 ZINC000180608916 496066819 /nfs/dbraw/zinc/06/68/19/496066819.db2.gz GKNCKDJHSRXWME-NXEZZACHSA-N 1 0 355.305 3.330 10 0 FGAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(Br)s1)CC2 ZINC000180608897 496067218 /nfs/dbraw/zinc/06/72/18/496067218.db2.gz GKNCKDJHSRXWME-UWVGGRQHSA-N 1 0 355.305 3.330 10 0 FGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CCCc2nc(-c3ccc(F)cc3)no2)C1 ZINC000155785558 496067662 /nfs/dbraw/zinc/06/76/62/496067662.db2.gz CNRSTIMJIURVQY-PBHICJAKSA-N 1 0 374.460 3.043 10 0 FGAERO CN(CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)C(=O)Cc1ccsc1 ZINC000177461473 496070017 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COCCOc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)c(Cl)c1 ZINC000186625426 496079179 /nfs/dbraw/zinc/07/91/79/496079179.db2.gz DETSJJOTKFSIOR-OAHLLOKOSA-N 1 0 368.905 3.215 10 0 FGAERO O=C(NCc1ccc(OCc2ccccc2)cc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171900396 496083419 /nfs/dbraw/zinc/08/34/19/496083419.db2.gz PILGIQZYDPBNNF-FQEVSTJZSA-N 1 0 365.477 3.255 10 0 FGAERO CCOCC[N@@H+]1CCN(c2nc(-c3cccnc3)nc(C)c2C)C[C@@H]1CC ZINC000174737761 496083353 /nfs/dbraw/zinc/08/33/53/496083353.db2.gz SVLQBWFNTCBESL-IBGZPJMESA-N 1 0 369.513 3.093 10 0 FGAERO COc1ccc([C@H](C)[NH2+][C@H]2CCc3nc(C(C)C)nn3C2)cc1NC(C)=O ZINC000180646413 496084510 /nfs/dbraw/zinc/08/45/10/496084510.db2.gz VPMZKAIIVSRGQH-BBRMVZONSA-N 1 0 371.485 3.034 10 0 FGAERO O=C(c1cccc(C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)c1)N1CCCCC1 ZINC000152228008 496086906 /nfs/dbraw/zinc/08/69/06/496086906.db2.gz IKLSTRYJLMYUSH-OAQYLSRUSA-N 1 0 365.477 3.361 10 0 FGAERO COc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3nc(C(C)C)nn3C1)CCCO2 ZINC000180651302 496087583 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ZINC000172502888 705421055 /nfs/dbraw/zinc/42/10/55/705421055.db2.gz MLXCPSJRORTBGF-CQSZACIVSA-N 1 0 366.296 3.298 10 0 FGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(Cl)nc(N2CCCC2)c1 ZINC000174976689 705527523 /nfs/dbraw/zinc/52/75/23/705527523.db2.gz LFFWRQJDVYTCJZ-HZPDHXFCSA-N 1 0 362.905 3.034 10 0 FGAERO CC[C@H]1CN(Cc2cccc(SC(=O)N(C)C)c2)CC[N@@H+]1CCOC ZINC000176917298 705596693 /nfs/dbraw/zinc/59/66/93/705596693.db2.gz WFLIRZSXXPCKIG-KRWDZBQOSA-N 1 0 365.543 3.003 10 0 FGAERO C[C@@H](NC(=O)C1([NH3+])Cc2ccccc2C1)c1ccc(Br)cc1 ZINC000178462115 705665513 /nfs/dbraw/zinc/66/55/13/705665513.db2.gz FDQOICAYYFOSAK-GFCCVEGCSA-N 1 0 359.267 3.123 10 0 FGAERO COc1ccc2nc(Cl)c(C(=O)N[C@H]3C[N@@H+](C(C)C)C[C@H]3C)cc2c1 ZINC000180244180 705733290 /nfs/dbraw/zinc/73/32/90/705733290.db2.gz NKJBMGSMRPFXHC-PXAZEXFGSA-N 1 0 361.873 3.355 10 0 FGAERO Cc1ccc([C@H](C)[NH2+]CCOc2cccc(S(C)(=O)=O)c2)cc1F ZINC000181368637 705790230 /nfs/dbraw/zinc/79/02/30/705790230.db2.gz IZXFCRUCCPIFIN-AWEZNQCLSA-N 1 0 351.443 3.267 10 0 FGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(Br)nc1C ZINC000182154313 705828082 /nfs/dbraw/zinc/82/80/82/705828082.db2.gz BLRAVSOVLMKSMB-CHWSQXEVSA-N 1 0 367.291 3.243 10 0 FGAERO Cc1cc(NC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)cnc1Br ZINC000182438879 705842427 /nfs/dbraw/zinc/84/24/27/705842427.db2.gz RUNNRNGFDPXOGM-WCQYABFASA-N 1 0 355.280 3.003 10 0 FGAERO C[C@@H]([NH2+][C@H](C)c1ccc(Cl)s1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000183021118 705874593 /nfs/dbraw/zinc/87/45/93/705874593.db2.gz JORWHOAJHFTZMC-RKDXNWHRSA-N 1 0 364.858 3.249 10 0 FGAERO CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000183155598 705879312 /nfs/dbraw/zinc/87/93/12/705879312.db2.gz MMVPWOLQXUEIOM-JKSUJKDBSA-N 1 0 355.523 3.061 10 0 FGAERO CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000183155582 705879421 /nfs/dbraw/zinc/87/94/21/705879421.db2.gz MMVPWOLQXUEIOM-HOTGVXAUSA-N 1 0 355.523 3.061 10 0 FGAERO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+][C@@H](CN(C)C)c2ccccc2)cc1 ZINC000184904794 712678468 /nfs/dbraw/zinc/67/84/68/712678468.db2.gz PHUCZKHNIDVEJH-XLIONFOSSA-N 1 0 360.523 3.050 10 0 FGAERO COc1c(Br)cccc1C[N@@H+]1CCC[C@@H]1Cn1ccnc1 ZINC000188404800 712769199 /nfs/dbraw/zinc/76/91/99/712769199.db2.gz RJWZJHMCPVGYPC-CQSZACIVSA-N 1 0 350.260 3.319 10 0 FGAERO CN(CC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2ccc(Cl)nc2)CC1 ZINC000190492466 712816105 /nfs/dbraw/zinc/81/61/05/712816105.db2.gz LMJYQLUUCQLCCW-INIZCTEOSA-N 1 0 367.921 3.363 10 0 FGAERO O=C(NC[C@@H]1CCCS1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000192231121 712854723 /nfs/dbraw/zinc/85/47/23/712854723.db2.gz ISBBYCNQRTVYBB-ARFHVFGLSA-N 1 0 372.456 3.309 10 0 FGAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1ccc(Sc2ccccc2Cl)nn1 ZINC000193643069 713493328 /nfs/dbraw/zinc/49/33/28/713493328.db2.gz QXQRGIVTYZZIMJ-DGCLKSJQSA-N 1 0 362.886 3.152 10 0 FGAERO C[NH2+]CCc1noc(-c2cc(Br)sc2Br)n1 ZINC000234390139 713579848 /nfs/dbraw/zinc/57/98/48/713579848.db2.gz GWGHWSBRIDAGTR-UHFFFAOYSA-N 1 0 367.066 3.085 10 0 FGAERO Cc1c2cc(Br)ccc2oc1C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000237848574 713598055 /nfs/dbraw/zinc/59/80/55/713598055.db2.gz OBRXELXVQUXGBT-MFKMUULPSA-N 1 0 351.244 3.361 10 0 FGAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 ZINC000238043062 713600452 /nfs/dbraw/zinc/60/04/52/713600452.db2.gz SIBUWCIOFYDJQK-KBXCAEBGSA-N 1 0 356.853 3.428 10 0 FGAERO Cc1nn(CN2C[C@@H]3CCC[N@H+]3C[C@H]2C)c(=S)n1-c1ccccc1C ZINC000246887135 713632319 /nfs/dbraw/zinc/63/23/19/713632319.db2.gz BGWIUKZSNYLAPT-WBVHZDCISA-N 1 0 357.527 3.146 10 0 FGAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@H](O)c2c(Cl)cccc2Cl)C1 ZINC000247455257 713640992 /nfs/dbraw/zinc/64/09/92/713640992.db2.gz TVXKCEJKMRUOQL-DFBGVHRSSA-N 1 0 374.312 3.055 10 0 FGAERO CC(C)(C)OC(=O)N1CCC[C@H](C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)C1 ZINC000248157188 713646796 /nfs/dbraw/zinc/64/67/96/713646796.db2.gz RMTJXVPFIFLSPO-FUHIMQAGSA-N 1 0 352.519 3.261 10 0 FGAERO Cc1c(Cl)cnn1CN1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000248649576 713655512 /nfs/dbraw/zinc/65/55/12/713655512.db2.gz UMQTYIYZXJLTAY-GZBFAFLISA-N 1 0 354.882 3.038 10 0 FGAERO CC(C)(C)OC(=O)N1CC[C@](C)(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)C1 ZINC000248672458 713656396 /nfs/dbraw/zinc/65/63/96/713656396.db2.gz UURDWOBOLXDVQW-AHRSYUTCSA-N 1 0 352.519 3.261 10 0 FGAERO CC[C@H](Cc1cccc(Br)c1)C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000248878199 713660660 /nfs/dbraw/zinc/66/06/60/713660660.db2.gz ROKBUFOKUAPJBI-JGGQBBKZSA-N 1 0 353.304 3.275 10 0 FGAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CCC[C@H]1c1cccc(Br)c1 ZINC000252695500 713673733 /nfs/dbraw/zinc/67/37/33/713673733.db2.gz CYHYEPZFERFBLB-BPUTZDHNSA-N 1 0 351.288 3.488 10 0 FGAERO [NH3+][C@@H]1CCC[C@H]2CN(c3ncc(Br)cc3C(F)(F)F)C[C@H]21 ZINC000261597306 713711483 /nfs/dbraw/zinc/71/14/83/713711483.db2.gz NMONFINCIDONGY-MKPLZMMCSA-N 1 0 364.209 3.427 10 0 FGAERO C[C@H](OCc1ccccc1)C(=O)N1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000261615484 713711916 /nfs/dbraw/zinc/71/19/16/713711916.db2.gz BQGDMWTWXMPPQL-KXBFYZLASA-N 1 0 358.869 3.418 10 0 FGAERO C[C@@H]([NH3+])CC(=O)Nc1ncc(Cc2cccc(Br)c2)s1 ZINC000261897506 713715810 /nfs/dbraw/zinc/71/58/10/713715810.db2.gz USFHTJVAYDIRMC-SECBINFHSA-N 1 0 354.273 3.172 10 0 FGAERO O=C([O-])c1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)s1 ZINC000311079376 713801606 /nfs/dbraw/zinc/80/16/06/713801606.db2.gz LMYXRFIXFRJOBY-KBAYOESNSA-N 1 0 356.491 3.447 10 0 FGAERO [NH3+]C[C@H]1CN(c2ncc(Cl)cc2Br)CC[C@H]1C(F)(F)F ZINC000630090349 716388061 /nfs/dbraw/zinc/38/80/61/716388061.db2.gz BVYVZMQDEPJGOW-IONNQARKSA-N 1 0 372.616 3.461 10 0 FGAERO C[C@H]([NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)c1ccc(F)cc1Cl ZINC000702767890 722410865 /nfs/dbraw/zinc/41/08/65/722410865.db2.gz KDJOYHWHGVXGRZ-MQIPJXDCSA-N 1 0 372.868 3.358 10 0 FGAERO CC[C@H]([NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)c1cccc(F)c1 ZINC000705673515 722411737 /nfs/dbraw/zinc/41/17/37/722411737.db2.gz QMRGUUCSDABSBI-HYVNUMGLSA-N 1 0 352.450 3.094 10 0 FGAERO C[C@@H](c1cccc(Br)c1)N1CCc2sc(C[NH3+])nc2C1 ZINC000710242804 722413516 /nfs/dbraw/zinc/41/35/16/722413516.db2.gz YGYAVZXKITUEEL-JTQLQIEISA-N 1 0 352.301 3.484 10 0 FGAERO COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[C@@H](C(F)(F)F)N(C(C)=O)C2)cc1 ZINC000886031755 739210130 /nfs/dbraw/zinc/21/01/30/739210130.db2.gz SGQYMYMJHMLWRV-MJEQTWJJSA-N 1 0 358.404 3.158 10 0 FGAERO COc1ccccc1/C=C/C[NH2+][C@@H]1CC[C@@H](C(F)(F)F)N(C(C)=O)C1 ZINC000886036520 739210952 /nfs/dbraw/zinc/21/09/52/739210952.db2.gz JFERXBIPEMVJPW-XUXNBKRGSA-N 1 0 356.388 3.240 10 0 FGAERO CN(C(=O)Cc1ccccc1)[C@@H]1CC[C@]2(CCCO2)C[C@H]1[NH+]1CCCC1 ZINC000002559950 204043462 /nfs/dbraw/zinc/04/34/62/204043462.db2.gz PGZRDDYTKFZSFR-KCZVDYSFSA-N 1 0 356.510 3.254 10 0 FGAERO CC(C)C(=O)NC[C@@H]1CCC2(CC[NH+](CCCc3ccccc3)CC2)O1 ZINC000012040551 204427472 /nfs/dbraw/zinc/42/74/72/204427472.db2.gz QIHZDRVQCBRZAR-FQEVSTJZSA-N 1 0 358.526 3.405 10 0 FGAERO Cc1ccc(C[N@H+](C[C@H](O)COCc2ccco2)C[C@H]2CCCO2)cc1 ZINC000036030935 205001404 /nfs/dbraw/zinc/00/14/04/205001404.db2.gz MLBBQOLBAIZAII-VQTJNVASSA-N 1 0 359.466 3.147 10 0 FGAERO O=C(C[NH2+]CC1CC1)Nc1ccc(Br)cc1Br ZINC000037612793 205028741 /nfs/dbraw/zinc/02/87/41/205028741.db2.gz BRWKCWKLRRXVQI-UHFFFAOYSA-N 1 0 362.065 3.150 10 0 FGAERO Cc1cccc(-c2ncc(C[NH2+]CCc3nc(-c4cccnc4)no3)cn2)c1 ZINC000055342883 205215313 /nfs/dbraw/zinc/21/53/13/205215313.db2.gz APFANNCPBMXSFN-UHFFFAOYSA-N 1 0 372.432 3.229 10 0 FGAERO CC[C@@H](CO)[N@H+](Cc1c[nH]nc1-c1ccc(F)cc1)Cc1ccncc1 ZINC000055368695 205215623 /nfs/dbraw/zinc/21/56/23/205215623.db2.gz LUAQEYYICRYQAD-IBGZPJMESA-N 1 0 354.429 3.384 10 0 FGAERO COCC[NH+]1CCC(c2c(-c3ccccc3)ncn2CC[C@@H](C)CO)CC1 ZINC000065461424 205352100 /nfs/dbraw/zinc/35/21/00/205352100.db2.gz CWWVQJLTAWAVPN-GOSISDBHSA-N 1 0 371.525 3.394 10 0 FGAERO COc1ccc([C@@H](C)[NH2+]Cc2c(C)n(CC(N)=O)c3ccccc23)cc1 ZINC000067674108 205381122 /nfs/dbraw/zinc/38/11/22/205381122.db2.gz ZMDQXDOPUISAJR-CQSZACIVSA-N 1 0 351.450 3.294 10 0 FGAERO COc1ccc2[nH]cc(CC(=O)N[C@H](C[NH+](C)C)c3ccccc3)c2c1 ZINC000097295683 205904039 /nfs/dbraw/zinc/90/40/39/205904039.db2.gz UJYZHKRMWIGJGG-HXUWFJFHSA-N 1 0 351.450 3.138 10 0 FGAERO CCOc1ccccc1C(=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190587002 257369294 /nfs/dbraw/zinc/36/92/94/257369294.db2.gz FGCKEJHMPIKWQL-GOSISDBHSA-N 1 0 353.466 3.074 10 0 FGAERO C[NH+]1CCN(c2ccc(N)cc2NC(=O)c2cc3ccccc3o2)CC1 ZINC000226260903 132374807 /nfs/dbraw/zinc/37/48/07/132374807.db2.gz FHXYMYBHWLXGFZ-UHFFFAOYSA-N 1 0 350.422 3.019 10 0 FGAERO c1ccc(N2CCC(C[NH+]3CCCCC3)CC2)c(CN2CCOCC2)c1 ZINC000034136343 132377952 /nfs/dbraw/zinc/37/79/52/132377952.db2.gz YDNBOQKWNWPBCE-UHFFFAOYSA-N 1 0 357.542 3.221 10 0 FGAERO COc1ccc(-c2cnc(CN3CCC([N@@H+]4CCO[C@@H](C)C4)CC3)o2)cc1 ZINC000068481187 493827808 /nfs/dbraw/zinc/82/78/08/493827808.db2.gz ODKFINDKMJZGNK-INIZCTEOSA-N 1 0 371.481 3.035 10 0 FGAERO CC[N@@H+]1CCC[C@H](NC(=O)N(C)Cc2ccccc2OC(F)(F)F)C1 ZINC000052592657 494045058 /nfs/dbraw/zinc/04/50/58/494045058.db2.gz FYOLUVKLTXXITM-AWEZNQCLSA-N 1 0 359.392 3.211 10 0 FGAERO C[NH+](C)C[C@H](NC(=O)Cc1ccc(Br)cc1)c1ccccc1 ZINC000007816792 494045424 /nfs/dbraw/zinc/04/54/24/494045424.db2.gz LHMWQLIQOZKUJY-KRWDZBQOSA-N 1 0 361.283 3.411 10 0 FGAERO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccnc1Cl)c1ccc2c(c1)OCCO2 ZINC000052658464 494050918 /nfs/dbraw/zinc/05/09/18/494050918.db2.gz UNGPMJXOWKJUEP-NEPJUHHUSA-N 1 0 361.829 3.184 10 0 FGAERO Cc1ccc([C@@H]2CN(C(=O)c3noc4c3CCCC4)C[C@H]2[NH+](C)C)cc1 ZINC000077301673 494051758 /nfs/dbraw/zinc/05/17/58/494051758.db2.gz GILNXSSGDRMZRR-ZWKOTPCHSA-N 1 0 353.466 3.032 10 0 FGAERO COc1ccc([C@@H]([NH3+])c2ccc(I)cc2)cc1OC ZINC000034957799 494071285 /nfs/dbraw/zinc/07/12/85/494071285.db2.gz PHKHSEAXDTYVHP-HNNXBMFYSA-N 1 0 369.202 3.357 10 0 FGAERO CCOc1c(Br)cc(C[NH2+][C@H]2CCC[C@@H](O)C2)cc1OC ZINC000037166117 494102857 /nfs/dbraw/zinc/10/28/57/494102857.db2.gz FYVQEXXAGLQSRE-QWHCGFSZSA-N 1 0 358.276 3.250 10 0 FGAERO CCc1ccc([C@H](C)NC(=O)N2CC[NH+](CC3CCOCC3)CC2)cc1 ZINC000077543609 494110100 /nfs/dbraw/zinc/11/01/00/494110100.db2.gz WJHBUAVKHPEPMS-KRWDZBQOSA-N 1 0 359.514 3.064 10 0 FGAERO Cc1ccc([C@H](C)[NH2+]C[C@H](O)COc2ccc(Br)cc2)o1 ZINC000037980928 494110760 /nfs/dbraw/zinc/11/07/60/494110760.db2.gz MKLFHQGWWKPEOH-JSGCOSHPSA-N 1 0 354.244 3.441 10 0 FGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000077729924 494160189 /nfs/dbraw/zinc/16/01/89/494160189.db2.gz XRWLTVJAQXUBDA-IEBWSBKVSA-N 1 0 374.529 3.023 10 0 FGAERO Cc1ccccc1[C@@H](C)NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000053757520 494163986 /nfs/dbraw/zinc/16/39/86/494163986.db2.gz GYWJCPZKSDPABV-GOSISDBHSA-N 1 0 351.494 3.233 10 0 FGAERO CC(C)C[NH+]1CCC(Nc2cnn(-c3ccccc3)c(=O)c2Cl)CC1 ZINC000041817250 494180851 /nfs/dbraw/zinc/18/08/51/494180851.db2.gz WXQRDPSWGDFHAI-UHFFFAOYSA-N 1 0 360.889 3.418 10 0 FGAERO Cc1csc2nc(C[N@@H+]3CCC[C@H]3C[C@H](O)c3ccccc3)cc(=O)n12 ZINC000072867064 494271604 /nfs/dbraw/zinc/27/16/04/494271604.db2.gz YMLPCQOCQXSDTH-ROUUACIJSA-N 1 0 369.490 3.153 10 0 FGAERO CC(C)Cn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([NH+]1CCCCC1)C2 ZINC000014755814 494324452 /nfs/dbraw/zinc/32/44/52/494324452.db2.gz PBKDPBSZPGZEDH-KRWDZBQOSA-N 1 0 358.530 3.118 10 0 FGAERO Cc1cccc(N2CC[NH+](C[C@H](O)COCc3ccc(Cl)cc3)CC2)c1 ZINC000073125053 494325461 /nfs/dbraw/zinc/32/54/61/494325461.db2.gz JXVIPDZDGAOBGX-NRFANRHFSA-N 1 0 374.912 3.348 10 0 FGAERO CSCCC[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccc(F)cc1)C2=O ZINC000014962937 494331422 /nfs/dbraw/zinc/33/14/22/494331422.db2.gz GZPLOKRIVPFACK-LJQANCHMSA-N 1 0 350.503 3.393 10 0 FGAERO CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000089732806 494350735 /nfs/dbraw/zinc/35/07/35/494350735.db2.gz VXIQOZSPBGZLKS-QZTJIDSGSA-N 1 0 370.497 3.074 10 0 FGAERO CC(C)(C)OC(=O)N1CCC(=O)C2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC000079034222 494394767 /nfs/dbraw/zinc/39/47/67/494394767.db2.gz WZRARNVPMCRKLL-UHFFFAOYSA-N 1 0 358.482 3.479 10 0 FGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NCc1ccc(NC(=O)C(C)C)cc1 ZINC000079090908 494403065 /nfs/dbraw/zinc/40/30/65/494403065.db2.gz XCZSDBSYJPBRLM-GOSISDBHSA-N 1 0 362.518 3.057 10 0 FGAERO COc1ccc(CNC(=O)N[C@H](CC(C)C)C[NH+](C)C)cc1OC(F)F ZINC000079211148 494419158 /nfs/dbraw/zinc/41/91/58/494419158.db2.gz VAMLGCKSHILLRL-CQSZACIVSA-N 1 0 373.444 3.072 10 0 FGAERO COc1cnc2c(c1)CCc1cc(Cl)ccc1[C@@]2(O)C1CC[NH+](C)CC1 ZINC000022054679 494513460 /nfs/dbraw/zinc/51/34/60/494513460.db2.gz RMNIHJQGNNEPGE-NRFANRHFSA-N 1 0 372.896 3.420 10 0 in-vitro FGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000067391149 494529979 /nfs/dbraw/zinc/52/99/79/494529979.db2.gz LZWLNNQSIKOEOP-CRAIPNDOSA-N 1 0 369.456 3.024 10 0 FGAERO C[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CCS1 ZINC000074539127 494556265 /nfs/dbraw/zinc/55/62/65/494556265.db2.gz KPLWLCZLVBGFQC-YCPHGPKFSA-N 1 0 353.557 3.278 10 0 FGAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC000125991905 494599962 /nfs/dbraw/zinc/59/99/62/494599962.db2.gz DPYCUPMMMVYRPX-IEBWSBKVSA-N 1 0 361.486 3.096 10 0 FGAERO Cc1ccnc(-c2ccc(NC(=O)N3CC[N@@H+]4CCCC[C@H]4C3)cc2)n1 ZINC000115773314 494618292 /nfs/dbraw/zinc/61/82/92/494618292.db2.gz DJBIJIIWDBGSRZ-SFHVURJKSA-N 1 0 351.454 3.154 10 0 FGAERO C[C@H](NC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)c1cccc(Br)c1 ZINC000115795841 494625422 /nfs/dbraw/zinc/62/54/22/494625422.db2.gz VLJAXRGPVGWZAC-UONOGXRCSA-N 1 0 368.319 3.493 10 0 FGAERO COc1ccc([C@@H](C)NC(=O)NC[C@H](C)C[NH+]2CCCCC2)cc1OC ZINC000057039316 494626195 /nfs/dbraw/zinc/62/61/95/494626195.db2.gz NIYQEECSWORPJH-JKSUJKDBSA-N 1 0 363.502 3.186 10 0 FGAERO CC(C)CCn1cccc1C[N@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000121241886 494663211 /nfs/dbraw/zinc/66/32/11/494663211.db2.gz YGVOWDXPCUDLMV-UHFFFAOYSA-N 1 0 357.546 3.327 10 0 FGAERO CCn1cnnc1C1CC[NH+](C[C@H]2CC(c3ccc(Cl)cc3)=NO2)CC1 ZINC000091744414 494664758 /nfs/dbraw/zinc/66/47/58/494664758.db2.gz QGVQTWZIOTUURG-QGZVFWFLSA-N 1 0 373.888 3.324 10 0 FGAERO CCO[C@H]1C[C@H]([N@H+](C)Cc2cc(=O)n3c(C)csc3n2)C12CCCC2 ZINC000121249978 494666296 /nfs/dbraw/zinc/66/62/96/494666296.db2.gz NGPKBJFOWBQUMG-HOTGVXAUSA-N 1 0 361.511 3.234 10 0 FGAERO CCc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc(C(=O)NC)c2)cc1 ZINC000126259721 494689182 /nfs/dbraw/zinc/68/91/82/494689182.db2.gz DJSQHWHTIKJFSF-CABCVRRESA-N 1 0 353.466 3.286 10 0 FGAERO CCc1ccc([C@@H](C)NC(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000108540824 494732741 /nfs/dbraw/zinc/73/27/41/494732741.db2.gz CMEPMAYOKJPPPK-NQIIRXRSSA-N 1 0 372.557 3.122 10 0 FGAERO COc1ccc(NC(=O)NC(=O)C[NH2+][C@@H](C)c2ccc(Cl)cc2)cc1 ZINC000025398377 494733411 /nfs/dbraw/zinc/73/34/11/494733411.db2.gz XHESVSGXEOPDBT-LBPRGKRZSA-N 1 0 361.829 3.348 10 0 FGAERO Cc1nc(C[C@@H]2CCC[N@H+](Cc3ccc(OCC(F)F)cc3)C2)no1 ZINC000092813834 494760605 /nfs/dbraw/zinc/76/06/05/494760605.db2.gz CKWGQELLRWEVEA-HNNXBMFYSA-N 1 0 351.397 3.477 10 0 FGAERO CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1)C[C@@H](O)COC(C)(C)C ZINC000121458864 494764621 /nfs/dbraw/zinc/76/46/21/494764621.db2.gz SZALURDUYUQYPQ-MRXNPFEDSA-N 1 0 356.894 3.167 10 0 FGAERO Cc1nccn1-c1cncc(NC2CCC([NH+]3CCC(C)CC3)CC2)n1 ZINC000092924484 494787167 /nfs/dbraw/zinc/78/71/67/494787167.db2.gz WPBBNXAEADCMIO-UHFFFAOYSA-N 1 0 354.502 3.426 10 0 FGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cc(F)ccc1Br ZINC000092928769 494790567 /nfs/dbraw/zinc/79/05/67/494790567.db2.gz JICKDZGUFXPLDC-CMPLNLGQSA-N 1 0 356.239 3.289 10 0 FGAERO COC(=O)c1ccc(CNC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(C)c(F)c2)cc1 ZINC000126579625 494793831 /nfs/dbraw/zinc/79/38/31/494793831.db2.gz PAFRCBAYZVMAEG-LSDHHAIUSA-N 1 0 372.440 3.276 10 0 FGAERO C[C@@H](O)C1CC[NH+](Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)CC1 ZINC000092969314 494797784 /nfs/dbraw/zinc/79/77/84/494797784.db2.gz UWNGWPAEMSVSGO-KDOFPFPSSA-N 1 0 353.890 3.491 10 0 FGAERO C[NH+](C)CCN(Cc1ccccn1)C(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109125285 494835797 /nfs/dbraw/zinc/83/57/97/494835797.db2.gz SLQQYGBQWVJHIX-DLBZAZTESA-N 1 0 359.420 3.054 10 0 FGAERO Cc1cccn2c(C[N@H+](C)C[C@H](c3cccs3)N3CCOCC3)cnc12 ZINC000121732046 494847535 /nfs/dbraw/zinc/84/75/35/494847535.db2.gz URBXFUNTWJOFCU-GOSISDBHSA-N 1 0 370.522 3.210 10 0 FGAERO Cc1nn(-c2ccccc2)c(C)c1CNC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000132275274 494849573 /nfs/dbraw/zinc/84/95/73/494849573.db2.gz COBJLHAOCUHCHE-MGPUTAFESA-N 1 0 369.513 3.017 10 0 FGAERO CCOCC[N@@H+]1CCN(C(=O)CCc2c[nH]c3ccccc23)C[C@H]1CC ZINC000116772414 494850534 /nfs/dbraw/zinc/85/05/34/494850534.db2.gz OATSUUBMEUWRDK-GOSISDBHSA-N 1 0 357.498 3.060 10 0 FGAERO CCc1nccn1[C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC000109284827 494854465 /nfs/dbraw/zinc/85/44/65/494854465.db2.gz LIWRXQDKKIVXRH-UYAOXDASSA-N 1 0 354.498 3.302 10 0 FGAERO COC(=O)c1ccc(N2CC[NH2+]CC2)cc1Oc1ccc2[nH]ccc2c1 ZINC000116883700 494866353 /nfs/dbraw/zinc/86/63/53/494866353.db2.gz MYXNFNMHSCCUNE-UHFFFAOYSA-N 1 0 351.406 3.156 10 0 FGAERO COCCCCN(Cc1ccccc1)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000132464311 494879108 /nfs/dbraw/zinc/87/91/08/494879108.db2.gz LFRAJUZCIPHEDQ-ICSRJNTNSA-N 1 0 361.530 3.354 10 0 FGAERO CC(C)[C@@H](NC(=O)N1CCO[C@H](C[NH+](C)C)C1)c1ccccc1Cl ZINC000117051684 494887518 /nfs/dbraw/zinc/88/75/18/494887518.db2.gz SIPVFVIRRWCZCR-RHSMWYFYSA-N 1 0 353.894 3.009 10 0 FGAERO CC(=O)Nc1cc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)cc(C(F)(F)F)c1 ZINC000132639305 494902927 /nfs/dbraw/zinc/90/29/27/494902927.db2.gz HCPYXKWOKGFVKF-MRXNPFEDSA-N 1 0 373.419 3.370 10 0 FGAERO Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000109674776 494904918 /nfs/dbraw/zinc/90/49/18/494904918.db2.gz PAGWZWQREREHGG-VQTJNVASSA-N 1 0 366.509 3.365 10 0 FGAERO CC[C@@H]1CN(C(=O)Nc2cccc(N(C)C(C)C)c2)CC[N@@H+]1CCOC ZINC000117456912 494921843 /nfs/dbraw/zinc/92/18/43/494921843.db2.gz FWGKPJPPNRKPDG-GOSISDBHSA-N 1 0 362.518 3.106 10 0 FGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1csc(Cc2ccccc2F)n1 ZINC000117805097 494957155 /nfs/dbraw/zinc/95/71/55/494957155.db2.gz VDEGHPDTGNZONJ-UKRRQHHQSA-N 1 0 359.470 3.182 10 0 FGAERO C[C@@H](NC(=O)NC[C@H](O)C[NH+]1CCCCC1)c1cccc(Cl)c1Cl ZINC000118090614 494977307 /nfs/dbraw/zinc/97/73/07/494977307.db2.gz CIABGGXEVOAPOI-OLZOCXBDSA-N 1 0 374.312 3.200 10 0 FGAERO C[NH+](C)C[C@@H](NC(=O)c1ccc(OCC(F)(F)F)nc1)c1ccccc1 ZINC000097042386 495020752 /nfs/dbraw/zinc/02/07/52/495020752.db2.gz VBKPJZKTZHDULV-OAHLLOKOSA-N 1 0 367.371 3.055 10 0 FGAERO C[C@H](O)C1CC[NH+](C[C@H](O)COc2ccc(Oc3ccccc3)cc2)CC1 ZINC000111286326 495059395 /nfs/dbraw/zinc/05/93/95/495059395.db2.gz VQYPVWVYJVIKLQ-HKUYNNGSSA-N 1 0 371.477 3.311 10 0 FGAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000111799235 495112192 /nfs/dbraw/zinc/11/21/92/495112192.db2.gz OIWUZRVYHGJHIH-JXFKEZNVSA-N 1 0 355.482 3.311 10 0 FGAERO Cc1cnn([C@@H]2CCCN(C(=O)NCCC[N@@H+](C)Cc3ccccc3)C2)c1 ZINC000111806740 495113838 /nfs/dbraw/zinc/11/38/38/495113838.db2.gz MFAQXMMXKIREGL-HXUWFJFHSA-N 1 0 369.513 3.060 10 0 FGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2ccccc2OCC(F)(F)F)C1 ZINC000119189850 495114160 /nfs/dbraw/zinc/11/41/60/495114160.db2.gz UOTOMRRPSZYABZ-OCCSQVGLSA-N 1 0 359.392 3.478 10 0 FGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(C(=O)Nc2ccccc2)cc1 ZINC000119209499 495118081 /nfs/dbraw/zinc/11/80/81/495118081.db2.gz ISSXYHBJGBLCTK-FQEVSTJZSA-N 1 0 365.477 3.495 10 0 FGAERO COc1ccc(CNC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)c(C(F)(F)F)c1 ZINC000119282033 495132997 /nfs/dbraw/zinc/13/29/97/495132997.db2.gz NMGHZJRRJHMTDI-WBMJQRKESA-N 1 0 373.419 3.242 10 0 FGAERO O[C@H](C[N@@H+]1CCC[C@H](Cn2cncn2)C1)c1ccc(Cl)cc1Cl ZINC000134330080 495135932 /nfs/dbraw/zinc/13/59/32/495135932.db2.gz FJQXSUSOELQHSH-BLLLJJGKSA-N 1 0 355.269 3.031 10 0 FGAERO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000134343187 495137512 /nfs/dbraw/zinc/13/75/12/495137512.db2.gz JMHRCJQFHTXOBE-PKOBYXMFSA-N 1 0 360.498 3.198 10 0 FGAERO CC(C)c1nc(CCNC(=O)N[C@H](C[NH+](C)C)c2ccccc2)cs1 ZINC000102549962 495141225 /nfs/dbraw/zinc/14/12/25/495141225.db2.gz WMHIVOBITIARFZ-QGZVFWFLSA-N 1 0 360.527 3.411 10 0 FGAERO C[NH+](C)C[C@H](NC(=O)c1cccc(OC[C@H]2CCCO2)c1)c1ccccc1 ZINC000123496192 495141426 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ZINC000190443490 257368288 /nfs/dbraw/zinc/36/82/88/257368288.db2.gz KPQCCYSTZKPWOD-HNNXBMFYSA-N 1 0 360.408 3.346 10 0 FGAERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(c2cnc3cc(F)c(F)cc3n2)C1 ZINC000190451269 257368520 /nfs/dbraw/zinc/36/85/20/257368520.db2.gz WDRVGKPHQQGLBC-HNNXBMFYSA-N 1 0 369.419 3.261 10 0 FGAERO Cc1nc2c(c(NCc3ccccc3C[N@@H+]3CCC[C@H]3CO)n1)CCCC2 ZINC000302076285 257383513 /nfs/dbraw/zinc/38/35/13/257383513.db2.gz HFRZJCUOPNPHJJ-IBGZPJMESA-N 1 0 366.509 3.233 10 0 FGAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000035266515 257337605 /nfs/dbraw/zinc/33/76/05/257337605.db2.gz ZCAIZXUVFDWOQY-GZMMTYOYSA-N 1 0 369.288 3.280 10 0 FGAERO CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)C2CCCCC2)CC1 ZINC000033278750 136117602 /nfs/dbraw/zinc/11/76/02/136117602.db2.gz URYPRAJLOSHLQI-UHFFFAOYSA-N 1 0 373.497 3.134 10 0 FGAERO CC(C)(C)NNc1[nH+]cnc(N2CCC(Cc3ccccc3)CC2)c1N ZINC000040729457 136120449 /nfs/dbraw/zinc/12/04/49/136120449.db2.gz YHZVLONZDJHBHH-UHFFFAOYSA-N 1 0 354.502 3.233 10 0 FGAERO CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(Br)nc1 ZINC000095085787 494959942 /nfs/dbraw/zinc/95/99/42/494959942.db2.gz BRODJXCCAUUWQT-CYBMUJFWSA-N 1 0 370.291 3.333 10 0 FGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000068717533 493862718 /nfs/dbraw/zinc/86/27/18/493862718.db2.gz DWUQPTCAMAXHBN-SJLPKXTDSA-N 1 0 374.529 3.150 10 0 FGAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000076513601 493911961 /nfs/dbraw/zinc/91/19/61/493911961.db2.gz RHASSMOBBHNUNW-PZJWPPBQSA-N 1 0 354.469 3.390 10 0 FGAERO CCCCCCNC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]C(C)C)cc1 ZINC000005523969 493933925 /nfs/dbraw/zinc/93/39/25/493933925.db2.gz CFJMHEIWIQRQOI-KRWDZBQOSA-N 1 0 351.491 3.126 10 0 FGAERO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCO2)C(=O)NCc1ccccc1Cl ZINC000052658515 494051464 /nfs/dbraw/zinc/05/14/64/494051464.db2.gz XCGKPTTYQNZSMH-UONOGXRCSA-N 1 0 374.868 3.467 10 0 FGAERO COc1ccc(OCc2nc(C[NH2+]C[C@@H]3CCCC[C@@H]3O)cs2)cc1 ZINC000077465369 494088183 /nfs/dbraw/zinc/08/81/83/494088183.db2.gz UABMATBHSNSCJA-KSSFIOAISA-N 1 0 362.495 3.371 10 0 FGAERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1ccc(CN(C(C)=O)C2CC2)cc1 ZINC000077517826 494101675 /nfs/dbraw/zinc/10/16/75/494101675.db2.gz SNOUBGMIMDBSOV-HNNXBMFYSA-N 1 0 360.502 3.049 10 0 FGAERO O[C@@H]1CCC[C@@H]([NH2+]Cc2cc(Br)ccc2OC(F)F)C1 ZINC000037321050 494103829 /nfs/dbraw/zinc/10/38/29/494103829.db2.gz MILNMEBFNVURNA-VXGBXAGGSA-N 1 0 350.203 3.444 10 0 FGAERO O[C@H](COCc1ccccc1)C[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000084963638 494108398 /nfs/dbraw/zinc/10/83/98/494108398.db2.gz ZCLGCYRFCGDZQX-FCHUYYIVSA-N 1 0 373.468 3.149 10 0 FGAERO CC[NH+]1CCN(CCCNC(=O)c2cc3cn(C(C)C)cc3s2)CC1 ZINC000065285530 494186024 /nfs/dbraw/zinc/18/60/24/494186024.db2.gz VQEIZDXGSVSZBT-UHFFFAOYSA-N 1 0 362.543 3.041 10 0 FGAERO Cc1nn(C)cc1C[N@@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)n[nH]2)C1 ZINC000065286927 494187000 /nfs/dbraw/zinc/18/70/00/494187000.db2.gz PLQUQNDHKNWJKZ-HNNXBMFYSA-N 1 0 354.433 3.032 10 0 FGAERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1ccccc1CC(=O)OC(C)(C)C ZINC000072568735 494205555 /nfs/dbraw/zinc/20/55/55/494205555.db2.gz CYFAPGIWZOUCHJ-HNNXBMFYSA-N 1 0 363.502 3.423 10 0 FGAERO Cc1ccccc1[C@@H](C)NC(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000042798598 494245507 /nfs/dbraw/zinc/24/55/07/494245507.db2.gz YGSKOESEBKSFAQ-QGZVFWFLSA-N 1 0 355.482 3.496 10 0 FGAERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000043975823 494332149 /nfs/dbraw/zinc/33/21/49/494332149.db2.gz UXGTUXGFHCJKHY-AWEZNQCLSA-N 1 0 358.442 3.384 10 0 FGAERO C[C@@H](NC(=O)Nc1cccc(C[NH+](C)C)c1)c1ccc2c(c1)OCCO2 ZINC000044276672 494346875 /nfs/dbraw/zinc/34/68/75/494346875.db2.gz WFOJHBWXEPDXNQ-CQSZACIVSA-N 1 0 355.438 3.402 10 0 FGAERO COc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H]3CCCC[C@@H]3O)c2)cc1 ZINC000078724780 494348837 /nfs/dbraw/zinc/34/88/37/494348837.db2.gz BIARRKQOEPRRIZ-UXHICEINSA-N 1 0 354.450 3.341 10 0 FGAERO c1ccc2c(c1)OC1(CCC1)C[C@H]2[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000089733481 494350802 /nfs/dbraw/zinc/35/08/02/494350802.db2.gz HMIPYFXTDGMOBF-FUHWJXTLSA-N 1 0 350.466 3.482 10 0 FGAERO CC(=O)N1CCc2c(c(-c3ccc(F)cc3)nn2CC[C@H]2CCC[N@H+]2C)C1 ZINC000078750723 494355953 /nfs/dbraw/zinc/35/59/53/494355953.db2.gz ABXSPPKCGVOWEE-GOSISDBHSA-N 1 0 370.472 3.078 10 0 FGAERO Cc1ccccc1CN(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000073717199 494417386 /nfs/dbraw/zinc/41/73/86/494417386.db2.gz QDMYXTWIOJHFEN-DLBZAZTESA-N 1 0 368.477 3.464 10 0 FGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@H](C)c1nc(C2CCCCC2)no1 ZINC000073722932 494417988 /nfs/dbraw/zinc/41/79/88/494417988.db2.gz FDUNKFGZMUCFPG-GDBMZVCRSA-N 1 0 365.522 3.454 10 0 FGAERO CC[NH+]1CCC(CCNC(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)CC1 ZINC000073751987 494423523 /nfs/dbraw/zinc/42/35/23/494423523.db2.gz SGOQREHEPIWRQX-HNNXBMFYSA-N 1 0 363.502 3.186 10 0 FGAERO CC[NH+]1CCC(CCNC(=O)N[C@H](C)c2ccc(OC)c(OC)c2)CC1 ZINC000073751988 494423696 /nfs/dbraw/zinc/42/36/96/494423696.db2.gz SGOQREHEPIWRQX-OAHLLOKOSA-N 1 0 363.502 3.186 10 0 FGAERO C[C@@H](NC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)c1ccc(C(C)(C)C)cc1 ZINC000073777615 494427254 /nfs/dbraw/zinc/42/72/54/494427254.db2.gz NPZSATRLMHWEHE-ZWKOTPCHSA-N 1 0 374.573 3.228 10 0 FGAERO C[C@@H](NC(=O)NC[C@H](C)[NH+]1CCC(C)CC1)c1cccc(-n2ccnc2)c1 ZINC000073897950 494443945 /nfs/dbraw/zinc/44/39/45/494443945.db2.gz RLQXHCNXUDOVJU-ZWKOTPCHSA-N 1 0 369.513 3.353 10 0 FGAERO c1ccc2c(c1)CC[N@@H+]([C@H]1CCCN(Cc3ccc4c(c3)OCCO4)C1)C2 ZINC000020232620 494469950 /nfs/dbraw/zinc/46/99/50/494469950.db2.gz UOJJYPAGJBEZSV-NRFANRHFSA-N 1 0 364.489 3.481 10 0 FGAERO CCN1CCC[C@@H]([NH2+]Cc2ccc(OCc3c(C)noc3C)c(OC)c2)C1 ZINC000067220032 494495435 /nfs/dbraw/zinc/49/54/35/494495435.db2.gz JYAHCZZHCQJXLJ-GOSISDBHSA-N 1 0 373.497 3.453 10 0 FGAERO O=C(Nc1ccc(F)cc1OCC(F)F)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000091192428 494554242 /nfs/dbraw/zinc/55/42/42/494554242.db2.gz SYNVOUDSUDRHPZ-ZDUSSCGKSA-N 1 0 357.376 3.172 10 0 FGAERO CCOc1cc(C[N@@H+]2CC[C@H](N3CCOCC3)C2)ccc1OCC(C)C ZINC000121089648 494590217 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FGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000121330833 494705831 /nfs/dbraw/zinc/70/58/31/494705831.db2.gz RZAYKYLBAHYZMM-UKRRQHHQSA-N 1 0 358.511 3.345 10 0 FGAERO O=C(c1cccc(C[NH+]2CCCC2)c1)N1CCC(Cn2cccn2)CC1 ZINC000126352274 494720607 /nfs/dbraw/zinc/72/06/07/494720607.db2.gz JNEOPBKYOZDZOZ-UHFFFAOYSA-N 1 0 352.482 3.031 10 0 FGAERO CCOCC[N@@H+]1CCN(C(=O)Nc2cccc(COCC)c2)C[C@H]1CC ZINC000131786294 494730290 /nfs/dbraw/zinc/73/02/90/494730290.db2.gz AFSYSDXVHMQERL-LJQANCHMSA-N 1 0 363.502 3.188 10 0 FGAERO COc1cc(OC)c(OC)cc1C[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000092812697 494757782 /nfs/dbraw/zinc/75/77/82/494757782.db2.gz BGGJSXSYWIJMQE-HNNXBMFYSA-N 1 0 357.454 3.041 10 0 FGAERO Cn1cc([C@H]2CC[N@H+](CC(=O)N(Cc3ccccc3)C(C)(C)C)C2)cn1 ZINC000116312925 494758216 /nfs/dbraw/zinc/75/82/16/494758216.db2.gz FGQOCBVDKBCKTL-SFHVURJKSA-N 1 0 354.498 3.037 10 0 FGAERO O[C@@H](COCc1ccccc1)C[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000126523040 494778756 /nfs/dbraw/zinc/77/87/56/494778756.db2.gz AHNVRTNNNGVQRB-JOCHJYFZSA-N 1 0 369.505 3.288 10 0 FGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nc2cc(C(F)(F)F)ccc2n1C ZINC000126693442 494820710 /nfs/dbraw/zinc/82/07/10/494820710.db2.gz BVOMMNMYULDTLI-TZMCWYRMSA-N 1 0 352.404 3.261 10 0 FGAERO CC[C@H]1CN(Cc2coc(-c3ccc(F)c(F)c3)n2)CC[N@@H+]1CCOC ZINC000109064563 494825504 /nfs/dbraw/zinc/82/55/04/494825504.db2.gz MTRCFDSMYQYVCX-INIZCTEOSA-N 1 0 365.424 3.162 10 0 FGAERO CCOc1ccc(C[NH2+][C@@H]2CCCN(c3cccnn3)C2)cc1OCC ZINC000109070961 494826786 /nfs/dbraw/zinc/82/67/86/494826786.db2.gz QMIWCQQJRBSQCU-QGZVFWFLSA-N 1 0 356.470 3.033 10 0 FGAERO C[NH+](C)CCN(Cc1ccccn1)C(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109125287 494835265 /nfs/dbraw/zinc/83/52/65/494835265.db2.gz SLQQYGBQWVJHIX-IRXDYDNUSA-N 1 0 359.420 3.054 10 0 FGAERO C[NH+](C)[C@@H]1CCN(C(=O)N[C@H](c2cccc(Cl)c2)c2ccccn2)C1 ZINC000121676792 494836517 /nfs/dbraw/zinc/83/65/17/494836517.db2.gz CSORXKPGXDCHHA-SJLPKXTDSA-N 1 0 358.873 3.170 10 0 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COc1ccc(-c2nc(N[C@H]3CCC[NH2+]C3)cc(-c3cccnc3)n2)cc1 ZINC000073685164 523222348 /nfs/dbraw/zinc/22/23/48/523222348.db2.gz MLEXQIVOASTNKJ-KRWDZBQOSA-N 1 0 361.449 3.378 10 0 FGAERO O=c1[nH]ccnc1N1CCC[C@@H]([NH2+]Cc2cccc(OC3CCCC3)c2)C1 ZINC000275481624 526381760 /nfs/dbraw/zinc/38/17/60/526381760.db2.gz IJKJSOFWRIZWNM-QGZVFWFLSA-N 1 0 368.481 3.262 10 0 FGAERO CC(C)(C)[NH2+]Cc1ccc(-n2cc(I)cn2)cc1 ZINC000079903357 570736490 /nfs/dbraw/zinc/73/64/90/570736490.db2.gz BGYNQWYEGPQAPC-UHFFFAOYSA-N 1 0 355.223 3.365 10 0 FGAERO c1cc(C[N@H+]2CCC[C@H](OCc3nc(-c4cccnc4)no3)C2)cs1 ZINC000075403472 700210247 /nfs/dbraw/zinc/21/02/47/700210247.db2.gz IPAXULMYMTVHNR-INIZCTEOSA-N 1 0 356.451 3.374 10 0 FGAERO CCOCCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000075671901 700216956 /nfs/dbraw/zinc/21/69/56/700216956.db2.gz PLIFLJAUNMIXLY-QWHCGFSZSA-N 1 0 357.292 3.031 10 0 FGAERO CC(C)CCO[C@@H]1CC[N@H+](C[C@H](O)COCc2ccc(Cl)cc2)C1 ZINC000083247535 700346260 /nfs/dbraw/zinc/34/62/60/700346260.db2.gz 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355.511 3.018 10 0 FGAERO O[C@@H](CN[C@H](c1ccc(Br)cc1)C1CC1)C[NH+]1CCCCC1 ZINC000180044300 705725866 /nfs/dbraw/zinc/72/58/66/705725866.db2.gz KBTTXDJYZUKDJY-ROUUACIJSA-N 1 0 367.331 3.337 10 0 FGAERO O=S(=O)(/C=C/c1ccccc1)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000180949009 705764736 /nfs/dbraw/zinc/76/47/36/705764736.db2.gz LHCYLPBHMFOKAT-XUDAUXSOSA-N 1 0 354.475 3.472 10 0 FGAERO CCc1cnc(CN(C)C(=O)N[C@@H](C)C[N@H+](C)Cc2ccccc2)s1 ZINC000181280768 705782565 /nfs/dbraw/zinc/78/25/65/705782565.db2.gz DUWIQIFYFDGFTC-HNNXBMFYSA-N 1 0 360.527 3.367 10 0 FGAERO O[C@H](COc1ccccc1C(F)(F)F)C[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000182214371 705830696 /nfs/dbraw/zinc/83/06/96/705830696.db2.gz IYSHPJYILUJPNS-QRTARXTBSA-N 1 0 359.388 3.089 10 0 FGAERO C[C@H]([NH2+][C@@H](CO)c1ccccc1)C(=O)Nc1cccc(Br)c1 ZINC000182897618 705867799 /nfs/dbraw/zinc/86/77/99/705867799.db2.gz SGVWMUYGKTYKMT-LRDDRELGSA-N 1 0 363.255 3.099 10 0 FGAERO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)s1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000182963145 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Cc1nn(-c2ccccc2)c2sc(C(=O)N[C@@H]3CCC[C@H]3C[NH3+])cc12 ZINC000237652179 713595278 /nfs/dbraw/zinc/59/52/78/713595278.db2.gz JPNZTKBGPQTSQL-XJKSGUPXSA-N 1 0 354.479 3.253 10 0 FGAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 ZINC000237834902 713597410 /nfs/dbraw/zinc/59/74/10/713597410.db2.gz SIBUWCIOFYDJQK-RDTXWAMCSA-N 1 0 356.853 3.428 10 0 FGAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 ZINC000238053910 713600183 /nfs/dbraw/zinc/60/01/83/713600183.db2.gz RQXADNAZGNWVKF-UONOGXRCSA-N 1 0 358.463 3.044 10 0 FGAERO OC[C@H]1c2ccccc2CC[N@H+]1C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000246466170 713624275 /nfs/dbraw/zinc/62/42/75/713624275.db2.gz OHFOHVOBMDWPOF-XLIONFOSSA-N 1 0 356.853 3.425 10 0 FGAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Nc2ccc(N3CCSCC3)cc2)C1 ZINC000246595384 713626873 /nfs/dbraw/zinc/62/68/73/713626873.db2.gz ZDQJIWZIKUQGGA-CRAIPNDOSA-N 1 0 362.543 3.090 10 0 FGAERO CCn1c(=S)n(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)nc1-c1cccs1 ZINC000247052389 713635275 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350.409 3.388 10 0 FGAERO C[NH2+]CCc1ccccc1C(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000262181467 713721030 /nfs/dbraw/zinc/72/10/30/713721030.db2.gz ITNCZFSPZOJIDA-LJQANCHMSA-N 1 0 358.869 3.316 10 0 FGAERO CC[N@H+](CC(=O)[O-])C1CC([NH2+]CCCc2c(Cl)cccc2Cl)C1 ZINC000263524742 713748633 /nfs/dbraw/zinc/74/86/33/713748633.db2.gz STHJNNNDLAVDFH-UHFFFAOYSA-N 1 0 359.297 3.453 10 0 FGAERO C[C@H]([NH2+]C[C@H]1CSCCS1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000299982841 713781443 /nfs/dbraw/zinc/78/14/43/713781443.db2.gz UUKHLPQQFIWGQS-KKUMJFAQSA-N 1 0 360.589 3.460 10 0 FGAERO C[C@H]([NH2+]CCCCn1ccnc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000310475593 713799231 /nfs/dbraw/zinc/79/92/31/713799231.db2.gz NOTYEGBINOOPHB-IRXDYDNUSA-N 1 0 350.507 3.289 10 0 FGAERO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000381119504 713978009 /nfs/dbraw/zinc/97/80/09/713978009.db2.gz XRWSIVXMISZDCL-DMRKSPOLSA-N 1 0 352.519 3.425 10 0 FGAERO Cc1nc(N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)ccc1Br ZINC000630527045 716470037 /nfs/dbraw/zinc/47/00/37/716470037.db2.gz GRSMRGWDEPERPU-NXEZZACHSA-N 1 0 352.198 3.116 10 0 FGAERO C[NH2+]CCc1noc(-c2scc(Br)c2Br)n1 ZINC000705484146 722411858 /nfs/dbraw/zinc/41/18/58/722411858.db2.gz KNHLVFSNIVCBCX-UHFFFAOYSA-N 1 0 367.066 3.085 10 0 FGAERO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000190433699 203803605 /nfs/dbraw/zinc/80/36/05/203803605.db2.gz IJDKIOFNEXHNPV-HKBOAZHASA-N 1 0 368.525 3.377 10 0 FGAERO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cnc(SC)nc1-c1ccccc1 ZINC000006938182 204282125 /nfs/dbraw/zinc/28/21/25/204282125.db2.gz HAJSXYQDKGZGIU-HNNXBMFYSA-N 1 0 356.495 3.080 10 0 FGAERO COc1ccc(-c2nc(N[C@H]3CCC[NH2+]C3)cc(-c3ccncc3)n2)cc1 ZINC000073685160 205033524 /nfs/dbraw/zinc/03/35/24/205033524.db2.gz DDDBNPMXLRXGPW-KRWDZBQOSA-N 1 0 361.449 3.378 10 0 FGAERO CC(=O)c1ccc(OCC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)cc1 ZINC000043086791 205100666 /nfs/dbraw/zinc/10/06/66/205100666.db2.gz CIBCYAXQOXRRKW-UHFFFAOYSA-N 1 0 368.477 3.425 10 0 FGAERO Cc1c([C@@H](C)[NH3+])nnn1-c1ccc(Br)cc1Br ZINC000049185936 205170437 /nfs/dbraw/zinc/17/04/37/205170437.db2.gz DQWIRBKJWVNPOE-ZCFIWIBFSA-N 1 0 360.053 3.120 10 0 FGAERO CC(C)C[NH2+]C[C@@H]1CCN(c2ccccc2I)C1 ZINC000053013243 205190227 /nfs/dbraw/zinc/19/02/27/205190227.db2.gz VYBALCUSDRCUQX-ZDUSSCGKSA-N 1 0 358.267 3.363 10 0 FGAERO O=C(Nc1cccnc1)c1cccc(CN2CCC[C@H]2C[NH+]2CCCC2)c1 ZINC000065383955 205344076 /nfs/dbraw/zinc/34/40/76/205344076.db2.gz XSHKHIVPFUYFLL-NRFANRHFSA-N 1 0 364.493 3.394 10 0 FGAERO COc1cccc([C@@H](C)Nc2nc(-c3cccnc3)nc3c2CC[NH2+]C3)c1 ZINC000067560476 205374601 /nfs/dbraw/zinc/37/46/01/205374601.db2.gz YSEFBHPNOXRAKD-CQSZACIVSA-N 1 0 361.449 3.366 10 0 FGAERO COc1ccc([C@H](C[NH3+])Oc2cccc(I)c2)cc1 ZINC000042963800 206013686 /nfs/dbraw/zinc/01/36/86/206013686.db2.gz RDVJDISHOOGLJF-HNNXBMFYSA-N 1 0 369.202 3.379 10 0 FGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cc(Br)cnc1Cl ZINC000050045057 206095912 /nfs/dbraw/zinc/09/59/12/206095912.db2.gz OBLVFXVLBVEYBW-LLVKDONJSA-N 1 0 362.699 3.204 10 0 FGAERO [NH3+][C@H](CC(=O)Nc1ccc(I)cc1)c1ccccc1 ZINC000020478022 206333846 /nfs/dbraw/zinc/33/38/46/206333846.db2.gz RFSQNESOFGQLED-CQSZACIVSA-N 1 0 366.202 3.320 10 0 FGAERO Cc1cc(N2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)nc(-c2cccnc2)n1 ZINC000190447767 257368484 /nfs/dbraw/zinc/36/84/84/257368484.db2.gz YRHXGVWWWBQAIT-LJQANCHMSA-N 1 0 374.492 3.200 10 0 FGAERO Cc1c[nH+]ccc1N1CCC[C@]2(CCC(=O)N(CCc3ccccn3)C2)C1 ZINC000077287460 132179736 /nfs/dbraw/zinc/17/97/36/132179736.db2.gz UDIXFHCGHKBYGO-QFIPXVFZSA-N 1 0 364.493 3.237 10 0 FGAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1cccc(I)c1C ZINC000121740221 494849844 /nfs/dbraw/zinc/84/98/44/494849844.db2.gz JRDITJFBEQRXIO-NSHDSACASA-N 1 0 374.266 3.060 10 0 FGAERO CCOc1ccc(CNC(=O)N[C@H](C[NH+](C)C)c2ccccc2)cc1OC ZINC000048215729 493803583 /nfs/dbraw/zinc/80/35/83/493803583.db2.gz GRMAMNGWLYLNJR-GOSISDBHSA-N 1 0 371.481 3.196 10 0 FGAERO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000076318581 493865783 /nfs/dbraw/zinc/86/57/83/493865783.db2.gz FFCWNVGAUYRFIC-SJKOYZFVSA-N 1 0 356.869 3.450 10 0 FGAERO C[NH+](C)C[C@@H](NC(=O)c1nn(-c2ccccc2)c2c1CCC2)c1ccccc1 ZINC000029953961 493869983 /nfs/dbraw/zinc/86/99/83/493869983.db2.gz RIJPBMKOMADWDL-HXUWFJFHSA-N 1 0 374.488 3.394 10 0 FGAERO CC[N@H+](Cc1ccc(C(=O)N[C@@H]2CCCn3nc(C)nc32)cc1)C(C)C ZINC000081584519 493923760 /nfs/dbraw/zinc/92/37/60/493923760.db2.gz FCRTULKCRGDVJU-GOSISDBHSA-N 1 0 355.486 3.082 10 0 FGAERO C[N@H+](C[C@H](O)COC(c1ccccc1)c1ccccc1)C[C@@H]1CCCO1 ZINC000052102474 494004999 /nfs/dbraw/zinc/00/49/99/494004999.db2.gz AMPUYLOVKKNLQU-SFTDATJTSA-N 1 0 355.478 3.264 10 0 FGAERO C[NH+](C)C[C@@H](NC(=O)Cc1ccc(Br)cc1)c1ccccc1 ZINC000007816795 494045653 /nfs/dbraw/zinc/04/56/53/494045653.db2.gz LHMWQLIQOZKUJY-QGZVFWFLSA-N 1 0 361.283 3.411 10 0 FGAERO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCO2)C(=O)Nc1c(F)cccc1F ZINC000052658477 494051151 /nfs/dbraw/zinc/05/11/51/494051151.db2.gz KBTSHKVFXUIPLE-NWDGAFQWSA-N 1 0 362.376 3.414 10 0 FGAERO C[C@H](NC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C)c1ccccc1Br ZINC000085387365 494118886 /nfs/dbraw/zinc/11/88/86/494118886.db2.gz IDTMHYNKEIKTSH-WWGRRREGSA-N 1 0 368.319 3.492 10 0 FGAERO O=S(=O)(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)c1ccc(F)cc1 ZINC000065885862 494251702 /nfs/dbraw/zinc/25/17/02/494251702.db2.gz ZGYMTYVANRIQOC-SFHVURJKSA-N 1 0 362.470 3.159 10 0 FGAERO CCCc1ccccc1NC(=O)NC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000044079379 494338626 /nfs/dbraw/zinc/33/86/26/494338626.db2.gz BRXLTJCAFQHZFV-FQEVSTJZSA-N 1 0 367.493 3.180 10 0 FGAERO O[C@H](COC(c1ccccc1)c1ccccc1)C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000090008397 494427398 /nfs/dbraw/zinc/42/73/98/494427398.db2.gz VOPQWCWCEXDFQF-FCHUYYIVSA-N 1 0 367.489 3.264 10 0 FGAERO CCOC(=O)c1cnn(C)c1NC(=O)C[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000067116789 494477998 /nfs/dbraw/zinc/47/79/98/494477998.db2.gz HNMKMLNUBIKNCY-AWEZNQCLSA-N 1 0 372.469 3.010 10 0 FGAERO O=S(=O)(NCC[NH2+][C@@H]1CCC[C@@H]1c1ccc(F)cc1)c1cccs1 ZINC000090604718 494486208 /nfs/dbraw/zinc/48/62/08/494486208.db2.gz CCFPVAOVWOUACQ-HZPDHXFCSA-N 1 0 368.499 3.091 10 0 FGAERO CC(C)(C)c1cc(=O)[nH]c(-c2cccc(CN3CC[NH+]4CCC3CC4)c2)n1 ZINC000023399242 494565388 /nfs/dbraw/zinc/56/53/88/494565388.db2.gz AWZWIZGLLICNFE-UHFFFAOYSA-N 1 0 366.509 3.014 10 0 FGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000056863950 494578719 /nfs/dbraw/zinc/57/87/19/494578719.db2.gz YZICLJJDWKAZNP-YOEHRIQHSA-N 1 0 353.894 3.153 10 0 FGAERO Fc1ccccc1COc1cccc(C[N@@H+]2CC[C@H](N3CCOCC3)C2)c1 ZINC000121070628 494579633 /nfs/dbraw/zinc/57/96/33/494579633.db2.gz LOEKHMDQWABHAZ-FQEVSTJZSA-N 1 0 370.468 3.311 10 0 FGAERO CC[NH+](CC)[C@H](C(=O)N1CCC(Cn2cccn2)CC1)c1ccccc1 ZINC000126049482 494619067 /nfs/dbraw/zinc/61/90/67/494619067.db2.gz DTQMDIHDSKMSKJ-FQEVSTJZSA-N 1 0 354.498 3.205 10 0 FGAERO C[NH+](C)C[C@@H](NC(=O)N[C@H]1CCCN(c2ccccc2)C1)c1ccccc1 ZINC000115789824 494623739 /nfs/dbraw/zinc/62/37/39/494623739.db2.gz GXVKOLKLSYXYDU-PZJWPPBQSA-N 1 0 366.509 3.258 10 0 FGAERO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)c1cc2cc(Br)ccc2o1 ZINC000091667174 494638777 /nfs/dbraw/zinc/63/87/77/494638777.db2.gz JRMJIHRGSWHIEX-SMDDNHRTSA-N 1 0 353.260 3.177 10 0 FGAERO Clc1ccc(C2=NO[C@H](C[N@@H+]3CCS[C@H]4COCC[C@@H]43)C2)cc1 ZINC000091679195 494642846 /nfs/dbraw/zinc/64/28/46/494642846.db2.gz DUXHKEUVJJOTBP-XIRDDKMYSA-N 1 0 352.887 3.039 10 0 FGAERO CN(Cc1csc(-c2ccoc2)n1)[C@H]1CCCN(c2cccnn2)C1 ZINC000108373026 494690278 /nfs/dbraw/zinc/69/02/78/494690278.db2.gz PMCLNDIPIIPGSE-INIZCTEOSA-N 1 0 355.467 3.294 10 0 FGAERO C[C@H]([NH2+]CC(=O)Nc1cccc(C(=O)NC2CC2)c1)c1ccc(F)c(F)c1 ZINC000121339565 494710758 /nfs/dbraw/zinc/71/07/58/494710758.db2.gz ARQZLQUFDXAMPP-LBPRGKRZSA-N 1 0 373.403 3.146 10 0 FGAERO Fc1ccc(-n2cc(C[N@@H+]3CC[C@H](CNc4ccccn4)C3)cn2)cc1 ZINC000092812950 494757213 /nfs/dbraw/zinc/75/72/13/494757213.db2.gz YECMMNMSVYGZIW-MRXNPFEDSA-N 1 0 351.429 3.340 10 0 FGAERO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116322593 494762768 /nfs/dbraw/zinc/76/27/68/494762768.db2.gz IDKZAPQNSATGKB-ZBFHGGJFSA-N 1 0 360.889 3.082 10 0 FGAERO CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116322184 494762990 /nfs/dbraw/zinc/76/29/90/494762990.db2.gz XXYLQFDLIKISSX-AWEZNQCLSA-N 1 0 353.422 3.333 10 0 FGAERO COCCOc1ccc(NC(=O)N[C@H](C[NH+](C)C)c2ccccc2)c(C)c1 ZINC000047761377 494771727 /nfs/dbraw/zinc/77/17/27/494771727.db2.gz DJUJNVZRJUEASZ-HXUWFJFHSA-N 1 0 371.481 3.445 10 0 FGAERO O[C@H](COCc1ccccc1)C[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000126522863 494779484 /nfs/dbraw/zinc/77/94/84/494779484.db2.gz AHNVRTNNNGVQRB-QFIPXVFZSA-N 1 0 369.505 3.288 10 0 FGAERO Cc1nccn1-c1cncc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1 ZINC000092894991 494783583 /nfs/dbraw/zinc/78/35/83/494783583.db2.gz FVCLLTUOAGLIGK-SFHVURJKSA-N 1 0 354.502 3.063 10 0 FGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccccc1CC(=O)OC(C)(C)C ZINC000092927473 494789080 /nfs/dbraw/zinc/78/90/80/494789080.db2.gz BDVMDQMUOXOLOK-NVXWUHKLSA-N 1 0 373.497 3.271 10 0 FGAERO CSc1cnn(-c2ccccc2)c1NC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000126570870 494792163 /nfs/dbraw/zinc/79/21/63/494792163.db2.gz QWMGKRLVLMFJIB-ZBFHGGJFSA-N 1 0 373.526 3.444 10 0 FGAERO Cc1nc2sc(-c3ccccc3)cc2c(N2CCO[C@H](C[NH+](C)C)C2)n1 ZINC000108951801 494809335 /nfs/dbraw/zinc/80/93/35/494809335.db2.gz WZFSREUUFORJGH-MRXNPFEDSA-N 1 0 368.506 3.434 10 0 FGAERO COc1ccc([C@H](C)NC(=O)N[C@H](CC(C)C)C[NH+](C)C)cc1OC ZINC000121615020 494820456 /nfs/dbraw/zinc/82/04/56/494820456.db2.gz OEQXSKNEFRGTBA-GOEBONIOSA-N 1 0 351.491 3.040 10 0 FGAERO C[C@H]([NH2+]CC(=O)N[C@H](c1ccccc1)C1CC1)c1ccc2c(c1)OCCO2 ZINC000126703587 494822875 /nfs/dbraw/zinc/82/28/75/494822875.db2.gz LMIBRECLLCJKNC-OYHNWAKOSA-N 1 0 366.461 3.376 10 0 FGAERO CN(C(=O)c1csc2ccccc12)C1CC[NH+](CCn2cccn2)CC1 ZINC000109292325 494855671 /nfs/dbraw/zinc/85/56/71/494855671.db2.gz IDWWHNFFJZYZID-UHFFFAOYSA-N 1 0 368.506 3.334 10 0 FGAERO O=C(Nc1cc(F)c(Br)cc1F)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000121786601 494860036 /nfs/dbraw/zinc/86/00/36/494860036.db2.gz CRHRNXFXCIZSCW-JTQLQIEISA-N 1 0 374.229 3.429 10 0 FGAERO Cc1cc2ncc([C@@H](C)[NH2+][C@H](C)c3ccc(S(C)(=O)=O)cc3)c(C)n2n1 ZINC000093401849 494886631 /nfs/dbraw/zinc/88/66/31/494886631.db2.gz DUPWGRPLAXKRBB-ZIAGYGMSSA-N 1 0 372.494 3.161 10 0 FGAERO CCOc1cc(C[N@@H+]2CCC[C@@H](Cn3nc(C)nc3C)C2)ccc1OC ZINC000121951732 494897927 /nfs/dbraw/zinc/89/79/27/494897927.db2.gz JNTMOXARHLGTEX-GOSISDBHSA-N 1 0 358.486 3.214 10 0 FGAERO Cc1cnn([C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000109684750 494907711 /nfs/dbraw/zinc/90/77/11/494907711.db2.gz YJAXHFROUTVRQU-LEWJYISDSA-N 1 0 366.509 3.267 10 0 FGAERO Cc1ccc(C(=O)N2CC[C@@H]([NH+](C)C)C2)cc1NC(=O)Nc1ccccc1 ZINC000132779527 494923146 /nfs/dbraw/zinc/92/31/46/494923146.db2.gz ZFIIWWLSHCUOGS-GOSISDBHSA-N 1 0 366.465 3.415 10 0 FGAERO CCOc1c(OC)cc(C[NH+]2CCC(Cn3cccn3)CC2)cc1OC ZINC000122114674 494926400 /nfs/dbraw/zinc/92/64/00/494926400.db2.gz FUISVJCPOJOAKW-UHFFFAOYSA-N 1 0 359.470 3.211 10 0 FGAERO C[C@H](O)C[NH+]1CCC(CN(C)c2nc(-c3ccc(F)cc3)cs2)CC1 ZINC000127411561 494940575 /nfs/dbraw/zinc/94/05/75/494940575.db2.gz LQWWUQISDSJSKZ-AWEZNQCLSA-N 1 0 363.502 3.478 10 0 FGAERO C[C@@H](CCC(=O)N1CCCN(Cc2cnn(C)c2)CC1)c1ccccc1 ZINC000133155021 494977667 /nfs/dbraw/zinc/97/76/67/494977667.db2.gz WGTXYHSGXRIYOH-SFHVURJKSA-N 1 0 354.498 3.038 10 0 FGAERO O=C(N[C@H](Cc1ccccc1)C(F)(F)F)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000122643677 495009231 /nfs/dbraw/zinc/00/92/31/495009231.db2.gz OPZIKWCNWVTCCR-JKSUJKDBSA-N 1 0 355.404 3.040 10 0 FGAERO O=C(CC1CCCC1)N1CC[C@](O)(c2ccccc2)[C@H]([NH+]2CCCC2)C1 ZINC000097087529 495023401 /nfs/dbraw/zinc/02/34/01/495023401.db2.gz GNSUZOUYQFXHHA-IRLDBZIGSA-N 1 0 356.510 3.151 10 0 FGAERO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H](C)NC(=O)Nc2ccccc2)C1 ZINC000110975804 495026736 /nfs/dbraw/zinc/02/67/36/495026736.db2.gz FGDZGXBIDGBYFW-IAGOWNOFSA-N 1 0 374.529 3.213 10 0 FGAERO C[NH+](C)C[C@H]1CN(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)CCO1 ZINC000118794574 495036804 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Cc1ccccc1CN1CCN(C(=O)C[NH2+][C@H](C)c2cccs2)CC1 ZINC000171111989 495729492 /nfs/dbraw/zinc/72/94/92/495729492.db2.gz FTKNKKWQBAWGAO-QGZVFWFLSA-N 1 0 357.523 3.052 10 0 FGAERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)Nc1ccc2c(c1)CCC(=O)N2 ZINC000182872086 495736767 /nfs/dbraw/zinc/73/67/67/495736767.db2.gz CGWFABPMHBNLLL-HNNXBMFYSA-N 1 0 366.465 3.213 10 0 FGAERO COc1ccc(-c2cncc(C(=O)N[C@H]3C[N@@H+](C(C)C)C[C@@H]3C)c2)cc1 ZINC000151104783 495739267 /nfs/dbraw/zinc/73/92/67/495739267.db2.gz AUEUDROCWISAIV-YWZLYKJASA-N 1 0 353.466 3.216 10 0 FGAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCc1nc2ccccc2n1C1CC1 ZINC000185824692 495739530 /nfs/dbraw/zinc/73/95/30/495739530.db2.gz GGMUCURMANPPGZ-QGZVFWFLSA-N 1 0 369.513 3.291 10 0 FGAERO FC(F)(F)c1cccc(OCCCC[N@@H+]2CC[C@H](N3CCOCC3)C2)c1 ZINC000173907629 495741625 /nfs/dbraw/zinc/74/16/25/495741625.db2.gz KRCIZZDJUWYVCG-KRWDZBQOSA-N 1 0 372.431 3.271 10 0 FGAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](CC(C)C)c2nc(-c3nc[nH]n3)no2)C12CCCC2 ZINC000179807924 495743192 /nfs/dbraw/zinc/74/31/92/495743192.db2.gz ARMOXKVMKIUCHT-SOUVJXGZSA-N 1 0 374.489 3.269 10 0 FGAERO COCC[N@H+](C)CCNC(=O)N[C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000171200130 495765969 /nfs/dbraw/zinc/76/59/69/495765969.db2.gz XCFIJXAUVPOAEL-SNVBAGLBSA-N 1 0 366.264 3.071 10 0 FGAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)CCCc2c[nH]c3ccccc23)CC1 ZINC000176866450 495817632 /nfs/dbraw/zinc/81/76/32/495817632.db2.gz LQXVDXDWIQERNF-KRWDZBQOSA-N 1 0 371.525 3.042 10 0 FGAERO C[C@H]([NH2+]CC(=O)Nc1ccc(Br)cc1Cl)[C@H]1CCCO1 ZINC000183113788 495840790 /nfs/dbraw/zinc/84/07/90/495840790.db2.gz VCMXHCJDKBWDRI-TVQRCGJNSA-N 1 0 361.667 3.198 10 0 FGAERO Cc1csc(-c2ccc(NC(=O)NC[C@@H](O)C[NH+]3CCCCC3)cc2)n1 ZINC000171380594 495846782 /nfs/dbraw/zinc/84/67/82/495846782.db2.gz NAFFAOQTYKHCMJ-QGZVFWFLSA-N 1 0 374.510 3.087 10 0 FGAERO CN(c1cccnn1)C1CC[NH+](Cc2cn(C)nc2-c2cccs2)CC1 ZINC000180080320 495848891 /nfs/dbraw/zinc/84/88/91/495848891.db2.gz VRIUKDHDTHWSSO-UHFFFAOYSA-N 1 0 368.510 3.039 10 0 FGAERO C[NH+]1CCC(N[C@@H](c2ccc(Br)cc2)c2cncnc2)CC1 ZINC000186089052 495850346 /nfs/dbraw/zinc/85/03/46/495850346.db2.gz SOPNUZNMLOJECF-KRWDZBQOSA-N 1 0 361.287 3.012 10 0 FGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1cc(C)n(-c2ccc(C)cc2)n1 ZINC000180097463 495857378 /nfs/dbraw/zinc/85/73/78/495857378.db2.gz CPGUQOWHFHVYLV-GOSISDBHSA-N 1 0 355.486 3.437 10 0 FGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc2c(cccc2Br)[nH]1 ZINC000176979167 495868197 /nfs/dbraw/zinc/86/81/97/495868197.db2.gz SRALKYRJUKKDCT-GFCCVEGCSA-N 1 0 364.287 3.487 10 0 FGAERO COC[C@H](C)C[NH2+][C@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186132684 495868476 /nfs/dbraw/zinc/86/84/76/495868476.db2.gz KZUMRPNNNTXOCT-MLGOLLRUSA-N 1 0 350.260 3.201 10 0 FGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cccc(Cn2nc(C)cc2C)c1 ZINC000176991323 495873754 /nfs/dbraw/zinc/87/37/54/495873754.db2.gz SGTWXYXOKMKTQS-FQEVSTJZSA-N 1 0 354.498 3.105 10 0 FGAERO CCC(O)(CC)C[NH2+][C@@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186151946 495875606 /nfs/dbraw/zinc/87/56/06/495875606.db2.gz PCFAAHKHRYSZLA-INIZCTEOSA-N 1 0 364.287 3.469 10 0 FGAERO C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)[C@@H]1CCCO1 ZINC000183200254 495878412 /nfs/dbraw/zinc/87/84/12/495878412.db2.gz NVVKRIFVCULHEK-ZANVPECISA-N 1 0 350.768 3.454 10 0 FGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CCc1cc(Br)cs1 ZINC000177003599 495878955 /nfs/dbraw/zinc/87/89/55/495878955.db2.gz BRSGJBFUWNMOND-CYBMUJFWSA-N 1 0 359.333 3.386 10 0 FGAERO CCN(Cc1ccccc1)C(=O)[C@H](C)[N@@H+]1CCC[C@H](n2cc(C)cn2)C1 ZINC000155238943 495886812 /nfs/dbraw/zinc/88/68/12/495886812.db2.gz HYJRXDNMCBRWRT-ICSRJNTNSA-N 1 0 354.498 3.266 10 0 FGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Cc1c(C)nn(-c2ccc(F)cc2)c1C ZINC000177030892 495892043 /nfs/dbraw/zinc/89/20/43/495892043.db2.gz KKFORSHCSUWSER-LJQANCHMSA-N 1 0 372.488 3.113 10 0 FGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1[nH]c2ccccc2c1Br ZINC000177040640 495895991 /nfs/dbraw/zinc/89/59/91/495895991.db2.gz KNPXFDJANSTUQT-LBPRGKRZSA-N 1 0 364.287 3.487 10 0 FGAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)N(CC)CC)cc2)C12CCOCC2 ZINC000186229668 495905029 /nfs/dbraw/zinc/90/50/29/495905029.db2.gz BWKDGEXFNXNOEW-WOJBJXKFSA-N 1 0 374.525 3.232 10 0 FGAERO Cc1nn(C)c(C)c1CN1CC[NH+]([C@@H](C)CCc2cccc(F)c2)CC1 ZINC000183279704 495912464 /nfs/dbraw/zinc/91/24/64/495912464.db2.gz XBZGCKPQEKWADS-INIZCTEOSA-N 1 0 358.505 3.315 10 0 FGAERO Cc1cc(C[N@H+]2C[C@H](C)[C@H](N3CCOCC3)C2)cc(C)c1OC(F)F ZINC000180227679 495915393 /nfs/dbraw/zinc/91/53/93/495915393.db2.gz YLQVCHGMJGOHEC-DOTOQJQBSA-N 1 0 354.441 3.057 10 0 FGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Cc2cccc(OCc3cccnc3)c2)C1 ZINC000180231005 495916716 /nfs/dbraw/zinc/91/67/16/495916716.db2.gz UJDDADNKSDPUQF-UTKZUKDTSA-N 1 0 367.493 3.048 10 0 FGAERO C[C@H](C[N@@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1)c1cccc(Br)c1 ZINC000180235123 495919072 /nfs/dbraw/zinc/91/90/72/495919072.db2.gz CMIVBRICJBGCOI-RKVPGOIHSA-N 1 0 367.331 3.205 10 0 FGAERO Cc1csc([C@@H]2CCCN(C(=O)NC[C@@H](C)[NH+]3CCC(C)CC3)C2)n1 ZINC000174385519 495936622 /nfs/dbraw/zinc/93/66/22/495936622.db2.gz VPAFZXMRSNMBKB-IAGOWNOFSA-N 1 0 364.559 3.461 10 0 FGAERO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](c2ccc(C)o2)N2CCCC2)C12CCOCC2 ZINC000186306107 495938607 /nfs/dbraw/zinc/93/86/07/495938607.db2.gz YXFMEMCCXYVEAK-YSIASYRMSA-N 1 0 362.514 3.289 10 0 FGAERO CC(C)COc1ccc([C@H](C)NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)cc1 ZINC000155397230 495944681 /nfs/dbraw/zinc/94/46/81/495944681.db2.gz REAZDAUVNBRZNJ-HKUYNNGSSA-N 1 0 357.498 3.438 10 0 FGAERO CCc1nc2c(s1)[C@H]([NH2+]C[C@H](O)CN1CCc3ccccc3C1)CCC2 ZINC000151789308 495948161 /nfs/dbraw/zinc/94/81/61/495948161.db2.gz VAZMKIAWIVKHKF-ZWKOTPCHSA-N 1 0 371.550 3.092 10 0 FGAERO Cc1nc(C[C@@H]2CCC[N@H+](Cc3ccc4c(c3)COC(C)(C)O4)C2)no1 ZINC000186338896 495954899 /nfs/dbraw/zinc/95/48/99/495954899.db2.gz XMZYAFTZBDUJRV-HNNXBMFYSA-N 1 0 357.454 3.478 10 0 FGAERO O=C(C[N@@H+]1CC[C@@H](CNc2ccccn2)C1)N(Cc1ccccc1)C1CC1 ZINC000171640976 495961301 /nfs/dbraw/zinc/96/13/01/495961301.db2.gz IJIIXEKBKYFVIM-IBGZPJMESA-N 1 0 364.493 3.007 10 0 FGAERO C[C@H](O)C[C@H](CNC(=O)N[C@@H](C[NH+](C)C)c1ccccc1)c1ccccc1 ZINC000151834062 495962784 /nfs/dbraw/zinc/96/27/84/495962784.db2.gz ILBGNBSAGHPSPJ-WMQCIHAUSA-N 1 0 369.509 3.143 10 0 FGAERO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000171646031 495967119 /nfs/dbraw/zinc/96/71/19/495967119.db2.gz QBTMDGDEULOFCI-GVDBMIGSSA-N 1 0 370.472 3.220 10 0 FGAERO C[C@@H]1CN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C[C@H](c2ccc(F)cc2)O1 ZINC000151848661 495967607 /nfs/dbraw/zinc/96/76/07/495967607.db2.gz YAXSGZSOAKMLAM-MAODMQOUSA-N 1 0 370.468 3.287 10 0 FGAERO Cc1cccc(NC[C@H]2CC[N@@H+](Cc3cccc(C(=O)N(C)C)c3)C2)n1 ZINC000171648725 495968194 /nfs/dbraw/zinc/96/81/94/495968194.db2.gz CTJPXIGVMMFAEU-GOSISDBHSA-N 1 0 352.482 3.026 10 0 FGAERO CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2csc(C(C)C)n2)ncn1 ZINC000186398903 495982528 /nfs/dbraw/zinc/98/25/28/495982528.db2.gz CHHGWXMJBSVIBJ-KGLIPLIRSA-N 1 0 360.531 3.418 10 0 FGAERO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(OC)cc2OC(F)F)C12CCOCC2 ZINC000186413286 495988293 /nfs/dbraw/zinc/98/82/93/495988293.db2.gz WZSAHSZQPJKAKE-IRXDYDNUSA-N 1 0 371.424 3.360 10 0 FGAERO Fc1cccc(Br)c1C[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000180475754 496011208 /nfs/dbraw/zinc/01/12/08/496011208.db2.gz NNXUQUCMKQBPBX-LBPRGKRZSA-N 1 0 365.250 3.137 10 0 FGAERO Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171756938 496023620 /nfs/dbraw/zinc/02/36/20/496023620.db2.gz HHFLRUHIOWNKFQ-KRWDZBQOSA-N 1 0 372.900 3.122 10 0 FGAERO COCc1cc([C@H](C)[NH2+][C@@H]2CCc3nnc(C(C)C)n3C2)ccc1OC ZINC000180511094 496025757 /nfs/dbraw/zinc/02/57/57/496025757.db2.gz YIQYXWMVVNTUEC-WMLDXEAASA-N 1 0 358.486 3.222 10 0 FGAERO CC[C@H]1CN(C(=O)C2CCC(c3ccccc3)CC2)CC[N@@H+]1C[C@@H](C)O ZINC000174632602 496040950 /nfs/dbraw/zinc/04/09/50/496040950.db2.gz UCRRXDDNOOMDFS-GHOZHQTGSA-N 1 0 358.526 3.264 10 0 FGAERO CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2ccc(F)cc2N(C)C)ncn1 ZINC000180571729 496049651 /nfs/dbraw/zinc/04/96/51/496049651.db2.gz VOWGYJKSGAQIBZ-GOEBONIOSA-N 1 0 372.492 3.043 10 0 FGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCC1(c2ccccc2C)CCOCC1 ZINC000177430253 496059437 /nfs/dbraw/zinc/05/94/37/496059437.db2.gz AIMVKFBNJVFZFK-LJQANCHMSA-N 1 0 373.541 3.169 10 0 FGAERO COc1ccc(-c2noc([C@H](C)[N@@H+]3CCC[C@@H]3Cn3ccnc3C)n2)cc1 ZINC000152147016 496061850 /nfs/dbraw/zinc/06/18/50/496061850.db2.gz PCCZECKNMGXOQS-WMLDXEAASA-N 1 0 367.453 3.476 10 0 FGAERO COc1ccc(-c2nc(C)c([C@H](C)[NH2+][C@H]3CCc4ncnn4C3)s2)cc1 ZINC000180603917 496063737 /nfs/dbraw/zinc/06/37/37/496063737.db2.gz KNCZENDUIBEJRJ-WFASDCNBSA-N 1 0 369.494 3.384 10 0 FGAERO c1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCCc3nc(-c4ccccc4)sc31)CC2 ZINC000180607118 496065863 /nfs/dbraw/zinc/06/58/63/496065863.db2.gz ACBBBFHLQDCPRP-LSDHHAIUSA-N 1 0 351.479 3.384 10 0 FGAERO CN(CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)C(=O)c1ccsc1 ZINC000177456693 496068191 /nfs/dbraw/zinc/06/81/91/496068191.db2.gz FFQVDYZRRXWOFK-IBGZPJMESA-N 1 0 358.507 3.266 10 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/nfs/dbraw/zinc/09/33/60/496093360.db2.gz YZBDBRDEZBRVSP-HXUWFJFHSA-N 1 0 352.478 3.265 10 0 FGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000177518127 496094223 /nfs/dbraw/zinc/09/42/23/496094223.db2.gz RIJFZQBAXAMQDA-ZWKOTPCHSA-N 1 0 356.470 3.126 10 0 FGAERO C[C@H]1C[C@H](C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)CC(C)(C)C1 ZINC000183729039 496095243 /nfs/dbraw/zinc/09/52/43/496095243.db2.gz GEDHBQYIUAGNAN-LPHOPBHVSA-N 1 0 373.541 3.057 10 0 FGAERO C[C@H](C1CC1)N(C(=O)C[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1)C1CC1 ZINC000180666214 496095787 /nfs/dbraw/zinc/09/57/87/496095787.db2.gz STLKXXCVYFFFLN-JKSUJKDBSA-N 1 0 352.482 3.312 10 0 FGAERO Cc1ccccc1CCNC(=O)C[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000180668375 496096374 /nfs/dbraw/zinc/09/63/74/496096374.db2.gz OBYPSAHJUMAEPG-SFHVURJKSA-N 1 0 362.477 3.190 10 0 FGAERO CCC[C@@H](C(=O)N1CCc2c(Br)ccc(F)c2C1)[NH+](C)C ZINC000183761488 496108052 /nfs/dbraw/zinc/10/80/52/496108052.db2.gz NSLVVBSYKODURK-HNNXBMFYSA-N 1 0 357.267 3.203 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373.497 3.225 10 0 FGAERO CC(C)c1nc2c(n1C)CC[N@H+](CC1CCN(C(=O)C(C)(C)C)CC1)C2 ZINC000181693960 496506452 /nfs/dbraw/zinc/50/64/52/496506452.db2.gz LKFFRTIZCDXONY-UHFFFAOYSA-N 1 0 360.546 3.186 10 0 FGAERO CC(C)(C)C(=O)N1CCC(C[N@@H+]2CC[C@H](CNc3ccccn3)C2)CC1 ZINC000181712515 496513494 /nfs/dbraw/zinc/51/34/94/496513494.db2.gz STVOASCVLKWDRC-GOSISDBHSA-N 1 0 358.530 3.100 10 0 FGAERO Cc1cc(C)cc([C@@H](C)NC(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000181727018 496519887 /nfs/dbraw/zinc/51/98/87/496519887.db2.gz MSDMCFSCJAKOKK-ZWKOTPCHSA-N 1 0 361.530 3.099 10 0 FGAERO Cn1c(CN2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)nnc1C1CC1 ZINC000178645503 496528265 /nfs/dbraw/zinc/52/82/65/496528265.db2.gz AVUDVFPVJXIFFO-WOJBJXKFSA-N 1 0 365.525 3.179 10 0 FGAERO COc1cc([C@H](C)NC(=O)[C@H]2CCC[NH2+]C2)ccc1OCc1ccccc1 ZINC000153651234 496533508 /nfs/dbraw/zinc/53/35/08/496533508.db2.gz SHTKYVVOXLAFRI-LPHOPBHVSA-N 1 0 368.477 3.451 10 0 FGAERO O=C(N[C@H](c1cccc(F)c1F)C(F)(F)F)N1CC[N@@H+]2CCC[C@@H]2C1 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359.514 3.252 10 0 FGAERO Cc1nccn1C[C@H]1CCCN1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000176028754 496650487 /nfs/dbraw/zinc/65/04/87/496650487.db2.gz AIOZXTVSSMIGBP-HXUWFJFHSA-N 1 0 373.545 3.020 10 0 FGAERO CC(=O)CC(C)(C)CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000188013266 496651048 /nfs/dbraw/zinc/65/10/48/496651048.db2.gz DPEIYZCCXACBJX-INIZCTEOSA-N 1 0 365.543 3.127 10 0 FGAERO CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@H](C)c2ccc(C(C)C)cc2)CC1 ZINC000173399776 496675136 /nfs/dbraw/zinc/67/51/36/496675136.db2.gz REEPZOSCHDARRC-RTBURBONSA-N 1 0 374.573 3.444 10 0 FGAERO CC(C)([NH2+]C[C@@H](O)COc1cccc(Br)c1)c1nccs1 ZINC000173416206 496683832 /nfs/dbraw/zinc/68/38/32/496683832.db2.gz XUPTUSQKTWOFRG-GFCCVEGCSA-N 1 0 371.300 3.170 10 0 FGAERO Cn1cc([C@H]2CC[N@H+](CCc3nc(-c4cccc(Cl)c4)no3)C2)cn1 ZINC000158414227 496696516 /nfs/dbraw/zinc/69/65/16/496696516.db2.gz RLCVFAHZCDTVLJ-AWEZNQCLSA-N 1 0 357.845 3.156 10 0 FGAERO CCn1c(C[N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)nc2cc(F)ccc21 ZINC000188145619 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ZINC000111383226 700548004 /nfs/dbraw/zinc/54/80/04/700548004.db2.gz NUQIZCKGBYXFFY-ABAIWWIYSA-N 1 0 350.260 3.496 10 0 FGAERO CC[C@@H]1CN(Cn2c3ccccc3n(CC)c2=S)CC[N@@H+]1CCOC ZINC000117325365 700602455 /nfs/dbraw/zinc/60/24/55/700602455.db2.gz ZOFXFAWARQNNJO-MRXNPFEDSA-N 1 0 362.543 3.192 10 0 FGAERO O=C(N[C@@H]1CC[NH2+]C1)c1ccc(-c2ccc(Br)cc2)s1 ZINC000126565526 700749878 /nfs/dbraw/zinc/74/98/78/700749878.db2.gz URVUERQMHMSTIA-GFCCVEGCSA-N 1 0 351.269 3.269 10 0 FGAERO Cc1cc(C)n(CCC[NH2+]C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 ZINC000129941041 700794041 /nfs/dbraw/zinc/79/40/41/700794041.db2.gz WHRJHWJJQMTUDD-KRWDZBQOSA-N 1 0 350.507 3.127 10 0 FGAERO COc1ccc([C@H](C)NC(=O)[C@]2(C)CCCC[NH2+]2)cc1Br ZINC000136148413 704858320 /nfs/dbraw/zinc/85/83/20/704858320.db2.gz QZHXTASEOBHDMH-ZBEGNZNMSA-N 1 0 355.276 3.167 10 0 FGAERO Cc1ccc(NC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)c(Br)n1 ZINC000151341384 704919976 /nfs/dbraw/zinc/91/99/76/704919976.db2.gz ZXTAJGZAWGTWIC-GXFFZTMASA-N 1 0 355.280 3.003 10 0 FGAERO COc1ccc([C@H](C)[NH2+]CC2(O)CCSCC2)cc1Br ZINC000151558054 704928402 /nfs/dbraw/zinc/92/84/02/704928402.db2.gz IXDGZHMMDITFAN-NSHDSACASA-N 1 0 360.317 3.366 10 0 FGAERO C[NH+](C)C[C@H]1CN(Cn2cc(C(F)(F)F)cc(Cl)c2=S)CCO1 ZINC000152970585 704980827 /nfs/dbraw/zinc/98/08/27/704980827.db2.gz OMIVJJXDYDTOPQ-NSHDSACASA-N 1 0 369.840 3.110 10 0 FGAERO CC(C)(C)OC(=O)N1CCC[C@H](C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)C1 ZINC000160941068 705265224 /nfs/dbraw/zinc/26/52/24/705265224.db2.gz RMTJXVPFIFLSPO-MBOZVWFJSA-N 1 0 352.519 3.261 10 0 FGAERO CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000170710735 705357334 /nfs/dbraw/zinc/35/73/34/705357334.db2.gz DOZVJSZOKVQGSQ-KGLIPLIRSA-N 1 0 369.531 3.160 10 0 FGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000175399641 705545532 /nfs/dbraw/zinc/54/55/32/705545532.db2.gz RMYAYTBLTUYAKF-ZACQAIPSSA-N 1 0 367.559 3.322 10 0 FGAERO C[C@H]([NH2+]CC(=O)N1CCO[C@H]2CCCC[C@@H]21)c1ccc(F)c(Cl)c1 ZINC000180720572 705754887 /nfs/dbraw/zinc/75/48/87/705754887.db2.gz VSGYYHSYEONOSR-ZLIFDBKOSA-N 1 0 354.853 3.300 10 0 FGAERO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+][C@@H]1C[C@@H]1C ZINC000182276920 705833535 /nfs/dbraw/zinc/83/35/35/705833535.db2.gz IFGMXGHDHLFNKU-SMDDNHRTSA-N 1 0 356.260 3.197 10 0 FGAERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1c(Cl)nc2ccccn21 ZINC000182534117 705848631 /nfs/dbraw/zinc/84/86/31/705848631.db2.gz NQHDQFKNZIEPOJ-AWEZNQCLSA-N 1 0 356.857 3.238 10 0 FGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000182655740 705855378 /nfs/dbraw/zinc/85/53/78/705855378.db2.gz GFKPFAVJTUBSDM-LLVKDONJSA-N 1 0 372.263 3.063 10 0 FGAERO CNC(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(Cl)s2)c1 ZINC000183011665 705873738 /nfs/dbraw/zinc/87/37/38/705873738.db2.gz CFLWHXCWQPVNJR-WDEREUQCSA-N 1 0 365.886 3.439 10 0 FGAERO CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@H](C)c2ccc(Cl)s2)cc1 ZINC000183009143 705873834 /nfs/dbraw/zinc/87/38/34/705873834.db2.gz AGLMTUDUKYOGPE-BXUZGUMPSA-N 1 0 368.886 3.450 10 0 FGAERO C[C@H]([NH2+][C@@H](C)c1ccc(Cl)s1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000183021063 705874200 /nfs/dbraw/zinc/87/42/00/705874200.db2.gz JORWHOAJHFTZMC-IUCAKERBSA-N 1 0 364.858 3.249 10 0 FGAERO Cc1csc([C@H](C)CNC(=O)N[C@@H](C)C[N@H+](C)Cc2ccccc2)n1 ZINC000183850631 705906103 /nfs/dbraw/zinc/90/61/03/705906103.db2.gz FQDQICAEFGUVQG-CABCVRRESA-N 1 0 360.527 3.375 10 0 FGAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N1Cc2cccc(Br)c2C1 ZINC000184222846 705924330 /nfs/dbraw/zinc/92/43/30/705924330.db2.gz IXDAOCGISVFFMW-SFHVURJKSA-N 1 0 373.294 3.464 10 0 FGAERO CC[C@H]([NH2+]CCC(=O)NC(C)C)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000188650602 712774326 /nfs/dbraw/zinc/77/43/26/712774326.db2.gz HEDFIFCKUFQNOE-HOTGVXAUSA-N 1 0 355.523 3.059 10 0 FGAERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1csc(C(F)(F)F)n1 ZINC000189555595 712797420 /nfs/dbraw/zinc/79/74/20/712797420.db2.gz LLONCGNGOIKYHN-NSHDSACASA-N 1 0 357.401 3.412 10 0 FGAERO COC(=O)C1CCC([NH2+][C@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000192443630 712862718 /nfs/dbraw/zinc/86/27/18/712862718.db2.gz BFZTYEYKIFGVLF-KNIAUWFNSA-N 1 0 354.491 3.001 10 0 FGAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1cc(NC(=O)NC(C)(C)C)ccc1Cl ZINC000193506666 712893924 /nfs/dbraw/zinc/89/39/24/712893924.db2.gz WLTPBXQWXYNQSH-XHDPSFHLSA-N 1 0 366.893 3.130 10 0 FGAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 ZINC000238078946 713600762 /nfs/dbraw/zinc/60/07/62/713600762.db2.gz SIBUWCIOFYDJQK-KDOFPFPSSA-N 1 0 356.853 3.428 10 0 FGAERO CC[C@@H]1CN(C[C@@H](O)c2ccc(Cl)cc2Cl)CC[N@@H+]1CCOC ZINC000245654134 713609219 /nfs/dbraw/zinc/60/92/19/713609219.db2.gz NRANSYKIXHQGKT-RHSMWYFYSA-N 1 0 361.313 3.069 10 0 FGAERO S=c1n(CN2CC[N@@H+]3CCC[C@H]3C2)nc(C2CC2)n1-c1ccccc1 ZINC000247019678 713634330 /nfs/dbraw/zinc/63/43/30/713634330.db2.gz JKFCOOQKRBUNPS-KRWDZBQOSA-N 1 0 355.511 3.018 10 0 FGAERO CC(C)(C)OC(=O)N1CCC[C@H](C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)C1 ZINC000248157194 713646470 /nfs/dbraw/zinc/64/64/70/713646470.db2.gz RMTJXVPFIFLSPO-HLIPFELVSA-N 1 0 352.519 3.261 10 0 FGAERO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2CCCC[C@H]2O)cc1 ZINC000248515603 713652158 /nfs/dbraw/zinc/65/21/58/713652158.db2.gz OHBQWYRTUMPIER-GSEOLPGOSA-N 1 0 365.539 3.221 10 0 FGAERO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](C[C@@H](O)C3CCCCC3)C[C@H]12 ZINC000249158606 713664555 /nfs/dbraw/zinc/66/45/55/713664555.db2.gz ZHKLLIQNABJNPP-XMTFNYHQSA-N 1 0 352.519 3.163 10 0 FGAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1 ZINC000261664041 713712562 /nfs/dbraw/zinc/71/25/62/713712562.db2.gz FLCYGNBMAVRVHW-IAQYHMDHSA-N 1 0 352.360 3.205 10 0 FGAERO C[NH2+][C@@H](C)Cc1noc([C@@H](NC(=O)c2ccc(Cl)cc2)C(C)C)n1 ZINC000261810085 713714594 /nfs/dbraw/zinc/71/45/94/713714594.db2.gz PTAVQEOPBNZDJG-NHYWBVRUSA-N 1 0 350.850 3.001 10 0 FGAERO C[NH2+][C@H](C)CNC(=O)C1(c2cccc(Br)c2)CCCCC1 ZINC000261839420 713715240 /nfs/dbraw/zinc/71/52/40/713715240.db2.gz WCPCZTFBWXCXLH-CYBMUJFWSA-N 1 0 353.304 3.375 10 0 FGAERO C[C@]1([NH3+])CCCC[C@@H]1C(=O)N[C@H]1CCOc2ccc(Br)cc21 ZINC000263030246 713734418 /nfs/dbraw/zinc/73/44/18/713734418.db2.gz RVGAXCVFJUDPMK-KEYYUXOJSA-N 1 0 367.287 3.297 10 0 FGAERO CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@H]1CCC[C@H]1[NH2+]CC1CC(O)C1 ZINC000310516240 713799305 /nfs/dbraw/zinc/79/93/05/713799305.db2.gz ZLWQIUHVUFQFQJ-NHHFINERSA-N 1 0 352.519 3.305 10 0 FGAERO O=C(N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)c1cc(Cl)ccn1 ZINC000311190385 713801370 /nfs/dbraw/zinc/80/13/70/713801370.db2.gz CKYYIWKXCXRZIL-BPQIPLTHSA-N 1 0 355.869 3.375 10 0 FGAERO C[N@@H+]1CC[C@H]2CN(C(=O)c3cc(Br)ccc3Cl)C[C@@H]2C1 ZINC000380693272 713977258 /nfs/dbraw/zinc/97/72/58/713977258.db2.gz FQYKXDOJVHAAGH-QWRGUYRKSA-N 1 0 357.679 3.126 10 0 FGAERO Cc1cc(Br)cnc1N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000630528267 716470303 /nfs/dbraw/zinc/47/03/03/716470303.db2.gz YTGCFRASHJMJCT-ONGXEEELSA-N 1 0 352.198 3.116 10 0 FGAERO CC[C@H]([NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)c1ccccc1F ZINC000702851556 722411016 /nfs/dbraw/zinc/41/10/16/722411016.db2.gz NRQMKUMRGCPGIB-RRQGHBQHSA-N 1 0 352.450 3.094 10 0 FGAERO CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C[NH2+][C@H]2CCSc3ccccc32)C1 ZINC000705673214 722411741 /nfs/dbraw/zinc/41/17/41/722411741.db2.gz GGATUMCZLPMRHP-KBMXLJTQSA-N 1 0 364.511 3.041 10 0 FGAERO C[C@H]([NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)c1cccc(Cl)c1 ZINC000705765390 722411925 /nfs/dbraw/zinc/41/19/25/722411925.db2.gz QQOFSBINMQUVSD-NOLJZWGESA-N 1 0 354.878 3.218 10 0 FGAERO Cn1cccc1C[N@@H+](Cc1ccccc1)C[C@H](O)COCc1ccco1 ZINC000004882151 204172178 /nfs/dbraw/zinc/17/21/78/204172178.db2.gz GMJVSFLWMNWRRN-FQEVSTJZSA-N 1 0 354.450 3.198 10 0 FGAERO CC(C)[C@@H](C[NH+](C)C)NCc1cc(Br)c(Br)o1 ZINC000050361269 205178731 /nfs/dbraw/zinc/17/87/31/205178731.db2.gz KANYHPSMWOFEDA-LLVKDONJSA-N 1 0 368.113 3.480 10 0 FGAERO COC[C@@H](C)[NH2+]CCOc1ccc(Br)cc1Br ZINC000053586658 205195208 /nfs/dbraw/zinc/19/52/08/205195208.db2.gz FRXJATDTERIBRT-SECBINFHSA-N 1 0 367.081 3.215 10 0 FGAERO C[C@]1(C(=O)Nc2ccc(Br)cc2Br)CC[NH2+]C1 ZINC000062892136 205292145 /nfs/dbraw/zinc/29/21/45/205292145.db2.gz YQBCJXZFCNMEOI-LBPRGKRZSA-N 1 0 362.065 3.150 10 0 FGAERO COc1ccc(OC)c([C@H]([NH3+])c2ccccc2I)c1 ZINC000019967649 206328714 /nfs/dbraw/zinc/32/87/14/206328714.db2.gz FKNVGHZSYYIDIL-OAHLLOKOSA-N 1 0 369.202 3.357 10 0 FGAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000176436049 257365417 /nfs/dbraw/zinc/36/54/17/257365417.db2.gz XHNRZGCRXTYWGF-GFCCVEGCSA-N 1 0 359.297 3.158 10 0 FGAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2cccc(-n3cccn3)c2)C12CCOCC2 ZINC000249032309 257370977 /nfs/dbraw/zinc/37/09/77/257370977.db2.gz SQTXQTDDUUIZBN-NSISKUIASA-N 1 0 355.482 3.497 10 0 FGAERO CCOC(=O)c1cnc2c(c(C)nn2C)c1NC1CC[NH+](C(C)(C)C)CC1 ZINC000302102046 257383857 /nfs/dbraw/zinc/38/38/57/257383857.db2.gz LRESZOHVQVGSMS-UHFFFAOYSA-N 1 0 373.501 3.128 10 0 FGAERO CC[NH+]1CCN(c2ncnc(Nc3ccc(Cl)cc3Cl)c2N)CC1 ZINC000040726683 136119939 /nfs/dbraw/zinc/11/99/39/136119939.db2.gz VTEKEZAVQMEECT-UHFFFAOYSA-N 1 0 367.284 3.251 10 0 FGAERO CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+]Cc1ccnc(Br)c1 ZINC000095085796 494959951 /nfs/dbraw/zinc/95/99/51/494959951.db2.gz WFHNOKUEDBDFBL-ZDUSSCGKSA-N 1 0 370.291 3.333 10 0 FGAERO COC(=O)c1ccc(F)c(NC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)c1 ZINC000048109290 493787100 /nfs/dbraw/zinc/78/71/00/493787100.db2.gz LXDJRCLAGAQESW-KRWDZBQOSA-N 1 0 359.401 3.037 10 0 FGAERO COc1cc(NC(=O)N[C@H](C[NH+](C)C)c2ccccc2)ccc1NC(C)=O ZINC000048386776 493824625 /nfs/dbraw/zinc/82/46/25/493824625.db2.gz FIPIZICBSRVICY-GOSISDBHSA-N 1 0 370.453 3.078 10 0 FGAERO C[C@H](NC(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1ccc2ccccc2c1 ZINC000049172798 493864140 /nfs/dbraw/zinc/86/41/40/493864140.db2.gz UMOUBUWAVFERMR-OXJNMPFZSA-N 1 0 355.482 3.047 10 0 FGAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1ccc(F)cc1Br ZINC000083704091 494031448 /nfs/dbraw/zinc/03/14/48/494031448.db2.gz RXXMJEIUYUJQLP-DGCLKSJQSA-N 1 0 355.251 3.287 10 0 FGAERO C[NH+](C)C[C@H](NC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)c1ccccc1 ZINC000052555320 494038543 /nfs/dbraw/zinc/03/85/43/494038543.db2.gz KRWQEXJPUDXFFQ-SFTDATJTSA-N 1 0 368.477 3.277 10 0 FGAERO Cc1cc(I)ccc1NC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000070575064 494045353 /nfs/dbraw/zinc/04/53/53/494045353.db2.gz ZJQCXEQJGRVIBS-CMPLNLGQSA-N 1 0 358.223 3.056 10 0 FGAERO C[C@@H]([NH2+][C@H](C)c1ccc2c(c1)OCCO2)C(=O)Nc1ccc(F)c(F)c1 ZINC000052658482 494051479 /nfs/dbraw/zinc/05/14/79/494051479.db2.gz TUHDDFNFDZXANU-VXGBXAGGSA-N 1 0 362.376 3.414 10 0 FGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N(CCCO)[C@@H]1CCc2ccccc21 ZINC000085392034 494119443 /nfs/dbraw/zinc/11/94/43/494119443.db2.gz QKFLRTBPZLAJQF-UYAOXDASSA-N 1 0 361.530 3.044 10 0 FGAERO C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCO2)C(=O)N[C@@H](C)c1ccccc1 ZINC000078315167 494277341 /nfs/dbraw/zinc/27/73/41/494277341.db2.gz YJKFDYBSWJZNPX-JYJNAYRXSA-N 1 0 354.450 3.374 10 0 FGAERO O=C(NC[C@H](O)C[NH+]1CCCCC1)Nc1ccccc1-c1ccccc1 ZINC000043328798 494287253 /nfs/dbraw/zinc/28/72/53/494287253.db2.gz JUMSPMVENFJPPG-SFHVURJKSA-N 1 0 353.466 3.322 10 0 FGAERO CC[N@@H+]1CCC[C@@H](NC(=O)N(C)Cc2csc(Br)c2)C1 ZINC000066338819 494315919 /nfs/dbraw/zinc/31/59/19/494315919.db2.gz QOBHLUMFRIUVCT-GFCCVEGCSA-N 1 0 360.321 3.136 10 0 FGAERO CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000089732807 494350407 /nfs/dbraw/zinc/35/04/07/494350407.db2.gz VXIQOZSPBGZLKS-ROUUACIJSA-N 1 0 370.497 3.074 10 0 FGAERO c1ccc2c(c1)OC1(CCC1)C[C@@H]2[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000089733482 494350423 /nfs/dbraw/zinc/35/04/23/494350423.db2.gz HMIPYFXTDGMOBF-WMZOPIPTSA-N 1 0 350.466 3.482 10 0 FGAERO C[C@@H](NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1Br ZINC000073489980 494376834 /nfs/dbraw/zinc/37/68/34/494376834.db2.gz CJOTZKSLKOZXMA-MCIONIFRSA-N 1 0 366.303 3.388 10 0 FGAERO COc1cccc(CNC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(OC)c(OC)c2)c1 ZINC000079306450 494433835 /nfs/dbraw/zinc/43/38/35/494433835.db2.gz LCOSKGVRVXBVAI-HUUCEWRRSA-N 1 0 372.465 3.068 10 0 FGAERO C[C@@H](NC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1)[C@@H]1CCCO1 ZINC000067044540 494462590 /nfs/dbraw/zinc/46/25/90/494462590.db2.gz ICCSQKYQQSEMMJ-XLIONFOSSA-N 1 0 359.514 3.108 10 0 FGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N1CCC[C@H]1c1ccc(OC)cc1OC ZINC000046280918 494512113 /nfs/dbraw/zinc/51/21/13/494512113.db2.gz BNHJDVYKCOYMJF-YJBOKZPZSA-N 1 0 363.502 3.281 10 0 FGAERO CC(C)[NH+](CCCNC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccccc1)C(C)C ZINC000074330030 494521086 /nfs/dbraw/zinc/52/10/86/494521086.db2.gz GEXMFQDUNSHSNA-PZJWPPBQSA-N 1 0 373.541 3.221 10 0 FGAERO CC(C)(C)OC[C@@H](O)C[NH+]1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000067486483 494550285 /nfs/dbraw/zinc/55/02/85/494550285.db2.gz VDHVRKNSCHZZJC-ZWKOTPCHSA-N 1 0 355.906 3.261 10 0 FGAERO Fc1ccccc1COc1cccc(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)c1 ZINC000121070804 494579737 /nfs/dbraw/zinc/57/97/37/494579737.db2.gz LOEKHMDQWABHAZ-HXUWFJFHSA-N 1 0 370.468 3.311 10 0 FGAERO Cc1ccc(N2CCCN(Cc3csc(-c4ccoc4)n3)CC2)nn1 ZINC000108372996 494690506 /nfs/dbraw/zinc/69/05/06/494690506.db2.gz XQNLCXVGMIFNJH-UHFFFAOYSA-N 1 0 355.467 3.214 10 0 FGAERO COC(=O)c1sccc1NC(=O)C[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000121337446 494708909 /nfs/dbraw/zinc/70/89/09/494708909.db2.gz ZQNLVIPWLDUXDM-VIFPVBQESA-N 1 0 354.378 3.102 10 0 FGAERO CCCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000092708637 494720638 /nfs/dbraw/zinc/72/06/38/494720638.db2.gz WRHHWLHWNWDSKN-KRWDZBQOSA-N 1 0 354.454 3.150 10 0 FGAERO CCc1ccc([C@H](C)NC(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000108540827 494733648 /nfs/dbraw/zinc/73/36/48/494733648.db2.gz CMEPMAYOKJPPPK-RXVVDRJESA-N 1 0 372.557 3.122 10 0 FGAERO CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000047634003 494750479 /nfs/dbraw/zinc/75/04/79/494750479.db2.gz ODPXGTHEBUUGCS-XLIONFOSSA-N 1 0 373.541 3.068 10 0 FGAERO O=C(CC[N@@H+]1CCC[C@H]1c1ccco1)N1CCN(c2ccc(F)cc2)CC1 ZINC000116290518 494752774 /nfs/dbraw/zinc/75/27/74/494752774.db2.gz HWEUFMIEIKSZRZ-IBGZPJMESA-N 1 0 371.456 3.295 10 0 FGAERO C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC[C@@H]1c1ccco1 ZINC000116289446 494753795 /nfs/dbraw/zinc/75/37/95/494753795.db2.gz UIUXHADFJWRBCD-YZGWKJHDSA-N 1 0 367.493 3.196 10 0 FGAERO O=C(CC[N@@H+]1CCC[C@H]1c1ccco1)Nc1ccc(N2CCOCC2)cc1 ZINC000116288033 494753875 /nfs/dbraw/zinc/75/38/75/494753875.db2.gz QYOSKRGVPOHMKY-IBGZPJMESA-N 1 0 369.465 3.282 10 0 FGAERO CCOc1c(OC)cc(C[N@@H+]2CC[C@H](CNc3ccccn3)C2)cc1OC ZINC000092812869 494757464 /nfs/dbraw/zinc/75/74/64/494757464.db2.gz PKAIYKTTWOEUTK-MRXNPFEDSA-N 1 0 371.481 3.432 10 0 FGAERO COc1ccc(C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)c(OC)c1OC ZINC000092812541 494757873 /nfs/dbraw/zinc/75/78/73/494757873.db2.gz JJXSHCVAZZDUBH-HNNXBMFYSA-N 1 0 357.454 3.041 10 0 FGAERO COCCOc1ccccc1C[N@@H+]1CC[C@H](CNc2cccc(C)n2)C1 ZINC000092813316 494761892 /nfs/dbraw/zinc/76/18/92/494761892.db2.gz SQPJFOCUCPAVGT-GOSISDBHSA-N 1 0 355.482 3.349 10 0 FGAERO COc1cccc([C@H](CNC(=O)N[C@@H]2CCOc3ccccc32)[NH+](C)C)c1 ZINC000047865347 494784155 /nfs/dbraw/zinc/78/41/55/494784155.db2.gz XALJOMKTDIOXME-MOPGFXCFSA-N 1 0 369.465 3.121 10 0 FGAERO C[NH+](C)C[C@@H](NC(=O)c1cccc(OCC(F)(F)F)n1)c1ccccc1 ZINC000131965610 494787903 /nfs/dbraw/zinc/78/79/03/494787903.db2.gz KDIUHDOAFRHGNL-OAHLLOKOSA-N 1 0 367.371 3.055 10 0 FGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cc2c(cc1Cl)OCCCO2 ZINC000092225373 494814931 /nfs/dbraw/zinc/81/49/31/494814931.db2.gz OGMXMEFSDVHUOW-CHWSQXEVSA-N 1 0 365.861 3.202 10 0 FGAERO CN(Cc1nc2ccccc2[nH]1)C[C@@H](c1cccs1)N1CCOCC1 ZINC000121736445 494848401 /nfs/dbraw/zinc/84/84/01/494848401.db2.gz LJRPZXOLWYHACK-KRWDZBQOSA-N 1 0 356.495 3.130 10 0 FGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N(C)Cc2ccccc2N2CCCC2)C1 ZINC000132295607 494852216 /nfs/dbraw/zinc/85/22/16/494852216.db2.gz VMBMAIDZMOOJID-MJGOQNOKSA-N 1 0 358.530 3.157 10 0 FGAERO Cc1nn(CC(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)c(C)c1Cl ZINC000109304148 494857041 /nfs/dbraw/zinc/85/70/41/494857041.db2.gz XYRGIERSHRVPJY-SFHVURJKSA-N 1 0 374.916 3.324 10 0 FGAERO COc1c(CN(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c(C)nn1C ZINC000093318349 494868598 /nfs/dbraw/zinc/86/85/98/494868598.db2.gz XQIOPMLEVSYPHC-APWZRJJASA-N 1 0 356.514 3.222 10 0 FGAERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3c[nH]nc3-c3ccc(F)cc3)C2)n1 ZINC000121974415 494901458 /nfs/dbraw/zinc/90/14/58/494901458.db2.gz QJAZYNMALNTLHB-MRXNPFEDSA-N 1 0 368.460 3.336 10 0 FGAERO COc1ccc(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc1-c1ccccn1 ZINC000121984526 494904065 /nfs/dbraw/zinc/90/40/65/494904065.db2.gz CHJRVSPKOMLTIF-KRWDZBQOSA-N 1 0 355.482 3.463 10 0 FGAERO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2ccccc2OCC(=O)N(C)C)C12CCCC2 ZINC000093611058 494904247 /nfs/dbraw/zinc/90/42/47/494904247.db2.gz YARPIOMMSMOGTF-WOJBJXKFSA-N 1 0 374.525 3.323 10 0 FGAERO Cc1nc(C[C@@H]2CCC[N@H+](Cc3ccc(OC[C@@H]4CCCO4)cc3)C2)no1 ZINC000093789537 494921791 /nfs/dbraw/zinc/92/17/91/494921791.db2.gz PDOZDFSYKFBBSJ-ICSRJNTNSA-N 1 0 371.481 3.391 10 0 FGAERO O[C@@]12CCCC[C@@H]1C[N@H+](CCOc1ccccc1Br)CC2 ZINC000093793277 494922093 /nfs/dbraw/zinc/92/20/93/494922093.db2.gz HTSSRXZJHLIHMG-RHSMWYFYSA-N 1 0 354.288 3.455 10 0 FGAERO Cc1cc(C)n2c(C[N@@H+]3CCC[C@H]3C[C@H](O)c3ccccc3)cnc2n1 ZINC000093868233 494928734 /nfs/dbraw/zinc/92/87/34/494928734.db2.gz WJEAJZRUUNNBDL-ICSRJNTNSA-N 1 0 350.466 3.434 10 0 FGAERO C[C@H]([NH2+]C1CCN(C(=O)N(C)C)CC1)c1cccc(Br)c1 ZINC000132853312 494933526 /nfs/dbraw/zinc/93/35/26/494933526.db2.gz BENVWNYKJYESBR-LBPRGKRZSA-N 1 0 354.292 3.246 10 0 FGAERO CCN1CCC[C@H]([NH2+][C@@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)C1 ZINC000132991741 494953945 /nfs/dbraw/zinc/95/39/45/494953945.db2.gz HNMCPTXEWJNEFT-YJBOKZPZSA-N 1 0 351.922 3.151 10 0 FGAERO CCN1CCC[C@H]([NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000132996981 494954792 /nfs/dbraw/zinc/95/47/92/494954792.db2.gz FMBSNDLSKPXOGS-BBRMVZONSA-N 1 0 368.319 3.240 10 0 FGAERO CN(CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)C(=O)C(C1CC1)C1CC1 ZINC000133330298 495001197 /nfs/dbraw/zinc/00/11/97/495001197.db2.gz GYLHDCXIAFKQOU-NRFANRHFSA-N 1 0 370.537 3.327 10 0 FGAERO O=C(N[C@@H](Cc1ccccc1)C(F)(F)F)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000122598070 495001743 /nfs/dbraw/zinc/00/17/43/495001743.db2.gz YLOIIUDAADJJNK-SJORKVTESA-N 1 0 369.431 3.287 10 0 FGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000122622721 495005174 /nfs/dbraw/zinc/00/51/74/495005174.db2.gz PTPZWRSNRJFOPS-BMFZPTHFSA-N 1 0 355.404 3.038 10 0 FGAERO CC[NH+](CC)[C@H](C(=O)N1CCO[C@H](c2nccs2)C1)c1ccccc1 ZINC000110873006 495015453 /nfs/dbraw/zinc/01/54/53/495015453.db2.gz KJXUVMFCQXAQDV-IRXDYDNUSA-N 1 0 359.495 3.126 10 0 FGAERO COc1cc(C[N@@H+]2CCC[C@H]2c2c(C)nn(C)c2C)cc2c1OCCO2 ZINC000122753384 495025660 /nfs/dbraw/zinc/02/56/60/495025660.db2.gz QHSKAUOQSVWKJP-INIZCTEOSA-N 1 0 357.454 3.154 10 0 FGAERO COc1ccc([C@H](C)[NH2+][C@@H](C)CS(=O)(=O)c2ccccc2)cc1OC ZINC000122796264 495031963 /nfs/dbraw/zinc/03/19/63/495031963.db2.gz XBTVTLOXAVWJFJ-GJZGRUSLSA-N 1 0 363.479 3.217 10 0 FGAERO CC(C)C[NH+]1CCN(C(=O)N[C@@H](C)c2ccccc2Br)CC1 ZINC000097394961 495034979 /nfs/dbraw/zinc/03/49/79/495034979.db2.gz AVUKOHDXMLFZIT-AWEZNQCLSA-N 1 0 368.319 3.493 10 0 FGAERO COc1cc(C[N@@H+]2CCC[C@@H]2c2c(C)nn(C)c2C)cc(OC)c1OC ZINC000122801656 495033701 /nfs/dbraw/zinc/03/37/01/495033701.db2.gz RDOJJBBEGYKIBQ-MRXNPFEDSA-N 1 0 359.470 3.400 10 0 FGAERO CCc1ccc(Cl)c(CC)c1NC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000118793708 495036814 /nfs/dbraw/zinc/03/68/14/495036814.db2.gz WLPOBQMJMBMGBW-AWEZNQCLSA-N 1 0 353.894 3.259 10 0 FGAERO C[NH+](C)C[C@H]1CN(C(=O)Nc2ccccc2Oc2ccccc2)CCO1 ZINC000118793024 495036900 /nfs/dbraw/zinc/03/69/00/495036900.db2.gz ZVTWWURLIOARCT-KRWDZBQOSA-N 1 0 355.438 3.273 10 0 FGAERO Oc1cccc(C[NH+]2CCC(Nc3nccc(-c4ccncc4)n3)CC2)c1 ZINC000097522366 495037604 /nfs/dbraw/zinc/03/76/04/495037604.db2.gz LCDXMAGTRLOJOG-UHFFFAOYSA-N 1 0 361.449 3.321 10 0 FGAERO CC(C)Cn1ccc2cc(NC(=O)N3CCO[C@@H](C[NH+](C)C)C3)ccc21 ZINC000118815945 495041449 /nfs/dbraw/zinc/04/14/49/495041449.db2.gz HNZOHXKPLZLANF-SFHVURJKSA-N 1 0 358.486 3.092 10 0 FGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(OC)c(-c2ccccn2)c1 ZINC000133696045 495047722 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CCc1ccc2c(C[NH+]3CCC(Nc4cccnn4)CC3)cc(=O)oc2c1 ZINC000106082487 495412352 /nfs/dbraw/zinc/41/23/52/495412352.db2.gz YYKWQLJJJPZSDR-UHFFFAOYSA-N 1 0 364.449 3.222 10 0 FGAERO C[C@H]([NH2+]CC(=O)NC(=O)N[C@H]1CCCC[C@H]1C)c1ccc(F)c(F)c1 ZINC000120596422 495413260 /nfs/dbraw/zinc/41/32/60/495413260.db2.gz OHAPQIBCWGCQSB-WQGACYEGSA-N 1 0 353.413 3.020 10 0 FGAERO COc1cc(NC(=O)C[NH2+][C@H](C)c2ccc(F)c(F)c2)cc(OC)c1 ZINC000120606546 495416291 /nfs/dbraw/zinc/41/62/91/495416291.db2.gz CEODIPHMWBJZGL-LLVKDONJSA-N 1 0 350.365 3.271 10 0 FGAERO CCOCC[N@@H+]1CCN([C@@H](C)C(=O)Nc2c(C)cccc2C)C[C@@H]1CC ZINC000106117895 495416820 /nfs/dbraw/zinc/41/68/20/495416820.db2.gz SBOMBIVUTPBGPN-OALUTQOASA-N 1 0 361.530 3.063 10 0 FGAERO COc1ccc(CCNC(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2C)cc1OC ZINC000114745536 495420358 /nfs/dbraw/zinc/42/03/58/495420358.db2.gz QYHWYIHJWBHTHP-SJORKVTESA-N 1 0 370.493 3.410 10 0 FGAERO Cc1cc(CN2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)ccc1Oc1cccnc1 ZINC000120634718 495423587 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3.247 10 0 FGAERO O=C(CCc1ccc(Br)cc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000176198391 495542296 /nfs/dbraw/zinc/54/22/96/495542296.db2.gz QEISNBFPWQBBOZ-MRXNPFEDSA-N 1 0 351.288 3.078 10 0 FGAERO Cc1csc([C@H]2CCCN(C(=O)NC[C@@H](C)C[NH+]3CCCC3)C2)n1 ZINC000173487129 495553930 /nfs/dbraw/zinc/55/39/30/495553930.db2.gz GWRUFCIYMDNXNA-ZBFHGGJFSA-N 1 0 350.532 3.072 10 0 FGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1c(C)cccc1C(=O)N1CCCC1 ZINC000176288833 495581092 /nfs/dbraw/zinc/58/10/92/495581092.db2.gz QXJXPINHCYBWOA-KRWDZBQOSA-N 1 0 372.513 3.179 10 0 FGAERO C[C@@H]([NH2+]CC(=O)Nc1ccnn1C1CCCC1)c1ccc2c(c1)OCCO2 ZINC000170738835 495583592 /nfs/dbraw/zinc/58/35/92/495583592.db2.gz YODQVPVJXPISFU-CQSZACIVSA-N 1 0 370.453 3.059 10 0 FGAERO Cc1ccc([C@@H](CNC(=O)N2CCCC[C@H]2c2cn[nH]c2)[NH+](C)C)cc1 ZINC000182497612 495586053 /nfs/dbraw/zinc/58/60/53/495586053.db2.gz MCPDTZYUYWXGGX-RBUKOAKNSA-N 1 0 355.486 3.258 10 0 FGAERO C[NH+](C)Cc1cccc(C(=O)N2CCCC[C@@H]2c2nnc3n2CCCC3)c1 ZINC000176303993 495587470 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CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCCN2c2cc(NC)ncn2)cc1 ZINC000180570355 496048242 /nfs/dbraw/zinc/04/82/42/496048242.db2.gz JOFGNBVEAMNVOS-RDJZCZTQSA-N 1 0 355.486 3.237 10 0 FGAERO CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCN2c2cc(NC)ncn2)cc1 ZINC000180570337 496048439 /nfs/dbraw/zinc/04/84/39/496048439.db2.gz JOFGNBVEAMNVOS-WBVHZDCISA-N 1 0 355.486 3.237 10 0 FGAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)C(C)(C)c2cccc(Cl)c2)CC1 ZINC000177443785 496063810 /nfs/dbraw/zinc/06/38/10/496063810.db2.gz TWWBEIKPCAQFGH-OAHLLOKOSA-N 1 0 366.933 3.169 10 0 FGAERO Fc1cccc(C[C@@H]([NH2+][C@@H]2CCc3ncnn3C2)c2cccc(F)c2)c1 ZINC000180606699 496065498 /nfs/dbraw/zinc/06/54/98/496065498.db2.gz TWRDILLEEJTVKX-RTBURBONSA-N 1 0 354.404 3.445 10 0 FGAERO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[NH2+][C@@H](CO)c1ccccc1 ZINC000183663016 496068204 /nfs/dbraw/zinc/06/82/04/496068204.db2.gz IDHVXWOFAWJVNT-GUYCJALGSA-N 1 0 362.857 3.307 10 0 FGAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cc(Br)ccc1F)CC2 ZINC000180618196 496071514 /nfs/dbraw/zinc/07/15/14/496071514.db2.gz QPINMALZKHYECD-PWSUYJOCSA-N 1 0 367.266 3.408 10 0 FGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(OC(F)F)c(OC)c1)CC2 ZINC000180622887 496073809 /nfs/dbraw/zinc/07/38/09/496073809.db2.gz OUKMFWMPJZVJNK-WCQYABFASA-N 1 0 366.412 3.116 10 0 FGAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccccc1OC(F)(F)F)CC2 ZINC000180626734 496075204 /nfs/dbraw/zinc/07/52/04/496075204.db2.gz BBNQUZSQAHXJHU-NEPJUHHUSA-N 1 0 354.376 3.405 10 0 FGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1ccccc1N1CCCCC1 ZINC000183685047 496077443 /nfs/dbraw/zinc/07/74/43/496077443.db2.gz CKXLMBQIULJJPH-LJQANCHMSA-N 1 0 358.530 3.303 10 0 FGAERO CCc1ccc([C@@H](C)NC(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)cc1 ZINC000177488251 496081918 /nfs/dbraw/zinc/08/19/18/496081918.db2.gz QCEDPRSQAXCOAQ-CQSZACIVSA-N 1 0 368.481 3.292 10 0 FGAERO COC[C@H](Cc1ccccc1)[NH2+]C[C@@H](c1ccc(C)s1)N1CCOCC1 ZINC000180658114 496091150 /nfs/dbraw/zinc/09/11/50/496091150.db2.gz ZRDCVXMHVDJAKK-PMACEKPBSA-N 1 0 374.550 3.277 10 0 FGAERO Cc1csc2nc(C[NH2+][C@H](C)c3cccc(-n4ccnc4)c3)cc(=O)n12 ZINC000180667063 496095266 /nfs/dbraw/zinc/09/52/66/496095266.db2.gz AQRUEFKPPDFRSU-CQSZACIVSA-N 1 0 365.462 3.101 10 0 FGAERO CC[N@@H+]1CCC[C@@H](NC(=O)C2(c3cc(F)cc(C(F)(F)F)c3)CC2)C1 ZINC000186673870 496101470 /nfs/dbraw/zinc/10/14/70/496101470.db2.gz VDDFTDZWYOPCDB-OAHLLOKOSA-N 1 0 358.379 3.477 10 0 FGAERO C[NH+](C)C[C@H]1CN(C(=O)N[C@H](c2ccc(F)cc2F)C(C)(C)C)CCO1 ZINC000155943004 496113621 /nfs/dbraw/zinc/11/36/21/496113621.db2.gz NOKSMXCEEPABIA-WMLDXEAASA-N 1 0 369.456 3.024 10 0 FGAERO COc1cc(C[NH2+][C@@H]2CCCC[C@@H]2CO)ccc1OCc1ccncc1 ZINC000152346327 496122982 /nfs/dbraw/zinc/12/29/82/496122982.db2.gz VVNWVDIBDXDAEN-RTBURBONSA-N 1 0 356.466 3.310 10 0 FGAERO COc1cc(C[NH2+][C@H]2CCCC[C@H]2CO)ccc1OCc1ccncc1 ZINC000152346542 496123545 /nfs/dbraw/zinc/12/35/45/496123545.db2.gz VVNWVDIBDXDAEN-OALUTQOASA-N 1 0 356.466 3.310 10 0 FGAERO C[C@H](NC(=O)Nc1ccccc1)C(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000186812034 496162863 /nfs/dbraw/zinc/16/28/63/496162863.db2.gz AKAGUARUPWFGGT-KRWDZBQOSA-N 1 0 374.529 3.358 10 0 FGAERO c1c2c(sc1-c1nnc(CN3CC[N@@H+]4CCCC[C@@H]4C3)o1)CCCC2 ZINC000183969222 496181436 /nfs/dbraw/zinc/18/14/36/496181436.db2.gz JBFJBKICSRGULR-OAHLLOKOSA-N 1 0 358.511 3.347 10 0 FGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(N2CCCCCC2)nc1 ZINC000174967334 496186793 /nfs/dbraw/zinc/18/67/93/496186793.db2.gz LELGEWCISXVXRI-RTBURBONSA-N 1 0 356.514 3.161 10 0 FGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(C)n(Cc2ccccn2)c1C ZINC000174978880 496191181 /nfs/dbraw/zinc/19/11/81/496191181.db2.gz YWLITSQHGKYLMZ-VQTJNVASSA-N 1 0 366.509 3.247 10 0 FGAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](C2CC2)N(C)Cc2ccccc2)C12CCOCC2 ZINC000186876977 496192122 /nfs/dbraw/zinc/19/21/22/496192122.db2.gz PIYGTQHZHXXUSZ-BHDDXSALSA-N 1 0 372.553 3.461 10 0 FGAERO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)CC3 ZINC000180903070 496192929 /nfs/dbraw/zinc/19/29/29/496192929.db2.gz OHVZMFKIDNNZDT-DLBZAZTESA-N 1 0 361.493 3.382 10 0 FGAERO CC[C@@H]1CN(Cc2coc(-c3c(F)cccc3F)n2)CC[N@@H+]1CCOC ZINC000152612174 496202378 /nfs/dbraw/zinc/20/23/78/496202378.db2.gz GORLAFDKTRHASH-OAHLLOKOSA-N 1 0 365.424 3.162 10 0 FGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc2sc(N(C)C)nc2s1 ZINC000175029436 496216634 /nfs/dbraw/zinc/21/66/34/496216634.db2.gz HCGCXEODRAVVPT-VXGBXAGGSA-N 1 0 364.540 3.123 10 0 FGAERO COC(=O)c1cc(NC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)ccc1C ZINC000175033490 496218584 /nfs/dbraw/zinc/21/85/84/496218584.db2.gz FAICZDDJCUHLEZ-SFHVURJKSA-N 1 0 355.438 3.206 10 0 FGAERO [NH3+][C@H]1CC[C@H](C(=O)NCC2(c3cccc(Br)c3)CCC2)C1 ZINC000152681477 496223962 /nfs/dbraw/zinc/22/39/62/496223962.db2.gz NTCCSVIIAINIFM-WFASDCNBSA-N 1 0 351.288 3.114 10 0 FGAERO CCc1nccn1[C@H]1CCC[N@H+](Cc2ccc3c(c2)CCC(=O)N3C)C1 ZINC000186949518 496224585 /nfs/dbraw/zinc/22/45/85/496224585.db2.gz AYBCPSAFEKEBCG-SFHVURJKSA-N 1 0 352.482 3.192 10 0 FGAERO CCO[C@@H]1C[C@H](N(C)C(=O)NC2CC[NH+](C(C)C)CC2)C12CCCC2 ZINC000152893631 496288675 /nfs/dbraw/zinc/28/86/75/496288675.db2.gz MNIGTPUVPGHWAX-ZWKOTPCHSA-N 1 0 351.535 3.238 10 0 FGAERO COCCC[NH+]1CCC(NC(=O)N[C@H]2c3cc(C)ccc3C[C@H]2C)CC1 ZINC000181300883 496344770 /nfs/dbraw/zinc/34/47/70/496344770.db2.gz ILCWGGLEWJMENK-OXQOHEQNSA-N 1 0 359.514 3.028 10 0 FGAERO Cc1nn(-c2ccccc2C)c2sc(C(=O)N3CC[C@@H]([NH+](C)C)C3)cc12 ZINC000162603454 496380818 /nfs/dbraw/zinc/38/08/18/496380818.db2.gz LQXYBKQZCPMAHN-OAHLLOKOSA-N 1 0 368.506 3.480 10 0 FGAERO CCN(Cc1ccccc1)C(=O)[C@H](C)[N@@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000178295202 496402486 /nfs/dbraw/zinc/40/24/86/496402486.db2.gz HWXXRKVUGQIWGG-FXAWDEMLSA-N 1 0 354.498 3.093 10 0 FGAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1CCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000178311212 496408419 /nfs/dbraw/zinc/40/84/19/496408419.db2.gz FXAPPZYVNDORQM-PZJWPPBQSA-N 1 0 366.509 3.240 10 0 FGAERO Cc1ccccc1-c1cc(NC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)n(C)n1 ZINC000153408578 496444971 /nfs/dbraw/zinc/44/49/71/496444971.db2.gz NPMWBEYTKJYOJL-MAUKXSAKSA-N 1 0 355.486 3.246 10 0 FGAERO Cc1cc(Br)cc(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c1 ZINC000187512103 496471054 /nfs/dbraw/zinc/47/10/54/496471054.db2.gz XOSYIVXUJSYPDY-WFASDCNBSA-N 1 0 352.276 3.458 10 0 FGAERO C[C@@H](NC[C@H](O)C[NH+]1CCCCC1)c1cc(Br)ccc1F ZINC000178519138 496484782 /nfs/dbraw/zinc/48/47/82/496484782.db2.gz WDQYQGLYWOMGRR-OCCSQVGLSA-N 1 0 359.283 3.086 10 0 FGAERO CC(C)OC(=O)C[C@H]1CCC[N@H+](CCN(C)Cc2ccc(F)cc2)C1 ZINC000187554707 496488551 /nfs/dbraw/zinc/48/85/51/496488551.db2.gz KGSHTTYDKWMDNL-GOSISDBHSA-N 1 0 350.478 3.311 10 0 FGAERO Cc1cccc(NC[C@H]2CC[N@H+](CC3CCN(C(=O)C(C)(C)C)CC3)C2)n1 ZINC000181712927 496513576 /nfs/dbraw/zinc/51/35/76/496513576.db2.gz UWEOLAVUAVFDIQ-LJQANCHMSA-N 1 0 372.557 3.409 10 0 FGAERO Cc1cc(C)cc([C@H](C)NC(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000181727040 496520665 /nfs/dbraw/zinc/52/06/65/496520665.db2.gz MSDMCFSCJAKOKK-ROUUACIJSA-N 1 0 361.530 3.099 10 0 FGAERO CCC[C@H](C(=O)NCC1(c2ccc(Cl)cc2)CCOCC1)[NH+](C)C ZINC000178652922 496530578 /nfs/dbraw/zinc/53/05/78/496530578.db2.gz SRVBLZUOUZLHSX-QGZVFWFLSA-N 1 0 352.906 3.235 10 0 FGAERO C[C@@H]([NH3+])CCNC(=O)c1csc(-c2cc(Br)cs2)n1 ZINC000178665843 496534129 /nfs/dbraw/zinc/53/41/29/496534129.db2.gz FCRFBLNWSLWIHR-SSDOTTSWSA-N 1 0 360.302 3.101 10 0 FGAERO CC[C@H]1CN(C(=O)Nc2cccc(-c3nc(C)co3)c2)CC[N@@H+]1CCOC ZINC000157711563 496535464 /nfs/dbraw/zinc/53/54/64/496535464.db2.gz IADXGSHJYKUIJT-SFHVURJKSA-N 1 0 372.469 3.225 10 0 FGAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)NCCCC2CCCCC2)CC1 ZINC000184850432 496557342 /nfs/dbraw/zinc/55/73/42/496557342.db2.gz NLTCOANCBPSVQB-QGZVFWFLSA-N 1 0 353.551 3.081 10 0 FGAERO CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000175865437 496579339 /nfs/dbraw/zinc/57/93/39/496579339.db2.gz DHXZXDAMOYQKNK-SFTDATJTSA-N 1 0 356.510 3.237 10 0 FGAERO Brc1ccccc1CCC[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000181885705 496586118 /nfs/dbraw/zinc/58/61/18/496586118.db2.gz QQGIBODJXBWNNZ-HNNXBMFYSA-N 1 0 363.303 3.385 10 0 FGAERO COC(=O)c1ccsc1N1CC[C@H]([NH2+][C@H](C)c2ccccc2C)C1=O ZINC000173193911 496588218 /nfs/dbraw/zinc/58/82/18/496588218.db2.gz MMRURQNOCXZWNT-CJNGLKHVSA-N 1 0 358.463 3.299 10 0 FGAERO Cc1cc(C)c2nc(C3CC3)cc(C(=O)N3CCO[C@@H](C[NH+](C)C)C3)c2c1 ZINC000175900997 496594838 /nfs/dbraw/zinc/59/48/38/496594838.db2.gz IQEDWNQIDPMFAU-KRWDZBQOSA-N 1 0 367.493 3.132 10 0 FGAERO CC[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)c1cc(F)cc(Br)c1 ZINC000181935945 496604565 /nfs/dbraw/zinc/60/45/65/496604565.db2.gz IVGUOLSIVZPIJO-ZIAGYGMSSA-N 1 0 353.239 3.235 10 0 FGAERO C[NH+](C)C[C@@H]1CN(C(=O)Nc2ccccc2COc2ccccc2)CCO1 ZINC000158034111 496612393 /nfs/dbraw/zinc/61/23/93/496612393.db2.gz CRYQAKYYQJISMU-LJQANCHMSA-N 1 0 369.465 3.060 10 0 FGAERO C[C@H]1OCCC[C@@H]1C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000187897071 496612794 /nfs/dbraw/zinc/61/27/94/496612794.db2.gz GNQMFOKSVCIZBE-UZLBHIALSA-N 1 0 359.514 3.218 10 0 FGAERO CCCC[NH+]1CCC(NC(=O)N2CCC(c3cnn(CC)c3)CC2)CC1 ZINC000158332296 496678823 /nfs/dbraw/zinc/67/88/23/496678823.db2.gz JFPCVDSXVGQNCG-UHFFFAOYSA-N 1 0 361.534 3.057 10 0 FGAERO C[C@@H](NC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1)c1cccs1 ZINC000173421638 496686757 /nfs/dbraw/zinc/68/67/57/496686757.db2.gz FGYSTJZPHOBPIC-MRXNPFEDSA-N 1 0 364.559 3.059 10 0 FGAERO CC(C)n1ncc2cc(C[N@H+]3C[C@@H](c4ccsc4)[C@H](CO)C3)cnc21 ZINC000188127009 496694680 /nfs/dbraw/zinc/69/46/80/496694680.db2.gz XFYVQUSXRCMJPN-ROUUACIJSA-N 1 0 356.495 3.282 10 0 FGAERO CCOc1ccccc1OCC[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000182187990 496701327 /nfs/dbraw/zinc/70/13/27/496701327.db2.gz CVNLJACGJIKFJC-HNNXBMFYSA-N 1 0 363.479 3.218 10 0 FGAERO C[C@H]1CC[C@@H](NC(=O)N2CC[NH+](CC3CCOCC3)CC2)c2ccccc21 ZINC000179191899 496705937 /nfs/dbraw/zinc/70/59/37/496705937.db2.gz KCGGZKZDLQQIJC-LAUBAEHRSA-N 1 0 371.525 3.379 10 0 FGAERO O=C(Nc1cc(F)c(Br)cc1F)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000179210617 496713119 /nfs/dbraw/zinc/71/31/19/496713119.db2.gz GEMDQKKATJZRDO-VIFPVBQESA-N 1 0 360.202 3.039 10 0 FGAERO CC[C@@H]1C[N@H+](C[C@@H](C)Cc2ccc(OC)c(F)c2)CCN1CCOC ZINC000185247059 496716461 /nfs/dbraw/zinc/71/64/61/496716461.db2.gz UJMCOIITFPIIAR-FUHWJXTLSA-N 1 0 352.494 3.056 10 0 FGAERO Cc1nccn1C[C@H]1CCCN1C(=O)Nc1ccnn1-c1ccccc1C ZINC000182294762 496727179 /nfs/dbraw/zinc/72/71/79/496727179.db2.gz CJEFQVDTXBGSOL-QGZVFWFLSA-N 1 0 364.453 3.382 10 0 FGAERO COc1ccc([C@H](C)[C@@H](C)[NH2+][C@@H]2CCCN(c3cc(C)nn3C)C2=O)cc1 ZINC000182349216 496730858 /nfs/dbraw/zinc/73/08/58/496730858.db2.gz BSNHYGCIASPJHH-GPMSIDNRSA-N 1 0 370.497 3.014 10 0 FGAERO CC[C@@H]1CN(C(=O)CCCCCc2cccs2)CC[N@@H+]1C[C@H](C)O ZINC000247003045 496748072 /nfs/dbraw/zinc/74/80/72/496748072.db2.gz VUBDCUBHLFVXLX-DLBZAZTESA-N 1 0 352.544 3.155 10 0 FGAERO CCOCC[N@@H+]1CCN(CCOc2cc(Cl)cc(Cl)c2)C[C@H]1C ZINC000247003978 496748453 /nfs/dbraw/zinc/74/84/53/496748453.db2.gz TZAGZVCOYJOCMN-CQSZACIVSA-N 1 0 361.313 3.415 10 0 FGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cnc(-c2ccccc2)nc1C ZINC000247015189 496750987 /nfs/dbraw/zinc/75/09/87/496750987.db2.gz MMVZMZCXZHWYEM-MSOLQXFVSA-N 1 0 350.466 3.151 10 0 FGAERO Cc1ccccc1C1(CNC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)CCOCC1 ZINC000247037506 496759206 /nfs/dbraw/zinc/75/92/06/496759206.db2.gz HYBOYIOROVNWKE-UYAOXDASSA-N 1 0 373.541 3.071 10 0 FGAERO CC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc3ccccc32)CC[N@@H+]1C[C@H](C)O ZINC000247052654 496763835 /nfs/dbraw/zinc/76/38/35/496763835.db2.gz YQTOMPYAGADMAW-PZKPASOESA-N 1 0 366.505 3.247 10 0 FGAERO C[C@H](NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)[C@H]1CCCO1 ZINC000247165081 496797128 /nfs/dbraw/zinc/79/71/28/496797128.db2.gz YBIJSGSOLAQYEC-MJUUVYJYSA-N 1 0 371.525 3.250 10 0 FGAERO CCCOc1cc(C)ccc1NC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](CC)C1 ZINC000247240481 496812627 /nfs/dbraw/zinc/81/26/27/496812627.db2.gz ZXLGTABSNNDIKX-IRXDYDNUSA-N 1 0 363.502 3.093 10 0 FGAERO Cc1nn(-c2ccc(C(=O)N3CC[N@@H+]4CCCC[C@H]4C3)cc2)c(C)c1Cl ZINC000195088466 496819507 /nfs/dbraw/zinc/81/95/07/496819507.db2.gz MAHMLGFHTBZJEA-SFHVURJKSA-N 1 0 372.900 3.453 10 0 FGAERO Cc1cc(C)cc(OC[C@H](O)C[N@@H+]2CC[C@H](CNc3cccc(C)n3)C2)c1 ZINC000247294350 496827099 /nfs/dbraw/zinc/82/70/99/496827099.db2.gz FLAJYYPFSLUCMW-WOJBJXKFSA-N 1 0 369.509 3.181 10 0 FGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(Br)cc1F ZINC000247387989 496849630 /nfs/dbraw/zinc/84/96/30/496849630.db2.gz VJRHUHJOULQPOI-JQWIXIFHSA-N 1 0 356.239 3.289 10 0 FGAERO COCCn1c(C)c(C)c2cc(C(=O)N3C[C@@H]4CCC[N@@H+]4C[C@H]3C)ccc21 ZINC000247491384 496871509 /nfs/dbraw/zinc/87/15/09/496871509.db2.gz UGWQGFZZNLULCM-BEFAXECRSA-N 1 0 369.509 3.213 10 0 FGAERO CCc1ccc(NC(=O)CN2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)cc1 ZINC000195275435 496872437 /nfs/dbraw/zinc/87/24/37/496872437.db2.gz GYLDNYPARKHNHN-FQEVSTJZSA-N 1 0 366.509 3.036 10 0 FGAERO C[C@H](C(=O)Nc1cccc(F)c1)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195277094 496872851 /nfs/dbraw/zinc/87/28/51/496872851.db2.gz ODIGIKNBFIETTO-SJLPKXTDSA-N 1 0 370.472 3.002 10 0 FGAERO 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366.465 3.149 10 0 FGAERO Cc1ccc2c(c1)[C@@H](NC(=O)NC1CC[NH+](CCOC(C)C)CC1)[C@@H](C)C2 ZINC000181627791 496476404 /nfs/dbraw/zinc/47/64/04/496476404.db2.gz OXQWYHFSDJKTHS-UWJYYQICSA-N 1 0 373.541 3.417 10 0 FGAERO C[NH+](C)C1(CNC(=O)N[C@@H]2c3ccccc3CCC2(C)C)CCOCC1 ZINC000157468777 496481816 /nfs/dbraw/zinc/48/18/16/496481816.db2.gz GDQMJAIDXGLMEN-GOSISDBHSA-N 1 0 359.514 3.110 10 0 FGAERO Cc1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000163304318 496495107 /nfs/dbraw/zinc/49/51/07/496495107.db2.gz MVUVCRDEMNKYEC-LSDHHAIUSA-N 1 0 360.479 3.076 10 0 FGAERO CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@@H]1Cn1ccnc1C)CC(C)C ZINC000175700526 496505900 /nfs/dbraw/zinc/50/59/00/496505900.db2.gz GKROMFBDKUCYGE-RTBURBONSA-N 1 0 363.550 3.122 10 0 FGAERO Cc1cc(N2CCC[C@@H]([NH2+]Cc3cnc(C4CCCC4)s3)C2=O)n(C)n1 ZINC000178628229 496521301 /nfs/dbraw/zinc/52/13/01/496521301.db2.gz GSPYRFHQIXIOKS-MRXNPFEDSA-N 1 0 373.526 3.128 10 0 FGAERO CC[C@H]1CN(C(=O)Nc2ccccc2CSC)CC[N@@H+]1CCOC 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/nfs/dbraw/zinc/73/46/82/496734682.db2.gz REWOZEWZAXEQJW-CQSZACIVSA-N 1 0 358.873 3.008 10 0 FGAERO CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2cnn(C(C)(C)C)c2C)ncn1 ZINC000191357127 496736207 /nfs/dbraw/zinc/73/62/07/496736207.db2.gz XADYUKQPXUFQAV-GDBMZVCRSA-N 1 0 371.533 3.098 10 0 FGAERO CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2cnn(C(C)(C)C)c2C)ncn1 ZINC000191357112 496737054 /nfs/dbraw/zinc/73/70/54/496737054.db2.gz XADYUKQPXUFQAV-HOCLYGCPSA-N 1 0 371.533 3.098 10 0 FGAERO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CCc1nc(-c2ccccc2)no1 ZINC000247042220 496760552 /nfs/dbraw/zinc/76/05/52/496760552.db2.gz PXZJRWLTMBNKNR-BBWFWOEESA-N 1 0 355.438 3.085 10 0 FGAERO CCC[C@@H](NC(=O)C[N@@H+]1CCC[C@H]1Cn1ccnc1C)c1ccccc1 ZINC000247108674 496781935 /nfs/dbraw/zinc/78/19/35/496781935.db2.gz QYKJCAKXLGLLTE-VQTJNVASSA-N 1 0 354.498 3.314 10 0 FGAERO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000247130368 496789108 /nfs/dbraw/zinc/78/91/08/496789108.db2.gz ASICVOLRDQLCGS-OXFYSEKESA-N 1 0 364.917 3.486 10 0 FGAERO CCc1csc([C@@H]2CCCN(C(=O)NCC[N@@H+]3CCC[C@@H](C)C3)C2)n1 ZINC000247162704 496795965 /nfs/dbraw/zinc/79/59/65/496795965.db2.gz KLGYIFPGAAAGFW-HZPDHXFCSA-N 1 0 364.559 3.326 10 0 FGAERO O=C(Cc1csc(Cc2ccc(F)cc2)n1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195044743 496802640 /nfs/dbraw/zinc/80/26/40/496802640.db2.gz UUBSUJNJQMBVOT-SFHVURJKSA-N 1 0 373.497 3.112 10 0 FGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cccc(OCc2cccnc2)c1 ZINC000247229134 496810813 /nfs/dbraw/zinc/81/08/13/496810813.db2.gz WGNSPEHEYSPABR-LPHOPBHVSA-N 1 0 366.465 3.361 10 0 FGAERO CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@@H](C)c2ccccc2C)[C@@H](C)C1 ZINC000247258854 496817772 /nfs/dbraw/zinc/81/77/72/496817772.db2.gz QFRHFIOYUUEBMG-BJLQDIEVSA-N 1 0 361.530 3.492 10 0 FGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@H](c2ccccc2)c2cccnc2)C1 ZINC000247282575 496824073 /nfs/dbraw/zinc/82/40/73/496824073.db2.gz KJSPDJHKFAYDFP-LSTHTHJFSA-N 1 0 352.482 3.199 10 0 FGAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2cnn(Cc3ccccc3Cl)c2)C1 ZINC000247321780 496834078 /nfs/dbraw/zinc/83/40/78/496834078.db2.gz MLUVYHCSDLYBLF-KBXCAEBGSA-N 1 0 360.889 3.043 10 0 FGAERO C[C@H](CNC(=O)N[C@H](C)c1cccc(-n2ccnc2)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000247389045 496849396 /nfs/dbraw/zinc/84/93/96/496849396.db2.gz GIWAHUKCRRTATC-KZNAEPCWSA-N 1 0 369.513 3.353 10 0 FGAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CCC(Oc3ccc(F)cc3)CC2)C1 ZINC000247445834 496861103 /nfs/dbraw/zinc/86/11/03/496861103.db2.gz SIRHOXFOIMFOJC-DNVCBOLYSA-N 1 0 363.477 3.107 10 0 FGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000247459942 496862879 /nfs/dbraw/zinc/86/28/79/496862879.db2.gz QSAUHPQMVWMPFG-VBSBHUPXSA-N 1 0 357.498 3.032 10 0 FGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000247459931 496863254 /nfs/dbraw/zinc/86/32/54/496863254.db2.gz QSAUHPQMVWMPFG-MDNKFWRPSA-N 1 0 357.498 3.032 10 0 FGAERO 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ZINC000261970346 497485198 /nfs/dbraw/zinc/48/51/98/497485198.db2.gz QMSFYCBYYLUDST-CGTJXYLNSA-N 1 0 367.331 3.313 10 0 FGAERO CC(=O)Nc1ccccc1C[N@H+]1CC[C@@H](CN(C)Cc2scnc2C)C1 ZINC000190458458 497486079 /nfs/dbraw/zinc/48/60/79/497486079.db2.gz GRTXTMOJOPFYIH-KRWDZBQOSA-N 1 0 372.538 3.364 10 0 FGAERO CN(Cc1cccnc1)C[C@@H]1CC[N@H+](Cc2cn(C)nc2C(C)(C)C)C1 ZINC000190472935 497494354 /nfs/dbraw/zinc/49/43/54/497494354.db2.gz WUHWSIZCCQCVCJ-SFHVURJKSA-N 1 0 355.530 3.067 10 0 FGAERO CC(C)c1ccc([C@@H]2C[C@H]2C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)cc1 ZINC000245678307 497498236 /nfs/dbraw/zinc/49/82/36/497498236.db2.gz IUIABBORCPNXHT-PCCBWWKXSA-N 1 0 358.526 3.267 10 0 FGAERO C[C@H]1OCCC[C@@H]1C(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC000190482633 497499473 /nfs/dbraw/zinc/49/94/73/497499473.db2.gz CRBPBSIZZJFVIN-PBHICJAKSA-N 1 0 372.431 3.411 10 0 FGAERO C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H](C)c1ccccc1)c1ccc(-n2ccnn2)cc1 ZINC000245694513 497505471 /nfs/dbraw/zinc/50/54/71/497505471.db2.gz KGHBMDSLNORJQH-IKGGRYGDSA-N 1 0 363.465 3.184 10 0 FGAERO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(C(=O)CCc2ccsc2)C1 ZINC000190528233 497518349 /nfs/dbraw/zinc/51/83/49/497518349.db2.gz TZGPIBZCVQCINI-MRXNPFEDSA-N 1 0 363.552 3.426 10 0 FGAERO Cc1cc(CN2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)ccc1Oc1cccnc1 ZINC000245790599 497539460 /nfs/dbraw/zinc/53/94/60/497539460.db2.gz WCZMGUXOXCREMA-ROUUACIJSA-N 1 0 355.482 3.069 10 0 FGAERO CCc1ccccc1NC(=O)[C@@H](C)N1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000245840343 497546953 /nfs/dbraw/zinc/54/69/53/497546953.db2.gz GCEGFSUDMNDUEA-ZBFHGGJFSA-N 1 0 356.470 3.222 10 0 FGAERO CC1CC[NH+]([C@H](CNC(=O)[C@H]2CCCO[C@@H]2C)c2cccs2)CC1 ZINC000190625323 497550697 /nfs/dbraw/zinc/55/06/97/497550697.db2.gz HQUCJUNHXGRMKY-IXDOHACOSA-N 1 0 350.528 3.452 10 0 FGAERO Cc1cccc(O[C@H](C)C(=O)N2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)c1 ZINC000190637398 497554933 /nfs/dbraw/zinc/55/49/33/497554933.db2.gz KSPSLDYFCLRCFW-UYAOXDASSA-N 1 0 367.493 3.138 10 0 FGAERO CSc1ccsc1C(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190642864 497557037 /nfs/dbraw/zinc/55/70/37/497557037.db2.gz LIXCGMWJRRLRMI-HNNXBMFYSA-N 1 0 361.536 3.459 10 0 FGAERO Cc1ccc([C@@H](C)NC(=O)N2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)o1 ZINC000190685818 497572559 /nfs/dbraw/zinc/57/25/59/497572559.db2.gz XXOCDFDNPUDZFO-AEFFLSMTSA-N 1 0 356.470 3.208 10 0 FGAERO [NH3+][C@H]1CC[C@@H](C(=O)Nc2ccc3[nH]c(Cc4ccccc4F)nc3c2)C1 ZINC000262643208 497590086 /nfs/dbraw/zinc/59/00/86/497590086.db2.gz JJSWKXBQDOSOLP-KGLIPLIRSA-N 1 0 352.413 3.359 10 0 FGAERO C[C@@H]1CN(C(C)(C)CNC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)C[C@@H](C)O1 ZINC000245994015 497592737 /nfs/dbraw/zinc/59/27/37/497592737.db2.gz AABBMZZPBHNLER-LUYZLQTOSA-N 1 0 366.452 3.072 10 0 FGAERO CCOCC[N@@H+]1CCN(c2cc(CC)nc(-c3ccncc3)n2)C[C@@H]1CC ZINC000246005516 497594735 /nfs/dbraw/zinc/59/47/35/497594735.db2.gz GCRYMHFXGRVBND-IBGZPJMESA-N 1 0 369.513 3.038 10 0 FGAERO Cc1c(Br)ccc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1F ZINC000194195087 497599481 /nfs/dbraw/zinc/59/94/81/497599481.db2.gz CNVMQYUVLCWPMB-LLVKDONJSA-N 1 0 356.239 3.209 10 0 FGAERO CC[C@@H](NC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1)C(C)(C)c1ccccc1 ZINC000262701558 497604106 /nfs/dbraw/zinc/60/41/06/497604106.db2.gz CHWCAUHHJYSMFB-IEBWSBKVSA-N 1 0 354.498 3.294 10 0 FGAERO Cc1cccc(C2(NC(=O)c3ccn([C@H]4CCC[NH2+]C4)n3)CCCC2)c1 ZINC000262746586 497613591 /nfs/dbraw/zinc/61/35/91/497613591.db2.gz JMOTYLDPJIEOCM-SFHVURJKSA-N 1 0 352.482 3.315 10 0 FGAERO CCN(CC(=O)OC(C)(C)C)C1CC[NH+](Cc2ccccc2OC)CC1 ZINC000190830975 497616422 /nfs/dbraw/zinc/61/64/22/497616422.db2.gz VVXDDKCZWIZMDW-UHFFFAOYSA-N 1 0 362.514 3.323 10 0 FGAERO CCOC(=O)C1CCC(O)(C[N@@H+]2CCC[C@H](c3nc(C)cs3)C2)CC1 ZINC000190850869 497621406 /nfs/dbraw/zinc/62/14/06/497621406.db2.gz FEPYELBPMBVFFD-WUJZJPHMSA-N 1 0 366.527 3.115 10 0 FGAERO CCC[C@H](CCc1ccccc1)NC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262790859 497621691 /nfs/dbraw/zinc/62/16/91/497621691.db2.gz OEQOQYCIZYFYHK-RTBURBONSA-N 1 0 354.498 3.339 10 0 FGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccccc1OCC(F)F ZINC000246100219 497622098 /nfs/dbraw/zinc/62/20/98/497622098.db2.gz XZMLUECMLZZNCB-KGLIPLIRSA-N 1 0 353.413 3.421 10 0 FGAERO COc1ccc(C[N@@H+]2CCC[C@H](N(C)CC(=O)OC(C)(C)C)CC2)cc1 ZINC000190852269 497622254 /nfs/dbraw/zinc/62/22/54/497622254.db2.gz QPWKPCPMLPLWNE-SFHVURJKSA-N 1 0 362.514 3.323 10 0 FGAERO Cc1nccn1-c1ccc([C@H](C)NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1 ZINC000246123123 497630176 /nfs/dbraw/zinc/63/01/76/497630176.db2.gz VSCBCIYCHLWTHA-JXFKEZNVSA-N 1 0 367.497 3.121 10 0 FGAERO Cc1cc([C@H](NC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)C2CC2)ccc1F ZINC000262855963 497638421 /nfs/dbraw/zinc/63/84/21/497638421.db2.gz VVPSYLXQLHHKCU-VQIMIIECSA-N 1 0 356.445 3.136 10 0 FGAERO C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@H](CNc2ccccn2)C1)c1ccc(F)cc1 ZINC000246154455 497640077 /nfs/dbraw/zinc/64/00/77/497640077.db2.gz QBTMDGDEULOFCI-ULQDDVLXSA-N 1 0 370.472 3.220 10 0 FGAERO CCC[C@@H]1CCc2nc(NC(=O)c3ccn([C@@H]4CCC[NH2+]C4)n3)sc2C1 ZINC000262862737 497640478 /nfs/dbraw/zinc/64/04/78/497640478.db2.gz WTSNZLAIRMESRD-ZIAGYGMSSA-N 1 0 373.526 3.421 10 0 FGAERO Cc1csc([C@H]2CCCN(C(=O)NCC[N@H+]3CCC[C@@H](C)C3)C2)n1 ZINC000246165373 497644873 /nfs/dbraw/zinc/64/48/73/497644873.db2.gz KYCIZSIFGMCXNL-ZBFHGGJFSA-N 1 0 350.532 3.072 10 0 FGAERO CCOC(=O)C1CCC(O)(C[N@@H+]2CCC[C@H]2c2cccc(N(C)C)c2)CC1 ZINC000190915922 497645290 /nfs/dbraw/zinc/64/52/90/497645290.db2.gz IMZXWWSMSZJVFC-DHHCDUQHSA-N 1 0 374.525 3.374 10 0 FGAERO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246260156 497676940 /nfs/dbraw/zinc/67/69/40/497676940.db2.gz YHAHTEDUKIZXHP-OCCSQVGLSA-N 1 0 356.297 3.491 10 0 FGAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)C(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000246305505 497689700 /nfs/dbraw/zinc/68/97/00/497689700.db2.gz DKRIFDBKLQXVTB-OXJNMPFZSA-N 1 0 365.477 3.137 10 0 FGAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCCc2coc(-c3ccc(F)cc3)n2)C1 ZINC000246336819 497699973 /nfs/dbraw/zinc/69/99/73/497699973.db2.gz GRCRUIPOLROSMV-KBXCAEBGSA-N 1 0 374.460 3.051 10 0 FGAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCCc2coc(-c3ccc(F)cc3)n2)C1 ZINC000246336830 497700199 /nfs/dbraw/zinc/70/01/99/497700199.db2.gz GRCRUIPOLROSMV-RDTXWAMCSA-N 1 0 374.460 3.051 10 0 FGAERO O=C(NC[C@@H](O)C[NH+]1CCCCC1)Nc1ccc2nc(C3CC3)sc2c1 ZINC000194593597 497714029 /nfs/dbraw/zinc/71/40/29/497714029.db2.gz PXHVGUUYOUCKFZ-OAHLLOKOSA-N 1 0 374.510 3.142 10 0 FGAERO CN1CC[NH2+]C[C@H]1c1noc(/C=C/c2ccc(Cl)c(C(F)(F)F)c2)n1 ZINC000263214310 497734674 /nfs/dbraw/zinc/73/46/74/497734674.db2.gz KPHLQKPDZMJKEB-LQPUYASZSA-N 1 0 372.778 3.488 10 0 FGAERO C[C@H](c1ccc(Br)cc1)[N@@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246455379 497739402 /nfs/dbraw/zinc/73/94/02/497739402.db2.gz MYWSKTJSGVRZAG-CPUCHLNUSA-N 1 0 353.304 3.163 10 0 FGAERO O=C(NC[C@@H]1CCCO[C@H]1c1ccccc1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246462563 497741944 /nfs/dbraw/zinc/74/19/44/497741944.db2.gz PWBUOVGHGRTYOC-UFYCRDLUSA-N 1 0 357.498 3.034 10 0 FGAERO C/C(=C/c1nc([C@H]2C[NH2+]CCN2C)no1)c1ccc(C(F)(F)F)cc1 ZINC000263264675 497745215 /nfs/dbraw/zinc/74/52/15/497745215.db2.gz RJBRRIJLZZBVQO-RBJHHQRMSA-N 1 0 352.360 3.225 10 0 FGAERO CNc1cc(N2CCC[C@@H]2C[NH2+][C@H]2CCSc3c(F)cccc32)ncn1 ZINC000246476289 497745782 /nfs/dbraw/zinc/74/57/82/497745782.db2.gz QWLSLXPBDWWEHQ-CJNGLKHVSA-N 1 0 373.501 3.453 10 0 FGAERO C[C@H](Cc1nc([C@H]2C[NH2+]CCN2C)no1)c1ccc(C(F)(F)F)cc1 ZINC000263284621 497749225 /nfs/dbraw/zinc/74/92/25/497749225.db2.gz UTALXXOWCQEQKN-BXUZGUMPSA-N 1 0 354.376 3.011 10 0 FGAERO COCCN(C)c1ccc(C[NH2+][C@@H](C)c2cccc(-n3ccnc3)c2)cn1 ZINC000191240449 497754149 /nfs/dbraw/zinc/75/41/49/497754149.db2.gz MAOCRIOOFBDQMD-KRWDZBQOSA-N 1 0 365.481 3.201 10 0 FGAERO CN(C(=O)CC[N@@H+]1C[C@H](O)C[C@H]1c1cc(F)ccc1F)c1ccccc1 ZINC000246499683 497754883 /nfs/dbraw/zinc/75/48/83/497754883.db2.gz BCZLHKVZFNXUAC-APWZRJJASA-N 1 0 360.404 3.126 10 0 FGAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2cccc(Br)c2COC)C1 ZINC000194754446 497760738 /nfs/dbraw/zinc/76/07/38/497760738.db2.gz HLSVLZIRACSFRE-GFCCVEGCSA-N 1 0 370.291 3.201 10 0 FGAERO C[C@H]1OCCC[C@H]1C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000191270841 497763639 /nfs/dbraw/zinc/76/36/39/497763639.db2.gz GHVPJWHHOFOONI-RDTXWAMCSA-N 1 0 350.890 3.236 10 0 FGAERO CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000246550669 497771455 /nfs/dbraw/zinc/77/14/55/497771455.db2.gz ZAPFNFUEKMOJIO-JRGCBEDISA-N 1 0 356.510 3.094 10 0 FGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cccc(-c2nccn2C)c1 ZINC000246549558 497772006 /nfs/dbraw/zinc/77/20/06/497772006.db2.gz QVVZELKMHYWGGT-ROUUACIJSA-N 1 0 353.470 3.178 10 0 FGAERO COc1ccc(Br)c(NC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)c1 ZINC000246584584 497782484 /nfs/dbraw/zinc/78/24/84/497782484.db2.gz YJHKNYMAPPWVGY-IAQYHMDHSA-N 1 0 370.291 3.308 10 0 FGAERO COc1ccc(C[NH2+]C2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)c2ccccc12 ZINC000263451952 497784391 /nfs/dbraw/zinc/78/43/91/497784391.db2.gz ADWZXZPWLOSKOO-UHFFFAOYSA-N 1 0 368.477 3.266 10 0 FGAERO CN1CCO[C@@H](C[NH2+][C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)C1 ZINC000246597048 497785514 /nfs/dbraw/zinc/78/55/14/497785514.db2.gz ZWCVZIILBDHJDI-HOTGVXAUSA-N 1 0 361.486 3.247 10 0 FGAERO CC[C@H]1CN(C(=O)c2ccccc2SC(C)C)CC[N@@H+]1C[C@H](C)O ZINC000246700512 497801315 /nfs/dbraw/zinc/80/13/15/497801315.db2.gz CDPOELOVGKRLJD-HOTGVXAUSA-N 1 0 350.528 3.104 10 0 FGAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCc2ccc(Oc3ccccc3)nc2)C1 ZINC000246747956 497807697 /nfs/dbraw/zinc/80/76/97/497807697.db2.gz BFXMEBWWKNCNCA-VQIMIIECSA-N 1 0 368.481 3.402 10 0 FGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(COc2ccc(F)cc2)o1 ZINC000246815092 497813198 /nfs/dbraw/zinc/81/31/98/497813198.db2.gz CGYXGALZNMPYSU-HOCLYGCPSA-N 1 0 358.413 3.306 10 0 FGAERO CC[C@@H]1CN(C(=O)C[C@H](c2ccccc2)C(F)(F)F)CC[N@@H+]1C[C@@H](C)O ZINC000246816398 497813337 /nfs/dbraw/zinc/81/33/37/497813337.db2.gz KZWQAVWXXNLMFZ-DJIMGWMZSA-N 1 0 372.431 3.026 10 0 FGAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)CSc2ccc(C(F)(F)F)cn2)C1 ZINC000246834763 497814814 /nfs/dbraw/zinc/81/48/14/497814814.db2.gz DXCNCOFHYJRPFN-WCQYABFASA-N 1 0 361.433 3.037 10 0 FGAERO CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246843387 497815858 /nfs/dbraw/zinc/81/58/58/497815858.db2.gz VAHISWWWLOIRJV-JLSDUUJJSA-N 1 0 365.905 3.296 10 0 FGAERO CCC(CC)[C@H](C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1)N1CCOCC1 ZINC000246854509 497816716 /nfs/dbraw/zinc/81/67/16/497816716.db2.gz VDPPBYXHRXYRMW-OWCLPIDISA-N 1 0 364.452 3.361 10 0 FGAERO Cc1nccn1C[C@@H]1CCC[N@H+]1CC(=O)N[C@H](C)c1ccccc1Cl ZINC000246883943 497818497 /nfs/dbraw/zinc/81/84/97/497818497.db2.gz DSHZLKBPQOLGHV-ZBFHGGJFSA-N 1 0 360.889 3.187 10 0 FGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCc1cccc(Br)c1 ZINC000246899546 497819331 /nfs/dbraw/zinc/81/93/31/497819331.db2.gz HKIUKUKYKJJFMR-SJORKVTESA-N 1 0 365.315 3.467 10 0 FGAERO CC(C)C[C@H](NC(=O)CN1CC[C@@H](c2cnn(C)c2)C1)c1ccccc1 ZINC000246925936 497820769 /nfs/dbraw/zinc/82/07/69/497820769.db2.gz ICYFRROYUOBSPO-QUCCMNQESA-N 1 0 354.498 3.113 10 0 FGAERO CC[C@H]1CN(Cc2ncc(-c3ccc(Cl)cc3)o2)CC[N@@H+]1C[C@H](C)O ZINC000246931544 497820967 /nfs/dbraw/zinc/82/09/67/497820967.db2.gz ATWJHYFZIDQRJL-YOEHRIQHSA-N 1 0 363.889 3.272 10 0 FGAERO Cc1cc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)ccc1NC(=O)CC(C)C ZINC000246935171 497821078 /nfs/dbraw/zinc/82/10/78/497821078.db2.gz ZNIDSVNCTMTQQE-SJLPKXTDSA-N 1 0 357.498 3.288 10 0 FGAERO Cc1cc(C)n(-c2cncc(N[C@H]3CCC[N@@H+](C4CCCCC4)C3)n2)n1 ZINC000301171368 497983397 /nfs/dbraw/zinc/98/33/97/497983397.db2.gz GPQXUAGRSAEATC-KRWDZBQOSA-N 1 0 354.502 3.488 10 0 FGAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1Nc1c(F)c(F)nc(F)c1F ZINC000301601249 498181993 /nfs/dbraw/zinc/18/19/93/498181993.db2.gz JCZRQFNIRAOLAP-ZYHUDNBSSA-N 1 0 354.351 3.356 10 0 FGAERO CCOC(=O)c1nnc2ccccc2c1N1CCC([N@@H+]2CCC[C@H]2C)CC1 ZINC000301768352 498256500 /nfs/dbraw/zinc/25/65/00/498256500.db2.gz IBUQJLNDLSEZIV-OAHLLOKOSA-N 1 0 368.481 3.260 10 0 FGAERO 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SRKYRAYGHUXSEQ-SFHLNBCPSA-N 1 0 355.482 3.137 10 0 FGAERO C[C@H](CCCC(C)(C)O)NC(=O)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000020550729 524134705 /nfs/dbraw/zinc/13/47/05/524134705.db2.gz QGKAVAVQACGROP-MRXNPFEDSA-N 1 0 364.505 3.484 10 0 FGAERO CC(C)Oc1cccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(N)c2)c1 ZINC000226263621 535031882 /nfs/dbraw/zinc/03/18/82/535031882.db2.gz ROEHNPZZXDYJPB-UHFFFAOYSA-N 1 0 368.481 3.060 10 0 FGAERO Cc1c(Cl)cccc1NC(=O)C(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000049379337 695894617 /nfs/dbraw/zinc/89/46/17/695894617.db2.gz OLYBLEOAYLNKKV-QGZVFWFLSA-N 1 0 359.857 3.006 10 0 FGAERO O=C(c1cscn1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1F)C2 ZINC000076996810 700245366 /nfs/dbraw/zinc/24/53/66/700245366.db2.gz RHGQQLCJJLIACG-IBGZPJMESA-N 1 0 359.470 3.411 10 0 FGAERO Cc1nc(Br)ccc1NC(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000091188445 700416826 /nfs/dbraw/zinc/41/68/26/700416826.db2.gz QEOFVUPMFANHOW-CYBMUJFWSA-N 1 0 369.307 3.394 10 0 FGAERO CCn1ccnc1C[NH2+][C@@]1(CNC(=O)OC(C)(C)C)CCCC[C@H]1C 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CCC[C@@H]1CCc2c(sc(=O)n2CN(C)C[C@H]2CCC[N@@H+]2CC)C1 ZINC000245413535 713604572 /nfs/dbraw/zinc/60/45/72/713604572.db2.gz BQASJLRWLJTDHW-HZPDHXFCSA-N 1 0 351.560 3.188 10 0 FGAERO Cc1ccc(NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)c(Br)n1 ZINC000246375145 713622896 /nfs/dbraw/zinc/62/28/96/713622896.db2.gz ZXTAJGZAWGTWIC-MFKMUULPSA-N 1 0 355.280 3.003 10 0 FGAERO C/C(=C\C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C)c1ccccc1OC(F)F ZINC000247008765 713634413 /nfs/dbraw/zinc/63/44/13/713634413.db2.gz RSEJHXGZXPLFFO-XGWPRKDGSA-N 1 0 350.409 3.386 10 0 FGAERO O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)[C@H]1CSCCS1 ZINC000250292309 713670954 /nfs/dbraw/zinc/67/09/54/713670954.db2.gz VAUNPJAJMSWXKS-IAGOWNOFSA-N 1 0 350.553 3.006 10 0 FGAERO C[NH2+][C@H](C)CNC(=O)c1sc(COc2ccc(Cl)cc2)nc1C ZINC000261855410 713715235 /nfs/dbraw/zinc/71/52/35/713715235.db2.gz XUECXANWWVAUJE-SNVBAGLBSA-N 1 0 353.875 3.022 10 0 FGAERO C[C@H]([NH2+][C@@H]1CCN2CCCC[C@@H]12)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000301314937 713781889 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CCC[C@@H](C(=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1)[NH+](C)C ZINC000094037852 494943101 /nfs/dbraw/zinc/94/31/01/494943101.db2.gz RYGRUAMVKFEUOP-FQEVSTJZSA-N 1 0 367.493 3.328 10 0 FGAERO CC(C)c1ccccc1OCCNc1cc(N2CCC[C@H]2CO)ncn1 ZINC000110602239 494993364 /nfs/dbraw/zinc/99/33/64/494993364.db2.gz IARSJJFYMLCLGK-INIZCTEOSA-N 1 0 356.470 3.052 10 0 FGAERO Cc1nn(-c2ccccc2)c(C)c1CNC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000127767652 494994824 /nfs/dbraw/zinc/99/48/24/494994824.db2.gz LTPKLVLLFMZTCT-GOSISDBHSA-N 1 0 371.529 3.265 10 0 FGAERO CC(C)Oc1c(Cl)cccc1NC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000118557280 495010620 /nfs/dbraw/zinc/01/06/20/495010620.db2.gz MIPUTLIIZTVFSW-AWEZNQCLSA-N 1 0 369.893 3.096 10 0 FGAERO CCC[C@@H](C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1)[NH+](C)C ZINC000128260359 495068911 /nfs/dbraw/zinc/06/89/11/495068911.db2.gz OMIWKQPNZMQWIT-JKSUJKDBSA-N 1 0 369.303 3.079 10 0 FGAERO O=C(CCN1CCCC[C@H]1c1nnc2n1CCCC2)Nc1ccccc1 ZINC000101587031 495082639 /nfs/dbraw/zinc/08/26/39/495082639.db2.gz FQFWKKVCZBQYBA-KRWDZBQOSA-N 1 0 353.470 3.170 10 0 FGAERO Cc1csc([C@H]2CCCN(C(=O)NC3CCC(C[NH+](C)C)CC3)C2)n1 ZINC000119079077 495087722 /nfs/dbraw/zinc/08/77/22/495087722.db2.gz HRUZYCFCOOENNY-CGZBRXJRSA-N 1 0 364.559 3.461 10 0 FGAERO C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](C[C@H](O)CN1CCCC1=O)C1CC1 ZINC000111688884 495095308 /nfs/dbraw/zinc/09/53/08/495095308.db2.gz SJNWVLKSCZUVKA-CXAGYDPISA-N 1 0 370.415 3.214 10 0 FGAERO COC(=O)[C@@H]1CCC[N@H+](Cc2c(C)nn(Cc3ccc(C)cc3)c2C)C1 ZINC000123210064 495097147 /nfs/dbraw/zinc/09/71/47/495097147.db2.gz PIFAWYNZOGPGDL-LJQANCHMSA-N 1 0 355.482 3.242 10 0 FGAERO C[C@@H](O)C[N@@H+]1CCN(CCOc2ccc(Oc3ccccc3)cc2)C[C@@H]1C ZINC000119141335 495102249 /nfs/dbraw/zinc/10/22/49/495102249.db2.gz FRQALHPCCLJIIP-RBUKOAKNSA-N 1 0 370.493 3.245 10 0 FGAERO CC[C@@H]1CN(CCOc2cc(Cl)cc(Cl)c2)CC[N@@H+]1C[C@@H](C)O ZINC000119149615 495104688 /nfs/dbraw/zinc/10/46/88/495104688.db2.gz ONKUIKZUVJRELA-CZUORRHYSA-N 1 0 361.313 3.149 10 0 FGAERO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1cccc(-c2cccs2)c1 ZINC000102082473 495120561 /nfs/dbraw/zinc/12/05/61/495120561.db2.gz ZVGJWROXSZOKLI-AWEZNQCLSA-N 1 0 359.495 3.200 10 0 FGAERO CCOC(=O)C1CCN(C(=O)C[NH2+][C@@H](C)c2ccc(CC(C)C)cc2)CC1 ZINC000102685508 495153526 /nfs/dbraw/zinc/15/35/26/495153526.db2.gz GTNUZIFMGHFJOG-KRWDZBQOSA-N 1 0 374.525 3.337 10 0 FGAERO COCC1CCN(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000112447227 495192904 /nfs/dbraw/zinc/19/29/04/495192904.db2.gz DBSTYBNNHLTKAO-FQEVSTJZSA-N 1 0 359.514 3.109 10 0 FGAERO CSc1ccc(NC(=O)[C@@H](C)[NH2+][C@H]2CCc3nc(C(C)C)nn3C2)cc1 ZINC000112551752 495205257 /nfs/dbraw/zinc/20/52/57/495205257.db2.gz BUBCYPVGLYCJHR-HIFRSBDPSA-N 1 0 373.526 3.055 10 0 FGAERO Cc1ncc(CNC(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)s1 ZINC000129246592 495217014 /nfs/dbraw/zinc/21/70/14/495217014.db2.gz KTCOHQSBFJPSFD-KRWDZBQOSA-N 1 0 358.511 3.305 10 0 FGAERO CCOCC[N@@H+]1CCN(C(=O)Nc2ccc(F)c(F)c2F)C[C@H]1CC ZINC000119696822 495220600 /nfs/dbraw/zinc/22/06/00/495220600.db2.gz PWUDKJQHVQGMEX-GFCCVEGCSA-N 1 0 359.392 3.069 10 0 FGAERO C[C@@H](NC(=O)N1CC[C@@H](C[NH+](C)C)C1)c1ccccc1Br ZINC000129316337 495227897 /nfs/dbraw/zinc/22/78/97/495227897.db2.gz HKYOKEXPPCWIJA-OLZOCXBDSA-N 1 0 354.292 3.103 10 0 FGAERO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]C[C@](C)(O)c2ccsc2)C1 ZINC000124106247 495234571 /nfs/dbraw/zinc/23/45/71/495234571.db2.gz FSUOVLHZFWTAOR-KSSFIOAISA-N 1 0 354.516 3.192 10 0 FGAERO CCOCC[N@@H+]1CCN(C(=O)Nc2cccc(Cl)c2F)C[C@H]1CC ZINC000119768592 495236566 /nfs/dbraw/zinc/23/65/66/495236566.db2.gz MMEJQCDWIRQLKJ-CYBMUJFWSA-N 1 0 357.857 3.444 10 0 FGAERO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2ccc(C(=O)OC(C)C)cc2)C1 ZINC000135022571 495240238 /nfs/dbraw/zinc/24/02/38/495240238.db2.gz DOPCKGSUYOEMPR-GOSISDBHSA-N 1 0 356.470 3.243 10 0 FGAERO CCC[C@@H](C(=O)Nc1cccc(C(=O)NCc2ccccc2)c1)[NH+](C)C ZINC000135194541 495261000 /nfs/dbraw/zinc/26/10/00/495261000.db2.gz UCKDZHGSAJZCLP-IBGZPJMESA-N 1 0 353.466 3.285 10 0 FGAERO C[C@H](c1nc(-c2cccnc2)no1)[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000112979256 495263025 /nfs/dbraw/zinc/26/30/25/495263025.db2.gz NRMOZFXBMUCEIP-HUUCEWRRSA-N 1 0 350.426 3.022 10 0 FGAERO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000113405244 495303607 /nfs/dbraw/zinc/30/36/07/495303607.db2.gz XZUQMIBEBWNRTI-RDJZCZTQSA-N 1 0 363.502 3.329 10 0 FGAERO Cc1ccc(OC(F)F)c(CNC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)c1 ZINC000124552089 495305501 /nfs/dbraw/zinc/30/55/01/495305501.db2.gz VOAWPVYJUOTYTK-DZGCQCFKSA-N 1 0 355.429 3.124 10 0 FGAERO Clc1ccc(C[NH2+][C@@H]2CCCN(c3cccnn3)C2)c2ncccc12 ZINC000113440587 495306225 /nfs/dbraw/zinc/30/62/25/495306225.db2.gz IJVNYIILLGMECK-OAHLLOKOSA-N 1 0 353.857 3.437 10 0 FGAERO C[C@@H]1CN(c2ccccc2NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)C[C@H](C)O1 ZINC000105007666 495324752 /nfs/dbraw/zinc/32/47/52/495324752.db2.gz QCNJVVADSPJHHY-FGTMMUONSA-N 1 0 372.513 3.002 10 0 FGAERO C[C@H](NC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C)c1cccc(Br)c1 ZINC000120232939 495332541 /nfs/dbraw/zinc/33/25/41/495332541.db2.gz UYHOTTNCYJXROP-XEZPLFJOSA-N 1 0 368.319 3.492 10 0 FGAERO CC[C@@H](SC)C(=O)N(C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000124726784 495334010 /nfs/dbraw/zinc/33/40/10/495334010.db2.gz LKVYHIRKCDDTGH-RBUKOAKNSA-N 1 0 364.555 3.032 10 0 FGAERO Clc1ccc(-n2cc(C[NH+]3CCC(Nc4cccnn4)CC3)cn2)cc1 ZINC000120283314 495343870 /nfs/dbraw/zinc/34/38/70/495343870.db2.gz WOJYVCQMHKZJSV-UHFFFAOYSA-N 1 0 368.872 3.392 10 0 FGAERO CCOCC[N@@H+]1CCN(C(=O)Nc2cccc(-c3ncco3)c2)C[C@H]1CC ZINC000120313890 495350387 /nfs/dbraw/zinc/35/03/87/495350387.db2.gz AKWUEVNJRYGDCT-GOSISDBHSA-N 1 0 372.469 3.306 10 0 FGAERO COc1ccccc1CNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(OC)c(OC)c1 ZINC000120449113 495381175 /nfs/dbraw/zinc/38/11/75/495381175.db2.gz BNIPYUUGUJDMDR-CABCVRRESA-N 1 0 372.465 3.068 10 0 FGAERO O[C@@H](COCc1ccccc1)C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000114503337 495387171 /nfs/dbraw/zinc/38/71/71/495387171.db2.gz QIYHREXMNJCDHV-MOPGFXCFSA-N 1 0 361.507 3.307 10 0 FGAERO CCOc1cc(CNC(=O)N[C@H](C[NH+](C)C)c2ccccc2)ccc1OC ZINC000114584658 495395128 /nfs/dbraw/zinc/39/51/28/495395128.db2.gz KROPLEJGPOMWAZ-GOSISDBHSA-N 1 0 371.481 3.196 10 0 FGAERO Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000114592384 495396581 /nfs/dbraw/zinc/39/65/81/495396581.db2.gz NSYDFMCTPFUVRG-CRAIPNDOSA-N 1 0 361.534 3.004 10 0 FGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(OC)c(Br)s1 ZINC000136940336 495412104 /nfs/dbraw/zinc/41/21/04/495412104.db2.gz GABLETAULNTRQO-WDEREUQCSA-N 1 0 373.316 3.218 10 0 FGAERO CC[C@@H]1CN(Cc2ncc(-c3cccc(Cl)c3)o2)CC[N@@H+]1C[C@@H](C)O ZINC000106103860 495414086 /nfs/dbraw/zinc/41/40/86/495414086.db2.gz ASWKKHQGIDEZRB-RHSMWYFYSA-N 1 0 363.889 3.272 10 0 FGAERO CCOCC[N@@H+]1CCN(CC(=O)Nc2cccc(C(C)C)c2)C[C@H]1CC ZINC000106117738 495415104 /nfs/dbraw/zinc/41/51/04/495415104.db2.gz RYTYHUHZHGDIER-HXUWFJFHSA-N 1 0 361.530 3.181 10 0 FGAERO COCC[N@@H+]1CCN(Cc2ccc(C(=O)Nc3ccccc3)cc2)C[C@@H]1C ZINC000106108526 495415117 /nfs/dbraw/zinc/41/51/17/495415117.db2.gz GTQOGCFEZSAINK-SFHVURJKSA-N 1 0 367.493 3.091 10 0 FGAERO CC[C@H]1CN([C@@H](C)c2nnc(-c3ccc(C)cc3)o2)CC[N@@H+]1CCOC ZINC000106115479 495415549 /nfs/dbraw/zinc/41/55/49/495415549.db2.gz BKZLTWBRVJIKPF-WMZOPIPTSA-N 1 0 358.486 3.149 10 0 FGAERO CCOCC[N@@H+]1CCN(Cc2ncc(-c3ccc(OC)cc3)o2)C[C@@H]1CC ZINC000106116544 495415746 /nfs/dbraw/zinc/41/57/46/495415746.db2.gz JSBGXVSNZQGEKF-SFHVURJKSA-N 1 0 373.497 3.283 10 0 FGAERO CCOCC[N@@H+]1CCN(CC(=O)Nc2ccc(Cl)cc2C)C[C@@H]1CC ZINC000106117940 495417388 /nfs/dbraw/zinc/41/73/88/495417388.db2.gz HDBSXMMSAYRZHB-KRWDZBQOSA-N 1 0 367.921 3.020 10 0 FGAERO CCCC(=O)N[C@@H]1CCC[N@H+](CCCC(=O)Nc2c(C)cccc2C)C1 ZINC000137014089 495418500 /nfs/dbraw/zinc/41/85/00/495418500.db2.gz GERDGCZUQBGNJM-GOSISDBHSA-N 1 0 359.514 3.403 10 0 FGAERO C[N@H+](CCCOCC(F)(F)F)C[C@@H](c1cccs1)N1CCOCC1 ZINC000106160207 495420408 /nfs/dbraw/zinc/42/04/08/495420408.db2.gz VBHYZVCGDWZODR-AWEZNQCLSA-N 1 0 366.449 3.022 10 0 FGAERO COc1ccc(CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccccc2C)cc1OC ZINC000114745541 495420406 /nfs/dbraw/zinc/42/04/06/495420406.db2.gz QYHWYIHJWBHTHP-DLBZAZTESA-N 1 0 370.493 3.410 10 0 FGAERO Cc1ccc(OCCC[N@H+]2CCCN(Cc3cnn(C)c3)CC2)cc1C ZINC000106155099 495420932 /nfs/dbraw/zinc/42/09/32/495420932.db2.gz QGFUNJYUDJPNTQ-UHFFFAOYSA-N 1 0 356.514 3.014 10 0 FGAERO FC(F)(F)COc1cccc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)c1 ZINC000106171421 495423663 /nfs/dbraw/zinc/42/36/63/495423663.db2.gz GXNSMKJXZNEDNR-OAHLLOKOSA-N 1 0 354.376 3.131 10 0 FGAERO FC(F)(F)COc1ccc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)cc1 ZINC000106172623 495424109 /nfs/dbraw/zinc/42/41/09/495424109.db2.gz BMCGMIPEOWKOEB-OAHLLOKOSA-N 1 0 354.376 3.131 10 0 FGAERO O[C@@H](C[NH+]1CCC(Cn2cccn2)CC1)c1cccc(Br)c1 ZINC000106185071 495426212 /nfs/dbraw/zinc/42/62/12/495426212.db2.gz RSXJVMTWKKJNOB-KRWDZBQOSA-N 1 0 364.287 3.091 10 0 FGAERO CC[C@@H](C(=O)Nc1ccc(OC)cc1)[NH+]1CCC(Cn2cccn2)CC1 ZINC000106184205 495426782 /nfs/dbraw/zinc/42/67/82/495426782.db2.gz ASISWCLYPDZPER-IBGZPJMESA-N 1 0 356.470 3.021 10 0 FGAERO Cc1ccc([C@H](C)NC(=O)C[NH+]2CCC(Cn3cccn3)CC2)cc1C ZINC000106185480 495427210 /nfs/dbraw/zinc/42/72/10/495427210.db2.gz BEDIJSBOHGPLPI-SFHVURJKSA-N 1 0 354.498 3.089 10 0 FGAERO C[C@@H](NC(=O)C[NH+]1CCC(Cn2cccn2)CC1)c1ccccc1Cl ZINC000106185221 495427421 /nfs/dbraw/zinc/42/74/21/495427421.db2.gz FULYTAHNKDNIIG-OAHLLOKOSA-N 1 0 360.889 3.126 10 0 FGAERO CC[NH+](CC)[C@@H](C)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000106185534 495427441 /nfs/dbraw/zinc/42/74/41/495427441.db2.gz HRUCFSHWIHXWLA-JTQLQIEISA-N 1 0 372.840 3.367 10 0 FGAERO CCc1nccn1[C@@H]1CCC[N@H+](CC(=O)N(C)Cc2ccccc2C)C1 ZINC000106214831 495434186 /nfs/dbraw/zinc/43/41/86/495434186.db2.gz MSPUYQZPSPXRMW-LJQANCHMSA-N 1 0 354.498 3.049 10 0 FGAERO Cc1cnn([C@H]2CCC[N@H+](C[C@H](O)COCc3ccc(Cl)cc3)C2)c1 ZINC000106219970 495436515 /nfs/dbraw/zinc/43/65/15/495436515.db2.gz YBBMYMXFSJDQJD-OALUTQOASA-N 1 0 363.889 3.060 10 0 FGAERO CCCOc1ccc([C@@H](C)[NH2+]C[C@H]2CN(C)CCO2)cc1OCCC ZINC000106388121 495450372 /nfs/dbraw/zinc/45/03/72/495450372.db2.gz SUVXVCJEMJHUAN-AEFFLSMTSA-N 1 0 350.503 3.245 10 0 FGAERO CCOc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000137896682 495452907 /nfs/dbraw/zinc/45/29/07/495452907.db2.gz AGGIJZBXNXEPSB-QGZVFWFLSA-N 1 0 356.470 3.083 10 0 FGAERO CCOCC[N@@H+]1CCN(Cc2ccc(Oc3cnccn3)cc2)C[C@H]1CC ZINC000121014567 495503453 /nfs/dbraw/zinc/50/34/53/495503453.db2.gz UYZYMOGRKMZMBN-LJQANCHMSA-N 1 0 370.497 3.202 10 0 FGAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000106903346 495508723 /nfs/dbraw/zinc/50/87/23/495508723.db2.gz CDNJOOSROVLCMU-IBGZPJMESA-N 1 0 351.450 3.147 10 0 FGAERO CC[C@@H](c1nnc(NC(=O)N2CC[C@H]([NH+](C)C)C2)s1)c1ccccc1 ZINC000106952502 495518031 /nfs/dbraw/zinc/51/80/31/495518031.db2.gz QCEKNPSGWRCEEE-LSDHHAIUSA-N 1 0 359.499 3.248 10 0 FGAERO FC(F)(F)c1ccc(OCC[NH+]2CCC(Nc3cccnn3)CC2)cc1 ZINC000107303944 495524990 /nfs/dbraw/zinc/52/49/90/495524990.db2.gz XGIAIMBUSNOCNR-UHFFFAOYSA-N 1 0 366.387 3.451 10 0 FGAERO Cc1cc(Br)cc2cc(C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)oc21 ZINC000179331990 495546479 /nfs/dbraw/zinc/54/64/79/495546479.db2.gz JUUVCWKNSAHKJY-CQSZACIVSA-N 1 0 363.255 3.424 10 0 FGAERO COc1ccc(-c2ccc(CNC(=O)NC[C@@H]3CCC[N@@H+]3C)s2)cc1 ZINC000176272602 495573156 /nfs/dbraw/zinc/57/31/56/495573156.db2.gz XZCAFRUWRYHCJL-HNNXBMFYSA-N 1 0 359.495 3.317 10 0 FGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1nnc(-c2ccsc2)s1 ZINC000176318621 495597488 /nfs/dbraw/zinc/59/74/88/495597488.db2.gz GCBJMSYCGCFAHB-LBPRGKRZSA-N 1 0 351.501 3.215 10 0 FGAERO Cc1noc(CSc2ccccc2C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)n1 ZINC000158866075 495605022 /nfs/dbraw/zinc/60/50/22/495605022.db2.gz VQXBOLDJDKNDEY-BBRMVZONSA-N 1 0 374.510 3.129 10 0 FGAERO Cc1cc(C(=O)CN2C[C@H]3CCC[N@H+]3C[C@@H]2C)c(C)n1Cc1ccco1 ZINC000176338361 495607669 /nfs/dbraw/zinc/60/76/69/495607669.db2.gz KRSGMAHGCHJYLI-FUHWJXTLSA-N 1 0 355.482 3.097 10 0 FGAERO C[C@H]1C[C@H]1NC(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000170806317 495610616 /nfs/dbraw/zinc/61/06/16/495610616.db2.gz VNZKBDTUWONTDU-XJKSGUPXSA-N 1 0 355.404 3.331 10 0 FGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(-c2nccn2C)c1 ZINC000176352072 495615929 /nfs/dbraw/zinc/61/59/29/495615929.db2.gz QVVZELKMHYWGGT-QZTJIDSGSA-N 1 0 353.470 3.178 10 0 FGAERO C[NH+](C)[C@@H]1CCN(C(=O)N[C@@H](COc2ccccc2F)c2ccccc2)C1 ZINC000170831585 495619845 /nfs/dbraw/zinc/61/98/45/495619845.db2.gz GWRQUDOGPQZAGQ-MJGOQNOKSA-N 1 0 371.456 3.291 10 0 FGAERO Cc1nn(Cc2ccccc2)c2sc(C(=O)N3CC[C@@H]([NH+](C)C)C3)cc12 ZINC000170858706 495630636 /nfs/dbraw/zinc/63/06/36/495630636.db2.gz RPQBBJFMKLUOSL-MRXNPFEDSA-N 1 0 368.506 3.231 10 0 FGAERO C[NH+](C)[C@@H]1CCN(C(=O)C2(c3ccc(Br)cc3)CCC2)C1 ZINC000170867892 495633250 /nfs/dbraw/zinc/63/32/50/495633250.db2.gz OHHHRTAJPYLESV-OAHLLOKOSA-N 1 0 351.288 3.033 10 0 FGAERO Cc1cc(C(=O)N2CC[C@H]([NH+](C)C)C2)cc(C)c1OCc1cccnc1 ZINC000170866402 495633519 /nfs/dbraw/zinc/63/35/19/495633519.db2.gz BHKSMULAMUMELU-IBGZPJMESA-N 1 0 353.466 3.054 10 0 FGAERO C[N@H+](CCOc1ccc(F)cc1Cl)[C@@H]1CCCN(c2cccnn2)C1 ZINC000179607731 495659559 /nfs/dbraw/zinc/65/95/59/495659559.db2.gz MDIHNVWTZANVIH-OAHLLOKOSA-N 1 0 364.852 3.249 10 0 FGAERO CCO[C@H]1C[C@@H]([NH2+]Cc2c(Cl)n(C)nc2C(C)C)C12CCOCC2 ZINC000185651708 495663426 /nfs/dbraw/zinc/66/34/26/495663426.db2.gz OTAWKAPOWYDTOL-CABCVRRESA-N 1 0 355.910 3.261 10 0 FGAERO CN(Cc1nc(C(F)(F)F)cs1)C(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000173733157 495667876 /nfs/dbraw/zinc/66/78/76/495667876.db2.gz GCRSURFDMPCGQN-CYBMUJFWSA-N 1 0 371.428 3.293 10 0 FGAERO CCCC(=O)Nc1ccc(Cl)c(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000179631383 495668563 /nfs/dbraw/zinc/66/85/63/495668563.db2.gz DUGIJDASAIFWRU-AWEZNQCLSA-N 1 0 364.877 3.391 10 0 FGAERO C[C@@H](NC(=O)N(CC[NH+](C)C)C1CCCC1)c1ccc2c(c1)OCCO2 ZINC000159242031 495691290 /nfs/dbraw/zinc/69/12/90/495691290.db2.gz BQJSDUBSVIGZNK-OAHLLOKOSA-N 1 0 361.486 3.035 10 0 FGAERO C[C@@H](NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)c1cccc(Br)c1 ZINC000173792207 495695466 /nfs/dbraw/zinc/69/54/66/495695466.db2.gz WNNGBOKIXJAHPD-CZUORRHYSA-N 1 0 364.287 3.166 10 0 FGAERO Cc1cc(CN(C)C(=O)[C@H]2CCC[NH2+]C2)cc(C)c1OCC(F)(F)F ZINC000154796437 495731086 /nfs/dbraw/zinc/73/10/86/495731086.db2.gz FJBGKBFJUQAACD-HNNXBMFYSA-N 1 0 358.404 3.203 10 0 FGAERO Cc1c([C@H](C)[NH2+]C[C@@H](O)COCc2ccco2)cnn1-c1ccc(F)cc1 ZINC000182880704 495739786 /nfs/dbraw/zinc/73/97/86/495739786.db2.gz ZGSJHJJDPANPRB-KBXCAEBGSA-N 1 0 373.428 3.141 10 0 FGAERO C[C@H](NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C)c1cccc(-n2ccnc2)c1 ZINC000173920953 495748442 /nfs/dbraw/zinc/74/84/42/495748442.db2.gz NOJCBUOQVCNIDU-LAUBAEHRSA-N 1 0 362.477 3.222 10 0 FGAERO C[C@@H](NC(=O)Nc1ccn(CC[NH+](C)C)n1)c1ccc(F)c(Cl)c1 ZINC000173929354 495751537 /nfs/dbraw/zinc/75/15/37/495751537.db2.gz FGRKDKWMEQPAJW-LLVKDONJSA-N 1 0 353.829 3.120 10 0 FGAERO CCc1ccc([C@@H](C)NCc2nnc3n2c2ccsc2c(=O)n3C)cc1 ZINC000154930006 495775683 /nfs/dbraw/zinc/77/56/83/495775683.db2.gz TVTKPLRHUUANCH-GFCCVEGCSA-N 1 0 367.478 3.056 10 0 FGAERO CC(C)c1ccc(CCC(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000176863174 495816152 /nfs/dbraw/zinc/81/61/52/495816152.db2.gz COPRNSLCRXULGE-SFHVURJKSA-N 1 0 360.542 3.294 10 0 FGAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)CCc2ccc(C(C)(C)C)cc2)CC1 ZINC000176865351 495817656 /nfs/dbraw/zinc/81/76/56/495817656.db2.gz ALQNQGVSBRXHKU-SFHVURJKSA-N 1 0 374.569 3.468 10 0 FGAERO Cc1ccc(F)cc1NC(=O)[C@H](C)[S@@](=O)Cc1nccn1C(C)C ZINC000176878095 495821896 /nfs/dbraw/zinc/82/18/96/495821896.db2.gz AELDEPVGUDTAMZ-RZFZLAGVSA-N 1 0 351.447 3.187 10 0 FGAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)c2csc3c2CC[C@@H](C)C3)CC1 ZINC000176878569 495823089 /nfs/dbraw/zinc/82/30/89/495823089.db2.gz VBPRZHMCEPDUAR-CABCVRRESA-N 1 0 364.555 3.038 10 0 FGAERO COc1ccccc1C[C@H]([NH2+]CCCNC(=O)c1cccc(O)c1)C(C)C ZINC000155089713 495832835 /nfs/dbraw/zinc/83/28/35/495832835.db2.gz MQPCHQHQHXBHLJ-FQEVSTJZSA-N 1 0 370.493 3.378 10 0 FGAERO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)N1CCC(c2cc[nH]n2)CC1 ZINC000155153661 495855361 /nfs/dbraw/zinc/85/53/61/495855361.db2.gz TUGVJLOLUGUZQT-SFHVURJKSA-N 1 0 371.485 3.119 10 0 FGAERO COc1cc(C[NH2+][C@H]2CN(C(C)C)C[C@@H]2C)ccc1OCc1ccncc1 ZINC000151548457 495874896 /nfs/dbraw/zinc/87/48/96/495874896.db2.gz OTAFIFBUXAGCIB-PXNSSMCTSA-N 1 0 369.509 3.488 10 0 FGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cnc(-c2ccc3c(c2)OCO3)s1 ZINC000177014074 495884244 /nfs/dbraw/zinc/88/42/44/495884244.db2.gz CAZIULSKTRNLAC-AWEZNQCLSA-N 1 0 373.478 3.095 10 0 FGAERO CNc1cc(N2CCC[C@@H]2CNC(=O)Nc2cccc(Cl)c2C)ncn1 ZINC000174268040 495888136 /nfs/dbraw/zinc/88/81/36/495888136.db2.gz ZNAHKLRSHYNSIG-CYBMUJFWSA-N 1 0 374.876 3.271 10 0 FGAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1nc3ccc(Cl)cc3n1C)CC2 ZINC000180168315 495889426 /nfs/dbraw/zinc/88/94/26/495889426.db2.gz AAQASQBSAWDRBF-AAEUAGOBSA-N 1 0 358.877 3.046 10 0 FGAERO CCO[C@H]1C[C@H]([NH2+]CCCn2c(C)nc3ccccc32)C12CCOCC2 ZINC000186207640 495896301 /nfs/dbraw/zinc/89/63/01/495896301.db2.gz XRKSNIDXRIEVLW-PMACEKPBSA-N 1 0 357.498 3.299 10 0 FGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Cc1cccc(OCc2cccnc2)c1 ZINC000180202464 495904909 /nfs/dbraw/zinc/90/49/09/495904909.db2.gz IAUOGXIHEUIIJV-FQEVSTJZSA-N 1 0 367.493 3.146 10 0 FGAERO CCO[C@H]1C[C@@H]([NH2+]C2CCN(CCc3ccccc3)CC2)C12CCOCC2 ZINC000186241206 495910579 /nfs/dbraw/zinc/91/05/79/495910579.db2.gz JUSPLYUMGBIJBN-YADHBBJMSA-N 1 0 372.553 3.257 10 0 FGAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000186241781 495910857 /nfs/dbraw/zinc/91/08/57/495910857.db2.gz DLZAIGCEZZLEDF-UXHICEINSA-N 1 0 372.896 3.413 10 0 FGAERO COc1cccc(-c2ccc(CNC(=O)NC[C@@H]3CCC[N@@H+]3C)cc2)c1 ZINC000174354000 495923396 /nfs/dbraw/zinc/92/33/96/495923396.db2.gz UEYYRUJQCRYIKR-IBGZPJMESA-N 1 0 353.466 3.256 10 0 FGAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)CC(=O)Nc2ccccc2C)C12CCOCC2 ZINC000186309545 495940979 /nfs/dbraw/zinc/94/09/79/495940979.db2.gz NMIRXVQQKCDHRR-QXAKKESOSA-N 1 0 360.498 3.276 10 0 FGAERO COc1cc(-c2ccccc2)ccc1C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000183407265 495969468 /nfs/dbraw/zinc/96/94/68/495969468.db2.gz RGCOIOXUEIABAR-NRFANRHFSA-N 1 0 352.478 3.269 10 0 FGAERO CC(=O)c1c(C)[nH]c(C(=O)CN2CC[C@@H](CNc3cccc(C)[nH+]3)C2)c1C ZINC000171652779 495972927 /nfs/dbraw/zinc/97/29/27/495972927.db2.gz DKVMBFUTDHPKKE-KRWDZBQOSA-N 1 0 368.481 3.154 10 0 FGAERO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000171661086 495977716 /nfs/dbraw/zinc/97/77/16/495977716.db2.gz ZXMSHZOODFABDO-OAHLLOKOSA-N 1 0 355.417 3.472 10 0 FGAERO CCO[C@@H]1C[C@H]([NH2+]CCc2ccc(OC)cc2Cl)C12CCOCC2 ZINC000186387291 495977824 /nfs/dbraw/zinc/97/78/24/495977824.db2.gz FAMFWKWBTTUVHM-ZWKOTPCHSA-N 1 0 353.890 3.455 10 0 FGAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000171663500 495978790 /nfs/dbraw/zinc/97/87/90/495978790.db2.gz QHODSHKHOZWTDA-QGZVFWFLSA-N 1 0 350.384 3.495 10 0 FGAERO CCc1nccn1[C@H]1CCCN(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000151885324 495981673 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CCc1nc2c(s1)[C@@H]([NH2+]C[C@H]1CCCN1c1cc(NC)ncn1)CCC2 ZINC000180578036 496052719 /nfs/dbraw/zinc/05/27/19/496052719.db2.gz AVTZWMFOGUXJQV-KGLIPLIRSA-N 1 0 372.542 3.173 10 0 FGAERO Cc1ccccc1NC(=O)CC[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000174697514 496067397 /nfs/dbraw/zinc/06/73/97/496067397.db2.gz PHDQPCZIHNTPMH-HNNXBMFYSA-N 1 0 360.479 3.078 10 0 FGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cc(Br)ccc1F)CC2 ZINC000180618147 496071770 /nfs/dbraw/zinc/07/17/70/496071770.db2.gz QPINMALZKHYECD-CMPLNLGQSA-N 1 0 367.266 3.408 10 0 FGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(F)cc1OC(F)F)CC2 ZINC000180633301 496078461 /nfs/dbraw/zinc/07/84/61/496078461.db2.gz PGYLFPYBZALQRA-ZYHUDNBSSA-N 1 0 354.376 3.247 10 0 FGAERO CCOc1ccc(Br)cc1NC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171893355 496078878 /nfs/dbraw/zinc/07/88/78/496078878.db2.gz GNKJNALHQVUCSV-ZDUSSCGKSA-N 1 0 368.275 3.160 10 0 FGAERO O=C(c1cccc(C[N@@H+]2CC[C@H](Oc3cccnc3)C2)c1)N1CCCCC1 ZINC000152227911 496087135 /nfs/dbraw/zinc/08/71/35/496087135.db2.gz IKLSTRYJLMYUSH-NRFANRHFSA-N 1 0 365.477 3.361 10 0 FGAERO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cccc(N3CCOC3=O)c1)CC2 ZINC000180652743 496088749 /nfs/dbraw/zinc/08/87/49/496088749.db2.gz VYVYYGJASQLBHH-HOCLYGCPSA-N 1 0 369.469 3.024 10 0 FGAERO Cc1cccn2c(=O)cc(C[NH2+][C@H](C)c3cccc(-n4ccnc4)c3)nc12 ZINC000180658200 496090806 /nfs/dbraw/zinc/09/08/06/496090806.db2.gz PAYNDIKSKVZSRU-MRXNPFEDSA-N 1 0 359.433 3.039 10 0 FGAERO C[C@@H]([NH2+][C@@H](C)c1cccc(-n2ccnc2)c1)C(=O)NCCc1cccs1 ZINC000180664331 496093816 /nfs/dbraw/zinc/09/38/16/496093816.db2.gz DJLQCHTYSUMVQA-JKSUJKDBSA-N 1 0 368.506 3.332 10 0 FGAERO Cc1ccccc1CN(C)C(=O)C[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000180668505 496097267 /nfs/dbraw/zinc/09/72/67/496097267.db2.gz UKJCEVCSJDEHBA-SFHVURJKSA-N 1 0 362.477 3.490 10 0 FGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccn(Cc2ccccc2)n1 ZINC000177541091 496105589 /nfs/dbraw/zinc/10/55/89/496105589.db2.gz XFFWXPOHIVWJIH-QZTJIDSGSA-N 1 0 353.470 3.022 10 0 FGAERO CCC[C@@H](C(=O)Nc1nc(C2CCCC2)c(C(=O)OC)s1)[NH+](C)C ZINC000186828528 496170722 /nfs/dbraw/zinc/17/07/22/496170722.db2.gz FUCMRINIWLQNOW-LBPRGKRZSA-N 1 0 353.488 3.256 10 0 FGAERO Cc1cc(NC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)ccc1C(=O)N(C)C ZINC000152527688 496177739 /nfs/dbraw/zinc/17/77/39/496177739.db2.gz WDKSSILGILPACJ-IBGZPJMESA-N 1 0 368.481 3.121 10 0 FGAERO COc1ccc([C@H](C)[NH2+]C[C@@H](O)COc2cccc3[nH]ccc32)cc1OC ZINC000180890683 496188709 /nfs/dbraw/zinc/18/87/09/496188709.db2.gz XMJXGQLHTNEEQS-GOEBONIOSA-N 1 0 370.449 3.276 10 0 FGAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2cccc(C[S@@](=O)C(C)(C)C)c2)C1 ZINC000172157823 496189291 /nfs/dbraw/zinc/18/92/91/496189291.db2.gz JBHBIKDNZIENNX-CRICUBBOSA-N 1 0 365.543 3.340 10 0 FGAERO C[C@H](NC(=O)[C@H](C)N1CC[N@@H+]2CCCC[C@@H]2C1)c1cc2ccccc2o1 ZINC000177773171 496190174 /nfs/dbraw/zinc/19/01/74/496190174.db2.gz NWNSFDCYXIQDCB-XYJFISCASA-N 1 0 355.482 3.169 10 0 FGAERO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)CC3 ZINC000180903092 496193733 /nfs/dbraw/zinc/19/37/33/496193733.db2.gz OHVZMFKIDNNZDT-IAGOWNOFSA-N 1 0 361.493 3.382 10 0 FGAERO COc1ccc([C@H](C)[NH2+][C@H](C)C(=O)NCc2ccccc2F)cc1OC ZINC000172185282 496199438 /nfs/dbraw/zinc/19/94/38/496199438.db2.gz RJUOKIVOAHCYOQ-UONOGXRCSA-N 1 0 360.429 3.198 10 0 FGAERO C[C@H]([NH2+][C@@H](c1ccccc1)c1ccncc1)c1ccc(-n2cnnn2)cc1 ZINC000156295032 496209321 /nfs/dbraw/zinc/20/93/21/496209321.db2.gz HWSFTQKLCJLOTE-KKSFZXQISA-N 1 0 356.433 3.498 10 0 FGAERO O=C(Nc1ccc(F)cc1OCC(F)(F)F)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000172213286 496210877 /nfs/dbraw/zinc/21/08/77/496210877.db2.gz LJSJGEFXMLUNMO-LBPRGKRZSA-N 1 0 361.339 3.079 10 0 FGAERO COc1cc(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)ccc1Br ZINC000175026109 496213683 /nfs/dbraw/zinc/21/36/83/496213683.db2.gz XBKXWMONMALWLN-ZDUSSCGKSA-N 1 0 368.275 3.160 10 0 FGAERO CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H](C)c2cccc(Br)c2)C1 ZINC000177850583 496223034 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10 0 FGAERO CCO[C@H]1C[C@@H](N(C)C(=O)NC2CC[NH+](C(C)C)CC2)C12CCCC2 ZINC000152893940 496288310 /nfs/dbraw/zinc/28/83/10/496288310.db2.gz MNIGTPUVPGHWAX-MSOLQXFVSA-N 1 0 351.535 3.238 10 0 FGAERO Fc1ccc(Cn2cc(C[N@@H+]3CC[C@H](CNc4ccccn4)C3)cn2)cc1 ZINC000187123374 496303060 /nfs/dbraw/zinc/30/30/60/496303060.db2.gz CLSLJWMQXJQPDK-GOSISDBHSA-N 1 0 365.456 3.400 10 0 FGAERO CCC[C@@H](C(=O)NCc1ccccc1CN(C)Cc1ccco1)[NH+](C)C ZINC000162273862 496326789 /nfs/dbraw/zinc/32/67/89/496326789.db2.gz DNVCBFJBBIDEOY-FQEVSTJZSA-N 1 0 357.498 3.258 10 0 FGAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1c(Cl)cccc1Cl ZINC000175396206 496372867 /nfs/dbraw/zinc/37/28/67/496372867.db2.gz UGOIHGXUJILPML-LLVKDONJSA-N 1 0 351.299 3.098 10 0 FGAERO COC[C@@H](NC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)c1ccco1 ZINC000175397960 496374073 /nfs/dbraw/zinc/37/40/73/496374073.db2.gz CMIYYENXAXOABD-RTBURBONSA-N 1 0 371.481 3.321 10 0 FGAERO C[C@@H]1CC[C@@H](NC(=O)N2CC[NH+](C3CCOCC3)CC2)c2ccccc21 ZINC000153216566 496386301 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O=C(NCCCN1c2ccccc2Sc2ccccc21)[C@H]1CC[NH2+]C1 ZINC000238075366 713600793 /nfs/dbraw/zinc/60/07/93/713600793.db2.gz AXSBLIVHICQETI-HNNXBMFYSA-N 1 0 353.491 3.405 10 0 FGAERO OC[C@@H]1c2ccccc2CC[N@H+]1C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000246466184 713624370 /nfs/dbraw/zinc/62/43/70/713624370.db2.gz OHFOHVOBMDWPOF-YLJYHZDGSA-N 1 0 356.853 3.425 10 0 FGAERO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@H]1CCCC[C@H]1O ZINC000248147605 713646460 /nfs/dbraw/zinc/64/64/60/713646460.db2.gz QIFORGHFMQQJRJ-XJKCOSOUSA-N 1 0 369.303 3.307 10 0 FGAERO O[C@H](COc1ccccc1C(F)(F)F)C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000248373435 713647910 /nfs/dbraw/zinc/64/79/10/713647910.db2.gz IYSHPJYILUJPNS-JLJPHGGASA-N 1 0 359.388 3.089 10 0 FGAERO O[C@H](C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1)c1ccc(F)c(Br)c1 ZINC000248585332 713654214 /nfs/dbraw/zinc/65/42/14/713654214.db2.gz XMSPGGSHTHVAGR-XKQJLSEDSA-N 1 0 372.278 3.249 10 0 FGAERO CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)[C@H]1C ZINC000250137003 713670438 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C[NH2+][C@@H](C)CNC(=O)c1ccc(OCc2ccccc2Cl)c(OC)c1 ZINC000261863731 713715431 /nfs/dbraw/zinc/71/54/31/713715431.db2.gz YUVYSRODTPXTNK-ZDUSSCGKSA-N 1 0 362.857 3.265 10 0 FGAERO C[C@H]1CN(Cc2cnc(-c3ccc(Br)cc3)s2)C[C@@H]1[NH3+] ZINC000262144676 713720013 /nfs/dbraw/zinc/72/00/13/713720013.db2.gz ZLQDIMNSNXGPPI-HZMBPMFUSA-N 1 0 352.301 3.352 10 0 FGAERO C[C@H](C[NH2+][C@H](C)c1ccc2c(c1)OCCO2)N(C)C(=O)OC(C)(C)C ZINC000302456058 713783373 /nfs/dbraw/zinc/78/33/73/713783373.db2.gz PAHGEWCXBLFWEC-ZIAGYGMSSA-N 1 0 350.459 3.364 10 0 FGAERO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000381119505 713978252 /nfs/dbraw/zinc/97/82/52/713978252.db2.gz XRWSIVXMISZDCL-SMLCLMEVSA-N 1 0 352.519 3.425 10 0 FGAERO [NH3+]C[C@@H]1CN(c2ncc(Cl)cc2Br)CC[C@@H]1C(F)(F)F ZINC000630090341 716388088 /nfs/dbraw/zinc/38/80/88/716388088.db2.gz BVYVZMQDEPJGOW-APPZFPTMSA-N 1 0 372.616 3.461 10 0 FGAERO CN(C(=O)c1ccc(Cl)cc1Br)[C@@H](C[NH3+])C(F)(F)F ZINC000662982315 720469031 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3.212 10 0 FGAERO COc1cc(C(=O)N2CC3(CC[NH2+]CC3)c3cc(Cl)ccc32)ccn1 ZINC000096268295 209147335 /nfs/dbraw/zinc/14/73/35/209147335.db2.gz CPPVMMQPYNLBOA-UHFFFAOYSA-N 1 0 357.841 3.025 10 0 FGAERO CC(=O)NC[C@@H]1CCC2(CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)O1 ZINC000011788725 207321721 /nfs/dbraw/zinc/32/17/21/207321721.db2.gz PKXHHSSORNZOIS-KRWDZBQOSA-N 1 0 370.415 3.355 10 0 FGAERO CCn1cc(C[N@@H+]2CC[C@]3(C2)CCCN(CC2CCCCC2)C3=O)cn1 ZINC000011947225 207331829 /nfs/dbraw/zinc/33/18/29/207331829.db2.gz SGCISOPWQLMUFN-NRFANRHFSA-N 1 0 358.530 3.298 10 0 FGAERO CCC[NH2+][C@H](Cc1ncc[nH]1)c1ccccc1I ZINC000035586467 208131926 /nfs/dbraw/zinc/13/19/26/208131926.db2.gz JOKALFRUZXBZTJ-CYBMUJFWSA-N 1 0 355.223 3.298 10 0 FGAERO Cc1nc(-c2cccnc2)sc1C(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000036613097 208165180 /nfs/dbraw/zinc/16/51/80/208165180.db2.gz FABNHQYPHNVIDA-CQSZACIVSA-N 1 0 358.511 3.364 10 0 FGAERO COC(=O)c1ccccc1NC(=S)N1CCN(C)C[C@H]1c1ccccc1 ZINC000073642918 208187652 /nfs/dbraw/zinc/18/76/52/208187652.db2.gz ZKHJIAGWPOWGRQ-SFHVURJKSA-N 1 0 369.490 3.159 10 0 FGAERO Cc1c([C@@H](C)[NH3+])nnn1-c1cc(Br)ccc1Br ZINC000042582207 208293224 /nfs/dbraw/zinc/29/32/24/208293224.db2.gz AGNVWDLXBUBREZ-ZCFIWIBFSA-N 1 0 360.053 3.120 10 0 FGAERO c1cc2c(nc(NC3CC[NH2+]CC3)cc2-c2ncnc3ccsc32)[nH]1 ZINC000072421471 208853620 /nfs/dbraw/zinc/85/36/20/208853620.db2.gz NTHVDWKIIQUKCF-UHFFFAOYSA-N 1 0 350.451 3.399 10 0 FGAERO CC[NH+]1CCN(c2ccc(N)cc2NC(=O)/C=C/c2ccccc2)CC1 ZINC000226260035 132374734 /nfs/dbraw/zinc/37/47/34/132374734.db2.gz BNVNUARYJYKTTL-DHZHZOJOSA-N 1 0 350.466 3.063 10 0 FGAERO CC(C)Oc1ccc(C(=O)Nc2cc(N)ccc2N2CC[NH+](C)CC2)cc1 ZINC000226260006 132374774 /nfs/dbraw/zinc/37/47/74/132374774.db2.gz NEYRDNNGURNXAY-UHFFFAOYSA-N 1 0 368.481 3.060 10 0 FGAERO C[NH+]1CCN(c2ccc(NC(=O)c3cccc4ccccc43)cc2N)CC1 ZINC000226263252 132374799 /nfs/dbraw/zinc/37/47/99/132374799.db2.gz LUFNBSDDAQQQJP-UHFFFAOYSA-N 1 0 360.461 3.426 10 0 FGAERO COCCOc1ccccc1NC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000057479711 493766409 /nfs/dbraw/zinc/76/64/09/493766409.db2.gz GPJLFQMSMNBLRH-SFHVURJKSA-N 1 0 357.454 3.136 10 0 FGAERO CC(C)(C)OC[C@@H](O)C[N@H+](CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000069250550 493942747 /nfs/dbraw/zinc/94/27/47/493942747.db2.gz QOZGZPFPCUCSRN-AWEZNQCLSA-N 1 0 364.313 3.354 10 0 FGAERO CC[NH+]1CCN(CCCNC(=O)[C@H]2C[C@@H]2c2ccc(C(C)C)cc2)CC1 ZINC000076958328 493997118 /nfs/dbraw/zinc/99/71/18/493997118.db2.gz AIOAVGKHAGHVPW-RTWAWAEBSA-N 1 0 357.542 3.057 10 0 FGAERO CC[NH+]1CCN(CCCNC(=O)[C@@H]2C[C@@H]2c2ccc(C(C)C)cc2)CC1 ZINC000076958327 493997165 /nfs/dbraw/zinc/99/71/65/493997165.db2.gz AIOAVGKHAGHVPW-NHCUHLMSSA-N 1 0 357.542 3.057 10 0 FGAERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1ccc(OCC2CCOCC2)cc1 ZINC000077528894 494105874 /nfs/dbraw/zinc/10/58/74/494105874.db2.gz QOZXZGFQMXDJNA-INIZCTEOSA-N 1 0 363.502 3.344 10 0 FGAERO O=C1N(Cc2ccccc2)C[C@H]2C[N@H+](Cc3c[nH]c4ccccc34)CCN12 ZINC000085436171 494125224 /nfs/dbraw/zinc/12/52/24/494125224.db2.gz PFMBFFATFFPELF-LJQANCHMSA-N 1 0 360.461 3.290 10 0 FGAERO Cc1cccn2cc(C(=O)N3CCC[C@H]([N@@H+]4CCc5ccccc5C4)C3)nc12 ZINC000072137321 494131963 /nfs/dbraw/zinc/13/19/63/494131963.db2.gz NYCYHKRZJSGZIV-FQEVSTJZSA-N 1 0 374.488 3.306 10 0 FGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N[C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000086364653 494150299 /nfs/dbraw/zinc/15/02/99/494150299.db2.gz AUIRJYFMVOXOJL-HOTGVXAUSA-N 1 0 357.502 3.271 10 0 FGAERO C[C@H]1CCC[N@H+](CCCNC(=O)CCc2cc3ccccc3[nH]c2=O)C1 ZINC000065245430 494182315 /nfs/dbraw/zinc/18/23/15/494182315.db2.gz GUKWALSXCPVJIA-INIZCTEOSA-N 1 0 355.482 3.111 10 0 FGAERO CCCOc1ccccc1[C@H]1N[C@](CO)(c2ccccc2)[C@H]2C[N@H+](C)C[C@H]21 ZINC000065385991 494191941 /nfs/dbraw/zinc/19/19/41/494191941.db2.gz DLTNNTHPSCTXLX-IRMYBRCSSA-N 1 0 366.505 3.185 10 0 FGAERO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000066410577 494329485 /nfs/dbraw/zinc/32/94/85/494329485.db2.gz WRNCUYBIAMBJIN-HOJAQTOUSA-N 1 0 370.493 3.229 10 0 FGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N[C@H](c1ccccn1)c1ccccc1OC ZINC000089697650 494345203 /nfs/dbraw/zinc/34/52/03/494345203.db2.gz WSINZMJBJDXKLD-JXFKEZNVSA-N 1 0 370.497 3.209 10 0 FGAERO COc1cccc(C[C@H]([NH2+][C@H]2CCCN(c3cccnn3)C2)C2CC2)c1 ZINC000089732596 494350260 /nfs/dbraw/zinc/35/02/60/494350260.db2.gz PUDUBXOQIGECGV-ICSRJNTNSA-N 1 0 352.482 3.065 10 0 FGAERO C[N@H+](CCCNC(=O)N[C@H]1CCOc2ccccc21)Cc1ccccc1 ZINC000045130961 494400279 /nfs/dbraw/zinc/40/02/79/494400279.db2.gz IIVQAZZZVIDMOF-IBGZPJMESA-N 1 0 353.466 3.332 10 0 FGAERO CC(C)c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NC(=O)NCC(F)(F)F)cc1 ZINC000073883105 494442119 /nfs/dbraw/zinc/44/21/19/494442119.db2.gz XSYNIMGASOYCDP-VXGBXAGGSA-N 1 0 359.392 3.237 10 0 FGAERO CC(C)CC[NH+]1CCC(CNC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)CC1 ZINC000079654698 494502409 /nfs/dbraw/zinc/50/24/09/494502409.db2.gz PBZZILXUIKKJLG-FQEVSTJZSA-N 1 0 367.578 3.048 10 0 FGAERO Cc1ccc([C@H](CNC(=O)N[C@@H]2CCOc3ccccc32)[NH+](C)C)cc1 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CC(C)C[NH+]1CCN([C@]2(C)CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000725265488 570539269 /nfs/dbraw/zinc/53/92/69/570539269.db2.gz HMIVABTXPNQDHR-HXUWFJFHSA-N 1 0 353.551 3.440 10 0 FGAERO CC[NH2+]Cc1c(F)c(Br)ccc1I ZINC000675063376 571271807 /nfs/dbraw/zinc/27/18/07/571271807.db2.gz DVTSRUZHWWDMPH-UHFFFAOYSA-N 1 0 357.992 3.302 10 0 FGAERO O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000091232741 700418565 /nfs/dbraw/zinc/41/85/65/700418565.db2.gz ZSAFDLANJUXLBZ-HZPDHXFCSA-N 1 0 357.281 3.114 10 0 FGAERO C[C@H]1C[N@H+](Cn2ccc(=O)c3cccc(Br)c32)CCS1 ZINC000105604709 700502977 /nfs/dbraw/zinc/50/29/77/700502977.db2.gz SUINBKVPDOAHPM-NSHDSACASA-N 1 0 353.285 3.159 10 0 FGAERO O[C@@H](CN[C@@H]1CCc2c1c(Br)ccc2F)C[NH+]1CCCCC1 ZINC000134335542 704820978 /nfs/dbraw/zinc/82/09/78/704820978.db2.gz KFBBDEUDXXAFLC-BLLLJJGKSA-N 1 0 371.294 3.012 10 0 FGAERO [NH3+][C@@H]1CC[C@@H](C(=O)NCC2(c3ccc(Br)cc3)CCC2)C1 ZINC000152679384 704970458 /nfs/dbraw/zinc/97/04/58/704970458.db2.gz WNENZJAFFDOTLM-IUODEOHRSA-N 1 0 351.288 3.114 10 0 FGAERO C[NH+](C)[C@H]1CCN(Cn2nc(-c3ccccc3F)n(C3CC3)c2=S)C1 ZINC000170843617 705363379 /nfs/dbraw/zinc/36/33/79/705363379.db2.gz QKYUMNMTZADNCM-AWEZNQCLSA-N 1 0 361.490 3.148 10 0 FGAERO CCn1c(=S)n(CN2CC[N@@H+]3CCC[C@@H]3C2)nc1-c1cccc(C)c1 ZINC000172504281 705421076 /nfs/dbraw/zinc/42/10/76/705421076.db2.gz LFIZHDZBEFIRBM-QGZVFWFLSA-N 1 0 357.527 3.147 10 0 FGAERO CC[C@@H]1CN(C(=O)Nc2cccc(SC(F)F)c2)CC[N@@H+]1C[C@@H](C)O ZINC000175368386 705544416 /nfs/dbraw/zinc/54/44/16/705544416.db2.gz WYHUJCMLLMDYCA-TZMCWYRMSA-N 1 0 373.469 3.310 10 0 FGAERO C/C(=C\c1ccccc1Cl)C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000180352864 705736677 /nfs/dbraw/zinc/73/66/77/705736677.db2.gz RPFBLKJITUGHEC-STTHAQSSSA-N 1 0 364.917 3.295 10 0 FGAERO CCc1nc(NC(=O)C[NH2+][C@H](C)c2ccc(OC)c(OC)c2)sc1C ZINC000180883056 705761591 /nfs/dbraw/zinc/76/15/91/705761591.db2.gz JSLGGPVEJTYTND-LLVKDONJSA-N 1 0 363.483 3.320 10 0 FGAERO 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/nfs/dbraw/zinc/56/89/69/713568969.db2.gz QZPZCOGUDVCOHZ-QXBCROFQSA-N 1 0 350.528 3.335 10 0 FGAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000227383521 713572937 /nfs/dbraw/zinc/57/29/37/713572937.db2.gz CYHYEPZFERFBLB-CWRNSKLLSA-N 1 0 351.288 3.488 10 0 FGAERO [NH3+][C@@H]1CCC[C@H]2CN(c3ncc(Br)cc3C(F)(F)F)C[C@@H]21 ZINC000236295110 713581252 /nfs/dbraw/zinc/58/12/52/713581252.db2.gz NMONFINCIDONGY-PTOFAABTSA-N 1 0 364.209 3.427 10 0 FGAERO CCOc1ccc(-c2nc(C)c(C(=O)N[C@@H]3CCC[C@@H]3C[NH3+])s2)cc1 ZINC000236866859 713584813 /nfs/dbraw/zinc/58/48/13/713584813.db2.gz JOWJXMHPXWNTEJ-GDBMZVCRSA-N 1 0 359.495 3.374 10 0 FGAERO Clc1ccc(C2=NO[C@@H](C[N@@H+]3CC[C@@H](Oc4cccnc4)C3)C2)cc1 ZINC000245633476 713608458 /nfs/dbraw/zinc/60/84/58/713608458.db2.gz QTJNVMDIMSXGRS-QZTJIDSGSA-N 1 0 357.841 3.381 10 0 FGAERO Cc1ccc(-c2nn(CN3C[C@H]4CCC[N@H+]4C[C@H]3C)c(=S)n2C)cc1 ZINC000247163095 713636384 /nfs/dbraw/zinc/63/63/84/713636384.db2.gz STYRODPFNCFROB-NVXWUHKLSA-N 1 0 357.527 3.053 10 0 FGAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000247495021 713641354 /nfs/dbraw/zinc/64/13/54/713641354.db2.gz XDIBVOUNUDETME-LYRGGWFBSA-N 1 0 374.312 3.055 10 0 FGAERO CCOc1ccc(Br)cc1CN(C(=O)C[C@H](C)[NH3+])C1CC1 ZINC000261697530 713712738 /nfs/dbraw/zinc/71/27/38/713712738.db2.gz CLCZSGJWPXLJIS-NSHDSACASA-N 1 0 355.276 3.076 10 0 FGAERO FC(F)(F)c1cc(Br)cnc1N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261740815 713713556 /nfs/dbraw/zinc/71/35/56/713713556.db2.gz LXDLSOPZTOCRJI-KCJUWKMLSA-N 1 0 350.182 3.051 10 0 FGAERO CC(C)[C@H](Cn1cccn1)[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C ZINC000302513651 713783398 /nfs/dbraw/zinc/78/33/98/713783398.db2.gz ZLWMTRRVYWJMAN-IKGGRYGDSA-N 1 0 350.507 3.285 10 0 FGAERO CCOc1cc(C[NH2+]C[C@H]2CCN(C(=O)OC(C)(C)C)C2)ccc1O ZINC000305891967 713794025 /nfs/dbraw/zinc/79/40/25/713794025.db2.gz XSEOKCNAKSOJLF-OAHLLOKOSA-N 1 0 350.459 3.138 10 0 FGAERO C[N@@H+]1CC[C@H]2CN(C(=O)c3cccc(Br)c3Cl)C[C@H]2C1 ZINC000380711773 713977179 /nfs/dbraw/zinc/97/71/79/713977179.db2.gz IIEKFAWTVAGAON-WDEREUQCSA-N 1 0 357.679 3.126 10 0 FGAERO [NH3+]C[C@H]1CN(c2ncc(Cl)cc2Br)CC[C@@H]1C(F)(F)F ZINC000630090344 716388012 /nfs/dbraw/zinc/38/80/12/716388012.db2.gz BVYVZMQDEPJGOW-CBAPKCEASA-N 1 0 372.616 3.461 10 0 FGAERO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(c1ncc(Br)cc1C(F)(F)F)C2 ZINC000709782635 722413337 /nfs/dbraw/zinc/41/33/37/722413337.db2.gz GPUNBZQADQWSLZ-HGNGGELXSA-N 1 0 350.182 3.179 10 0 FGAERO C[C@H]([NH2+][C@H](C1CCC1)[C@H]1CCOC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000711878666 722414322 /nfs/dbraw/zinc/41/43/22/722414322.db2.gz YNBPSUWXFQNQOU-LEUOFYLZSA-N 1 0 352.519 3.427 10 0 FGAERO COc1cc(C[NH2+]CC2CC(NC(=O)OC(C)(C)C)C2)cc(OC)c1 ZINC000715153797 722415697 /nfs/dbraw/zinc/41/56/97/722415697.db2.gz BATGYQFBYOKHPJ-UHFFFAOYSA-N 1 0 350.459 3.097 10 0 FGAERO [NH3+][C@H]1CC[C@@H](C(F)(F)F)N(C(=O)Cc2cccc(C(F)(F)F)c2)C1 ZINC000886035048 739210479 /nfs/dbraw/zinc/21/04/79/739210479.db2.gz VZSVEGGTEHHLOC-RYUDHWBXSA-N 1 0 354.294 3.129 10 0 FGAERO COc1ccccc1/C=C\C[NH2+][C@@H]1CC[C@@H](C(F)(F)F)N(C(C)=O)C1 ZINC000886036519 739211197 /nfs/dbraw/zinc/21/11/97/739211197.db2.gz JFERXBIPEMVJPW-UJFJBFGSSA-N 1 0 356.388 3.240 10 0 FGAERO COc1cc(OC)c2c(c1)-c1cc(OC)c(OC)cc1CC[N@@H+](C)CC2 ZINC000014681388 291071399 /nfs/dbraw/zinc/07/13/99/291071399.db2.gz GMRPVRSCPJYUDP-UHFFFAOYSA-N 1 0 357.450 3.418 10 0 biogenic,in-vitro FGAERO COc1ccc([C@H](C[NH3+])Oc2ccc(I)cc2)cc1 ZINC000042963775 209270584 /nfs/dbraw/zinc/27/05/84/209270584.db2.gz LQGYZCSGEANXMA-HNNXBMFYSA-N 1 0 369.202 3.379 10 0 FGAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc(Br)cc1Br ZINC000104219114 209259860 /nfs/dbraw/zinc/25/98/60/209259860.db2.gz CHTSEEUVXYAHOH-CBAPKCEASA-N 1 0 362.065 3.006 10 0 FGAERO COc1ccc(F)c(CN2CCC[C@@]3(CC[N@@H+](C4CCOCC4)C3)C2)c1 ZINC000011948891 207331085 /nfs/dbraw/zinc/33/10/85/207331085.db2.gz YMFNZKFVQIDAFQ-OAQYLSRUSA-N 1 0 362.489 3.301 10 0 FGAERO Cc1ccsc1[C@@H]1C[C@H]2CN(Cc3cccnc3)C(=O)[C@]23CCC[N@H+]13 ZINC000012449422 207378828 /nfs/dbraw/zinc/37/88/28/207378828.db2.gz ISEFSCYFNKZOOS-ZWOKBUDYSA-N 1 0 353.491 3.390 10 0 FGAERO COc1ccc(-c2nc(NC3CC[NH2+]CC3)cc(-c3ccncc3)n2)cc1 ZINC000073662919 208188150 /nfs/dbraw/zinc/18/81/50/208188150.db2.gz KXCOKWQYANZAPW-UHFFFAOYSA-N 1 0 361.449 3.378 10 0 FGAERO Clc1cc2c(cc1CN1CC[NH+](CCc3ccccc3)CC1)OCO2 ZINC000039199243 208286466 /nfs/dbraw/zinc/28/64/66/208286466.db2.gz CZTUFSFTLAHESX-UHFFFAOYSA-N 1 0 358.869 3.429 10 0 FGAERO Cc1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)n1-c1cccnc1 ZINC000071730641 208770254 /nfs/dbraw/zinc/77/02/54/208770254.db2.gz CJWNPNKSQOIEIP-GOSISDBHSA-N 1 0 352.482 3.015 10 0 FGAERO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]Cc2cnc(Cl)nc2Cl)C1 ZINC000095084562 209019595 /nfs/dbraw/zinc/01/95/95/209019595.db2.gz XRUQSUXATXQMSH-LLVKDONJSA-N 1 0 361.273 3.273 10 0 FGAERO CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccnc(Br)c1 ZINC000095085795 209019656 /nfs/dbraw/zinc/01/96/56/209019656.db2.gz WFHNOKUEDBDFBL-CYBMUJFWSA-N 1 0 370.291 3.333 10 0 FGAERO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(c2cc(C)nc(C3CC3)n2)C1 ZINC000190445275 257368381 /nfs/dbraw/zinc/36/83/81/257368381.db2.gz RXDZDDQGDBGVQC-OAHLLOKOSA-N 1 0 357.527 3.386 10 0 FGAERO CCOc1ccc(C(=O)N2CC[C@H](C[N@H+](C)Cc3scnc3C)C2)cc1 ZINC000190544061 257368750 /nfs/dbraw/zinc/36/87/50/257368750.db2.gz WUBOPEVJZASMOP-MRXNPFEDSA-N 1 0 373.522 3.444 10 0 FGAERO CSc1ccc(C(=O)N2CC[C@H](C[N@H+](C)Cc3scnc3C)C2)o1 ZINC000190539623 257368777 /nfs/dbraw/zinc/36/87/77/257368777.db2.gz ATGTUSNBDKPKLS-CYBMUJFWSA-N 1 0 365.524 3.361 10 0 FGAERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)C(C)(C)c2ccccc2)C1 ZINC000190587207 257369051 /nfs/dbraw/zinc/36/90/51/257369051.db2.gz ZYTYCQJRZMBGHE-LJQANCHMSA-N 1 0 351.494 3.340 10 0 FGAERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)C(C)(C)c2ccccc2F)C1 ZINC000190579327 257369541 /nfs/dbraw/zinc/36/95/41/257369541.db2.gz HVXQABHELFFRHX-SFHVURJKSA-N 1 0 369.484 3.479 10 0 FGAERO [NH3+][C@@H]1c2ccccc2C2(CCN(c3cc(C(F)(F)F)ccn3)CC2)[C@H]1O ZINC000072148010 136142727 /nfs/dbraw/zinc/14/27/27/136142727.db2.gz PVCQVRAVMJRMSR-SJORKVTESA-N 1 0 363.383 3.013 10 0 FGAERO C[C@@H](NC(=O)NCC1([NH+]2CCSCC2)CCCC1)c1cccs1 ZINC000047978077 493768015 /nfs/dbraw/zinc/76/80/15/493768015.db2.gz UPJDGYIPPYKCLG-CQSZACIVSA-N 1 0 353.557 3.470 10 0 FGAERO CCCCCCNC(=O)Nc1ccc(OC[C@H](O)C[NH2+]C(C)C)cc1 ZINC000005523968 493934220 /nfs/dbraw/zinc/93/42/20/493934220.db2.gz CFJMHEIWIQRQOI-QGZVFWFLSA-N 1 0 351.491 3.126 10 0 FGAERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1ccc(C(=O)NCC(C)C)cc1C ZINC000051646502 493980693 /nfs/dbraw/zinc/98/06/93/493980693.db2.gz GKKJKLOHBCXADV-INIZCTEOSA-N 1 0 362.518 3.233 10 0 FGAERO C[C@@H](CNc1cnn(-c2ccccc2)c(=O)c1Cl)[N@@H+]1CCC[C@H](C)C1 ZINC000052160021 494007505 /nfs/dbraw/zinc/00/75/05/494007505.db2.gz IAFFYLKCPBCPPA-GJZGRUSLSA-N 1 0 360.889 3.418 10 0 FGAERO CC(C)c1ccc([C@@H]2C[C@H]2C(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)cc1 ZINC000077000340 494007677 /nfs/dbraw/zinc/00/76/77/494007677.db2.gz GZOAMSQCEOOIEK-BDTNDASRSA-N 1 0 371.569 3.302 10 0 FGAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2cccc(COCCOC(C)C)c2)C1 ZINC000062415659 494012364 /nfs/dbraw/zinc/01/23/64/494012364.db2.gz PKDBDMGZRCSIHT-IBGZPJMESA-N 1 0 363.502 3.234 10 0 FGAERO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(Cc2ccc3ccccc3n2)CC1 ZINC000077173443 494026158 /nfs/dbraw/zinc/02/61/58/494026158.db2.gz XTUMZHUMYDLPIG-KDURUIRLSA-N 1 0 352.526 3.225 10 0 FGAERO Cc1ccc(NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)cc1I ZINC000070575051 494045771 /nfs/dbraw/zinc/04/57/71/494045771.db2.gz ABEKKSKMKCSQHU-GHMZBOCLSA-N 1 0 358.223 3.056 10 0 FGAERO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)Cc1cccc(F)c1)c1ccc2c(c1)OCCO2 ZINC000070788270 494057237 /nfs/dbraw/zinc/05/72/37/494057237.db2.gz KKHUCPIAZLUNNE-CABCVRRESA-N 1 0 372.440 3.295 10 0 FGAERO COc1ccc(CC[NH+]2[C@@H](C)CN(c3ccccn3)C[C@@H]2C)cc1OC ZINC000033638962 494062419 /nfs/dbraw/zinc/06/24/19/494062419.db2.gz IDNTZDUJFHUKQQ-IRXDYDNUSA-N 1 0 355.482 3.241 10 0 FGAERO COc1ccc([C@@H](C)NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc1OC ZINC000085359152 494116682 /nfs/dbraw/zinc/11/66/82/494116682.db2.gz ZYBJCAGYMBNGJO-KGLIPLIRSA-N 1 0 351.491 3.040 10 0 FGAERO C[C@H]1CN(Cc2ccccc2)CCC[N@@H+]1C[C@@H](O)COCc1ccccc1 ZINC000077657996 494133640 /nfs/dbraw/zinc/13/36/40/494133640.db2.gz KDZAXDDFIRUXSA-NZQKXSOJSA-N 1 0 368.521 3.161 10 0 FGAERO CCCn1ccc2cc(NC(=O)C(=O)N[C@@H](CC(C)C)C[NH+](C)C)ccc21 ZINC000077726257 494159304 /nfs/dbraw/zinc/15/93/04/494159304.db2.gz NAZVSUBFQSTKCF-SFHVURJKSA-N 1 0 372.513 3.082 10 0 FGAERO C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCO2)C(=O)N(C)Cc1ccccc1 ZINC000072587834 494210795 /nfs/dbraw/zinc/21/07/95/494210795.db2.gz SDGPTSVMGXKKKK-HOTGVXAUSA-N 1 0 354.450 3.156 10 0 FGAERO CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C)NC(=O)Nc1ccccc1)CC(C)C ZINC000042545753 494226281 /nfs/dbraw/zinc/22/62/81/494226281.db2.gz MQYOTPCDQSMRMO-SJLPKXTDSA-N 1 0 362.518 3.069 10 0 FGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC[C@@H](C)c1nc(-c2ccccc2)no1 ZINC000089697851 494344622 /nfs/dbraw/zinc/34/46/22/494344622.db2.gz FTORSYQPJAXACR-WBVHZDCISA-N 1 0 373.501 3.116 10 0 FGAERO COc1ccc(OC)c([C@H]2CCC[N@@H+]2C[C@H](O)COCc2ccccc2)c1 ZINC000078777777 494359322 /nfs/dbraw/zinc/35/93/22/494359322.db2.gz MDTWNKVKOISBTK-GHTZIAJQSA-N 1 0 371.477 3.418 10 0 FGAERO CNC(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(F)c(F)c2)c1 ZINC000073716710 494416992 /nfs/dbraw/zinc/41/69/92/494416992.db2.gz AFQNXYVRTZMBSM-NWDGAFQWSA-N 1 0 361.392 3.002 10 0 FGAERO C[C@H](NC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(Br)c1 ZINC000079213208 494418689 /nfs/dbraw/zinc/41/86/89/494418689.db2.gz WGMWGJSUCFFBDF-QWHCGFSZSA-N 1 0 366.303 3.294 10 0 FGAERO C[C@@H](NC(=O)NC1CCN(CC[NH+](C)C)CC1)c1ccc2ccccc2c1 ZINC000079219231 494421057 /nfs/dbraw/zinc/42/10/57/494421057.db2.gz PFHUONXYJFAUSO-QGZVFWFLSA-N 1 0 368.525 3.226 10 0 FGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N(Cc1cccs1)C[C@H]1CCCO1 ZINC000079495428 494464624 /nfs/dbraw/zinc/46/46/24/494464624.db2.gz DBYZDLZKNTVVCE-DLBZAZTESA-N 1 0 367.559 3.415 10 0 FGAERO CC(C)[C@@H](CNC(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1)[NH+]1CCCC1 ZINC000074102492 494481618 /nfs/dbraw/zinc/48/16/18/494481618.db2.gz NLBUIIKPFOXELD-FXAWDEMLSA-N 1 0 369.513 3.353 10 0 FGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000067391147 494530260 /nfs/dbraw/zinc/53/02/60/494530260.db2.gz LZWLNNQSIKOEOP-QAPCUYQASA-N 1 0 369.456 3.024 10 0 FGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(F)cc1OCC(F)F ZINC000091192556 494554266 /nfs/dbraw/zinc/55/42/66/494554266.db2.gz OBYOEHVILPWVNF-WCQYABFASA-N 1 0 357.376 3.170 10 0 FGAERO O=C(NCCc1csc(-c2ccccc2)n1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000131378050 494599683 /nfs/dbraw/zinc/59/96/83/494599683.db2.gz FOJWHMPMLLRIGE-GOSISDBHSA-N 1 0 370.522 3.232 10 0 FGAERO COC(=O)[C@@H]1CCN(C(=O)OC)[C@H](C[NH+]2C(C)(C)CCCC2(C)C)C1 ZINC000115751575 494610175 /nfs/dbraw/zinc/61/01/75/494610175.db2.gz IDWNUMJNEMOVJO-CABCVRRESA-N 1 0 354.491 3.050 10 0 FGAERO COc1cccc([C@@H](C)[NH2+]Cc2cn(CCC(N)=O)c3ccccc23)c1 ZINC000067724863 494624595 /nfs/dbraw/zinc/62/45/95/494624595.db2.gz JBCHTYRUUNJZKX-OAHLLOKOSA-N 1 0 351.450 3.376 10 0 FGAERO C[C@@H](NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)c1cccc(-n2ccnc2)c1 ZINC000074876624 494637883 /nfs/dbraw/zinc/63/78/83/494637883.db2.gz BUVPJMGGCAUJBJ-MJGOQNOKSA-N 1 0 369.513 3.449 10 0 FGAERO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)c1cc2cc(Br)ccc2o1 ZINC000091667176 494639323 /nfs/dbraw/zinc/63/93/23/494639323.db2.gz JRMJIHRGSWHIEX-FZMZJTMJSA-N 1 0 353.260 3.177 10 0 FGAERO CC(C)c1csc([C@@H]2CCC[N@H+](C[C@H](O)COC[C@@H]3CCCO3)C2)n1 ZINC000131511594 494643250 /nfs/dbraw/zinc/64/32/50/494643250.db2.gz QKDIJNBZLSUYKU-IKGGRYGDSA-N 1 0 368.543 3.002 10 0 FGAERO COc1ccc2oc(C[N@H+](C)C3CCN(CCn4cccn4)CC3)cc2c1 ZINC000121239917 494661239 /nfs/dbraw/zinc/66/12/39/494661239.db2.gz LNWPXXMSMYDDEC-UHFFFAOYSA-N 1 0 368.481 3.234 10 0 FGAERO CC(=O)N[C@H]1CCC[N@@H+]([C@@H]2CCCc3ccc(Br)cc32)C1 ZINC000091732901 494661703 /nfs/dbraw/zinc/66/17/03/494661703.db2.gz ZJJLOVZLKYDHNQ-DOTOQJQBSA-N 1 0 351.288 3.427 10 0 FGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(OC)ccc1Br ZINC000092632259 494690856 /nfs/dbraw/zinc/69/08/56/494690856.db2.gz GEFNKTCFKFAYJN-GFCCVEGCSA-N 1 0 355.276 3.014 10 0 FGAERO CC(C)c1ccc2c(c1)[C@H](NC(=O)NCC1CC[NH+](CCO)CC1)CCC2 ZINC000131778942 494728630 /nfs/dbraw/zinc/72/86/30/494728630.db2.gz XXKGEVCMIOTBJK-OAQYLSRUSA-N 1 0 373.541 3.191 10 0 FGAERO C[C@@H](NC(=O)NCCCC[NH+]1CCOCC1)c1ccc2ccccc2c1 ZINC000047912484 494791731 /nfs/dbraw/zinc/79/17/31/494791731.db2.gz GLSOTNGUJJADNS-QGZVFWFLSA-N 1 0 355.482 3.312 10 0 FGAERO CC(C)COc1ccc(C[N@@H+]2CCCN(Cc3cnn(C)c3)CC2)cc1 ZINC000121559735 494803856 /nfs/dbraw/zinc/80/38/56/494803856.db2.gz QONDKJWMOKCXNX-UHFFFAOYSA-N 1 0 356.514 3.163 10 0 FGAERO CCn1cc(CN2CCC[N@H+](Cc3c[nH]nc3-c3ccccc3)CC2)cn1 ZINC000121617853 494821659 /nfs/dbraw/zinc/82/16/59/494821659.db2.gz CGFYFYAHHCEARN-UHFFFAOYSA-N 1 0 364.497 3.001 10 0 FGAERO C[C@H]([NH2+]CC(=O)N[C@@H](c1ccccc1)C1CC1)c1ccc2c(c1)OCCO2 ZINC000126703175 494822951 /nfs/dbraw/zinc/82/29/51/494822951.db2.gz LMIBRECLLCJKNC-NYHFZMIOSA-N 1 0 366.461 3.376 10 0 FGAERO Clc1ccc(-n2cc(C[NH2+][C@@H]3CCCN(c4cccnn4)C3)cn2)cc1 ZINC000109070775 494827131 /nfs/dbraw/zinc/82/71/31/494827131.db2.gz WUVKBCFEBXXODC-QGZVFWFLSA-N 1 0 368.872 3.074 10 0 FGAERO C[NH+](C)CCOc1ccc(CNC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000109088523 494829690 /nfs/dbraw/zinc/82/96/90/494829690.db2.gz IRYKKGGTJJGCIO-MSOLQXFVSA-N 1 0 374.431 3.325 10 0 FGAERO CSc1cnn(-c2ccccc2)c1NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000126772107 494835672 /nfs/dbraw/zinc/83/56/72/494835672.db2.gz OERFQHCSEJHBJU-INIZCTEOSA-N 1 0 371.510 3.296 10 0 FGAERO CSc1cnn(-c2ccccc2)c1NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000126771863 494835762 /nfs/dbraw/zinc/83/57/62/494835762.db2.gz OERFQHCSEJHBJU-MRXNPFEDSA-N 1 0 371.510 3.296 10 0 FGAERO Cc1cc2occ(CC(=O)N3CCO[C@H](C[NH+](C)C)C3)c2cc1C(C)C ZINC000116784597 494853499 /nfs/dbraw/zinc/85/34/99/494853499.db2.gz YRFAICFAIHQMAM-QGZVFWFLSA-N 1 0 358.482 3.196 10 0 FGAERO CCCOc1ccc(C[NH+]2CCC(N(C)c3cccnn3)CC2)cc1OC ZINC000093272658 494853882 /nfs/dbraw/zinc/85/38/82/494853882.db2.gz SXALHNDMYZWVLE-UHFFFAOYSA-N 1 0 370.497 3.375 10 0 FGAERO CC[C@@H]1CN(C(=O)Nc2ccc(OC(C)C)cc2F)CC[N@@H+]1CCOC ZINC000117451674 494921936 /nfs/dbraw/zinc/92/19/36/494921936.db2.gz VXHCAPOYHASKID-OAHLLOKOSA-N 1 0 367.465 3.187 10 0 FGAERO CC(C)c1csc([C@@H]2CCC[N@H+](C[C@H](O)COC3CCOCC3)C2)n1 ZINC000122198988 494939614 /nfs/dbraw/zinc/93/96/14/494939614.db2.gz BGHMTMFYBXKMEY-CVEARBPZSA-N 1 0 368.543 3.002 10 0 FGAERO Cc1cnn(C[C@H]2CN(CC(C)(C)C[N@H+](C)Cc3ccccc3)CCO2)c1 ZINC000122451193 494977611 /nfs/dbraw/zinc/97/76/11/494977611.db2.gz WMZOIQMDRLDJEN-OAQYLSRUSA-N 1 0 370.541 3.051 10 0 FGAERO Cc1cc(C)n(C[C@@H]2CN(Cc3ccc(OCC(F)F)cc3)CCO2)n1 ZINC000122550235 494992541 /nfs/dbraw/zinc/99/25/41/494992541.db2.gz OIZLZGYYQJTHOD-SFHVURJKSA-N 1 0 365.424 3.045 10 0 FGAERO COc1ccc(OC)c([C@H](C)NC(=O)N[C@@H](CC(C)C)C[NH+](C)C)c1 ZINC000127788808 494998159 /nfs/dbraw/zinc/99/81/59/494998159.db2.gz HKTQBUISBBFBNQ-GJZGRUSLSA-N 1 0 351.491 3.040 10 0 FGAERO C[NH+](C)C[C@@H]1CN(C(=O)Nc2ccccc2Oc2cccc(F)c2)CCO1 ZINC000118810200 495040067 /nfs/dbraw/zinc/04/00/67/495040067.db2.gz UGRQWJCNKGQLJU-QGZVFWFLSA-N 1 0 373.428 3.412 10 0 FGAERO CCc1nccn1[C@@H]1CCC[N@H+](Cc2cn(C)nc2-c2cccnc2)C1 ZINC000122872072 495043584 /nfs/dbraw/zinc/04/35/84/495043584.db2.gz RPSMTIGEAJKUFW-GOSISDBHSA-N 1 0 350.470 3.078 10 0 FGAERO CCc1nccn1[C@H]1CCC[N@H+](Cc2c(OC)cc(OC)cc2OC)C1 ZINC000122919271 495053093 /nfs/dbraw/zinc/05/30/93/495053093.db2.gz ZFYUXGCOEGXOMC-HNNXBMFYSA-N 1 0 359.470 3.308 10 0 FGAERO CC(C)n1nnnc1C[NH2+]C(C)(C)Cc1ccc(Br)cc1 ZINC000111253048 495055285 /nfs/dbraw/zinc/05/52/85/495055285.db2.gz XEXMFZKMNREZHJ-UHFFFAOYSA-N 1 0 352.280 3.127 10 0 FGAERO CCc1nccn1[C@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccncc2)C1 ZINC000122938992 495056334 /nfs/dbraw/zinc/05/63/34/495056334.db2.gz BIWDMYXZACMMGA-SFHVURJKSA-N 1 0 350.470 3.078 10 0 FGAERO CCCC(=O)N[C@@H]1CCCN([C@@H](C)C(=O)Nc2cc(Cl)ccc2F)C1 ZINC000101563846 495077574 /nfs/dbraw/zinc/07/75/74/495077574.db2.gz JBWUIFCLQDEPHX-GXTWGEPZSA-N 1 0 369.868 3.187 10 0 FGAERO C[C@H](NC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1)[C@@H]1CCCO1 ZINC000119058678 495081995 /nfs/dbraw/zinc/08/19/95/495081995.db2.gz IZRNERSDEKDYDL-LNLFQRSKSA-N 1 0 351.535 3.240 10 0 FGAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]Cc1cccnc1N1CCC(C(N)=O)CC1 ZINC000119125923 495099227 /nfs/dbraw/zinc/09/92/27/495099227.db2.gz YUWNMKVIXRXPSJ-LSTHTHJFSA-N 1 0 372.557 3.334 10 0 FGAERO Cc1nc2c(s1)[C@@H](N(C)C(=O)N[C@@H](CC(C)C)C[NH+](C)C)CCC2 ZINC000111826707 495116825 /nfs/dbraw/zinc/11/68/25/495116825.db2.gz DNKWBCZNJUPLDD-HOCLYGCPSA-N 1 0 352.548 3.447 10 0 FGAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000111864572 495122721 /nfs/dbraw/zinc/12/27/21/495122721.db2.gz FZSZVYILYJYYSI-WMLDXEAASA-N 1 0 353.894 3.153 10 0 FGAERO CCOc1ccc([C@H](CC)[NH2+]C[C@@H](C)N2CCOCC2)cc1OCC ZINC000123510075 495143969 /nfs/dbraw/zinc/14/39/69/495143969.db2.gz MTOJWVNZHPIMTN-AEFFLSMTSA-N 1 0 350.503 3.245 10 0 FGAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1)CC2 ZINC000112550797 495204480 /nfs/dbraw/zinc/20/44/80/495204480.db2.gz SWQDLMCQYJZRBS-YOEHRIQHSA-N 1 0 369.513 3.070 10 0 FGAERO CSc1cccc(NC(=O)[C@@H](C)[NH2+][C@H]2CCc3nc(C(C)C)nn3C2)c1 ZINC000112552016 495204810 /nfs/dbraw/zinc/20/48/10/495204810.db2.gz DKBVNWXMCLFRGF-HIFRSBDPSA-N 1 0 373.526 3.055 10 0 FGAERO Cc1ccc(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c(Br)c1 ZINC000104975703 495320599 /nfs/dbraw/zinc/32/05/99/495320599.db2.gz ZBINGTSHDCFPIS-CYBMUJFWSA-N 1 0 352.276 3.460 10 0 FGAERO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]CCc2cn3ccccc3n2)C1 ZINC000129971068 495321444 /nfs/dbraw/zinc/32/14/44/495321444.db2.gz AJNSXVQPDPJEMI-INIZCTEOSA-N 1 0 358.486 3.114 10 0 FGAERO C[C@@H]1CN(c2ccccc2NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)C[C@@H](C)O1 ZINC000105007674 495324721 /nfs/dbraw/zinc/32/47/21/495324721.db2.gz QCNJVVADSPJHHY-KZNAEPCWSA-N 1 0 372.513 3.002 10 0 FGAERO CCCC(=O)Nc1cccc(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1C ZINC000105018996 495327519 /nfs/dbraw/zinc/32/75/19/495327519.db2.gz PLCMMPJENIJUPA-MRXNPFEDSA-N 1 0 358.486 3.436 10 0 FGAERO CCCOc1ccc(C[N@H+](C)[C@H]2CCCN(c3cccnn3)C2)cc1OC ZINC000120233854 495332653 /nfs/dbraw/zinc/33/26/53/495332653.db2.gz HIWRXNKAAHNIIS-SFHVURJKSA-N 1 0 370.497 3.375 10 0 FGAERO C[C@@H](NC(=O)N1CCC[C@@H]([NH+](C)C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000105109370 495337077 /nfs/dbraw/zinc/33/70/77/495337077.db2.gz ARABAWOPGGHOCM-TZMCWYRMSA-N 1 0 359.392 3.382 10 0 FGAERO CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H](c2cccc(C)c2)c2ccccn2)C1 ZINC000130124824 495345447 /nfs/dbraw/zinc/34/54/47/495345447.db2.gz PPZAWKDPZQFGPU-QUCCMNQESA-N 1 0 352.482 3.263 10 0 FGAERO Cc1cc(I)ccc1NC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000136130273 495358576 /nfs/dbraw/zinc/35/85/76/495358576.db2.gz CXEOXFABIJPULT-CQSZACIVSA-N 1 0 358.223 3.070 10 0 FGAERO CN1CCO[C@H](C[NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)C1 ZINC000105471842 495365741 /nfs/dbraw/zinc/36/57/41/495365741.db2.gz YNXRGTSRGMJGFJ-QGZVFWFLSA-N 1 0 373.884 3.013 10 0 FGAERO CN1CCO[C@@H](C[NH2+]Cc2ccc(-c3ccc(Br)cc3)o2)C1 ZINC000105471864 495365784 /nfs/dbraw/zinc/36/57/84/495365784.db2.gz ASNLCQXPXPFWOC-INIZCTEOSA-N 1 0 365.271 3.129 10 0 FGAERO CSc1cc(C(=O)N2CCO[C@H](C[NH+](C)C)C2)c(Cl)cc1Cl ZINC000124951704 495369440 /nfs/dbraw/zinc/36/94/40/495369440.db2.gz ILMGTRZHDMQWNH-SNVBAGLBSA-N 1 0 363.310 3.118 10 0 FGAERO Cc1ccccc1[C@@H](C)NC(=O)NCc1ccccc1OCC[NH+](C)C ZINC000120440526 495378651 /nfs/dbraw/zinc/37/86/51/495378651.db2.gz JZECIWQIRVRZQU-QGZVFWFLSA-N 1 0 355.482 3.496 10 0 FGAERO C[C@@H](c1ccsc1)N1CCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000130381713 495383028 /nfs/dbraw/zinc/38/30/28/495383028.db2.gz XOUBXCZWGKLKHJ-PXNSSMCTSA-N 1 0 371.550 3.126 10 0 FGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(OC)c(Cl)c1 ZINC000125068528 495385470 /nfs/dbraw/zinc/38/54/70/495385470.db2.gz LHWLDIKJLFWPNB-HUUCEWRRSA-N 1 0 351.878 3.117 10 0 FGAERO Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000114511496 495387294 /nfs/dbraw/zinc/38/72/94/495387294.db2.gz NPLPHMFHJSZNSZ-SFHVURJKSA-N 1 0 355.486 3.468 10 0 FGAERO COc1cc(F)c([C@@H](C)NC(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc1OC ZINC000114589144 495396152 /nfs/dbraw/zinc/39/61/52/495396152.db2.gz RZSPTPRPJBBMHI-KGLIPLIRSA-N 1 0 369.481 3.179 10 0 FGAERO CN1CCO[C@@H](CNC(=O)[C@H](Sc2ccccc2F)c2ccccc2)C1 ZINC000106020423 495403992 /nfs/dbraw/zinc/40/39/92/495403992.db2.gz BDCVFSVOVLYSMT-QFBILLFUSA-N 1 0 374.481 3.106 10 0 FGAERO COCc1ccc([C@H]2CCCN2C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)o1 ZINC000130514251 495404377 /nfs/dbraw/zinc/40/43/77/495404377.db2.gz XGWSITBDTGXYPC-SJLPKXTDSA-N 1 0 363.502 3.393 10 0 FGAERO Cc1ccc(OCCC[NH+]2CCC(N(C)c3cccnn3)CC2)cc1C ZINC000106083669 495412294 /nfs/dbraw/zinc/41/22/94/495412294.db2.gz IFLHFBFGYIEPQT-UHFFFAOYSA-N 1 0 354.498 3.463 10 0 FGAERO CC[C@H]1CN(Cc2coc(-c3cccc(Cl)c3)n2)CC[N@@H+]1C[C@@H](C)O ZINC000106102727 495414625 /nfs/dbraw/zinc/41/46/25/495414625.db2.gz LVZSQRGZRITBCD-KDOFPFPSSA-N 1 0 363.889 3.272 10 0 FGAERO COCC[N@@H+]1CCN(CCCOc2cccc(C(F)(F)F)c2)C[C@H]1C ZINC000106107189 495415960 /nfs/dbraw/zinc/41/59/60/495415960.db2.gz NUIOWBULVWUQCI-OAHLLOKOSA-N 1 0 360.420 3.127 10 0 FGAERO CCOCC[N@@H+]1CCN([C@@H](C)C(=O)Nc2c(C)cccc2C)C[C@H]1CC ZINC000106117892 495417191 /nfs/dbraw/zinc/41/71/91/495417191.db2.gz SBOMBIVUTPBGPN-RBUKOAKNSA-N 1 0 361.530 3.063 10 0 FGAERO CCCn1cc(CN2CCC[N@H+](Cc3ccccc3OCC)CC2)cn1 ZINC000106158718 495420959 /nfs/dbraw/zinc/42/09/59/495420959.db2.gz XNLTYLVLUCRWGP-UHFFFAOYSA-N 1 0 356.514 3.400 10 0 FGAERO CSc1cccc(NC(=O)[C@H](C)[NH+]2CCC(Cn3cccn3)CC2)c1 ZINC000106183762 495426153 /nfs/dbraw/zinc/42/61/53/495426153.db2.gz ZBUPZPQWPAQJIH-HNNXBMFYSA-N 1 0 358.511 3.344 10 0 FGAERO CCC[C@H](NC(=O)C[NH+]1CCC(Cn2cccn2)CC1)c1ccccc1 ZINC000106184176 495426329 /nfs/dbraw/zinc/42/63/29/495426329.db2.gz YJAOSPYWBPJREU-FQEVSTJZSA-N 1 0 354.498 3.253 10 0 FGAERO CCN(CC)C(=O)[C@@H](c1ccccc1)[NH+]1CCC(Cn2cccn2)CC1 ZINC000106184949 495426437 /nfs/dbraw/zinc/42/64/37/495426437.db2.gz GKASWQOKIATNSC-HXUWFJFHSA-N 1 0 354.498 3.205 10 0 FGAERO CN(C(=O)C[NH+]1CCC(Cn2cccn2)CC1)[C@@H]1CCCc2ccccc21 ZINC000106185935 495428154 /nfs/dbraw/zinc/42/81/54/495428154.db2.gz UJIQSVNRUILDED-OAQYLSRUSA-N 1 0 366.509 3.131 10 0 FGAERO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000106209178 495430801 /nfs/dbraw/zinc/43/08/01/495430801.db2.gz HJRULFVUQACFME-MRXNPFEDSA-N 1 0 371.872 3.035 10 0 FGAERO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1cc(=O)oc2cc(O)ccc12 ZINC000106210453 495430963 /nfs/dbraw/zinc/43/09/63/495430963.db2.gz CJOOLTOMAUQWPR-QGZVFWFLSA-N 1 0 353.422 3.186 10 0 FGAERO CCc1nccn1[C@@H]1CCC[N@H+](C[C@H](O)COc2c(C)ccc(C)c2C)C1 ZINC000106212263 495433337 /nfs/dbraw/zinc/43/33/37/495433337.db2.gz HSKTVBJPWHBAHN-UXHICEINSA-N 1 0 371.525 3.448 10 0 FGAERO CCc1nccn1[C@H]1CCC[N@H+](CCC(=O)N2CCc3ccccc32)C1 ZINC000106214491 495433546 /nfs/dbraw/zinc/43/35/46/495433546.db2.gz ZNWZCKZATSGJJJ-SFHVURJKSA-N 1 0 352.482 3.062 10 0 FGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCC(=O)Nc1ccccc1C(F)(F)F ZINC000137422072 495440569 /nfs/dbraw/zinc/44/05/69/495440569.db2.gz NDVSKQOSIYITJX-ZIAGYGMSSA-N 1 0 355.404 3.203 10 0 FGAERO CC(=O)Nc1ccc(Cl)c(NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c1 ZINC000120848552 495471286 /nfs/dbraw/zinc/47/12/86/495471286.db2.gz OQGBWCWQQIEXJF-ZBEGNZNMSA-N 1 0 352.866 3.149 10 0 FGAERO Cc1cccc(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1Br ZINC000120853924 495471710 /nfs/dbraw/zinc/47/17/10/495471710.db2.gz JDWXUCRGEGADLD-ZDUSSCGKSA-N 1 0 352.276 3.460 10 0 FGAERO Cc1csc([C@H]2CCCN(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C2)n1 ZINC000121036358 495508567 /nfs/dbraw/zinc/50/85/67/495508567.db2.gz DZNVKPPJUWYQOK-GJZGRUSLSA-N 1 0 352.548 3.317 10 0 FGAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCc1ccccc1OC(F)(F)F ZINC000106903066 495509362 /nfs/dbraw/zinc/50/93/62/495509362.db2.gz HNSBQJLQPOAGJV-MRXNPFEDSA-N 1 0 366.383 3.374 10 0 FGAERO CCCCOc1ncccc1CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000106911600 495511305 /nfs/dbraw/zinc/51/13/05/495511305.db2.gz DJJDRAVMZMZDLU-IBGZPJMESA-N 1 0 355.482 3.050 10 0 FGAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCc1ccc(Br)cc1 ZINC000107039619 495520627 /nfs/dbraw/zinc/52/06/27/495520627.db2.gz AKULFVZISXUVHK-QGZVFWFLSA-N 1 0 361.283 3.238 10 0 FGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccccc1NCc1cccnc1 ZINC000176218028 495551115 /nfs/dbraw/zinc/55/11/15/495551115.db2.gz NBFWWWUOIAJPSL-SFHVURJKSA-N 1 0 352.482 3.250 10 0 FGAERO COC(=O)[C@@H]1c2cccc(C3CC[NH2+]CC3)c2CCN1C(=O)OC(C)(C)C ZINC000145686238 495558893 /nfs/dbraw/zinc/55/88/93/495558893.db2.gz BIOGCMOFJINMAM-SFHVURJKSA-N 1 0 374.481 3.161 10 0 FGAERO CCCCN(CC)C(=O)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000173503532 495562037 /nfs/dbraw/zinc/56/20/37/495562037.db2.gz JOVASDRKEKNHSC-FQEVSTJZSA-N 1 0 361.530 3.264 10 0 FGAERO CCOc1cc2c(cc1NC(=O)N(C)C[C@H]1CCC[N@@H+]1CC)O[C@@H](C)C2 ZINC000176282681 495577437 /nfs/dbraw/zinc/57/74/37/495577437.db2.gz MEOGFVKKTVSJTG-GOEBONIOSA-N 1 0 361.486 3.357 10 0 FGAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2ccn(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000182477663 495578797 /nfs/dbraw/zinc/57/87/97/495578797.db2.gz IQPGAIFXGOIMOP-CQSZACIVSA-N 1 0 367.375 3.059 10 0 FGAERO Cc1cc(N2CCC[C@H]([NH2+]Cc3c(C)cc(Cl)cc3C)C2=O)n(C)n1 ZINC000182482723 495580576 /nfs/dbraw/zinc/58/05/76/495580576.db2.gz QXBMTMUHTDOXTE-KRWDZBQOSA-N 1 0 360.889 3.284 10 0 FGAERO Cc1ccc([C@H](CNC(=O)N2CCCC[C@H]2c2cn[nH]c2)[NH+](C)C)cc1 ZINC000182497632 495586483 /nfs/dbraw/zinc/58/64/83/495586483.db2.gz MCPDTZYUYWXGGX-OALUTQOASA-N 1 0 355.486 3.258 10 0 FGAERO C[NH+](C)[C@H]1CCN(C(=O)NCc2ccccc2COCc2ccccc2)C1 ZINC000170829397 495618215 /nfs/dbraw/zinc/61/82/15/495618215.db2.gz FKXWCHWZYKEBGD-NRFANRHFSA-N 1 0 367.493 3.249 10 0 FGAERO C[C@H](NC(=O)N1CC[C@@H]([NH+](C)C)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000170834319 495620377 /nfs/dbraw/zinc/62/03/77/495620377.db2.gz SFROXHIXKOZLAI-GXTWGEPZSA-N 1 0 359.392 3.034 10 0 FGAERO CCC[C@@H](C(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)[NH+](C)C ZINC000179520654 495626557 /nfs/dbraw/zinc/62/65/57/495626557.db2.gz XDRLHJDABZSOOK-LBPRGKRZSA-N 1 0 356.348 3.424 10 0 FGAERO Cc1ccc(C(=O)c2ccccc2C(=O)N2CC[C@H]([NH+](C)C)C2)cc1C ZINC000170856060 495628674 /nfs/dbraw/zinc/62/86/74/495628674.db2.gz OYQQCXOPGPIXRJ-SFHVURJKSA-N 1 0 350.462 3.311 10 0 FGAERO CC(C)c1nnc2n1C[C@@H]([NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)CC2 ZINC000179546191 495634982 /nfs/dbraw/zinc/63/49/82/495634982.db2.gz FMSPXLYJCQDCNA-GPANFISMSA-N 1 0 362.518 3.206 10 0 FGAERO CCc1ccc([C@H](CNC(=O)N2CCC[C@@H]2c2cnn(C)c2)[NH+](C)C)cc1 ZINC000170883365 495640199 /nfs/dbraw/zinc/64/01/99/495640199.db2.gz SWEWRFRLLFWJHX-UXHICEINSA-N 1 0 369.513 3.132 10 0 FGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N(CCc1ccccc1)[C@H]1CCOC1 ZINC000176415302 495643446 /nfs/dbraw/zinc/64/34/46/495643446.db2.gz XOMDJGRFEAMBBO-UXHICEINSA-N 1 0 361.530 3.006 10 0 FGAERO CC[C@H](CC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1)c1ccc(C)cc1 ZINC000176447289 495653696 /nfs/dbraw/zinc/65/36/96/495653696.db2.gz QPNXJCRKEQQPFT-AZUAARDMSA-N 1 0 360.542 3.430 10 0 FGAERO COc1cc(OC)c(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1Cl ZINC000150856591 495659161 /nfs/dbraw/zinc/65/91/61/495659161.db2.gz YVAPSQPPMMCAHZ-FZMZJTMJSA-N 1 0 355.866 3.207 10 0 FGAERO CCCC[C@H](C(=O)Nc1cc(C)on1)[N@@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000154585574 495663291 /nfs/dbraw/zinc/66/32/91/495663291.db2.gz FJEJYNGLSZTBQB-IAGOWNOFSA-N 1 0 359.474 3.150 10 0 FGAERO CCCC(=O)Nc1ccc(Cl)c(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000179631367 495668389 /nfs/dbraw/zinc/66/83/89/495668389.db2.gz DUGIJDASAIFWRU-CQSZACIVSA-N 1 0 364.877 3.391 10 0 FGAERO CC[C@@H]1CN(C(=O)Nc2ccc(OC(C)C)c(C)c2)CC[N@@H+]1CCOC ZINC000173734650 495669232 /nfs/dbraw/zinc/66/92/32/495669232.db2.gz MODYCKGYFJFCFY-GOSISDBHSA-N 1 0 363.502 3.357 10 0 FGAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2cnn(-c3ccc(F)cc3)c2)C12CCOCC2 ZINC000185672049 495673153 /nfs/dbraw/zinc/67/31/53/495673153.db2.gz AANCQJPQPCRMPB-RTBURBONSA-N 1 0 359.445 3.075 10 0 FGAERO Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3ccc(Cl)s3)C2=O)n(C)n1 ZINC000179685190 495690292 /nfs/dbraw/zinc/69/02/92/495690292.db2.gz QEWOEUXGGVMAQR-VXGBXAGGSA-N 1 0 352.891 3.290 10 0 FGAERO CCC[C@@H]([NH3+])C(=O)N(CCC)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000150951389 495692675 /nfs/dbraw/zinc/69/26/75/495692675.db2.gz IJOHUGRPBFCMNJ-CYBMUJFWSA-N 1 0 360.285 3.298 10 0 FGAERO Cc1cc(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)ccc1OC1CCOCC1 ZINC000154729246 495708801 /nfs/dbraw/zinc/70/88/01/495708801.db2.gz SBYYFAGDZKGGDQ-SFHVURJKSA-N 1 0 373.497 3.255 10 0 FGAERO CC(=O)Nc1cc(NC(=O)N[C@@H](C)C[N@H+](C)Cc2ccccc2)ccc1F ZINC000182867893 495734234 /nfs/dbraw/zinc/73/42/34/495734234.db2.gz MBNPPULTFMCKIQ-AWEZNQCLSA-N 1 0 372.444 3.426 10 0 FGAERO CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000151108565 495740002 /nfs/dbraw/zinc/74/00/02/495740002.db2.gz OGZKIRVLVNATKJ-UYAOXDASSA-N 1 0 366.509 3.253 10 0 FGAERO C[C@H]([NH2+][C@@H](CO)c1ccccc1)C(=O)Nc1ccccc1C(F)(F)F ZINC000182927148 495760500 /nfs/dbraw/zinc/76/05/00/495760500.db2.gz VVLCWSRZDRGLGS-LRDDRELGSA-N 1 0 352.356 3.356 10 0 FGAERO C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CCC(Cn2cccn2)CC1 ZINC000174049578 495802668 /nfs/dbraw/zinc/80/26/68/495802668.db2.gz QJIDXEUNUSVYBB-UHFFFAOYSA-N 1 0 366.465 3.243 10 0 FGAERO CC(C)[N@H+]1C[C@H](NC(=O)N2CCC(OCCc3ccccc3)CC2)[C@@H](C)C1 ZINC000176850238 495811111 /nfs/dbraw/zinc/81/11/11/495811111.db2.gz CBFHYCAIVLRSNU-RXVVDRJESA-N 1 0 373.541 3.148 10 0 FGAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000176860037 495815001 /nfs/dbraw/zinc/81/50/01/495815001.db2.gz VHRLNSOHJHCLNC-LBPRGKRZSA-N 1 0 359.297 3.158 10 0 FGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@@H](C)c1cccc(N2CCCC2)c1 ZINC000151397683 495826964 /nfs/dbraw/zinc/82/69/64/495826964.db2.gz VNRVJKYZPMHUQJ-PXNSSMCTSA-N 1 0 358.530 3.474 10 0 FGAERO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)C1 ZINC000151428485 495836028 /nfs/dbraw/zinc/83/60/28/495836028.db2.gz XFTWPNDNSZYPOM-GPMSIDNRSA-N 1 0 370.559 3.278 10 0 FGAERO O=C(N[C@@H]1COc2ccccc21)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000171360449 495837490 /nfs/dbraw/zinc/83/74/90/495837490.db2.gz PLPARBUIYUCCAW-PKOBYXMFSA-N 1 0 357.498 3.418 10 0 FGAERO O[C@@H](CO[C@H]1CCCc2ccccc21)C[NH+]1CCC(Cn2cccn2)CC1 ZINC000155188673 495867674 /nfs/dbraw/zinc/86/76/74/495867674.db2.gz MZCZXQWGKXMFGY-IRLDBZIGSA-N 1 0 369.509 3.050 10 0 FGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1csc(Cc2ccc(F)cc2)n1 ZINC000176991601 495874163 /nfs/dbraw/zinc/87/41/63/495874163.db2.gz LWWDTMOWOCRXFK-INIZCTEOSA-N 1 0 361.486 3.429 10 0 FGAERO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@@H]2CCCC[C@@H]2O)CC1 ZINC000155233784 495885563 /nfs/dbraw/zinc/88/55/63/495885563.db2.gz DZHISGPFRHJEEN-KPFFTGBYSA-N 1 0 359.514 3.062 10 0 FGAERO CCOc1c(Cl)cc(C(=O)N(C)C[C@@H]2CCC[N@@H+]2CC)cc1OC ZINC000177029192 495890611 /nfs/dbraw/zinc/89/06/11/495890611.db2.gz CPRUGMBKCOKPEN-AWEZNQCLSA-N 1 0 354.878 3.304 10 0 FGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1csc(Cc2ccccc2F)n1 ZINC000177033966 495892709 /nfs/dbraw/zinc/89/27/09/495892709.db2.gz CYUFYYVXDNJQCR-OAHLLOKOSA-N 1 0 361.486 3.429 10 0 FGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(C(=O)NCC(C)(C)C)cc1 ZINC000177044751 495898345 /nfs/dbraw/zinc/89/83/45/495898345.db2.gz PPZDAQKSODGTQF-GOSISDBHSA-N 1 0 359.514 3.019 10 0 FGAERO COc1ccccc1-c1ccc(CNC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000174299984 495899766 /nfs/dbraw/zinc/89/97/66/495899766.db2.gz JIUGJPOKDRKMNU-FQEVSTJZSA-N 1 0 354.494 3.299 10 0 FGAERO COC(=O)C1CCC(C(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)CC1 ZINC000180193557 495899859 /nfs/dbraw/zinc/89/98/59/495899859.db2.gz BTSRGOKYIKMEIX-CTWPCTMYSA-N 1 0 364.530 3.127 10 0 FGAERO CCO[C@@H]1C[C@H]([NH2+]Cc2ccnc(OC3CCCC3)c2)C12CCOCC2 ZINC000186241430 495910680 /nfs/dbraw/zinc/91/06/80/495910680.db2.gz HCVGLHZZNCIWDY-RBUKOAKNSA-N 1 0 360.498 3.467 10 0 FGAERO C[NH+]1CCC(CCNC(=O)N[C@H](Cc2ccccc2)C(F)(F)F)CC1 ZINC000151691551 495920688 /nfs/dbraw/zinc/92/06/88/495920688.db2.gz YFYNDXPACIEPAO-MRXNPFEDSA-N 1 0 357.420 3.191 10 0 FGAERO COc1ccc(-c2ccc(CNC(=O)NC[C@@H]3CCC[N@@H+]3C)cc2)cc1 ZINC000174353730 495923893 /nfs/dbraw/zinc/92/38/93/495923893.db2.gz MPHKUOTYHKEAOE-IBGZPJMESA-N 1 0 353.466 3.256 10 0 FGAERO CCn1cc(C2CCN(C(=O)NCCC[NH+](C(C)C)C(C)C)CC2)cn1 ZINC000174360230 495927682 /nfs/dbraw/zinc/92/76/82/495927682.db2.gz AHNSSQQQCMAZKJ-UHFFFAOYSA-N 1 0 363.550 3.301 10 0 FGAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cc(OC)c(OC)cc2F)C12CCOCC2 ZINC000186338066 495954423 /nfs/dbraw/zinc/95/44/23/495954423.db2.gz WXSVGPPOSTYVLL-MJXNMMHHSA-N 1 0 367.461 3.468 10 0 FGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(N2CCSCC2)cc1 ZINC000177169926 495958673 /nfs/dbraw/zinc/95/86/73/495958673.db2.gz LXMWYFVPDUIASX-PKOBYXMFSA-N 1 0 374.554 3.330 10 0 FGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1csc(Cc2cccc(F)c2)n1 ZINC000180346752 495960110 /nfs/dbraw/zinc/96/01/10/495960110.db2.gz YZHNVHAUBKFXGK-INIZCTEOSA-N 1 0 361.486 3.429 10 0 FGAERO CCO[C@H]1C[C@H]([NH2+]CCNc2ncc(Cl)cc2Cl)C12CCOCC2 ZINC000186355269 495961512 /nfs/dbraw/zinc/96/15/12/495961512.db2.gz AECLTNXNTJVPAQ-GJZGRUSLSA-N 1 0 374.312 3.364 10 0 FGAERO C[C@@H]1CCc2ccccc2N1C(=O)C[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000171643833 495962570 /nfs/dbraw/zinc/96/25/70/495962570.db2.gz HYMKSBGRGHTZAO-QZTJIDSGSA-N 1 0 364.493 3.183 10 0 FGAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(N(C)C)nc3ccccc23)C12CCOCC2 ZINC000186368300 495968645 /nfs/dbraw/zinc/96/86/45/495968645.db2.gz CIWVIOFCPMYZMF-WOJBJXKFSA-N 1 0 369.509 3.365 10 0 FGAERO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(C)cc2OCCOC)C12CCOCC2 ZINC000186380911 495975065 /nfs/dbraw/zinc/97/50/65/495975065.db2.gz VSMCYGCWJHEOPM-PMACEKPBSA-N 1 0 363.498 3.084 10 0 FGAERO CC(C)C(=O)Nc1ccc(CNC(=O)[C@H](Cc2ccccc2)[NH+](C)C)cc1 ZINC000171664588 495980226 /nfs/dbraw/zinc/98/02/26/495980226.db2.gz WDDVQCHHVBPVMP-FQEVSTJZSA-N 1 0 367.493 3.070 10 0 FGAERO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc(Br)cc2F)CCS1 ZINC000171694994 495993355 /nfs/dbraw/zinc/99/33/55/495993355.db2.gz YKWLMLFQVDRFOP-SNVBAGLBSA-N 1 0 361.280 3.354 10 0 FGAERO C[C@H]1C[N@H+](CCOc2ccc(Cl)cc2Cl)C[C@@H]1N1CCOCC1 ZINC000177248267 495993544 /nfs/dbraw/zinc/99/35/44/495993544.db2.gz DKAWEKQGYMZVKI-BBRMVZONSA-N 1 0 359.297 3.025 10 0 FGAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](C)COc2ccccc2OC)C12CCOCC2 ZINC000186437470 495998711 /nfs/dbraw/zinc/99/87/11/495998711.db2.gz XTHVAYCBGSNENM-NSISKUIASA-N 1 0 363.498 3.274 10 0 FGAERO O=C(CCc1ccc(O)cc1)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000183501439 496011866 /nfs/dbraw/zinc/01/18/66/496011866.db2.gz JCGHUTBKMGCWTK-HXUWFJFHSA-N 1 0 352.478 3.496 10 0 FGAERO Cc1ccc(-c2nc3c(s2)[C@@H]([NH2+]C[C@@H]2CN(C)CCO2)CCC3)cc1 ZINC000180497064 496021121 /nfs/dbraw/zinc/02/11/21/496021121.db2.gz SCBXMYVIWAJXFS-SJORKVTESA-N 1 0 357.523 3.416 10 0 FGAERO COc1cccc(C[C@@H]([NH2+][C@H]2CCc3nnc(C(C)C)n3C2)C2CC2)c1 ZINC000180509455 496025884 /nfs/dbraw/zinc/02/58/84/496025884.db2.gz YBOMEDHNEFJTBF-PKOBYXMFSA-N 1 0 354.498 3.336 10 0 FGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1cc(F)ccc1Br ZINC000177381098 496039066 /nfs/dbraw/zinc/03/90/66/496039066.db2.gz USXRQTBOUOMOQT-AWEZNQCLSA-N 1 0 372.282 3.214 10 0 FGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1ccccc1OCC(F)(F)F ZINC000177382813 496040098 /nfs/dbraw/zinc/04/00/98/496040098.db2.gz HMAROUUDWISFSP-OAHLLOKOSA-N 1 0 373.419 3.253 10 0 FGAERO Cc1cnn([C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000174659696 496050204 /nfs/dbraw/zinc/05/02/04/496050204.db2.gz WTVLZAUJQMJLEU-RTWAWAEBSA-N 1 0 366.509 3.410 10 0 FGAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)Nc2cccc3ccccc32)CC1 ZINC000171843253 496060480 /nfs/dbraw/zinc/06/04/80/496060480.db2.gz GATHKDJONSFNEC-INIZCTEOSA-N 1 0 355.482 3.396 10 0 FGAERO CN(CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)C(=O)CCc1ccco1 ZINC000177467746 496073185 /nfs/dbraw/zinc/07/31/85/496073185.db2.gz HRUXIZMFNKZANO-NRFANRHFSA-N 1 0 370.493 3.116 10 0 FGAERO CN(CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)C(=O)c1ccccc1F ZINC000177469882 496073906 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C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000229589254 713576213 /nfs/dbraw/zinc/57/62/13/713576213.db2.gz OCIGKHPPKZMMBT-QPUJVOFHSA-N 1 0 365.193 3.338 10 0 FGAERO FC(F)(F)c1cc(Br)cnc1N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000236129886 713580675 /nfs/dbraw/zinc/58/06/75/713580675.db2.gz ZCNVGABRRLDLSN-ZJUUUORDSA-N 1 0 350.182 3.194 10 0 FGAERO Cc1c2cc(Br)ccc2oc1C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000237850284 713598029 /nfs/dbraw/zinc/59/80/29/713598029.db2.gz OBRXELXVQUXGBT-GWCFXTLKSA-N 1 0 351.244 3.361 10 0 FGAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 ZINC000238050953 713600291 /nfs/dbraw/zinc/60/02/91/713600291.db2.gz ASTUZMBEFZTKLJ-IINYFYTJSA-N 1 0 353.253 3.036 10 0 FGAERO CC[C@@H]1CN(C(=O)Nc2ccc(SC(F)F)cc2)CC[N@@H+]1C[C@H](C)O ZINC000245577211 713607545 /nfs/dbraw/zinc/60/75/45/713607545.db2.gz FLQGUBGHFPFREG-GXTWGEPZSA-N 1 0 373.469 3.310 10 0 FGAERO O[C@H](CN1CC[C@@H](Oc2cccnc2)C1)c1cccc(Br)c1 ZINC000246574620 713626711 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3.323 10 0 FGAERO C[NH2+][C@H](C)CNC(=O)c1cc(-c2cc(C)sc2C)nc2onc(C)c21 ZINC000261763237 713713815 /nfs/dbraw/zinc/71/38/15/713713815.db2.gz OLWDGTUNRIIGCN-SECBINFHSA-N 1 0 358.467 3.214 10 0 FGAERO COc1cc(-c2noc(C[C@@H]3CCC[NH2+]CC3)n2)ccc1OC(F)F ZINC000261875618 713715480 /nfs/dbraw/zinc/71/54/80/713715480.db2.gz VSAKSYXSTGDLGE-LLVKDONJSA-N 1 0 353.369 3.279 10 0 FGAERO C[C@@H](C[NH2+][C@@H](C)c1ccc2c(c1)OCCO2)N(C)C(=O)OC(C)(C)C ZINC000302455218 713783317 /nfs/dbraw/zinc/78/33/17/713783317.db2.gz PAHGEWCXBLFWEC-KBPBESRZSA-N 1 0 350.459 3.364 10 0 FGAERO C[C@H]([NH2+]C[C@@H](O)c1ccsc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000305502770 713792784 /nfs/dbraw/zinc/79/27/84/713792784.db2.gz IBOSUKGFOGLLQE-OFQRWUPVSA-N 1 0 354.516 3.407 10 0 FGAERO C[C@H](C[NH2+]Cc1cc(Cl)c2c(c1)OCCO2)N(C)C(=O)OC(C)(C)C ZINC000306050301 713794423 /nfs/dbraw/zinc/79/44/23/713794423.db2.gz SFEAJAKJINDJLZ-GFCCVEGCSA-N 1 0 370.877 3.456 10 0 FGAERO C[C@H]([NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)c1ccc(F)c(Cl)c1 ZINC000702765880 722410828 /nfs/dbraw/zinc/41/08/28/722410828.db2.gz FDNCMOWUSLLEOY-NORZTCDRSA-N 1 0 372.868 3.358 10 0 FGAERO C[C@H]([NH2+]C[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)c1ccc(Cl)s1 ZINC000705033156 722411652 /nfs/dbraw/zinc/41/16/52/722411652.db2.gz XDVWVCCPRZJBGZ-MEDUHNTESA-N 1 0 360.907 3.424 10 0 FGAERO COc1cccc([C@H](C[NH3+])Oc2cccc(I)c2)c1 ZINC000043030902 209274045 /nfs/dbraw/zinc/27/40/45/209274045.db2.gz QXNLDDRVFCWRLJ-HNNXBMFYSA-N 1 0 369.202 3.379 10 0 FGAERO COc1ccccc1[C@@H](C[NH3+])Oc1ccccc1I ZINC000043100249 209273634 /nfs/dbraw/zinc/27/36/34/209273634.db2.gz KVOOUESFQZCDMH-OAHLLOKOSA-N 1 0 369.202 3.379 10 0 FGAERO COc1ccc(C[N@H+](C[C@H](O)COCc2ccco2)C(C)C)cc1OC ZINC000036095789 208146621 /nfs/dbraw/zinc/14/66/21/208146621.db2.gz CCAMBCXMPJBCGY-KRWDZBQOSA-N 1 0 363.454 3.085 10 0 FGAERO COc1ccc(C[N@H+](C[C@H](O)c2ccccc2)C[C@@H]2CCCO2)cc1OC ZINC000036096043 208147441 /nfs/dbraw/zinc/14/74/41/208147441.db2.gz VIPQVNUMTNQLBH-PMACEKPBSA-N 1 0 371.477 3.418 10 0 FGAERO Cc1cc(I)ccc1NC(=O)C[NH2+]C1CCCC1 ZINC000037386860 208179497 /nfs/dbraw/zinc/17/94/97/208179497.db2.gz UBCGFZLZSBOKNH-UHFFFAOYSA-N 1 0 358.223 3.070 10 0 FGAERO COc1ccc(-c2nc(-c3ccccn3)cc(N3CCC[NH2+]CC3)n2)cc1 ZINC000073663379 208189012 /nfs/dbraw/zinc/18/90/12/208189012.db2.gz RQJAIVIQIKHVBI-UHFFFAOYSA-N 1 0 361.449 3.014 10 0 FGAERO C[C@@H]([NH3+])[C@@H](c1ccccc1Br)n1cc(Br)cn1 ZINC000043093828 208301387 /nfs/dbraw/zinc/30/13/87/208301387.db2.gz HJBVICNLFSYCNO-PELKAZGASA-N 1 0 359.065 3.345 10 0 FGAERO FC(F)(F)c1cccc(-c2cc3c(N4CCC[NH2+]CC4)nccn3n2)c1 ZINC000070459164 208757047 /nfs/dbraw/zinc/75/70/47/208757047.db2.gz XXWQAIKNLRPMFG-UHFFFAOYSA-N 1 0 361.371 3.215 10 0 FGAERO Cc1ccc(N[C@H]2CO[C@@]3(C2)CCC[N@H+](Cc2ccc(F)cc2)C3)nn1 ZINC000096048462 209100781 /nfs/dbraw/zinc/10/07/81/209100781.db2.gz FEZZGFJLVZPQIZ-UYAOXDASSA-N 1 0 356.445 3.160 10 0 FGAERO CC(C)(C)OC(=O)N1CC[C@H](C[NH2+]Cc2ccnc(Br)c2)C1 ZINC000095083974 209020105 /nfs/dbraw/zinc/02/01/05/209020105.db2.gz LYUFJCQEJKYYIK-CYBMUJFWSA-N 1 0 370.291 3.191 10 0 FGAERO C[NH+](C)C[C@@H](NC(=O)c1ccc2c(c1)NC(=O)CCS2)c1ccccc1 ZINC000052555621 257345860 /nfs/dbraw/zinc/34/58/60/257345860.db2.gz QKTPZPZESRQTJW-QGZVFWFLSA-N 1 0 369.490 3.154 10 0 FGAERO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(c2cc(C)nc(C3CC3)n2)C1 ZINC000190445300 257368181 /nfs/dbraw/zinc/36/81/81/257368181.db2.gz RXDZDDQGDBGVQC-HNNXBMFYSA-N 1 0 357.527 3.386 10 0 FGAERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)Nc2c(F)cccc2F)C1 ZINC000190443409 257368397 /nfs/dbraw/zinc/36/83/97/257368397.db2.gz OGCWRDPNHCZNMK-OAHLLOKOSA-N 1 0 360.408 3.346 10 0 FGAERO COc1ccc(C)cc1NC(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190444249 257368565 /nfs/dbraw/zinc/36/85/65/257368565.db2.gz TZCYIEBCTWMQJR-SFHVURJKSA-N 1 0 368.481 3.384 10 0 FGAERO CCn1c(C)cc(C(=O)N2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)c1C ZINC000190586701 257369360 /nfs/dbraw/zinc/36/93/60/257369360.db2.gz DJQPHDGOCHQXLS-LJQANCHMSA-N 1 0 354.498 3.114 10 0 FGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1c(F)cc(Br)cc1F ZINC000094716581 494957458 /nfs/dbraw/zinc/95/74/58/494957458.db2.gz NHNJGUWUFZJVHB-NSHDSACASA-N 1 0 361.230 3.284 10 0 FGAERO COC(=O)c1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2cccc(Cl)c2)cc1 ZINC000028660139 493796657 /nfs/dbraw/zinc/79/66/57/493796657.db2.gz CIKYDLBEJZQLPV-SUMWQHHRSA-N 1 0 363.841 3.217 10 0 FGAERO O[C@H](COCc1cccs1)C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000076075033 493817165 /nfs/dbraw/zinc/81/71/65/493817165.db2.gz TWRQKIDCYAZAEY-HBFSDRIKSA-N 1 0 361.507 3.214 10 0 FGAERO CNC(=O)[C@@H](NC(=O)C[NH2+][C@@H](C)c1ccc(C(C)C)cc1)c1ccccc1 ZINC000051591037 493977662 /nfs/dbraw/zinc/97/76/62/493977662.db2.gz FVDNEHYYEMMIES-KKSFZXQISA-N 1 0 367.493 3.064 10 0 FGAERO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCO2)C(=O)Nc1ccc(F)cc1F ZINC000052658469 494051451 /nfs/dbraw/zinc/05/14/51/494051451.db2.gz VQYFLJQJHNKRNW-NWDGAFQWSA-N 1 0 362.376 3.414 10 0 FGAERO C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCO2)C(=O)NCc1ccccc1Cl ZINC000052658513 494051494 /nfs/dbraw/zinc/05/14/94/494051494.db2.gz XCGKPTTYQNZSMH-KBPBESRZSA-N 1 0 374.868 3.467 10 0 FGAERO Cc1c[nH+]ccc1-n1nc(C2CC2)nc1COc1ccc2c(c1)OCO2 ZINC000065494123 494204915 /nfs/dbraw/zinc/20/49/15/494204915.db2.gz NTYMFPFYGLGQRT-UHFFFAOYSA-N 1 0 350.378 3.156 10 0 FGAERO CC(C)(C)[NH2+][C@@H](CO)COc1ccc(NC(=O)NC2CCCCC2)cc1 ZINC000065739527 494232030 /nfs/dbraw/zinc/23/20/30/494232030.db2.gz FNQWDIBHAKDJNO-KRWDZBQOSA-N 1 0 363.502 3.269 10 0 in-vitro FGAERO CC(C)c1ccc([C@@H](C)NC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)cc1 ZINC000073489749 494377405 /nfs/dbraw/zinc/37/74/05/494377405.db2.gz CFNFVRXBXYMQQE-QZTJIDSGSA-N 1 0 360.546 3.054 10 0 FGAERO COc1ccc(F)cc1[C@H](C)NC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000045185509 494404168 /nfs/dbraw/zinc/40/41/68/494404168.db2.gz WXHHANPMCRIHSF-KSSFIOAISA-N 1 0 359.445 3.497 10 0 FGAERO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCc2sccc2C1)c1ccc2c(c1)OCCO2 ZINC000073717108 494417082 /nfs/dbraw/zinc/41/70/82/494417082.db2.gz RDFMRQKLDUGIMR-KGLIPLIRSA-N 1 0 372.490 3.143 10 0 FGAERO COc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)N2CCc3sccc3C2)cc1OC ZINC000079306544 494434108 /nfs/dbraw/zinc/43/41/08/494434108.db2.gz SCITYRXNNDGTTH-KGLIPLIRSA-N 1 0 374.506 3.389 10 0 FGAERO CC(C)CN1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000090773334 494496664 /nfs/dbraw/zinc/49/66/64/494496664.db2.gz QALXDGINZHCHCO-GDBMZVCRSA-N 1 0 356.507 3.000 10 0 FGAERO COc1ccc([C@H](C)NC(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc1OC ZINC000046348155 494519384 /nfs/dbraw/zinc/51/93/84/494519384.db2.gz ATENEHBNYAQFAC-JYJNAYRXSA-N 1 0 363.502 3.184 10 0 FGAERO COc1ccc(CCC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)cc1OC ZINC000022696388 494531443 /nfs/dbraw/zinc/53/14/43/494531443.db2.gz WXQKODNGOFEKIR-SFHVURJKSA-N 1 0 356.466 3.056 10 0 FGAERO CCCCc1cc(=O)[nH]c(-c2ccccc2C[N@H+](C)CCc2cn[nH]c2)n1 ZINC000023130292 494551227 /nfs/dbraw/zinc/55/12/27/494551227.db2.gz XPHJUSUSJBILAC-UHFFFAOYSA-N 1 0 365.481 3.177 10 0 FGAERO CCCN1c2ccc(NC(=O)N3C[C@@H]4CCC[N@@H+]4C[C@@H]3C)cc2CCC1=O ZINC000091196062 494556173 /nfs/dbraw/zinc/55/61/73/494556173.db2.gz NPGLGVMREUMLEX-YJBOKZPZSA-N 1 0 370.497 3.076 10 0 FGAERO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)N[C@H]1CCOc2ccccc21 ZINC000056793977 494564886 /nfs/dbraw/zinc/56/48/86/494564886.db2.gz DCPXJNMCXIXUBN-IBGZPJMESA-N 1 0 371.456 3.423 10 0 FGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000115796799 494625024 /nfs/dbraw/zinc/62/50/24/494625024.db2.gz FSOPLNMBTJYIOZ-HNNXBMFYSA-N 1 0 351.466 3.109 10 0 FGAERO COc1ccc([C@H](C)NC(=O)NC[C@@H](C)C[NH+]2CCCCC2)cc1OC ZINC000057039315 494626289 /nfs/dbraw/zinc/62/62/89/494626289.db2.gz NIYQEECSWORPJH-CVEARBPZSA-N 1 0 363.502 3.186 10 0 FGAERO CCCOc1cccc(C[N@H+](C)C2CCN(CCn3cccn3)CC2)c1 ZINC000121225309 494654132 /nfs/dbraw/zinc/65/41/32/494654132.db2.gz XVGAQHZSZCYVPV-UHFFFAOYSA-N 1 0 356.514 3.268 10 0 FGAERO Cc1cc(Oc2ncccn2)ccc1NC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000092599825 494682769 /nfs/dbraw/zinc/68/27/69/494682769.db2.gz XGHLCONXLOJNSO-HOTGVXAUSA-N 1 0 367.453 3.278 10 0 FGAERO CN1CCC2(CC[NH+](Cc3ccc(-n4cccn4)cc3)CC2)CCC1=O ZINC000067920783 494694712 /nfs/dbraw/zinc/69/47/12/494694712.db2.gz NVCLGGUDAQTTTD-UHFFFAOYSA-N 1 0 352.482 3.097 10 0 FGAERO CCCO[C@@H]1CCC[N@H+](C[C@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000108396754 494699437 /nfs/dbraw/zinc/69/94/37/494699437.db2.gz YCXHJUBYMWZXFD-RBUKOAKNSA-N 1 0 355.906 3.499 10 0 FGAERO O[C@@H](COCc1ccccc1)C[NH+]1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000108492873 494722483 /nfs/dbraw/zinc/72/24/83/494722483.db2.gz ZCLGCYRFCGDZQX-YADHBBJMSA-N 1 0 373.468 3.149 10 0 FGAERO O=C(CC[N@@H+]1CCC[C@@H]1c1ccco1)Nc1ccc(N2CCOCC2)cc1 ZINC000116288037 494752168 /nfs/dbraw/zinc/75/21/68/494752168.db2.gz QYOSKRGVPOHMKY-LJQANCHMSA-N 1 0 369.465 3.282 10 0 FGAERO C[C@H](NC(=O)NCC[N@@H+]1CCCC[C@@H]1C)c1cccc(-n2ccnc2)c1 ZINC000080634756 494752494 /nfs/dbraw/zinc/75/24/94/494752494.db2.gz YRULHFXABSFUIE-IRXDYDNUSA-N 1 0 355.486 3.107 10 0 FGAERO COc1cc(OC)c(C[N@@H+]2CC[C@H](CNc3ccccn3)C2)c(OC)c1 ZINC000092812774 494758815 /nfs/dbraw/zinc/75/88/15/494758815.db2.gz JGPKSCFHTDYKTR-OAHLLOKOSA-N 1 0 357.454 3.041 10 0 FGAERO C[C@@H](NC(=O)C[N@@H+]1CC[C@H](c2cnn(C)c2)C1)c1ccc2ccccc2c1 ZINC000116313280 494759378 /nfs/dbraw/zinc/75/93/78/494759378.db2.gz DNRSMGWDUKEGCQ-UZLBHIALSA-N 1 0 362.477 3.240 10 0 FGAERO Cc1nc(C[C@@H]2CCC[N@H+](Cc3c[nH]nc3-c3ccc(F)cc3)C2)no1 ZINC000092814055 494760929 /nfs/dbraw/zinc/76/09/29/494760929.db2.gz QLACYLHTARZHRL-AWEZNQCLSA-N 1 0 355.417 3.362 10 0 FGAERO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116322589 494762732 /nfs/dbraw/zinc/76/27/32/494762732.db2.gz IDKZAPQNSATGKB-HOCLYGCPSA-N 1 0 360.889 3.082 10 0 FGAERO C[NH+](C)CCOc1cccc(CNC(=O)N2CCC[C@@H]2c2ccco2)c1 ZINC000116421378 494781104 /nfs/dbraw/zinc/78/11/04/494781104.db2.gz XFMWNKKQFCBOOO-GOSISDBHSA-N 1 0 357.454 3.267 10 0 FGAERO Fc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](Cn4cncn4)C3)co2)cc1F ZINC000109064590 494825301 /nfs/dbraw/zinc/82/53/01/494825301.db2.gz XUCRASJWMSQHLR-CYBMUJFWSA-N 1 0 359.380 3.124 10 0 FGAERO C[NH+](C)C[C@@H](NC(=O)CCc1nc(C2CCCC2)no1)c1ccccc1 ZINC000126747925 494831140 /nfs/dbraw/zinc/83/11/40/494831140.db2.gz VOPVFWBXTJNZSQ-QGZVFWFLSA-N 1 0 356.470 3.079 10 0 FGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N(C)Cc2ccc(Br)s2)C1 ZINC000132224685 494842540 /nfs/dbraw/zinc/84/25/40/494842540.db2.gz KJBRVGMWSGXVQP-YPMHNXCESA-N 1 0 374.348 3.381 10 0 FGAERO CCc1nccn1[C@H]1CCCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC000109284835 494854739 /nfs/dbraw/zinc/85/47/39/494854739.db2.gz LIWRXQDKKIVXRH-ICSRJNTNSA-N 1 0 354.498 3.302 10 0 FGAERO O=C(Nc1cc(F)c(Br)cc1F)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000121786440 494859970 /nfs/dbraw/zinc/85/99/70/494859970.db2.gz CRHRNXFXCIZSCW-SNVBAGLBSA-N 1 0 374.229 3.429 10 0 FGAERO O=C1CCCN1C[C@@H](O)C[N@@H+]1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000117431824 494918385 /nfs/dbraw/zinc/91/83/85/494918385.db2.gz FRHNVJRASYBPOK-ZWKOTPCHSA-N 1 0 350.890 3.240 10 0 FGAERO C[NH+](C)CCOc1cccc(CNC(=O)NC2C3CC4CC(C3)CC2C4)c1 ZINC000127271293 494920504 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CCn1cc(C2CCN(C(=O)[C@H](c3ccccc3)[N@H+](C)CC)CC2)cn1 ZINC000123777216 495184390 /nfs/dbraw/zinc/18/43/90/495184390.db2.gz BOJYFUVUXRMWSX-FQEVSTJZSA-N 1 0 354.498 3.302 10 0 FGAERO Cc1nc(C[C@H]2CCC[N@@H+](C[C@H](O)COc3ccccc3C(C)C)C2)no1 ZINC000103230633 495206550 /nfs/dbraw/zinc/20/65/50/495206550.db2.gz MGCYCMFEWAYQPU-MSOLQXFVSA-N 1 0 373.497 3.196 10 0 FGAERO Cc1cnn(CC[NH2+][C@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)c1 ZINC000124076919 495230414 /nfs/dbraw/zinc/23/04/14/495230414.db2.gz KFZBDZCSILNJDO-MRXNPFEDSA-N 1 0 361.511 3.259 10 0 FGAERO CCOCC[N@@H+]1CCN(C(=O)Nc2ccc3nc(C)oc3c2)C[C@@H]1CC ZINC000119821603 495249047 /nfs/dbraw/zinc/24/90/47/495249047.db2.gz OFZMFMFWIIBSHW-INIZCTEOSA-N 1 0 360.458 3.101 10 0 FGAERO CCOCC[N@@H+]1CCN(C(=O)Nc2ccc(OC(C)C)cc2)C[C@@H]1CC ZINC000119890435 495263309 /nfs/dbraw/zinc/26/33/09/495263309.db2.gz XRZHEIFWHPAWCN-SFHVURJKSA-N 1 0 363.502 3.438 10 0 FGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc(NC(=O)c2cccs2)c1 ZINC000113227926 495285477 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FGAERO Cc1ccc([C@@H]2CCCC[N@@H+]2CCC(=O)Nc2ccc(C(N)=O)cc2)o1 ZINC000124793250 495344076 /nfs/dbraw/zinc/34/40/76/495344076.db2.gz STUWOUYEJNTUDQ-KRWDZBQOSA-N 1 0 355.438 3.243 10 0 FGAERO Cc1cccnc1CNC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000105201367 495344826 /nfs/dbraw/zinc/34/48/26/495344826.db2.gz ZQGOATZEJHMAAV-LJQANCHMSA-N 1 0 352.482 3.244 10 0 FGAERO C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000106079721 495410557 /nfs/dbraw/zinc/41/05/57/495410557.db2.gz IXEBHXVVGXVUCF-RHSMWYFYSA-N 1 0 373.888 3.058 10 0 FGAERO Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+](C)[C@@H]2CCCN(c3cccnn3)C2)c1 ZINC000106076588 495410747 /nfs/dbraw/zinc/41/07/47/495410747.db2.gz GUGXIZUFHPPXOP-PKOBYXMFSA-N 1 0 367.497 3.021 10 0 FGAERO C[N@H+](Cc1cc(F)cc2cccnc21)[C@H]1CCCN(c2cccnn2)C1 ZINC000106076249 495410857 /nfs/dbraw/zinc/41/08/57/495410857.db2.gz UJMSAMSJVHWBQQ-SFHVURJKSA-N 1 0 351.429 3.265 10 0 FGAERO CCOc1ccc(NC(=O)CC[NH+]2CCC(c3ccnn3C)CC2)cc1 ZINC000136942335 495411753 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Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3ncc(-c4ccccc4)o3)C2)n1 ZINC000106181757 495424801 /nfs/dbraw/zinc/42/48/01/495424801.db2.gz YQTDVZYARXEBOV-QGZVFWFLSA-N 1 0 351.454 3.462 10 0 FGAERO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1[C@@H](C)C(=O)NCCc1ccccc1C ZINC000106207567 495429874 /nfs/dbraw/zinc/42/98/74/495429874.db2.gz QYOJLSZYPCLLAV-AZUAARDMSA-N 1 0 368.525 3.230 10 0 FGAERO CCc1nccn1[C@@H]1CCC[N@H+](C[C@H](O)COc2c(C)cccc2C)C1 ZINC000106214305 495433060 /nfs/dbraw/zinc/43/30/60/495433060.db2.gz XTPNHOIFAKOMMU-MOPGFXCFSA-N 1 0 357.498 3.139 10 0 FGAERO Cc1cnn([C@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3cccc4ncccc43)C2)c1 ZINC000106221691 495436306 /nfs/dbraw/zinc/43/63/06/495436306.db2.gz KDUGEAMYUKFWJA-IRXDYDNUSA-N 1 0 363.465 3.404 10 0 FGAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000106459185 495458399 /nfs/dbraw/zinc/45/83/99/495458399.db2.gz ADVWBNORJWNMLQ-LEWJYISDSA-N 1 0 368.477 3.356 10 0 FGAERO CC[N@@H+]1CCC[C@@H](NC(=O)N(C)CCc2ccc(Br)cc2)C1 ZINC000106541569 495466453 /nfs/dbraw/zinc/46/64/53/495466453.db2.gz XMMKJCSOLCUFDO-MRXNPFEDSA-N 1 0 368.319 3.117 10 0 FGAERO CC(C)n1c2ccc(C(=O)N3CC[C@@H]([NH+](C)C)C3)cc2nc1C(F)(F)F ZINC000115361890 495494863 /nfs/dbraw/zinc/49/48/63/495494863.db2.gz ARUNIECSUVKPJH-CYBMUJFWSA-N 1 0 368.403 3.412 10 0 FGAERO CN(Cc1ccc(Br)o1)C(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000106906274 495508934 /nfs/dbraw/zinc/50/89/34/495508934.db2.gz VURTYLXCBDESJG-HNNXBMFYSA-N 1 0 365.271 3.173 10 0 FGAERO CC(C)NC(=O)Nc1ccc(NC(=O)[C@H](Cc2ccccc2)[NH+](C)C)cc1 ZINC000106903964 495509085 /nfs/dbraw/zinc/50/90/85/495509085.db2.gz XGABCYOSOIWPFO-IBGZPJMESA-N 1 0 368.481 3.328 10 0 FGAERO COc1ccc(C(C)(C)CNC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)cc1 ZINC000106912357 495510950 /nfs/dbraw/zinc/51/09/50/495510950.db2.gz DMQBJNZVVLRXAD-HXUWFJFHSA-N 1 0 354.494 3.262 10 0 FGAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(NC(=O)Nc3ccccc3)s2)C1 ZINC000176213728 495549278 /nfs/dbraw/zinc/54/92/78/495549278.db2.gz YGHHCRXHNQWGRB-CQSZACIVSA-N 1 0 358.467 3.168 10 0 FGAERO CC[NH+]1CCC(CCNC(=O)N2CCC[C@@H](c3nc(C)cs3)C2)CC1 ZINC000173508217 495564342 /nfs/dbraw/zinc/56/43/42/495564342.db2.gz QECOGRBTDLBXTI-QGZVFWFLSA-N 1 0 364.559 3.463 10 0 FGAERO CCc1c(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cnn1-c1ccc(Cl)cc1 ZINC000185403186 495565353 /nfs/dbraw/zinc/56/53/53/495565353.db2.gz QYPGWYFZMLWAIO-MRXNPFEDSA-N 1 0 358.873 3.008 10 0 FGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1cc(OC)ccc1OC(F)F ZINC000176296866 495584723 /nfs/dbraw/zinc/58/47/23/495584723.db2.gz GHAIJLQGOWCMGP-LBPRGKRZSA-N 1 0 357.401 3.245 10 0 FGAERO C[C@@H](CNC(=O)N[C@H](C[NH+](C)C)c1ccccc1)Oc1ccccc1F ZINC000173562785 495589236 /nfs/dbraw/zinc/58/92/36/495589236.db2.gz ZAHMPFUYCOMWIQ-MAUKXSAKSA-N 1 0 359.445 3.195 10 0 FGAERO O=C(N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21)[C@H]1CCC[NH2+]C1 ZINC000158831503 495597829 /nfs/dbraw/zinc/59/78/29/495597829.db2.gz MNOJJRGTYDDIIX-ZFWWWQNUSA-N 1 0 359.470 3.442 10 0 FGAERO C[NH+](C)[C@H]1CCN(C(=O)NCCc2cccc(OCc3ccccc3)c2)C1 ZINC000154406367 495607054 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CCO[C@@H]1C[C@H]([NH2+]Cc2cc(O)ccc2Br)C12CCOCC2 ZINC000185653779 495664680 /nfs/dbraw/zinc/66/46/80/495664680.db2.gz QXGJWKGVARAXOS-JKSUJKDBSA-N 1 0 370.287 3.219 10 0 FGAERO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(OC)cc3c2O[C@H](C)C3)C12CCOCC2 ZINC000185672341 495672820 /nfs/dbraw/zinc/67/28/20/495672820.db2.gz XAFQFRONDSIXFA-MDASCCDHSA-N 1 0 361.482 3.082 10 0 FGAERO CC[NH+](CC)[C@@H](C)CNC(=O)Cc1c[nH]c2cccc(Br)c12 ZINC000154628293 495676753 /nfs/dbraw/zinc/67/67/53/495676753.db2.gz KFFWLXGHKIOIRM-LBPRGKRZSA-N 1 0 366.303 3.319 10 0 FGAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2ccc(OC(F)F)cc2OC(F)F)C1 ZINC000171077577 495714718 /nfs/dbraw/zinc/71/47/18/495714718.db2.gz KMHRCNKVDKYVMI-SECBINFHSA-N 1 0 365.327 3.057 10 0 FGAERO C[NH+](C)[C@H]1CCN(C(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000171082761 495716717 /nfs/dbraw/zinc/71/67/17/495716717.db2.gz YZNSJLKBPMHRMM-SFHVURJKSA-N 1 0 352.438 3.107 10 0 FGAERO COc1cccc(-c2ccc(CNC(=O)N3CC[C@@H]([NH+](C)C)C3)cc2)c1 ZINC000173915470 495745709 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CC[C@@H](O)C[NH+]1CCN(CCOc2ccc(Oc3ccccc3)cc2)CC1 ZINC000174081962 495814030 /nfs/dbraw/zinc/81/40/30/495814030.db2.gz GFVKAASOSSARJB-LJQANCHMSA-N 1 0 370.493 3.246 10 0 FGAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)c2cc3c(s2)CC[C@H](C)C3)CC1 ZINC000176866022 495817497 /nfs/dbraw/zinc/81/74/97/495817497.db2.gz CZDPSYFTZSANIC-LSDHHAIUSA-N 1 0 364.555 3.038 10 0 FGAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)c2cc3c(s2)CC[C@@H](C)C3)CC1 ZINC000176866040 495817710 /nfs/dbraw/zinc/81/77/10/495817710.db2.gz CZDPSYFTZSANIC-CABCVRRESA-N 1 0 364.555 3.038 10 0 FGAERO Cc1ccc2c(CC(=O)N(C)CC3CC[NH+](C[C@@H](C)O)CC3)coc2c1C ZINC000176887769 495827798 /nfs/dbraw/zinc/82/77/98/495827798.db2.gz SJKUZHZYNQJVQG-MRXNPFEDSA-N 1 0 372.509 3.143 10 0 FGAERO [NH3+][C@@H]1CC[C@H](C(=O)Nc2nc3ccc(OCC(F)(F)F)cc3s2)C1 ZINC000151425875 495836161 /nfs/dbraw/zinc/83/61/61/495836161.db2.gz DIYHUGOTUVNMNW-DTWKUNHWSA-N 1 0 359.373 3.303 10 0 FGAERO CC1CC[NH+](C[C@@H]2CCCN(C(=O)N[C@@H]3COc4ccccc43)C2)CC1 ZINC000171360636 495837103 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FGAERO COc1cc(C[N@H+](C)C[C@H](O)COCc2ccc(Cl)cc2)ccc1O ZINC000177052138 495902210 /nfs/dbraw/zinc/90/22/10/495902210.db2.gz PRQXLXSAWIPRTO-KRWDZBQOSA-N 1 0 365.857 3.064 10 0 FGAERO C[C@@H](CCc1ccccc1)[NH+]1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000171518198 495909628 /nfs/dbraw/zinc/90/96/28/495909628.db2.gz BSTZQKLVBZSXLU-RBBKRZOGSA-N 1 0 368.521 3.065 10 0 FGAERO C[C@@]1(C[NH2+][C@@H](c2ccc(Br)cc2)c2cncnc2)CCCO1 ZINC000186244261 495911092 /nfs/dbraw/zinc/91/10/92/495911092.db2.gz AWJZRPPXGWWPBP-IRXDYDNUSA-N 1 0 362.271 3.487 10 0 FGAERO CCO[C@H]1C[C@H]([NH2+]CCCN(C)c2ccccc2F)C12CCOCC2 ZINC000186263837 495919271 /nfs/dbraw/zinc/91/92/71/495919271.db2.gz BIYZCUVKVSSEEQ-OALUTQOASA-N 1 0 350.478 3.216 10 0 FGAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)C12CCOCC2 ZINC000186281543 495925905 /nfs/dbraw/zinc/92/59/05/495925905.db2.gz WINAGOFVJUFCHZ-ZYSHUDEJSA-N 1 0 374.481 3.268 10 0 FGAERO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)C12CCOCC2 ZINC000186280137 495926722 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CCOc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](CNc3ccccn3)C2)cc1 ZINC000171644632 495964196 /nfs/dbraw/zinc/96/41/96/495964196.db2.gz SLCANKPSBWDWPW-DLBZAZTESA-N 1 0 368.481 3.241 10 0 FGAERO CCc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](CNc3ccccn3)C2)cc1 ZINC000171647232 495965965 /nfs/dbraw/zinc/96/59/65/495965965.db2.gz TWVOSMJCFVKPIM-SJLPKXTDSA-N 1 0 352.482 3.405 10 0 FGAERO CCO[C@H]1C[C@@H]([NH2+]Cc2cnc(C)n2-c2ccccc2)C12CCOCC2 ZINC000186365833 495967026 /nfs/dbraw/zinc/96/70/26/495967026.db2.gz LSXOORHYSNJKLV-UXHICEINSA-N 1 0 355.482 3.245 10 0 FGAERO CCO[C@H]1C[C@@H]([NH2+]CCc2nc(C(F)(F)F)cs2)C12CCOCC2 ZINC000186366011 495967181 /nfs/dbraw/zinc/96/71/81/495967181.db2.gz HFRHNVIXSJOLMX-YPMHNXCESA-N 1 0 364.433 3.268 10 0 FGAERO C[NH+](C)CCCC1CCN(C(=O)Nc2ccc(-c3ncon3)cc2)CC1 ZINC000180376971 495973021 /nfs/dbraw/zinc/97/30/21/495973021.db2.gz GCDYBHAKIRGVJG-UHFFFAOYSA-N 1 0 357.458 3.322 10 0 FGAERO CCO[C@H]1C[C@H]([NH2+]CCc2ccc(OC)cc2Cl)C12CCOCC2 ZINC000186387311 495977324 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CCO[C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc3c2OCC3)C12CCOCC2 ZINC000186503204 496023499 /nfs/dbraw/zinc/02/34/99/496023499.db2.gz SGDLGEQTNJJJOV-IRXDYDNUSA-N 1 0 351.874 3.339 10 0 FGAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@H](C)c1ccc(N3CCOC3=O)cc1)CC2 ZINC000180524460 496032363 /nfs/dbraw/zinc/03/23/63/496032363.db2.gz HQLMVOSFKZAAEG-GDBMZVCRSA-N 1 0 369.469 3.024 10 0 FGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1cc(F)ccc1Br ZINC000177381076 496039041 /nfs/dbraw/zinc/03/90/41/496039041.db2.gz USXRQTBOUOMOQT-CQSZACIVSA-N 1 0 372.282 3.214 10 0 FGAERO CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2cnc3ccsc3c2)ncn1 ZINC000180569061 496048904 /nfs/dbraw/zinc/04/89/04/496048904.db2.gz VPCHZGFJFUSXJQ-UKRRQHHQSA-N 1 0 368.510 3.448 10 0 FGAERO CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2cc(F)c(F)c(F)c2)ncn1 ZINC000180575066 496051618 /nfs/dbraw/zinc/05/16/18/496051618.db2.gz QIXKVNSZDVIRKC-WCQYABFASA-N 1 0 365.403 3.255 10 0 FGAERO CC(C)c1nc([C@H]2CCCN2C(=O)NC[C@H](C)C[NH+]2CCCCC2)no1 ZINC000177432014 496059340 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FGAERO CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC[C@H](c2nc(C)cs2)C1 ZINC000174840670 496128539 /nfs/dbraw/zinc/12/85/39/496128539.db2.gz SEVFTHABUWDFAZ-HOTGVXAUSA-N 1 0 350.532 3.215 10 0 FGAERO [NH3+]C[C@H]1CCCN1C(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000156074586 496149795 /nfs/dbraw/zinc/14/97/95/496149795.db2.gz KNQPBTJQWLABKP-SECBINFHSA-N 1 0 351.166 3.031 10 0 FGAERO COc1cc(Br)c(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1OC ZINC000172082956 496157062 /nfs/dbraw/zinc/15/70/62/496157062.db2.gz QXQIFVDIPKLBOV-GXTWGEPZSA-N 1 0 369.303 3.135 10 0 FGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC000180827512 496161321 /nfs/dbraw/zinc/16/13/21/496161321.db2.gz LQQUZOCLLMDDOR-CHWSQXEVSA-N 1 0 366.387 3.213 10 0 FGAERO C[C@H](NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c1ccc2c(c1)OCCO2 ZINC000172109541 496168065 /nfs/dbraw/zinc/16/80/65/496168065.db2.gz UVEXOYIGGCAMKC-KBXCAEBGSA-N 1 0 363.502 3.184 10 0 FGAERO C[C@@H]1CN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C[C@H](c2ccsc2)O1 ZINC000156189749 496182607 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ALUYLMMWGADLAB-KRWDZBQOSA-N 1 0 353.470 3.109 10 0 FGAERO C[C@@H]1CC[C@H](C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)O1 ZINC000153830526 496593156 /nfs/dbraw/zinc/59/31/56/496593156.db2.gz PNBPPFPPYKESDH-WIYYLYMNSA-N 1 0 358.526 3.405 10 0 FGAERO COC(=O)c1ccc(Cl)c(C[N@H+](C)[C@H]2CCCN(c3cccnn3)C2)c1 ZINC000181921124 496600316 /nfs/dbraw/zinc/60/03/16/496600316.db2.gz QRBMTWBVALQWFC-INIZCTEOSA-N 1 0 374.872 3.017 10 0 FGAERO CC[C@@H]1CN(C(=O)Nc2c(C)cccc2SC)CC[N@@H+]1CCOC ZINC000184967527 496604718 /nfs/dbraw/zinc/60/47/18/496604718.db2.gz WDMQWAIIZXXLEH-OAHLLOKOSA-N 1 0 351.516 3.291 10 0 FGAERO Cc1nc(C[C@H]2CCC[N@H+](C[C@H](O)c3ccc(F)cc3Cl)C2)no1 ZINC000184993042 496614294 /nfs/dbraw/zinc/61/42/94/496614294.db2.gz PUVWMDRXWDKFKI-WBMJQRKESA-N 1 0 353.825 3.159 10 0 FGAERO C[C@@H](NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)c1ccccc1Br ZINC000173400470 496675839 /nfs/dbraw/zinc/67/58/39/496675839.db2.gz UXPNTGIDTOPSPX-KGLIPLIRSA-N 1 0 364.287 3.166 10 0 FGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)CSCC(=O)c1ccc(Cl)cc1 ZINC000176119468 496691476 /nfs/dbraw/zinc/69/14/76/496691476.db2.gz PHQGHQXMPARYEB-INIZCTEOSA-N 1 0 370.946 3.348 10 0 FGAERO Cc1ccc2c(c1)[C@H](NC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1)[C@H](C)C2 ZINC000182331676 496729995 /nfs/dbraw/zinc/72/99/95/496729995.db2.gz JDJAOEBJGFRYHL-FOIQADDNSA-N 1 0 365.477 3.045 10 0 FGAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)Cc1ccc(Br)cc1)CC2 ZINC000188273264 496736164 /nfs/dbraw/zinc/73/61/64/496736164.db2.gz LAOQMVBRGRGNCZ-DOMZBBRYSA-N 1 0 363.303 3.139 10 0 FGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCCc1nc(-c2cccs2)no1 ZINC000246982579 496742033 /nfs/dbraw/zinc/74/20/33/496742033.db2.gz OOBONSYCRLYKAA-CABCVRRESA-N 1 0 374.510 3.206 10 0 FGAERO Cc1cc(N2CCC[C@H]([NH2+][C@@H]3CC[C@H](Cc4ccccc4)C3)C2=O)n(C)n1 ZINC000188350355 496760150 /nfs/dbraw/zinc/76/01/50/496760150.db2.gz KXTDZRCZKJMWHW-AQNXPRMDSA-N 1 0 366.509 3.225 10 0 FGAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000247057688 496765736 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OMGFPBKAFFNEMQ-WQYAIIHGSA-N 1 0 361.471 3.152 10 0 FGAERO COc1ccc(NC(=O)N2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)cc1F ZINC000190496293 497503600 /nfs/dbraw/zinc/50/36/00/497503600.db2.gz WABVGNMWAWOLOR-INIZCTEOSA-N 1 0 372.444 3.215 10 0 FGAERO CCC[C@@H]([NH3+])C(=O)NCc1cccc(NC(=O)Nc2cccc(C)c2)c1 ZINC000262110476 497509234 /nfs/dbraw/zinc/50/92/34/497509234.db2.gz GYWZIJOKEXWYED-GOSISDBHSA-N 1 0 354.454 3.383 10 0 FGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc(C(=O)OC(C)(C)C)c1 ZINC000245714583 497513837 /nfs/dbraw/zinc/51/38/37/497513837.db2.gz CRPRSGLAXWXVIH-MSOLQXFVSA-N 1 0 358.482 3.341 10 0 FGAERO COCc1ccc(C(=O)N2CC[C@@H](C[N@H+](C)Cc3scnc3C)C2)cc1 ZINC000190534564 497519930 /nfs/dbraw/zinc/51/99/30/497519930.db2.gz RUUMVWRBBNCDMN-KRWDZBQOSA-N 1 0 373.522 3.192 10 0 FGAERO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(C(=O)c2cc(F)ccc2F)C1 ZINC000190544135 497522924 /nfs/dbraw/zinc/52/29/24/497522924.db2.gz YWGUPBPRUGJHPH-CYBMUJFWSA-N 1 0 365.449 3.324 10 0 FGAERO COCc1ccc(C[NH+]2CCC(N(C)CC(=O)OC(C)(C)C)CC2)cc1 ZINC000190588159 497535863 /nfs/dbraw/zinc/53/58/63/497535863.db2.gz MJQQSDVTQZSLLQ-UHFFFAOYSA-N 1 0 362.514 3.071 10 0 FGAERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)c2cnc(C(C)(C)C)s2)C1 ZINC000190588783 497536510 /nfs/dbraw/zinc/53/65/10/497536510.db2.gz JTQANOKOQGLAKH-MRXNPFEDSA-N 1 0 372.538 3.430 10 0 FGAERO CC[C@@H](OC1CCCC1)C(=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190590979 497537437 /nfs/dbraw/zinc/53/74/37/497537437.db2.gz KDQKUUNUDGUQDR-UYAOXDASSA-N 1 0 359.514 3.100 10 0 FGAERO [NH3+][C@@H]1CCC[C@H](C(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000262312680 497538719 /nfs/dbraw/zinc/53/87/19/497538719.db2.gz SWBQAOLJYKPBSU-ZENOOKHLSA-N 1 0 357.281 3.411 10 0 FGAERO O=C(Nc1cc(F)cc(F)c1Br)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000190624949 497550284 /nfs/dbraw/zinc/55/02/84/497550284.db2.gz XYAVHGNSWCGQKU-LLVKDONJSA-N 1 0 374.229 3.429 10 0 FGAERO CCOc1ccc(Nc2ncccc2C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000262403310 497550501 /nfs/dbraw/zinc/55/05/01/497550501.db2.gz VNXRFWLRXOMJMJ-GDIGMMSISA-N 1 0 366.465 3.033 10 0 FGAERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)c2scnc2C(C)(C)C)C1 ZINC000190633460 497554441 /nfs/dbraw/zinc/55/44/41/497554441.db2.gz LZGDLDBOSMKRST-MRXNPFEDSA-N 1 0 372.538 3.430 10 0 FGAERO CCOc1cccc(C(=O)N2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)c1 ZINC000190652136 497560422 /nfs/dbraw/zinc/56/04/22/497560422.db2.gz NOPRCEDPEVJFMK-GOSISDBHSA-N 1 0 353.466 3.074 10 0 FGAERO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(C(=O)NOCc2ccccc2)C1 ZINC000190707040 497579215 /nfs/dbraw/zinc/57/92/15/497579215.db2.gz POQBYSIOSDZSAQ-QGZVFWFLSA-N 1 0 374.510 3.047 10 0 FGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(OCC(F)(F)F)cc1 ZINC000246058197 497607176 /nfs/dbraw/zinc/60/71/76/497607176.db2.gz DORGMIPZGTWGOP-JSGCOSHPSA-N 1 0 357.376 3.328 10 0 FGAERO Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N[C@H]3CCC[NH2+][C@@H]3C)c12 ZINC000262778054 497618694 /nfs/dbraw/zinc/61/86/94/497618694.db2.gz LBXXUPOCTYHRRD-CJNGLKHVSA-N 1 0 371.529 3.488 10 0 FGAERO Cc1c(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)cnn1-c1ccccc1F ZINC000246096937 497620505 /nfs/dbraw/zinc/62/05/05/497620505.db2.gz IZULIAUPLZCZKJ-HIFRSBDPSA-N 1 0 357.433 3.020 10 0 FGAERO CC(C)c1ccc(C[C@H](C)NC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)cc1 ZINC000262789844 497621748 /nfs/dbraw/zinc/62/17/48/497621748.db2.gz OCZSUWFAUFUMBS-LPHOPBHVSA-N 1 0 354.498 3.292 10 0 FGAERO CC(C)n1cc(C[N@@H+]2CCC[C@H](N(C)CC(=O)OC(C)(C)C)CC2)cn1 ZINC000190852456 497622393 /nfs/dbraw/zinc/62/23/93/497622393.db2.gz CDGFGWNZZLNONZ-SFHVURJKSA-N 1 0 364.534 3.092 10 0 FGAERO Cc1ccc(Br)c(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)c1 ZINC000246107658 497624341 /nfs/dbraw/zinc/62/43/41/497624341.db2.gz JPDIGALTFPPPLB-OLZOCXBDSA-N 1 0 352.276 3.458 10 0 FGAERO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCC[C@H]2C[C@@H](O)c2ccccc2)C1 ZINC000246111242 497625021 /nfs/dbraw/zinc/62/50/21/497625021.db2.gz HTTFMHKJRYZMIT-HLAWJBBLSA-N 1 0 373.541 3.405 10 0 FGAERO CCCNc1ccc(C(F)(F)F)cc1NC(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000262819322 497628068 /nfs/dbraw/zinc/62/80/68/497628068.db2.gz WSFUGUQBKYEXQU-UHFFFAOYSA-N 1 0 367.375 3.148 10 0 FGAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)C1 ZINC000194347706 497641508 /nfs/dbraw/zinc/64/15/08/497641508.db2.gz GVIKNZQVFNWPDM-IBGZPJMESA-N 1 0 372.513 3.309 10 0 FGAERO CC(C)c1ccc(CCCNC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)cc1 ZINC000262883456 497646374 /nfs/dbraw/zinc/64/63/74/497646374.db2.gz ZFQCXEPQEMSERL-IBGZPJMESA-N 1 0 354.498 3.294 10 0 FGAERO CCCOCc1ccccc1CNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1CC ZINC000246191259 497653882 /nfs/dbraw/zinc/65/38/82/497653882.db2.gz MLBCNUGQAIVYSI-UXHICEINSA-N 1 0 359.514 3.381 10 0 FGAERO C[C@@H]1C[N@H+](CCCSc2ccccc2Cl)C[C@H]1N1CCOCC1 ZINC000246347708 497703720 /nfs/dbraw/zinc/70/37/20/497703720.db2.gz FTQRKKLBDIHCQH-NVXWUHKLSA-N 1 0 354.947 3.475 10 0 FGAERO C[NH+](C)[C@H]1CCN(C(=O)Cc2csc(Cc3cccc(Cl)c3)n2)C1 ZINC000194560064 497704377 /nfs/dbraw/zinc/70/43/77/497704377.db2.gz LFBOCMSPGASIJX-INIZCTEOSA-N 1 0 363.914 3.092 10 0 FGAERO CC[C@@H]1CN(C(=O)C(C)(C)Cc2cccc(Cl)c2)CC[N@@H+]1C[C@H](C)O ZINC000246369748 497711073 /nfs/dbraw/zinc/71/10/73/497711073.db2.gz HYCYNVCSADRYLN-MAUKXSAKSA-N 1 0 366.933 3.212 10 0 FGAERO Cc1cnn([C@H]2CCC[N@@H+](C[C@@H](O)COc3ccccc3C(C)C)C2)c1 ZINC000246401540 497721417 /nfs/dbraw/zinc/72/14/17/497721417.db2.gz XUIBJTGJJLBYPV-RBUKOAKNSA-N 1 0 357.498 3.392 10 0 FGAERO CCc1noc(-c2ccc(C)c(NC(=O)N3C[C@H]4CCC[N@@H+]4C[C@H]3C)c2)n1 ZINC000246404047 497723507 /nfs/dbraw/zinc/72/35/07/497723507.db2.gz QGHMOZVKINQWHR-GDBMZVCRSA-N 1 0 369.469 3.308 10 0 FGAERO Cc1csc([C@@H]2CCCN(C(=O)NC[C@H](C)[N@@H+]3CCC[C@@H](C)C3)C2)n1 ZINC000246444778 497735464 /nfs/dbraw/zinc/73/54/64/497735464.db2.gz UIEPMEAADPGALF-HYVNUMGLSA-N 1 0 364.559 3.461 10 0 FGAERO C/C(=C/c1nc([C@@H]2C[NH2+]CCN2C)no1)c1ccccc1C(F)(F)F ZINC000263222572 497736307 /nfs/dbraw/zinc/73/63/07/497736307.db2.gz MEHCVXMSOOWQBW-FPAJZGIOSA-N 1 0 352.360 3.225 10 0 FGAERO CN1CC[NH2+]C[C@@H]1c1noc([C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)n1 ZINC000263229080 497737426 /nfs/dbraw/zinc/73/74/26/497737426.db2.gz NERNTBDBOCABAX-BFHYXJOUSA-N 1 0 353.253 3.224 10 0 FGAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Nc2cccc(NC(=O)c3ccoc3)c2)C1 ZINC000246446172 497737566 /nfs/dbraw/zinc/73/75/66/497737566.db2.gz OHNGWELLRKDTKE-RDTXWAMCSA-N 1 0 370.453 3.382 10 0 FGAERO C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CCC(c2nc(C(F)(F)F)c[nH]2)CC1 ZINC000263290995 497750975 /nfs/dbraw/zinc/75/09/75/497750975.db2.gz VSIZEMSTMGDRMB-WBMJQRKESA-N 1 0 358.408 3.042 10 0 FGAERO CCc1nccn1[C@H]1CCC[N@H+](C[C@H]2CN(c3ccccc3)C(=O)O2)C1 ZINC000246498609 497754635 /nfs/dbraw/zinc/75/46/35/497754635.db2.gz AWWHEFSFOFSXOF-ROUUACIJSA-N 1 0 354.454 3.108 10 0 FGAERO CC(C)N1C[C@H](C)[C@H]([NH2+][C@@H](C)c2ccc(OCc3nccn3C)cc2)C1 ZINC000246507733 497757882 /nfs/dbraw/zinc/75/78/82/497757882.db2.gz SZVXFKHQBQAMNL-ABSDTBQOSA-N 1 0 356.514 3.378 10 0 FGAERO C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)N1CCC[C@@H](n2cncn2)C1 ZINC000246510710 497759069 /nfs/dbraw/zinc/75/90/69/497759069.db2.gz BGXKQVPTCJUZRS-CZUORRHYSA-N 1 0 372.860 3.303 10 0 FGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cccc(-c2nccn2C)c1 ZINC000246549544 497772000 /nfs/dbraw/zinc/77/20/00/497772000.db2.gz QVVZELKMHYWGGT-MSOLQXFVSA-N 1 0 353.470 3.178 10 0 FGAERO O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246566730 497777047 /nfs/dbraw/zinc/77/70/47/497777047.db2.gz BNXULMYILKHPDP-FUHWJXTLSA-N 1 0 355.482 3.313 10 0 FGAERO O[C@H](Cc1ccccc1)C[N@@H+]1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000246599128 497785689 /nfs/dbraw/zinc/78/56/89/497785689.db2.gz HBCUDYCNSCMSHS-QYZOEREBSA-N 1 0 365.395 3.417 10 0 FGAERO CC[C@@H](c1ccc(Br)cc1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000246647931 497794499 /nfs/dbraw/zinc/79/44/99/497794499.db2.gz COCVQGRUWCLGPV-SJORKVTESA-N 1 0 364.287 3.498 10 0 FGAERO Cc1cnn([C@H]2CCC[N@@H+]([C@H]3CCCN(c4cccc(F)c4)C3=O)C2)c1 ZINC000246749612 497807658 /nfs/dbraw/zinc/80/76/58/497807658.db2.gz JJTACBRHXWATCN-OALUTQOASA-N 1 0 356.445 3.163 10 0 FGAERO C[C@H](NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)c1ccc(OC(F)F)cc1 ZINC000246758368 497808653 /nfs/dbraw/zinc/80/86/53/497808653.db2.gz ALFXZPIHLHAAND-YDHLFZDLSA-N 1 0 353.413 3.227 10 0 FGAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2ccc(Br)cc2)C1 ZINC000246765367 497809248 /nfs/dbraw/zinc/80/92/48/497809248.db2.gz BYPYFJMBKRTRGE-CZUORRHYSA-N 1 0 353.304 3.227 10 0 FGAERO COc1ccc(-c2nc(CN3C[C@@H]4CCC[N@@H+]4C[C@H]3C)cs2)c(OC)c1 ZINC000246770811 497809586 /nfs/dbraw/zinc/80/95/86/497809586.db2.gz AWNFWRCIBXWQCX-ZBFHGGJFSA-N 1 0 373.522 3.496 10 0 FGAERO C[C@H](O)CN1CCN(C(=O)c2ccccc2Oc2ccccc2)C[C@@H]1C ZINC000246806467 497812276 /nfs/dbraw/zinc/81/22/76/497812276.db2.gz RQOSJRBXAONBPM-IRXDYDNUSA-N 1 0 354.450 3.006 10 0 FGAERO Cc1ccc(F)c(C(=O)NC[C@H](c2cccs2)N2CCO[C@@H](C)C2)c1 ZINC000246855951 497816587 /nfs/dbraw/zinc/81/65/87/497816587.db2.gz LULUCSLOUYRVBP-WMLDXEAASA-N 1 0 362.470 3.387 10 0 FGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCc1ccc(OC(F)F)cc1 ZINC000246854142 497816606 /nfs/dbraw/zinc/81/66/06/497816606.db2.gz COHCVONKIYQROH-HOTGVXAUSA-N 1 0 352.425 3.306 10 0 FGAERO C[C@H](C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C)c1ccc(Br)s1 ZINC000246886173 497818582 /nfs/dbraw/zinc/81/85/82/497818582.db2.gz OUOBZQJKUVTAOZ-WOPDTQHZSA-N 1 0 357.317 3.309 10 0 FGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(CSc2nccn2C)o1 ZINC000246921299 497820400 /nfs/dbraw/zinc/82/04/00/497820400.db2.gz JBLPOQBBAYYKNT-GJZGRUSLSA-N 1 0 374.510 3.004 10 0 FGAERO CCNC(=[NH2+])Nc1ccc(Br)c(I)c1 ZINC000300902260 497931876 /nfs/dbraw/zinc/93/18/76/497931876.db2.gz LRLOXEXSMILUNY-UHFFFAOYSA-N 1 0 368.016 3.010 10 0 FGAERO Cc1c2nnc(C(F)(F)F)n2nc(NC[C@H]2CCC[N@H+]2CC(C)C)c1C ZINC000301789568 498264374 /nfs/dbraw/zinc/26/43/74/498264374.db2.gz YKBXWMXSXVEEJM-CYBMUJFWSA-N 1 0 370.423 3.292 10 0 FGAERO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000365871336 498680852 /nfs/dbraw/zinc/68/08/52/498680852.db2.gz QSGZIBKSPHKDCL-DMRKSPOLSA-N 1 0 350.503 3.179 10 0 FGAERO O=C([C@@H]1C[C@]12CCOc1ccc(Cl)cc12)N1CCC[N@@H+](C2CC2)CC1 ZINC000328604859 498873491 /nfs/dbraw/zinc/87/34/91/498873491.db2.gz LOJASXFQFJDBPI-PXNSSMCTSA-N 1 0 360.885 3.077 10 0 FGAERO Cn1cc([C@H]2[C@H](C[NH2+][C@H]3CCC[C@@H]3c3ccc(F)cc3)CC(=O)N2C)cn1 ZINC000328618537 498878033 /nfs/dbraw/zinc/87/80/33/498878033.db2.gz DVDBGTOCXUDFQC-DZJZLKLXSA-N 1 0 370.472 3.005 10 0 FGAERO C[C@@H](c1nc(C2CC2)no1)[N@H+](C)C[C@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000328626507 498881140 /nfs/dbraw/zinc/88/11/40/498881140.db2.gz FDVLXGDTIFDVIC-WDEREUQCSA-N 1 0 369.391 3.418 10 0 FGAERO CC(C)(C)n1cc(C[NH2+]C[C@H]2CCc3nc(C(F)(F)F)cn3C2)cn1 ZINC000328641617 498886805 /nfs/dbraw/zinc/88/68/05/498886805.db2.gz QQMXRZXOFDXREI-GFCCVEGCSA-N 1 0 355.408 3.206 10 0 FGAERO CCn1nc(C)c([C@H](C)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1C ZINC000390893319 499556082 /nfs/dbraw/zinc/55/60/82/499556082.db2.gz BLIWTUDAHMKVFR-LAUBAEHRSA-N 1 0 370.541 3.462 10 0 FGAERO CCOC(=O)[C@]12CC[N@H+](Cc3ccccc3)[C@@H]1CN(C(=O)OC(C)(C)C)C2 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370.469 3.177 10 0 FGAERO CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000118568365 700612001 /nfs/dbraw/zinc/61/20/01/700612001.db2.gz WXCPSHCPFCOYDW-NHYWBVRUSA-N 1 0 362.301 3.056 10 0 FGAERO CCO[C@@H]1C[C@H]([N@H+](C)CC(=O)Nc2cccnc2Cl)C12CCCC2 ZINC000121165035 700667105 /nfs/dbraw/zinc/66/71/05/700667105.db2.gz YSNRCGILLOGPHH-LSDHHAIUSA-N 1 0 351.878 3.343 10 0 FGAERO Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000123338743 700703438 /nfs/dbraw/zinc/70/34/38/700703438.db2.gz CBYYHBGLSOJEBM-SJPCQFCGSA-N 1 0 350.528 3.162 10 0 FGAERO Cc1ccc(NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c(Br)n1 ZINC000151341453 704919969 /nfs/dbraw/zinc/91/99/69/704919969.db2.gz ZXTAJGZAWGTWIC-GWCFXTLKSA-N 1 0 355.280 3.003 10 0 FGAERO Cc1nn(CN2C[C@H]3CCC[N@H+]3C[C@@H]2C)c(=S)n1-c1ccccc1C ZINC000153203420 704988782 /nfs/dbraw/zinc/98/87/82/704988782.db2.gz BGWIUKZSNYLAPT-DOTOQJQBSA-N 1 0 357.527 3.146 10 0 FGAERO CC(C)(Sc1ccc(Br)cc1)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000157781346 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FGAERO CCc1nccn1[C@H]1CCC[N@@H+]([C@@H]2CCCN(c3cccc(F)c3)C2=O)C1 ZINC000115543111 495514675 /nfs/dbraw/zinc/51/46/75/495514675.db2.gz ZVKADZNWKUFTME-RBUKOAKNSA-N 1 0 370.472 3.417 10 0 FGAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCc1ccc(Br)cc1 ZINC000107039615 495520642 /nfs/dbraw/zinc/52/06/42/495520642.db2.gz AKULFVZISXUVHK-KRWDZBQOSA-N 1 0 361.283 3.238 10 0 FGAERO Cc1cnn([C@H]2CCC[N@@H+](C[C@H](O)COc3ccccc3C(C)C)C2)c1 ZINC000107074423 495521822 /nfs/dbraw/zinc/52/18/22/495521822.db2.gz XUIBJTGJJLBYPV-OALUTQOASA-N 1 0 357.498 3.392 10 0 FGAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2cccc(OCc3cscn3)c2)C1 ZINC000107378325 495526521 /nfs/dbraw/zinc/52/65/21/495526521.db2.gz KAFDEFAIBKIHJF-OAHLLOKOSA-N 1 0 360.483 3.328 10 0 FGAERO CC[C@H](C)CN(C)C(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000173499071 495559615 /nfs/dbraw/zinc/55/96/15/495559615.db2.gz SJUIWHKZDQJAJI-FXAWDEMLSA-N 1 0 361.530 3.120 10 0 FGAERO CC[C@@H](NC(=O)N(C)C[C@H]1CCC[N@@H+]1CC)c1ccc2c(c1)OCCO2 ZINC000176253433 495565384 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c1c(CN2CC[N@@H+]3CCC[C@@H]3C2)c(-c2cccnc2)nn1Cc1ccccc1 ZINC000179549290 495636735 /nfs/dbraw/zinc/63/67/35/495636735.db2.gz HUGNVVMKABVUAM-JOCHJYFZSA-N 1 0 373.504 3.273 10 0 FGAERO Cc1nccn1C[C@@H]1CCCN1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176407818 495640299 /nfs/dbraw/zinc/64/02/99/495640299.db2.gz VEOQOBDNHFHCIC-FQEVSTJZSA-N 1 0 373.545 3.163 10 0 FGAERO COc1ccc2cc(CNC(=O)N[C@H]3C[N@@H+](C(C)C)C[C@@H]3C)ccc2c1 ZINC000150853386 495656220 /nfs/dbraw/zinc/65/62/20/495656220.db2.gz AKROZWSPEHJARO-YWZLYKJASA-N 1 0 355.482 3.376 10 0 FGAERO COc1ccc([C@H](C)C[NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 ZINC000182671728 495658151 /nfs/dbraw/zinc/65/81/51/495658151.db2.gz VTXWYJZACYUYFX-MJGOQNOKSA-N 1 0 352.478 3.437 10 0 FGAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2c(Cl)n(C)nc2C(C)C)C12CCOCC2 ZINC000185651690 495663352 /nfs/dbraw/zinc/66/33/52/495663352.db2.gz OTAWKAPOWYDTOL-HUUCEWRRSA-N 1 0 355.910 3.261 10 0 FGAERO O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CCC(c2cc[nH]n2)CC1 ZINC000176490746 495670241 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FGAERO COc1ccc([C@H](C)C[NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)cc1 ZINC000185855450 495751338 /nfs/dbraw/zinc/75/13/38/495751338.db2.gz UDOOGIWSVKWEHF-MRXNPFEDSA-N 1 0 374.506 3.128 10 0 FGAERO COc1ccc([C@@H](C)C[NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)cc1 ZINC000185855427 495751476 /nfs/dbraw/zinc/75/14/76/495751476.db2.gz UDOOGIWSVKWEHF-INIZCTEOSA-N 1 0 374.506 3.128 10 0 FGAERO CC(C)[C@@H](C(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1)[NH+]1CCCCC1 ZINC000154896197 495764932 /nfs/dbraw/zinc/76/49/32/495764932.db2.gz XLKKOISUJUVGQQ-FQEVSTJZSA-N 1 0 374.529 3.004 10 0 FGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(Br)s1 ZINC000174001097 495782379 /nfs/dbraw/zinc/78/23/79/495782379.db2.gz XSHQZZJZZNAHBT-VXGBXAGGSA-N 1 0 372.332 3.279 10 0 FGAERO COC(=O)C1CCC(C(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)CC1 ZINC000179955495 495798552 /nfs/dbraw/zinc/79/85/52/495798552.db2.gz ACHPEQWJQDMNMY-KKXNLOMOSA-N 1 0 372.509 3.089 10 0 FGAERO CC[C@@H](O)C[NH+]1CCN(CCCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000174093838 495818694 /nfs/dbraw/zinc/81/86/94/495818694.db2.gz OCUMCDNVNIPVMY-QGZVFWFLSA-N 1 0 374.447 3.253 10 0 FGAERO CCn1cnnc1[C@H]1CCC[N@H+](Cc2cccc(SC(=O)N(C)C)c2)C1 ZINC000176908381 495836560 /nfs/dbraw/zinc/83/65/60/495836560.db2.gz IXHXMEALZLTIGB-INIZCTEOSA-N 1 0 373.526 3.451 10 0 FGAERO CC1CC[NH+](C[C@H]2CCCN(C(=O)N[C@H]3COc4ccccc43)C2)CC1 ZINC000171360655 495837113 /nfs/dbraw/zinc/83/71/13/495837113.db2.gz JQIZVMPLBLQGEL-MJGOQNOKSA-N 1 0 357.498 3.274 10 0 FGAERO Cn1cc([C@H]2CCC[N@@H+]2C[C@H](O)COc2cccc3ccccc32)cn1 ZINC000171412712 495863967 /nfs/dbraw/zinc/86/39/67/495863967.db2.gz KSQLKDFAHCFESO-AZUAARDMSA-N 1 0 351.450 3.150 10 0 FGAERO C[C@H](c1ccc(Cl)cc1)[N@H+](C)CCC(=O)NC(=O)NCC(F)(F)F ZINC000177001282 495879115 /nfs/dbraw/zinc/87/91/15/495879115.db2.gz UHDFVFMFXIDIRR-SNVBAGLBSA-N 1 0 365.783 3.111 10 0 FGAERO CCc1nccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N2CCc3ccccc3C2)C1 ZINC000155229901 495883229 /nfs/dbraw/zinc/88/32/29/495883229.db2.gz ALSOASVHSYDUST-FXAWDEMLSA-N 1 0 366.509 3.056 10 0 FGAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc3c(cc2OC)C[C@H](C)O3)C12CCOCC2 ZINC000186234121 495907018 /nfs/dbraw/zinc/90/70/18/495907018.db2.gz NWEUELFWHIJUJN-VHKYSDTDSA-N 1 0 361.482 3.082 10 0 FGAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000186241799 495909857 /nfs/dbraw/zinc/90/98/57/495909857.db2.gz DLZAIGCEZZLEDF-VQTJNVASSA-N 1 0 372.896 3.413 10 0 FGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2ccccc2N2CCCCC2)C1 ZINC000183275555 495911343 /nfs/dbraw/zinc/91/13/43/495911343.db2.gz BOVUYONVKZHUCG-MJGOQNOKSA-N 1 0 358.530 3.205 10 0 FGAERO Cc1ccc([C@@H](C[NH2+][C@@H](C)c2cccc(CO)c2)N2CCOCC2)s1 ZINC000183293480 495918943 /nfs/dbraw/zinc/91/89/43/495918943.db2.gz RYZUPRGJZWYWKY-QFBILLFUSA-N 1 0 360.523 3.273 10 0 FGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC1(CCOC)CCCCC1 ZINC000186301452 495935991 /nfs/dbraw/zinc/93/59/91/495935991.db2.gz GQEHPCNRRDOHKK-ZWKOTPCHSA-N 1 0 351.535 3.242 10 0 FGAERO O=C(C[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccccc1)N1CCc2sccc2C1 ZINC000174389008 495937035 /nfs/dbraw/zinc/93/70/35/495937035.db2.gz PYXCFEJGDDEZGZ-RTBURBONSA-N 1 0 370.518 3.221 10 0 FGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H](C)CCc1ccc(OC)cc1 ZINC000174391239 495938638 /nfs/dbraw/zinc/93/86/38/495938638.db2.gz HCYZKDWJALUBOH-QXAKKESOSA-N 1 0 359.514 3.285 10 0 FGAERO C[C@H](CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C)COCc1ccccc1 ZINC000171612683 495948051 /nfs/dbraw/zinc/94/80/51/495948051.db2.gz WCJPCEODUMHZHR-WIYYLYMNSA-N 1 0 354.494 3.128 10 0 FGAERO CCn1cnnc1C1CC[NH+](Cc2cccc(C(=O)NCC(C)C)c2)CC1 ZINC000155427735 495953994 /nfs/dbraw/zinc/95/39/94/495953994.db2.gz YEJZULDZYXPWGG-UHFFFAOYSA-N 1 0 369.513 3.063 10 0 FGAERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3ccc4c(c3)COC(C)(C)O4)C2)n1 ZINC000186344555 495957434 /nfs/dbraw/zinc/95/74/34/495957434.db2.gz GKGZPEJXHMOEHD-GOSISDBHSA-N 1 0 370.497 3.452 10 0 FGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1csc(Cc2cccc(F)c2)n1 ZINC000180346736 495960032 /nfs/dbraw/zinc/96/00/32/495960032.db2.gz YZHNVHAUBKFXGK-MRXNPFEDSA-N 1 0 361.486 3.429 10 0 FGAERO CCO[C@H]1C[C@@H]([NH2+]Cc2cc(OC)nc3ccccc23)C12CCOCC2 ZINC000186362250 495964681 /nfs/dbraw/zinc/96/46/81/495964681.db2.gz OKPKIXWRIVBOBP-MOPGFXCFSA-N 1 0 356.466 3.307 10 0 FGAERO Cc1nccn1C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000177184888 495966626 /nfs/dbraw/zinc/96/66/26/495966626.db2.gz LKIRCRZZZQCUNK-LEWJYISDSA-N 1 0 366.509 3.095 10 0 FGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(OCc2nccn2C)cc1 ZINC000177184749 495966656 /nfs/dbraw/zinc/96/66/56/495966656.db2.gz DOPRKJZFMILNFQ-RBUKOAKNSA-N 1 0 354.498 3.058 10 0 FGAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(-n3cccn3)cc2)C12CCOCC2 ZINC000186367938 495968114 /nfs/dbraw/zinc/96/81/14/495968114.db2.gz FGHGZKLUFARKNQ-PWIZWCRZSA-N 1 0 355.482 3.497 10 0 FGAERO COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)c1 ZINC000171663025 495978410 /nfs/dbraw/zinc/97/84/10/495978410.db2.gz OAUYISSOZPCHDO-HNAYVOBHSA-N 1 0 356.466 3.054 10 0 FGAERO Brc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000151906962 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HAKPNMQVJCDLKL-QGZVFWFLSA-N 1 0 356.470 3.118 10 0 FGAERO Cc1ccc(C(=O)N2CC[C@H]([NH+](C)C)C2)cc1NC(=O)Nc1ccccc1 ZINC000132779344 494922892 /nfs/dbraw/zinc/92/28/92/494922892.db2.gz ZFIIWWLSHCUOGS-SFHVURJKSA-N 1 0 366.465 3.415 10 0 FGAERO Cn1cc(C[N@@H+]2CCCN(c3nc(-c4ccccc4)cs3)CC2)cn1 ZINC000127453104 494947067 /nfs/dbraw/zinc/94/70/67/494947067.db2.gz CMAJZPCLRWOPRR-UHFFFAOYSA-N 1 0 353.495 3.256 10 0 FGAERO CCCCCOc1cc(CN2CCO[C@H](Cn3cccn3)C2)ccc1OC ZINC000122260359 494948014 /nfs/dbraw/zinc/94/80/14/494948014.db2.gz UPKOLCWZOKKRFL-IBGZPJMESA-N 1 0 373.497 3.362 10 0 FGAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(Br)cc1F)CC2 ZINC000127873367 495011354 /nfs/dbraw/zinc/01/13/54/495011354.db2.gz FMRDBTRNWRVFFD-PWSUYJOCSA-N 1 0 367.266 3.408 10 0 FGAERO COc1cc(F)c2c(c1)[C@]([NH3+])(CCO)c1cc(Br)ccc1O2 ZINC000118743199 495030914 /nfs/dbraw/zinc/03/09/14/495030914.db2.gz KSWNYBFVOANZEB-INIZCTEOSA-N 1 0 368.202 3.287 10 0 FGAERO COc1ccc(C)cc1CCNC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 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352.360 3.138 10 0 FGAERO CC[C@H](Cc1ccccc1Br)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000133898178 495077212 /nfs/dbraw/zinc/07/72/12/495077212.db2.gz BKFBXQCGMYZCTG-UKRRQHHQSA-N 1 0 353.304 3.180 10 0 FGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cc(Cl)c(C)cc1Cl ZINC000119132711 495100675 /nfs/dbraw/zinc/10/06/75/495100675.db2.gz VNIHNQHZFILHMB-LBPRGKRZSA-N 1 0 372.296 3.183 10 0 FGAERO CCCOc1c(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)cccc1OCC ZINC000128484039 495103064 /nfs/dbraw/zinc/10/30/64/495103064.db2.gz QWXWUGRKWSAYFL-QGZVFWFLSA-N 1 0 358.486 3.378 10 0 FGAERO CCC[C@H](C(=O)N[C@H](C)c1noc(-c2ccc(Cl)cc2)n1)[NH+](C)C ZINC000134149816 495113235 /nfs/dbraw/zinc/11/32/35/495113235.db2.gz ZSGYHLQYKJZXHG-BXUZGUMPSA-N 1 0 350.850 3.298 10 0 FGAERO c1ncn(C[C@H]2CCC[N@@H+](Cc3ccccc3OCc3ccccn3)C2)n1 ZINC000128617881 495125449 /nfs/dbraw/zinc/12/54/49/495125449.db2.gz SGFHHBOBLWUSAF-SFHVURJKSA-N 1 0 363.465 3.164 10 0 FGAERO CC(C)c1nc(CCNC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)cs1 ZINC000102549956 495141125 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FGAERO Cc1cnn(CC[NH2+][C@H](C)CC(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000124112616 495235270 /nfs/dbraw/zinc/23/52/70/495235270.db2.gz AEBPSFIIMOMQAM-CYBMUJFWSA-N 1 0 354.376 3.217 10 0 FGAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2nnc(-c3cccc(Cl)c3)s2)C1 ZINC000129516959 495256709 /nfs/dbraw/zinc/25/67/09/495256709.db2.gz CJJWGHRKYJRVCI-GFCCVEGCSA-N 1 0 351.863 3.026 10 0 FGAERO Cc1ccc(C[NH2+][C@H]2CCCN(c3cccnn3)C2)cc1Br ZINC000119997520 495285331 /nfs/dbraw/zinc/28/53/31/495285331.db2.gz UUSRMSOTDFTBNP-HNNXBMFYSA-N 1 0 361.287 3.306 10 0 FGAERO COc1ccc(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c(Br)c1OC ZINC000113270174 495291533 /nfs/dbraw/zinc/29/15/33/495291533.db2.gz ZWOBNASBGKYNJC-GXTWGEPZSA-N 1 0 369.303 3.135 10 0 FGAERO CC[N@@H+]1CCC[C@H](NCc2csc(COc3ccc(OC)cc3)n2)C1 ZINC000113326604 495296363 /nfs/dbraw/zinc/29/63/63/495296363.db2.gz XGWZJSXTRDVMTR-HNNXBMFYSA-N 1 0 361.511 3.305 10 0 FGAERO Cc1cccc(NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c1C(=O)N1CCCC1 ZINC000120071907 495300994 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C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)Nc2ccc3ccccc3c2)CC1 ZINC000181117548 496276927 /nfs/dbraw/zinc/27/69/27/496276927.db2.gz UWZJTPHSQJAWLG-MRXNPFEDSA-N 1 0 355.482 3.396 10 0 FGAERO O[C@H](Cc1ccccc1C(F)(F)F)C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000152881608 496284827 /nfs/dbraw/zinc/28/48/27/496284827.db2.gz ZHRNTWBFIOLHBS-OAHLLOKOSA-N 1 0 353.388 3.212 10 0 FGAERO Cn1cc([C@H]2CCC[N@@H+]2C[C@H](O)Cc2ccccc2C(F)(F)F)cn1 ZINC000152925831 496298176 /nfs/dbraw/zinc/29/81/76/496298176.db2.gz BRXCENRDDRKZHG-NVXWUHKLSA-N 1 0 353.388 3.179 10 0 FGAERO CC[C@@H]1CN(C(=O)Nc2ccc(C)c(-c3ncco3)c2)CC[N@@H+]1CCOC ZINC000162122329 496299430 /nfs/dbraw/zinc/29/94/30/496299430.db2.gz PVNWOTBPQJJCNJ-QGZVFWFLSA-N 1 0 372.469 3.225 10 0 FGAERO Brc1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H]2O3)cc2c1OCCCO2 ZINC000152940115 496301261 /nfs/dbraw/zinc/30/12/61/496301261.db2.gz NXAJHLNJDHIJAN-XBFCOCLRSA-N 1 0 354.244 3.020 10 0 FGAERO O[C@H](C[NH+]1CCC(Cn2cccn2)CC1)c1ccccc1Br ZINC000152956369 496307187 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FGAERO CCn1cc(C2CC[NH+](CC(=O)N3c4ccccc4C[C@H]3C)CC2)cn1 ZINC000195500712 496941207 /nfs/dbraw/zinc/94/12/07/496941207.db2.gz WAOLSBFQVIXPMR-MRXNPFEDSA-N 1 0 352.482 3.060 10 0 FGAERO Cn1nccc1C1CC[NH+](CC(=O)N(Cc2ccccc2)C(C)(C)C)CC1 ZINC000195502643 496941343 /nfs/dbraw/zinc/94/13/43/496941343.db2.gz PRMSLWKKYOQFMH-UHFFFAOYSA-N 1 0 368.525 3.427 10 0 FGAERO C/C=C/c1ccc(OC[C@H](O)C[NH+]2CCC(c3cc[nH]n3)CC2)c(OC)c1 ZINC000195507105 496945115 /nfs/dbraw/zinc/94/51/15/496945115.db2.gz ULIQAOJGQJMVDP-OAJJDEHYSA-N 1 0 371.481 3.071 10 0 FGAERO Cn1nccc1C1CC[NH+](C[C@@H](O)CO[C@@H]2CCCc3ccccc32)CC1 ZINC000195512782 496947585 /nfs/dbraw/zinc/94/75/85/496947585.db2.gz VPVGWLNFLDVBCW-DENIHFKCSA-N 1 0 369.509 3.055 10 0 FGAERO O=C1Nc2ccccc2C12CC[NH+](Cc1cncn1Cc1ccccc1)CC2 ZINC000203143538 496973293 /nfs/dbraw/zinc/97/32/93/496973293.db2.gz GRVSOKVLEODBMW-UHFFFAOYSA-N 1 0 372.472 3.417 10 0 FGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cnc2ccc(Br)cn12 ZINC000248404797 496998830 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/nfs/dbraw/zinc/15/77/73/497157773.db2.gz YXFMEMCCXYVEAK-YZGWKJHDSA-N 1 0 362.514 3.289 10 0 FGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cc(F)cc(F)c1Br ZINC000249100743 497166762 /nfs/dbraw/zinc/16/67/62/497166762.db2.gz PLTAXGKONGCJCB-ONGXEEELSA-N 1 0 374.229 3.428 10 0 FGAERO CCN(C(=O)[C@H](C)[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1)c1ccccc1 ZINC000249527450 497217354 /nfs/dbraw/zinc/21/73/54/497217354.db2.gz AHIOSFOHWXCWIG-IEZWGBDMSA-N 1 0 358.507 3.197 10 0 FGAERO OC[C@@H]1C[N@H+](Cc2cc(Cl)c3c(c2)OCCO3)C[C@H]1c1ccsc1 ZINC000249556655 497222119 /nfs/dbraw/zinc/22/21/19/497222119.db2.gz JZILRGXYPIJQQO-GJZGRUSLSA-N 1 0 365.882 3.381 10 0 FGAERO CCN(C)c1ccc(C[NH2+]C[C@@H](c2cccs2)N2CCO[C@@H](C)C2)cn1 ZINC000249628123 497229035 /nfs/dbraw/zinc/22/90/35/497229035.db2.gz QYVUOYSIIVKZGZ-WMZOPIPTSA-N 1 0 374.554 3.151 10 0 FGAERO COc1ccc([C@@H]2CCC[N@@H+]2C[C@@H](O)COCc2ccccc2)cc1OC ZINC000249708987 497234317 /nfs/dbraw/zinc/23/43/17/497234317.db2.gz CKHGFQUXLUZTJV-UXHICEINSA-N 1 0 371.477 3.418 10 0 FGAERO CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H](C)c2ccc(Br)cc2)C1 ZINC000249766685 497245037 /nfs/dbraw/zinc/24/50/37/497245037.db2.gz PEJBADFCFLAHHE-IUODEOHRSA-N 1 0 354.292 3.294 10 0 FGAERO Cc1cc(Br)ccc1SCC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000237572307 497257231 /nfs/dbraw/zinc/25/72/31/497257231.db2.gz IGSYMPHGDUHZFL-CYBMUJFWSA-N 1 0 357.317 3.189 10 0 FGAERO [NH3+][C@H]1CC[C@@H](C(=O)Nc2ccnn2Cc2cccc(Cl)c2Cl)C1 ZINC000237878543 497306301 /nfs/dbraw/zinc/30/63/01/497306301.db2.gz MVPUFXZECZVSDC-PWSUYJOCSA-N 1 0 353.253 3.304 10 0 FGAERO [NH3+][C@@H]1CCC[C@H](C(=O)N(Cc2cccc(Br)c2)C2CC2)C1 ZINC000237888360 497307917 /nfs/dbraw/zinc/30/79/17/497307917.db2.gz NDXCYMOQROQMIM-DZGCQCFKSA-N 1 0 351.288 3.458 10 0 FGAERO [NH3+][C@H]1CCC[C@@H](C(=O)Nc2cccc(OCc3cn4ccccc4n3)c2)C1 ZINC000237910142 497312614 /nfs/dbraw/zinc/31/26/14/497312614.db2.gz HPUWNXIPIOGPFX-CVEARBPZSA-N 1 0 364.449 3.369 10 0 FGAERO [NH3+][C@@H]1CCC[C@H](C(=O)Nc2ncc(Cc3ccc(F)cc3F)s2)C1 ZINC000237909105 497313025 /nfs/dbraw/zinc/31/30/25/497313025.db2.gz WURARJBNIMLZIY-WCQYABFASA-N 1 0 351.422 3.468 10 0 FGAERO CCc1c(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cnn1-c1ccccc1Cl ZINC000253275620 497324761 /nfs/dbraw/zinc/32/47/61/497324761.db2.gz IMYSFKJMKOPIKR-HUUCEWRRSA-N 1 0 372.900 3.397 10 0 FGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000253542863 497337781 /nfs/dbraw/zinc/33/77/81/497337781.db2.gz MUBBHAYYFKFXMP-OLZOCXBDSA-N 1 0 370.478 3.325 10 0 FGAERO C[C@@H]1C[N@H+](C[C@@H](O)COC(c2ccccc2)c2ccccc2)CCCO1 ZINC000245399567 497385455 /nfs/dbraw/zinc/38/54/55/497385455.db2.gz ANBIWCBUQUDKMZ-WIYYLYMNSA-N 1 0 355.478 3.264 10 0 FGAERO Cc1cc(C)c(C[NH+]2CCC3(CC[C@@H](CN4CCOCC4)O3)CC2)c(C)c1 ZINC000257191822 497388357 /nfs/dbraw/zinc/38/83/57/497388357.db2.gz RLDPJKAOIBRKOX-NRFANRHFSA-N 1 0 372.553 3.458 10 0 FGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cccc(NC(=O)C2CC2)c1 ZINC000245423402 497398664 /nfs/dbraw/zinc/39/86/64/497398664.db2.gz BHGQVVAPYOTESI-ROUUACIJSA-N 1 0 356.470 3.126 10 0 FGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CS[C@H](C)c1nc2ccccc2[nH]1 ZINC000245430037 497400542 /nfs/dbraw/zinc/40/05/42/497400542.db2.gz LJXLCEAVDPSIFC-CABCVRRESA-N 1 0 360.527 3.300 10 0 FGAERO CCOc1cc2c(cc1NC(=O)N(C)C[C@@H]1CCC[N@@H+]1CC)O[C@H](C)C2 ZINC000245430757 497402382 /nfs/dbraw/zinc/40/23/82/497402382.db2.gz MEOGFVKKTVSJTG-ZBFHGGJFSA-N 1 0 361.486 3.357 10 0 FGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCc1ccccc1OC(F)F ZINC000190250516 497413668 /nfs/dbraw/zinc/41/36/68/497413668.db2.gz VKRJTQRLADKLFM-JKSUJKDBSA-N 1 0 367.440 3.099 10 0 FGAERO CC(C)c1cccc(OCC(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1 ZINC000261611847 497418705 /nfs/dbraw/zinc/41/87/05/497418705.db2.gz BZVSPQXPLWIVJT-CTNGQTDRSA-N 1 0 352.478 3.390 10 0 FGAERO OC[C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccccc2F)C[C@H]1c1ccsc1 ZINC000190286502 497424984 /nfs/dbraw/zinc/42/49/84/497424984.db2.gz DKPUFOPRHBMYEK-RDJZCZTQSA-N 1 0 357.454 3.485 10 0 FGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCCc1ccc(OC)cc1OC ZINC000245521222 497438073 /nfs/dbraw/zinc/43/80/73/497438073.db2.gz CAGNOKGWCOKLED-MSOLQXFVSA-N 1 0 360.498 3.112 10 0 FGAERO C[C@@H](NC(=O)C1([NH3+])CCOCC1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000261825872 497457735 /nfs/dbraw/zinc/45/77/35/497457735.db2.gz KQGQJQFDWIJNJZ-OAHLLOKOSA-N 1 0 372.440 3.090 10 0 FGAERO [NH3+]CC1(C(=O)Nc2ccc(OCc3ccccc3F)cc2)CCOCC1 ZINC000261947827 497481221 /nfs/dbraw/zinc/48/12/21/497481221.db2.gz NVPQKOSMAYHOFU-UHFFFAOYSA-N 1 0 358.413 3.099 10 0 FGAERO Clc1ccc2sc(CC[NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCCN3)nc2c1 ZINC000261974338 497486009 /nfs/dbraw/zinc/48/60/09/497486009.db2.gz QWOBQMYDMIGSFK-LZWOXQAQSA-N 1 0 365.930 3.239 10 0 FGAERO Cc1sc(NC(=O)C2(C[NH3+])CCOCC2)nc1-c1ccc2c(c1)CCC2 ZINC000261985769 497487443 /nfs/dbraw/zinc/48/74/43/497487443.db2.gz SDGDVGFRYBZTCL-UHFFFAOYSA-N 1 0 371.506 3.301 10 0 FGAERO [NH3+]C[C@H]1CCCN1Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000262040347 497497787 /nfs/dbraw/zinc/49/77/87/497497787.db2.gz YFEIRQXURNOQOC-SNVBAGLBSA-N 1 0 353.182 3.271 10 0 FGAERO COCc1ccccc1NC(=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190495102 497503495 /nfs/dbraw/zinc/50/34/95/497503495.db2.gz BRVBEGUVNGVCIU-GOSISDBHSA-N 1 0 368.481 3.214 10 0 FGAERO CN(CC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2nc3ccccc3[nH]2)CC1 ZINC000190495872 497504371 /nfs/dbraw/zinc/50/43/71/497504371.db2.gz UFSGOOUGVYFTBG-INIZCTEOSA-N 1 0 372.513 3.191 10 0 FGAERO [NH3+]C[C@@H]1CN(Cc2ccn(-c3ccc(F)cc3F)n2)C[C@H]1c1ccccc1 ZINC000262124883 497511580 /nfs/dbraw/zinc/51/15/80/497511580.db2.gz MWEPXMUVNVKYCW-APWZRJJASA-N 1 0 368.431 3.325 10 0 FGAERO C[C@@H]1CN(Cc2cn(Cc3ccccc3)nc2-c2cccs2)C[C@@H]1[NH3+] ZINC000262131808 497513486 /nfs/dbraw/zinc/51/34/86/497513486.db2.gz YGBIQOPGVJEKCA-QAPCUYQASA-N 1 0 352.507 3.439 10 0 FGAERO CC(C)n1ccc(C[N@@H+]2CCC[C@H](N(C)CC(=O)OC(C)(C)C)CC2)n1 ZINC000190517613 497513535 /nfs/dbraw/zinc/51/35/35/497513535.db2.gz OMRIOMMLKHMMOK-SFHVURJKSA-N 1 0 364.534 3.092 10 0 FGAERO C[C@@H]([NH2+][C@@H](C)c1nnc2ccccn21)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000279713453 497518143 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CCOc1ccccc1NC(=O)[C@@H](C)N1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000245877593 497557831 /nfs/dbraw/zinc/55/78/31/497557831.db2.gz ZGXSMSBUYQUJEW-ZBFHGGJFSA-N 1 0 372.469 3.058 10 0 FGAERO COc1ccc(C)cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000245900871 497564152 /nfs/dbraw/zinc/56/41/52/497564152.db2.gz AWGOAFAQWGHZTP-WBVHZDCISA-N 1 0 356.470 3.000 10 0 FGAERO C[C@@H](O)C[N@H+](C[C@@H](O)COCc1ccc(Cl)cc1)C1CCCCC1 ZINC000245906727 497566958 /nfs/dbraw/zinc/56/69/58/497566958.db2.gz NHGPXDVXHNWUNX-DNVCBOLYSA-N 1 0 355.906 3.233 10 0 FGAERO C[C@@H]([NH2+]C[C@H](c1cccs1)N1CCO[C@H](C)C1)c1cccc(CO)c1 ZINC000245915466 497570041 /nfs/dbraw/zinc/57/00/41/497570041.db2.gz PYRQGUNAPFDRBZ-GPMSIDNRSA-N 1 0 360.523 3.353 10 0 FGAERO Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(C(=O)NCCCC(C)C)C1 ZINC000190691749 497574605 /nfs/dbraw/zinc/57/46/05/497574605.db2.gz UFLRZAYKIVXYNU-MRXNPFEDSA-N 1 0 352.548 3.351 10 0 FGAERO Cc1noc(C)c1COc1ccccc1C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000262605652 497582089 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3.288 10 0 FGAERO CCC(CC)[C@@H]1C[C@H](NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2CC)CCO1 ZINC000246067471 497609471 /nfs/dbraw/zinc/60/94/71/497609471.db2.gz ZRGRSJKSKKNLKT-YRXWBPOGSA-N 1 0 351.535 3.238 10 0 FGAERO CC(C)n1ncc2c1nc(-c1ccco1)cc2C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000262730717 497610590 /nfs/dbraw/zinc/61/05/90/497610590.db2.gz BIEOOLITXFWDKL-XJKSGUPXSA-N 1 0 367.453 3.143 10 0 FGAERO Cc1cccc(C2(NC(=O)c3ccn([C@@H]4CCC[NH2+]C4)n3)CCCC2)c1 ZINC000262746583 497613559 /nfs/dbraw/zinc/61/35/59/497613559.db2.gz JMOTYLDPJIEOCM-GOSISDBHSA-N 1 0 352.482 3.315 10 0 FGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccccc1OCC(F)F ZINC000246100201 497622006 /nfs/dbraw/zinc/62/20/06/497622006.db2.gz XZMLUECMLZZNCB-KBPBESRZSA-N 1 0 353.413 3.421 10 0 FGAERO Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N[C@@H]3CCC[NH2+][C@@H]3C)c12 ZINC000262812954 497627582 /nfs/dbraw/zinc/62/75/82/497627582.db2.gz RGSHXSFOXCHBTQ-MLGOLLRUSA-N 1 0 369.513 3.242 10 0 FGAERO Cc1csc([C@@H]2CN(C(=O)NCCC[NH+](C(C)C)C(C)C)CCO2)n1 ZINC000194293954 497627717 /nfs/dbraw/zinc/62/77/17/497627717.db2.gz UWMHRILPTVPZHR-INIZCTEOSA-N 1 0 368.547 3.043 10 0 FGAERO Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](CNc3ccccn3)C2)c1 ZINC000246118312 497627870 /nfs/dbraw/zinc/62/78/70/497627870.db2.gz KQWARINPPCTRPU-ROUUACIJSA-N 1 0 352.482 3.459 10 0 FGAERO CCC(C)(C)c1ccc(CNC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)cc1 ZINC000262835887 497633734 /nfs/dbraw/zinc/63/37/34/497633734.db2.gz SNMRTTVBQGEFLY-SFHVURJKSA-N 1 0 354.498 3.425 10 0 FGAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)Nc2cccc(OCC(F)(F)F)c2)C1 ZINC000246295281 497687527 /nfs/dbraw/zinc/68/75/27/497687527.db2.gz CSEYVKBEYLHDRO-SWLSCSKDSA-N 1 0 359.392 3.478 10 0 FGAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Nc2cccc(OCC(F)(F)F)c2)C1 ZINC000246295270 497687574 /nfs/dbraw/zinc/68/75/74/497687574.db2.gz CSEYVKBEYLHDRO-IUODEOHRSA-N 1 0 359.392 3.478 10 0 FGAERO Cc1nc(-c2ccc(C)cc2C)sc1-c1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263167212 497721735 /nfs/dbraw/zinc/72/17/35/497721735.db2.gz FIESATNQHRMAEB-HNNXBMFYSA-N 1 0 369.494 3.361 10 0 FGAERO CC[N@@H+]1CCC[C@@H](NC(=O)Cc2ccc(OCc3c(C)noc3C)cc2)C1 ZINC000194628354 497722443 /nfs/dbraw/zinc/72/24/43/497722443.db2.gz KUKSNGGKRDWFSD-GOSISDBHSA-N 1 0 371.481 3.013 10 0 FGAERO COc1ccc(-c2cncc(C(=O)N[C@@H]3C[N@@H+](C(C)C)C[C@@H]3C)c2)cc1 ZINC000246406438 497723426 /nfs/dbraw/zinc/72/34/26/497723426.db2.gz AUEUDROCWISAIV-MGPUTAFESA-N 1 0 353.466 3.216 10 0 FGAERO CN1CC[NH2+]C[C@H]1c1noc(CSCc2ccc(Cl)cc2Cl)n1 ZINC000263189002 497727863 /nfs/dbraw/zinc/72/78/63/497727863.db2.gz HQRLYSPCVGETJG-ZDUSSCGKSA-N 1 0 373.309 3.386 10 0 FGAERO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000246428467 497731443 /nfs/dbraw/zinc/73/14/43/497731443.db2.gz LBLPWWGMLLHMKY-BJLQDIEVSA-N 1 0 373.541 3.098 10 0 FGAERO CCOCCOCc1cccc(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)c1 ZINC000246437446 497734560 /nfs/dbraw/zinc/73/45/60/497734560.db2.gz NQBWWBDJICBREW-APWZRJJASA-N 1 0 363.502 3.090 10 0 FGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cc2c(cc1Cl)OCCCO2 ZINC000246465882 497743229 /nfs/dbraw/zinc/74/32/29/497743229.db2.gz OGMXMEFSDVHUOW-STQMWFEESA-N 1 0 365.861 3.202 10 0 FGAERO CN1CC[NH2+]C[C@H]1c1noc(/C=C/c2cc(C(F)(F)F)ccc2Cl)n1 ZINC000263309657 497755161 /nfs/dbraw/zinc/75/51/61/497755161.db2.gz YJZCCXAVCBCSRJ-NDRDAGNVSA-N 1 0 372.778 3.488 10 0 FGAERO C[C@@H]1OCCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000191270883 497763969 /nfs/dbraw/zinc/76/39/69/497763969.db2.gz GHVPJWHHOFOONI-KSSFIOAISA-N 1 0 350.890 3.236 10 0 FGAERO Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000246604565 497787143 /nfs/dbraw/zinc/78/71/43/497787143.db2.gz ZTUUKPJBLUOXEM-VQIMIIECSA-N 1 0 372.513 3.081 10 0 FGAERO C[C@@H](CNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc2c(c1)OCCO2)c1ccccc1 ZINC000246646095 497793650 /nfs/dbraw/zinc/79/36/50/497793650.db2.gz FYMMKOPNLICGSN-BBWFWOEESA-N 1 0 368.477 3.417 10 0 FGAERO CC[N@H+](CC(=O)[O-])C1CC([NH2+]C[C@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000263534161 497796978 /nfs/dbraw/zinc/79/69/78/497796978.db2.gz YFYMTMQSPCFMKN-JQRITLKVSA-N 1 0 358.404 3.336 10 0 FGAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000246717397 497803210 /nfs/dbraw/zinc/80/32/10/497803210.db2.gz AAANLSIXGRSLCF-CXAGYDPISA-N 1 0 361.873 3.382 10 0 FGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc2c(C(C)C)nn(C)c2s1 ZINC000246828891 497814401 /nfs/dbraw/zinc/81/44/01/497814401.db2.gz ANROHXIJSLDLDF-KBPBESRZSA-N 1 0 360.527 3.457 10 0 FGAERO CCO[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)COCc2cccs2)C12CCCC2 ZINC000246857850 497817110 /nfs/dbraw/zinc/81/71/10/497817110.db2.gz PMEBSNDJMIDAGT-BPQIPLTHSA-N 1 0 353.528 3.295 10 0 FGAERO O[C@H](Cc1ccccc1C(F)(F)F)C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000246915746 497820203 /nfs/dbraw/zinc/82/02/03/497820203.db2.gz YGGKSHBUFHFSCA-NUJGCVRESA-N 1 0 357.416 3.236 10 0 FGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCC(=O)Nc1ccccc1C(F)(F)F ZINC000246927920 497820729 /nfs/dbraw/zinc/82/07/29/497820729.db2.gz NDVSKQOSIYITJX-KGLIPLIRSA-N 1 0 355.404 3.203 10 0 FGAERO COc1cc([C@@H]([NH3+])CCF)c(Br)c(Br)c1O ZINC000575439801 505976589 /nfs/dbraw/zinc/97/65/89/505976589.db2.gz WASIFGCHDCQOEM-LURJTMIESA-N 1 0 357.017 3.285 10 0 FGAERO CN(CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)c1ncncc1Cl ZINC000302652121 498524406 /nfs/dbraw/zinc/52/44/06/498524406.db2.gz NHZAHBGMPUPNLH-SFHVURJKSA-N 1 0 360.889 3.012 10 0 FGAERO CN(C)c1cc(C[N@H+](C)C[C@H]2CCc3nc(C(F)(F)F)cn3C2)ccn1 ZINC000328652719 498889635 /nfs/dbraw/zinc/88/96/35/498889635.db2.gz WQSVUJOZRSZGHU-CQSZACIVSA-N 1 0 367.419 3.057 10 0 FGAERO CC(=O)NCc1cc2n(n1)CCN(Cc1cccc(-c3ccc(C)o3)c1)C2 ZINC000082137527 519674660 /nfs/dbraw/zinc/67/46/60/519674660.db2.gz SGWPBRJZUUMROZ-UHFFFAOYSA-N 1 0 364.449 3.103 10 0 FGAERO CCCCOc1ccccc1C[NH2+][C@@H]1CCCN(c2ncc[nH]c2=O)C1 ZINC000275607007 520911818 /nfs/dbraw/zinc/91/18/18/520911818.db2.gz QTCVIRYBHCQDMB-QGZVFWFLSA-N 1 0 356.470 3.120 10 0 FGAERO COCc1cn(CC2CC[NH+](Cc3c(C)[nH]c4ccccc43)CC2)nn1 ZINC000020537780 523143966 /nfs/dbraw/zinc/14/39/66/523143966.db2.gz ZBONGJYBSUBURQ-UHFFFAOYSA-N 1 0 353.470 3.126 10 0 FGAERO Cn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1cc(F)ccc1Br ZINC000275625128 527471019 /nfs/dbraw/zinc/47/10/19/527471019.db2.gz RYQKRDLAXAHKAP-GJZGRUSLSA-N 1 0 368.250 3.332 10 0 FGAERO COc1ccc([C@H](C)NC(=O)C2CCC([NH3+])CC2)cc1Br ZINC000037630479 695755257 /nfs/dbraw/zinc/75/52/57/695755257.db2.gz CFRGDVOVMOILTB-ZBOXLXRLSA-N 1 0 355.276 3.152 10 0 FGAERO O=S(=O)(/C=C/c1ccccc1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000047032956 695850377 /nfs/dbraw/zinc/85/03/77/695850377.db2.gz AABZTEIEMGOPTO-MQMQVCBVSA-N 1 0 356.491 3.414 10 0 FGAERO CCC(CC)[C@H](CNC(=O)N[C@@H](C)c1cccs1)[NH+]1CCOCC1 ZINC000047977194 695871582 /nfs/dbraw/zinc/87/15/82/695871582.db2.gz ZAWXGMFIQCCAOY-HOCLYGCPSA-N 1 0 353.532 3.245 10 0 FGAERO Cc1ccc(Cl)cc1NC(=O)C(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000049380101 695894501 /nfs/dbraw/zinc/89/45/01/695894501.db2.gz VEIOWLMUAMARER-KRWDZBQOSA-N 1 0 359.857 3.006 10 0 FGAERO CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@H](O)c1c(Cl)cccc1Cl ZINC000077773985 700265008 /nfs/dbraw/zinc/26/50/08/700265008.db2.gz JYENQVHYKJUMBI-FZMZJTMJSA-N 1 0 362.301 3.056 10 0 FGAERO C[C@H](CN1CCCCC1)[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000105784192 700505061 /nfs/dbraw/zinc/50/50/61/700505061.db2.gz LOMUGLKTTTZSRJ-FGTMMUONSA-N 1 0 353.551 3.486 10 0 FGAERO C[C@@H]([NH2+]CCN(C)C1CCCC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000105784924 700505295 /nfs/dbraw/zinc/50/52/95/700505295.db2.gz BLKYQLOUDOBMOV-SJORKVTESA-N 1 0 353.551 3.486 10 0 FGAERO Cc1cccc(C(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)c1Cl ZINC000132726273 700830625 /nfs/dbraw/zinc/83/06/25/700830625.db2.gz HEUIXGUXVUFNMT-SFHVURJKSA-N 1 0 358.869 3.140 10 0 FGAERO CC[C@@H]1CCc2c(sc(=O)n2CN2CCC[C@H](n3cc(C)cn3)C2)C1 ZINC000152950189 704979613 /nfs/dbraw/zinc/97/96/13/704979613.db2.gz YGDXYDFXNBYAQY-CVEARBPZSA-N 1 0 360.527 3.224 10 0 FGAERO Nc1cc(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)cc(Cl)n1 ZINC000171206073 705379081 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CC(C)C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000193800317 713499823 /nfs/dbraw/zinc/49/98/23/713499823.db2.gz GWPUCFFMBHTICS-ZDUSSCGKSA-N 1 0 373.469 3.032 10 0 FGAERO C[C@H]([NH2+]CC(=O)NCc1cccc(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000194031228 713508190 /nfs/dbraw/zinc/50/81/90/713508190.db2.gz OFNPFLURKMOBBC-ZDUSSCGKSA-N 1 0 360.841 3.078 10 0 FGAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2sc3cccc(F)c3c2COC)C1 ZINC000194638226 713529229 /nfs/dbraw/zinc/52/92/29/713529229.db2.gz MAUZIYQFVGHKRO-GFCCVEGCSA-N 1 0 350.459 3.401 10 0 FGAERO CC[C@@H]1CN(C(=O)N[C@@H](C)c2ccc(F)c(Cl)c2)CC[N@@H+]1C[C@H](C)O ZINC000248453450 713650994 /nfs/dbraw/zinc/65/09/94/713650994.db2.gz LFNOFZJGJJMILT-KCQAQPDRSA-N 1 0 371.884 3.027 10 0 FGAERO Cc1nc(C)c(C[N@@H+]2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)s1 ZINC000248590506 713654229 /nfs/dbraw/zinc/65/42/29/713654229.db2.gz KUPHKYXKDYEFAJ-SOUVJXGZSA-N 1 0 351.516 3.495 10 0 FGAERO Cc1c(Cl)cnn1CN1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000248649577 713655730 /nfs/dbraw/zinc/65/57/30/713655730.db2.gz UMQTYIYZXJLTAY-KCQAQPDRSA-N 1 0 354.882 3.038 10 0 FGAERO CC[C@H]([NH2+]C[C@@]1(O)CCSC1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000249100552 713663815 /nfs/dbraw/zinc/66/38/15/713663815.db2.gz WEFFSVCWGQGVCL-DAYGRLMNSA-N 1 0 358.548 3.012 10 0 FGAERO C[NH+](C)CCN(Cc1cccs1)S(=O)(=O)/C=C\c1ccccc1 ZINC000255615872 713701684 /nfs/dbraw/zinc/70/16/84/713701684.db2.gz NTKOKNHPRHBSCY-UVTDQMKNSA-N 1 0 350.509 3.112 10 0 FGAERO FC(F)(F)c1cc(Br)cnc1N1CC[C@]2(CC[NH2+]C2)C1 ZINC000261664905 713712522 /nfs/dbraw/zinc/71/25/22/713712522.db2.gz FKEZQJWCLKROFH-LBPRGKRZSA-N 1 0 350.182 3.053 10 0 FGAERO Brc1cccc(-c2noc(-c3ccn([C@@H]4CCC[NH2+]C4)n3)n2)c1 ZINC000261867362 713715391 /nfs/dbraw/zinc/71/53/91/713715391.db2.gz UXDSVPODRONXDJ-CYBMUJFWSA-N 1 0 374.242 3.287 10 0 FGAERO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000310512081 713799243 /nfs/dbraw/zinc/79/92/43/713799243.db2.gz OHZRRIYLDQLWBU-OBVSXPTNSA-N 1 0 352.519 3.448 10 0 FGAERO C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1CCCC[C@H]1c1nccs1 ZINC000638096465 717407527 /nfs/dbraw/zinc/40/75/27/717407527.db2.gz NVEVSMUJOZPRJR-BHYGNILZSA-N 1 0 359.495 3.129 10 0 FGAERO CC(C)(C)OC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C(C)(C)C)s2)[C@H](O)C1 ZINC000702769794 722410858 /nfs/dbraw/zinc/41/08/58/722410858.db2.gz OSZYSWXSDFXYEA-UKRRQHHQSA-N 1 0 368.543 3.363 10 0 FGAERO CCCn1cc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)nn1 ZINC000715874254 722416429 /nfs/dbraw/zinc/41/64/29/722416429.db2.gz DXHKBGSFWXYLER-RRFJBIMHSA-N 1 0 351.495 3.032 10 0 FGAERO COc1cc2c(cc1OC)C1=C[C@H]3C=CC(OC)=C(OC)[C@H]3C=[N+]1CC2 ZINC000100037190 209207753 /nfs/dbraw/zinc/20/77/53/209207753.db2.gz XXPJAVJXRGUFCB-CJNGLKHVSA-N 1 0 354.426 3.004 10 0 FGAERO O[C@H](COCc1ccccc1)C[N@@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000036096996 207264095 /nfs/dbraw/zinc/26/40/95/207264095.db2.gz WUYTUFXGKRMFFI-VXKWHMMOSA-N 1 0 355.478 3.245 10 0 FGAERO O=C(c1cn([C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)nn1)N1CCCC1 ZINC000011966446 207333362 /nfs/dbraw/zinc/33/33/62/207333362.db2.gz XEJSGNOGNJVQNP-MRXNPFEDSA-N 1 0 373.888 3.005 10 0 FGAERO CCN1CCC([N@@H+]2CC[C@@]3(C2)CCCN(CCc2ccccc2)C3=O)CC1 ZINC000012430688 207373812 /nfs/dbraw/zinc/37/38/12/207373812.db2.gz NWLNORLLVQVYJP-HSZRJFAPSA-N 1 0 369.553 3.028 10 0 FGAERO C[C@@H](CNC(=O)c1ccco1)Oc1cccc(C[NH+]2CCSCC2)c1 ZINC000012451490 207378451 /nfs/dbraw/zinc/37/84/51/207378451.db2.gz LAWCIBDYPDCTOJ-HNNXBMFYSA-N 1 0 360.479 3.026 10 0 FGAERO Cc1ccc(C[N@H+](C[C@H](O)COc2ccccc2)C[C@@H]2CCCO2)s1 ZINC000036101590 208145174 /nfs/dbraw/zinc/14/51/74/208145174.db2.gz WECPZRSPQXRKQH-HKUYNNGSSA-N 1 0 361.507 3.477 10 0 FGAERO COc1ccc(-c2nc(-c3ccncc3)cc(N3CCC[NH2+]CC3)n2)cc1 ZINC000073663372 208188460 /nfs/dbraw/zinc/18/84/60/208188460.db2.gz SLDOORSOTDMUPJ-UHFFFAOYSA-N 1 0 361.449 3.014 10 0 FGAERO COc1cc(C(=O)N2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)ccc1Cl ZINC000190582811 257369404 /nfs/dbraw/zinc/36/94/04/257369404.db2.gz LVISMUMOUSNFLR-MRXNPFEDSA-N 1 0 373.884 3.338 10 0 FGAERO CCc1cc(NC2CCN(c3cc(OC)cc(OC)c3)CC2)nc(C)n1 ZINC000302074407 257383534 /nfs/dbraw/zinc/38/35/34/257383534.db2.gz GIVFWACUIPLUEF-UHFFFAOYSA-N 1 0 356.470 3.446 10 0 FGAERO CC(C)Oc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(N)c2)cc1 ZINC000226263794 132374668 /nfs/dbraw/zinc/37/46/68/132374668.db2.gz ORBPAJMHLTWUOE-UHFFFAOYSA-N 1 0 368.481 3.060 10 0 FGAERO Cc1nccc(-c2cccc(N3CCC([NH2+]CCc4cnccn4)CC3)c2)n1 ZINC000023541576 136153068 /nfs/dbraw/zinc/15/30/68/136153068.db2.gz GHYOTIYSDWYYQV-UHFFFAOYSA-N 1 0 374.492 3.043 10 0 FGAERO C[NH+](C)C[C@H](NC(=O)NCc1nc2ccccc2s1)c1ccccc1 ZINC000047957356 493766304 /nfs/dbraw/zinc/76/63/04/493766304.db2.gz FOTWZIGWKNWCOF-INIZCTEOSA-N 1 0 354.479 3.398 10 0 FGAERO Cc1ccc([C@H](C)NC(=O)NCC2([NH+]3CCSCC3)CCCC2)o1 ZINC000048061524 493780260 /nfs/dbraw/zinc/78/02/60/493780260.db2.gz LNYLXQGDMVZDIY-HNNXBMFYSA-N 1 0 351.516 3.310 10 0 FGAERO O=C(N[C@@H]1C2CC[NH+](CC2)[C@@H]1Cc1cccnc1)c1cc2ccccc2o1 ZINC000028523416 493793114 /nfs/dbraw/zinc/79/31/14/493793114.db2.gz OXKRFEWMSWPKKV-WIYYLYMNSA-N 1 0 361.445 3.263 10 0 FGAERO C[NH+](C)C[C@H](NC(=O)NC[C@H]1CCN(c2ccccc2)C1)c1ccccc1 ZINC000048216755 493803520 /nfs/dbraw/zinc/80/35/20/493803520.db2.gz PEDYVBLXZXJWOD-NQIIRXRSSA-N 1 0 366.509 3.115 10 0 FGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N[C@H](C)c1cc(OC)c(OC)cc1C ZINC000049132316 493862427 /nfs/dbraw/zinc/86/24/27/493862427.db2.gz DLXMGXAAUSCFGR-LSDHHAIUSA-N 1 0 351.491 3.103 10 0 FGAERO C[C@H](NC(=O)NC[C@H](O)C[NH+]1CCCCC1)c1ccc2ccccc2c1 ZINC000049172794 493864417 /nfs/dbraw/zinc/86/44/17/493864417.db2.gz UMOUBUWAVFERMR-JXFKEZNVSA-N 1 0 355.482 3.047 10 0 FGAERO CC(C)NC(=O)OC1CC[NH+](CCCC(=O)c2ccc(F)cc2)CC1 ZINC000004215204 493869423 /nfs/dbraw/zinc/86/94/23/493869423.db2.gz HJSFDYCHYVGVDC-UHFFFAOYSA-N 1 0 350.434 3.388 10 0 in-man FGAERO Cc1cc(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)c2cnn(C(C)C)c2n1 ZINC000029953883 493869905 /nfs/dbraw/zinc/86/99/05/493869905.db2.gz GGBPTBLTWIQKQM-IBGZPJMESA-N 1 0 365.481 3.353 10 0 FGAERO C[C@H](NC(=O)NC[C@H](O)C[NH+]1CCCCC1)c1ccc(Cl)c(Cl)c1 ZINC000049787951 493884497 /nfs/dbraw/zinc/88/44/97/493884497.db2.gz VTNXTDVESXRFJO-JSGCOSHPSA-N 1 0 374.312 3.200 10 0 FGAERO CC[NH+](CC)CCOc1ccc(C(=O)N[C@@H]2COc3ccccc32)cc1 ZINC000058970953 493897905 /nfs/dbraw/zinc/89/79/05/493897905.db2.gz UVEVTUGXOUKDQY-LJQANCHMSA-N 1 0 354.450 3.271 10 0 FGAERO CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@H]1CCCC[C@@H]1CO ZINC000081604913 493927459 /nfs/dbraw/zinc/92/74/59/493927459.db2.gz PIMLPMLTIAXGRE-SJORKVTESA-N 1 0 363.502 3.080 10 0 FGAERO C[NH+](C)C[C@H](NC(=O)c1ccc(OC[C@H]2CCCO2)cc1)c1ccccc1 ZINC000052555323 494039277 /nfs/dbraw/zinc/03/92/77/494039277.db2.gz KRWQEXJPUDXFFQ-RTWAWAEBSA-N 1 0 368.477 3.277 10 0 FGAERO C[NH+](C)C[C@H](NC(=O)CSc1ccc(F)c(F)c1)c1ccccc1 ZINC000052556196 494040125 /nfs/dbraw/zinc/04/01/25/494040125.db2.gz SCQRSZVNTUOPRG-KRWDZBQOSA-N 1 0 350.434 3.476 10 0 FGAERO CC[N@@H+]1CCC[C@@H](NC(=O)N(C)Cc2ccccc2OC(F)(F)F)C1 ZINC000052592659 494044957 /nfs/dbraw/zinc/04/49/57/494044957.db2.gz FYOLUVKLTXXITM-CQSZACIVSA-N 1 0 359.392 3.211 10 0 FGAERO O[C@H](COCc1ccccc1)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000084926186 494106583 /nfs/dbraw/zinc/10/65/83/494106583.db2.gz GRQODLHYLSGGRF-PMACEKPBSA-N 1 0 369.461 3.172 10 0 FGAERO COc1c(Br)cc(Cl)cc1NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054306800 494219042 /nfs/dbraw/zinc/21/90/42/494219042.db2.gz LZBHAJJWJCDDMQ-VIFPVBQESA-N 1 0 361.667 3.439 10 0 FGAERO COc1ccc([C@@H](C)NC(=O)C[C@H]2CCC[NH2+]C2)cc1Br ZINC000054307448 494219314 /nfs/dbraw/zinc/21/93/14/494219314.db2.gz RDODONADSMORFM-VXGBXAGGSA-N 1 0 355.276 3.025 10 0 FGAERO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+][C@H]2COc3ccccc32)c1 ZINC000089517350 494319707 /nfs/dbraw/zinc/31/97/07/494319707.db2.gz JUWKOQZORCDHQT-DYVFJYSZSA-N 1 0 356.422 3.144 10 0 FGAERO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@H]2COc3ccccc32)c1 ZINC000089517349 494319926 /nfs/dbraw/zinc/31/99/26/494319926.db2.gz JUWKOQZORCDHQT-GUYCJALGSA-N 1 0 356.422 3.144 10 0 FGAERO 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ATAXZRJSSKUHSH-HXUWFJFHSA-N 1 0 361.449 3.368 10 0 FGAERO CC[NH+](CC)CCOc1ccc(CNC(=O)N2CCS[C@H](C)C2)cc1 ZINC000171739789 496014298 /nfs/dbraw/zinc/01/42/98/496014298.db2.gz XMBNAQGJKUXUIP-MRXNPFEDSA-N 1 0 365.543 3.054 10 0 FGAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2cn(C)nc2-c2ccccc2)C12CCOCC2 ZINC000186499508 496020730 /nfs/dbraw/zinc/02/07/30/496020730.db2.gz VYCJUZUITFFHJQ-RTBURBONSA-N 1 0 355.482 3.151 10 0 FGAERO CC[C@@H]1CN(C(=O)c2cc(F)c(Cl)cc2Cl)CC[N@@H+]1C[C@@H](C)O ZINC000174598871 496027940 /nfs/dbraw/zinc/02/79/40/496027940.db2.gz ZRJIYDYWJAERSS-GHMZBOCLSA-N 1 0 363.260 3.050 10 0 FGAERO CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](CC(C)C)c2ccccn2)ncn1 ZINC000180573296 496049798 /nfs/dbraw/zinc/04/97/98/496049798.db2.gz MULDWURBHDEQSN-SJLPKXTDSA-N 1 0 354.502 3.259 10 0 FGAERO CCOC(=O)C[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)c1ccccc1C ZINC000174676062 496057242 /nfs/dbraw/zinc/05/72/42/496057242.db2.gz VQWSGIWECZWAMM-HXUWFJFHSA-N 1 0 368.477 3.481 10 0 FGAERO CCOC(=O)C[C@H](NC(=O)c1cccc(C[NH+](C)C)c1)c1ccccc1C ZINC000174676049 496057294 /nfs/dbraw/zinc/05/72/94/496057294.db2.gz VQWSGIWECZWAMM-FQEVSTJZSA-N 1 0 368.477 3.481 10 0 FGAERO CC(C)c1nc([C@H]2CCCN2C(=O)NC2CC[NH+](C(C)(C)C)CC2)no1 ZINC000177430835 496059529 /nfs/dbraw/zinc/05/95/29/496059529.db2.gz GRYBWOJNHSJHTN-OAHLLOKOSA-N 1 0 363.506 3.302 10 0 FGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1cccc(NC(=O)CC(C)C)c1 ZINC000177438229 496061533 /nfs/dbraw/zinc/06/15/33/496061533.db2.gz SUYDNDXKNPDJPT-LJQANCHMSA-N 1 0 374.529 3.297 10 0 FGAERO C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000180599005 496062124 /nfs/dbraw/zinc/06/21/24/496062124.db2.gz PAPQPKVGVLMAHC-ZJUUUORDSA-N 1 0 374.338 3.147 10 0 FGAERO Cc1ccc(OCc2cccc(C(=O)N[C@H]3C[N@H+](C(C)C)C[C@@H]3C)c2)cn1 ZINC000155773997 496064179 /nfs/dbraw/zinc/06/41/79/496064179.db2.gz LBNCGYNQFONKJU-KKSFZXQISA-N 1 0 367.493 3.428 10 0 FGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cc(Cl)c(OC)cc1OC)CC2 ZINC000180611623 496068694 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COc1ccccc1[C@H](NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000171908069 496086669 /nfs/dbraw/zinc/08/66/69/496086669.db2.gz GOFMCAOVDIDYCH-WIYYLYMNSA-N 1 0 365.477 3.274 10 0 FGAERO COC(=O)[C@@H]1CCC[N@H+](Cc2cc(C)nc(-c3ccc(Cl)cc3)n2)C1 ZINC000152259524 496097181 /nfs/dbraw/zinc/09/71/81/496097181.db2.gz VMQISHVRGQEQDO-OAHLLOKOSA-N 1 0 359.857 3.490 10 0 FGAERO CN(C(=O)/C=C/Sc1ccccc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000171934343 496099115 /nfs/dbraw/zinc/09/91/15/496099115.db2.gz CXWZHJIVHBRIJB-LICLKQGHSA-N 1 0 370.522 3.112 10 0 FGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1c[nH]c2cccc(Br)c12 ZINC000155916785 496105773 /nfs/dbraw/zinc/10/57/73/496105773.db2.gz RUJNXZFVTICTHK-VXGBXAGGSA-N 1 0 362.271 3.239 10 0 FGAERO CCc1ccc([C@@H]2CCCCN2C(=O)NC[C@@H]2CCC[N@@H+]2CCOC)o1 ZINC000174823528 496121436 /nfs/dbraw/zinc/12/14/36/496121436.db2.gz DUUSBBYGVIWKQI-WMZOPIPTSA-N 1 0 363.502 3.189 10 0 FGAERO C[NH+](C)C[C@H]1CN(C(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)CCO1 ZINC000172124343 496175416 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CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCCOc1cccc(C(C)=O)c1 ZINC000175018071 496209462 /nfs/dbraw/zinc/20/94/62/496209462.db2.gz HCTVJNIVSISFJW-RBUKOAKNSA-N 1 0 358.482 3.133 10 0 FGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(-n2nc(C)cc2C)cc1 ZINC000175025031 496213889 /nfs/dbraw/zinc/21/38/89/496213889.db2.gz NNOVIYZHIYUEDD-UYAOXDASSA-N 1 0 352.482 3.188 10 0 FGAERO Cc1nn(C)c(C)c1CN1CCN([C@H]2CCc3c2cccc3Cl)CC1 ZINC000152719751 496235469 /nfs/dbraw/zinc/23/54/69/496235469.db2.gz CBUBTLWOTRSYHY-FQEVSTJZSA-N 1 0 358.917 3.495 10 0 FGAERO COc1ccc2nc(C[N@@H+]3CCC[C@@H](Cn4nc(C)nc4C)C3)sc2c1 ZINC000186985277 496240894 /nfs/dbraw/zinc/24/08/94/496240894.db2.gz NWMWFQHSGMHVKW-OAHLLOKOSA-N 1 0 371.510 3.425 10 0 FGAERO CC(=O)c1ccc(NCC2CC[NH+](C[C@H](O)c3ccccc3)CC2)nc1 ZINC000181050568 496253029 /nfs/dbraw/zinc/25/30/29/496253029.db2.gz CTJKFTZGCAQNSL-FQEVSTJZSA-N 1 0 353.466 3.142 10 0 FGAERO CC(C)[C@@H]([NH3+])CCN(C)C(=O)CCSc1ccc2c(c1)OCCCO2 ZINC000162001902 496279180 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FGAERO Cc1nccn1C[C@@H]1CCC[N@H+]1CC(=O)N1c2ccccc2CC[C@@H]1C ZINC000178295480 496402909 /nfs/dbraw/zinc/40/29/09/496402909.db2.gz GSGWIKZMINQQHP-LPHOPBHVSA-N 1 0 352.482 3.024 10 0 FGAERO CSc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]2Cn2ccnc2C)c1 ZINC000178328372 496415510 /nfs/dbraw/zinc/41/55/10/496415510.db2.gz CMMUBDLKUUCKDS-WMLDXEAASA-N 1 0 358.511 3.405 10 0 FGAERO C[C@@H](COCc1ccccc1)NC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000175511715 496420889 /nfs/dbraw/zinc/42/08/89/496420889.db2.gz AXSBHVGJLWBSAO-IBGZPJMESA-N 1 0 361.530 3.403 10 0 FGAERO C[N@H+](CCNC(=O)N[C@@H]1CCOc2ccccc21)Cc1ccc(F)cc1 ZINC000175531061 496428784 /nfs/dbraw/zinc/42/87/84/496428784.db2.gz BBMIRDFDMNBJOW-GOSISDBHSA-N 1 0 357.429 3.081 10 0 FGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1c(C)nc(-c2ccco2)nc1SC ZINC000175543579 496434907 /nfs/dbraw/zinc/43/49/07/496434907.db2.gz PJLHHENFUGMOHI-AWEZNQCLSA-N 1 0 374.510 3.323 10 0 FGAERO Cc1ccc(CNC(=O)NC[C@H](c2cccs2)N2CCO[C@H](C)C2)cc1 ZINC000178435517 496454444 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O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)N(C[C@@H]1CCOC1)C1CC1 ZINC000065517387 494207699 /nfs/dbraw/zinc/20/76/99/494207699.db2.gz AZXRAGURIVXSBI-PZJWPPBQSA-N 1 0 371.525 3.252 10 0 FGAERO Cc1cccc(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)c1 ZINC000065637872 494222527 /nfs/dbraw/zinc/22/25/27/494222527.db2.gz IMSCIHGAJPKOBO-HXUWFJFHSA-N 1 0 365.477 3.104 10 0 FGAERO Cc1csc2nc(C[N@@H+]3CCC[C@@H]3C[C@H](O)c3ccccc3)cc(=O)n12 ZINC000072867059 494271313 /nfs/dbraw/zinc/27/13/13/494271313.db2.gz YMLPCQOCQXSDTH-MSOLQXFVSA-N 1 0 369.490 3.153 10 0 FGAERO C[C@H](NC(=O)N[C@H](C[NH+](C)C)c1ccccc1)c1nc2ccccc2[nH]1 ZINC000043833220 494323138 /nfs/dbraw/zinc/32/31/38/494323138.db2.gz KNOBYURHNDQPNV-KBXCAEBGSA-N 1 0 351.454 3.226 10 0 FGAERO COc1ccc2c(c1)C[N@@H+](C[C@@H](O)COCc1ccc(Cl)cc1)CC2 ZINC000066474897 494341575 /nfs/dbraw/zinc/34/15/75/494341575.db2.gz BTMMDKAYMYTLGJ-LJQANCHMSA-N 1 0 361.869 3.284 10 0 FGAERO C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000089732711 494350811 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FGAERO O=C(c1cc(Cl)cc(Br)c1)N1CCN2CCCC[C@@H]2C1 ZINC000128737388 495142940 /nfs/dbraw/zinc/14/29/40/495142940.db2.gz LWEBWEGJQPDIFR-CQSZACIVSA-N 1 0 357.679 3.413 10 0 FGAERO CCn1cc(C2CCN(C(=O)[C@H](C)[N@@H+]3CCc4ccccc4C3)CC2)cn1 ZINC000123538468 495148226 /nfs/dbraw/zinc/14/82/26/495148226.db2.gz KUJSCKFDOGOHOU-KRWDZBQOSA-N 1 0 366.509 3.056 10 0 FGAERO COc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2nc(C)c(C)s2)cc1OC ZINC000112531111 495201281 /nfs/dbraw/zinc/20/12/81/495201281.db2.gz NYLWQHSWXVOXPT-VXGBXAGGSA-N 1 0 363.483 3.455 10 0 FGAERO CC(C)c1noc([C@@H](C)NCC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)n1 ZINC000112550107 495204210 /nfs/dbraw/zinc/20/42/10/495204210.db2.gz FUHCAHXRRJDJMJ-VQIMIIECSA-N 1 0 372.513 3.289 10 0 FGAERO CC(C)CCOC1CCN(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000124210409 495251741 /nfs/dbraw/zinc/25/17/41/495251741.db2.gz MFQRMMVBPRSKLB-GOSISDBHSA-N 1 0 353.551 3.344 10 0 FGAERO CCC[C@H](C(=O)Nc1cccc(C(=O)NCc2ccccc2)c1)[NH+](C)C ZINC000135194564 495261201 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O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)N1CCC(c2cc[nH]n2)CC1 ZINC000154949648 495782167 /nfs/dbraw/zinc/78/21/67/495782167.db2.gz OCFUSHDBHJQWLM-FQEVSTJZSA-N 1 0 367.497 3.136 10 0 FGAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccccc1O[C@@H]1CCOC1 ZINC000151350686 495813422 /nfs/dbraw/zinc/81/34/22/495813422.db2.gz TZUBJRRXEMUEJM-IAGOWNOFSA-N 1 0 361.486 3.096 10 0 FGAERO C[C@H]([NH2+]CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)[C@H]1CCCO1 ZINC000183129726 495846958 /nfs/dbraw/zinc/84/69/58/495846958.db2.gz CFDQCJNSBAPOMQ-KLHJMIIUSA-N 1 0 370.518 3.379 10 0 FGAERO Cc1nc(C[C@H]2CCC[N@@H+]([C@@H](C)C(=O)N3CCCc4ccccc43)C2)no1 ZINC000171408355 495861233 /nfs/dbraw/zinc/86/12/33/495861233.db2.gz ZGAFCAFJRDDRIE-DOTOQJQBSA-N 1 0 368.481 3.000 10 0 FGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Cc1csc(-c2cccc(F)c2)n1 ZINC000176966970 495861653 /nfs/dbraw/zinc/86/16/53/495861653.db2.gz NZVGQBKGFZEMAT-KRWDZBQOSA-N 1 0 361.486 3.434 10 0 FGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000176977353 495867040 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CC[C@@H]1CN(C(=O)Nc2ccccc2OCC(C)C)CC[N@@H+]1C[C@@H](C)O ZINC000175347859 496350007 /nfs/dbraw/zinc/35/00/07/496350007.db2.gz CJFUPLPPVQAZPN-IAGOWNOFSA-N 1 0 363.502 3.030 10 0 FGAERO Cc1cc(C)n(C[C@H]2C[N@H+](CCCCCOc3ccccc3)CCO2)n1 ZINC000187236735 496354870 /nfs/dbraw/zinc/35/48/70/496354870.db2.gz UWXQRJMQMFZCIG-OAQYLSRUSA-N 1 0 357.498 3.450 10 0 FGAERO CC(C)c1nc2c(n1C)CCN(C(=O)[C@@H]1CC[N@@H+](C3CCCCC3)C1)C2 ZINC000178232805 496379319 /nfs/dbraw/zinc/37/93/19/496379319.db2.gz XZVCJTYZGZGVCV-MRXNPFEDSA-N 1 0 358.530 3.083 10 0 FGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCCc1ccc(OC)cc1OC ZINC000156993182 496381437 /nfs/dbraw/zinc/38/14/37/496381437.db2.gz CAGNOKGWCOKLED-ZWKOTPCHSA-N 1 0 360.498 3.112 10 0 FGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccc(F)cc1OCC(F)F ZINC000181428864 496391286 /nfs/dbraw/zinc/39/12/86/496391286.db2.gz WXXKXIAFECRAAJ-ZDUSSCGKSA-N 1 0 359.392 3.418 10 0 FGAERO CCOC(=O)C[C@H](NC(=O)C[C@H](C)C1CC[NH2+]CC1)c1ccccc1C ZINC000162700066 496399953 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CN(CC[NH+]1CCC(O)(Cc2cccc(F)c2)CC1)Cc1ccc(F)cc1 ZINC000187567383 496493170 /nfs/dbraw/zinc/49/31/70/496493170.db2.gz SYBJAWFCALWCRF-UHFFFAOYSA-N 1 0 374.475 3.466 10 0 FGAERO Cc1c(NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)cnn1-c1ccccc1F ZINC000157554618 496502465 /nfs/dbraw/zinc/50/24/65/496502465.db2.gz SZLLFJZCMHLDOP-GUYCJALGSA-N 1 0 359.449 3.170 10 0 FGAERO CCc1ccc([C@@H](C)NC(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000184711877 496502512 /nfs/dbraw/zinc/50/25/12/496502512.db2.gz VASBHBWYKNXKME-DLBZAZTESA-N 1 0 361.530 3.044 10 0 FGAERO CC[C@H](NC(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1)c1ccc(C)cc1 ZINC000184718991 496506448 /nfs/dbraw/zinc/50/64/48/496506448.db2.gz YLGHDAUHOAFTBJ-XLIONFOSSA-N 1 0 361.530 3.180 10 0 FGAERO CC[C@H]([NH2+]Cc1ccc2ccccc2n1)c1cccc(S(N)(=O)=O)c1 ZINC000181722904 496517424 /nfs/dbraw/zinc/51/74/24/496517424.db2.gz KEBQQBBKIITQSB-SFHVURJKSA-N 1 0 355.463 3.123 10 0 FGAERO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@@H](CN(C)C)c1ccccc1 ZINC000163795087 496558365 /nfs/dbraw/zinc/55/83/65/496558365.db2.gz XTPCPNYCYPSANX-PBHICJAKSA-N 1 0 360.889 3.345 10 0 FGAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000178750209 496560010 /nfs/dbraw/zinc/56/00/10/496560010.db2.gz ACRSBBDZMWBLSU-INIZCTEOSA-N 1 0 366.387 3.313 10 0 FGAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)NCc2cccc3ccccc32)CC1 ZINC000184979972 496609343 /nfs/dbraw/zinc/60/93/43/496609343.db2.gz WIAQNOIDWDIREQ-QGZVFWFLSA-N 1 0 369.509 3.074 10 0 FGAERO CC(C)CC1(CNC(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)CCCC1 ZINC000181950613 496610297 /nfs/dbraw/zinc/61/02/97/496610297.db2.gz SVVRORJZAVIXOV-SFHVURJKSA-N 1 0 367.578 3.327 10 0 FGAERO CC(C)CCOc1ccc(NC(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)cc1 ZINC000182002804 496631106 /nfs/dbraw/zinc/63/11/06/496631106.db2.gz YAIWYLWPAHPVQQ-DLBZAZTESA-N 1 0 363.502 3.030 10 0 FGAERO COc1cccc(Oc2ccc(CNC(=O)[C@H]3CCC[C@H]([NH3+])C3)cn2)c1 ZINC000164756882 496631182 /nfs/dbraw/zinc/63/11/82/496631182.db2.gz BXUYCACAEFYYEA-HOTGVXAUSA-N 1 0 355.438 3.016 10 0 FGAERO C[C@H](COCc1ccccc1)NC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000173343071 496650008 /nfs/dbraw/zinc/65/00/08/496650008.db2.gz DBXFSFOLIMFISF-GOSISDBHSA-N 1 0 359.514 3.252 10 0 FGAERO C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000188024835 496655614 /nfs/dbraw/zinc/65/56/14/496655614.db2.gz BHGSQVFSEZWRTO-QGZVFWFLSA-N 1 0 374.525 3.477 10 0 FGAERO C[C@@H]([NH2+][C@H](C)c1ccc2c(c1)OCCO2)C(=O)NCc1ccc(Cl)cc1 ZINC000158321639 496676079 /nfs/dbraw/zinc/67/60/79/496676079.db2.gz FYEYYKBQAMRURF-ZIAGYGMSSA-N 1 0 374.868 3.467 10 0 FGAERO C[C@@H](NC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1)c1ccc(Cl)s1 ZINC000185144710 496679705 /nfs/dbraw/zinc/67/97/05/496679705.db2.gz VVHGSXARPWPHIQ-CYBMUJFWSA-N 1 0 372.966 3.178 10 0 FGAERO CC1(C)CCc2ccccc2[C@@H]1NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000179186199 496704367 /nfs/dbraw/zinc/70/43/67/496704367.db2.gz CLBKDFSOWDSLTP-XLIONFOSSA-N 1 0 371.525 3.064 10 0 FGAERO C[NH+](C)[C@@H](CNC(=O)N1CCCC[C@@H]1c1cn[nH]c1)c1cccc(F)c1 ZINC000182212344 496708768 /nfs/dbraw/zinc/70/87/68/496708768.db2.gz ICPNSBPTVSPKNN-MSOLQXFVSA-N 1 0 359.449 3.088 10 0 FGAERO Cc1cnn([C@H]2CCC[N@@H+]([C@H](C)C(=O)NCc3ccc(Cl)cc3)C2)c1 ZINC000246950573 496733878 /nfs/dbraw/zinc/73/38/78/496733878.db2.gz BHZVAUMTPGZDQY-QAPCUYQASA-N 1 0 360.889 3.187 10 0 FGAERO Cc1nccn1C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000246968098 496738456 /nfs/dbraw/zinc/73/84/56/496738456.db2.gz IZZAQURTWHPSGE-KDOFPFPSSA-N 1 0 360.889 3.014 10 0 FGAERO CC[NH+]1CCN([C@H](C)CNC(=O)[C@H]2C[C@H]2c2ccc(C(C)C)cc2)CC1 ZINC000247014088 496751527 /nfs/dbraw/zinc/75/15/27/496751527.db2.gz OAIOWALIVMLFSW-QMMLZNLJSA-N 1 0 357.542 3.056 10 0 FGAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N[C@@H](C)c2ncc(-c3ccccc3)o2)C1 ZINC000247044648 496761708 /nfs/dbraw/zinc/76/17/08/496761708.db2.gz ICVWIERHDVFXSV-HLLBOEOZSA-N 1 0 356.470 3.431 10 0 FGAERO CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc3ccccc32)CC[N@@H+]1C[C@H](C)O ZINC000247052588 496763940 /nfs/dbraw/zinc/76/39/40/496763940.db2.gz YQTOMPYAGADMAW-DESBSMFKSA-N 1 0 366.505 3.247 10 0 FGAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1cccc2ccccc21 ZINC000247052103 496764543 /nfs/dbraw/zinc/76/45/43/496764543.db2.gz NOFZDSRLCXKSCJ-VQTJNVASSA-N 1 0 365.477 3.249 10 0 FGAERO Cc1nccn1C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)N[C@@H](C)c1ccccc1C ZINC000247175815 496799391 /nfs/dbraw/zinc/79/93/91/496799391.db2.gz VPSKWZFGFULJFD-SCTDSRPQSA-N 1 0 354.498 3.230 10 0 FGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc(CSc2nccn2C)c1 ZINC000247193161 496801962 /nfs/dbraw/zinc/80/19/62/496801962.db2.gz LISOXUBMJXTOOD-YJBOKZPZSA-N 1 0 370.522 3.021 10 0 FGAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N(C)Cc2ccc(Br)s2)C1 ZINC000247282158 496824911 /nfs/dbraw/zinc/82/49/11/496824911.db2.gz KJBRVGMWSGXVQP-DGCLKSJQSA-N 1 0 374.348 3.381 10 0 FGAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCCc2ccc(Br)s2)C1 ZINC000247298705 496827881 /nfs/dbraw/zinc/82/78/81/496827881.db2.gz LGULGUJYZIMTCR-WCQYABFASA-N 1 0 374.348 3.081 10 0 FGAERO Cc1ccc(C[C@@H](NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)c2ccccn2)cc1 ZINC000247298560 496827934 /nfs/dbraw/zinc/82/79/34/496827934.db2.gz USPPCZLBBHFHLG-PZJWPPBQSA-N 1 0 364.493 3.163 10 0 FGAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)N(C)Cc2csc(Br)c2)C1 ZINC000247345354 496840903 /nfs/dbraw/zinc/84/09/03/496840903.db2.gz NSPKKPZDLSKODF-WCQYABFASA-N 1 0 374.348 3.381 10 0 FGAERO CN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)[C@H]1CCC[NH2+]C1 ZINC000195177447 496842253 /nfs/dbraw/zinc/84/22/53/496842253.db2.gz DLMDKCVYADSVCM-KRWDZBQOSA-N 1 0 372.488 3.387 10 0 FGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1 ZINC000247415572 496854810 /nfs/dbraw/zinc/85/48/10/496854810.db2.gz ZYUPAGSIJAJRDT-KXBFYZLASA-N 1 0 370.497 3.059 10 0 FGAERO COc1c(C)cnc(CN2CC[C@H](C[N@H+](C)Cc3scnc3C)C2)c1C ZINC000195255388 496863272 /nfs/dbraw/zinc/86/32/72/496863272.db2.gz UYTIZJRGRXDYCB-QGZVFWFLSA-N 1 0 374.554 3.426 10 0 FGAERO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(CC(=O)Nc2ccc(C)cc2)C1 ZINC000195255143 496863438 /nfs/dbraw/zinc/86/34/38/496863438.db2.gz MUXGODIRKMVEPV-QGZVFWFLSA-N 1 0 372.538 3.152 10 0 FGAERO COc1ccc([C@@H](C)NC(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)cc1OC ZINC000247477781 496867639 /nfs/dbraw/zinc/86/76/39/496867639.db2.gz VVWHZLGTSCQHCR-HZPDHXFCSA-N 1 0 363.502 3.042 10 0 FGAERO Cc1ncsc1CN(C)C[C@H]1CC[N@H+](CCOc2ccccc2F)C1 ZINC000195264564 496867846 /nfs/dbraw/zinc/86/78/46/496867846.db2.gz ZPBOXIKYGHNLJS-MRXNPFEDSA-N 1 0 363.502 3.423 10 0 FGAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(COc3ccc(F)cc3)o2)C1 ZINC000247491167 496871074 /nfs/dbraw/zinc/87/10/74/496871074.db2.gz WWSOGPYRCPOOAT-RDTXWAMCSA-N 1 0 360.429 3.456 10 0 FGAERO CC[N@H+](C[C@@H](O)CN1CCCC1=O)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000247508528 496875588 /nfs/dbraw/zinc/87/55/88/496875588.db2.gz OZZZRNRZDFPJJO-CZUORRHYSA-N 1 0 358.404 3.072 10 0 FGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@@H](c2nccs2)c2ccccc2)C1 ZINC000247515443 496877473 /nfs/dbraw/zinc/87/74/73/496877473.db2.gz YSCGCCOATSVFQR-HYVNUMGLSA-N 1 0 358.511 3.260 10 0 FGAERO CC(C)c1c(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cnn1-c1ccc(F)cc1 ZINC000247517187 496877594 /nfs/dbraw/zinc/87/75/94/496877594.db2.gz WJPUSPODTZTUNB-QAPCUYQASA-N 1 0 370.472 3.444 10 0 FGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(OCC(F)(F)F)cc1 ZINC000247522019 496878614 /nfs/dbraw/zinc/87/86/14/496878614.db2.gz WVFIHHDVBNPMIT-HIFRSBDPSA-N 1 0 371.403 3.006 10 0 FGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCc1cc(Br)cs1 ZINC000247526174 496880726 /nfs/dbraw/zinc/88/07/26/496880726.db2.gz XCJQHYNBGNKBPI-AAEUAGOBSA-N 1 0 357.317 3.138 10 0 FGAERO C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H](C)c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000247539876 496883407 /nfs/dbraw/zinc/88/34/07/496883407.db2.gz XYIKGAGCYYPLKD-PMPSAXMXSA-N 1 0 374.506 3.007 10 0 FGAERO CCO[C@@H]1C[C@H]([NH2+]CCc2ccccc2OC(F)F)C12CCOCC2 ZINC000188716958 496886325 /nfs/dbraw/zinc/88/63/25/496886325.db2.gz KJDQQXMPUPBFDB-DLBZAZTESA-N 1 0 355.425 3.394 10 0 FGAERO Brc1cccc(-c2cnc(CN3CC[N@@H+]4CCC[C@H]4C3)o2)c1 ZINC000247567404 496889935 /nfs/dbraw/zinc/88/99/35/496889935.db2.gz RJNSGCDGJFOBDB-HNNXBMFYSA-N 1 0 362.271 3.384 10 0 FGAERO CC(C)Oc1cc(Br)ccc1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195337858 496893979 /nfs/dbraw/zinc/89/39/79/496893979.db2.gz NBDNKVPSXMXBAK-CQSZACIVSA-N 1 0 367.287 3.157 10 0 FGAERO Cc1cnn([C@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3cccc4ncccc43)C2)c1 ZINC000247594986 496894040 /nfs/dbraw/zinc/89/40/40/496894040.db2.gz KDUGEAMYUKFWJA-SJORKVTESA-N 1 0 363.465 3.404 10 0 FGAERO Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)[NH2+][C@H](C)c1cccs1 ZINC000195340750 496895565 /nfs/dbraw/zinc/89/55/65/496895565.db2.gz AJGHTVVCIGEJCC-HUUCEWRRSA-N 1 0 359.495 3.159 10 0 FGAERO C[C@H](Oc1ccc(C(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1)c1ccccc1 ZINC000191856009 496911873 /nfs/dbraw/zinc/91/18/73/496911873.db2.gz DAIOSAXQNCEYIP-LAUBAEHRSA-N 1 0 368.477 3.229 10 0 FGAERO CCN(C(=O)[C@H](C)[N@@H+]1CCC[C@@H](Cn2nc(C)nc2C)C1)c1ccccc1 ZINC000247805626 496917098 /nfs/dbraw/zinc/91/70/98/496917098.db2.gz SNQJPDJJKZWCFG-QFBILLFUSA-N 1 0 369.513 3.049 10 0 FGAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2cc(OC)ccc2Br)C1 ZINC000195458471 496928200 /nfs/dbraw/zinc/92/82/00/496928200.db2.gz YPLMFZLUCFRQOC-LLVKDONJSA-N 1 0 356.264 3.064 10 0 FGAERO Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC(c2ccnn2C)CC1 ZINC000195501818 496941990 /nfs/dbraw/zinc/94/19/90/496941990.db2.gz VLLRHEIZNBZPKN-SJORKVTESA-N 1 0 354.498 3.174 10 0 FGAERO CCn1cc(C2CC[NH+]([C@H](C)C(=O)N3CCc4ccccc4C3)CC2)cn1 ZINC000195513094 496947403 /nfs/dbraw/zinc/94/74/03/496947403.db2.gz WRBNYLOBDWZJRE-QGZVFWFLSA-N 1 0 366.509 3.056 10 0 FGAERO CCn1cc(C2CC[NH+](CC(=O)N3CCC[C@@H]4CCCC[C@H]43)CC2)cn1 ZINC000195513195 496948080 /nfs/dbraw/zinc/94/80/80/496948080.db2.gz ZPZYNSDDWVDIRX-AZUAARDMSA-N 1 0 358.530 3.264 10 0 FGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cn(-c2ccccc2)nc1C ZINC000248396880 496994818 /nfs/dbraw/zinc/99/48/18/496994818.db2.gz HMFNKJILOIZULY-AEFFLSMTSA-N 1 0 353.470 3.271 10 0 FGAERO COc1ccc(-c2nc(Cc3ccccc3)no2)c(OC2CC[NH2+]CC2)c1 ZINC000218581060 497003557 /nfs/dbraw/zinc/00/35/57/497003557.db2.gz OLKYMNVKCFWTPN-UHFFFAOYSA-N 1 0 365.433 3.467 10 0 FGAERO CCN1CCC[C@H]([NH2+][C@H]2CCCC[C@@H]2S(=O)(=O)c2ccc(C)cc2)C1 ZINC000248496907 497026969 /nfs/dbraw/zinc/02/69/69/497026969.db2.gz LNANCBULYLEKMF-IHPCNDPISA-N 1 0 364.555 3.154 10 0 FGAERO C[C@@H](C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)N(C)CC(F)(F)F ZINC000192193510 497028447 /nfs/dbraw/zinc/02/84/47/497028447.db2.gz FLNFAQRXJWRHDG-DOTOQJQBSA-N 1 0 371.447 3.040 10 0 FGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1csc(-c2ccc(F)c(F)c2)n1 ZINC000248527323 497030737 /nfs/dbraw/zinc/03/07/37/497030737.db2.gz DCTCWIMSJANPLE-YPMHNXCESA-N 1 0 363.433 3.397 10 0 FGAERO CC[C@H](C)[C@H](O)C[NH2+][C@H](c1ccc(Br)cc1)c1cncnc1 ZINC000248551159 497036933 /nfs/dbraw/zinc/03/69/33/497036933.db2.gz IJZRLGQSEWUBHV-JCURWCKSSA-N 1 0 364.287 3.325 10 0 FGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1csc(Cc2cccc(F)c2)n1 ZINC000248575186 497045067 /nfs/dbraw/zinc/04/50/67/497045067.db2.gz PBZQSMADGKJXCQ-CJNGLKHVSA-N 1 0 359.470 3.182 10 0 FGAERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2sc(CCOC)nc2C)C12CCOCC2 ZINC000248624832 497061888 /nfs/dbraw/zinc/06/18/88/497061888.db2.gz CTKDEPKHQQWAIV-VNQPRFMTSA-N 1 0 368.543 3.265 10 0 FGAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(OC)c(COC)c2)C12CCOCC2 ZINC000248625730 497062718 /nfs/dbraw/zinc/06/27/18/497062718.db2.gz DJNMCNHUEIRDFZ-CDHQVMDDSA-N 1 0 363.498 3.466 10 0 FGAERO CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCCOc3ccc(OC)cc32)C12CCOCC2 ZINC000248642354 497069461 /nfs/dbraw/zinc/06/94/61/497069461.db2.gz OOYJOKCTHNXKBO-DFQSSKMNSA-N 1 0 361.482 3.473 10 0 FGAERO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1C[C@H](O)COC(c1ccccc1)c1ccccc1 ZINC000248696430 497081165 /nfs/dbraw/zinc/08/11/65/497081165.db2.gz AFYOWBBFPNVLGY-UDKICSLYSA-N 1 0 369.505 3.387 10 0 FGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc(Br)c1F ZINC000192362272 497088871 /nfs/dbraw/zinc/08/88/71/497088871.db2.gz YWLVNXLFKZKPMR-NWDGAFQWSA-N 1 0 355.251 3.287 10 0 FGAERO 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NDXFJUGJJOVXQS-AWEZNQCLSA-N 1 0 369.856 3.054 10 0 FGAERO Cn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H]([N@H+](C)Cc1ccco1)C2 ZINC000014751538 211101067 /nfs/dbraw/zinc/10/10/67/211101067.db2.gz IBXYLLBPNIFPDV-MRXNPFEDSA-N 1 0 370.497 3.019 10 0 FGAERO Cn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H]([NH2+]Cc1ccsc1)C2 ZINC000014754110 211100579 /nfs/dbraw/zinc/10/05/79/211100579.db2.gz RZDZGUPLQZCNLK-INIZCTEOSA-N 1 0 372.538 3.145 10 0 FGAERO CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H]([NH2+]Cc1ccc(C)o1)C2 ZINC000014740366 211100584 /nfs/dbraw/zinc/10/05/84/211100584.db2.gz ACOMJXZQYPLRBZ-INIZCTEOSA-N 1 0 370.497 3.078 10 0 FGAERO COc1ccc(OC)c([C@H]([NH3+])c2cccc(I)c2)c1 ZINC000020480602 220329065 /nfs/dbraw/zinc/32/90/65/220329065.db2.gz GFLNFFBNYAVKNP-OAHLLOKOSA-N 1 0 369.202 3.357 10 0 FGAERO Cc1ccc(-c2cc3n(n2)CCCN(C(=O)CC[NH+]2CCCCC2)C3)cc1 ZINC000065225213 221181322 /nfs/dbraw/zinc/18/13/22/221181322.db2.gz FEWVECWGLATPQT-UHFFFAOYSA-N 1 0 366.509 3.467 10 0 FGAERO CC[NH+](CC)CCc1nc2c([nH]1)C(=O)NC[C@H](c1ccc(Cl)cc1)C2 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3.497 10 0 FGAERO Cc1ccc(C(=O)Nc2cc(N)ccc2N2CC[NH+](C)CC2)cc1Cl ZINC000226259347 132374777 /nfs/dbraw/zinc/37/47/77/132374777.db2.gz MMQFWINVIRVQSI-UHFFFAOYSA-N 1 0 358.873 3.235 10 0 FGAERO CC[NH+]1CCN(c2ccc(N)cc2NC(=O)Cc2ccc(Cl)cc2)CC1 ZINC000226258422 132374782 /nfs/dbraw/zinc/37/47/82/132374782.db2.gz QTFNTONMXKUFIF-UHFFFAOYSA-N 1 0 372.900 3.245 10 0 FGAERO O=C(NCc1cccc(Br)c1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000033129040 136117567 /nfs/dbraw/zinc/11/75/67/136117567.db2.gz PXPHXITUHSJYSM-UHFFFAOYSA-N 1 0 374.282 3.377 10 0 FGAERO Cc1ccc(CN2C(=O)CCC23CCC([NH2+]C[C@H]2CCOC2)CC3)cc1 ZINC000096075891 222013137 /nfs/dbraw/zinc/01/31/37/222013137.db2.gz DGEOKZYZAXGJDC-VRKFHHGPSA-N 1 0 356.510 3.425 10 0 FGAERO C[C@@H]([NH3+])Cc1ccc(Br)cc1-n1cc(Br)cn1 ZINC000104284244 222354182 /nfs/dbraw/zinc/35/41/82/222354182.db2.gz JDUMEGJNPUGQEN-MRVPVSSYSA-N 1 0 359.065 3.287 10 0 FGAERO O=C(CCCN1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Br)cc1 ZINC000094462629 494957190 /nfs/dbraw/zinc/95/71/90/494957190.db2.gz AWHZTVOQNUGWIV-MRXNPFEDSA-N 1 0 351.288 3.192 10 0 FGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1c(F)cc(Br)cc1F ZINC000094716592 494957212 /nfs/dbraw/zinc/95/72/12/494957212.db2.gz JSDVGIWZCCIKSE-MWLCHTKSSA-N 1 0 359.214 3.036 10 0 FGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1c(F)cc(Br)cc1F ZINC000094716593 494957484 /nfs/dbraw/zinc/95/74/84/494957484.db2.gz JSDVGIWZCCIKSE-GXSJLCMTSA-N 1 0 359.214 3.036 10 0 FGAERO Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000068224116 493781661 /nfs/dbraw/zinc/78/16/61/493781661.db2.gz POBXLCNAJABJJB-GOSISDBHSA-N 1 0 374.504 3.263 10 0 FGAERO Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000068224114 493781779 /nfs/dbraw/zinc/78/17/79/493781779.db2.gz POBXLCNAJABJJB-SFHVURJKSA-N 1 0 374.504 3.263 10 0 FGAERO C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)cc1 ZINC000048108924 493787274 /nfs/dbraw/zinc/78/72/74/493787274.db2.gz ADFQUNRWURDDKP-YSGRDPCXSA-N 1 0 365.477 3.314 10 0 FGAERO 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Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000237850481 713597954 /nfs/dbraw/zinc/59/79/54/713597954.db2.gz VFPOLUZZJCWIRD-ONGXEEELSA-N 1 0 357.401 3.481 10 0 FGAERO [NH3+][C@@H]1CCC[C@H](C(=O)NCC2(c3ccccc3Br)CC2)C1 ZINC000237896345 713598404 /nfs/dbraw/zinc/59/84/04/713598404.db2.gz BLJNYSFGSZLPDU-QWHCGFSZSA-N 1 0 351.288 3.114 10 0 FGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(Br)cnc1Cl ZINC000246834810 713631486 /nfs/dbraw/zinc/63/14/86/713631486.db2.gz AXUVFPVDTQANAZ-RYUDHWBXSA-N 1 0 372.694 3.196 10 0 FGAERO Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000247042942 713634753 /nfs/dbraw/zinc/63/47/53/713634753.db2.gz GSJRHDBNTPOXLX-CJNGLKHVSA-N 1 0 358.873 3.143 10 0 FGAERO C[NH2+][C@@H](C)CNC(=O)[C@@H](Oc1ccc(F)c(Cl)c1)c1ccccc1 ZINC000261614206 713711606 /nfs/dbraw/zinc/71/16/06/713711606.db2.gz AMWVJJATPQCWSD-SJCJKPOMSA-N 1 0 350.821 3.323 10 0 FGAERO C[NH2+][C@@H](C)CNC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 ZINC000261638191 713711903 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C[NH2+][C@@H](C)CNC(=O)C1(c2cccc(Br)c2)CCCCC1 ZINC000261839426 713715151 /nfs/dbraw/zinc/71/51/51/713715151.db2.gz WCPCZTFBWXCXLH-ZDUSSCGKSA-N 1 0 353.304 3.375 10 0 FGAERO C[NH2+]CCc1ccccc1C(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000262181464 713721094 /nfs/dbraw/zinc/72/10/94/713721094.db2.gz ITNCZFSPZOJIDA-IBGZPJMESA-N 1 0 358.869 3.316 10 0 FGAERO C[C@]1([NH3+])CCCC[C@@H]1C(=O)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000263030241 713734402 /nfs/dbraw/zinc/73/44/02/713734402.db2.gz RVGAXCVFJUDPMK-CPUCHLNUSA-N 1 0 367.287 3.297 10 0 FGAERO CCOc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)OC(C)(C)C)cc1OC ZINC000305983499 713794197 /nfs/dbraw/zinc/79/41/97/713794197.db2.gz FWYQZEKKSZUMHX-CQSZACIVSA-N 1 0 352.475 3.439 10 0 FGAERO O=C(N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1cccc(Cl)n1 ZINC000311141619 713801616 /nfs/dbraw/zinc/80/16/16/713801616.db2.gz YSVWQPVUKFOICX-GVDBMIGSSA-N 1 0 355.869 3.375 10 0 FGAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000312259957 713802348 /nfs/dbraw/zinc/80/23/48/713802348.db2.gz GXHJBNQHQJZUOD-HQJQHLMTSA-N 1 0 351.166 3.030 10 0 FGAERO CCC[NH2+]CC(=O)Nc1ccc([C@@H]2NC(=O)C(C)(C)c3ccccc32)cc1 ZINC000033823669 210245658 /nfs/dbraw/zinc/24/56/58/210245658.db2.gz WVXIQKKXCSCGNB-FQEVSTJZSA-N 1 0 365.477 3.122 10 0 FGAERO CC[C@@](O)(c1ccccc1)[C@H](Cc1ccccc1)C[NH+]1CCN(C)CC1 ZINC000022040924 210236333 /nfs/dbraw/zinc/23/63/33/210236333.db2.gz XGYLNPIJMWASIB-DHIUTWEWSA-N 1 0 352.522 3.391 10 0 FGAERO C[N@H+](Cc1ccoc1)Cc1cccc(-c2nc([C@H]3CCOC3)cc(=O)[nH]2)c1 ZINC000023399041 210158535 /nfs/dbraw/zinc/15/85/35/210158535.db2.gz DAIWBDUTRPEDOR-SFHVURJKSA-N 1 0 365.433 3.166 10 0 FGAERO C[NH2+]C[C@@H]1CCCCN1Cc1cc(Br)c(Br)o1 ZINC000063166996 212032308 /nfs/dbraw/zinc/03/23/08/212032308.db2.gz OZTAIMQGILGHAE-VIFPVBQESA-N 1 0 366.097 3.379 10 0 FGAERO CC[NH+](CC)CCCCN1C(=O)C[C@@]2(CCCc3ccc(OC)cc32)C1=O ZINC000027563444 211468140 /nfs/dbraw/zinc/46/81/40/211468140.db2.gz IPIQKBIKYLVUPY-JOCHJYFZSA-N 1 0 372.509 3.150 10 0 FGAERO CSc1ncc(C[NH2+]CC2(N3CCCCC3)Cc3ccccc3C2)cn1 ZINC000023360715 211383665 /nfs/dbraw/zinc/38/36/65/211383665.db2.gz JMLQLFSXAVBQOZ-UHFFFAOYSA-N 1 0 368.550 3.312 10 0 FGAERO CCOC(=O)CCCC(=O)Nc1ccc2[nH]cc(CC[NH+]3CCCC3)c2c1 ZINC000022336202 211346963 /nfs/dbraw/zinc/34/69/63/211346963.db2.gz PRIRTZPEJXVGGS-UHFFFAOYSA-N 1 0 371.481 3.478 10 0 FGAERO COc1ccc(F)cc1[C@H]([NH3+])c1cccc(I)c1 ZINC000020480692 211283445 /nfs/dbraw/zinc/28/34/45/211283445.db2.gz QUFJAJBNMLGNDO-CQSZACIVSA-N 1 0 357.166 3.487 10 0 FGAERO CC(C)Cn1nc(C(=O)N(C)C)c2c1CC[C@@H]([N@H+](C)Cc1ccccc1)C2 ZINC000014755436 211101131 /nfs/dbraw/zinc/10/11/31/211101131.db2.gz JCALGYYGMPPPFD-GOSISDBHSA-N 1 0 368.525 3.230 10 0 FGAERO CNC(=O)c1nn(CC2CCCCC2)c2c1C[C@H]([NH+]1CCCCC1)CC2 ZINC000014741876 211099747 /nfs/dbraw/zinc/09/97/47/211099747.db2.gz IKHNVDHJWNGUPW-QGZVFWFLSA-N 1 0 358.530 3.166 10 0 FGAERO COc1ccccc1CN(Cc1cccnc1)C(=O)C[NH+]1CCCCCC1 ZINC000055227332 221062568 /nfs/dbraw/zinc/06/25/68/221062568.db2.gz FJFKBVCDYGAADH-UHFFFAOYSA-N 1 0 367.493 3.495 10 0 FGAERO O[C@@H]1C[N@H+](Cc2ccc3ccccc3n2)CC[C@H]1c1ccc2c(c1)OCO2 ZINC000065461574 221221178 /nfs/dbraw/zinc/22/11/78/221221178.db2.gz IYRXYEYVAFABFX-AZUAARDMSA-N 1 0 362.429 3.314 10 0 FGAERO C[C@H]([NH2+]Cc1cc(Br)c2c(c1)OCCCO2)[C@@H]1CCCO1 ZINC000037324925 257338170 /nfs/dbraw/zinc/33/81/70/257338170.db2.gz CBVVWMWTBXNQDX-FZMZJTMJSA-N 1 0 356.260 3.268 10 0 FGAERO C[C@H](C[NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1)N1CCOCC1 ZINC000102420693 257350602 /nfs/dbraw/zinc/35/06/02/257350602.db2.gz UFHUDEZFPKIPQL-GFCCVEGCSA-N 1 0 357.281 3.080 10 0 FGAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2cccc(-n3ccnc3)c2)C12CCOCC2 ZINC000249021727 257370806 /nfs/dbraw/zinc/37/08/06/257370806.db2.gz QTFWVPPBZYNURR-NSISKUIASA-N 1 0 355.482 3.497 10 0 FGAERO C[NH+](C)[C@H]1CC[C@@H](NC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccn2)C1 ZINC000333386984 257386570 /nfs/dbraw/zinc/38/65/70/257386570.db2.gz BVTJVGGETRHUFF-CABCVRRESA-N 1 0 370.501 3.169 10 0 FGAERO Cc1ccccc1CN(CCO)C(=O)c1ccc([C@H]2CCC[NH2+]C2)cc1 ZINC000095380045 221883321 /nfs/dbraw/zinc/88/33/21/221883321.db2.gz QLALUPBRYHBYIO-FQEVSTJZSA-N 1 0 352.478 3.097 10 0 FGAERO C[C@@H](COc1ccc(F)c(F)c1)[NH2+]C[C@H](O)Cc1ccc(F)cc1F ZINC000097138185 222163397 /nfs/dbraw/zinc/16/33/97/222163397.db2.gz SGHSTHABDDCBLQ-SMDDNHRTSA-N 1 0 357.347 3.204 10 0 FGAERO Brc1cccc(N(CC2CC2)C2=[NH+]CCN2)c1Br ZINC000028228741 493780729 /nfs/dbraw/zinc/78/07/29/493780729.db2.gz BDFIXMOJTWUVBY-UHFFFAOYSA-N 1 0 373.092 3.387 10 0 FGAERO C[NH+](C)C[C@@H](NC(=O)NC[C@H]1CCN(c2ccccc2)C1)c1ccccc1 ZINC000048216756 493803419 /nfs/dbraw/zinc/80/34/19/493803419.db2.gz PEDYVBLXZXJWOD-WIYYLYMNSA-N 1 0 366.509 3.115 10 0 FGAERO CC(C)c1ccc([C@@H](C)[NH2+]CC(=O)N2CC(=O)Nc3ccccc32)cc1 ZINC000068757900 493867809 /nfs/dbraw/zinc/86/78/09/493867809.db2.gz OZABRSIWODVYIQ-OAHLLOKOSA-N 1 0 351.450 3.446 10 0 FGAERO CC(C)c1noc2ncc(C(=O)N[C@@H](C[NH+](C)C)c3ccccc3)cc21 ZINC000029954177 493869934 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10 0 FGAERO C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCO2)C(=O)N(C)Cc1cccc(F)c1 ZINC000070788265 494057627 /nfs/dbraw/zinc/05/76/27/494057627.db2.gz KKHUCPIAZLUNNE-GJZGRUSLSA-N 1 0 372.440 3.295 10 0 FGAERO Cc1ccc(O)c(Cn2c3ccccc3nc2NCCC[NH+]2CCCC2)n1 ZINC000033819622 494063391 /nfs/dbraw/zinc/06/33/91/494063391.db2.gz MTVUXAWDAGCOFR-UHFFFAOYSA-N 1 0 365.481 3.391 10 0 FGAERO COc1ccc(F)cc1[C@H]([NH3+])c1ccccc1I ZINC000034957099 494071253 /nfs/dbraw/zinc/07/12/53/494071253.db2.gz QGDYPBLFMPMHSC-CQSZACIVSA-N 1 0 357.166 3.487 10 0 FGAERO Cc1cccc(C[N@H+](C[C@H](O)COCc2ccco2)C[C@H]2CCCO2)c1 ZINC000036100631 494086642 /nfs/dbraw/zinc/08/66/42/494086642.db2.gz SAWJIRFCKMQWNH-VQTJNVASSA-N 1 0 359.466 3.147 10 0 FGAERO COc1ccc(C[N@@H+](Cc2ccco2)C[C@H](O)COCc2ccco2)cc1 ZINC000036102107 494086735 /nfs/dbraw/zinc/08/67/35/494086735.db2.gz VXSWSOLMEXWNRT-SFHVURJKSA-N 1 0 371.433 3.461 10 0 FGAERO COc1ccc(OCc2ccccn2)c(C[NH2+]C[C@@H]2CCCC[C@@H]2O)c1 ZINC000077465658 494088325 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CC[C@@H]1CN(CCOc2cc(Cl)ccc2Cl)CC[N@@H+]1C[C@@H](C)O ZINC000106103789 495414341 /nfs/dbraw/zinc/41/43/41/495414341.db2.gz HBXLMAGFEAOPTB-UKRRQHHQSA-N 1 0 361.313 3.149 10 0 FGAERO CC[C@@H]1CN(Cc2csc(-c3ccsc3)n2)CC[N@@H+]1CCOC ZINC000106113281 495415571 /nfs/dbraw/zinc/41/55/71/495415571.db2.gz OQBIVQSBDBGZOC-MRXNPFEDSA-N 1 0 351.541 3.414 10 0 FGAERO C[C@@H]([NH2+]CC(=O)NCc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 ZINC000120621182 495420158 /nfs/dbraw/zinc/42/01/58/495420158.db2.gz LHDQZADJAHRZIV-CYBMUJFWSA-N 1 0 360.841 3.078 10 0 FGAERO CCc1nccn1[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)cc2)C1 ZINC000106214301 495432891 /nfs/dbraw/zinc/43/28/91/495432891.db2.gz WEFKVPLFCYYUBW-SJORKVTESA-N 1 0 363.889 3.176 10 0 FGAERO Cc1cnn([C@H]2CCC[N@@H+]([C@H](C)C(=O)N(C)Cc3ccccc3C)C2)c1 ZINC000106221678 495436556 /nfs/dbraw/zinc/43/65/56/495436556.db2.gz LBTCIQASNWVRQC-QUCCMNQESA-N 1 0 354.498 3.184 10 0 FGAERO COc1ccc(CC[C@H](C)NC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)cc1 ZINC000106434428 495455751 /nfs/dbraw/zinc/45/57/51/495455751.db2.gz DHUWCVIJOPKAEZ-LAUBAEHRSA-N 1 0 354.494 3.305 10 0 FGAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCc1cc(Br)cs1 ZINC000106459106 495457669 /nfs/dbraw/zinc/45/76/69/495457669.db2.gz AZGJLQYVJYXWKA-HNNXBMFYSA-N 1 0 367.312 3.300 10 0 FGAERO CC(C)n1cccc1C(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000130949046 495471305 /nfs/dbraw/zinc/47/13/05/495471305.db2.gz VMXYEMHVKZNVDG-OAQYLSRUSA-N 1 0 369.509 3.244 10 0 FGAERO Cn1ccnc1COc1ccc(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)cc1 ZINC000140409547 495494789 /nfs/dbraw/zinc/49/47/89/495494789.db2.gz APNIJPSQODUESR-NQIIRXRSSA-N 1 0 355.482 3.126 10 0 FGAERO Clc1cc(Cl)c2c(c1)C=C(C[N@@H+]1CC[C@@H](N3CCOCC3)C1)CO2 ZINC000120977810 495495681 /nfs/dbraw/zinc/49/56/81/495495681.db2.gz HHIXRWHFRPPCQQ-MRXNPFEDSA-N 1 0 369.292 3.176 10 0 FGAERO COc1ccc(CC[NH2+]C[C@@H](O)c2ccccc2)cc1Br ZINC000141716609 495509160 /nfs/dbraw/zinc/50/91/60/495509160.db2.gz SBRBZMGKVPDJSP-MRXNPFEDSA-N 1 0 350.256 3.323 10 0 FGAERO COc1cc(C)c([C@H](C)NC(=O)[C@H](Cc2ccccc2)[NH+](C)C)cc1OC ZINC000106907227 495509825 /nfs/dbraw/zinc/50/98/25/495509825.db2.gz ADSMYBFXGRRHLN-LPHOPBHVSA-N 1 0 370.493 3.362 10 0 FGAERO CCn1cnnc1[C@@H]1CCC[N@H+](C[C@H](O)COc2ccccc2C(C)C)C1 ZINC000107073990 495521851 /nfs/dbraw/zinc/52/18/51/495521851.db2.gz BRFCMNZNZFZDNY-MSOLQXFVSA-N 1 0 372.513 3.041 10 0 FGAERO CC[N@@H+]1CCC[C@H](NC(=O)CCc2cc(F)ccc2Br)C1 ZINC000182367267 495534680 /nfs/dbraw/zinc/53/46/80/495534680.db2.gz OKNAMXYKZKWEIT-AWEZNQCLSA-N 1 0 357.267 3.121 10 0 FGAERO C[C@H](NC(=O)N1CCC(CC[NH+](C)C)CC1)c1cccc(-n2ccnc2)c1 ZINC000173451077 495535271 /nfs/dbraw/zinc/53/52/71/495535271.db2.gz KZBWABXGAVDQIX-KRWDZBQOSA-N 1 0 369.513 3.307 10 0 FGAERO O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CC[C@H](Oc2ccncc2)C1 ZINC000154231147 495551133 /nfs/dbraw/zinc/55/11/33/495551133.db2.gz XCHODFUVJULWKR-FQEVSTJZSA-N 1 0 372.513 3.041 10 0 FGAERO CN(CCc1ccncc1)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000170688261 495565907 /nfs/dbraw/zinc/56/59/07/495565907.db2.gz XHTACCWFKUDTNI-OAQYLSRUSA-N 1 0 366.509 3.320 10 0 FGAERO CCCC[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)CC1 ZINC000158693069 495569170 /nfs/dbraw/zinc/56/91/70/495569170.db2.gz NYMOHZPYVJXIJA-HNNXBMFYSA-N 1 0 363.502 3.329 10 0 FGAERO Cc1ccc(CN(C(=O)[C@H]2CCC[NH2+]C2)c2ccc3c(c2)OCCO3)s1 ZINC000154294565 495571397 /nfs/dbraw/zinc/57/13/97/495571397.db2.gz OJXQHTHXKXDHMA-HNNXBMFYSA-N 1 0 372.490 3.361 10 0 FGAERO Cc1cc(N2CCC[C@H]([NH2+]Cc3c(C)oc4ccccc43)C2=O)n(C)n1 ZINC000182482516 495579991 /nfs/dbraw/zinc/57/99/91/495579991.db2.gz TWIQKYYRNAFIKY-KRWDZBQOSA-N 1 0 352.438 3.068 10 0 FGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCCc1coc(-c2ccc(C)cc2)n1 ZINC000176305630 495588742 /nfs/dbraw/zinc/58/87/42/495588742.db2.gz OKPSYBCPANCQLT-IBGZPJMESA-N 1 0 370.497 3.318 10 0 FGAERO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000179469101 495603934 /nfs/dbraw/zinc/60/39/34/495603934.db2.gz XOZACWGOKDKYRS-INIZCTEOSA-N 1 0 372.423 3.196 10 0 FGAERO CC(=O)Nc1ccc(S(=O)(=O)CCC[NH2+][C@H](C)c2cccs2)cc1 ZINC000182557372 495614489 /nfs/dbraw/zinc/61/44/89/495614489.db2.gz MLRIKKOVIRVZJN-CYBMUJFWSA-N 1 0 366.508 3.221 10 0 FGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(-c2nccn2C)c1 ZINC000176352081 495615838 /nfs/dbraw/zinc/61/58/38/495615838.db2.gz QVVZELKMHYWGGT-ZWKOTPCHSA-N 1 0 353.470 3.178 10 0 FGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccc(N2CCSCC2)cc1 ZINC000176364198 495620817 /nfs/dbraw/zinc/62/08/17/495620817.db2.gz VCGKQJJRBYSQPP-SFHVURJKSA-N 1 0 362.543 3.188 10 0 FGAERO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1C[C@H](O)COc1cccc2[nH]ccc21 ZINC000158964064 495625962 /nfs/dbraw/zinc/62/59/62/495625962.db2.gz IQYITXJRDUGAKO-QFBILLFUSA-N 1 0 368.481 3.095 10 0 FGAERO C[C@H](NC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)c1cccc(-n2ccnc2)c1 ZINC000176380337 495628240 /nfs/dbraw/zinc/62/82/40/495628240.db2.gz JCWJITLZAYEPGV-SZMVWBNQSA-N 1 0 355.486 3.105 10 0 FGAERO CC(C)N(C(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)C1CC1 ZINC000176381868 495629412 /nfs/dbraw/zinc/62/94/12/495629412.db2.gz UOLLLLCSEKYFOA-HXUWFJFHSA-N 1 0 359.514 3.014 10 0 FGAERO COc1cc(C(=O)N2CC[C@H]([NH+](C)C)C2)cc(Cl)c1OCC(C)C ZINC000170860713 495630739 /nfs/dbraw/zinc/63/07/39/495630739.db2.gz GBGAPYAPWFVITC-AWEZNQCLSA-N 1 0 354.878 3.160 10 0 FGAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)C1 ZINC000170858144 495630767 /nfs/dbraw/zinc/63/07/67/495630767.db2.gz TXVVPJPNSVFNTN-SFHVURJKSA-N 1 0 352.438 3.107 10 0 FGAERO C[NH+](C)[C@@H]1CCN(C(=O)CCSc2ccccc2Br)C1 ZINC000170865975 495632709 /nfs/dbraw/zinc/63/27/09/495632709.db2.gz SAUQLPHYFWJESX-GFCCVEGCSA-N 1 0 357.317 3.094 10 0 FGAERO CCC1(C(=O)N(C)CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)CCC1 ZINC000176392719 495633793 /nfs/dbraw/zinc/63/37/93/495633793.db2.gz XDBMJNFBCBAPGZ-FQEVSTJZSA-N 1 0 358.526 3.471 10 0 FGAERO COc1ccc(C(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)c2ccccc12 ZINC000176438600 495650634 /nfs/dbraw/zinc/65/06/34/495650634.db2.gz XTOPIMPWNDVNTE-MRXNPFEDSA-N 1 0 370.493 3.013 10 0 FGAERO CCn1cc(C2CCN(C(=O)NCC[C@H](C)[NH+]3CCCCC3)CC2)cn1 ZINC000182657840 495651844 /nfs/dbraw/zinc/65/18/44/495651844.db2.gz DPOWWMIOEXCKFZ-KRWDZBQOSA-N 1 0 361.534 3.057 10 0 FGAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2csc(-c3ccccn3)n2)C12CCOCC2 ZINC000185665378 495669734 /nfs/dbraw/zinc/66/97/34/495669734.db2.gz PFIDUWJZPGEZDC-IAGOWNOFSA-N 1 0 359.495 3.269 10 0 FGAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(OC)cc3c2O[C@H](C)C3)C12CCOCC2 ZINC000185672375 495672916 /nfs/dbraw/zinc/67/29/16/495672916.db2.gz XAFQFRONDSIXFA-NIKGAXFTSA-N 1 0 361.482 3.082 10 0 FGAERO CC(C)CC(=O)Nc1ccc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1F ZINC000173744791 495674291 /nfs/dbraw/zinc/67/42/91/495674291.db2.gz RGMYOFOUZXXOQB-GOEBONIOSA-N 1 0 361.461 3.119 10 0 FGAERO CCc1c(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cnn1-c1ccccc1C ZINC000185678416 495675583 /nfs/dbraw/zinc/67/55/83/495675583.db2.gz UDWJZJRQOOGFIC-DLBZAZTESA-N 1 0 352.482 3.052 10 0 FGAERO C[NH+](C)Cc1ccc(N2CCN(C(=O)CC3CCCCCC3)CC2)nc1 ZINC000176519106 495679976 /nfs/dbraw/zinc/67/99/76/495679976.db2.gz VVZFWYMQOAQEEO-UHFFFAOYSA-N 1 0 358.530 3.152 10 0 FGAERO C[NH+](C)C[C@@H]1CN(C(=O)c2ccccc2Sc2ccccc2)CCO1 ZINC000173791809 495695643 /nfs/dbraw/zinc/69/56/43/495695643.db2.gz OQZLNQZREBMTRM-MRXNPFEDSA-N 1 0 356.491 3.240 10 0 FGAERO FC(F)Oc1cccc(CNCc2nc(COc3ccccc3)n[nH]2)c1 ZINC000185756211 495712681 /nfs/dbraw/zinc/71/26/81/495712681.db2.gz PRZKPWLDBMPITN-UHFFFAOYSA-N 1 0 360.364 3.275 10 0 FGAERO Cc1csc([C@@H]2CCCN(C(=O)NC[C@@H](C)[N@@H+]3CCC[C@H](C)C3)C2)n1 ZINC000173843484 495715968 /nfs/dbraw/zinc/71/59/68/495715968.db2.gz UIEPMEAADPGALF-USXIJHARSA-N 1 0 364.559 3.461 10 0 FGAERO CCOCC[N@@H+]1CCN(C(=O)C[C@@H](C)c2ccc(OC)cc2)C[C@H]1CC ZINC000176607490 495717721 /nfs/dbraw/zinc/71/77/21/495717721.db2.gz LITUMZGKEWADCE-IEBWSBKVSA-N 1 0 362.514 3.148 10 0 FGAERO C[C@H](NC[C@H](O)C[NH+]1CCCCC1)c1cc(Cl)ccc1OC(F)F ZINC000151321004 495804298 /nfs/dbraw/zinc/80/42/98/495804298.db2.gz QVUOQIZXXUVQAN-JSGCOSHPSA-N 1 0 362.848 3.439 10 0 FGAERO CC(C)Cc1noc(CN2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)n1 ZINC000185998215 495815491 /nfs/dbraw/zinc/81/54/91/495815491.db2.gz UDJZVLHCHDETPW-ZNMIVQPWSA-N 1 0 364.490 3.003 10 0 FGAERO Cc1nc(C[C@@H]2CCC[N@H+](Cc3c(C4CC4)nc4sccn34)C2)no1 ZINC000179999359 495817472 /nfs/dbraw/zinc/81/74/72/495817472.db2.gz CNNRNBUHJRCTBX-ZDUSSCGKSA-N 1 0 357.483 3.419 10 0 FGAERO Cc1nccn1CCCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000186040063 495832690 /nfs/dbraw/zinc/83/26/90/495832690.db2.gz ZWZPZEBSUJWSIT-KSZLIROESA-N 1 0 362.518 3.207 10 0 FGAERO CN(C)C(=O)Sc1cccc(C[NH+]2CCC(Nc3cccnn3)CC2)c1 ZINC000176916599 495840579 /nfs/dbraw/zinc/84/05/79/495840579.db2.gz JANMRWYLPGFLKK-UHFFFAOYSA-N 1 0 371.510 3.327 10 0 FGAERO Cc1csc([C@H]2CCCN(C(=O)NC[C@@H](C)C[NH+]3CCCCC3)C2)n1 ZINC000174172004 495849228 /nfs/dbraw/zinc/84/92/28/495849228.db2.gz BOTPQBDCHKNURU-WBVHZDCISA-N 1 0 364.559 3.463 10 0 FGAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1N1CCCCC1 ZINC000183148603 495855220 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CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1nc3ccc(Cl)cc3n1C)CC2 ZINC000180168298 495889591 /nfs/dbraw/zinc/88/95/91/495889591.db2.gz AAQASQBSAWDRBF-WCQYABFASA-N 1 0 358.877 3.046 10 0 FGAERO C[C@@H](c1cccc(Br)c1)[N@@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000151613435 495895274 /nfs/dbraw/zinc/89/52/74/495895274.db2.gz ZQJHSFBJEJRVIM-KEYYUXOJSA-N 1 0 353.304 3.163 10 0 FGAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(OC(F)F)c2)C12CCOCC2 ZINC000186228106 495905184 /nfs/dbraw/zinc/90/51/84/495905184.db2.gz JEIJCNZTDXIVTR-IAGOWNOFSA-N 1 0 371.424 3.360 10 0 FGAERO CC(C)c1nc([C@@H](C)NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)cs1 ZINC000186238309 495909652 /nfs/dbraw/zinc/90/96/52/495909652.db2.gz QMEXZLYTJVTGHW-QAPCUYQASA-N 1 0 359.539 3.336 10 0 FGAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccnc(OCC(F)(F)F)c2)C12CCOCC2 ZINC000186244713 495911008 /nfs/dbraw/zinc/91/10/08/495911008.db2.gz OZNCQKRXQBIHPJ-HUUCEWRRSA-N 1 0 374.403 3.087 10 0 FGAERO CCO[C@@H]1C[C@H]([NH2+]Cc2ccnc(OCC(F)(F)F)c2)C12CCOCC2 ZINC000186244678 495911359 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CCC[C@@]1(C(=O)Nc2ccc(I)cc2)CCC[NH2+]C1 ZINC000062853199 221140890 /nfs/dbraw/zinc/14/08/90/221140890.db2.gz GRNXRPXFPSZGBM-OAHLLOKOSA-N 1 0 372.250 3.400 10 0 FGAERO CC(C)CCNC(=O)c1ccc(N2CC[NH2+][C@H](c3ccccc3)C2)nc1 ZINC000065256050 221189292 /nfs/dbraw/zinc/18/92/92/221189292.db2.gz MOYJFKJUAHGNJT-IBGZPJMESA-N 1 0 352.482 3.008 10 0 FGAERO Cc1nc2ccc(Cl)cn2c1C(=O)N1CCCC2(CC[NH2+]CC2)CC1 ZINC000067817585 221289999 /nfs/dbraw/zinc/28/99/99/221289999.db2.gz MBEQKKUBEDNTOY-UHFFFAOYSA-N 1 0 360.889 3.292 10 0 FGAERO C[C@H](Cc1ccccc1F)C(=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190580715 257369113 /nfs/dbraw/zinc/36/91/13/257369113.db2.gz IJWYYLDTGNHTNB-IEBWSBKVSA-N 1 0 369.484 3.380 10 0 FGAERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cccc(-n3ccnc3)c2)C12CCOCC2 ZINC000249021726 257371298 /nfs/dbraw/zinc/37/12/98/257371298.db2.gz QTFWVPPBZYNURR-LSTHTHJFSA-N 1 0 355.482 3.497 10 0 FGAERO Cc1nc2c(c(NCc3ccccc3C[N@@H+]3CCC[C@@H]3CO)n1)CCCC2 ZINC000302076286 257383680 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C[C@@H]([NH2+][C@@H](C)c1ccc2ccccc2c1)C(=O)NC(=O)NCC(F)(F)F ZINC000028352487 493786952 /nfs/dbraw/zinc/78/69/52/493786952.db2.gz CVQYAJVJGPJBHR-NWDGAFQWSA-N 1 0 367.371 3.267 10 0 FGAERO CC(=O)Nc1ccc(C)c(NC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)c1 ZINC000048273667 493810378 /nfs/dbraw/zinc/81/03/78/493810378.db2.gz QOSNUIJXLNGQFG-IBGZPJMESA-N 1 0 354.454 3.378 10 0 FGAERO Cc1ccccc1C(=O)N[C@H](C(=O)NCCC[N@@H+]1CCCC[C@@H]1C)C(C)C ZINC000057997122 493820110 /nfs/dbraw/zinc/82/01/10/493820110.db2.gz IGCAZXCCAYDCQS-ICSRJNTNSA-N 1 0 373.541 3.130 10 0 FGAERO CC(=O)Nc1cc(NC(=O)N[C@H](C[NH+](C)C)c2ccccc2)ccc1C ZINC000048364803 493820445 /nfs/dbraw/zinc/82/04/45/493820445.db2.gz KLAFEEAUEFCCFK-LJQANCHMSA-N 1 0 354.454 3.378 10 0 FGAERO C[C@H](NC(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(Cl)c(Cl)c1 ZINC000049787953 493884590 /nfs/dbraw/zinc/88/45/90/493884590.db2.gz VTNXTDVESXRFJO-GXTWGEPZSA-N 1 0 374.312 3.200 10 0 FGAERO Cc1nn(C)cc1[C@@H](C)NC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000069305381 493953162 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C[C@@H]1CCC[N@H+](CCOc2ccccc2CN2CCn3cncc3C2)C1 ZINC000072154743 494137183 /nfs/dbraw/zinc/13/71/83/494137183.db2.gz GLODTYQRRWOTSE-GOSISDBHSA-N 1 0 354.498 3.010 10 0 FGAERO CCCn1ccnc1CN1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072153462 494137332 /nfs/dbraw/zinc/13/73/32/494137332.db2.gz PEJJQTFCQMFUJA-KSEOMHKRSA-N 1 0 350.510 3.355 10 0 FGAERO O=C(C[N@@H+]1CCC[C@H]2CCCC[C@@H]21)Nc1cccc(N2CCCC2=O)c1 ZINC000010226588 494146301 /nfs/dbraw/zinc/14/63/01/494146301.db2.gz MLKKZEHKUUGIKI-APWZRJJASA-N 1 0 355.482 3.407 10 0 FGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000077729922 494160122 /nfs/dbraw/zinc/16/01/22/494160122.db2.gz XRWLTVJAQXUBDA-MJGOQNOKSA-N 1 0 374.529 3.023 10 0 FGAERO O=C(NCc1ccccc1)c1cccc(N2CC[NH2+][C@H](c3ccccc3)C2)n1 ZINC000065256237 494183551 /nfs/dbraw/zinc/18/35/51/494183551.db2.gz WZOPXONOCXRKEO-NRFANRHFSA-N 1 0 372.472 3.163 10 0 FGAERO C[C@H](CNC(=O)c1ccco1)Oc1cccc(C[NH+]2CCSCC2)c1 ZINC000012451493 494234868 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FGAERO CSc1cccc(NC(=O)C[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)c1 ZINC000194030847 713508247 /nfs/dbraw/zinc/50/82/47/713508247.db2.gz RNHGJRBSLUOTNS-ZDUSSCGKSA-N 1 0 358.463 3.469 10 0 FGAERO CCCCOC[C@H](O)C[NH+]1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000195176302 713548054 /nfs/dbraw/zinc/54/80/54/713548054.db2.gz SXSOBNIUWAVCDJ-RTBURBONSA-N 1 0 355.906 3.263 10 0 FGAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)COc1cc(Cl)c(Cl)cc1Cl ZINC000237818838 713597649 /nfs/dbraw/zinc/59/76/49/713597649.db2.gz GCOZXZILQGVEQB-PRHODGIISA-N 1 0 351.661 3.269 10 0 FGAERO CCOCC[N@@H+]1CCN(Cc2cccc(SC(=O)N(C)C)c2)C[C@H]1C ZINC000246181493 713618990 /nfs/dbraw/zinc/61/89/90/713618990.db2.gz UBMJKNDPHWLXGH-MRXNPFEDSA-N 1 0 365.543 3.003 10 0 FGAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)Nc2ccc(N3CCSCC3)cc2)C1 ZINC000246595396 713627073 /nfs/dbraw/zinc/62/70/73/713627073.db2.gz ZDQJIWZIKUQGGA-MAUKXSAKSA-N 1 0 362.543 3.090 10 0 FGAERO O[C@@H](C[N@@H+]1CC[C@@H](Oc2cccnc2)C1)c1ccccc1Br ZINC000246686728 713628932 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CC[NH+]1CCN(Cc2cc(C)c(I)cc2C)CC1 ZINC000675075115 721726825 /nfs/dbraw/zinc/72/68/25/721726825.db2.gz GYHHSSGVZLQQJN-UHFFFAOYSA-N 1 0 358.267 3.046 10 0 FGAERO CCn1nc(C)c([C@H](C)[NH2+]CC2CC(NC(=O)OC(C)(C)C)C2)c1C ZINC000715155498 722415787 /nfs/dbraw/zinc/41/57/87/722415787.db2.gz UBPFQMVBTCEWOK-JQRITLKVSA-N 1 0 350.507 3.474 10 0 FGAERO CC(C)(C)OC(=O)NC1CC(C[NH2+]CCOC(F)(F)C(F)(F)F)C1 ZINC000720232518 722419146 /nfs/dbraw/zinc/41/91/46/722419146.db2.gz WIGSUGFEQGEKKC-UHFFFAOYSA-N 1 0 362.339 3.051 10 0 FGAERO Cc1nc([C@@H]2C[C@@H](O)[C@@H](C[NH2+]Cc3cccc(Cl)c3Cl)C2)n[nH]1 ZINC000828114508 729440194 /nfs/dbraw/zinc/44/01/94/729440194.db2.gz SSOBIQCSYSKFLF-OUCADQQQSA-N 1 0 355.269 3.064 10 0 FGAERO CC(C)C[N@H+](CCN1CCN(C(=O)OC(C)C)CC1)C1CCCCC1 ZINC000022596161 210235438 /nfs/dbraw/zinc/23/54/38/210235438.db2.gz JROZRFCTPPFSFT-UHFFFAOYSA-N 1 0 353.551 3.440 10 0 FGAERO COc1ccccc1O[C@H]1CC[N@H+](CCCOC(=O)c2ccccc2)C1 ZINC000003617028 210229862 /nfs/dbraw/zinc/22/98/62/210229862.db2.gz WPRKZKZSTXEDGR-SFHVURJKSA-N 1 0 355.434 3.395 10 0 FGAERO Cc1cc2c(s1)CC[C@H](C[NH2+][C@@H]1CC[C@@H](Oc3ccccc3)[C@@H]1O)C2=O ZINC000004635730 210228596 /nfs/dbraw/zinc/22/85/96/210228596.db2.gz IMKMRGOTDDUQHF-HAXDFEGKSA-N 1 0 371.502 3.362 10 0 in-man FGAERO Cc1ccc(CN2CCC([N@@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)s1 ZINC000023338716 211384886 /nfs/dbraw/zinc/38/48/86/211384886.db2.gz RTFIFMMZPBIWJB-INIZCTEOSA-N 1 0 361.555 3.012 10 0 FGAERO O[C@H](C[NH2+]Cc1ccc(Br)s1)COc1ccccc1F ZINC000037984883 211337530 /nfs/dbraw/zinc/33/75/30/211337530.db2.gz DUNPXEUADODKRS-SNVBAGLBSA-N 1 0 360.248 3.179 10 0 FGAERO Cc1ccc(C[NH+]2CCC(n3cc(C(=O)N4CCCCC4)nn3)CC2)s1 ZINC000014996383 211112860 /nfs/dbraw/zinc/11/28/60/211112860.db2.gz HWITXWYGAPQLAZ-UHFFFAOYSA-N 1 0 373.526 3.111 10 0 FGAERO CCN1CCC([N@@H+]2CC[C@]3(C2)CCCN(Cc2cccc(C)c2)C3=O)CC1 ZINC000020207151 220318500 /nfs/dbraw/zinc/31/85/00/220318500.db2.gz CTRPDSVIASVSBL-QHCPKHFHSA-N 1 0 369.553 3.294 10 0 FGAERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccccc2-n2cccn2)C12CCOCC2 ZINC000249045213 257371235 /nfs/dbraw/zinc/37/12/35/257371235.db2.gz VTRLRERGJWDXPF-LSTHTHJFSA-N 1 0 355.482 3.497 10 0 FGAERO CC[C@@H]1C[N@H+](C)[C@H]2Cc3c4ccccc4[nH]c3C(=O)C[C@H]1[C@H]2C(=O)OC ZINC000102932215 222314796 /nfs/dbraw/zinc/31/47/96/222314796.db2.gz FFVRRQMGGGTQRH-FXMYGGSYSA-N 1 0 354.450 3.042 10 0 FGAERO CC[N@@H+]1CCC[C@@H](NC(=O)N(C)Cc2cc(Br)ccc2F)C1 ZINC000057617698 493778922 /nfs/dbraw/zinc/77/89/22/493778922.db2.gz DMDSGBDIZNGVNZ-CQSZACIVSA-N 1 0 372.282 3.214 10 0 FGAERO O[C@H](COCc1ccccc1)C[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000075865113 493787856 /nfs/dbraw/zinc/78/78/56/493787856.db2.gz IQGUKSLWNKHFCJ-YADHBBJMSA-N 1 0 355.478 3.103 10 0 FGAERO CO[C@@H]1CCC[N@H+](C[C@H](O)COC(c2ccccc2)c2ccccc2)C1 ZINC000076346129 493871966 /nfs/dbraw/zinc/87/19/66/493871966.db2.gz DQXYJCCRQBIGHT-LEWJYISDSA-N 1 0 355.478 3.264 10 0 FGAERO CC(C)c1ccc([C@@H]2C[C@H]2C(=O)NCC2CC[NH+](CCN(C)C)CC2)cc1 ZINC000077001070 494007533 /nfs/dbraw/zinc/00/75/33/494007533.db2.gz HIZIYVMFZJGNEF-FCHUYYIVSA-N 1 0 371.569 3.303 10 0 FGAERO CCOc1ccc([C@H](O)C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)cc1 ZINC000070459698 494044248 /nfs/dbraw/zinc/04/42/48/494044248.db2.gz IZIUFRUWGRXQQT-GOSISDBHSA-N 1 0 364.486 3.108 10 0 FGAERO C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCO2)C(=O)Nc1ccc(F)cc1F ZINC000052658467 494051443 /nfs/dbraw/zinc/05/14/43/494051443.db2.gz VQYFLJQJHNKRNW-RYUDHWBXSA-N 1 0 362.376 3.414 10 0 FGAERO CCc1ccc([C@@H](C)NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000077335073 494059853 /nfs/dbraw/zinc/05/98/53/494059853.db2.gz LOCWJUHBFLVIBE-AEFFLSMTSA-N 1 0 359.514 3.110 10 0 FGAERO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)COc2cccc(Br)c2)o1 ZINC000038097813 494111525 /nfs/dbraw/zinc/11/15/25/494111525.db2.gz HJRUPKKCWKTHPA-OCCSQVGLSA-N 1 0 354.244 3.441 10 0 FGAERO O=C(c1cn([C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)nn1)N1CCCC1 ZINC000011966449 494197938 /nfs/dbraw/zinc/19/79/38/494197938.db2.gz XEJSGNOGNJVQNP-INIZCTEOSA-N 1 0 373.888 3.005 10 0 FGAERO C[C@@H](NC(=O)NCCC[NH+]1CCCCC1)c1cccc(-n2ccnc2)c1 ZINC000073536409 494384731 /nfs/dbraw/zinc/38/47/31/494384731.db2.gz GJFOAXKSWXVJOO-QGZVFWFLSA-N 1 0 355.486 3.109 10 0 FGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N[C@H](C)c1cccc(-n2cccn2)c1 ZINC000073722377 494417848 /nfs/dbraw/zinc/41/78/48/494417848.db2.gz NEFODVMUMSOFJE-AEFFLSMTSA-N 1 0 357.502 3.209 10 0 FGAERO C[C@H](NC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1Br ZINC000079219550 494421292 /nfs/dbraw/zinc/42/12/92/494421292.db2.gz VWXDYJYFUXYLRT-QWHCGFSZSA-N 1 0 366.303 3.294 10 0 FGAERO CC(C)COC1CC[NH+](C[C@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000079391398 494445131 /nfs/dbraw/zinc/44/51/31/494445131.db2.gz XQRILOXDLPMNFS-SFHVURJKSA-N 1 0 355.906 3.355 10 0 FGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCN(c2ccccc2Cl)CC1 ZINC000079495259 494464671 /nfs/dbraw/zinc/46/46/71/494464671.db2.gz DFRXLACVNOKZEJ-INIZCTEOSA-N 1 0 366.937 3.148 10 0 FGAERO COc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NCc2ccc(C)cc2)cc1OC ZINC000056181940 494467074 /nfs/dbraw/zinc/46/70/74/494467074.db2.gz PTMLYCXBLGDFIS-HOTGVXAUSA-N 1 0 356.466 3.368 10 0 FGAERO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCCOc1cccc(C(F)(F)F)c1 ZINC000056268122 494479730 /nfs/dbraw/zinc/47/97/30/494479730.db2.gz SPKLNWKUTHUZIH-MRXNPFEDSA-N 1 0 358.404 3.417 10 0 FGAERO Cc1c(Br)cccc1C(=O)N1C[C@@H]2CCCC[N@H+]2C[C@@H]1C ZINC000090896643 494502898 /nfs/dbraw/zinc/50/28/98/494502898.db2.gz QPRCTHZAURYEJF-JSGCOSHPSA-N 1 0 351.288 3.456 10 0 FGAERO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)C[C@H](O)COCc1ccc(Cl)cc1 ZINC000125987862 494597075 /nfs/dbraw/zinc/59/70/75/494597075.db2.gz SDBYZHCLCHQPDH-YWZLYKJASA-N 1 0 363.885 3.486 10 0 FGAERO CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@@H](C)c2ccccc2C)[C@H](C)C1 ZINC000115702447 494599100 /nfs/dbraw/zinc/59/91/00/494599100.db2.gz QFRHFIOYUUEBMG-HBFSDRIKSA-N 1 0 361.530 3.492 10 0 FGAERO C[C@@H](NC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)c1ccccc1Br ZINC000115785138 494621163 /nfs/dbraw/zinc/62/11/63/494621163.db2.gz IKIQQYYTOVWZSP-ZIAGYGMSSA-N 1 0 368.319 3.493 10 0 FGAERO COc1ccc(CCCNC(=O)N[C@H](C[NH+](C)C)c2ccccc2)cc1 ZINC000057390256 494730415 /nfs/dbraw/zinc/73/04/15/494730415.db2.gz SCQQFVPNXBKSRX-HXUWFJFHSA-N 1 0 355.482 3.230 10 0 FGAERO CC[NH+](CC)[C@@H](C)CNC(=O)CCCc1nc(-c2ccc(F)cc2)no1 ZINC000108653201 494755706 /nfs/dbraw/zinc/75/57/06/494755706.db2.gz GYQYHNFFCCFLBY-AWEZNQCLSA-N 1 0 362.449 3.045 10 0 FGAERO Cn1cc([C@@H]2CC[N@H+](CC(=O)N(Cc3cccc(F)c3)C(C)(C)C)C2)cn1 ZINC000116310158 494757292 /nfs/dbraw/zinc/75/72/92/494757292.db2.gz GOSOTPKKMUHZTK-QGZVFWFLSA-N 1 0 372.488 3.176 10 0 FGAERO CCCOc1ccc(Cl)cc1NC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000047760099 494771974 /nfs/dbraw/zinc/77/19/74/494771974.db2.gz QTNRAAVFTGAWDI-HNNXBMFYSA-N 1 0 369.893 3.097 10 0 FGAERO OCc1cc(-c2ccc3[nH+]ccc(N4CCOCC4)c3c2)cnc1Cl ZINC000116476286 494794599 /nfs/dbraw/zinc/79/45/99/494794599.db2.gz QGIRRZLCNUTPLP-UHFFFAOYSA-N 1 0 355.825 3.279 10 0 FGAERO C[C@@H](O)C1CC[NH+](Cc2cc(Cl)ccc2OC[C@H]2CCCO2)CC1 ZINC000092969319 494797184 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O[C@H](COCc1ccccc1)C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000026780838 494837937 /nfs/dbraw/zinc/83/79/37/494837937.db2.gz JRFGMSWFVKEHKT-FQEVSTJZSA-N 1 0 360.885 3.040 10 0 FGAERO COc1cc(C[NH+]2CCC(N(C)c3cccnn3)CC2)ccc1OC(C)C ZINC000093272445 494854613 /nfs/dbraw/zinc/85/46/13/494854613.db2.gz HTLYIEDTWABUPO-UHFFFAOYSA-N 1 0 370.497 3.373 10 0 FGAERO C[NH+](C)C[C@@H](NC(=O)Cc1cc(Cl)c2c(c1)OCCO2)c1ccccc1 ZINC000027150669 494855238 /nfs/dbraw/zinc/85/52/38/494855238.db2.gz GORHSVAPUWJJNG-QGZVFWFLSA-N 1 0 374.868 3.073 10 0 FGAERO Cc1cnn([C@@H]2CCCN(C(=O)c3cccc(C[NH+]4CCCC4)c3)C2)c1 ZINC000109682810 494907241 /nfs/dbraw/zinc/90/72/41/494907241.db2.gz MHCHQTSAUCWSTP-HXUWFJFHSA-N 1 0 352.482 3.265 10 0 FGAERO COCCCOc1cccc(C[N@@H+]2CCC[C@@H](Cn3nc(C)nc3C)C2)c1 ZINC000122034726 494913759 /nfs/dbraw/zinc/91/37/59/494913759.db2.gz FAPBFLQYMZYIKS-HXUWFJFHSA-N 1 0 372.513 3.222 10 0 FGAERO O[C@H](COCc1ccccc1)C[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000117432436 494918425 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Cn1cc([C@@H]2CC[N@H+](Cc3nc4cc(C(F)(F)F)ccc4n3C)C2)cn1 ZINC000128427474 495094868 /nfs/dbraw/zinc/09/48/68/495094868.db2.gz JDRWGTDQOMRBIZ-GFCCVEGCSA-N 1 0 363.387 3.315 10 0 FGAERO C[C@H](C[NH2+][C@@H]1CCCc2nc(-c3ccccc3)sc21)N1CCOCC1 ZINC000123272467 495106840 /nfs/dbraw/zinc/10/68/40/495106840.db2.gz WZAKNJLIPCMTAI-NVXWUHKLSA-N 1 0 357.523 3.498 10 0 FGAERO Cc1nc2c(s1)[C@H](N(C)C(=O)N[C@@H](CC(C)C)C[NH+](C)C)CCC2 ZINC000111826705 495117218 /nfs/dbraw/zinc/11/72/18/495117218.db2.gz DNKWBCZNJUPLDD-GOEBONIOSA-N 1 0 352.548 3.447 10 0 FGAERO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H]1CCc2[nH]c3ccc(OC)cc3c2C1 ZINC000123367252 495121246 /nfs/dbraw/zinc/12/12/46/495121246.db2.gz AOEFBRBWEMISES-DJJJIMSYSA-N 1 0 365.481 3.312 10 0 FGAERO CCOc1cc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)ccc1OC(F)F ZINC000128610268 495123594 /nfs/dbraw/zinc/12/35/94/495123594.db2.gz DKDAKSZWDWONFG-OAHLLOKOSA-N 1 0 366.412 3.190 10 0 FGAERO C[C@H](C[NH2+][C@@H]1C[C@@H](C)c2c1cccc2Br)N1CCOCC1 ZINC000123451282 495134127 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3.399 10 0 FGAERO CC(C)[N@H+]1C[C@H](NC(=O)N[C@@H](C)c2cccc(N3CCCC3)c2)[C@@H](C)C1 ZINC000124035335 495225258 /nfs/dbraw/zinc/22/52/58/495225258.db2.gz IHHZCKJUDWLVAY-ZWOKBUDYSA-N 1 0 358.530 3.376 10 0 FGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cc(F)c(F)cc1Br ZINC000129605051 495269750 /nfs/dbraw/zinc/26/97/50/495269750.db2.gz HJMKKTSGEPOXKO-JTQLQIEISA-N 1 0 363.246 3.433 10 0 FGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccccc1C(=O)c1cccs1 ZINC000113227862 495285740 /nfs/dbraw/zinc/28/57/40/495285740.db2.gz LQTWUYYBTMVKOU-LSDHHAIUSA-N 1 0 354.475 3.288 10 0 FGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000113226552 495286110 /nfs/dbraw/zinc/28/61/10/495286110.db2.gz VBDKPWWAZDILIN-XJKSGUPXSA-N 1 0 374.872 3.018 10 0 FGAERO Clc1cc2cccnc2c(C[NH2+][C@H]2CCCN(c3cccnn3)C2)c1 ZINC000113440389 495305990 /nfs/dbraw/zinc/30/59/90/495305990.db2.gz SADQUFRZJVEASO-KRWDZBQOSA-N 1 0 353.857 3.437 10 0 FGAERO Cc1nccn1C[C@@H]1CCCN1C(=O)Nc1cccnc1Br ZINC000120126001 495312106 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CCc1sc(C(=O)N2CCN(c3ccc(C[NH+](C)C)cn3)CC2)cc1C ZINC000114414453 495370255 /nfs/dbraw/zinc/37/02/55/495370255.db2.gz CJFLXELJAGLCFF-UHFFFAOYSA-N 1 0 372.538 3.038 10 0 FGAERO O=C(NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)[C@@H]1C[C@H]1C1CCCCC1 ZINC000125219571 495408051 /nfs/dbraw/zinc/40/80/51/495408051.db2.gz JEZMOZIZTPWZQN-BHIFYINESA-N 1 0 370.537 3.476 10 0 FGAERO CC1(C)OC(=O)C(=C(NCc2ccccc2)Nc2ccc(F)cc2)C(=O)O1 ZINC000136895570 495408551 /nfs/dbraw/zinc/40/85/51/495408551.db2.gz HUQMHMUJAAZJGV-UHFFFAOYSA-N 1 0 370.380 3.075 10 0 FGAERO CCCOc1c(Cl)cc(CN2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)cc1OC ZINC000120595369 495413408 /nfs/dbraw/zinc/41/34/08/495413408.db2.gz FDUSDSJQFYHIKW-HUUCEWRRSA-N 1 0 370.921 3.024 10 0 FGAERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3ccccc3OC(F)F)C2)n1 ZINC000106178306 495424774 /nfs/dbraw/zinc/42/47/74/495424774.db2.gz KTBQOVNWHYKUDB-OAHLLOKOSA-N 1 0 350.413 3.409 10 0 FGAERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](CCCOCCc3ccccc3)C2)n1 ZINC000106178063 495425681 /nfs/dbraw/zinc/42/56/81/495425681.db2.gz NTLCKKNSINQTAB-OAQYLSRUSA-N 1 0 356.514 3.256 10 0 FGAERO CC(C)(C)N(Cc1ccccc1)C(=O)C[NH+]1CCC(Cn2cccn2)CC1 ZINC000106184752 495426539 /nfs/dbraw/zinc/42/65/39/495426539.db2.gz PZCOWSONUAFTKA-UHFFFAOYSA-N 1 0 368.525 3.422 10 0 FGAERO CCN(Cc1cccc(F)c1)C(=O)C[N@@H+]1CCC[C@H]1c1c(C)nn(C)c1C ZINC000106209575 495431643 /nfs/dbraw/zinc/43/16/43/495431643.db2.gz JNQZZQRXGRFSOK-IBGZPJMESA-N 1 0 372.488 3.362 10 0 FGAERO CCc1nccn1[C@H]1CCC[N@H+](CC(=O)N2c3ccccc3CC[C@@H]2C)C1 ZINC000106214629 495432953 /nfs/dbraw/zinc/43/29/53/495432953.db2.gz FTVUNMSILCXKRS-HKUYNNGSSA-N 1 0 366.509 3.450 10 0 FGAERO CCc1nccn1[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(C(C)=O)cc2)C1 ZINC000106214374 495433203 /nfs/dbraw/zinc/43/32/03/495433203.db2.gz YDQCDEKQRXKQPF-IBGZPJMESA-N 1 0 368.481 3.314 10 0 FGAERO CCc1nccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N2CCc3ccccc32)C1 ZINC000106216938 495434041 /nfs/dbraw/zinc/43/40/41/495434041.db2.gz MNNROAXVLLYDFW-WMZOPIPTSA-N 1 0 352.482 3.060 10 0 FGAERO O=C(NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)c1ccccc1F ZINC000115157208 495468420 /nfs/dbraw/zinc/46/84/20/495468420.db2.gz OSOLKBKDSLCNKO-HXUWFJFHSA-N 1 0 356.441 3.001 10 0 FGAERO Cc1ccc(C(=O)NCC2CC[NH+](C[C@H](O)c3ccccc3)CC2)cc1 ZINC000115158145 495469703 /nfs/dbraw/zinc/46/97/03/495469703.db2.gz DHEVMAQWXGAAHH-NRFANRHFSA-N 1 0 352.478 3.170 10 0 FGAERO CC(=O)Nc1ccc(Cl)c(NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)c1 ZINC000120848412 495469950 /nfs/dbraw/zinc/46/99/50/495469950.db2.gz OQGBWCWQQIEXJF-BZNIZROVSA-N 1 0 352.866 3.149 10 0 FGAERO C[NH+](C)Cc1ccc(N2CCN(C(=O)[C@@H]3C[C@@H]3C3CCCCC3)CC2)nc1 ZINC000120862535 495473103 /nfs/dbraw/zinc/47/31/03/495473103.db2.gz AVQAGAMKXMHHGA-WOJBJXKFSA-N 1 0 370.541 3.008 10 0 FGAERO Cc1cc(-c2cc(C(=O)N3CCCC[C@H]3C[NH3+])c3c(C)noc3n2)c(C)o1 ZINC000131018089 495479696 /nfs/dbraw/zinc/47/96/96/495479696.db2.gz DARDAFMGDYHTET-AWEZNQCLSA-N 1 0 368.437 3.361 10 0 FGAERO C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000140420347 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FGAERO CCN(C(=O)[C@H](C)[NH+]1CCC(c2nncn2CC)CC1)C1CCCCC1 ZINC000155423563 495952648 /nfs/dbraw/zinc/95/26/48/495952648.db2.gz QVLQXQFZWKGEHK-INIZCTEOSA-N 1 0 361.534 3.047 10 0 FGAERO CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+][C@@H](C)c2ccccc2C)CC1 ZINC000183378193 495954334 /nfs/dbraw/zinc/95/43/34/495954334.db2.gz DSDGONSLGYUDCZ-SJORKVTESA-N 1 0 360.498 3.226 10 0 FGAERO Cc1ccnc(-c2ccc(NC(=O)N3C[C@@H]4CCC[N@H+]4C[C@@H]3C)cc2)n1 ZINC000177167605 495956799 /nfs/dbraw/zinc/95/67/99/495956799.db2.gz DVEMRFDDEPMILK-YJBOKZPZSA-N 1 0 351.454 3.152 10 0 FGAERO CC/C(=C\C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1)c1ccc(OC)cc1 ZINC000180356003 495964108 /nfs/dbraw/zinc/96/41/08/495964108.db2.gz BZQLUJGGSFEYQQ-WFVLPUPGSA-N 1 0 374.525 3.040 10 0 FGAERO C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000171646437 495966198 /nfs/dbraw/zinc/96/61/98/495966198.db2.gz IVXCWQYWXYKZFT-RCCFBDPRSA-N 1 0 352.482 3.081 10 0 FGAERO CC(C)[N@H+]1C[C@H](NC(=O)c2cnn(Cc3ccccc3Cl)c2)[C@@H](C)C1 ZINC000155473508 495967649 /nfs/dbraw/zinc/96/76/49/495967649.db2.gz MLUVYHCSDLYBLF-KSSFIOAISA-N 1 0 360.889 3.043 10 0 FGAERO CCO[C@@H]1C[C@@H]([NH2+]CCc2nc(-c3ccccn3)cs2)C12CCOCC2 ZINC000186410906 495988655 /nfs/dbraw/zinc/98/86/55/495988655.db2.gz JJPXICDLQHLYFJ-QZTJIDSGSA-N 1 0 373.522 3.311 10 0 FGAERO CCO[C@H]1C[C@@H]([NH2+]CCc2cn(C)c3cc(F)ccc23)C12CCOCC2 ZINC000186411467 495988687 /nfs/dbraw/zinc/98/86/87/495988687.db2.gz CALQVQQOMNYMBJ-UXHICEINSA-N 1 0 360.473 3.424 10 0 FGAERO O=C1[C@@H]([NH2+][C@H](CO)c2ccccc2)CCN1c1ccccc1C(F)(F)F ZINC000186462008 496007586 /nfs/dbraw/zinc/00/75/86/496007586.db2.gz QZTYEXIRISNGCG-JKSUJKDBSA-N 1 0 364.367 3.134 10 0 FGAERO COc1cccc(OCCCNC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)c1 ZINC000155635688 496020463 /nfs/dbraw/zinc/02/04/63/496020463.db2.gz KLULXOTXIJJYFV-FQEVSTJZSA-N 1 0 371.481 3.066 10 0 FGAERO C[C@H](CC[NH2+][C@H](C)c1ccc(-n2cncn2)cc1)NC(=O)OC(C)(C)C ZINC000180517010 496028623 /nfs/dbraw/zinc/02/86/23/496028623.db2.gz UAQVAEHCYRSKAM-HUUCEWRRSA-N 1 0 359.474 3.221 10 0 FGAERO COc1cc(C)c([C@@H](C)[NH2+][C@@H]2CCc3nnc(C(C)C)n3C2)cc1OC ZINC000180533994 496034461 /nfs/dbraw/zinc/03/44/61/496034461.db2.gz UNWDPCBBYANPBY-HUUCEWRRSA-N 1 0 358.486 3.393 10 0 FGAERO CNc1cc(N2CCC[C@H]2C[NH2+][C@H](CC(C)C)c2ccccn2)ncn1 ZINC000180573264 496049732 /nfs/dbraw/zinc/04/97/32/496049732.db2.gz MULDWURBHDEQSN-FUHWJXTLSA-N 1 0 354.502 3.259 10 0 FGAERO O=C(NC[C@H](O)C[NH+]1CCCCC1)N[C@H](CC1CCC1)c1ccccc1 ZINC000183619372 496051053 /nfs/dbraw/zinc/05/10/53/496051053.db2.gz ZVADAWHQHDMPFW-VQTJNVASSA-N 1 0 359.514 3.064 10 0 FGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](CC)c1ccccc1OC(F)F)CC2 ZINC000180609350 496067479 /nfs/dbraw/zinc/06/74/79/496067479.db2.gz YAGRNBDZBAWMSU-OCCSQVGLSA-N 1 0 350.413 3.498 10 0 FGAERO CC(C)[N@H+]1C[C@H](NC(=O)c2cc3c(cccc3OC(F)F)[nH]2)[C@@H](C)C1 ZINC000155791255 496069490 /nfs/dbraw/zinc/06/94/90/496069490.db2.gz RHXHBQLASBSHHD-NHYWBVRUSA-N 1 0 351.397 3.228 10 0 FGAERO CN(C)c1ccc(C(F)(F)F)cc1NC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171887179 496075010 /nfs/dbraw/zinc/07/50/10/496075010.db2.gz DHORJRPEDXYSFP-ZDUSSCGKSA-N 1 0 356.392 3.083 10 0 FGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccccc1OC(F)(F)F)CC2 ZINC000180626717 496075236 /nfs/dbraw/zinc/07/52/36/496075236.db2.gz BBNQUZSQAHXJHU-VXGBXAGGSA-N 1 0 354.376 3.405 10 0 FGAERO Cc1cc(C)c(C(=O)N(C)CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)o1 ZINC000177473033 496075413 /nfs/dbraw/zinc/07/54/13/496075413.db2.gz LUOXFXFNXPILRN-FQEVSTJZSA-N 1 0 370.493 3.414 10 0 FGAERO Cc1ccc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c(OCC(F)(F)F)c1 ZINC000171891684 496077525 /nfs/dbraw/zinc/07/75/25/496077525.db2.gz ZNGYMDZXAWYDAI-CYBMUJFWSA-N 1 0 357.376 3.248 10 0 FGAERO Cc1cc(Sc2ncccn2)ccc1NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171892493 496079349 /nfs/dbraw/zinc/07/93/49/496079349.db2.gz KOVISWAMJPPMQZ-OAHLLOKOSA-N 1 0 369.494 3.248 10 0 FGAERO CCOCC[N@@H+]1CCN(c2cc(-c3nc(C(C)C)no3)ccn2)C[C@H]1CC ZINC000174737868 496082995 /nfs/dbraw/zinc/08/29/95/496082995.db2.gz MJKDVWAYSNDBDC-QGZVFWFLSA-N 1 0 373.501 3.192 10 0 FGAERO CCc1nc(NC(=O)C[NH2+][C@H](C)c2cccc(-n3ccnc3)c2)sc1C ZINC000180658719 496091046 /nfs/dbraw/zinc/09/10/46/496091046.db2.gz WVYGXPULPYRKFF-CYBMUJFWSA-N 1 0 369.494 3.489 10 0 FGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1ccc(F)cc1Br ZINC000177515311 496093690 /nfs/dbraw/zinc/09/36/90/496093690.db2.gz PBJVFJXPWVZKID-AWEZNQCLSA-N 1 0 372.282 3.214 10 0 FGAERO C[C@@H]([NH2+]C[C@@H](O)COCc1ccccc1F)c1cccc(-n2ccnc2)c1 ZINC000180663919 496093639 /nfs/dbraw/zinc/09/36/39/496093639.db2.gz MGFMDQJVIVZANW-OXQOHEQNSA-N 1 0 369.440 3.240 10 0 FGAERO C[C@H]([NH2+]C(C)(C)CNC(=O)N1CCC[C@@H]1Cn1ccnc1)c1ccccc1 ZINC000177518745 496094709 /nfs/dbraw/zinc/09/47/09/496094709.db2.gz AEFNCESNHHWJSK-PKOBYXMFSA-N 1 0 369.513 3.187 10 0 FGAERO C[C@@H]([NH2+]CC(=O)N([C@H](C)C1CC1)C1CC1)c1cccc(-n2ccnc2)c1 ZINC000180666230 496095283 /nfs/dbraw/zinc/09/52/83/496095283.db2.gz STLKXXCVYFFFLN-HZPDHXFCSA-N 1 0 352.482 3.312 10 0 FGAERO C[C@@H]([NH2+]CC(=O)N[C@@H](C)c1cccs1)c1cccc(-n2ccnc2)c1 ZINC000180671713 496097616 /nfs/dbraw/zinc/09/76/16/496097616.db2.gz XBJZVKOLLOYOPK-CABCVRRESA-N 1 0 354.479 3.462 10 0 FGAERO O[C@H](COCc1ccc(Cl)cc1)C[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186667576 496099142 /nfs/dbraw/zinc/09/91/42/496099142.db2.gz GIVWKKHOYHIZLM-PZJWPPBQSA-N 1 0 373.880 3.349 10 0 FGAERO CCc1nccn1[C@H]1CCCN(C(=O)NCc2ccn(C3CCCC3)n2)C1 ZINC000152344159 496122997 /nfs/dbraw/zinc/12/29/97/496122997.db2.gz QSDNZKGHBIXJDD-SFHVURJKSA-N 1 0 370.501 3.304 10 0 FGAERO C[C@H](C(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)c1cccs1 ZINC000174853329 496133939 /nfs/dbraw/zinc/13/39/39/496133939.db2.gz SOIAVRQUJVWXOY-QFBILLFUSA-N 1 0 372.534 3.413 10 0 FGAERO COc1ccc([C@H](C)[NH2+]CCC(=O)Nc2cc(N)ccc2F)cc1OC ZINC000180849863 496170444 /nfs/dbraw/zinc/17/04/44/496170444.db2.gz ZSOHWQKFFHKGGD-LBPRGKRZSA-N 1 0 361.417 3.105 10 0 FGAERO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2cc(C(C)(C)C)no2)cc1OC ZINC000180880567 496183236 /nfs/dbraw/zinc/18/32/36/496183236.db2.gz FBQKRUMVZNAGBB-GFCCVEGCSA-N 1 0 361.442 3.279 10 0 FGAERO COc1ccc([C@H](C)[NH2+]C[C@H](O)COc2cccc3[nH]ccc32)cc1OC ZINC000180890647 496188385 /nfs/dbraw/zinc/18/83/85/496188385.db2.gz XMJXGQLHTNEEQS-HOCLYGCPSA-N 1 0 370.449 3.276 10 0 FGAERO O=C(c1cccc(COc2cccc(F)c2)c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000172173255 496194418 /nfs/dbraw/zinc/19/44/18/496194418.db2.gz RDKDHLZVRDVVJT-IBGZPJMESA-N 1 0 354.425 3.325 10 0 FGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCc1c(C)nn(CC(C)C)c1C ZINC000174987176 496194674 /nfs/dbraw/zinc/19/46/74/496194674.db2.gz IOKNVAYRLTVVMP-RBUKOAKNSA-N 1 0 360.546 3.174 10 0 FGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1csc(Cc2ccccc2)n1 ZINC000174990780 496197697 /nfs/dbraw/zinc/19/76/97/496197697.db2.gz JINZGUVREDDRGB-DLBZAZTESA-N 1 0 355.507 3.433 10 0 FGAERO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)c2ccccc2Br)C1 ZINC000177842600 496218551 /nfs/dbraw/zinc/21/85/51/496218551.db2.gz YYDABMYEPZMKEB-KBPBESRZSA-N 1 0 368.319 3.493 10 0 FGAERO COc1c(Br)cccc1C[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000187005065 496249051 /nfs/dbraw/zinc/24/90/51/496249051.db2.gz VWDXEMYTANTTGK-LBPRGKRZSA-N 1 0 350.260 3.181 10 0 FGAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCOc2c(F)cccc21 ZINC000181045580 496251688 /nfs/dbraw/zinc/25/16/88/496251688.db2.gz XLYKLZKMVXLXPE-OALUTQOASA-N 1 0 356.441 3.329 10 0 FGAERO Cc1ccccc1[C@H]([NH2+]C[C@H]1CC[C@H](C(=O)N(C)C)O1)c1ccccc1 ZINC000181057547 496255295 /nfs/dbraw/zinc/25/52/95/496255295.db2.gz SMRMOYIGXHKLRO-HMXCVIKNSA-N 1 0 352.478 3.310 10 0 FGAERO CCC[C@@H]([NH3+])C(=O)NCc1ccccc1-c1ccc(Cn2cccn2)cc1 ZINC000156540677 496273636 /nfs/dbraw/zinc/27/36/36/496273636.db2.gz RPYYEWUXYIRYLI-OAQYLSRUSA-N 1 0 362.477 3.342 10 0 FGAERO CCC[C@H]([NH3+])C(=O)NCc1ccccc1-c1ccc(Cn2cccn2)cc1 ZINC000156540553 496274084 /nfs/dbraw/zinc/27/40/84/496274084.db2.gz RPYYEWUXYIRYLI-NRFANRHFSA-N 1 0 362.477 3.342 10 0 FGAERO C[N@H+](CCN1CCn2c(nnc2-c2ccccc2)C1)Cc1ccc(F)cc1 ZINC000187103542 496294358 /nfs/dbraw/zinc/29/43/58/496294358.db2.gz VRABMSYQZBHQQD-UHFFFAOYSA-N 1 0 365.456 3.032 10 0 FGAERO C[C@H](NC(=O)NC1CC[NH+](CC2CC2)CC1)c1cccc(-n2ccnc2)c1 ZINC000175232532 496301038 /nfs/dbraw/zinc/30/10/38/496301038.db2.gz ZUQFUBDKJCXQBL-INIZCTEOSA-N 1 0 367.497 3.107 10 0 FGAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@H](C)CCCc2ccccc2)CC1 ZINC000181183523 496302410 /nfs/dbraw/zinc/30/24/10/496302410.db2.gz SLXBJDNDIFXTND-RBUKOAKNSA-N 1 0 360.542 3.197 10 0 FGAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)Nc2cccc(-n3cccc3)c2)CC1 ZINC000181199500 496308568 /nfs/dbraw/zinc/30/85/68/496308568.db2.gz UDXMEIQEHWLUJD-KRWDZBQOSA-N 1 0 370.497 3.034 10 0 FGAERO Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000181234725 496322591 /nfs/dbraw/zinc/32/25/91/496322591.db2.gz SYBXOBBZAYOXKR-PKOBYXMFSA-N 1 0 374.529 3.168 10 0 FGAERO CC[C@@H](O)CN1CCN(C(=O)Nc2ccccc2Cc2ccccc2)CC1 ZINC000175300363 496329496 /nfs/dbraw/zinc/32/94/96/496329496.db2.gz WXXZQEKECDBLRA-HXUWFJFHSA-N 1 0 367.493 3.198 10 0 FGAERO CC(C)N1C[C@@H](C)[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)C1 ZINC000181284754 496339544 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FGAERO Cc1nn(-c2ccccc2C)c2sc(C(=O)N3CC[C@H]([NH+](C)C)C3)cc12 ZINC000162603308 496381006 /nfs/dbraw/zinc/38/10/06/496381006.db2.gz LQXYBKQZCPMAHN-HNNXBMFYSA-N 1 0 368.506 3.480 10 0 FGAERO CC(C)c1nc2n(n1)C[C@@H]([NH2+]Cc1ccc3c(c1)COC(C)(C)O3)CC2 ZINC000187296360 496381846 /nfs/dbraw/zinc/38/18/46/496381846.db2.gz XFTKXDKXGPUPCV-INIZCTEOSA-N 1 0 356.470 3.151 10 0 FGAERO COc1ccc(C[C@@H](C)C[NH2+][C@@H]2CCc3nc(C(C)C)nn3C2)cc1F ZINC000187296111 496382028 /nfs/dbraw/zinc/38/20/28/496382028.db2.gz ZDLIMZAJDLTDKR-GDBMZVCRSA-N 1 0 360.477 3.332 10 0 FGAERO Cc1nccn1C[C@H]1CCC[N@@H+]1[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000178288160 496400141 /nfs/dbraw/zinc/40/01/41/496400141.db2.gz VGXWLQMKFAFREU-QZTJIDSGSA-N 1 0 358.873 3.115 10 0 FGAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1CCCc1nc(-c2ccccc2)no1 ZINC000178298134 496403576 /nfs/dbraw/zinc/40/35/76/496403576.db2.gz PNCMPTOSGIPHHB-SFHVURJKSA-N 1 0 351.454 3.339 10 0 FGAERO C[NH+](C)C[C@@H](NC(=O)c1cnc(-c2ccncc2)s1)c1ccccc1 ZINC000172727663 496405091 /nfs/dbraw/zinc/40/50/91/496405091.db2.gz HYCNPFNXRSXJDH-MRXNPFEDSA-N 1 0 352.463 3.238 10 0 FGAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000178318003 496411079 /nfs/dbraw/zinc/41/10/79/496411079.db2.gz MTRVDBQTSMVYHF-SFHVURJKSA-N 1 0 362.518 3.303 10 0 FGAERO COc1cc(C[N@@H+]2CCC[C@H]2Cn2ccnc2C)ccc1OC(F)F ZINC000178328670 496415367 /nfs/dbraw/zinc/41/53/67/496415367.db2.gz FUYDEGCFEVEFIA-HNNXBMFYSA-N 1 0 351.397 3.466 10 0 FGAERO [NH3+][C@H]1CCC[C@@H](C(=O)Nc2ccnn2Cc2ccc(Cl)c(F)c2)C1 ZINC000157258607 496440081 /nfs/dbraw/zinc/44/00/81/496440081.db2.gz NSOVJYWPAMKMAY-OLZOCXBDSA-N 1 0 350.825 3.180 10 0 FGAERO CC(C)(C)OC[C@H](O)C[N@H+](CCc1ccccn1)Cc1ccc(F)cc1 ZINC000157287367 496446905 /nfs/dbraw/zinc/44/69/05/496446905.db2.gz BTXAYUUUVNQNPK-HXUWFJFHSA-N 1 0 360.473 3.441 10 0 FGAERO C[C@H](CCNC(=O)N1CCC[C@@H]1c1cnn(C)c1)[N@H+](C)Cc1ccccc1 ZINC000175641572 496478966 /nfs/dbraw/zinc/47/89/66/496478966.db2.gz XRLDOKQHEAAKKH-YLJYHZDGSA-N 1 0 369.513 3.177 10 0 FGAERO CC(C)(C)OC[C@H](O)C[NH2+]C(C)(C)COc1ccc(C(F)(F)F)cn1 ZINC000181668297 496494417 /nfs/dbraw/zinc/49/44/17/496494417.db2.gz LWYDSEYJRPETKZ-CYBMUJFWSA-N 1 0 364.408 3.023 10 0 FGAERO Cc1cccc(NC[C@@H]2CC[N@H+](CC3CCN(C(=O)C(C)(C)C)CC3)C2)n1 ZINC000181712905 496513520 /nfs/dbraw/zinc/51/35/20/496513520.db2.gz UWEOLAVUAVFDIQ-IBGZPJMESA-N 1 0 372.557 3.409 10 0 FGAERO CC(=O)N(c1nc(CN2CC[N@@H+]3CCC[C@@H]3C2)cs1)c1ccc(F)cc1 ZINC000178634142 496524654 /nfs/dbraw/zinc/52/46/54/496524654.db2.gz GACYZONDVJKXTP-GOSISDBHSA-N 1 0 374.485 3.247 10 0 FGAERO COc1ccc(C[C@H]([NH2+]CC2(O)CCOCC2)c2ccc(OC)cc2)cc1 ZINC000178636225 496525386 /nfs/dbraw/zinc/52/53/86/496525386.db2.gz KFABVUPFOFJXSY-NRFANRHFSA-N 1 0 371.477 3.119 10 0 FGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCc1nc2ccccc2n1C1CC1 ZINC000184772600 496526643 /nfs/dbraw/zinc/52/66/43/496526643.db2.gz WAQNELRFPNDWFC-HNNXBMFYSA-N 1 0 357.502 3.147 10 0 FGAERO C[C@H]([NH2+]C[C@H]1CN(c2ccccc2)C(=O)O1)c1ccc2c(c1)OCCO2 ZINC000181757070 496532172 /nfs/dbraw/zinc/53/21/72/496532172.db2.gz ZHVWCDVIHVSHRL-YOEHRIQHSA-N 1 0 354.406 3.134 10 0 FGAERO C[C@@H]([NH3+])CCNC(=O)c1ccc(Oc2cccc(Br)c2)nc1 ZINC000178674615 496536355 /nfs/dbraw/zinc/53/63/55/496536355.db2.gz RFQOPENWMNFMKF-LLVKDONJSA-N 1 0 364.243 3.104 10 0 FGAERO O=C(CC1([NH+]2CCOCC2)CCCC1)N[C@H]1CCCc2cc(F)ccc21 ZINC000157742675 496543310 /nfs/dbraw/zinc/54/33/10/496543310.db2.gz DMUPMQCKPBOBDM-IBGZPJMESA-N 1 0 360.473 3.354 10 0 FGAERO Cc1cc([C@H](C)NC(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)c(C)s1 ZINC000184839426 496553039 /nfs/dbraw/zinc/55/30/39/496553039.db2.gz XPBSYASYWHTSDQ-HIFRSBDPSA-N 1 0 367.559 3.160 10 0 FGAERO Cc1nccn1C[C@H]1CCCN1C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000175805978 496553160 /nfs/dbraw/zinc/55/31/60/496553160.db2.gz OJVOKONRMRKWMV-PKOBYXMFSA-N 1 0 361.534 3.020 10 0 FGAERO Cc1nccn1C[C@H]1CCC[N@H+]1Cc1ccc(OCc2nccn2C)cc1 ZINC000178748399 496558734 /nfs/dbraw/zinc/55/87/34/496558734.db2.gz OVZMBIOEAOMDRF-LJQANCHMSA-N 1 0 365.481 3.169 10 0 FGAERO C[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1Cl)c1ccc(S(C)(=O)=O)cc1 ZINC000184939722 496593959 /nfs/dbraw/zinc/59/39/59/496593959.db2.gz PEORHDHBOZJHKD-PIGZYNQJSA-N 1 0 371.861 3.267 10 0 FGAERO Cc1cc(Cl)c(NC(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1Cl ZINC000153837326 496596261 /nfs/dbraw/zinc/59/62/61/496596261.db2.gz KLXKGPNHQGSFJC-GFCCVEGCSA-N 1 0 360.285 3.270 10 0 FGAERO Cc1ccc(-n2cc(C(=O)N3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)c(C(C)(C)C)n2)cc1 ZINC000184977111 496607882 /nfs/dbraw/zinc/60/78/82/496607882.db2.gz XOZCKHCDNGHEIV-WDYCEAGBSA-N 1 0 366.509 3.288 10 0 FGAERO C[C@H](COCc1ccccc1)NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000178908115 496612598 /nfs/dbraw/zinc/61/25/98/496612598.db2.gz SJIPMCRGIRLSCN-YFVAEKQCSA-N 1 0 371.525 3.250 10 0 FGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cnn(-c2ccccc2)c1C ZINC000182081474 496661774 /nfs/dbraw/zinc/66/17/74/496661774.db2.gz QUYXNKYXYMBPQN-FUHWJXTLSA-N 1 0 353.470 3.271 10 0 FGAERO Cc1cc(N2CCC[C@@H]([NH2+]CCCCCOc3ccccc3)C2=O)n(C)n1 ZINC000188048453 496663386 /nfs/dbraw/zinc/66/33/86/496663386.db2.gz NFFIOOXEHDXOLO-LJQANCHMSA-N 1 0 370.497 3.063 10 0 FGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc2ccn(CCOC)c2c1 ZINC000182145570 496688074 /nfs/dbraw/zinc/68/80/74/496688074.db2.gz LSTLOIYJGMWJLR-RBUKOAKNSA-N 1 0 370.497 3.378 10 0 FGAERO CCC[C@H](C(=O)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1)[NH+](C)C ZINC000185186071 496696813 /nfs/dbraw/zinc/69/68/13/496696813.db2.gz VHAYFJFMKAPNHI-XJKSGUPXSA-N 1 0 357.420 3.131 10 0 FGAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000168649146 496710764 /nfs/dbraw/zinc/71/07/64/496710764.db2.gz LBFXCYINHWSXPM-QZTJIDSGSA-N 1 0 364.411 3.449 10 0 FGAERO Cc1ccc(C[N@H+](C[C@@H](O)COc2ccccc2)C[C@@H]2CCCO2)s1 ZINC000169679341 496716600 /nfs/dbraw/zinc/71/66/00/496716600.db2.gz WECPZRSPQXRKQH-MJGOQNOKSA-N 1 0 361.507 3.477 10 0 FGAERO CCC[C@@H]([NH2+][C@@H]1CCCN(c2cc(C)nn2C)C1=O)c1ccc(OC)cc1 ZINC000182346324 496730732 /nfs/dbraw/zinc/73/07/32/496730732.db2.gz KOKMGAHMXNRVOP-RTBURBONSA-N 1 0 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353.260 3.026 10 0 FGAERO O=C(N[C@@H]1CCCN(Cc2ccccc2F)C1)C1([NH+]2CCCC2)CCCC1 ZINC000014972951 211107884 /nfs/dbraw/zinc/10/78/84/211107884.db2.gz LGHZIUVSHWOJCU-LJQANCHMSA-N 1 0 373.516 3.315 10 0 FGAERO CNC(=O)c1nn(CC2CCCCC2)c2c1C[C@@H]([NH+]1CCCCC1)CC2 ZINC000014741877 211100888 /nfs/dbraw/zinc/10/08/88/211100888.db2.gz IKHNVDHJWNGUPW-KRWDZBQOSA-N 1 0 358.530 3.166 10 0 FGAERO O=C(NCc1ccccc1)c1ccc(N2CC[NH2+][C@H](c3ccccc3)C2)nc1 ZINC000065256076 221188974 /nfs/dbraw/zinc/18/89/74/221188974.db2.gz SZINAHFJASJUEX-NRFANRHFSA-N 1 0 372.472 3.163 10 0 FGAERO O=C(NC1CCCCC1)c1ccnc(N2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000065256379 221189521 /nfs/dbraw/zinc/18/95/21/221189521.db2.gz YRVXMMCMJIIGFY-HXUWFJFHSA-N 1 0 364.493 3.295 10 0 FGAERO Cc1ccccc1[C@@H]1CCN(CC[NH2+]C2CCN(C(=O)C(C)C)CC2)C1 ZINC000065407046 221214589 /nfs/dbraw/zinc/21/45/89/221214589.db2.gz DQPPRVOMBVQVIO-LJQANCHMSA-N 1 0 357.542 3.021 10 0 FGAERO Cc1cc(C[NH+]2CCCC2)ccc1Oc1cncc(C(=O)N2CCCC2)n1 ZINC000067673784 221267970 /nfs/dbraw/zinc/26/79/70/221267970.db2.gz UXSYFDPYSPUKTL-UHFFFAOYSA-N 1 0 366.465 3.409 10 0 FGAERO CCOc1ccccc1NC(=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190451949 257368329 /nfs/dbraw/zinc/36/83/29/257368329.db2.gz QMEZWUVGRJMJFN-GOSISDBHSA-N 1 0 368.481 3.466 10 0 FGAERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)Cc2ccc(Cl)cc2)C1 ZINC000190585326 257369214 /nfs/dbraw/zinc/36/92/14/257369214.db2.gz BYTSDRVIPSUUCD-SFHVURJKSA-N 1 0 357.885 3.258 10 0 FGAERO CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000035266512 257337634 /nfs/dbraw/zinc/33/76/34/257337634.db2.gz ZCAIZXUVFDWOQY-KCJUWKMLSA-N 1 0 369.288 3.280 10 0 FGAERO Cc1nc(C[NH+]2CCC3(CCN(c4ccc(C)nn4)CC3)CC2)cs1 ZINC000097954334 132231318 /nfs/dbraw/zinc/23/13/18/132231318.db2.gz QUHAHMRZFZHRFE-UHFFFAOYSA-N 1 0 357.527 3.433 10 0 FGAERO Cc1cc(N)c(NC(=O)c2ccc(Cl)cc2)cc1N1CC[NH+](C)CC1 ZINC000226331066 132250585 /nfs/dbraw/zinc/25/05/85/132250585.db2.gz FXRGCZNUXOIPPN-UHFFFAOYSA-N 1 0 358.873 3.235 10 0 FGAERO Cc1ccc(CN2C(=O)CCC23CCC([NH2+]C[C@@H]2CCOC2)CC3)cc1 ZINC000096075892 222014089 /nfs/dbraw/zinc/01/40/89/222014089.db2.gz DGEOKZYZAXGJDC-YMISUZCDSA-N 1 0 356.510 3.425 10 0 FGAERO C[NH+](C)C[C@H](NC(=O)c1ccc(OCC(F)(F)F)nc1)c1ccccc1 ZINC000097042385 222153261 /nfs/dbraw/zinc/15/32/61/222153261.db2.gz VBKPJZKTZHDULV-HNNXBMFYSA-N 1 0 367.371 3.055 10 0 FGAERO CN(C)c1cccc([C@@H]2CCC[N@@H+]2C[C@H](O)COCc2ccccc2)c1 ZINC000075838794 493784014 /nfs/dbraw/zinc/78/40/14/493784014.db2.gz KECXSUYELNOCGK-VXKWHMMOSA-N 1 0 354.494 3.467 10 0 FGAERO CCCOc1ccc(NC(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1Cl ZINC000048124084 493788609 /nfs/dbraw/zinc/78/86/09/493788609.db2.gz BXZHXJJVYQJABU-HNNXBMFYSA-N 1 0 369.893 3.097 10 0 FGAERO COC(=O)c1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2cccc(Cl)c2)cc1 ZINC000028660137 493796119 /nfs/dbraw/zinc/79/61/19/493796119.db2.gz CIKYDLBEJZQLPV-GUYCJALGSA-N 1 0 363.841 3.217 10 0 FGAERO CCOCc1ccc(CNC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)cc1 ZINC000048215917 493803473 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FGAERO CC(C)c1csc([C@H]2CCCN(C(=O)NC[C@H]3CCC[N@H+](C)C3)C2)n1 ZINC000173494376 495557194 /nfs/dbraw/zinc/55/71/94/495557194.db2.gz RUBBMVUYPZCOGL-CVEARBPZSA-N 1 0 364.559 3.497 10 0 FGAERO C[NH+](C)[C@H](CNC(=O)N1CCCC[C@@H]1c1cn[nH]c1)c1ccc(F)cc1 ZINC000182422104 495557915 /nfs/dbraw/zinc/55/79/15/495557915.db2.gz QSQZNSMZQWJARP-QZTJIDSGSA-N 1 0 359.449 3.088 10 0 FGAERO C[C@H](C(=O)N[C@@H](C)c1ccccc1)[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000185464423 495587127 /nfs/dbraw/zinc/58/71/27/495587127.db2.gz KNQRRWQKFOQJDD-ZWKOTPCHSA-N 1 0 352.478 3.236 10 0 FGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000176308035 495591814 /nfs/dbraw/zinc/59/18/14/495591814.db2.gz KYFDGKPBJFMHHQ-MJGOQNOKSA-N 1 0 361.486 3.192 10 0 FGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccccc1N1C[C@@H](C)O[C@@H](C)C1 ZINC000176310637 495592714 /nfs/dbraw/zinc/59/27/14/495592714.db2.gz PPKFESRHDNUBEA-KSZLIROESA-N 1 0 374.529 3.248 10 0 FGAERO C[NH+](C)[C@H]1CCN(C(=O)N[C@@H](COc2ccccc2F)c2ccccc2)C1 ZINC000170831587 495619225 /nfs/dbraw/zinc/61/92/25/495619225.db2.gz GWRQUDOGPQZAGQ-HKUYNNGSSA-N 1 0 371.456 3.291 10 0 FGAERO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCCC[C@@H]2c2nccs2)C1 ZINC000150760899 495624953 /nfs/dbraw/zinc/62/49/53/495624953.db2.gz AUYGNQYMNYQXRJ-JKSUJKDBSA-N 1 0 350.532 3.358 10 0 FGAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)C1 ZINC000170856053 495629395 /nfs/dbraw/zinc/62/93/95/495629395.db2.gz RBGWKMJQJIHIIY-INIZCTEOSA-N 1 0 356.853 3.347 10 0 FGAERO C[C@@H](Sc1ccc(Br)cc1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170865150 495632250 /nfs/dbraw/zinc/63/22/50/495632250.db2.gz XBBINPXZTZAUMQ-DGCLKSJQSA-N 1 0 357.317 3.092 10 0 FGAERO FC(F)(F)COc1ccccc1C[NH+]1CCC(Nc2cccnn2)CC1 ZINC000173671999 495641542 /nfs/dbraw/zinc/64/15/42/495641542.db2.gz WYROASXKXQWUGF-UHFFFAOYSA-N 1 0 366.387 3.494 10 0 FGAERO Cn1nccc1C1CC[NH+](C[C@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000159081520 495653913 /nfs/dbraw/zinc/65/39/13/495653913.db2.gz NECGVCGUNVWYNQ-QGZVFWFLSA-N 1 0 367.415 3.222 10 0 FGAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2cccc(-c3ccc4c(c3)CCO4)c2)C1 ZINC000179626374 495665993 /nfs/dbraw/zinc/66/59/93/495665993.db2.gz KRTNEMHKWMZECS-LJQANCHMSA-N 1 0 351.450 3.456 10 0 FGAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2c(C3CC3)nc3sccn23)C12CCOCC2 ZINC000185656688 495665997 /nfs/dbraw/zinc/66/59/97/495665997.db2.gz VBQMBSBICJXRDN-HZPDHXFCSA-N 1 0 361.511 3.337 10 0 FGAERO C[C@@H](NC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1)c1cccs1 ZINC000179639185 495672135 /nfs/dbraw/zinc/67/21/35/495672135.db2.gz RZTDYVNHVJGBHF-OAHLLOKOSA-N 1 0 358.507 3.443 10 0 FGAERO CCO[C@H]1C[C@H]([NH2+]Cc2c(F)cccc2N2CCCC2)C12CCOCC2 ZINC000185671722 495673053 /nfs/dbraw/zinc/67/30/53/495673053.db2.gz PTCNTIGOYIPFQU-PMACEKPBSA-N 1 0 362.489 3.490 10 0 FGAERO C[C@@H](NC[C@H]1CN(C)CCO1)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000150936781 495687659 /nfs/dbraw/zinc/68/76/59/495687659.db2.gz OQDQVKYHAXQPLB-PWSUYJOCSA-N 1 0 371.268 3.025 10 0 FGAERO Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3ccc(Cl)s3)C2=O)n(C)n1 ZINC000179685150 495689921 /nfs/dbraw/zinc/68/99/21/495689921.db2.gz QEWOEUXGGVMAQR-RYUDHWBXSA-N 1 0 352.891 3.290 10 0 FGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(C)n(-c2ccccc2Cl)n1 ZINC000179702094 495696983 /nfs/dbraw/zinc/69/69/83/495696983.db2.gz RMZGXABLXYOOHB-OAHLLOKOSA-N 1 0 360.889 3.390 10 0 FGAERO CCCCOCCOCc1cccc(NC(=O)N2CC[C@H]([NH+](C)C)C2)c1 ZINC000171082709 495717367 /nfs/dbraw/zinc/71/73/67/495717367.db2.gz YICCQZDOMNELFJ-IBGZPJMESA-N 1 0 363.502 3.188 10 0 FGAERO CC(C)OC(=O)c1ccc(Cl)c(NC(=O)N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000171084371 495718002 /nfs/dbraw/zinc/71/80/02/495718002.db2.gz OMCHXCCDZZLWOU-CYBMUJFWSA-N 1 0 353.850 3.073 10 0 FGAERO C[C@H]([NH2+]CC(=O)NCCc1ccc(OC(F)F)cc1)c1cccs1 ZINC000171112472 495730276 /nfs/dbraw/zinc/73/02/76/495730276.db2.gz LQKHWQNEVNXGBT-LBPRGKRZSA-N 1 0 354.422 3.359 10 0 FGAERO Cc1ccccc1-c1noc([C@@H](C)[N@@H+]2CCC[C@H](Cn3cncn3)C2)n1 ZINC000173894459 495736006 /nfs/dbraw/zinc/73/60/06/495736006.db2.gz UKZSNEKEHWLFGY-CVEARBPZSA-N 1 0 352.442 3.110 10 0 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Cc1cccc(Cc2cnc(NC(=O)C[NH2+][C@@H](C)[C@@H]3CCCO3)s2)c1 ZINC000183182487 705881201 /nfs/dbraw/zinc/88/12/01/705881201.db2.gz HSKBHUJOAYCYNU-YOEHRIQHSA-N 1 0 359.495 3.138 10 0 FGAERO O[C@H]1CCCC[C@H]1C[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000183810589 705903532 /nfs/dbraw/zinc/90/35/32/705903532.db2.gz SLUSIWZFOPPEDA-ZBEGNZNMSA-N 1 0 355.269 3.215 10 0 FGAERO CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2COC3(CCCCCC3)O2)C12CCOCC2 ZINC000186472926 712720647 /nfs/dbraw/zinc/72/06/47/712720647.db2.gz BZYUTUHKUJQBSZ-FGTMMUONSA-N 1 0 353.503 3.016 10 0 FGAERO C[C@H](C[NH2+][C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000187913784 712756774 /nfs/dbraw/zinc/75/67/74/712756774.db2.gz BWISTORBQMHAHL-OCBCSQNSSA-N 1 0 364.829 3.036 10 0 FGAERO CC[C@H]([NH2+]CCc1ccnn1C)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000188709901 712775672 /nfs/dbraw/zinc/77/56/72/712775672.db2.gz AYUXHDOPYQLXQC-IRXDYDNUSA-N 1 0 350.507 3.120 10 0 FGAERO CN(CC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2ccnc(Cl)c2)CC1 ZINC000190493365 712816192 /nfs/dbraw/zinc/81/61/92/712816192.db2.gz BHRRDENOPDOBRJ-MRXNPFEDSA-N 1 0 367.921 3.363 10 0 FGAERO CN(CC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](CCc2cccs2)CC1 ZINC000190500525 712816210 /nfs/dbraw/zinc/81/62/10/712816210.db2.gz AWRARWAKBDIERN-MRXNPFEDSA-N 1 0 352.544 3.419 10 0 FGAERO CCC(CC)CNC(=O)N1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000190715479 712820843 /nfs/dbraw/zinc/82/08/43/712820843.db2.gz OEEWZOUDUPRLEA-MRXNPFEDSA-N 1 0 352.548 3.351 10 0 FGAERO COC(=O)c1sccc1C[NH2+][C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000191916167 712846584 /nfs/dbraw/zinc/84/65/84/712846584.db2.gz AGVAZNGBEUVCQV-TZMCWYRMSA-N 1 0 368.499 3.318 10 0 FGAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 ZINC000193496016 712893282 /nfs/dbraw/zinc/89/32/82/712893282.db2.gz SEGVKXRFLUETND-TZMCWYRMSA-N 1 0 358.463 3.057 10 0 FGAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1cc(NC(=O)NC(C)(C)C)ccc1Cl ZINC000193506654 712893934 /nfs/dbraw/zinc/89/39/34/712893934.db2.gz WLTPBXQWXYNQSH-IAQYHMDHSA-N 1 0 366.893 3.130 10 0 FGAERO Cc1cc(NC(=O)CC[NH2+][C@@H](C)c2ccccc2Br)no1 ZINC000194076619 713509789 /nfs/dbraw/zinc/50/97/89/713509789.db2.gz JJQMUXLLMBIIMJ-NSHDSACASA-N 1 0 352.232 3.425 10 0 FGAERO CC(C)c1nn(C)c(N2CCOCC2)c1C[NH2+]CC(C(C)C)C(C)C ZINC000194434794 713521730 /nfs/dbraw/zinc/52/17/30/713521730.db2.gz DJPBIMWJOGFVOG-UHFFFAOYSA-N 1 0 350.551 3.398 10 0 FGAERO O=C(NCCc1ccc(C(F)(F)F)cc1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195223830 713549926 /nfs/dbraw/zinc/54/99/26/713549926.db2.gz SIZJMOGZYCBZJV-INIZCTEOSA-N 1 0 355.404 3.128 10 0 FGAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)Cc1csc(-c2ccc(Cl)s2)n1 ZINC000238033313 713600110 /nfs/dbraw/zinc/60/01/10/713600110.db2.gz YWIZEMFPKUZXOO-GXSJLCMTSA-N 1 0 355.916 3.311 10 0 FGAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000246285182 713621251 /nfs/dbraw/zinc/62/12/51/713621251.db2.gz BWFCERCGVOIGFW-KBMXLJTQSA-N 1 0 366.518 3.301 10 0 FGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H](O)c2cc(Cl)cc(Cl)c2)C1 ZINC000246772591 713630580 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1 0 364.829 3.036 10 0 FGAERO O=S(=O)(/C=C\c1ccccc1)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000255888827 713709124 /nfs/dbraw/zinc/70/91/24/713709124.db2.gz LHCYLPBHMFOKAT-LUQQZNFBSA-N 1 0 354.475 3.472 10 0 FGAERO C[NH2+][C@H](C)CNS(=O)(=O)c1ccc(Oc2cccc(Cl)c2)cc1 ZINC000261614340 713711548 /nfs/dbraw/zinc/71/15/48/713711548.db2.gz AOSQSOXQWYVTSE-GFCCVEGCSA-N 1 0 354.859 3.019 10 0 FGAERO FC(F)(F)c1cc(Br)cnc1N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261664901 713712438 /nfs/dbraw/zinc/71/24/38/713712438.db2.gz FKEZQJWCLKROFH-GFCCVEGCSA-N 1 0 350.182 3.053 10 0 FGAERO FC(F)(F)c1cc(Br)cnc1N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261740817 713713444 /nfs/dbraw/zinc/71/34/44/713713444.db2.gz LXDLSOPZTOCRJI-LDYMZIIASA-N 1 0 350.182 3.051 10 0 FGAERO C[C@H](NC(=O)C1(n2cccn2)CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1 ZINC000261930814 713716031 /nfs/dbraw/zinc/71/60/31/713716031.db2.gz LPBBOLCGYQBNHT-LBPRGKRZSA-N 1 0 367.280 3.146 10 0 FGAERO CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@H]1CCC[C@H]1[NH2+]CC1CC(O)C1 ZINC000310516244 713799221 /nfs/dbraw/zinc/79/92/21/713799221.db2.gz ZLWQIUHVUFQFQJ-YXYCDRMUSA-N 1 0 352.519 3.305 10 0 FGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc(Cl)ncc1Br ZINC000312588021 713802730 /nfs/dbraw/zinc/80/27/30/713802730.db2.gz PILZXHHMDMDJTO-JTQLQIEISA-N 1 0 360.683 3.054 10 0 FGAERO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N[C@@H]2CCO[C@H](c3cccs3)C2)C1 ZINC000333783902 713843874 /nfs/dbraw/zinc/84/38/74/713843874.db2.gz CCQABRVSVBGEOP-JJXSEGSLSA-N 1 0 351.516 3.140 10 0 FGAERO Brc1cncc(Br)c1C[NH2+]CC[C@@H]1CCCO1 ZINC000394550541 713990998 /nfs/dbraw/zinc/99/09/98/713990998.db2.gz DTTGHPRKWZFPDO-VIFPVBQESA-N 1 0 364.081 3.265 10 0 FGAERO Cc1nc(N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)ccc1Br ZINC000630527048 716470152 /nfs/dbraw/zinc/47/01/52/716470152.db2.gz GRSMRGWDEPERPU-ZJUUUORDSA-N 1 0 352.198 3.116 10 0 FGAERO CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C[NH2+][C@H]2CCCCC23CCCC3)C1 ZINC000702767403 722410932 /nfs/dbraw/zinc/41/09/32/722410932.db2.gz YDKUTUMNEMZNAW-IKGGRYGDSA-N 1 0 352.519 3.307 10 0 FGAERO Clc1cnc(N[C@@H]2C[NH2+]CC3(CCOCC3)C2)c(Br)c1 ZINC000720283609 722419147 /nfs/dbraw/zinc/41/91/47/722419147.db2.gz YRHPRSKPEZHIHP-NSHDSACASA-N 1 0 360.683 3.068 10 0 FGAERO COc1ccccc1/C=C\C[NH2+][C@@H]1CC[C@H](C(F)(F)F)N(C(C)=O)C1 ZINC000886036518 739210892 /nfs/dbraw/zinc/21/08/92/739210892.db2.gz JFERXBIPEMVJPW-OZLAXVTRSA-N 1 0 356.388 3.240 10 0 FGAERO CO[C@H]1CC[N@@H+]([C@H]2CCC[C@H]2NC(=O)c2cc(Cl)ccc2Cl)C1 ZINC000886085513 739215884 /nfs/dbraw/zinc/21/58/84/739215884.db2.gz ITVSENUHEOFDRU-MAZHCROVSA-N 1 0 357.281 3.365 10 0 FGAERO Clc1cc(CN2CC[C@H](n3cc(C4CC4)nn3)C2)cc2c1OCCO2 ZINC000931114487 760780903 /nfs/dbraw/zinc/78/09/03/760780903.db2.gz FAEAMECYELVRSY-AWEZNQCLSA-N 1 0 360.845 3.027 10 0 FGAERO COc1cc(N)c(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@H+]2C)cc1OC ZINC000004830554 210229171 /nfs/dbraw/zinc/22/91/71/210229171.db2.gz PFBZCEPADMMGRX-QGZVFWFLSA-N 1 0 372.465 3.075 10 0 FGAERO CCn1nc(C)c(C[NH2+]C[C@@H]2CCc3nc(C(F)(F)F)cn3C2)c1C ZINC000328636463 210119256 /nfs/dbraw/zinc/11/92/56/210119256.db2.gz OAFKOOXERSMCBV-ZDUSSCGKSA-N 1 0 355.408 3.087 10 0 FGAERO COCC[N@@H+]1CCC[C@]2(CCN(Cc3[nH]c4ccc(OC)cc4c3C)C2)C1 ZINC000014955312 212017388 /nfs/dbraw/zinc/01/73/88/212017388.db2.gz AMDOOLSFTWFMDV-QFIPXVFZSA-N 1 0 371.525 3.419 10 0 FGAERO COc1ccc([C@H]([NH2+]C2CCCCCC2)C(N)=O)cc1Br ZINC000038052318 211368047 /nfs/dbraw/zinc/36/80/47/211368047.db2.gz HVOFHJXXBRJQEB-HNNXBMFYSA-N 1 0 355.276 3.297 10 0 FGAERO COc1cccc(NC(=O)C[NH2+]Cc2ccc(Br)s2)c1 ZINC000038018637 211354590 /nfs/dbraw/zinc/35/45/90/211354590.db2.gz IIFBKWQGLCRKGU-UHFFFAOYSA-N 1 0 355.257 3.248 10 0 FGAERO C[N@H+]1[C@@H]2CC[C@H]1CC(CNC(=O)c1ccc(F)cc1Br)C2 ZINC000038029559 211359010 /nfs/dbraw/zinc/35/90/10/211359010.db2.gz ZODUFOZJKVHHRZ-VGPLMAKISA-N 1 0 355.251 3.191 10 0 FGAERO CC(=O)c1c(C)[nH]c2ccc(OC[C@H](O)C[NH2+]CCc3ccccc3)cc21 ZINC000021167870 211309742 /nfs/dbraw/zinc/30/97/42/211309742.db2.gz ZMSLYCQAKZPYMI-GOSISDBHSA-N 1 0 366.461 3.251 10 0 FGAERO CC[NH+](CC)[C@@H]1CCc2c(c(C(=O)N(C)C)nn2CC2CCCCC2)C1 ZINC000014742877 211099867 /nfs/dbraw/zinc/09/98/67/211099867.db2.gz AXHOODHTIPWTBC-QGZVFWFLSA-N 1 0 360.546 3.364 10 0 FGAERO Cn1cc(C[N@H+](C)C[C@@H](O)COC(c2ccccc2)c2ccccc2)cn1 ZINC000053400850 257346870 /nfs/dbraw/zinc/34/68/70/257346870.db2.gz WNSKKUCBTFWHKA-OAQYLSRUSA-N 1 0 365.477 3.019 10 0 FGAERO CC(=O)c1cccc(NC(=O)N2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)c1 ZINC000190443039 257368251 /nfs/dbraw/zinc/36/82/51/257368251.db2.gz LZTRICRQHNMPRW-SFHVURJKSA-N 1 0 366.465 3.270 10 0 FGAERO Cc1cccc(C)c1OCC(=O)N1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190584257 257369312 /nfs/dbraw/zinc/36/93/12/257369312.db2.gz CTVSITUJFHSOFL-HXUWFJFHSA-N 1 0 367.493 3.058 10 0 FGAERO CCO[C@@H]1C[C@H]([NH2+]C[C@H](c2ccccc2)C(C)(C)CO)C12CCOCC2 ZINC000249013983 257371304 /nfs/dbraw/zinc/37/13/04/257371304.db2.gz PGMRWGJKQPDWCZ-HSALFYBXSA-N 1 0 361.526 3.353 10 0 FGAERO CC[NH+]1CCN(c2ncnc(Nc3cccc(Cl)c3Cl)c2N)CC1 ZINC000040726629 136120187 /nfs/dbraw/zinc/12/01/87/136120187.db2.gz GGFGCBCAWYIELE-UHFFFAOYSA-N 1 0 367.284 3.251 10 0 FGAERO C[NH+](C)C[C@H](NC(=O)c1ccn(-c2ccccc2F)n1)c1ccccc1 ZINC000097255762 222170769 /nfs/dbraw/zinc/17/07/69/222170769.db2.gz LUGLMPWODXYUOA-SFHVURJKSA-N 1 0 352.413 3.044 10 0 FGAERO COc1cc2c(cc1OC)C1=C[C@H]3C=CC(OC)=C(OC)[C@@H]3C=[N+]1CC2 ZINC000100037192 222232532 /nfs/dbraw/zinc/23/25/32/222232532.db2.gz XXPJAVJXRGUFCB-CZUORRHYSA-N 1 0 354.426 3.004 10 0 FGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)Cc1csc(Cc2ccccc2)n1 ZINC000068223932 493781356 /nfs/dbraw/zinc/78/13/56/493781356.db2.gz AJERVQIFLUECAT-KRWDZBQOSA-N 1 0 359.539 3.369 10 0 FGAERO COC(=O)c1ccc(F)c(NC(=O)N[C@H](C[NH+](C)C)c2ccccc2)c1 ZINC000048109293 493787204 /nfs/dbraw/zinc/78/72/04/493787204.db2.gz LXDJRCLAGAQESW-QGZVFWFLSA-N 1 0 359.401 3.037 10 0 FGAERO CC(=O)Nc1cccc([C@H](C)NC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)c1 ZINC000048217206 493803546 /nfs/dbraw/zinc/80/35/46/493803546.db2.gz GRCQWVVUAQEVSJ-YWZLYKJASA-N 1 0 368.481 3.308 10 0 FGAERO COc1cccc(CCc2ccccc2OCC[C@@H]2C[C@@H](O)C[N@@H+]2C)c1 ZINC000003806062 493858117 /nfs/dbraw/zinc/85/81/17/493858117.db2.gz AFZLABYDOCWQBQ-WOJBJXKFSA-N 1 0 355.478 3.314 10 0 in-vitro FGAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc(N3CCSCC3)cc2C)C1 ZINC000051649085 493980299 /nfs/dbraw/zinc/98/02/99/493980299.db2.gz XFNPFDAGLLFSBP-INIZCTEOSA-N 1 0 362.543 3.154 10 0 FGAERO CC(C)c1ccc([C@H]2C[C@@H]2C(=O)N2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000076959044 493997437 /nfs/dbraw/zinc/99/74/37/493997437.db2.gz KCFXHTBRFSVRAG-YADHBBJMSA-N 1 0 370.537 3.484 10 0 FGAERO C[NH+](C)C[C@H](NC(=O)CCCc1nc(C(C)(C)C)no1)c1ccccc1 ZINC000032800217 494018039 /nfs/dbraw/zinc/01/80/39/494018039.db2.gz MYJNHRSEQHXPEE-INIZCTEOSA-N 1 0 358.486 3.109 10 0 FGAERO CC(C)NC(=O)Nc1cccc(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)c1 ZINC000032800235 494018099 /nfs/dbraw/zinc/01/80/99/494018099.db2.gz PCONBXMCNJGDBW-LJQANCHMSA-N 1 0 368.481 3.249 10 0 FGAERO CC[N@@H+]1CCC[C@@H](NC(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000052593154 494045080 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C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCO2)C(=O)N1CCCc2ccccc21 ZINC000072587875 494210860 /nfs/dbraw/zinc/21/08/60/494210860.db2.gz DLRDTMKJCFKDQA-JKSUJKDBSA-N 1 0 366.461 3.476 10 0 FGAERO O=C(NC1CCC1)[C@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000012718972 494252251 /nfs/dbraw/zinc/25/22/51/494252251.db2.gz OFGZKFNPUNEGJJ-IBGZPJMESA-N 1 0 355.526 3.032 10 0 FGAERO Cc1ccc([C@@H](C)NC(=O)N(C)C2CC[NH+](CCc3ccccn3)CC2)o1 ZINC000066175347 494283799 /nfs/dbraw/zinc/28/37/99/494283799.db2.gz QEIULINGWDYYFV-QGZVFWFLSA-N 1 0 370.497 3.393 10 0 FGAERO Cc1occc1C[N@H+](C)C[C@H](O)COc1cccc(Br)c1 ZINC000055055279 494295331 /nfs/dbraw/zinc/29/53/31/494295331.db2.gz OWNKFBGWGFZYOG-HNNXBMFYSA-N 1 0 354.244 3.222 10 0 FGAERO C[C@@H](NC(=O)c1ccnc(OCC[NH+](C)C)c1)c1ccc(Cl)s1 ZINC000089374160 494298180 /nfs/dbraw/zinc/29/81/80/494298180.db2.gz MIGMJZSUPZUPLO-LLVKDONJSA-N 1 0 353.875 3.228 10 0 FGAERO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000043821132 494321365 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COc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccnc2Cl)cc1OC ZINC000056182115 494466804 /nfs/dbraw/zinc/46/68/04/494466804.db2.gz MJRORHONWHEEHX-VXGBXAGGSA-N 1 0 363.845 3.430 10 0 FGAERO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(OC)c(OC)c2)cc1 ZINC000056182043 494467142 /nfs/dbraw/zinc/46/71/42/494467142.db2.gz KGUPDKSDEOXUOE-ZIAGYGMSSA-N 1 0 358.438 3.390 10 0 FGAERO C[NH+]1CCC(CCNC(=O)N2CCC[C@H]2C[C@@H](O)c2ccccc2)CC1 ZINC000074086164 494477805 /nfs/dbraw/zinc/47/78/05/494477805.db2.gz STCXWCSXDYDYQK-VQTJNVASSA-N 1 0 359.514 3.016 10 0 FGAERO CC(C)CN1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000090773333 494496539 /nfs/dbraw/zinc/49/65/39/494496539.db2.gz QALXDGINZHCHCO-GOEBONIOSA-N 1 0 356.507 3.000 10 0 FGAERO CC1(C)CO[C@H](c2ccccc2)C[N@@H+]1C[C@H](O)COCc1cccs1 ZINC000067230674 494498096 /nfs/dbraw/zinc/49/80/96/494498096.db2.gz IOVANQYSMZUCPF-HKUYNNGSSA-N 1 0 361.507 3.478 10 0 FGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N(C)Cc1ccc(Br)s1 ZINC000046279097 494511802 /nfs/dbraw/zinc/51/18/02/494511802.db2.gz FUXCJTNUKGKMAY-NSHDSACASA-N 1 0 362.337 3.382 10 0 FGAERO CCc1noc(-c2ccc(C)c(NC(=O)NC[C@H](C)[NH+](CC)CC)c2)n1 ZINC000079833716 494533172 /nfs/dbraw/zinc/53/31/72/494533172.db2.gz UAZWHQYWJQMBFY-AWEZNQCLSA-N 1 0 359.474 3.459 10 0 FGAERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1ccccc1OC[C@@H]1CCCCO1 ZINC000056624060 494537808 /nfs/dbraw/zinc/53/78/08/494537808.db2.gz VERSPKBBROMPMP-IRXDYDNUSA-N 1 0 363.502 3.486 10 0 FGAERO CC(C)(C)OC[C@H](O)C[NH+]1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000067486484 494550640 /nfs/dbraw/zinc/55/06/40/494550640.db2.gz VDHVRKNSCHZZJC-MSOLQXFVSA-N 1 0 355.906 3.261 10 0 FGAERO C[C@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1nc2ccc(Cl)cc2n1C ZINC000091374828 494590112 /nfs/dbraw/zinc/59/01/12/494590112.db2.gz WPTDCLMRHGPBDQ-ZFWWWQNUSA-N 1 0 370.888 3.336 10 0 FGAERO COCC[N@H+](C)CCCC1CCN(C(=O)N[C@H](C)c2ccc(C)o2)CC1 ZINC000126020664 494609153 /nfs/dbraw/zinc/60/91/53/494609153.db2.gz CAIDFXGKCIZHBD-QGZVFWFLSA-N 1 0 365.518 3.429 10 0 FGAERO CCCOc1c(Br)cc(C[NH2+]CC2CC(O)C2)cc1OC ZINC000091524794 494611778 /nfs/dbraw/zinc/61/17/78/494611778.db2.gz GQKCDTJDPCDJLR-UHFFFAOYSA-N 1 0 358.276 3.107 10 0 FGAERO CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc(Cl)c2)C1 ZINC000126216445 494675789 /nfs/dbraw/zinc/67/57/89/494675789.db2.gz ZFROMOGKDDTDAT-SQWLQELKSA-N 1 0 366.889 3.181 10 0 FGAERO Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000092601906 494683973 /nfs/dbraw/zinc/68/39/73/494683973.db2.gz SVFYYHRYIHMEKT-WMZOPIPTSA-N 1 0 372.513 3.081 10 0 FGAERO CCc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc(C(=O)NC)c2)cc1 ZINC000126260371 494689869 /nfs/dbraw/zinc/68/98/69/494689869.db2.gz DJSQHWHTIKJFSF-LSDHHAIUSA-N 1 0 353.466 3.286 10 0 FGAERO Cc1ccccc1[C@H](C)[NH2+]CC(=O)NCCc1cnn(-c2ccccc2)c1 ZINC000126277530 494694377 /nfs/dbraw/zinc/69/43/77/494694377.db2.gz LBBFHKDCQGQUQT-SFHVURJKSA-N 1 0 362.477 3.190 10 0 FGAERO C[C@H](NC(=O)N1CC[NH+](C2CCCC2)CC1)c1cccc(-n2ccnc2)c1 ZINC000080551241 494731344 /nfs/dbraw/zinc/73/13/44/494731344.db2.gz RKEMSCGVJPDLOV-KRWDZBQOSA-N 1 0 367.497 3.203 10 0 FGAERO C[C@@H](NC(=O)N1CC[NH+](C2CCCC2)CC1)c1cccc(-n2ccnc2)c1 ZINC000080551250 494733120 /nfs/dbraw/zinc/73/31/20/494733120.db2.gz RKEMSCGVJPDLOV-QGZVFWFLSA-N 1 0 367.497 3.203 10 0 FGAERO C[C@@H](NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C)c1ccc(-n2cccn2)cc1 ZINC000075348309 494738588 /nfs/dbraw/zinc/73/85/88/494738588.db2.gz BEYVLCQMGRZHOK-DYESRHJHSA-N 1 0 362.477 3.222 10 0 FGAERO COc1cc(NC(=O)CC[N@@H+]2CCC[C@@H]2c2ccco2)cc(OC)c1OC ZINC000116297720 494755610 /nfs/dbraw/zinc/75/56/10/494755610.db2.gz QBRKXOXFLLVJBV-OAHLLOKOSA-N 1 0 374.437 3.471 10 0 FGAERO C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116311442 494758410 /nfs/dbraw/zinc/75/84/10/494758410.db2.gz ZKHGDKSUKXJCFJ-OLZOCXBDSA-N 1 0 366.387 3.255 10 0 FGAERO C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116314107 494759999 /nfs/dbraw/zinc/75/99/99/494759999.db2.gz BTCGFHZWTHUNPT-VYDXJSESSA-N 1 0 358.511 3.023 10 0 FGAERO CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116319505 494760275 /nfs/dbraw/zinc/76/02/75/494760275.db2.gz JJNNZFGVJNBRMG-QAPCUYQASA-N 1 0 354.498 3.361 10 0 FGAERO COc1ccc(C[N@@H+]2CCC[C@H](Cc3noc(C)n3)C2)cc1OC(F)F ZINC000092814030 494761254 /nfs/dbraw/zinc/76/12/54/494761254.db2.gz FIYCTIPBCFFPKZ-CYBMUJFWSA-N 1 0 367.396 3.443 10 0 FGAERO C[C@@H]1CCC[C@@H](C2(O)CN(C(=O)OC(C)(C)C)C2)[N@@H+]1Cc1ccccc1 ZINC000116326586 494762668 /nfs/dbraw/zinc/76/26/68/494762668.db2.gz YUNGHOKGSBFESH-AEFFLSMTSA-N 1 0 360.498 3.411 10 0 FGAERO Cc1sc2nc([C@H](C)[N@@H+]3CC[C@H](c4cnn(C)c4)C3)nc(N)c2c1C ZINC000116323272 494762884 /nfs/dbraw/zinc/76/28/84/494762884.db2.gz PTTFEWJMNKMDQZ-AAEUAGOBSA-N 1 0 356.499 3.174 10 0 FGAERO COc1ccc(C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)cc1Br ZINC000116407937 494774993 /nfs/dbraw/zinc/77/49/93/494774993.db2.gz YLRWDCQZVNQMNP-ZDUSSCGKSA-N 1 0 350.260 3.181 10 0 FGAERO CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@@H](c2cnn(C)c2)C1)c1ccccc1 ZINC000116414688 494779635 /nfs/dbraw/zinc/77/96/35/494779635.db2.gz XLFVZDYSLHPPMN-QUCCMNQESA-N 1 0 369.513 3.002 10 0 FGAERO C[NH+](C)C[C@H]1CN(c2nc(C3CC3)nc3sc4c(c32)CCCC4)CCO1 ZINC000108952199 494810851 /nfs/dbraw/zinc/81/08/51/494810851.db2.gz BFXGJOKKFRBXSB-AWEZNQCLSA-N 1 0 372.538 3.214 10 0 FGAERO C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CC[C@@H](c2cnn(C)c2)C1)c1ccccc1 ZINC000116551688 494813929 /nfs/dbraw/zinc/81/39/29/494813929.db2.gz ATVKVWOZNONWIT-SJLPKXTDSA-N 1 0 369.513 3.048 10 0 FGAERO COCCN(CCCc1ccccc1)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000132142394 494827778 /nfs/dbraw/zinc/82/77/78/494827778.db2.gz FEWDTMQLZPJPDL-ICSRJNTNSA-N 1 0 361.530 3.006 10 0 FGAERO COc1cccc([C@H](CNC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)[NH+](C)C)c1 ZINC000109079597 494828144 /nfs/dbraw/zinc/82/81/44/494828144.db2.gz WIDYOKHWNVRAPA-HLIPFELVSA-N 1 0 374.431 3.496 10 0 FGAERO CC[NH+](CC)[C@H](C(=O)N1CCC[C@H](n2cc(C)cn2)C1)c1ccccc1 ZINC000109125012 494835540 /nfs/dbraw/zinc/83/55/40/494835540.db2.gz 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C[NH+](C)[C@@H]1CCN(C(=O)NCc2ccc(OCc3cccc(F)c3)cc2)C1 ZINC000170828803 495617826 /nfs/dbraw/zinc/61/78/26/495617826.db2.gz JNYBRTGHLDPIIR-LJQANCHMSA-N 1 0 371.456 3.250 10 0 FGAERO CCC(CC)[C@@H](CNC(=O)N1CCC[C@@H]1c1cnn(C)c1)[NH+]1CCCC1 ZINC000170888790 495642761 /nfs/dbraw/zinc/64/27/61/495642761.db2.gz FWQJONUGDJJPTF-RTBURBONSA-N 1 0 361.534 3.167 10 0 FGAERO CC(C)[C@@H](Cc1ccccc1)C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000176440299 495652180 /nfs/dbraw/zinc/65/21/80/495652180.db2.gz QVKZLSINWBOAPY-GHTZIAJQSA-N 1 0 360.542 3.053 10 0 FGAERO Clc1ccc(C2=NO[C@@H](C[NH+]3CCC(Nc4cccnn4)CC3)C2)cc1 ZINC000179607771 495658687 /nfs/dbraw/zinc/65/86/87/495658687.db2.gz WBXSTEDDAURFKJ-QGZVFWFLSA-N 1 0 371.872 3.200 10 0 FGAERO C[C@H](O)C[NH+]1CCC(CN(C)Cc2csc(C3CCCC3)n2)CC1 ZINC000170941685 495660991 /nfs/dbraw/zinc/66/09/91/495660991.db2.gz OEAAYGCOVNUSND-HNNXBMFYSA-N 1 0 351.560 3.325 10 0 FGAERO COc1ccc(-c2ccc(C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)c(F)c2)cc1 ZINC000170946047 495663598 /nfs/dbraw/zinc/66/35/98/495663598.db2.gz DQICXZRQPHTWGR-QGZVFWFLSA-N 1 0 354.425 3.422 10 0 FGAERO CC[C@@H](CC(=O)N1CCCN(Cc2cnn(C)c2)CC1)c1ccc(C)cc1 ZINC000159170896 495675512 /nfs/dbraw/zinc/67/55/12/495675512.db2.gz SWKAXYGHQBUMLP-FQEVSTJZSA-N 1 0 368.525 3.347 10 0 FGAERO COc1ccc([C@H](C)C[NH2+]Cc2nc(COc3ccccc3)n[nH]2)cc1 ZINC000185755051 495712219 /nfs/dbraw/zinc/71/22/19/495712219.db2.gz RLXUKXHEXHXESA-OAHLLOKOSA-N 1 0 352.438 3.286 10 0 FGAERO CCOC(=O)c1cc2cc(NC(=O)N3CC[C@@H]([NH+](C)C)C3)ccc2s1 ZINC000171077163 495714238 /nfs/dbraw/zinc/71/42/38/495714238.db2.gz IFZIQYPTYLHIGK-CQSZACIVSA-N 1 0 361.467 3.246 10 0 FGAERO O=C(Nc1ccc(Cl)c(Br)c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000176628032 495726204 /nfs/dbraw/zinc/72/62/04/495726204.db2.gz JLHQVPYYJKZWOK-LLVKDONJSA-N 1 0 358.667 3.414 10 0 FGAERO C[NH+](C)[C@@H]1CCN(C(=O)NC[C@@H](Cc2ccccc2)c2ccccc2)C1 ZINC000176661458 495739103 /nfs/dbraw/zinc/73/91/03/495739103.db2.gz CKCLVCOLFBZNTO-NHCUHLMSSA-N 1 0 351.494 3.358 10 0 FGAERO C[C@@H](NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C)c1cccc(-n2ccnc2)c1 ZINC000173920967 495747545 /nfs/dbraw/zinc/74/75/45/495747545.db2.gz NOJCBUOQVCNIDU-DYESRHJHSA-N 1 0 362.477 3.222 10 0 FGAERO C[C@@H](NC[C@H](O)C[NH+]1CCCCC1)c1ccc(F)c(Br)c1 ZINC000151258661 495786909 /nfs/dbraw/zinc/78/69/09/495786909.db2.gz YTPVLWLMZXKFBP-OCCSQVGLSA-N 1 0 359.283 3.086 10 0 FGAERO Cc1nc(-c2cccnc2)sc1[C@H](C)NC[C@H](O)C[NH+]1CCCCC1 ZINC000151304733 495800079 /nfs/dbraw/zinc/80/00/79/495800079.db2.gz JXPQQGLDFQMCIV-YOEHRIQHSA-N 1 0 360.527 3.011 10 0 FGAERO Cc1ccc(F)cc1NC(=O)[C@@H](C)[S@@](=O)Cc1nccn1C(C)C ZINC000176878078 495821642 /nfs/dbraw/zinc/82/16/42/495821642.db2.gz AELDEPVGUDTAMZ-OZAJXLCCSA-N 1 0 351.447 3.187 10 0 FGAERO C[NH+](C)C[C@H](NC(=O)NCc1cc(-c2ccccc2)on1)c1ccccc1 ZINC000171328078 495823461 /nfs/dbraw/zinc/82/34/61/495823461.db2.gz STAVQFQNXGBATQ-IBGZPJMESA-N 1 0 364.449 3.444 10 0 FGAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000176891890 495830204 /nfs/dbraw/zinc/83/02/04/495830204.db2.gz GJNCQCHQICRDNW-LBPRGKRZSA-N 1 0 359.297 3.158 10 0 FGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccccc1-c1ccccc1 ZINC000176900910 495834558 /nfs/dbraw/zinc/83/45/58/495834558.db2.gz MUOKGTIFEGBGBS-SFHVURJKSA-N 1 0 365.477 3.235 10 0 FGAERO C[C@@H](CNC(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1)C[NH+]1CCCCC1 ZINC000174173286 495849036 /nfs/dbraw/zinc/84/90/36/495849036.db2.gz OCCVQEMWFWJFQX-ROUUACIJSA-N 1 0 369.513 3.355 10 0 FGAERO C[C@@H]([NH2+]CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)[C@@H]1CCCO1 ZINC000183159319 495860811 /nfs/dbraw/zinc/86/08/11/495860811.db2.gz IWVCAKFUMPAHHJ-BEFAXECRSA-N 1 0 367.449 3.035 10 0 FGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc2cc(Br)ccc2[nH]1 ZINC000176967659 495861778 /nfs/dbraw/zinc/86/17/78/495861778.db2.gz BJCLSDPIWUBBTE-CQSZACIVSA-N 1 0 364.287 3.487 10 0 FGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1nn(-c2ccc(C)cc2)c2c1CCC2 ZINC000176967854 495862202 /nfs/dbraw/zinc/86/22/02/495862202.db2.gz MYFZHIQGKQYAPS-GOSISDBHSA-N 1 0 366.509 3.226 10 0 FGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000176977364 495867592 /nfs/dbraw/zinc/86/75/92/495867592.db2.gz QWNXDWVJNVLGPP-FQEVSTJZSA-N 1 0 365.477 3.495 10 0 FGAERO CN(C)c1ccc(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c(C(F)(F)F)c1 ZINC000171518331 495909648 /nfs/dbraw/zinc/90/96/48/495909648.db2.gz JENGTDKHOUPCSN-AWEZNQCLSA-N 1 0 370.419 3.473 10 0 FGAERO CC[C@H]1CN(C(=O)Nc2cccc(CC(F)(F)F)c2)CC[N@@H+]1CCOC ZINC000174324101 495910271 /nfs/dbraw/zinc/91/02/71/495910271.db2.gz OUHHPRUECBPIJN-INIZCTEOSA-N 1 0 373.419 3.366 10 0 FGAERO C[NH+](C)C[C@@H]1CN(C(=O)N[C@H](CC2CCCC2)c2ccccc2)CCO1 ZINC000151663635 495911892 /nfs/dbraw/zinc/91/18/92/495911892.db2.gz ZDKZMUGGNQVWIW-WOJBJXKFSA-N 1 0 359.514 3.280 10 0 FGAERO CCCCOc1ccc(C[N@@H+]2C[C@@H](C)[C@H](N3CCOCC3)C2)cc1OC ZINC000180232597 495918029 /nfs/dbraw/zinc/91/80/29/495918029.db2.gz IQPONMNKHQSQAE-IEBWSBKVSA-N 1 0 362.514 3.027 10 0 FGAERO COc1ccc(-c2ccc(CNC(=O)NC[C@H]3CCC[N@@H+]3C)cc2)cc1 ZINC000174353718 495924054 /nfs/dbraw/zinc/92/40/54/495924054.db2.gz MPHKUOTYHKEAOE-LJQANCHMSA-N 1 0 353.466 3.256 10 0 FGAERO CC(C)[N@H+]1C[C@H](NC(=O)c2cccc(NC(=O)c3cccs3)c2)[C@@H](C)C1 ZINC000155351406 495930088 /nfs/dbraw/zinc/93/00/88/495930088.db2.gz HOSDCWWXPZLJPB-YOEHRIQHSA-N 1 0 371.506 3.459 10 0 FGAERO COc1ccc(C[C@H](C)C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)cc1OC ZINC000180344072 495959498 /nfs/dbraw/zinc/95/94/98/495959498.db2.gz QMGWKFNRVAGYLO-LPHOPBHVSA-N 1 0 370.493 3.302 10 0 FGAERO C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000171646484 495967185 /nfs/dbraw/zinc/96/71/85/495967185.db2.gz WPWXVAPVUNJWGP-HUUCEWRRSA-N 1 0 358.873 3.496 10 0 FGAERO CCc1nccn1[C@@H]1CCCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000151856752 495970852 /nfs/dbraw/zinc/97/08/52/495970852.db2.gz NGFSWZWHPXVNAR-MRXNPFEDSA-N 1 0 361.534 3.101 10 0 FGAERO CCc1nccn1[C@H]1CCCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000151856833 495971214 /nfs/dbraw/zinc/97/12/14/495971214.db2.gz NGFSWZWHPXVNAR-INIZCTEOSA-N 1 0 361.534 3.101 10 0 FGAERO CCn1cnnc1[C@@H]1CCC[N@H+](C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC000171660170 495977647 /nfs/dbraw/zinc/97/76/47/495977647.db2.gz ZSXALHGLXGEAMX-CJNGLKHVSA-N 1 0 368.403 3.230 10 0 FGAERO CCO[C@H]1C[C@H]([NH2+]Cc2cccc(OC)c2OC(F)F)C12CCOCC2 ZINC000186403689 495984655 /nfs/dbraw/zinc/98/46/55/495984655.db2.gz NDVJBPOGYHXSDX-HOTGVXAUSA-N 1 0 371.424 3.360 10 0 FGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H]1CCc3c1cccc3Br)CC2 ZINC000151908163 495989249 /nfs/dbraw/zinc/98/92/49/495989249.db2.gz VMGBSOMULKAZCZ-ABAIWWIYSA-N 1 0 361.287 3.195 10 0 FGAERO CCO[C@@H]1C[C@H]([NH2+]Cc2nnc(-c3ccccc3)s2)C12CCOCC2 ZINC000186419731 495991213 /nfs/dbraw/zinc/99/12/13/495991213.db2.gz BQZFZTLBGCPINN-JKSUJKDBSA-N 1 0 359.495 3.269 10 0 FGAERO CCO[C@H]1C[C@@H]([NH2+]Cc2nnc(-c3ccccc3)s2)C12CCOCC2 ZINC000186419788 495991404 /nfs/dbraw/zinc/99/14/04/495991404.db2.gz BQZFZTLBGCPINN-CVEARBPZSA-N 1 0 359.495 3.269 10 0 FGAERO O=C(CC[N@@H+]1CCC[C@H](n2cncn2)C1)Nc1cc(Cl)ccc1Cl ZINC000171701859 495995852 /nfs/dbraw/zinc/99/58/52/495995852.db2.gz OFBRJXAAGFTDDO-ZDUSSCGKSA-N 1 0 368.268 3.251 10 0 FGAERO CCO[C@H]1C[C@H]([NH2+]Cc2ccn(-c3ccc(F)cc3)n2)C12CCOCC2 ZINC000186438458 495998577 /nfs/dbraw/zinc/99/85/77/495998577.db2.gz MDSRHECBBONOBO-OALUTQOASA-N 1 0 359.445 3.075 10 0 FGAERO CCO[C@H]1C[C@H]([NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)C12CCOCC2 ZINC000186440750 495999709 /nfs/dbraw/zinc/99/97/09/495999709.db2.gz LUMZADZGGWLIPW-FOIPXRHGSA-N 1 0 367.530 3.451 10 0 FGAERO Cc1noc(C)c1COc1ccccc1C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000155586948 496004250 /nfs/dbraw/zinc/00/42/50/496004250.db2.gz BJRMMEMILMVFOY-IFXJQAMLSA-N 1 0 371.481 3.329 10 0 FGAERO O=C(NC1CC[NH+](Cc2ccncc2)CC1)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000171741406 496016518 /nfs/dbraw/zinc/01/65/18/496016518.db2.gz VGJIIMUXJCYFCY-ROUUACIJSA-N 1 0 371.431 3.244 10 0 FGAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@@H](C)c1ccc(-n3ccnc3)cc1)CC2 ZINC000180510221 496025815 /nfs/dbraw/zinc/02/58/15/496025815.db2.gz ICBKVWBTIVEMFB-DOTOQJQBSA-N 1 0 350.470 3.253 10 0 FGAERO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000171799646 496040679 /nfs/dbraw/zinc/04/06/79/496040679.db2.gz VVXQNOWHDDRASS-FBBABVLZSA-N 1 0 373.541 3.223 10 0 FGAERO CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2cc(C)ccc2OC)ncn1 ZINC000180574450 496051085 /nfs/dbraw/zinc/05/10/85/496051085.db2.gz GXEQWTLNCSKPEW-HOTGVXAUSA-N 1 0 355.486 3.155 10 0 FGAERO CC(C)[N@H+]1C[C@H](NC(=O)CCc2ccc(Br)cc2)[C@@H](C)C1 ZINC000155763224 496059642 /nfs/dbraw/zinc/05/96/42/496059642.db2.gz BYPYFJMBKRTRGE-BBRMVZONSA-N 1 0 353.304 3.227 10 0 FGAERO C[C@@H](CNC(=O)N1CCC[C@H](C(F)(F)F)C1)[N@H+](C)Cc1ccccc1 ZINC000171850987 496063655 /nfs/dbraw/zinc/06/36/55/496063655.db2.gz ATDVYAYXHHYMQG-HOCLYGCPSA-N 1 0 357.420 3.491 10 0 FGAERO C[C@H](CNC(=O)N1CCC[C@H](C(F)(F)F)C1)[N@H+](C)Cc1ccccc1 ZINC000171850989 496063771 /nfs/dbraw/zinc/06/37/71/496063771.db2.gz ATDVYAYXHHYMQG-ZBFHGGJFSA-N 1 0 357.420 3.491 10 0 FGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1Br)CC2 ZINC000180624450 496073374 /nfs/dbraw/zinc/07/33/74/496073374.db2.gz NGHKFBGKGHIWCA-CMPLNLGQSA-N 1 0 367.266 3.408 10 0 FGAERO CCOCCOc1c(Cl)cccc1NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171892034 496079012 /nfs/dbraw/zinc/07/90/12/496079012.db2.gz RXOXMXZIHFHHLP-CQSZACIVSA-N 1 0 367.877 3.067 10 0 FGAERO COCc1cc([C@H](C)[NH2+][C@H]2CCc3nc(C(C)C)nn3C2)ccc1OC ZINC000180648559 496085598 /nfs/dbraw/zinc/08/55/98/496085598.db2.gz SPEHVZGUQLIOQH-YOEHRIQHSA-N 1 0 358.486 3.222 10 0 FGAERO Cc1ccc(CNC(=O)C[NH2+][C@@H](C)c2cccc(-n3ccnc3)c2)cc1F ZINC000180647956 496086243 /nfs/dbraw/zinc/08/62/43/496086243.db2.gz ZRZJXWPQQHHVOI-INIZCTEOSA-N 1 0 366.440 3.287 10 0 FGAERO CCCn1ccc2ccc(NC(=O)C(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc21 ZINC000174744431 496086526 /nfs/dbraw/zinc/08/65/26/496086526.db2.gz AQOHIQALHORLRM-SFHVURJKSA-N 1 0 372.513 3.082 10 0 FGAERO COc1cc([C@@H](C)[NH2+][C@H]2CCc3nc(C(C)C)nn3C2)cc(OC)c1OC ZINC000180651535 496086609 /nfs/dbraw/zinc/08/66/09/496086609.db2.gz 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CC[NH+](CC)[C@H](CNC(=O)N1CCC(c2ccnn2C)CC1)CC(C)C ZINC000155919046 496107368 /nfs/dbraw/zinc/10/73/68/496107368.db2.gz PDGWUXOUPUZKOJ-SFHVURJKSA-N 1 0 363.550 3.066 10 0 FGAERO Fc1ccc([C@H]([NH2+][C@@H]2CCCN(c3cccnn3)C2)c2ccccc2)nc1 ZINC000183771000 496111142 /nfs/dbraw/zinc/11/11/42/496111142.db2.gz MUMHNWLOLMYZNG-WIYYLYMNSA-N 1 0 363.440 3.359 10 0 FGAERO OC[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000152349858 496124452 /nfs/dbraw/zinc/12/44/52/496124452.db2.gz FAQACAQWZWCJDG-DZGCQCFKSA-N 1 0 364.287 3.480 10 0 FGAERO Cc1ccc([C@@H](C[NH2+][C@@H](C)CC(=O)OC(C)(C)C)N2CCOCC2)s1 ZINC000183898814 496153266 /nfs/dbraw/zinc/15/32/66/496153266.db2.gz CGJRPGMUPMGLST-GOEBONIOSA-N 1 0 368.543 3.140 10 0 FGAERO c1ccc(-c2noc(CCC[N@@H+]3CC[C@H](Oc4cccnc4)C3)n2)cc1 ZINC000152485016 496164642 /nfs/dbraw/zinc/16/46/42/496164642.db2.gz TXHOYTCVVXBIDF-SFHVURJKSA-N 1 0 350.422 3.218 10 0 FGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1c(C)nc2ccccc2c1C ZINC000174968573 496186715 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C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N[C@H]2CCO[C@@H](c3cccs3)C2)C1 ZINC000333783895 713843805 /nfs/dbraw/zinc/84/38/05/713843805.db2.gz CCQABRVSVBGEOP-CAOSSQGBSA-N 1 0 351.516 3.140 10 0 FGAERO C[C@H](C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)N1CCCCC1 ZINC000380410386 713976770 /nfs/dbraw/zinc/97/67/70/713976770.db2.gz ZDTXIXWZAZAOOL-FGTMMUONSA-N 1 0 353.551 3.486 10 0 FGAERO C[C@H]([NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)c1cccc(Cl)c1 ZINC000705765382 722412007 /nfs/dbraw/zinc/41/20/07/722412007.db2.gz QQOFSBINMQUVSD-DUVNUKRYSA-N 1 0 354.878 3.218 10 0 FGAERO [NH3+]C[C@@H]1CN(c2ncc(Cl)cc2Br)C[C@H]1C(F)(F)F ZINC000709860147 722413285 /nfs/dbraw/zinc/41/32/85/722413285.db2.gz JYSCBFAUGXKUFJ-HTRCEHHLSA-N 1 0 358.589 3.071 10 0 FGAERO Cc1nc([C@@H]2C[C@@H](O)[C@@H](C[NH2+]Cc3ccc(Cl)cc3Cl)C2)n[nH]1 ZINC000828113257 729440136 /nfs/dbraw/zinc/44/01/36/729440136.db2.gz DKBPLZHUXPECKU-YWPYICTPSA-N 1 0 355.269 3.064 10 0 FGAERO COc1c(C)cc(C[NH2+][C@@H]2CC[C@@H](C(F)(F)F)N(C(C)=O)C2)cc1C ZINC000886031067 739209903 /nfs/dbraw/zinc/20/99/03/739209903.db2.gz IFLRAUGMRGACTQ-CVEARBPZSA-N 1 0 358.404 3.343 10 0 FGAERO COc1ccccc1C[C@H](C)[NH2+][C@H]1CC[C@@H](C(F)(F)F)N(C(C)=O)C1 ZINC000886059742 739213368 /nfs/dbraw/zinc/21/33/68/739213368.db2.gz YZYORDJMXSLESB-NUTKFTJISA-N 1 0 358.404 3.158 10 0 FGAERO CO[C@@H]1CC[N@@H+]([C@H]2CCC[C@H]2NC(=O)c2cc(Cl)ccc2Cl)C1 ZINC000886085515 739216106 /nfs/dbraw/zinc/21/61/06/739216106.db2.gz ITVSENUHEOFDRU-WQVCFCJDSA-N 1 0 357.281 3.365 10 0 FGAERO CC(C)(C)[NH2+]C[C@@H](O)COc1ccc(-c2nc(C(F)(F)F)c[nH]2)cc1 ZINC000028017260 210242585 /nfs/dbraw/zinc/24/25/85/210242585.db2.gz OHUGUDLAWZZRCF-GFCCVEGCSA-N 1 0 357.376 3.223 10 0 FGAERO COC(=O)C1=CO[C@@H](C)[C@H]2CN3CCc4c5ccccc5[nH]c4[C@H]3C[C@H]12 ZINC000105090563 210181242 /nfs/dbraw/zinc/18/12/42/210181242.db2.gz GRTOGORTSDXSFK-NALNUFGESA-N 1 0 352.434 3.179 10 0 FGAERO CC[C@H]1C[C@H]2C[N@@H+]3CCc4c5ccc(OC)cc5[nH]c4[C@](C(=O)OC)(C2)[C@H]13 ZINC000005218023 210179913 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CC(=O)N1CCC([NH2+][C@H]2CCCc3c2cnn3-c2cc(F)cc(F)c2)CC1 ZINC000015073973 211119456 /nfs/dbraw/zinc/11/94/56/211119456.db2.gz VDAGBYBBEPUKNB-IBGZPJMESA-N 1 0 374.435 3.128 10 0 FGAERO CN1C(=O)N(Cc2ccccc2)C2(CC[NH+](C[C@H]3CC=CCC3)CC2)C1=O ZINC000014535999 211095558 /nfs/dbraw/zinc/09/55/58/211095558.db2.gz PYQNNORXLZRRLV-SFHVURJKSA-N 1 0 367.493 3.272 10 0 FGAERO CCC[NH2+]CCOc1ccc(NC(=O)c2c[nH]c3c2C(=O)CCC3)cc1F ZINC000071422085 221347757 /nfs/dbraw/zinc/34/77/57/221347757.db2.gz YZHJISPIBWKWGY-UHFFFAOYSA-N 1 0 373.428 3.304 10 0 FGAERO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(c2ccc(C(F)(F)F)nn2)C1 ZINC000190445839 257368156 /nfs/dbraw/zinc/36/81/56/257368156.db2.gz GJKONPNMIOUTOW-LBPRGKRZSA-N 1 0 371.432 3.219 10 0 FGAERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)Cc2ccc3c(c2)CCC3)C1 ZINC000190584385 257369099 /nfs/dbraw/zinc/36/90/99/257369099.db2.gz DIVNALHSZQBFAP-HXUWFJFHSA-N 1 0 363.505 3.093 10 0 FGAERO Cc1ccc2[nH+]ccc(N3CCC[C@]4(CCC(=O)N(CCCO)C4)C3)c2c1 ZINC000077298774 132179874 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Cc1sc2nc(C[NH2+][C@H]3CCCC[C@H]3n3cccn3)nc(N)c2c1C ZINC000128348392 495083526 /nfs/dbraw/zinc/08/35/26/495083526.db2.gz UXPOHBIZEUJBPM-UONOGXRCSA-N 1 0 356.499 3.360 10 0 FGAERO CC(C)[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H](O)CN1CCCC1=O ZINC000111684377 495095290 /nfs/dbraw/zinc/09/52/90/495095290.db2.gz MBSISHVIKOMOSL-AWEZNQCLSA-N 1 0 359.297 3.187 10 0 FGAERO Cc1c([C@@H](C)[NH2+]C[C@H](C)N2CCOCC2)cnn1-c1cc(C)ccc1C ZINC000123239677 495102067 /nfs/dbraw/zinc/10/20/67/495102067.db2.gz VWJQWLKXYPVXPW-ZWKOTPCHSA-N 1 0 356.514 3.169 10 0 FGAERO CCOCCC1(CNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2CC)CCCC1 ZINC000119152905 495105296 /nfs/dbraw/zinc/10/52/96/495105296.db2.gz YVFKVECENIUSJQ-ZWKOTPCHSA-N 1 0 351.535 3.242 10 0 FGAERO CC(C)[N@H+]1C[C@H](NC(=O)Nc2ccc(NC(=O)c3ccco3)cc2)[C@@H](C)C1 ZINC000119201433 495116655 /nfs/dbraw/zinc/11/66/55/495116655.db2.gz RQSXOZICUVLBEL-YOEHRIQHSA-N 1 0 370.453 3.382 10 0 FGAERO C[NH+](C)C[C@@H](NC(=O)c1cccc(OC[C@@H]2CCCO2)c1)c1ccccc1 ZINC000123495998 495140986 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Cc1cnn([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)N3CCCc4ccccc43)C2)c1 ZINC000106225059 495438101 /nfs/dbraw/zinc/43/81/01/495438101.db2.gz ZMWRWWATSKKRGS-PKOBYXMFSA-N 1 0 352.482 3.196 10 0 FGAERO Cc1ccc(C(=O)NCC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)cc1 ZINC000115158147 495469086 /nfs/dbraw/zinc/46/90/86/495469086.db2.gz DHEVMAQWXGAAHH-OAQYLSRUSA-N 1 0 352.478 3.170 10 0 FGAERO CCO[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)COCc2cccs2)C12CCCC2 ZINC000125659461 495478341 /nfs/dbraw/zinc/47/83/41/495478341.db2.gz PMEBSNDJMIDAGT-CGTJXYLNSA-N 1 0 353.528 3.295 10 0 FGAERO O[C@]12CCCC[C@@H]1C[N@H+](Cc1nn(-c3ccccc3)c3c1CCC3)CC2 ZINC000140409877 495494668 /nfs/dbraw/zinc/49/46/68/495494668.db2.gz AIFLIHZCPXAIRO-VGSWGCGISA-N 1 0 351.494 3.488 10 0 FGAERO COc1ccc([C@@H](C)NC(=O)[C@H](Cc2ccccc2)[NH+](C)C)cc1OC ZINC000106904895 495508950 /nfs/dbraw/zinc/50/89/50/495508950.db2.gz SVXQOXHJRYKRAF-QAPCUYQASA-N 1 0 356.466 3.054 10 0 FGAERO CN(c1ccccc1)C1CCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000106908479 495510272 /nfs/dbraw/zinc/51/02/72/495510272.db2.gz SJBXWCRPCITRGW-QFIPXVFZSA-N 1 0 365.521 3.287 10 0 FGAERO [NH3+]C[C@H](Cc1ccccc1)Nc1nnc(-c2ccc3cnccc3n2)s1 ZINC000142453403 495517054 /nfs/dbraw/zinc/51/70/54/495517054.db2.gz PTROLGUUKHCCFA-HNNXBMFYSA-N 1 0 362.462 3.130 10 0 FGAERO C[NH+](C)C[C@H](NC(=O)Nc1cnn(Cc2ccccc2)c1)c1ccccc1 ZINC000125928639 495519886 /nfs/dbraw/zinc/51/98/86/495519886.db2.gz DVXITOSVSPBDNU-FQEVSTJZSA-N 1 0 363.465 3.356 10 0 FGAERO FC(F)(F)c1ccc(OCC[N@@H+]2CCC[C@@H](Cn3cncn3)C2)cc1 ZINC000107304759 495525031 /nfs/dbraw/zinc/52/50/31/495525031.db2.gz IZCLELHNHSEQRY-CQSZACIVSA-N 1 0 354.376 3.088 10 0 FGAERO C[C@H](NC(=O)N(C)CCCN1CC[NH+](C)CC1)c1ccc(C(C)(C)C)cc1 ZINC000182411812 495554147 /nfs/dbraw/zinc/55/41/47/495554147.db2.gz QGQJDIZUGUTQGR-SFHVURJKSA-N 1 0 374.573 3.324 10 0 FGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N(C)Cc1nc2c(s1)CCCC2 ZINC000176226848 495554479 /nfs/dbraw/zinc/55/44/79/495554479.db2.gz DGODJHSTJPCDPS-AWEZNQCLSA-N 1 0 352.548 3.140 10 0 FGAERO COc1ccc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1OC1CCCC1 ZINC000182430709 495561866 /nfs/dbraw/zinc/56/18/66/495561866.db2.gz MHUBDGWSAVBDIO-DOTOQJQBSA-N 1 0 358.482 3.325 10 0 FGAERO COC(=O)C1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(CC(C)C)cc2)CC1 ZINC000154314667 495577433 /nfs/dbraw/zinc/57/74/33/495577433.db2.gz FASPDBWBBBCYPZ-DLBZAZTESA-N 1 0 374.525 3.336 10 0 FGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 ZINC000176292642 495583865 /nfs/dbraw/zinc/58/38/65/495583865.db2.gz OWOBIZYXFBPOSW-MJGOQNOKSA-N 1 0 361.486 3.192 10 0 FGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccc2ccn(CCOC)c2c1 ZINC000179440014 495591887 /nfs/dbraw/zinc/59/18/87/495591887.db2.gz FAMOEQSUPZUNKJ-SFHVURJKSA-N 1 0 358.486 3.236 10 0 FGAERO C[NH+](C)C[C@H](NC(=O)c1ccc(-c2cncnc2)cc1F)c1ccccc1 ZINC000185495419 495599275 /nfs/dbraw/zinc/59/92/75/495599275.db2.gz LPZHIZHEKGYYOC-FQEVSTJZSA-N 1 0 364.424 3.315 10 0 FGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccc(C(=O)NCC(C)C)cc1C ZINC000176331563 495603890 /nfs/dbraw/zinc/60/38/90/495603890.db2.gz MZVVKJDJXAGTNC-GOSISDBHSA-N 1 0 374.529 3.329 10 0 FGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1cccc(CN2CCCCC2=O)c1 ZINC000176334002 495605361 /nfs/dbraw/zinc/60/53/61/495605361.db2.gz MJUFDYMWVJQDNG-IBGZPJMESA-N 1 0 372.513 3.147 10 0 FGAERO COC(=O)C1CCC(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)CC1 ZINC000179478218 495608030 /nfs/dbraw/zinc/60/80/30/495608030.db2.gz SORMOTHQNJJVQV-UHFFFAOYSA-N 1 0 358.482 3.243 10 0 FGAERO COCCC(C)(C)CNC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000185561073 495621993 /nfs/dbraw/zinc/62/19/93/495621993.db2.gz FGWIYEDXOJIBPX-LJQANCHMSA-N 1 0 361.530 3.403 10 0 FGAERO Cc1cc(CSc2ncccc2C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)no1 ZINC000158960949 495625480 /nfs/dbraw/zinc/62/54/80/495625480.db2.gz ZNBHHRPFNINXPX-GUYCJALGSA-N 1 0 374.510 3.129 10 0 FGAERO CCc1ccc([C@@H](C)CC(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000176437623 495651152 /nfs/dbraw/zinc/65/11/52/495651152.db2.gz AZEMHDDZFNFNLE-ZWKOTPCHSA-N 1 0 360.542 3.294 10 0 FGAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)c2cc3c(s2)CCCCC3)CC1 ZINC000176450748 495655107 /nfs/dbraw/zinc/65/51/07/495655107.db2.gz FZXINTOQBWTHOG-HNNXBMFYSA-N 1 0 364.555 3.182 10 0 FGAERO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(OCC(F)F)cc2)C12CCOCC2 ZINC000185652858 495663199 /nfs/dbraw/zinc/66/31/99/495663199.db2.gz CLGHKALUSQXHMJ-IRXDYDNUSA-N 1 0 355.425 3.394 10 0 FGAERO [NH3+][C@H]1CCC[C@H](C(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)C1 ZINC000150890473 495670486 /nfs/dbraw/zinc/67/04/86/495670486.db2.gz VLHHTJACGJIVBE-RYUDHWBXSA-N 1 0 351.422 3.468 10 0 FGAERO Cn1nccc1C1CCN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000176493020 495671245 /nfs/dbraw/zinc/67/12/45/495671245.db2.gz VIAZAGSOVLOTKA-UHFFFAOYSA-N 1 0 373.545 3.106 10 0 FGAERO O=C(NCC1(c2ccc(F)cc2Cl)CC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000179645302 495674892 /nfs/dbraw/zinc/67/48/92/495674892.db2.gz JJHGAIUBUCKQHE-AWEZNQCLSA-N 1 0 351.853 3.000 10 0 FGAERO CCO[C@@H]1C[C@H](N(C)C(=O)NCCC2CC[NH+](C)CC2)C12CCCC2 ZINC000154678864 495692158 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CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@@H](C)NC(=O)c3ccco3)c2C1 ZINC000154862929 495753540 /nfs/dbraw/zinc/75/35/40/495753540.db2.gz ODLUGABXSYAYIF-CQSZACIVSA-N 1 0 355.438 3.008 10 0 FGAERO CC(C)CC1(C(=O)N2CCN(c3ccc(C[NH+](C)C)cn3)CC2)CCCC1 ZINC000154891871 495763677 /nfs/dbraw/zinc/76/36/77/495763677.db2.gz KQRLWJPRXOZSMC-UHFFFAOYSA-N 1 0 372.557 3.398 10 0 FGAERO C[NH+](C)C[C@H]1CN(C(=O)C2(c3ccc(Cl)c(Cl)c3)CCC2)CCO1 ZINC000176739678 495767983 /nfs/dbraw/zinc/76/79/83/495767983.db2.gz VTXSFTRJFFZDDI-AWEZNQCLSA-N 1 0 371.308 3.204 10 0 FGAERO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@H]1c2ccccc2CCC1(C)C ZINC000185893500 495767977 /nfs/dbraw/zinc/76/79/77/495767977.db2.gz ZNEJQQUNZLIWKR-XLIONFOSSA-N 1 0 372.557 3.025 10 0 FGAERO O=C(NCCc1nccs1)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000171206122 495769176 /nfs/dbraw/zinc/76/91/76/495769176.db2.gz USHZGLJWKZDRBS-QGZVFWFLSA-N 1 0 358.511 3.040 10 0 FGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2cccc(-c3cccs3)c2)C1 ZINC000176748547 495772250 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FGAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000186241815 495910292 /nfs/dbraw/zinc/91/02/92/495910292.db2.gz DLZAIGCEZZLEDF-WOJBJXKFSA-N 1 0 372.896 3.413 10 0 FGAERO CCO[C@H]1C[C@@H]([NH2+]CCCN(C)c2ccccc2F)C12CCOCC2 ZINC000186263868 495919412 /nfs/dbraw/zinc/91/94/12/495919412.db2.gz BIYZCUVKVSSEEQ-MOPGFXCFSA-N 1 0 350.478 3.216 10 0 FGAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)C12CCOCC2 ZINC000186281686 495928145 /nfs/dbraw/zinc/92/81/45/495928145.db2.gz MIGHLPKQUGCTHB-ZYSHUDEJSA-N 1 0 374.481 3.268 10 0 FGAERO Cc1nn(C)c2ncc(C[N@@H+]3CCC[C@@H]3C[C@H](O)c3ccccc3)cc12 ZINC000174384607 495935804 /nfs/dbraw/zinc/93/58/04/495935804.db2.gz QVLYJWORVFACBU-QUCCMNQESA-N 1 0 350.466 3.365 10 0 FGAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCN(c3ccccc3OC)C2)C12CCOCC2 ZINC000186303873 495937596 /nfs/dbraw/zinc/93/75/96/495937596.db2.gz KWXMKKAMOMRRKE-IOMROCGXSA-N 1 0 374.525 3.085 10 0 FGAERO OCCCCCC[NH2+][C@@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186309401 495940096 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3.056 10 0 FGAERO CC(C)[C@H](NC(=O)C[N@@H+]1CC[C@H](CNc2ccccn2)C1)c1ccccc1 ZINC000171644023 495962771 /nfs/dbraw/zinc/96/27/71/495962771.db2.gz FJFPHUUAQMPBCM-GCJKJVERSA-N 1 0 366.509 3.329 10 0 FGAERO CC(C)c1nnc2n1C[C@H]([NH2+]Cc1ccc3c(c1)COC(C)(C)O3)CC2 ZINC000186374966 495970800 /nfs/dbraw/zinc/97/08/00/495970800.db2.gz FYMVLLBYPWTDSW-MRXNPFEDSA-N 1 0 356.470 3.151 10 0 FGAERO CCOC(=O)N(C)c1ccc(NC(=O)[C@H](Cc2ccccc2)[NH+](C)C)cc1 ZINC000171665526 495980177 /nfs/dbraw/zinc/98/01/77/495980177.db2.gz YWUNGFYJGDVDMP-IBGZPJMESA-N 1 0 369.465 3.391 10 0 FGAERO CCO[C@H]1C[C@H]([NH2+]CCc2nc(-c3ccccn3)cs2)C12CCOCC2 ZINC000186410886 495988575 /nfs/dbraw/zinc/98/85/75/495988575.db2.gz JJPXICDLQHLYFJ-ROUUACIJSA-N 1 0 373.522 3.311 10 0 FGAERO CCO[C@H]1C[C@@H]([NH2+]CCOCc2ccc(Cl)cc2)C12CCOCC2 ZINC000186432421 495996677 /nfs/dbraw/zinc/99/66/77/495996677.db2.gz KNBPAEUOULVCLV-MSOLQXFVSA-N 1 0 353.890 3.420 10 0 FGAERO C[C@H]1C[N@H+](CCOc2cc(Cl)ccc2Cl)C[C@@H]1N1CCOCC1 ZINC000177262145 496000062 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C[C@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)[C@H]1CCC[NH2+]C1)OCCO3 ZINC000152045500 496031786 /nfs/dbraw/zinc/03/17/86/496031786.db2.gz WWKXLMKYUIHDNB-HOTGVXAUSA-N 1 0 370.493 3.172 10 0 FGAERO C[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000180598966 496062549 /nfs/dbraw/zinc/06/25/49/496062549.db2.gz PAPQPKVGVLMAHC-NXEZZACHSA-N 1 0 374.338 3.147 10 0 FGAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](CC)c1ccccc1OC(F)F)CC2 ZINC000180609402 496067713 /nfs/dbraw/zinc/06/77/13/496067713.db2.gz YAGRNBDZBAWMSU-GXTWGEPZSA-N 1 0 350.413 3.498 10 0 FGAERO COc1ccc([C@H](C)[NH2+][C@@H]2CCc3nc(C(C)C)nn3C2)cc1NC(C)=O ZINC000180646393 496084141 /nfs/dbraw/zinc/08/41/41/496084141.db2.gz VPMZKAIIVSRGQH-XJKSGUPXSA-N 1 0 371.485 3.034 10 0 FGAERO COCCc1nc(C)c([C@@H](C)[NH2+][C@@H]2CCc3nc(C(C)C)nn3C2)s1 ZINC000180653884 496088603 /nfs/dbraw/zinc/08/86/03/496088603.db2.gz RZGUYRVJDMPGBK-TZMCWYRMSA-N 1 0 363.531 3.021 10 0 FGAERO COc1ccc(NC(=O)C[NH2+][C@H](C)c2cccc(-n3ccnc3)c2)cc1 ZINC000180654071 496088944 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CC[NH+](CC)[C@@H](C)CNC(=O)c1cc(OC(F)F)cc(OC(F)F)c1 ZINC000180729015 705755449 /nfs/dbraw/zinc/75/54/49/705755449.db2.gz MEZMTNTZJHHEGV-JTQLQIEISA-N 1 0 366.355 3.350 10 0 FGAERO CCc1nc(NC(=O)C[NH2+][C@@H](C)c2ccc(OC)c(OC)c2)sc1C ZINC000180883038 705761652 /nfs/dbraw/zinc/76/16/52/705761652.db2.gz JSLGGPVEJTYTND-NSHDSACASA-N 1 0 363.483 3.320 10 0 FGAERO COc1cccc(S(=O)(=O)CC[NH2+][C@@H](C)c2ccc(C)c(F)c2)c1 ZINC000181347927 705788138 /nfs/dbraw/zinc/78/81/38/705788138.db2.gz LMVVEHRCPJDVNN-AWEZNQCLSA-N 1 0 351.443 3.267 10 0 FGAERO C[C@H]([NH2+]CC(=O)N(C)c1nccs1)c1cccc(Br)c1 ZINC000182578685 705851712 /nfs/dbraw/zinc/85/17/12/705851712.db2.gz YOKXOFFMJUKCPF-JTQLQIEISA-N 1 0 354.273 3.219 10 0 FGAERO C[C@H]([NH2+]CC(=O)NC(=O)NCc1cccs1)c1ccc(Cl)s1 ZINC000183013753 705873677 /nfs/dbraw/zinc/87/36/77/705873677.db2.gz HGGQUZBZDWWWAD-VIFPVBQESA-N 1 0 357.888 3.140 10 0 FGAERO Cc1cccc(Cc2cnc(NC(=O)C[NH2+][C@H](C)[C@@H]3CCCO3)s2)c1 ZINC000183182497 705881096 /nfs/dbraw/zinc/88/10/96/705881096.db2.gz HSKBHUJOAYCYNU-PBHICJAKSA-N 1 0 359.495 3.138 10 0 FGAERO CSC1(C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)CCOCC1 ZINC000183612849 705893535 /nfs/dbraw/zinc/89/35/35/705893535.db2.gz BIUJYOUTHMEWPP-OAHLLOKOSA-N 1 0 358.548 3.278 10 0 FGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cc(Br)ncc1Cl ZINC000187403285 712741285 /nfs/dbraw/zinc/74/12/85/712741285.db2.gz CMXZQUNFOBFXIL-SNVBAGLBSA-N 1 0 362.699 3.204 10 0 FGAERO COC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)s1 ZINC000191917907 712846626 /nfs/dbraw/zinc/84/66/26/712846626.db2.gz NUAWDQUFMQIZSP-TZMCWYRMSA-N 1 0 368.499 3.318 10 0 FGAERO COc1cccc(C[NH2+]C[C@@H](c2ccc(C)s2)N2CCOCC2)c1F ZINC000192680821 712870804 /nfs/dbraw/zinc/87/08/04/712870804.db2.gz NWOQGYWFTSSSIV-INIZCTEOSA-N 1 0 364.486 3.367 10 0 FGAERO Cc1nn(-c2ccccc2)c2sc(C(=O)N[C@@H]3CCC[NH2+][C@H]3C)cc12 ZINC000193546090 712895361 /nfs/dbraw/zinc/89/53/61/712895361.db2.gz RMKOUKUEDCKEFK-XJKSGUPXSA-N 1 0 354.479 3.266 10 0 FGAERO CC[C@H](Cc1cccc(Br)c1)C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000193550049 712895680 /nfs/dbraw/zinc/89/56/80/712895680.db2.gz ROKBUFOKUAPJBI-XPKDYRNWSA-N 1 0 353.304 3.275 10 0 FGAERO O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)[C@@H]1CSCCS1 ZINC000195270998 713551311 /nfs/dbraw/zinc/55/13/11/713551311.db2.gz VAUNPJAJMSWXKS-SJORKVTESA-N 1 0 350.553 3.006 10 0 FGAERO [NH3+][C@H]1CCCN(C(=O)c2ccc(Br)cc2C(F)(F)F)C1 ZINC000229512747 713575916 /nfs/dbraw/zinc/57/59/16/713575916.db2.gz OCSSISWLRYRCKT-VIFPVBQESA-N 1 0 351.166 3.031 10 0 FGAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)CCc1cc(Cl)ccc1Br ZINC000238026904 713600094 /nfs/dbraw/zinc/60/00/94/713600094.db2.gz GIRJZVAUZPZXGD-SMDDNHRTSA-N 1 0 359.695 3.279 10 0 FGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(Br)nc1C ZINC000245983427 713614967 /nfs/dbraw/zinc/61/49/67/713614967.db2.gz BLRAVSOVLMKSMB-STQMWFEESA-N 1 0 367.291 3.243 10 0 FGAERO CC(C)N1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000246184416 713619180 /nfs/dbraw/zinc/61/91/80/713619180.db2.gz HIBIWOURWQBWMB-VGUREELVSA-N 1 0 351.535 3.235 10 0 FGAERO CC(C)Cn1c(=S)n(CN2CC[N@@H+]3CCC[C@H]3C2)nc1-c1ccco1 ZINC000247159552 713636399 /nfs/dbraw/zinc/63/63/99/713636399.db2.gz SMMJEZHUIKUZJD-HNNXBMFYSA-N 1 0 361.515 3.068 10 0 FGAERO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@@H]1CCCC[C@H]1CO ZINC000252696063 713673547 /nfs/dbraw/zinc/67/35/47/713673547.db2.gz LSIGUDDHBHSOKB-UWWQBHOKSA-N 1 0 352.906 3.218 10 0 FGAERO CC(C)Oc1ccc(CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])c(C(F)(F)F)c1 ZINC000261712920 713713157 /nfs/dbraw/zinc/71/31/57/713713157.db2.gz JLCHLWZXKKRYOA-IUODEOHRSA-N 1 0 358.404 3.484 10 0 FGAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)CSc1nc2ccccc2s1 ZINC000261782297 713714232 /nfs/dbraw/zinc/71/42/32/713714232.db2.gz HMWBVJGCALPZDM-JPZVUWATSA-N 1 0 361.536 3.411 10 0 FGAERO C[C@]1([NH3+])CCCC[C@H]1C(=O)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000263030249 713734469 /nfs/dbraw/zinc/73/44/69/713734469.db2.gz RVGAXCVFJUDPMK-VBQJREDUSA-N 1 0 367.287 3.297 10 0 FGAERO CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C[NH2+][C@H]2CCCC[C@@H]2C(C)(C)C)C1 ZINC000702761267 722410695 /nfs/dbraw/zinc/41/06/95/722410695.db2.gz BJYVCQYJXLSTHD-QZWWFDLISA-N 1 0 354.535 3.409 10 0 FGAERO C[C@H]([NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)c1ccccc1Cl ZINC000702812235 722410927 /nfs/dbraw/zinc/41/09/27/722410927.db2.gz DTYJVDDTFWOGJU-XEZPLFJOSA-N 1 0 354.878 3.218 10 0 FGAERO CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](C[NH2+]Cc2csc3ccccc23)C1 ZINC000702768114 722410941 /nfs/dbraw/zinc/41/09/41/722410941.db2.gz RJEZWRHSRVFDFC-BBRMVZONSA-N 1 0 362.495 3.219 10 0 FGAERO CCc1ccc([C@H](C)[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)s1 ZINC000705766737 722412000 /nfs/dbraw/zinc/41/20/00/722412000.db2.gz LRDIBAJWGBZHCJ-GZBFAFLISA-N 1 0 354.516 3.189 10 0 FGAERO C[C@@H](c1ccc(Br)cc1)N1CCc2sc(C[NH3+])nc2C1 ZINC000710242005 722413458 /nfs/dbraw/zinc/41/34/58/722413458.db2.gz WCXJCRVESYMBNW-JTQLQIEISA-N 1 0 352.301 3.484 10 0 FGAERO Clc1cc(Br)cnc1N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000720283002 722419155 /nfs/dbraw/zinc/41/91/55/722419155.db2.gz XCVCHTHHOAOQRO-NSHDSACASA-N 1 0 360.683 3.068 10 0 FGAERO CN(Cc1ccc(Cl)c(F)c1)C(=O)c1cn[nH]c1[C@H]1CCCC[NH2+]1 ZINC000864799153 733102778 /nfs/dbraw/zinc/10/27/78/733102778.db2.gz JSUAWVUAIKPVSU-OAHLLOKOSA-N 1 0 350.825 3.289 10 0 FGAERO Cn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H]([NH2+]Cc1ccsc1)C2 ZINC000014754112 220132675 /nfs/dbraw/zinc/13/26/75/220132675.db2.gz RZDZGUPLQZCNLK-MRXNPFEDSA-N 1 0 372.538 3.145 10 0 FGAERO COCC[N@@H+]1CCC[C@@]2(CCN(Cc3c[nH]nc3C3CCCCC3)C2)C1 ZINC000015064025 220143730 /nfs/dbraw/zinc/14/37/30/220143730.db2.gz XEFRMFFGVVUQQK-OAQYLSRUSA-N 1 0 360.546 3.392 10 0 FGAERO c1nn(-c2ccccn2)c2c1[C@H]([NH2+]Cc1ccc3nsnc3c1)CCC2 ZINC000015067540 220144505 /nfs/dbraw/zinc/14/45/05/220144505.db2.gz PQSYRXXGIOTYAD-OAHLLOKOSA-N 1 0 362.462 3.439 10 0 FGAERO Cc1nn(C(C)C)c2nc(C3CC3)cc(C(=O)N3CC[N@@H+]4CCC[C@H]4C3)c12 ZINC000017075479 220205032 /nfs/dbraw/zinc/20/50/32/220205032.db2.gz JHBABFJPNWBRBM-INIZCTEOSA-N 1 0 367.497 3.118 10 0 FGAERO FC(F)(F)c1ccc(-c2n[nH]c3c2C[N@H+](C[C@H]2CCOC2)CC3)cc1 ZINC000020212523 220319224 /nfs/dbraw/zinc/31/92/24/220319224.db2.gz FYNSDBCUWIHXOG-GFCCVEGCSA-N 1 0 351.372 3.490 10 0 FGAERO COc1cc2c(cc1OC)CN([C@H]1CCC[N@H+](Cc3ccncc3)C1)CC2 ZINC000020324146 220322691 /nfs/dbraw/zinc/32/26/91/220322691.db2.gz PFSFVBJCQMUUNT-FQEVSTJZSA-N 1 0 367.493 3.122 10 0 FGAERO Cc1cc(=O)[nH]c(-c2cccc(CN3CC[N@@H+](C)C[C@@H]3c3ccccc3)c2)n1 ZINC000020726504 220339498 /nfs/dbraw/zinc/33/94/98/220339498.db2.gz FSFUCNIAHMPSRO-OAQYLSRUSA-N 1 0 374.488 3.234 10 0 FGAERO Cc1n2c(c[n+]1[O-])C[N+](=O)C(c1ccccc1F)c1cc(Cl)ccc1-2 ZINC000022054576 220375823 /nfs/dbraw/zinc/37/58/23/220375823.db2.gz WBIWFQPWSUQUEA-UHFFFAOYSA-N 1 0 357.772 3.073 10 0 in-vitro FGAERO CN(C)c1ncc(C[N@@H+]2CCC[C@@H](Nc3ccc4c(c3)OCCO4)C2)s1 ZINC000055326163 221065765 /nfs/dbraw/zinc/06/57/65/221065765.db2.gz LGAKYYQQPDOXCQ-OAHLLOKOSA-N 1 0 374.510 3.057 10 0 FGAERO Cc1nn(C)c(N2CCOCC2)c1C[N@@H+](Cc1ccco1)[C@@H](C)C(C)C ZINC000055369788 221067409 /nfs/dbraw/zinc/06/74/09/221067409.db2.gz RZRKVDMCQDMNGY-KRWDZBQOSA-N 1 0 360.502 3.205 10 0 FGAERO Cc1nc(C2CC[NH2+]CC2)cc(N2CCC[C@@H]2c2nc3ccccc3[nH]2)n1 ZINC000067650323 221266943 /nfs/dbraw/zinc/26/69/43/221266943.db2.gz KEYPYIIPUXSAQQ-LJQANCHMSA-N 1 0 362.481 3.470 10 0 FGAERO [NH3+]C[C@H]1CCCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000044556566 257340918 /nfs/dbraw/zinc/34/09/18/257340918.db2.gz CRUAESZGSJORQQ-SECBINFHSA-N 1 0 357.690 3.149 10 0 FGAERO C[C@@H](N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1nnc2n1CCCC2 ZINC000249037893 257370827 /nfs/dbraw/zinc/37/08/27/257370827.db2.gz TWZWGQFRQRZRFJ-AFYVEPGGSA-N 1 0 365.525 3.461 10 0 FGAERO CCO[C@@H]1C[C@H]([NH2+]C[C@@](C)(O)c2ccccc2Cl)C12CCOCC2 ZINC000249033918 257371069 /nfs/dbraw/zinc/37/10/69/257371069.db2.gz SYQDWMCSNHSLPK-RCCFBDPRSA-N 1 0 353.890 3.111 10 0 FGAERO CCC[N@@H+]1CCc2nc[nH]c2C12CCN(c1ncnc3sccc31)CC2 ZINC000095509620 132212942 /nfs/dbraw/zinc/21/29/42/132212942.db2.gz YOTUFKDDTUAQJP-UHFFFAOYSA-N 1 0 368.510 3.178 10 0 FGAERO CC[NH+]1CCN(c2ccc(N)cc2NC(=O)c2ccc(Cl)cc2)CC1 ZINC000226258935 132374696 /nfs/dbraw/zinc/37/46/96/132374696.db2.gz HRSDFSDDCZDTHS-UHFFFAOYSA-N 1 0 358.873 3.316 10 0 FGAERO CC[NH+]1CCN(c2ccc(N)cc2NC(=O)c2cccc(Cl)c2)CC1 ZINC000226258868 132374748 /nfs/dbraw/zinc/37/47/48/132374748.db2.gz PCMKRYMVTLRDSZ-UHFFFAOYSA-N 1 0 358.873 3.316 10 0 FGAERO O[C@@H]1C[C@@](C[NH2+]Cc2ccc(Cl)cc2)(COc2ccccc2)C[C@@H]1O ZINC000107430297 222394817 /nfs/dbraw/zinc/39/48/17/222394817.db2.gz PMDUKLCELBJBGK-ACDBMABISA-N 1 0 361.869 3.011 10 0 FGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N(C)Cc1ccc(SC)c(OC)c1 ZINC000057612427 493778217 /nfs/dbraw/zinc/77/82/17/493778217.db2.gz LMGRDZFKUWNYCB-AWEZNQCLSA-N 1 0 353.532 3.289 10 0 FGAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc(NC(=O)c3ccco3)c(C)c2)C1 ZINC000057869490 493810482 /nfs/dbraw/zinc/81/04/82/493810482.db2.gz KQSCRCYBOWTDMO-INIZCTEOSA-N 1 0 370.453 3.446 10 0 FGAERO CC(C)NC(=O)Nc1ccc(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)cc1 ZINC000048399853 493826424 /nfs/dbraw/zinc/82/64/24/493826424.db2.gz BIQXTCQIDFIRQA-LJQANCHMSA-N 1 0 368.481 3.249 10 0 FGAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCc1cccc(OCC(F)(F)F)c1 ZINC000061870400 493996759 /nfs/dbraw/zinc/99/67/59/493996759.db2.gz HENOXGPIZWFWMA-ZDUSSCGKSA-N 1 0 361.408 3.157 10 0 FGAERO C[C@@](O)(C[N@@H+]1CCCN(C(=O)CCc2ccccc2)CC1)c1ccccc1 ZINC000083243762 494013190 /nfs/dbraw/zinc/01/31/90/494013190.db2.gz BIWWZOYBZZXAMY-HSZRJFAPSA-N 1 0 366.505 3.061 10 0 FGAERO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(Cc2ccc3ccccc3n2)CC1 ZINC000077173452 494026136 /nfs/dbraw/zinc/02/61/36/494026136.db2.gz XTUMZHUMYDLPIG-RTBURBONSA-N 1 0 352.526 3.225 10 0 FGAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1cc(F)ccc1Br ZINC000083703895 494031224 /nfs/dbraw/zinc/03/12/24/494031224.db2.gz JDCZDNCSHRKKPY-WCQYABFASA-N 1 0 355.251 3.287 10 0 FGAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)C1 ZINC000052592445 494043406 /nfs/dbraw/zinc/04/34/06/494043406.db2.gz DBSZQZAHQOLYMU-JKSUJKDBSA-N 1 0 356.470 3.201 10 0 FGAERO COc1ccc([C@H](C)NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc1OC ZINC000085359154 494116498 /nfs/dbraw/zinc/11/64/98/494116498.db2.gz ZYBJCAGYMBNGJO-UONOGXRCSA-N 1 0 351.491 3.040 10 0 FGAERO CC[NH+](CC)CCOc1ccccc1NC(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000077673934 494138298 /nfs/dbraw/zinc/13/82/98/494138298.db2.gz OBHFPQIFXOSVQQ-WMZOPIPTSA-N 1 0 363.502 3.080 10 0 FGAERO COc1cccc([C@@H](CNC(=O)N[C@H]2CCc3ccccc32)[NH+](C)C)c1 ZINC000053540180 494144986 /nfs/dbraw/zinc/14/49/86/494144986.db2.gz ZGXCBJRTKWMOHO-VQTJNVASSA-N 1 0 353.466 3.285 10 0 FGAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2c(C)cc(Br)cc2OC)C1 ZINC000065818892 494242890 /nfs/dbraw/zinc/24/28/90/494242890.db2.gz ZYVVYISWZQJZHH-ZDUSSCGKSA-N 1 0 370.291 3.372 10 0 FGAERO C[C@@H](NC(=O)N1CC[C@H]([NH+]2CCCC2)C1)c1cccc(Br)c1 ZINC000066178133 494285040 /nfs/dbraw/zinc/28/50/40/494285040.db2.gz ZNJJXQUWACLDQJ-CJNGLKHVSA-N 1 0 366.303 3.390 10 0 FGAERO Cc1nc(-c2ccc(NC(=O)NC[C@@H](O)C[NH+]3CCCCC3)cc2)cs1 ZINC000043854525 494325558 /nfs/dbraw/zinc/32/55/58/494325558.db2.gz MKWUYOLCUWIKAO-QGZVFWFLSA-N 1 0 374.510 3.087 10 0 FGAERO Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCCN(c3cccnn3)C2)c1C ZINC000089732489 494350266 /nfs/dbraw/zinc/35/02/66/494350266.db2.gz NMPQDPZLKAUMHK-WMZOPIPTSA-N 1 0 367.497 3.069 10 0 FGAERO [NH3+]C1(Cc2ccc(F)cc2Cl)CCN(c2ncnc3[nH]ccc32)CC1 ZINC000045391653 494423007 /nfs/dbraw/zinc/42/30/07/494423007.db2.gz ZXINHOSBLHPIPU-UHFFFAOYSA-N 1 0 359.836 3.291 10 0 FGAERO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCC[C@@H]2C[C@H](O)c2ccccc2)C1 ZINC000074104117 494482068 /nfs/dbraw/zinc/48/20/68/494482068.db2.gz HTTFMHKJRYZMIT-NRSPTQNISA-N 1 0 373.541 3.405 10 0 FGAERO C[NH+](C)[C@H]1CCN(C(=O)Nc2cccc(C[S@@](=O)c3ccccc3)c2)C1 ZINC000115776526 494619952 /nfs/dbraw/zinc/61/99/52/494619952.db2.gz CNHJHBUDQXALSC-QYBDOPJKSA-N 1 0 371.506 3.162 10 0 FGAERO CCN(CC)C(=O)c1ccccc1NC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000121172946 494631671 /nfs/dbraw/zinc/63/16/71/494631671.db2.gz QWMOCGICTIYKRJ-MAUKXSAKSA-N 1 0 360.502 3.019 10 0 FGAERO CC(=O)N1CC[N@H+](Cc2cccc3c4ccccc4sc32)C[C@@H](O)C1 ZINC000091645411 494637081 /nfs/dbraw/zinc/63/70/81/494637081.db2.gz NBYVIZNJHKUOCX-MRXNPFEDSA-N 1 0 354.475 3.080 10 0 FGAERO O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC(Cn2cccn2)CC1 ZINC000126159631 494655887 /nfs/dbraw/zinc/65/58/87/494655887.db2.gz CTXWYMXDQPNQBV-OAQYLSRUSA-N 1 0 366.509 3.034 10 0 FGAERO Cc1nc(C(F)(F)F)ccc1C(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000024757724 494662114 /nfs/dbraw/zinc/66/21/14/494662114.db2.gz QVUCSWVJBJJBLS-HNNXBMFYSA-N 1 0 351.372 3.442 10 0 FGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc(OC)ccc1Br ZINC000092632260 494691706 /nfs/dbraw/zinc/69/17/06/494691706.db2.gz GEFNKTCFKFAYJN-LBPRGKRZSA-N 1 0 355.276 3.014 10 0 FGAERO CCc1ccc([C@H](C)[NH2+]CC(=O)N(C)c2ccccc2C(=O)OC)cc1 ZINC000121307888 494692701 /nfs/dbraw/zinc/69/27/01/494692701.db2.gz SAZHOWXFRHJJJB-HNNXBMFYSA-N 1 0 354.450 3.349 10 0 FGAERO COc1c(C[N@H+](C)CCCc2cc(-c3ccccc3)no2)c(C)nn1C ZINC000092664174 494703778 /nfs/dbraw/zinc/70/37/78/494703778.db2.gz PDLWJNMOQVXLBE-UHFFFAOYSA-N 1 0 354.454 3.457 10 0 FGAERO C[C@H](NC(=O)NC[C@@H]1CCC[N@H+](C)C1)c1cccc(Br)c1 ZINC000108551124 494735353 /nfs/dbraw/zinc/73/53/53/494735353.db2.gz MRXKSHQLVLADPM-STQMWFEESA-N 1 0 354.292 3.151 10 0 FGAERO COc1ccc(CN(C)C(=O)[C@@H](C)[N@@H+]2CCC[C@@H]2c2ccco2)cc1OC ZINC000116295154 494753469 /nfs/dbraw/zinc/75/34/69/494753469.db2.gz SAOMMGHWPMWIHR-NVXWUHKLSA-N 1 0 372.465 3.481 10 0 FGAERO Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3cn(C)nc3-c3ccncc3)C2)n1 ZINC000092813355 494761008 /nfs/dbraw/zinc/76/10/08/494761008.db2.gz BOIDPDLELFMZKH-KRWDZBQOSA-N 1 0 362.481 3.120 10 0 FGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@@H](C)c2ncc(-c3ccccc3)o2)C1 ZINC000121452851 494763197 /nfs/dbraw/zinc/76/31/97/494763197.db2.gz ICVWIERHDVFXSV-VYDXJSESSA-N 1 0 356.470 3.431 10 0 FGAERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1ccccc1N1C[C@@H](C)O[C@@H](C)C1 ZINC000047809478 494778360 /nfs/dbraw/zinc/77/83/60/494778360.db2.gz OUMHNHNKRUVQFG-YESZJQIVSA-N 1 0 362.518 3.152 10 0 FGAERO CNC(=O)c1cc(NC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)ccc1Cl ZINC000047814451 494779755 /nfs/dbraw/zinc/77/97/55/494779755.db2.gz CIXFJMQAGWUTNB-KRWDZBQOSA-N 1 0 374.872 3.124 10 0 FGAERO CCC[C@@H](C(=O)Nc1cnn(-c2ccccc2Br)c1)[NH+](C)C ZINC000126630091 494805626 /nfs/dbraw/zinc/80/56/26/494805626.db2.gz KBVPLXOHMFKFLN-HNNXBMFYSA-N 1 0 365.275 3.304 10 0 FGAERO c1cc(-c2nc3ccccc3s2)oc1C[NH2+][C@@H]1CCc2ncnn2C1 ZINC000109072296 494826838 /nfs/dbraw/zinc/82/68/38/494826838.db2.gz QFADODKWPHBNMW-GFCCVEGCSA-N 1 0 351.435 3.252 10 0 FGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000132168770 494833085 /nfs/dbraw/zinc/83/30/85/494833085.db2.gz IMUMFGBEAFNOMY-CJNGLKHVSA-N 1 0 368.319 3.319 10 0 FGAERO CC(=O)Nc1ccccc1C[N@H+](C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000121744019 494851010 /nfs/dbraw/zinc/85/10/10/494851010.db2.gz DFNBLNAWTAOCIE-IBGZPJMESA-N 1 0 373.522 3.212 10 0 FGAERO CC(C)[N@H+]1C[C@H](NC(=O)N2CCC(Oc3ccc(F)cc3)CC2)[C@@H](C)C1 ZINC000132293791 494852142 /nfs/dbraw/zinc/85/21/42/494852142.db2.gz SIRHOXFOIMFOJC-KXBFYZLASA-N 1 0 363.477 3.107 10 0 FGAERO CN(c1cccnn1)C1CC[NH+](Cc2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000093272533 494853853 /nfs/dbraw/zinc/85/38/53/494853853.db2.gz RTFHPTHLTNRSJG-UHFFFAOYSA-N 1 0 352.482 3.291 10 0 FGAERO C[NH+](C)C[C@@H]1CN(C(=O)N[C@H](c2ccc(Cl)cc2)C2CCC2)CCO1 ZINC000117045775 494886892 /nfs/dbraw/zinc/88/68/92/494886892.db2.gz PYZXNFCWFHFJKY-MSOLQXFVSA-N 1 0 365.905 3.153 10 0 FGAERO Cc1nc(C)n(C[C@H]2CCC[N@H+](Cc3cn(-c4ccccc4)nc3C)C2)n1 ZINC000121924165 494891260 /nfs/dbraw/zinc/89/12/60/494891260.db2.gz NLMWKTHVKAFBTR-IBGZPJMESA-N 1 0 364.497 3.301 10 0 FGAERO CC[C@@H](Cc1cccc(Br)c1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000117251543 494904935 /nfs/dbraw/zinc/90/49/35/494904935.db2.gz SIBPWLWGMAVAMD-HOCLYGCPSA-N 1 0 353.304 3.180 10 0 FGAERO CC[C@@H]1CN(C(=O)Nc2ccccc2C(F)(F)F)CC[N@@H+]1CCOC ZINC000117399237 494916726 /nfs/dbraw/zinc/91/67/26/494916726.db2.gz JZOHYMHCRSXMRJ-CYBMUJFWSA-N 1 0 359.392 3.280 10 0 FGAERO O[C@@H](COCc1ccccc1)C[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000117432432 494918645 /nfs/dbraw/zinc/91/86/45/494918645.db2.gz AKILCNBIUBFFQQ-CYBMUJFWSA-N 1 0 371.321 3.381 10 0 FGAERO CC[C@H]1CN(C(=O)Nc2cccc(N(C)C(C)C)c2)CC[N@@H+]1CCOC ZINC000117456915 494922470 /nfs/dbraw/zinc/92/24/70/494922470.db2.gz FWGKPJPPNRKPDG-SFHVURJKSA-N 1 0 362.518 3.106 10 0 FGAERO Cc1ccc(Br)c(C(=O)N2C[C@H]3CCCC[N@H+]3C[C@@H]2C)c1 ZINC000127346087 494931472 /nfs/dbraw/zinc/93/14/72/494931472.db2.gz PWVOTXGAHLCWMF-UONOGXRCSA-N 1 0 351.288 3.456 10 0 FGAERO O[C@H]1CCCC[C@H]1[NH+]1CCC(Nc2cncc(Br)c2)CC1 ZINC000132918306 494942716 /nfs/dbraw/zinc/94/27/16/494942716.db2.gz PRHPJCAYKSTCMH-CVEARBPZSA-N 1 0 354.292 3.024 10 0 FGAERO CN(C(=O)c1cc2cc(F)ccc2o1)C1CC[NH+](CCn2cccn2)CC1 ZINC000117798058 494957073 /nfs/dbraw/zinc/95/70/73/494957073.db2.gz BQLKKZLTZBGDRM-UHFFFAOYSA-N 1 0 370.428 3.005 10 0 FGAERO Cc1csc([C@@H]2CCC[N@H+](Cc3cnc(N4CCOCC4)s3)C2)n1 ZINC000127567397 494962992 /nfs/dbraw/zinc/96/29/92/494962992.db2.gz QQQHDLXBMGDYKY-CQSZACIVSA-N 1 0 364.540 3.124 10 0 FGAERO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000122594769 495000621 /nfs/dbraw/zinc/00/06/21/495000621.db2.gz IBZKZKNJEHPALM-SJORKVTESA-N 1 0 369.490 3.385 10 0 FGAERO O=C(N[C@H](Cc1ccccc1)C(F)(F)F)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000122598779 495001490 /nfs/dbraw/zinc/00/14/90/495001490.db2.gz YLOIIUDAADJJNK-DLBZAZTESA-N 1 0 369.431 3.287 10 0 FGAERO CCn1cnnc1[C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](CC)CC)C1 ZINC000110751343 495006196 /nfs/dbraw/zinc/00/61/96/495006196.db2.gz GNNKSUCMQFSNMQ-RBUKOAKNSA-N 1 0 369.513 3.087 10 0 FGAERO COc1ccc(C[N@@H+]2CCC[C@H]2c2c(C)nn(C)c2C)c(OC)c1OC ZINC000122749967 495025263 /nfs/dbraw/zinc/02/52/63/495025263.db2.gz CSGSSHYAUPUELO-INIZCTEOSA-N 1 0 359.470 3.400 10 0 FGAERO COc1ccccc1-c1cccc(NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)c1 ZINC000118823008 495043064 /nfs/dbraw/zinc/04/30/64/495043064.db2.gz XLFPOPRBYXPPFF-SFHVURJKSA-N 1 0 369.465 3.157 10 0 FGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1cccc(OCC(F)(F)F)c1 ZINC000122953042 495058990 /nfs/dbraw/zinc/05/89/90/495058990.db2.gz LHWUZDDVFNJOLJ-JKSUJKDBSA-N 1 0 370.415 3.255 10 0 FGAERO C[C@@H](O)C1CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)CC1 ZINC000111288797 495059210 /nfs/dbraw/zinc/05/92/10/495059210.db2.gz KQKTWNMHFJWTLB-YESZJQIVSA-N 1 0 354.494 3.498 10 0 FGAERO C[C@@H](O)C1CC[NH+]([C@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)CC1 ZINC000111288793 495059944 /nfs/dbraw/zinc/05/99/44/495059944.db2.gz KQKTWNMHFJWTLB-GVDBMIGSSA-N 1 0 354.494 3.498 10 0 FGAERO Cc1ccc(C[NH2+][C@H]2CCCN(c3cccnn3)C2)c(Br)c1 ZINC000119116933 495096762 /nfs/dbraw/zinc/09/67/62/495096762.db2.gz WDPXWFPOPUSRTO-HNNXBMFYSA-N 1 0 361.287 3.306 10 0 FGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(Br)c(C)n1 ZINC000128529862 495111467 /nfs/dbraw/zinc/11/14/67/495111467.db2.gz HFTQODROYIYVSV-QWHCGFSZSA-N 1 0 367.291 3.243 10 0 FGAERO CC[N@H+](CCNC(=O)N[C@@H](C)c1ccccc1Br)C1CC1 ZINC000101975130 495112133 /nfs/dbraw/zinc/11/21/33/495112133.db2.gz DGTCDKOBBLGTEB-LBPRGKRZSA-N 1 0 354.292 3.294 10 0 FGAERO CCOc1c(Cl)cc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)cc1OC ZINC000128544340 495114033 /nfs/dbraw/zinc/11/40/33/495114033.db2.gz JVIGNOOORLYXME-CQSZACIVSA-N 1 0 364.877 3.251 10 0 FGAERO C[C@H](NC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1)[C@H]1CCCO1 ZINC000102782443 495161202 /nfs/dbraw/zinc/16/12/02/495161202.db2.gz NNIGZCDPWIMVPO-FXAWDEMLSA-N 1 0 359.514 3.285 10 0 FGAERO COc1cccc(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)c1OC(F)F ZINC000119556864 495190112 /nfs/dbraw/zinc/19/01/12/495190112.db2.gz BLZQUKVLOYYCNX-CYBMUJFWSA-N 1 0 356.413 3.147 10 0 FGAERO Cc1ncc(CNC(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)s1 ZINC000129246777 495217259 /nfs/dbraw/zinc/21/72/59/495217259.db2.gz KTCOHQSBFJPSFD-QGZVFWFLSA-N 1 0 358.511 3.305 10 0 FGAERO CC(C)OC(=O)N1CCC(Nc2cc(N3CCC[C@H](C)C3)ncn2)CC1 ZINC000112695756 495224249 /nfs/dbraw/zinc/22/42/49/495224249.db2.gz XXBHHZSIWCMQOH-HNNXBMFYSA-N 1 0 361.490 3.134 10 0 FGAERO CC(C)c1nn(C)c(N2CCOCC2)c1C[NH2+]C/C=C/c1ccccc1 ZINC000112710422 495227284 /nfs/dbraw/zinc/22/72/84/495227284.db2.gz WRXGUGCXPWTZRF-JXMROGBWSA-N 1 0 354.498 3.183 10 0 FGAERO O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000119744363 495231652 /nfs/dbraw/zinc/23/16/52/495231652.db2.gz JLKDIUSQOXVQEF-KCZVDYSFSA-N 1 0 356.510 3.052 10 0 FGAERO Cc1ccc(N2CCC[N@@H+](Cc3ccc(C(=O)OC(C)C)cc3)CC2)nn1 ZINC000135047392 495244132 /nfs/dbraw/zinc/24/41/32/495244132.db2.gz XEBCHZPBPFZEJJ-UHFFFAOYSA-N 1 0 368.481 3.063 10 0 FGAERO O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000119853869 495255392 /nfs/dbraw/zinc/25/53/92/495255392.db2.gz HJEMBQQPWQWXLJ-UWJYYQICSA-N 1 0 363.546 3.120 10 0 FGAERO C[NH+](C)[C@H]1CCN(C(=O)Nc2nnc(-c3cccc(Cl)c3)s2)C1 ZINC000129517191 495256468 /nfs/dbraw/zinc/25/64/68/495256468.db2.gz CJJWGHRKYJRVCI-LBPRGKRZSA-N 1 0 351.863 3.026 10 0 FGAERO Cc1nccn1-c1ccc([C@H](C)NC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1 ZINC000124372796 495277410 /nfs/dbraw/zinc/27/74/10/495277410.db2.gz PDLOXAKQKQVMFJ-TWOQFEAHSA-N 1 0 369.513 3.270 10 0 FGAERO CC[NH+](CC)[C@H](C(=O)N1CCC(c2ccnn2C)CC1)c1ccccc1 ZINC000124386856 495279260 /nfs/dbraw/zinc/27/92/60/495279260.db2.gz KAYKHXAYQOBTJA-FQEVSTJZSA-N 1 0 354.498 3.209 10 0 FGAERO C[C@@H]([NH2+]C1CCN(C(=O)N(C)C)CC1)c1ccccc1Br ZINC000135358739 495281871 /nfs/dbraw/zinc/28/18/71/495281871.db2.gz VKHVERVUUZRHKY-GFCCVEGCSA-N 1 0 354.292 3.246 10 0 FGAERO Cc1nc(CCC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)oc1-c1ccccc1 ZINC000113225655 495286285 /nfs/dbraw/zinc/28/62/85/495286285.db2.gz RAIAMDAGYJOLNT-YJBOKZPZSA-N 1 0 353.466 3.278 10 0 FGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000113603936 495320019 /nfs/dbraw/zinc/32/00/19/495320019.db2.gz QSAUHPQMVWMPFG-GSEOLPGOSA-N 1 0 357.498 3.032 10 0 FGAERO O=C(Nc1ccccc1C(=O)N1CCCCC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000104980988 495321852 /nfs/dbraw/zinc/32/18/52/495321852.db2.gz VORLGCCVYHZOHQ-KRWDZBQOSA-N 1 0 370.497 3.015 10 0 FGAERO COCCOc1c(Cl)cccc1NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000105022766 495327345 /nfs/dbraw/zinc/32/73/45/495327345.db2.gz AITVGQLSTBNWSP-AWEZNQCLSA-N 1 0 367.877 3.067 10 0 FGAERO CCSc1ccc(Cl)cc1NC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000105048809 495331224 /nfs/dbraw/zinc/33/12/24/495331224.db2.gz CIFIEXURJIVRTM-CQSZACIVSA-N 1 0 371.934 3.420 10 0 FGAERO C[C@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)C(=O)NC(=O)Nc1ccccc1F ZINC000124714160 495331939 /nfs/dbraw/zinc/33/19/39/495331939.db2.gz FEKGTBSIIVNANI-QWRGUYRKSA-N 1 0 365.355 3.491 10 0 FGAERO C[NH+](C)[C@H]1CCN(C(=O)c2cc(Br)cc(C(F)(F)F)c2)C1 ZINC000130049291 495333168 /nfs/dbraw/zinc/33/31/68/495333168.db2.gz QFPIJCDSDBTZEG-LBPRGKRZSA-N 1 0 365.193 3.244 10 0 FGAERO C[C@H](NC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)c1cccc(Cl)c1 ZINC000105080604 495334071 /nfs/dbraw/zinc/33/40/71/495334071.db2.gz XYQXWGBAWHRGFU-HNNXBMFYSA-N 1 0 366.937 3.068 10 0 FGAERO C[C@@H](NC(=O)NC[C@H](C)[N@H+](C)C1CC1)c1ccccc1Br ZINC000105081945 495334410 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C[C@@H](CC(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1)C1CCCCC1 ZINC000114414046 495370201 /nfs/dbraw/zinc/37/02/01/495370201.db2.gz ZLLFVLJLYWPYBS-SFHVURJKSA-N 1 0 372.557 3.398 10 0 FGAERO C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000106079530 495410701 /nfs/dbraw/zinc/41/07/01/495410701.db2.gz WYVDBSWZYMWTOG-RHSMWYFYSA-N 1 0 373.888 3.058 10 0 FGAERO CN(c1cccnn1)C1CC[NH+](Cc2ccccc2Br)CC1 ZINC000106085345 495411883 /nfs/dbraw/zinc/41/18/83/495411883.db2.gz FDFPZWODZZUCEP-UHFFFAOYSA-N 1 0 361.287 3.340 10 0 FGAERO CC[C@@H]1CN(CCCOc2ccc3ccccc3c2)CC[N@@H+]1C[C@@H](C)O ZINC000106101358 495414596 /nfs/dbraw/zinc/41/45/96/495414596.db2.gz CYYQMWGQBHFPOW-WIYYLYMNSA-N 1 0 356.510 3.386 10 0 FGAERO CC[C@@H]1CN([C@@H](C)C(=O)Nc2cc(Cl)ccc2C)CC[N@@H+]1CCOC ZINC000106115058 495415734 /nfs/dbraw/zinc/41/57/34/495415734.db2.gz XLHVPTUNSSHJPP-DOTOQJQBSA-N 1 0 367.921 3.018 10 0 FGAERO CC[C@H]1CN(CCOc2ccc(Cl)cc2Cl)CC[N@@H+]1CCOC ZINC000106116040 495416124 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CCn1nc(C)c([C@@H](C)[NH2+]C[C@@H]2CN(Cc3ccccc3)CCO2)c1C ZINC000158721740 495575795 /nfs/dbraw/zinc/57/57/95/495575795.db2.gz DJRHZKUKJSPIAW-OXQOHEQNSA-N 1 0 356.514 3.071 10 0 FGAERO CO[C@H](CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C)c1cccc(Cl)c1 ZINC000173533171 495577282 /nfs/dbraw/zinc/57/72/82/495577282.db2.gz FTKJSGUNUPHFDB-RBUKOAKNSA-N 1 0 360.885 3.317 10 0 FGAERO CC[NH+](CC)[C@@H](CNC(=O)N1CCCC[C@H]1c1cn[nH]c1)c1ccco1 ZINC000182498547 495587529 /nfs/dbraw/zinc/58/75/29/495587529.db2.gz SSKIRDJZMJNSSQ-IRXDYDNUSA-N 1 0 359.474 3.322 10 0 FGAERO C[NH+](C)C[C@@H](NC(=O)c1ccc(-c2cncnc2)cc1F)c1ccccc1 ZINC000185495438 495599101 /nfs/dbraw/zinc/59/91/01/495599101.db2.gz LPZHIZHEKGYYOC-HXUWFJFHSA-N 1 0 364.424 3.315 10 0 FGAERO Cc1cc(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)n(-c2ccccc2C(F)(F)F)n1 ZINC000150703221 495610877 /nfs/dbraw/zinc/61/08/77/495610877.db2.gz XJCYEDXRYIROKS-NEPJUHHUSA-N 1 0 352.360 3.265 10 0 FGAERO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000185549891 495616678 /nfs/dbraw/zinc/61/66/78/495616678.db2.gz RKENNFZACUJZLU-ROUUACIJSA-N 1 0 374.573 3.370 10 0 FGAERO C[NH+](C)[C@@H]1CCN(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000170836951 495620800 /nfs/dbraw/zinc/62/08/00/495620800.db2.gz KYJNWCOYVFYRSQ-OAHLLOKOSA-N 1 0 355.404 3.083 10 0 FGAERO COc1cc(CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)ccc1OCc1ccccc1 ZINC000150749558 495621005 /nfs/dbraw/zinc/62/10/05/495621005.db2.gz NGFCPWUZMDDLLN-RTBURBONSA-N 1 0 368.477 3.408 10 0 FGAERO Cc1ccc([C@@H](C)NCC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)o1 ZINC000182575528 495622597 /nfs/dbraw/zinc/62/25/97/495622597.db2.gz PCYLQDCLRLHEQF-MRXNPFEDSA-N 1 0 373.522 3.426 10 0 FGAERO CC[NH+]1CCN(c2ccc(C(=O)N3CCC[C@@H]3c3ccco3)cc2)CC1 ZINC000173634573 495624115 /nfs/dbraw/zinc/62/41/15/495624115.db2.gz QVBZSCGRLXMWHN-LJQANCHMSA-N 1 0 353.466 3.399 10 0 FGAERO C[N@@H+](Cc1ccc2c[nH]nc2c1)C[C@@H](c1cccs1)N1CCOCC1 ZINC000179527557 495628931 /nfs/dbraw/zinc/62/89/31/495628931.db2.gz PKPILUUKFKAAQB-SFHVURJKSA-N 1 0 356.495 3.130 10 0 FGAERO CCCOc1c(Cl)cc(C(=O)N2CC[C@H]([NH+](C)C)C2)cc1OCC ZINC000170860799 495630146 /nfs/dbraw/zinc/63/01/46/495630146.db2.gz UISGLENJBPNECD-AWEZNQCLSA-N 1 0 354.878 3.304 10 0 FGAERO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170858786 495630850 /nfs/dbraw/zinc/63/08/50/495630850.db2.gz TXCLDBUKPOVEDO-LLVKDONJSA-N 1 0 351.809 3.219 10 0 FGAERO CC[C@H]1CN(C(=O)Nc2ccc(CC(F)(F)F)cc2)CC[N@@H+]1CCOC ZINC000173661384 495638498 /nfs/dbraw/zinc/63/84/98/495638498.db2.gz ZFYYOQAWVZTBPE-INIZCTEOSA-N 1 0 373.419 3.366 10 0 FGAERO CCc1ccc([C@@H](C)CC(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000176437665 495650723 /nfs/dbraw/zinc/65/07/23/495650723.db2.gz AZEMHDDZFNFNLE-ROUUACIJSA-N 1 0 360.542 3.294 10 0 FGAERO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)N[C@H]1COc2ccccc21 ZINC000176465141 495658990 /nfs/dbraw/zinc/65/89/90/495658990.db2.gz YRHDHUSZQSOTLX-HNNXBMFYSA-N 1 0 373.419 3.426 10 0 FGAERO O=C(c1ccn(-c2ccc(Cl)c(Cl)c2)n1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000170946094 495663622 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3.067 10 0 FGAERO C[NH+](C)C[C@H](NC(=O)Nc1cccc(Br)n1)c1ccccc1 ZINC000188558212 712771927 /nfs/dbraw/zinc/77/19/27/712771927.db2.gz ZFLPGXNKSUHHLD-ZDUSSCGKSA-N 1 0 363.259 3.269 10 0 FGAERO C[NH+](C)C[C@@H](NC(=O)Nc1cccc(Br)n1)c1ccccc1 ZINC000188558235 712772087 /nfs/dbraw/zinc/77/20/87/712772087.db2.gz ZFLPGXNKSUHHLD-CYBMUJFWSA-N 1 0 363.259 3.269 10 0 FGAERO CC[C@@H]([NH2+]CCCn1ccnc1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000188645327 712773980 /nfs/dbraw/zinc/77/39/80/712773980.db2.gz YIAGXMVYPKOETE-IAGOWNOFSA-N 1 0 350.507 3.431 10 0 FGAERO CC[N@H+](CC(=O)OC(C)(C)C)C1CCN(c2ccnc(Cl)c2)CC1 ZINC000192240695 712855032 /nfs/dbraw/zinc/85/50/32/712855032.db2.gz PWRLWVLHOJIIHE-UHFFFAOYSA-N 1 0 353.894 3.367 10 0 FGAERO COC(=O)C1CCC([NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)[C@H]2C)CC1 ZINC000192448265 712862812 /nfs/dbraw/zinc/86/28/12/712862812.db2.gz SCAMWQUJKYBJOC-LBDPXKHJSA-N 1 0 354.491 3.096 10 0 FGAERO Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000193490971 712893022 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Cc1ccc([C@H](NC(=O)C[NH2+][C@@H](C)[C@H]2CCCO2)c2cccs2)cc1 ZINC000248584872 713654137 /nfs/dbraw/zinc/65/41/37/713654137.db2.gz JLDPCGFVPUXXER-VPWXQRGCSA-N 1 0 358.507 3.419 10 0 FGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(Br)ncc1Cl ZINC000251904352 713672609 /nfs/dbraw/zinc/67/26/09/713672609.db2.gz SWVZJDSIMVJJFT-QWRGUYRKSA-N 1 0 372.694 3.196 10 0 FGAERO C/C(=C/C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C)c1ccccc1OC(F)F ZINC000255226543 713688042 /nfs/dbraw/zinc/68/80/42/713688042.db2.gz RSEJHXGZXPLFFO-GHRAKNKNSA-N 1 0 350.409 3.386 10 0 FGAERO C[C@H](OCc1ccccc1)C(=O)N1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000261615481 713711778 /nfs/dbraw/zinc/71/17/78/713711778.db2.gz BQGDMWTWXMPPQL-HNAYVOBHSA-N 1 0 358.869 3.418 10 0 FGAERO Cc1c(Br)cc(C[NH2+][C@@H](C)[C@H](C)O)cc1Br ZINC000309893907 713797108 /nfs/dbraw/zinc/79/71/08/713797108.db2.gz DYXBGCVCURTESM-IUCAKERBSA-N 1 0 351.082 3.379 10 0 FGAERO COc1ncc([C@H](C)[NH2+]C[C@@H]2CCCO[C@H]2c2cn[nH]c2)cc1Cl ZINC000624242525 715498847 /nfs/dbraw/zinc/49/88/47/715498847.db2.gz PYQCDOKDGMRNEX-MQIPJXDCSA-N 1 0 350.850 3.285 10 0 FGAERO COc1ncc([C@@H](C)[NH2+]C[C@@H]2CCCO[C@H]2c2cn[nH]c2)cc1Cl ZINC000624242524 715499088 /nfs/dbraw/zinc/49/90/88/715499088.db2.gz PYQCDOKDGMRNEX-BFQNTYOBSA-N 1 0 350.850 3.285 10 0 FGAERO CC(C)(C)OC(=O)N1C[C@@H](C[NH2+]C2CCC3(CCCC3)CC2)[C@H](O)C1 ZINC000702767836 722410836 /nfs/dbraw/zinc/41/08/36/722410836.db2.gz ZKZISNSQXXVXPB-NVXWUHKLSA-N 1 0 352.519 3.307 10 0 FGAERO CC(C)(C)OC(=O)NC1CC(C[NH2+]Cc2ccc(Br)o2)C1 ZINC000711506323 722414166 /nfs/dbraw/zinc/41/41/66/722414166.db2.gz QCWOEFMCYSDGFT-UHFFFAOYSA-N 1 0 359.264 3.435 10 0 FGAERO [NH3+]C[C@H]1CN(c2ncc(Cl)cc2Br)C[C@@H]1C(F)(F)F ZINC000720793529 722419423 /nfs/dbraw/zinc/41/94/23/722419423.db2.gz JYSCBFAUGXKUFJ-XPUUQOCRSA-N 1 0 358.589 3.071 10 0 FGAERO CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H]([NH2+]Cc1ccc(C)o1)C2 ZINC000014740367 220131034 /nfs/dbraw/zinc/13/10/34/220131034.db2.gz ACOMJXZQYPLRBZ-MRXNPFEDSA-N 1 0 370.497 3.078 10 0 FGAERO Brc1ccc(N(CC2CC2)C2=[NH+]CCN2)cc1Br ZINC000028229811 220565604 /nfs/dbraw/zinc/56/56/04/220565604.db2.gz SNPLUWGAYQWLAV-UHFFFAOYSA-N 1 0 373.092 3.387 10 0 FGAERO [NH3+]CCCCCC(=O)NCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000035730285 220794664 /nfs/dbraw/zinc/79/46/64/220794664.db2.gz ADOXTBVGMIBPNU-UHFFFAOYSA-N 1 0 355.438 3.053 10 0 FGAERO CCOC(=O)C[C@H](C)C[C@H]([NH3+])c1ccc(I)cc1 ZINC000061829888 221135334 /nfs/dbraw/zinc/13/53/34/221135334.db2.gz FUIXKGSZDOWXEX-MFKMUULPSA-N 1 0 361.223 3.270 10 0 FGAERO O=C(NCC[NH+]1CCCCC1)c1nc2ccccn2c1-c1ccsc1 ZINC000065232182 221183526 /nfs/dbraw/zinc/18/35/26/221183526.db2.gz KSMHGLWGTTVSIB-UHFFFAOYSA-N 1 0 354.479 3.279 10 0 FGAERO Oc1cc(-c2ccc(Cl)cn2)cc2c1OCC[N@H+](C[C@H]1CCOC1)C2 ZINC000067919793 221303646 /nfs/dbraw/zinc/30/36/46/221303646.db2.gz MWJSXXUTLPPWTQ-CYBMUJFWSA-N 1 0 360.841 3.339 10 0 FGAERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)Nc2ccc(F)c(F)c2)C1 ZINC000190443511 257368453 /nfs/dbraw/zinc/36/84/53/257368453.db2.gz KPQCCYSTZKPWOD-OAHLLOKOSA-N 1 0 360.408 3.346 10 0 FGAERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)Nc2c(F)cccc2F)C1 ZINC000190443386 257368596 /nfs/dbraw/zinc/36/85/96/257368596.db2.gz OGCWRDPNHCZNMK-HNNXBMFYSA-N 1 0 360.408 3.346 10 0 FGAERO CCOc1ccc(C(=O)N2CC[C@@H](C[N@H+](C)Cc3scnc3C)C2)cc1 ZINC000190544080 257368853 /nfs/dbraw/zinc/36/88/53/257368853.db2.gz WUBOPEVJZASMOP-INIZCTEOSA-N 1 0 373.522 3.444 10 0 FGAERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)Cc2ccc3c(c2)CCC3)C1 ZINC000190584363 257369254 /nfs/dbraw/zinc/36/92/54/257369254.db2.gz DIVNALHSZQBFAP-FQEVSTJZSA-N 1 0 363.505 3.093 10 0 FGAERO CS[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1)c1ccccc1 ZINC000190580639 257369482 /nfs/dbraw/zinc/36/94/82/257369482.db2.gz SRIKCINUYBQZCE-AZUAARDMSA-N 1 0 369.534 3.466 10 0 FGAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@H](c2ccccc2)C(C)(C)CO)C12CCOCC2 ZINC000249013988 257371126 /nfs/dbraw/zinc/37/11/26/257371126.db2.gz PGMRWGJKQPDWCZ-VAMGGRTRSA-N 1 0 361.526 3.353 10 0 FGAERO CC(=O)N[C@]1(c2nc(C)cs2)CC[N@@H+](Cc2ccc([C@H]3C[C@@H]3C)o2)C1 ZINC000579548510 505573178 /nfs/dbraw/zinc/57/31/78/505573178.db2.gz NNBYWLLPVNXVHQ-XGINMYPSSA-N 1 0 359.495 3.405 10 0 FGAERO COc1ccc(C(=O)CN2CC[n+]3cc(-c4ccccc4)sc32)cc1 ZINC000002568790 493811183 /nfs/dbraw/zinc/81/11/83/493811183.db2.gz NWXLHROHHQYSAN-UHFFFAOYSA-N 1 0 351.451 3.414 10 0 FGAERO Cc1cc(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)c2cnn(C(C)C)c2n1 ZINC000029953885 493869309 /nfs/dbraw/zinc/86/93/09/493869309.db2.gz GGBPTBLTWIQKQM-LJQANCHMSA-N 1 0 365.481 3.353 10 0 FGAERO CCOCCOc1c(Cl)cccc1NC(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000068867761 493886814 /nfs/dbraw/zinc/88/68/14/493886814.db2.gz MIRURRFSJUCMDB-CQSZACIVSA-N 1 0 369.893 3.361 10 0 FGAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000076513599 493912168 /nfs/dbraw/zinc/91/21/68/493912168.db2.gz RHASSMOBBHNUNW-TZIWHRDSSA-N 1 0 354.469 3.390 10 0 FGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000051684759 493982135 /nfs/dbraw/zinc/98/21/35/493982135.db2.gz WNQCCNPKILEEDV-LPHOPBHVSA-N 1 0 365.493 3.247 10 0 FGAERO CC(C)c1ccc([C@H]2C[C@H]2C(=O)N(C)CCCN2CC[NH+](C)CC2)cc1 ZINC000076998275 494006887 /nfs/dbraw/zinc/00/68/87/494006887.db2.gz VZSGHIAIQWLVOA-NHCUHLMSSA-N 1 0 357.542 3.009 10 0 FGAERO Cc1nc(-c2c[nH]c(C(=O)N[C@@H](C[NH+](C)C)c3ccccc3)c2)cs1 ZINC000052556545 494039668 /nfs/dbraw/zinc/03/96/68/494039668.db2.gz PCJUPDYHBSUYSX-KRWDZBQOSA-N 1 0 354.479 3.479 10 0 FGAERO C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCO2)C(=O)Nc1cc(F)ccc1F ZINC000052658471 494050871 /nfs/dbraw/zinc/05/08/71/494050871.db2.gz AOIJPQBALWPJOF-RYUDHWBXSA-N 1 0 362.376 3.414 10 0 FGAERO C[C@H]1CCC[N@H+](CC2CCN(S(=O)(=O)CCc3ccccc3)CC2)C1 ZINC000033312371 494058348 /nfs/dbraw/zinc/05/83/48/494058348.db2.gz WQTOCDFAGCCSNO-SFHVURJKSA-N 1 0 364.555 3.003 10 0 FGAERO CCC[N@@H+](Cc1cccc(OC)c1OC)C[C@H](O)COc1ccccc1 ZINC000036097211 494086302 /nfs/dbraw/zinc/08/63/02/494086302.db2.gz GEJCDMOIOLUQLH-SFHVURJKSA-N 1 0 359.466 3.356 10 0 FGAERO COCCC[N@@H+](Cc1cccc(C)c1)C[C@H](O)COCc1ccccc1 ZINC000036100486 494086372 /nfs/dbraw/zinc/08/63/72/494086372.db2.gz KNOWEKOQRCPWFU-QFIPXVFZSA-N 1 0 357.494 3.411 10 0 FGAERO CC[C@@H](C)[N@@H+](Cc1cc(OC)cc(OC)c1)C[C@H](O)COCC(C)C ZINC000036095090 494086657 /nfs/dbraw/zinc/08/66/57/494086657.db2.gz FMIJMUJXWRUYHF-AEFFLSMTSA-N 1 0 353.503 3.338 10 0 FGAERO COc1ccc(C[N@@H+](Cc2ccco2)C[C@@H](O)COCc2ccco2)cc1 ZINC000036102109 494087121 /nfs/dbraw/zinc/08/71/21/494087121.db2.gz VXSWSOLMEXWNRT-GOSISDBHSA-N 1 0 371.433 3.461 10 0 FGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N(CCCO)[C@H]1CCc2ccccc21 ZINC000085392043 494120007 /nfs/dbraw/zinc/12/00/07/494120007.db2.gz QKFLRTBPZLAJQF-QUCCMNQESA-N 1 0 361.530 3.044 10 0 FGAERO O=C(Nc1ccccc1)c1ccnc(N2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000065256012 494183285 /nfs/dbraw/zinc/18/32/85/494183285.db2.gz RQEDRGPJLFHUQA-HXUWFJFHSA-N 1 0 358.445 3.485 10 0 FGAERO COc1cc(NC(=O)CC[N@@H+]2CCS[C@@H](C)C2)c(OC)cc1Cl ZINC000072608015 494215236 /nfs/dbraw/zinc/21/52/36/494215236.db2.gz XGUQIWGLYJOSSP-NSHDSACASA-N 1 0 358.891 3.123 10 0 FGAERO Cc1ccccc1[C@H](C)NC(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000042798603 494245008 /nfs/dbraw/zinc/24/50/08/494245008.db2.gz YGSKOESEBKSFAQ-KRWDZBQOSA-N 1 0 355.482 3.496 10 0 FGAERO C[C@@H](NC(=O)NCCC[NH2+]C1CCCCC1)c1ccc2c(c1)OCCO2 ZINC000043036238 494259090 /nfs/dbraw/zinc/25/90/90/494259090.db2.gz RWAAOPKVSNIGHT-OAHLLOKOSA-N 1 0 361.486 3.130 10 0 FGAERO CCc1ccc(Cl)c(CC)c1NC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000043388594 494293279 /nfs/dbraw/zinc/29/32/79/494293279.db2.gz SGMYRWQNLLFIIR-OAHLLOKOSA-N 1 0 367.921 3.433 10 0 FGAERO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2C[C@H](O)COCc2ccccc2)c1 ZINC000078777775 494359602 /nfs/dbraw/zinc/35/96/02/494359602.db2.gz MDTWNKVKOISBTK-RXVVDRJESA-N 1 0 371.477 3.418 10 0 FGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CC[C@H](COCc2ccccc2)C1 ZINC000073722196 494417648 /nfs/dbraw/zinc/41/76/48/494417648.db2.gz BPKLMYXKSVBZMC-PMACEKPBSA-N 1 0 361.530 3.211 10 0 FGAERO COc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N2CCc3sccc3C2)cc1OC ZINC000079306546 494433940 /nfs/dbraw/zinc/43/39/40/494433940.db2.gz SCITYRXNNDGTTH-UONOGXRCSA-N 1 0 374.506 3.389 10 0 FGAERO Cc1ccccc1[C@H](C)NC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000056422195 494503393 /nfs/dbraw/zinc/50/33/93/494503393.db2.gz IHXDYUFHWUZOFD-KRWDZBQOSA-N 1 0 352.482 3.415 10 0 FGAERO CC[NH+]1CCC(CCNC(=O)N[C@@H](C)c2cccc(-n3ccnc3)c2)CC1 ZINC000074714431 494581401 /nfs/dbraw/zinc/58/14/01/494581401.db2.gz MQWPCUQOLOPLQK-KRWDZBQOSA-N 1 0 369.513 3.355 10 0 FGAERO CC[NH+](CC)[C@@H](C(=O)N1CCC(Cn2cccn2)CC1)c1ccccc1 ZINC000126049706 494618718 /nfs/dbraw/zinc/61/87/18/494618718.db2.gz DTQMDIHDSKMSKJ-HXUWFJFHSA-N 1 0 354.498 3.205 10 0 FGAERO COc1ccc(Br)cc1C[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116318341 494759723 /nfs/dbraw/zinc/75/97/23/494759723.db2.gz UKVSLMWPGZGYFC-LBPRGKRZSA-N 1 0 350.260 3.181 10 0 FGAERO Cc1cccc(NC[C@H]2CC[N@@H+](Cc3cn(C)nc3-c3ccncc3)C2)n1 ZINC000092813356 494762202 /nfs/dbraw/zinc/76/22/02/494762202.db2.gz BOIDPDLELFMZKH-QGZVFWFLSA-N 1 0 362.481 3.120 10 0 FGAERO COCCOc1ccc(NC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)c(C)c1 ZINC000047761375 494771486 /nfs/dbraw/zinc/77/14/86/494771486.db2.gz DJUJNVZRJUEASZ-FQEVSTJZSA-N 1 0 371.481 3.445 10 0 FGAERO CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@H](c2cnn(C)c2)C1)c1ccccc1 ZINC000116414683 494779475 /nfs/dbraw/zinc/77/94/75/494779475.db2.gz XLFVZDYSLHPPMN-ICSRJNTNSA-N 1 0 369.513 3.002 10 0 FGAERO O=C(NC1CC[NH+](Cc2ccccn2)CC1)N1CCC[C@H]1c1ccco1 ZINC000116419843 494780810 /nfs/dbraw/zinc/78/08/10/494780810.db2.gz URXMLLIFIOQOSC-SFHVURJKSA-N 1 0 354.454 3.186 10 0 FGAERO CCc1nc(C)c([C@H](C)N(C)C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)s1 ZINC000132130058 494825052 /nfs/dbraw/zinc/82/50/52/494825052.db2.gz ALOHLDNFCMOSKW-AEGPPILISA-N 1 0 352.548 3.445 10 0 FGAERO COc1cc(C[N@@H+]2CCCN(c3ccc(C)nn3)CC2)ccc1OC(C)C ZINC000093151322 494836365 /nfs/dbraw/zinc/83/63/65/494836365.db2.gz GARSXLTZWSTZBH-UHFFFAOYSA-N 1 0 370.497 3.293 10 0 FGAERO Cc1ccc(-c2ccc(C(=O)N3CCO[C@H](C[NH+](C)C)C3)c(F)c2)cc1 ZINC000116785273 494852978 /nfs/dbraw/zinc/85/29/78/494852978.db2.gz GMDKSRODDNNYGL-GOSISDBHSA-N 1 0 356.441 3.204 10 0 FGAERO C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(OCC3CCCCC3)cc2)CCO1 ZINC000116783023 494853190 /nfs/dbraw/zinc/85/31/90/494853190.db2.gz LDYFXIZECCSXGO-HXUWFJFHSA-N 1 0 360.498 3.048 10 0 FGAERO C[NH+](C)C[C@@H]1CN(C(=O)CCCSc2ccc(Cl)cc2)CCO1 ZINC000116795887 494854519 /nfs/dbraw/zinc/85/45/19/494854519.db2.gz LIVVCCIPDOZQJF-OAHLLOKOSA-N 1 0 356.919 3.001 10 0 FGAERO O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000109304562 494857450 /nfs/dbraw/zinc/85/74/50/494857450.db2.gz XODFJAMMDBZIDJ-LJQANCHMSA-N 1 0 366.461 3.242 10 0 FGAERO Cn1cc([C@@H]2CC[N@H+](CCOc3ccccc3Br)C2)cn1 ZINC000126899081 494858202 /nfs/dbraw/zinc/85/82/02/494858202.db2.gz ARSYMJXOQBXMSW-CYBMUJFWSA-N 1 0 350.260 3.051 10 0 FGAERO CN(C(=O)Nc1cccc(Cl)c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000109352756 494862712 /nfs/dbraw/zinc/86/27/12/494862712.db2.gz RRMLLJHZRWLDSK-UHFFFAOYSA-N 1 0 361.877 3.165 10 0 FGAERO COC(=O)c1ccccc1-c1ccc(C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)o1 ZINC000132378780 494864444 /nfs/dbraw/zinc/86/44/44/494864444.db2.gz OMZJSNWTOITYSH-HNNXBMFYSA-N 1 0 365.433 3.456 10 0 FGAERO Cc1cc(C)cc(NC(=O)N(C)C2CC[NH+](CCn3cccn3)CC2)c1 ZINC000109380256 494865702 /nfs/dbraw/zinc/86/57/02/494865702.db2.gz QDPYWJCYEFJLKA-UHFFFAOYSA-N 1 0 355.486 3.128 10 0 FGAERO Cc1ccc(C)c(NC(=O)N(C)C2CC[NH+](CCn3cccn3)CC2)c1 ZINC000109379938 494865803 /nfs/dbraw/zinc/86/58/03/494865803.db2.gz ZRMQXRMIRKNOQK-UHFFFAOYSA-N 1 0 355.486 3.128 10 0 FGAERO O=C1[C@H]([N@@H+]2CC[C@H](CNc3ccccn3)C2)CCN1c1ccc(Cl)cc1 ZINC000132709492 494912881 /nfs/dbraw/zinc/91/28/81/494912881.db2.gz OUMYKXFZKNAXOS-CRAIPNDOSA-N 1 0 370.884 3.274 10 0 FGAERO Cc1nccn1C[C@@H]1CCCN1C(=O)c1cc(-c2ccc(F)cc2)on1 ZINC000122092073 494922132 /nfs/dbraw/zinc/92/21/32/494922132.db2.gz MRTCTMKYUJFQDL-INIZCTEOSA-N 1 0 354.385 3.290 10 0 FGAERO CS[C@H](C)CC(=O)N(C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000127459059 494947818 /nfs/dbraw/zinc/94/78/18/494947818.db2.gz RDOGRXJOUNWEEL-VQIMIIECSA-N 1 0 364.555 3.032 10 0 FGAERO C[C@@H](NC(=O)N1CCO[C@H](C[NH+](C)C)C1)c1cccc(Cl)c1Cl ZINC000118090776 494977199 /nfs/dbraw/zinc/97/71/99/494977199.db2.gz RLGOKQLCMJPPNO-VXGBXAGGSA-N 1 0 360.285 3.026 10 0 FGAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1F)CC2 ZINC000127872892 495010887 /nfs/dbraw/zinc/01/08/87/495010887.db2.gz FMRDBTRNWRVFFD-JQWIXIFHSA-N 1 0 367.266 3.408 10 0 FGAERO C[C@@H](O)C1CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000111287842 495059413 /nfs/dbraw/zinc/05/94/13/495059413.db2.gz WFEZWPRFDNIJPG-YESZJQIVSA-N 1 0 358.526 3.224 10 0 FGAERO Cc1cc(C[C@@H](C)NC(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)[nH]n1 ZINC000119086024 495089309 /nfs/dbraw/zinc/08/93/09/495089309.db2.gz UCEUQZMVKFQSPN-UZLBHIALSA-N 1 0 369.513 3.003 10 0 FGAERO O=C(NCCc1cscn1)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000119086580 495089403 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CCOCC[N@@H+]1CCN(C(=O)Nc2ccc(OC(F)F)cc2)C[C@@H]1CC ZINC000119748102 495232287 /nfs/dbraw/zinc/23/22/87/495232287.db2.gz KXOMWVFRUJAPKA-HNNXBMFYSA-N 1 0 371.428 3.253 10 0 FGAERO Cc1csc([C@H]2CCC[N@H+](CCc3nc4ccccc4c(=O)[nH]3)C2)n1 ZINC000103472970 495237911 /nfs/dbraw/zinc/23/79/11/495237911.db2.gz KFRGGSKMTOVRPH-AWEZNQCLSA-N 1 0 354.479 3.110 10 0 FGAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC000135269246 495271113 /nfs/dbraw/zinc/27/11/13/495271113.db2.gz IVLVMRDGMWENNH-GFCCVEGCSA-N 1 0 354.376 3.070 10 0 FGAERO CC(C)c1c(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cnn1-c1ccc(F)cc1 ZINC000113222790 495286197 /nfs/dbraw/zinc/28/61/97/495286197.db2.gz WJPUSPODTZTUNB-MAUKXSAKSA-N 1 0 370.472 3.444 10 0 FGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCC(=O)Nc1c(Cl)cccc1Cl ZINC000113271677 495291602 /nfs/dbraw/zinc/29/16/02/495291602.db2.gz HGLDATIHRUAOAI-QWHCGFSZSA-N 1 0 356.297 3.491 10 0 FGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000113267233 495291633 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FGAERO C[C@@H](NC(=O)NCC1CC[NH+](C)CC1)c1ccccc1Br ZINC000105081963 495333999 /nfs/dbraw/zinc/33/39/99/495333999.db2.gz ZVPHEHDMOUAGQL-GFCCVEGCSA-N 1 0 354.292 3.151 10 0 FGAERO CCc1ccc([C@@H]2CCCCN2CC(=O)NC2CC[NH+](C(C)C)CC2)o1 ZINC000124824138 495350069 /nfs/dbraw/zinc/35/00/69/495350069.db2.gz TUFUDDBCVJHUAJ-IBGZPJMESA-N 1 0 361.530 3.358 10 0 FGAERO CC(C)[NH+]1CCC(NC(=O)CN(C)[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000114454275 495375439 /nfs/dbraw/zinc/37/54/39/495375439.db2.gz JAUOHCCSSIFYKT-HNNXBMFYSA-N 1 0 351.922 3.322 10 0 FGAERO CC(C)[NH+]1CCC(NC(=O)CN(C)[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000114454277 495375615 /nfs/dbraw/zinc/37/56/15/495375615.db2.gz JAUOHCCSSIFYKT-OAHLLOKOSA-N 1 0 351.922 3.322 10 0 FGAERO Cc1ccccc1[C@H](C)NC(=O)NCc1ccccc1OCC[NH+](C)C ZINC000120440704 495378951 /nfs/dbraw/zinc/37/89/51/495378951.db2.gz JZECIWQIRVRZQU-KRWDZBQOSA-N 1 0 355.482 3.496 10 0 FGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2cc(F)ccc2Br)C1 ZINC000136421227 495379327 /nfs/dbraw/zinc/37/93/27/495379327.db2.gz CZNXVGQXJKIQBJ-YGRLFVJLSA-N 1 0 358.255 3.438 10 0 FGAERO O[C@H](COc1cccc(C(F)(F)F)c1)C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000114482332 495381865 /nfs/dbraw/zinc/38/18/65/495381865.db2.gz QIXZSUYDLMBQFX-DOTOQJQBSA-N 1 0 369.387 3.395 10 0 FGAERO O=C1c2ccccc2C(=O)N1CCCC[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000114484306 495383717 /nfs/dbraw/zinc/38/37/17/495383717.db2.gz BBXGCLUGWWCNNU-SFHVURJKSA-N 1 0 352.438 3.013 10 0 FGAERO CCC[C@H](C(=O)Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1)[NH+](C)C ZINC000136563010 495387303 /nfs/dbraw/zinc/38/73/03/495387303.db2.gz FQQWWZSQZDVZSM-LJQANCHMSA-N 1 0 371.456 3.425 10 0 FGAERO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)C(=O)NCC(=O)Nc1c(C)cccc1C ZINC000130429265 495390940 /nfs/dbraw/zinc/39/09/40/495390940.db2.gz INTZCMCZVXGSEP-ROUUACIJSA-N 1 0 367.493 3.406 10 0 FGAERO Cc1ccc(-c2nnc([C@H](C)[N@@H+]3CCC[C@H](Cn4cncn4)C3)o2)cc1C ZINC000120508024 495394463 /nfs/dbraw/zinc/39/44/63/495394463.db2.gz IPEBHYYRYFOEJJ-IRXDYDNUSA-N 1 0 366.469 3.418 10 0 FGAERO COc1cc(F)c([C@@H](C)NC(=O)N[C@H](CC(C)C)C[NH+](C)C)cc1OC ZINC000114589146 495396189 /nfs/dbraw/zinc/39/61/89/495396189.db2.gz RZSPTPRPJBBMHI-ZIAGYGMSSA-N 1 0 369.481 3.179 10 0 FGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1c(F)cc(Br)cc1F ZINC000136847697 495405003 /nfs/dbraw/zinc/40/50/03/495405003.db2.gz NFKGWWBLUUZWOC-MWLCHTKSSA-N 1 0 374.229 3.428 10 0 FGAERO Cc1cccc(NC(=O)[C@H](C)[N@H+](C)[C@@H]2CCCN(c3cccnn3)C2)c1C ZINC000106076796 495410395 /nfs/dbraw/zinc/41/03/95/495410395.db2.gz LBQWGZODKQAXJT-ZWKOTPCHSA-N 1 0 367.497 3.021 10 0 FGAERO CCOCC[N@@H+]1CCN([C@@H](C)c2nc(-c3ccccc3)no2)C[C@H]1CC ZINC000114719729 495415169 /nfs/dbraw/zinc/41/51/69/495415169.db2.gz RFQPWNFYBWRTAS-FUHWJXTLSA-N 1 0 358.486 3.230 10 0 FGAERO C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2csc(-c3ccsc3)n2)CC1 ZINC000106124479 495417420 /nfs/dbraw/zinc/41/74/20/495417420.db2.gz WWDUOOOSNJIFGO-CQSZACIVSA-N 1 0 365.568 3.396 10 0 FGAERO Cc1nc(CN2CCC[N@H+](Cc3ccc(-n4cccn4)cc3)CC2)cs1 ZINC000106145911 495419584 /nfs/dbraw/zinc/41/95/84/495419584.db2.gz ZWRIMJVYCNEAQY-UHFFFAOYSA-N 1 0 367.522 3.345 10 0 FGAERO Cn1cc(CN2CCC[N@H+](Cc3ccc(OC(F)(F)F)cc3)CC2)cn1 ZINC000106155175 495420435 /nfs/dbraw/zinc/42/04/35/495420435.db2.gz DZARBSXOPXYVKH-UHFFFAOYSA-N 1 0 368.403 3.027 10 0 FGAERO Cc1nc(C)n(C[C@H]2CCC[N@H+](CCCOCCc3ccccc3)C2)n1 ZINC000106178065 495424794 /nfs/dbraw/zinc/42/47/94/495424794.db2.gz NTLCKKNSINQTAB-NRFANRHFSA-N 1 0 356.514 3.256 10 0 FGAERO CC(C)C[C@@H](NC(=O)C[NH+]1CCC(Cn2cccn2)CC1)c1ccccc1 ZINC000106185099 495426464 /nfs/dbraw/zinc/42/64/64/495426464.db2.gz PSPXXXHQPMONNA-OAQYLSRUSA-N 1 0 368.525 3.499 10 0 FGAERO CCc1nccn1[C@H]1CCC[N@@H+](CC(=O)N(CC)Cc2cccc(F)c2)C1 ZINC000106215856 495434936 /nfs/dbraw/zinc/43/49/36/495434936.db2.gz QONXDFGWUMPWSB-IBGZPJMESA-N 1 0 372.488 3.270 10 0 FGAERO Cc1cnn([C@@H]2CCC[N@@H+](CC(=O)N(C)[C@@H]3CCCc4ccccc43)C2)c1 ZINC000106225516 495438859 /nfs/dbraw/zinc/43/88/59/495438859.db2.gz DKMBJTPLVUGXFF-TZIWHRDSSA-N 1 0 366.509 3.364 10 0 FGAERO CC[C@H]1CN(Cc2cnc(-c3cccs3)s2)CC[N@@H+]1C[C@@H](C)O ZINC000120735782 495446206 /nfs/dbraw/zinc/44/62/06/495446206.db2.gz UHTMQDLFSCRCJR-KGLIPLIRSA-N 1 0 351.541 3.149 10 0 FGAERO CCOc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]2Cn2ccnc2C)cc1 ZINC000137894796 495453089 /nfs/dbraw/zinc/45/30/89/495453089.db2.gz ZIANOZCPMJFMJG-GOSISDBHSA-N 1 0 356.470 3.083 10 0 FGAERO CN(C)[C@@H](Cc1ccccc1)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000106427521 495455245 /nfs/dbraw/zinc/45/52/45/495455245.db2.gz WWKDMHTVVKTMAM-RBUKOAKNSA-N 1 0 371.550 3.174 10 0 FGAERO C[C@@H]1COC[C@@H](C)[NH+]1CCC(=O)Nc1ccc(Br)cc1F ZINC000120808911 495462081 /nfs/dbraw/zinc/46/20/81/495462081.db2.gz HRMQWCXKDWYFSD-GHMZBOCLSA-N 1 0 359.239 3.026 10 0 FGAERO O=C(NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)c1ccc(Cl)o1 ZINC000115157318 495468674 /nfs/dbraw/zinc/46/86/74/495468674.db2.gz YZEZVRWQNLVQLU-MRXNPFEDSA-N 1 0 362.857 3.108 10 0 FGAERO O=C(CCc1ccccc1)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000115158042 495469534 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COc1ccc([C@H](C)NC(=O)[C@H](Cc2ccccc2)[NH+](C)C)cc1OC ZINC000106904894 495509109 /nfs/dbraw/zinc/50/91/09/495509109.db2.gz SVXQOXHJRYKRAF-YJBOKZPZSA-N 1 0 356.466 3.054 10 0 FGAERO CCn1c2ccccc2nc1[C@H](C)NC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000106912250 495511180 /nfs/dbraw/zinc/51/11/80/495511180.db2.gz DQIRUPIOPKNCQM-JXFKEZNVSA-N 1 0 364.493 3.406 10 0 FGAERO O=C1[C@H]([N@@H+]2CC[C@H](CNc3ccccn3)C2)CCCN1c1cccc(F)c1 ZINC000115539660 495514312 /nfs/dbraw/zinc/51/43/12/495514312.db2.gz GTIWSYQDWKXFDV-VQIMIIECSA-N 1 0 368.456 3.150 10 0 FGAERO C[NH+](C)CCNC(=O)c1oc2cnccc2c1Nc1ccc(Cl)c(O)c1 ZINC000143273837 495532174 /nfs/dbraw/zinc/53/21/74/495532174.db2.gz NLYJUIDWMQLDME-UHFFFAOYSA-N 1 0 374.828 3.222 10 0 FGAERO C[NH+](C)[C@H]1CCN(C(=O)NCc2ccc(OCc3ccccc3F)cc2)C1 ZINC000185327637 495533654 /nfs/dbraw/zinc/53/36/54/495533654.db2.gz XDFQWQDBQMOZEE-SFHVURJKSA-N 1 0 371.456 3.250 10 0 FGAERO O=C(Nc1c(F)cc(Br)cc1F)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000173472682 495545815 /nfs/dbraw/zinc/54/58/15/495545815.db2.gz SFPRWMIYWWJONH-NSHDSACASA-N 1 0 374.229 3.429 10 0 FGAERO CSc1ccc(Cl)cc1NC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000145069910 495551333 /nfs/dbraw/zinc/55/13/33/495551333.db2.gz DAWRFEPRFATCPE-CYBMUJFWSA-N 1 0 357.907 3.030 10 0 FGAERO CC(C)c1csc([C@@H]2CCCN(C(=O)NC[C@H]3CCC[N@H+](C)C3)C2)n1 ZINC000173494366 495557201 /nfs/dbraw/zinc/55/72/01/495557201.db2.gz RUBBMVUYPZCOGL-HZPDHXFCSA-N 1 0 364.559 3.497 10 0 FGAERO CN(C(=O)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1)C1CCCCC1 ZINC000173494953 495557305 /nfs/dbraw/zinc/55/73/05/495557305.db2.gz IVZGIFXXKHNCKO-NRFANRHFSA-N 1 0 373.541 3.406 10 0 FGAERO COc1ccc([C@H](O)C[NH2+]Cc2ccccc2Br)cc1OC ZINC000148210537 495582630 /nfs/dbraw/zinc/58/26/30/495582630.db2.gz YVUXRNIUGKNHAP-OAHLLOKOSA-N 1 0 366.255 3.290 10 0 FGAERO C[C@H]([NH2+]C[C@H](O)COc1cccc2[nH]ccc21)c1ccc2c(c1)OCCO2 ZINC000158769850 495584758 /nfs/dbraw/zinc/58/47/58/495584758.db2.gz IZAIHAMITVZCFG-HOCLYGCPSA-N 1 0 368.433 3.030 10 0 FGAERO CC[C@H](C)NC(=O)c1ccc(NC(=O)N(C)C[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000176319875 495597277 /nfs/dbraw/zinc/59/72/77/495597277.db2.gz MNEXFWAPZNZZBL-YJBOKZPZSA-N 1 0 360.502 3.163 10 0 FGAERO CCOC(=O)N(C)c1ccc(NC(=O)N(C)C[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000176323376 495600220 /nfs/dbraw/zinc/60/02/20/495600220.db2.gz HIDRIZNOTDWAJH-KRWDZBQOSA-N 1 0 362.474 3.227 10 0 FGAERO CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000150712312 495611659 /nfs/dbraw/zinc/61/16/59/495611659.db2.gz QMFKXCPWVNFCLO-YPMHNXCESA-N 1 0 372.296 3.298 10 0 FGAERO COc1cc([C@H](C)NC(=O)N2CC[C@@H]([NH+](C)C)C2)ccc1OCC(C)C ZINC000170831213 495619309 /nfs/dbraw/zinc/61/93/09/495619309.db2.gz OIGBWQKFUSKWJC-DOTOQJQBSA-N 1 0 363.502 3.137 10 0 FGAERO C[NH+](C)[C@H]1CCN(C(=O)NCC(C)(C)c2cccc(C(F)(F)F)c2)C1 ZINC000170836837 495620305 /nfs/dbraw/zinc/62/03/05/495620305.db2.gz BEIGYJYLJWJQJY-HNNXBMFYSA-N 1 0 357.420 3.329 10 0 FGAERO O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000179519881 495626372 /nfs/dbraw/zinc/62/63/72/495626372.db2.gz CAVZRVFIIRZSBW-CABCVRRESA-N 1 0 359.367 3.309 10 0 FGAERO CC(C)Oc1cc(Br)ccc1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170855602 495628533 /nfs/dbraw/zinc/62/85/33/495628533.db2.gz TXBNHVAEYOWBDQ-ZDUSSCGKSA-N 1 0 355.276 3.012 10 0 FGAERO C[NH+](C)[C@H]1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)C1 ZINC000170859011 495630956 /nfs/dbraw/zinc/63/09/56/495630956.db2.gz VRMJVWVVRDJFBX-IBGZPJMESA-N 1 0 360.461 3.315 10 0 FGAERO CC(C)[N@H+]1C[C@H](NC(=O)C2(c3ccc(Br)cc3)CC2)[C@@H](C)C1 ZINC000158999021 495634410 /nfs/dbraw/zinc/63/44/10/495634410.db2.gz JYFBSCXXJXGCFI-BBRMVZONSA-N 1 0 365.315 3.326 10 0 FGAERO CC(C)[C@H](Cc1ccccc1)C(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000176440280 495651430 /nfs/dbraw/zinc/65/14/30/495651430.db2.gz QVKZLSINWBOAPY-NQIIRXRSSA-N 1 0 360.542 3.053 10 0 FGAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)c2cc3cc(F)ccc3s2)CC1 ZINC000176448116 495654310 /nfs/dbraw/zinc/65/43/10/495654310.db2.gz IXEYTTLTPODFRV-ZDUSSCGKSA-N 1 0 364.486 3.205 10 0 FGAERO CCO[C@H]1C[C@@H]([NH2+]Cc2nc3cc(Cl)ccc3n2C)C12CCOCC2 ZINC000185651026 495661860 /nfs/dbraw/zinc/66/18/60/495661860.db2.gz LXUYJXIRUKPBQS-SJORKVTESA-N 1 0 363.889 3.291 10 0 FGAERO CCO[C@H]1C[C@@H]([NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)C12CCOCC2 ZINC000185667897 495671134 /nfs/dbraw/zinc/67/11/34/495671134.db2.gz RDINPDGZKBTGAR-MSOLQXFVSA-N 1 0 359.445 3.280 10 0 FGAERO CCO[C@H]1C[C@@H]([NH2+]Cc2c[nH]nc2-c2ccccc2F)C12CCOCC2 ZINC000185670255 495672201 /nfs/dbraw/zinc/67/22/01/495672201.db2.gz PVKYVIAYMSSOEU-MSOLQXFVSA-N 1 0 359.445 3.280 10 0 FGAERO CC[C@H](CC(=O)N1CCCN(Cc2cnn(C)c2)CC1)c1ccc(C)cc1 ZINC000159171034 495674929 /nfs/dbraw/zinc/67/49/29/495674929.db2.gz SWKAXYGHQBUMLP-HXUWFJFHSA-N 1 0 368.525 3.347 10 0 FGAERO Cn1cc([C@H]2CC[N@H+](Cc3ccc(I)cc3)C2)cn1 ZINC000173761574 495680871 /nfs/dbraw/zinc/68/08/71/495680871.db2.gz SSBGOWOQQLEPEJ-ZDUSSCGKSA-N 1 0 367.234 3.014 10 0 FGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cc2c(C(C)C)nn(C)c2s1 ZINC000173832814 495710909 /nfs/dbraw/zinc/71/09/09/495710909.db2.gz JXMAHFGREVGMAT-CYBMUJFWSA-N 1 0 350.532 3.464 10 0 FGAERO Cc1cc(NC(=O)N2CC[C@@H]([NH+](C)C)C2)ccc1NC(=O)c1ccco1 ZINC000171082342 495717225 /nfs/dbraw/zinc/71/72/25/495717225.db2.gz NWFRXTHJPKXATH-OAHLLOKOSA-N 1 0 356.426 3.008 10 0 FGAERO CCOc1ccc(Br)cc1NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000171084989 495718693 /nfs/dbraw/zinc/71/86/93/495718693.db2.gz QGILDOAMHZKFKL-LBPRGKRZSA-N 1 0 356.264 3.016 10 0 FGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCc1cccc(OC(C)(C)C)n1 ZINC000151059041 495726079 /nfs/dbraw/zinc/72/60/79/495726079.db2.gz GJEICJHFOOOIIT-QZTJIDSGSA-N 1 0 359.514 3.277 10 0 FGAERO FC(F)(F)c1ccccc1OCCCC[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000173904298 495740593 /nfs/dbraw/zinc/74/05/93/495740593.db2.gz LJCHQIUATTWKED-MRXNPFEDSA-N 1 0 372.431 3.271 10 0 FGAERO O=C(Nc1ccc(F)cc1Br)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000154829591 495741026 /nfs/dbraw/zinc/74/10/26/495741026.db2.gz YJPNSKCVSLSIHI-GFCCVEGCSA-N 1 0 356.239 3.290 10 0 FGAERO CC(C)COc1ccc([C@H](C)NC(=O)Nc2ccn(CC[NH+](C)C)n2)cc1 ZINC000154849856 495749419 /nfs/dbraw/zinc/74/94/19/495749419.db2.gz FPBJBCYTSUOECY-INIZCTEOSA-N 1 0 373.501 3.362 10 0 FGAERO C[C@@H](NC[C@@H](O)C[NH+]1CCCCC1)c1cc(Cl)ccc1OC(F)F ZINC000151321197 495804800 /nfs/dbraw/zinc/80/48/00/495804800.db2.gz QVUOQIZXXUVQAN-TZMCWYRMSA-N 1 0 362.848 3.439 10 0 FGAERO CC(C)[NH+]1CCC(C(=O)N2CC[C@@H](Oc3cccc(Cl)c3)C2)CC1 ZINC000179991857 495813203 /nfs/dbraw/zinc/81/32/03/495813203.db2.gz KEXZXDRRAZMBRR-GOSISDBHSA-N 1 0 350.890 3.440 10 0 FGAERO CC(C)COc1ncc(C(=O)N2CCN3CCCC[C@H]3C2)cc1Cl ZINC000183070451 495822238 /nfs/dbraw/zinc/82/22/38/495822238.db2.gz SRNOUOPHKXKEDV-HNNXBMFYSA-N 1 0 351.878 3.080 10 0 FGAERO CCSCc1ccc(C(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000176881330 495824530 /nfs/dbraw/zinc/82/45/30/495824530.db2.gz XZYALMBCHNYVLQ-MRXNPFEDSA-N 1 0 364.555 3.105 10 0 FGAERO O=C(NC1CC[NH+](CC2CC2)CC1)N1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000174123368 495828446 /nfs/dbraw/zinc/82/84/46/495828446.db2.gz LVMAMGLLHBKTHM-RTWAWAEBSA-N 1 0 371.525 3.159 10 0 FGAERO CC(C)NC(=O)NC(=O)[C@H](C)[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000180068869 495844464 /nfs/dbraw/zinc/84/44/64/495844464.db2.gz VAQPYXWIKQMQFZ-NHYWBVRUSA-N 1 0 371.403 3.369 10 0 FGAERO Cc1csc([C@@H]2CCCN(C(=O)NC[C@@H](C)C[NH+]3CCCCC3)C2)n1 ZINC000174171996 495848679 /nfs/dbraw/zinc/84/86/79/495848679.db2.gz BOTPQBDCHKNURU-NVXWUHKLSA-N 1 0 364.559 3.463 10 0 FGAERO CC(C)Cn1ccc2cc(NC(=O)NC[C@H](O)C[NH+]3CCCCC3)ccc21 ZINC000171402557 495857302 /nfs/dbraw/zinc/85/73/02/495857302.db2.gz HNEOSIGQFBROFI-IBGZPJMESA-N 1 0 372.513 3.266 10 0 FGAERO COc1ccc(C[N@@H+]2CCC[C@H]2Cn2ccnc2C)c(OC(F)F)c1 ZINC000180123258 495867924 /nfs/dbraw/zinc/86/79/24/495867924.db2.gz IMQOOLSQIOWRJW-HNNXBMFYSA-N 1 0 351.397 3.466 10 0 FGAERO CC[C@@](C)(O)C[NH2+][C@@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186182082 495888351 /nfs/dbraw/zinc/88/83/51/495888351.db2.gz HJTHQYWJVSJZCO-JKSUJKDBSA-N 1 0 350.260 3.079 10 0 FGAERO Cc1nn(-c2ccccc2)c(C)c1NC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000177029855 495891382 /nfs/dbraw/zinc/89/13/82/495891382.db2.gz WKDFYECZKSDQLU-KSSFIOAISA-N 1 0 355.486 3.339 10 0 FGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000177034672 495892765 /nfs/dbraw/zinc/89/27/65/495892765.db2.gz AAISTBOYDIYBIO-KRWDZBQOSA-N 1 0 354.454 3.170 10 0 FGAERO O[C@@H](CNC(c1ccc(F)cc1)c1ccc(F)cc1)C[NH+]1CCCCC1 ZINC000180210512 495909526 /nfs/dbraw/zinc/90/95/26/495909526.db2.gz CATOGIXMBJHOQV-FQEVSTJZSA-N 1 0 360.448 3.491 10 0 FGAERO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]2c2c(C)nn(C)c2C)cc1 ZINC000171519043 495909530 /nfs/dbraw/zinc/90/95/30/495909530.db2.gz IDRYOGKBRYGKTK-GOSISDBHSA-N 1 0 356.470 3.211 10 0 FGAERO CCO[C@H]1C[C@H]([NH2+]CC2(c3ccccc3)CCOCC2)C12CCOCC2 ZINC000186241836 495910868 /nfs/dbraw/zinc/91/08/68/495910868.db2.gz GOLUUSWAWGVDIF-PMACEKPBSA-N 1 0 359.510 3.299 10 0 FGAERO CCCC(=O)Nc1ccc(C[NH2+][C@@H]2C[C@@H](OCC)C23CCOCC3)cc1 ZINC000186249681 495913552 /nfs/dbraw/zinc/91/35/52/495913552.db2.gz JGSYUILQRITIRH-RTBURBONSA-N 1 0 360.498 3.489 10 0 FGAERO COC(=O)CN1CCC([NH2+][C@H]2CC3(CCCC3)Oc3ccccc32)CC1 ZINC000183343207 495939018 /nfs/dbraw/zinc/93/90/18/495939018.db2.gz CPFQYZLDJRTNBN-SFHVURJKSA-N 1 0 358.482 3.050 10 0 FGAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@@](O)(c2ccccc2)C(F)(F)F)C12CCOCC2 ZINC000186313746 495943090 /nfs/dbraw/zinc/94/30/90/495943090.db2.gz VREIUCCTPBKPCE-JFIYKMOQSA-N 1 0 373.415 3.000 10 0 FGAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000171606587 495945417 /nfs/dbraw/zinc/94/54/17/495945417.db2.gz XAEDRLKNCTZPKD-KRWDZBQOSA-N 1 0 366.383 3.374 10 0 FGAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccc3ccccc3c2)C12CCOCC2 ZINC000186330805 495950573 /nfs/dbraw/zinc/95/05/73/495950573.db2.gz FUUUVMOUGHOIKH-PWRODBHTSA-N 1 0 355.478 3.437 10 0 FGAERO Cc1cccc(NC[C@H]2CCN([C@@H](C)C(=O)Nc3cccnc3Cl)C2)[nH+]1 ZINC000171650897 495970774 /nfs/dbraw/zinc/97/07/74/495970774.db2.gz NVPHVCDDEPJSDM-LSDHHAIUSA-N 1 0 373.888 3.199 10 0 FGAERO COc1ccc(C[C@@H](C)C[NH2+][C@H]2CCc3nnc(C(C)C)n3C2)cc1F ZINC000186374826 495970812 /nfs/dbraw/zinc/97/08/12/495970812.db2.gz VXPIVJQJMMSSIW-ZBFHGGJFSA-N 1 0 360.477 3.332 10 0 FGAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3c(F)cccc3F)C2)C12CCOCC2 ZINC000186380737 495975136 /nfs/dbraw/zinc/97/51/36/495975136.db2.gz QXIUKWMNHLZEPC-ZTFGCOKTSA-N 1 0 366.452 3.107 10 0 FGAERO CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2csc(C(C)C)n2)ncn1 ZINC000186398960 495982583 /nfs/dbraw/zinc/98/25/83/495982583.db2.gz CHHGWXMJBSVIBJ-UONOGXRCSA-N 1 0 360.531 3.418 10 0 FGAERO Brc1cccc2c1CC[C@@H]2[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000151907123 495988708 /nfs/dbraw/zinc/98/87/08/495988708.db2.gz HOKRFLXSYGBZPK-GUYCJALGSA-N 1 0 373.298 3.485 10 0 FGAERO CCO[C@@H]1C[C@H]([NH2+]CCOc2ncccc2C(F)(F)F)C12CCOCC2 ZINC000186426700 495993717 /nfs/dbraw/zinc/99/37/17/495993717.db2.gz JPOKDAMZNHBNSS-LSDHHAIUSA-N 1 0 374.403 3.043 10 0 FGAERO CCN(CCCNC(=O)N1CCC(c2cc[nH]n2)CC1)c1ccccc1 ZINC000155561699 495996380 /nfs/dbraw/zinc/99/63/80/495996380.db2.gz STMVBEDUMMGNAD-UHFFFAOYSA-N 1 0 355.486 3.215 10 0 FGAERO O=C(Nc1ccccc1)c1cccc(C[N@@H+]2CCC[C@H](n3cncn3)C2)c1 ZINC000171705980 495998535 /nfs/dbraw/zinc/99/85/35/495998535.db2.gz IDCISZWXZZWADH-FQEVSTJZSA-N 1 0 361.449 3.368 10 0 FGAERO C[C@H](NC(=O)Nc1ccccc1)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177270097 496001530 /nfs/dbraw/zinc/00/15/30/496001530.db2.gz MZKXCTMXWOZYFX-INIZCTEOSA-N 1 0 372.513 3.110 10 0 FGAERO Cc1cnccc1CNC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000186472726 496011122 /nfs/dbraw/zinc/01/11/22/496011122.db2.gz LNBYNACYRJMPAT-HXUWFJFHSA-N 1 0 352.482 3.244 10 0 FGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1ccccc1OC(F)(F)F ZINC000177300365 496011258 /nfs/dbraw/zinc/01/12/58/496011258.db2.gz YDJKRMICMXOPGP-CQSZACIVSA-N 1 0 359.392 3.211 10 0 FGAERO C[C@H](CCc1ccc(O)cc1)[NH2+]Cc1nc(COc2ccccc2)n[nH]1 ZINC000186474891 496011819 /nfs/dbraw/zinc/01/18/19/496011819.db2.gz FPEQMHDRERWVEU-OAHLLOKOSA-N 1 0 352.438 3.200 10 0 FGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCc1ccc(Br)s1 ZINC000177324111 496018671 /nfs/dbraw/zinc/01/86/71/496018671.db2.gz ZEOHSFNQDPDYKU-GFCCVEGCSA-N 1 0 374.348 3.179 10 0 FGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1cc(-c2ccccc2)on1 ZINC000174612656 496032543 /nfs/dbraw/zinc/03/25/43/496032543.db2.gz FGCLGGSZQJFCNO-QZTJIDSGSA-N 1 0 354.454 3.110 10 0 FGAERO CC(C)c1nc([C@H]2CCCN2C(=O)NCCC[NH+]2CCC(C)CC2)no1 ZINC000177366914 496033932 /nfs/dbraw/zinc/03/39/32/496033932.db2.gz HATCBBYDFITYPE-MRXNPFEDSA-N 1 0 363.506 3.162 10 0 FGAERO CC(C)c1nc([C@H]2CCCN2C(=O)NCc2cccc(C[NH+](C)C)c2)no1 ZINC000177407800 496050740 /nfs/dbraw/zinc/05/07/40/496050740.db2.gz FLZRIQALFFQHBQ-QGZVFWFLSA-N 1 0 371.485 3.301 10 0 FGAERO CCc1nc2c(s1)[C@H]([NH2+]C[C@H]1CCCN1c1cc(NC)ncn1)CCC2 ZINC000180578017 496051955 /nfs/dbraw/zinc/05/19/55/496051955.db2.gz AVTZWMFOGUXJQV-ZIAGYGMSSA-N 1 0 372.542 3.173 10 0 FGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CCc2ccc(Br)cc2)C1 ZINC000155763110 496059779 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FGAERO O=C(NCc1ccc(Oc2ccc(F)cc2)nc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171900521 496082830 /nfs/dbraw/zinc/08/28/30/496082830.db2.gz QCEZGLLJSCVZLI-KRWDZBQOSA-N 1 0 370.428 3.003 10 0 FGAERO O=C(NCc1ccc(OCc2ccccc2)cc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171900395 496083286 /nfs/dbraw/zinc/08/32/86/496083286.db2.gz PILGIQZYDPBNNF-HXUWFJFHSA-N 1 0 365.477 3.255 10 0 FGAERO C[C@@H](NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(OC(F)(F)F)cc1 ZINC000171900277 496083470 /nfs/dbraw/zinc/08/34/70/496083470.db2.gz RLKBWNVIEHEXOZ-TZMCWYRMSA-N 1 0 357.376 3.136 10 0 FGAERO O=C(NCc1ccc(Oc2cccc(F)c2)nc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171905569 496085659 /nfs/dbraw/zinc/08/56/59/496085659.db2.gz IVRRNBUORFKYPA-QGZVFWFLSA-N 1 0 370.428 3.003 10 0 FGAERO O=C(NCc1ccc(Oc2cccnc2)c(F)c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171904626 496085858 /nfs/dbraw/zinc/08/58/58/496085858.db2.gz UDBBZIMWBCTDAP-MRXNPFEDSA-N 1 0 370.428 3.003 10 0 FGAERO CC(C)n1nccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000180649139 496086174 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FGAERO C[C@@H](C(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)c1cccs1 ZINC000174853339 496134600 /nfs/dbraw/zinc/13/46/00/496134600.db2.gz SOIAVRQUJVWXOY-VQIMIIECSA-N 1 0 372.534 3.413 10 0 FGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1csc(-c2c(F)cccc2F)n1 ZINC000172059940 496146226 /nfs/dbraw/zinc/14/62/26/496146226.db2.gz QGPGTBRUVZOSEB-VXGBXAGGSA-N 1 0 363.433 3.397 10 0 FGAERO CCO[C@H]1C[C@@H]([NH2+]Cc2cc(COC(C)(C)C)on2)C12CCOCC2 ZINC000186810741 496162963 /nfs/dbraw/zinc/16/29/63/496162963.db2.gz WXEHWXZSDBNDSF-SJORKVTESA-N 1 0 352.475 3.054 10 0 FGAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@@H](C)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000177698374 496163271 /nfs/dbraw/zinc/16/32/71/496163271.db2.gz WREQIJCVCFLXCM-JKSUJKDBSA-N 1 0 374.554 3.059 10 0 FGAERO CCOC(=O)c1nc(-c2ccccc2)oc1CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177756416 496183674 /nfs/dbraw/zinc/18/36/74/496183674.db2.gz XAXHXLMPLGZFJX-QGZVFWFLSA-N 1 0 369.465 3.188 10 0 FGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCc1ncc(-c2ccccc2)o1 ZINC000174964354 496185619 /nfs/dbraw/zinc/18/56/19/496185619.db2.gz BSJNEXIXPLJSIS-ZWKOTPCHSA-N 1 0 353.466 3.359 10 0 FGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(N2CCCCCC2)nc1 ZINC000174967350 496186826 /nfs/dbraw/zinc/18/68/26/496186826.db2.gz LELGEWCISXVXRI-RBUKOAKNSA-N 1 0 356.514 3.161 10 0 FGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCc1ncc(-c2ccccc2F)o1 ZINC000174974718 496188908 /nfs/dbraw/zinc/18/89/08/496188908.db2.gz JGBRMTRIRVKZPS-JKSUJKDBSA-N 1 0 371.456 3.499 10 0 FGAERO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)CC3 ZINC000180903105 496193626 /nfs/dbraw/zinc/19/36/26/496193626.db2.gz OHVZMFKIDNNZDT-IRXDYDNUSA-N 1 0 361.493 3.382 10 0 FGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCOc1ccc(CCC(C)=O)cc1 ZINC000174984084 496194093 /nfs/dbraw/zinc/19/40/93/496194093.db2.gz YSSCBOGBLAECJS-VQTJNVASSA-N 1 0 372.509 3.062 10 0 FGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(Br)cc1OC ZINC000175006177 496203220 /nfs/dbraw/zinc/20/32/20/496203220.db2.gz SAVRCJXHBPXOGQ-UONOGXRCSA-N 1 0 367.287 3.157 10 0 FGAERO [NH3+][C@H]1CC[C@@H](C(=O)NCC2(c3cccc(Br)c3)CCC2)C1 ZINC000152681413 496223865 /nfs/dbraw/zinc/22/38/65/496223865.db2.gz NTCCSVIIAINIFM-DOMZBBRYSA-N 1 0 351.288 3.114 10 0 FGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000175058479 496230501 /nfs/dbraw/zinc/23/05/01/496230501.db2.gz XUPHFCAOBRKXOR-IAGOWNOFSA-N 1 0 360.889 3.491 10 0 FGAERO C[C@@H]([NH2+][C@H](C)C1CCS(=O)(=O)CC1)c1cccc(Br)c1 ZINC000186963541 496230925 /nfs/dbraw/zinc/23/09/25/496230925.db2.gz HEZFYWLUDNFNDJ-VXGBXAGGSA-N 1 0 360.317 3.313 10 0 FGAERO CC1CC[NH+](C2CCC(NC(=O)N3CCC[C@@H]3c3cnn(C)c3)CC2)CC1 ZINC000152720918 496235554 /nfs/dbraw/zinc/23/55/54/496235554.db2.gz RKVSJQHDOMAEND-SOAGJPPSSA-N 1 0 373.545 3.310 10 0 FGAERO O=C(NCCC[NH+]1CCCCC1)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000177890952 496241497 /nfs/dbraw/zinc/24/14/97/496241497.db2.gz FQGFNDKHHNKFBU-INIZCTEOSA-N 1 0 357.420 3.335 10 0 FGAERO C[NH+](C)Cc1cccc(NC(=O)[C@H]2C[C@H](F)CN2C(=O)OC(C)(C)C)c1 ZINC000187102204 496294194 /nfs/dbraw/zinc/29/41/94/496294194.db2.gz KVTBJIIJKVFCMJ-GOEBONIOSA-N 1 0 365.449 3.034 10 0 FGAERO Fc1cc(-c2ccncc2)ccc1C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000156662651 496304687 /nfs/dbraw/zinc/30/46/87/496304687.db2.gz XDWFUFKTAYXWKN-INIZCTEOSA-N 1 0 351.429 3.391 10 0 FGAERO O=C(Nc1cc(F)ccc1SCC(F)F)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000172500679 496319129 /nfs/dbraw/zinc/31/91/29/496319129.db2.gz UOWVUTFXVQIIJT-LBPRGKRZSA-N 1 0 359.417 3.495 10 0 FGAERO CCc1cccc(CC)c1NC(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000175301809 496329686 /nfs/dbraw/zinc/32/96/86/496329686.db2.gz SHLFLDBJSIELHV-MRXNPFEDSA-N 1 0 361.530 3.368 10 0 FGAERO COCCC[NH+]1CCC(NC(=O)N[C@@H]2c3cc(C)ccc3C[C@H]2C)CC1 ZINC000181300903 496346119 /nfs/dbraw/zinc/34/61/19/496346119.db2.gz ILCWGGLEWJMENK-UZLBHIALSA-N 1 0 359.514 3.028 10 0 FGAERO CCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000184378712 496358942 /nfs/dbraw/zinc/35/89/42/496358942.db2.gz IEGWSAMNBQJNBS-RTBURBONSA-N 1 0 354.498 3.225 10 0 FGAERO CC[C@@H]1CN(C(=O)CCCc2cc(C)sc2C)CC[N@@H+]1CCOC ZINC000175424312 496386807 /nfs/dbraw/zinc/38/68/07/496386807.db2.gz BRLUOYJATYKPAL-GOSISDBHSA-N 1 0 352.544 3.257 10 0 FGAERO CCC[C@@H](C(=O)Nc1nnc(Cc2ccc(Cl)cc2)s1)[NH+](C)C ZINC000187354045 496406184 /nfs/dbraw/zinc/40/61/84/496406184.db2.gz NYTJTLQKJWWHBJ-ZDUSSCGKSA-N 1 0 352.891 3.451 10 0 FGAERO Cc1nccn1C[C@H]1CCC[N@H+]1CC(=O)N(Cc1ccccc1)C(C)C ZINC000178313317 496409277 /nfs/dbraw/zinc/40/92/77/496409277.db2.gz TZRAVYCODXHMGX-HXUWFJFHSA-N 1 0 354.498 3.093 10 0 FGAERO Cc1nccn1C[C@H]1CCC[N@@H+]1C[C@@H](O)COc1c(C)ccc(C)c1C ZINC000178328162 496415070 /nfs/dbraw/zinc/41/50/70/496415070.db2.gz KXRZBWUBECZWRO-WOJBJXKFSA-N 1 0 357.498 3.021 10 0 FGAERO COC(=O)c1cc2cc(C[NH+]3CCC(c4ccnn4C)CC3)ccc2o1 ZINC000172770673 496423377 /nfs/dbraw/zinc/42/33/77/496423377.db2.gz WRCSZLCKLIWEFP-UHFFFAOYSA-N 1 0 353.422 3.333 10 0 FGAERO C[C@@H](CCNC(=O)N1CCC[C@@H]1c1cnn(C)c1)[N@H+](C)Cc1ccccc1 ZINC000175641551 496479171 /nfs/dbraw/zinc/47/91/71/496479171.db2.gz XRLDOKQHEAAKKH-FXAWDEMLSA-N 1 0 369.513 3.177 10 0 FGAERO C[NH+](C)C1(CNC(=O)N[C@H]2c3ccccc3CCC2(C)C)CCOCC1 ZINC000157468614 496482305 /nfs/dbraw/zinc/48/23/05/496482305.db2.gz GDQMJAIDXGLMEN-SFHVURJKSA-N 1 0 359.514 3.110 10 0 FGAERO CCN1CC[NH+](CCCCNC(=O)N[C@@H]2CC[C@H](C)c3ccccc32)CC1 ZINC000153556488 496497104 /nfs/dbraw/zinc/49/71/04/496497104.db2.gz CKNYZHVRCRRDGS-GHTZIAJQSA-N 1 0 372.557 3.342 10 0 FGAERO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000181693266 496506425 /nfs/dbraw/zinc/50/64/25/496506425.db2.gz AWQVHVQZXZPDRZ-GOSISDBHSA-N 1 0 360.546 3.459 10 0 FGAERO Cc1oc2ccc(NC(=O)C(=O)N[C@H](CC(C)C)C[NH+](C)C)cc2c1C ZINC000187610229 496509751 /nfs/dbraw/zinc/50/97/51/496509751.db2.gz VWQGZSQSMCXEBU-MRXNPFEDSA-N 1 0 359.470 3.081 10 0 FGAERO C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178624906 496520490 /nfs/dbraw/zinc/52/04/90/496520490.db2.gz RCPIEOUFKGBSJN-YQVWRLOYSA-N 1 0 351.494 3.186 10 0 FGAERO C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178624968 496520653 /nfs/dbraw/zinc/52/06/53/496520653.db2.gz NMDGGCRDTIQGCT-CSODHUTKSA-N 1 0 351.494 3.186 10 0 FGAERO C[C@@H]([NH3+])CCNC(=O)c1cccnc1Oc1ccc(Br)cc1 ZINC000178637739 496525577 /nfs/dbraw/zinc/52/55/77/496525577.db2.gz CTDOTMFRCSVJRH-LLVKDONJSA-N 1 0 364.243 3.104 10 0 FGAERO CC[C@@H]1CN(C(=O)Nc2ccccc2CSC)CC[N@@H+]1CCOC ZINC000184775035 496527545 /nfs/dbraw/zinc/52/75/45/496527545.db2.gz WNPSCJYGOMIJON-MRXNPFEDSA-N 1 0 351.516 3.124 10 0 FGAERO Cc1cc(=O)oc2cc(OCC[NH+]3CCC(c4ccnn4C)CC3)ccc12 ZINC000157734843 496542383 /nfs/dbraw/zinc/54/23/83/496542383.db2.gz JPYVKWITXHTDEJ-UHFFFAOYSA-N 1 0 367.449 3.093 10 0 FGAERO Cc1cc(Br)c(F)cc1NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000184823078 496545742 /nfs/dbraw/zinc/54/57/42/496545742.db2.gz VTWHMTVNGSDWQK-LLVKDONJSA-N 1 0 356.239 3.209 10 0 FGAERO CC(C)(C)OC(=O)CCCC[NH+]1CCN(c2nc3ccccc3o2)CC1 ZINC000181809103 496553300 /nfs/dbraw/zinc/55/33/00/496553300.db2.gz MOLZRRTVGWDGRD-UHFFFAOYSA-N 1 0 359.470 3.462 10 0 FGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000153744063 496564818 /nfs/dbraw/zinc/56/48/18/496564818.db2.gz CJUCDTVVYZKJDA-SXLOBPIMSA-N 1 0 359.514 3.280 10 0 FGAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)NCCCCC2CCCC2)CC1 ZINC000181869200 496579062 /nfs/dbraw/zinc/57/90/62/496579062.db2.gz SKNHCMZTVILLKX-KRWDZBQOSA-N 1 0 353.551 3.081 10 0 FGAERO COc1ccc2c(c1)[C@H](NC[C@@H](O)C[NH+]1CCCCC1)CCCS2 ZINC000187820690 496584075 /nfs/dbraw/zinc/58/40/75/496584075.db2.gz XECXMWWWKXJSFU-CRAIPNDOSA-N 1 0 350.528 3.059 10 0 FGAERO C[C@H]1CC[C@H](C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)O1 ZINC000153830636 496593768 /nfs/dbraw/zinc/59/37/68/496593768.db2.gz PNBPPFPPYKESDH-GHTZIAJQSA-N 1 0 358.526 3.405 10 0 FGAERO CC(=O)N[C@H]1CCC[N@H+](Cc2cc(C)c(OCc3ccccn3)c(C)c2)C1 ZINC000153838137 496597220 /nfs/dbraw/zinc/59/72/20/496597220.db2.gz IOKGECLKQDXSSB-FQEVSTJZSA-N 1 0 367.493 3.378 10 0 FGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000153847429 496600127 /nfs/dbraw/zinc/60/01/27/496600127.db2.gz GMOKALLXAGZLOT-KCLUMXDGSA-N 1 0 371.525 3.423 10 0 FGAERO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1CCc1nc(-c2ccccc2)no1 ZINC000157996437 496604145 /nfs/dbraw/zinc/60/41/45/496604145.db2.gz ILFDHNCLOPTVCJ-QGZVFWFLSA-N 1 0 351.454 3.467 10 0 FGAERO C[NH+](C)CCN(Cc1ccco1)C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000153904758 496619236 /nfs/dbraw/zinc/61/92/36/496619236.db2.gz LAJYISDEMNECGS-UONOGXRCSA-N 1 0 361.408 3.474 10 0 FGAERO C[C@@H](O)C[N@@H+]1CCN(C(=O)N[C@H](C)c2cc(Cl)ccc2Cl)C[C@@H]1C ZINC000187940636 496625801 /nfs/dbraw/zinc/62/58/01/496625801.db2.gz GNRWPJMRIFEXLD-YNEHKIRRSA-N 1 0 374.312 3.151 10 0 FGAERO C[NH+](C)[C@@H](CNC(=O)CN1CCCC[C@@H]1c1nccs1)c1ccccc1 ZINC000158113220 496630133 /nfs/dbraw/zinc/63/01/33/496630133.db2.gz PPPTXOQDHFJJAN-MSOLQXFVSA-N 1 0 372.538 3.089 10 0 FGAERO C[C@H](COCc1ccccc1)NC(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000173337159 496648381 /nfs/dbraw/zinc/64/83/81/496648381.db2.gz DLYVRINLCYZSPE-QUCCMNQESA-N 1 0 359.514 3.252 10 0 FGAERO O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)[C@H]1C[C@@H]1C1CCCCC1 ZINC000176037972 496653916 /nfs/dbraw/zinc/65/39/16/496653916.db2.gz SNNZCLKGABCBRV-YADHBBJMSA-N 1 0 370.537 3.476 10 0 FGAERO C[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000188024812 496655394 /nfs/dbraw/zinc/65/53/94/496655394.db2.gz BHGSQVFSEZWRTO-KRWDZBQOSA-N 1 0 374.525 3.477 10 0 FGAERO Cn1c(C[N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)nc2cc(Cl)ccc21 ZINC000188065569 496668960 /nfs/dbraw/zinc/66/89/60/496668960.db2.gz HPMLFOXMFDWKOP-ZFWWWQNUSA-N 1 0 361.898 3.496 10 0 FGAERO CC[C@H](C)C(=O)Nc1cccc(CNC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000158295729 496670678 /nfs/dbraw/zinc/67/06/78/496670678.db2.gz MXTOHSIGSWXVKS-TXPKVOOTSA-N 1 0 374.529 3.199 10 0 FGAERO OC[C@@H]1C[N@H+](Cc2ccn(-c3ccc(F)cc3)n2)C[C@H]1c1ccsc1 ZINC000188094278 496680272 /nfs/dbraw/zinc/68/02/72/496680272.db2.gz FEPUTYCZGJYAKL-KXBFYZLASA-N 1 0 357.454 3.281 10 0 FGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1nn(-c2c(F)cccc2F)cc1C ZINC000188099232 496682348 /nfs/dbraw/zinc/68/23/48/496682348.db2.gz HHTMBWBJWVBFLV-LSDHHAIUSA-N 1 0 374.435 3.158 10 0 FGAERO C[C@H](C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C)c1ccc(Br)s1 ZINC000173438867 496693688 /nfs/dbraw/zinc/69/36/88/496693688.db2.gz OUOBZQJKUVTAOZ-SDDRHHMPSA-N 1 0 357.317 3.309 10 0 FGAERO Cc1ccccc1COc1ccccc1C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000185184799 496696054 /nfs/dbraw/zinc/69/60/54/496696054.db2.gz QLGMWTKYTGVMFH-DBVUQKKJSA-N 1 0 350.462 3.383 10 0 FGAERO C[C@@H](NC(=O)N1CC[NH+](C2CCOCC2)CC1)c1ccc2ccccc2c1 ZINC000176149826 496705093 /nfs/dbraw/zinc/70/50/93/496705093.db2.gz MRMYUOHAEUFTPF-QGZVFWFLSA-N 1 0 367.493 3.407 10 0 FGAERO COc1ccc(C[C@H](C)C[NH+]2CCC(Nc3cccnn3)CC2)cc1F ZINC000185246811 496716060 /nfs/dbraw/zinc/71/60/60/496716060.db2.gz XCXWKEKNGULLOB-HNNXBMFYSA-N 1 0 358.461 3.379 10 0 FGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(=O)[nH]c2c(F)cc(C)cc12 ZINC000182248254 496719063 /nfs/dbraw/zinc/71/90/63/496719063.db2.gz WULLPCUYAIXPMQ-UONOGXRCSA-N 1 0 357.429 3.087 10 0 FGAERO C[NH+](C)C[C@H](NC(=O)NCc1ccc(OC(C)(C)C)nc1)c1ccccc1 ZINC000182254847 496720838 /nfs/dbraw/zinc/72/08/38/496720838.db2.gz RFTCQQZAUJVEIH-SFHVURJKSA-N 1 0 370.497 3.361 10 0 FGAERO C[N@@H+]1CC[C@H](NC(=O)N2CCC[C@H](C(F)(F)F)C2)[C@@H]1c1ccccc1 ZINC000179266529 496723319 /nfs/dbraw/zinc/72/33/19/496723319.db2.gz MFOJNVUMKFIIGB-JYJNAYRXSA-N 1 0 355.404 3.416 10 0 FGAERO Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3cc4ccccc4o3)C2=O)n(C)n1 ZINC000182340657 496730414 /nfs/dbraw/zinc/73/04/14/496730414.db2.gz QPFWPIHBRAFGFD-HOCLYGCPSA-N 1 0 352.438 3.321 10 0 FGAERO Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3ccc4c(c3)CCC4)C2=O)n(C)n1 ZINC000182347233 496730712 /nfs/dbraw/zinc/73/07/12/496730712.db2.gz FTRHGQZCIOVMDS-DNVCBOLYSA-N 1 0 352.482 3.063 10 0 FGAERO CC[C@@H](Cc1ccc(C)cc1)[NH2+][C@H]1CCCN(c2cc(C)nn2C)C1=O 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ZPDKXDRAKWJKAN-AAEUAGOBSA-N 1 0 352.891 3.290 10 0 FGAERO CC(C)[N@H+]1C[C@H](NC(=O)c2ccc(C(=O)c3cccc(O)c3)cc2)[C@@H](C)C1 ZINC000188364976 496764689 /nfs/dbraw/zinc/76/46/89/496764689.db2.gz KXHTYOWUUJGTBQ-YWZLYKJASA-N 1 0 366.461 3.082 10 0 FGAERO Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000247186406 496800672 /nfs/dbraw/zinc/80/06/72/496800672.db2.gz LEDXXLMFTYIBOH-DYVFJYSZSA-N 1 0 373.497 3.490 10 0 FGAERO Cn1c(CN2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)nnc1C1CC1 ZINC000195050995 496804573 /nfs/dbraw/zinc/80/45/73/496804573.db2.gz DJSFRNVUXFGWJF-UHFFFAOYSA-N 1 0 359.905 3.054 10 0 FGAERO O=C([C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000247240929 496812940 /nfs/dbraw/zinc/81/29/40/496812940.db2.gz XOLZTMHNFQMNGK-XQBPLPMBSA-N 1 0 374.500 3.191 10 0 FGAERO C[N@H+](C[C@H](O)COC(c1ccccc1)c1ccccc1)C[C@@H]1CCC[C@H]1O ZINC000247251593 496816504 /nfs/dbraw/zinc/81/65/04/496816504.db2.gz ZWJUGCHUCTWNDI-FDFHNCONSA-N 1 0 369.505 3.246 10 0 FGAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(c3ccccc3Cl)CCOCC2)C1 ZINC000247276046 496821839 /nfs/dbraw/zinc/82/18/39/496821839.db2.gz KDGPCDRGFYCQOK-CRAIPNDOSA-N 1 0 364.917 3.233 10 0 FGAERO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(Cc2ccncc2Cl)C1 ZINC000195259957 496864789 /nfs/dbraw/zinc/86/47/89/496864789.db2.gz LBOSCPRAUZVMCT-CQSZACIVSA-N 1 0 350.919 3.454 10 0 FGAERO Cc1noc(CSc2ccccc2C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)n1 ZINC000247476214 496867450 /nfs/dbraw/zinc/86/74/50/496867450.db2.gz VQXBOLDJDKNDEY-CZUORRHYSA-N 1 0 374.510 3.129 10 0 FGAERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(Cc2nc(C3CCCC3)no2)C1 ZINC000195274558 496871961 /nfs/dbraw/zinc/87/19/61/496871961.db2.gz CBINFGBDNBXYTG-QGZVFWFLSA-N 1 0 355.486 3.076 10 0 FGAERO C[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)COC(c2ccccc2)c2ccccc2)C1 ZINC000247508848 496875095 /nfs/dbraw/zinc/87/50/95/496875095.db2.gz VRGQJYFJWGBXKZ-DENIHFKCSA-N 1 0 368.521 3.037 10 0 FGAERO COc1ccc(OCCC[N@@H+]2CC[C@H](CN(C)Cc3cccnc3)C2)cc1 ZINC000195291279 496877373 /nfs/dbraw/zinc/87/73/73/496877373.db2.gz LDJYVYPGHPBBOV-HXUWFJFHSA-N 1 0 369.509 3.313 10 0 FGAERO O=C(CCc1ncc(-c2ccccc2Cl)o1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195325360 496888943 /nfs/dbraw/zinc/88/89/43/496888943.db2.gz XZJHEGLUMXRWRY-AWEZNQCLSA-N 1 0 359.857 3.234 10 0 FGAERO C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc(-c3ccccc3)cc2)C[C@H]1C ZINC000247567561 496891259 /nfs/dbraw/zinc/89/12/59/496891259.db2.gz RKCFODUBQHOMHF-SJORKVTESA-N 1 0 353.466 3.272 10 0 FGAERO CC(C)c1c(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cnn1-c1ccc(F)cc1 ZINC000195329542 496891395 /nfs/dbraw/zinc/89/13/95/496891395.db2.gz HQNDGTSSRLCJKX-KRWDZBQOSA-N 1 0 356.445 3.055 10 0 FGAERO Cc1csc([C@H]2CCC[N@H+](CCCN3C(=O)c4ccccc4C3=O)C2)n1 ZINC000195331107 496891777 /nfs/dbraw/zinc/89/17/77/496891777.db2.gz IPISITYOWMSNIG-HNNXBMFYSA-N 1 0 369.490 3.317 10 0 FGAERO Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195331055 496892373 /nfs/dbraw/zinc/89/23/73/496892373.db2.gz YZFJMHSSTSLDRR-MRXNPFEDSA-N 1 0 359.470 3.102 10 0 FGAERO Brc1ccc(-c2cnc(CN3CC[N@@H+]4CCC[C@H]4C3)o2)cc1 ZINC000247574898 496892343 /nfs/dbraw/zinc/89/23/43/496892343.db2.gz SDIBCAPXFDLIRE-HNNXBMFYSA-N 1 0 362.271 3.384 10 0 FGAERO Cc1cc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc(C)c1OCc1cccnc1 ZINC000195331933 496892411 /nfs/dbraw/zinc/89/24/11/496892411.db2.gz VMDLOURGDYHUAQ-FQEVSTJZSA-N 1 0 365.477 3.198 10 0 FGAERO O=C(N[C@H]1CCCc2cc(OC(F)F)ccc21)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247601876 496895013 /nfs/dbraw/zinc/89/50/13/496895013.db2.gz UUFVUFDJVGPEAX-YOEHRIQHSA-N 1 0 365.424 3.155 10 0 FGAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCCc2csc(C(C)(C)C)n2)C1 ZINC000247800501 496916174 /nfs/dbraw/zinc/91/61/74/496916174.db2.gz UXQGXWTZAIDTJD-DZGCQCFKSA-N 1 0 352.548 3.011 10 0 FGAERO CC(C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000247817329 496918967 /nfs/dbraw/zinc/91/89/67/496918967.db2.gz WMJHXZAKQGKPBU-DLBZAZTESA-N 1 0 355.486 3.141 10 0 FGAERO Cc1ccc(C[N@H+](C[C@@H](O)COCc2ccco2)C[C@H]2CCCO2)c(C)c1 ZINC000247875505 496923681 /nfs/dbraw/zinc/92/36/81/496923681.db2.gz NXRZSNVCPMEQQB-NHCUHLMSSA-N 1 0 373.493 3.455 10 0 FGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cnn(CC(C)C)c1C(F)F ZINC000247966539 496934630 /nfs/dbraw/zinc/93/46/30/496934630.db2.gz DTRWWUDUMZKYAU-KBPBESRZSA-N 1 0 354.445 3.176 10 0 FGAERO CN(C(=O)C[NH+]1CCC(c2ccnn2C)CC1)[C@H]1CCCc2ccccc21 ZINC000195502940 496942049 /nfs/dbraw/zinc/94/20/49/496942049.db2.gz NZYGWKSWBCWBNE-NRFANRHFSA-N 1 0 366.509 3.136 10 0 FGAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)C1 ZINC000248008785 496942434 /nfs/dbraw/zinc/94/24/34/496942434.db2.gz LAOJONDDXYMXHT-BMFZPTHFSA-N 1 0 357.420 3.188 10 0 FGAERO C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000195507757 496945345 /nfs/dbraw/zinc/94/53/45/496945345.db2.gz VKCIFBWTMDHLPK-MRXNPFEDSA-N 1 0 367.497 3.217 10 0 FGAERO C[NH+](C)C[C@H](NCc1cnn(Cc2ccc(F)cc2)c1)c1ccccc1 ZINC000189009011 496976403 /nfs/dbraw/zinc/97/64/03/496976403.db2.gz ANLOSJHNLFUIQF-NRFANRHFSA-N 1 0 352.457 3.463 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Cc1nnc([C@H]2OCC[C@H]2C[NH2+][C@@H](C)CCc2ccc(F)cc2F)[nH]1 ZINC000888094243 739470277 /nfs/dbraw/zinc/47/02/77/739470277.db2.gz GSYKWEXZMRZVGW-YLVFBTJISA-N 1 0 350.413 3.080 10 0 FGAERO O=C(NCC[N@@H+]1CC[C@H](c2ccccc2)C1)c1cn(C2CCCCC2)nn1 ZINC000012592191 220010980 /nfs/dbraw/zinc/01/09/80/220010980.db2.gz WWQIPEWBOFWRHU-SFHVURJKSA-N 1 0 367.497 3.003 10 0 FGAERO CC(=O)N1c2ccccc2C[C@@H]1C(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000015773431 220164113 /nfs/dbraw/zinc/16/41/13/220164113.db2.gz FLNPGUSXOPNXKV-OAQYLSRUSA-N 1 0 363.461 3.199 10 0 FGAERO [NH3+][C@@H](c1ccc2c(c1)CCO2)c1ccccc1I ZINC000019971135 220308163 /nfs/dbraw/zinc/30/81/63/220308163.db2.gz PJVXPNXYQFXORJ-HNNXBMFYSA-N 1 0 351.187 3.274 10 0 FGAERO CN(Cc1ccccc1)C1(C[NH2+]C[C@@H]2CCOC2)Cc2ccccc2C1 ZINC000020598971 220335526 /nfs/dbraw/zinc/33/55/26/220335526.db2.gz WLWWSCMPNYIZTK-FQEVSTJZSA-N 1 0 350.506 3.282 10 0 FGAERO COc1cccc([C@H]2CC[N@@H+]2Cc2cn(CCC(N)=O)c3ccccc23)c1 ZINC000055386277 221068345 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Clc1ccc(CNc2cc(Cl)nc(N3CC[NH2+]CC3)n2)c(Cl)c1 ZINC000261508714 132377366 /nfs/dbraw/zinc/37/73/66/132377366.db2.gz WDFIEXFTYHJPOJ-UHFFFAOYSA-N 1 0 372.687 3.459 10 0 FGAERO C[C@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(Br)cc1Br ZINC000104219122 222352393 /nfs/dbraw/zinc/35/23/93/222352393.db2.gz CHTSEEUVXYAHOH-IONNQARKSA-N 1 0 362.065 3.006 10 0 FGAERO COc1ccc(Cc2n[nH]c3c2C[N@@H+](C2CCSCC2)CC3)cc1OC ZINC000020450190 263380849 /nfs/dbraw/zinc/38/08/49/263380849.db2.gz UXBYNGKFRWCOOP-UHFFFAOYSA-N 1 0 373.522 3.271 10 0 FGAERO C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccco1)c1cccc(Br)c1 ZINC000038012484 263399368 /nfs/dbraw/zinc/39/93/68/263399368.db2.gz VHBNRXIJRHGFRK-NEPJUHHUSA-N 1 0 351.244 3.398 10 0 FGAERO C[C@@H](NC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)[C@H]1CCCO1 ZINC000057632367 493779974 /nfs/dbraw/zinc/77/99/74/493779974.db2.gz QIPXQXOYOYCSPE-YLJYHZDGSA-N 1 0 359.514 3.429 10 0 FGAERO CC[NH+](CC)[C@H]1CCN(C(=O)N[C@@H](C)c2cccc(-n3ccnc3)c2)C1 ZINC000076471216 493899767 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Brc1cc(C[NH2+]CC[C@@H]2CCCO2)cc2c1OCCCO2 ZINC000038096037 494111570 /nfs/dbraw/zinc/11/15/70/494111570.db2.gz NMZSCVAIWDCISE-ZDUSSCGKSA-N 1 0 356.260 3.269 10 0 FGAERO C[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NC1CC1)c1ccc(-c2ccccc2)cc1 ZINC000053780146 494165697 /nfs/dbraw/zinc/16/56/97/494165697.db2.gz NRQLVHZNWVQVAJ-CABCVRRESA-N 1 0 351.450 3.381 10 0 FGAERO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccco1)c1ccc(F)c(F)c1 ZINC000088478346 494241868 /nfs/dbraw/zinc/24/18/68/494241868.db2.gz MVILKKJCHIFRQZ-CYBMUJFWSA-N 1 0 351.397 3.392 10 0 FGAERO C[C@H](NC(=O)NCCC[NH2+]C1CCCCC1)c1ccc2c(c1)OCCO2 ZINC000043036234 494259119 /nfs/dbraw/zinc/25/91/19/494259119.db2.gz RWAAOPKVSNIGHT-HNNXBMFYSA-N 1 0 361.486 3.130 10 0 FGAERO Cc1cccn2c(=O)cc(C[N@@H+]3CCC[C@H]3C[C@H](O)c3ccccc3)nc12 ZINC000072867520 494271646 /nfs/dbraw/zinc/27/16/46/494271646.db2.gz OZKOSHUZOPULBD-PMACEKPBSA-N 1 0 363.461 3.091 10 0 FGAERO C[C@@H](NC(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1)c1cccs1 ZINC000043289604 494284220 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CC(C)C[C@H](C[NH+](C)C)NC(=O)N(Cc1cccs1)C[C@H]1CCCO1 ZINC000079495430 494465050 /nfs/dbraw/zinc/46/50/50/494465050.db2.gz DBYZDLZKNTVVCE-IAGOWNOFSA-N 1 0 367.559 3.415 10 0 FGAERO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(OC)c(OC)c2)cc1 ZINC000056182041 494466579 /nfs/dbraw/zinc/46/65/79/494466579.db2.gz KGUPDKSDEOXUOE-UONOGXRCSA-N 1 0 358.438 3.390 10 0 FGAERO Cc1cc(C)c(NC(=O)CNC(=O)C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)c(C)c1 ZINC000067132680 494480779 /nfs/dbraw/zinc/48/07/79/494480779.db2.gz ZNEPITMGUIJYOY-MOPGFXCFSA-N 1 0 371.525 3.321 10 0 FGAERO Cc1cc2nc(N3CCC([N@@H+]4CC[C@@H](N(C)C)C4)CC3)nc(C)c2cc1C ZINC000020863417 494481744 /nfs/dbraw/zinc/48/17/44/494481744.db2.gz UNIKEBFRGBALSS-LJQANCHMSA-N 1 0 367.541 3.160 10 0 FGAERO Cc1cc2nc(N3CCC([N@@H+]4CC[C@H](N(C)C)C4)CC3)nc(C)c2cc1C ZINC000020863422 494481783 /nfs/dbraw/zinc/48/17/83/494481783.db2.gz UNIKEBFRGBALSS-IBGZPJMESA-N 1 0 367.541 3.160 10 0 FGAERO O[C@@H](COc1cccc(Br)c1)C[N@@H+]1CCc2sccc2C1 ZINC000022549899 494526916 /nfs/dbraw/zinc/52/69/16/494526916.db2.gz VGGJFQANHZYPRM-CQSZACIVSA-N 1 0 368.296 3.309 10 0 FGAERO CCN1CCC[C@@H]([NH2+]Cc2cc(OC)ccc2OCc2ccccn2)C1 ZINC000067449328 494543668 /nfs/dbraw/zinc/54/36/68/494543668.db2.gz REBRBHQRCVHIMS-GOSISDBHSA-N 1 0 355.482 3.243 10 0 FGAERO O=C(Nc1ccc(F)cc1OCC(F)F)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000091192427 494553856 /nfs/dbraw/zinc/55/38/56/494553856.db2.gz SYNVOUDSUDRHPZ-CYBMUJFWSA-N 1 0 357.376 3.172 10 0 FGAERO COc1ccc(OCCCNC(=O)N[C@H](C[NH+](C)C)c2ccccc2)cc1 ZINC000056955049 494603146 /nfs/dbraw/zinc/60/31/46/494603146.db2.gz FOIHRSBIZXUHTH-HXUWFJFHSA-N 1 0 371.481 3.066 10 0 FGAERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1cc(F)ccc1OC[C@H]1CCCO1 ZINC000107821893 494606573 /nfs/dbraw/zinc/60/65/73/494606573.db2.gz ILLPESAEBAYCND-GOEBONIOSA-N 1 0 367.465 3.235 10 0 FGAERO C[C@@H](NC(=O)Nc1ccccc1)C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000047038327 494623515 /nfs/dbraw/zinc/62/35/15/494623515.db2.gz NNVKKOAODUZCJZ-KZNAEPCWSA-N 1 0 374.529 3.071 10 0 FGAERO CCOCC[N@@H+]1CCN(C(=O)CCc2c[nH]c3c2cccc3C)C[C@H]1CC ZINC000121206733 494645691 /nfs/dbraw/zinc/64/56/91/494645691.db2.gz NYIRFMWDWVDYHS-LJQANCHMSA-N 1 0 371.525 3.368 10 0 FGAERO O=C(NC[C@H](O)C[NH+]1CCCCC1)Nc1ccccc1CCC(F)(F)F ZINC000126242639 494684273 /nfs/dbraw/zinc/68/42/73/494684273.db2.gz JINSJSOOLLHTJB-HNNXBMFYSA-N 1 0 373.419 3.150 10 0 FGAERO COC(=O)c1sc(N2CCC[C@@H]([NH2+]Cc3ccccc3)C2)nc1Cl ZINC000092675899 494709438 /nfs/dbraw/zinc/70/94/38/494709438.db2.gz LJQDCOQHGCOGHT-CYBMUJFWSA-N 1 0 365.886 3.342 10 0 FGAERO C[NH+](C)C[C@@H](NC(=O)CCCc1nc2ccccc2[nH]1)c1ccccc1 ZINC000047455045 494714927 /nfs/dbraw/zinc/71/49/27/494714927.db2.gz AOQRNKQMSMXOAR-LJQANCHMSA-N 1 0 350.466 3.305 10 0 FGAERO Cn1cc([C@H]2CC[N@H+](Cc3cccc(C(=O)N4CCCCC4)c3)C2)cn1 ZINC000116311706 494757478 /nfs/dbraw/zinc/75/74/78/494757478.db2.gz NYEJMPKGVAGJKI-IBGZPJMESA-N 1 0 352.482 3.036 10 0 FGAERO Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3cn(C)nc3-c3cccnc3)C2)n1 ZINC000092813143 494757963 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/nfs/dbraw/zinc/55/14/71/495551471.db2.gz AMWUEGSNFCWMBA-GOSISDBHSA-N 1 0 363.502 3.191 10 0 FGAERO COCCC[NH+]1CCC(NC(=O)N2CCCC[C@H]2c2ccc(C)o2)CC1 ZINC000173491253 495554997 /nfs/dbraw/zinc/55/49/97/495554997.db2.gz CNRLEXOTGQUWBQ-SFHVURJKSA-N 1 0 363.502 3.326 10 0 FGAERO O=C(Nc1ccc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)s1)Nc1ccccc1 ZINC000176241524 495559994 /nfs/dbraw/zinc/55/99/94/495559994.db2.gz CLNYSQWKBKWUAM-HNNXBMFYSA-N 1 0 370.478 3.312 10 0 FGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccc(OCCOC)c(Cl)c1 ZINC000176317006 495596175 /nfs/dbraw/zinc/59/61/75/495596175.db2.gz URQMBXKVZUPDEH-OAHLLOKOSA-N 1 0 369.893 3.313 10 0 FGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000182531517 495601849 /nfs/dbraw/zinc/60/18/49/495601849.db2.gz TULKZSXFOYHENA-MWLCHTKSSA-N 1 0 374.229 3.428 10 0 FGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccccc1-c1nncn1C(C)C ZINC000176337533 495607601 /nfs/dbraw/zinc/60/76/01/495607601.db2.gz FPFXOGPIGYFJRJ-INIZCTEOSA-N 1 0 370.501 3.474 10 0 FGAERO COC(=O)C1CCC(C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000179509995 495620692 /nfs/dbraw/zinc/62/06/92/495620692.db2.gz ZKLKETLTEFQXHN-QHGAOEGBSA-N 1 0 372.509 3.089 10 0 FGAERO C[NH+](C)[C@@H]1CCN(C(=O)NCc2cccc(NC(=O)C3CCCCC3)c2)C1 ZINC000170834607 495620724 /nfs/dbraw/zinc/62/07/24/495620724.db2.gz VLFQWWDGTVRBRP-LJQANCHMSA-N 1 0 372.513 3.051 10 0 FGAERO CC(C)[C@@H](NC(=O)N[C@H](C[NH+](C)C)c1ccccc1)c1nc(C2CC2)no1 ZINC000170837940 495621890 /nfs/dbraw/zinc/62/18/90/495621890.db2.gz GGFALCUIXQASCB-IAGOWNOFSA-N 1 0 371.485 3.246 10 0 FGAERO CC(C)[C@H](NC(=O)N[C@@H](C[NH+](C)C)c1ccccc1)c1nc(C2CC2)no1 ZINC000170837932 495622322 /nfs/dbraw/zinc/62/23/22/495622322.db2.gz GGFALCUIXQASCB-IRXDYDNUSA-N 1 0 371.485 3.246 10 0 FGAERO CC(C)Oc1cc(Br)ccc1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170855605 495629118 /nfs/dbraw/zinc/62/91/18/495629118.db2.gz TXBNHVAEYOWBDQ-CYBMUJFWSA-N 1 0 355.276 3.012 10 0 FGAERO C[NH+](C)[C@@H]1CCN(C(=O)c2c3c(sc2-n2cccc2)CSCC3)C1 ZINC000170857653 495630795 /nfs/dbraw/zinc/63/07/95/495630795.db2.gz PGIVLVHIRSTPLS-CYBMUJFWSA-N 1 0 361.536 3.104 10 0 FGAERO Cc1ccc([C@H](C[NH2+][C@@H](C)C(=O)Nc2ccccc2)N2CCOCC2)s1 ZINC000173645459 495630786 /nfs/dbraw/zinc/63/07/86/495630786.db2.gz RZRTYZVGWOTINR-WMZOPIPTSA-N 1 0 373.522 3.047 10 0 FGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccccc1OC(F)F ZINC000173644151 495630865 /nfs/dbraw/zinc/63/08/65/495630865.db2.gz YBIAETCVNYFURG-LSDHHAIUSA-N 1 0 353.413 3.056 10 0 FGAERO C[NH+](C)[C@@H]1CCN(C(=O)c2cccnc2SCc2ccc(F)cc2)C1 ZINC000170866080 495633300 /nfs/dbraw/zinc/63/33/00/495633300.db2.gz RNXKXVMMFQUDLJ-MRXNPFEDSA-N 1 0 359.470 3.289 10 0 FGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N(CCc1ccccc1)[C@H]1CCOC1 ZINC000176415289 495643350 /nfs/dbraw/zinc/64/33/50/495643350.db2.gz XOMDJGRFEAMBBO-PMACEKPBSA-N 1 0 361.530 3.006 10 0 FGAERO CC(C)(C)OC[C@H](O)CN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000159061084 495648137 /nfs/dbraw/zinc/64/81/37/495648137.db2.gz ODKOJOYNYFMOBP-NJDAHSKKSA-N 1 0 360.542 3.149 10 0 FGAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)CC23CC4CC(CC(C4)C2)C3)CC1 ZINC000176435997 495650111 /nfs/dbraw/zinc/65/01/11/495650111.db2.gz USTVDYNBHGDYIO-VXRQLKRISA-N 1 0 362.558 3.144 10 0 FGAERO CC(C)c1noc(CN(C)CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)n1 ZINC000170942048 495660484 /nfs/dbraw/zinc/66/04/84/495660484.db2.gz WTAMFCMOHLVZGW-LJQANCHMSA-N 1 0 372.513 3.070 10 0 FGAERO CC(C)c1noc(CN(C)CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1 ZINC000170942045 495660881 /nfs/dbraw/zinc/66/08/81/495660881.db2.gz WTAMFCMOHLVZGW-IBGZPJMESA-N 1 0 372.513 3.070 10 0 FGAERO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(OC(F)F)c(F)c2)C12CCOCC2 ZINC000185651049 495661628 /nfs/dbraw/zinc/66/16/28/495661628.db2.gz HLJKBKDYHMSSHE-JKSUJKDBSA-N 1 0 359.388 3.491 10 0 FGAERO Cc1cnn([C@@H]2CCC[N@H+](C[C@H](O)Cc3ccc(C(F)(F)F)cc3)C2)c1 ZINC000159118846 495662667 /nfs/dbraw/zinc/66/26/67/495662667.db2.gz PHXXEMUIIFDGMV-QZTJIDSGSA-N 1 0 367.415 3.451 10 0 FGAERO Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000182700556 495669635 /nfs/dbraw/zinc/66/96/35/495669635.db2.gz QUIVWUCGDQUAEM-MAUKXSAKSA-N 1 0 361.534 3.148 10 0 FGAERO Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000182710934 495672401 /nfs/dbraw/zinc/67/24/01/495672401.db2.gz QYUWEUCZPZZDFS-LBPRGKRZSA-N 1 0 351.422 3.173 10 0 FGAERO Cc1ccc([C@@H](CNC(=O)c2cc(C)ccc2F)N2CCOCC2)s1 ZINC000176559902 495698253 /nfs/dbraw/zinc/69/82/53/495698253.db2.gz ZVOMKVVAQXXWKY-QGZVFWFLSA-N 1 0 362.470 3.307 10 0 FGAERO C[C@@H](N(C)C(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)C1(C)CC1 ZINC000176563308 495699380 /nfs/dbraw/zinc/69/93/80/495699380.db2.gz QMYRJJUABRVMTN-YLJYHZDGSA-N 1 0 373.541 3.262 10 0 FGAERO CC(C)c1nccn1Cc1cccc(NC(=O)N2CC[C@H]([NH+](C)C)C2)c1 ZINC000171078406 495714364 /nfs/dbraw/zinc/71/43/64/495714364.db2.gz AYVJUKCCHPHRHQ-SFHVURJKSA-N 1 0 355.486 3.223 10 0 FGAERO Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000171082471 495716829 /nfs/dbraw/zinc/71/68/29/495716829.db2.gz DJTWVEAWMGSUEB-SJLPKXTDSA-N 1 0 372.513 3.177 10 0 FGAERO C[C@@H](CNC(=O)N1CCCC[C@H]1c1cn[nH]c1)[N@H+](C)Cc1ccccc1 ZINC000182826708 495718874 /nfs/dbraw/zinc/71/88/74/495718874.db2.gz GYDHBUAZSCGPFB-LPHOPBHVSA-N 1 0 355.486 3.167 10 0 FGAERO Cc1c([C@@H](C)[NH2+]C[C@H](O)COCc2ccco2)cnn1-c1ccc(F)cc1 ZINC000182880648 495740514 /nfs/dbraw/zinc/74/05/14/495740514.db2.gz ZGSJHJJDPANPRB-KDOFPFPSSA-N 1 0 373.428 3.141 10 0 FGAERO Clc1ccc(Cl)c(SCC[N@@H+]2CC[C@@H](N3CCOCC3)C2)c1 ZINC000173906052 495741530 /nfs/dbraw/zinc/74/15/30/495741530.db2.gz ZQYHXRNCNMRCME-CQSZACIVSA-N 1 0 361.338 3.492 10 0 FGAERO C[C@@H]1CCC[N@@H+]1C1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 ZINC000154929400 495775773 /nfs/dbraw/zinc/77/57/73/495775773.db2.gz SQECVTMGCOKYPW-OAHLLOKOSA-N 1 0 372.900 3.339 10 0 FGAERO Cc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2ccc(N3CCCC3=O)cc2)o1 ZINC000171235097 495781899 /nfs/dbraw/zinc/78/18/99/495781899.db2.gz JWNXBXQVRPXDJG-OAHLLOKOSA-N 1 0 355.438 3.394 10 0 FGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000173999188 495782125 /nfs/dbraw/zinc/78/21/25/495782125.db2.gz QPHHFOCLKSDDAC-FUHWJXTLSA-N 1 0 357.502 3.209 10 0 FGAERO COC(=O)C1CCC(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)CC1 ZINC000179918649 495783041 /nfs/dbraw/zinc/78/30/41/495783041.db2.gz GNXUESOHINJIPR-MHJFOBGBSA-N 1 0 372.509 3.228 10 0 FGAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)c2csc3c2CC[C@H](C)C3)CC1 ZINC000176878584 495823617 /nfs/dbraw/zinc/82/36/17/495823617.db2.gz VBPRZHMCEPDUAR-GJZGRUSLSA-N 1 0 364.555 3.038 10 0 FGAERO CC(C)Oc1cc(Br)cc(NC(=O)N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000174146110 495836747 /nfs/dbraw/zinc/83/67/47/495836747.db2.gz BPSHFHXTMBKXHG-CQSZACIVSA-N 1 0 370.291 3.404 10 0 FGAERO O[C@H](CO[C@@H]1CCCc2ccccc21)C[NH+]1CCC(Cn2cccn2)CC1 ZINC000155189008 495868380 /nfs/dbraw/zinc/86/83/80/495868380.db2.gz MZCZXQWGKXMFGY-RBBKRZOGSA-N 1 0 369.509 3.050 10 0 FGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CCc1nc(-c2ccc(F)c(C)c2)no1 ZINC000176990413 495873437 /nfs/dbraw/zinc/87/34/37/495873437.db2.gz BKLLUFJXIGJMJZ-MRXNPFEDSA-N 1 0 374.460 3.059 10 0 FGAERO CCSc1ccc([C@@H](C)NC(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000171441626 495875672 /nfs/dbraw/zinc/87/56/72/495875672.db2.gz NGBWSWJQQKTSPB-NVXWUHKLSA-N 1 0 365.543 3.006 10 0 FGAERO C[C@H](CNC(=O)N[C@@H](Cc1ccccc1)C(F)(F)F)C[NH+]1CCCC1 ZINC000151558741 495877255 /nfs/dbraw/zinc/87/72/55/495877255.db2.gz KHGHWFCFYGRXPH-ZBFHGGJFSA-N 1 0 357.420 3.191 10 0 FGAERO Cc1csc([C@H]2CCC[N@H+](CCC(=O)Nc3cc(N)ccc3F)C2)n1 ZINC000177032114 495891492 /nfs/dbraw/zinc/89/14/92/495891492.db2.gz WVWHICBTZIGDPP-ZDUSSCGKSA-N 1 0 362.474 3.381 10 0 FGAERO C[NH+](C)C[C@@H]1CN(C(=O)CCCc2cc(Cl)sc2Cl)CCO1 ZINC000155253263 495893143 /nfs/dbraw/zinc/89/31/43/495893143.db2.gz UYNGFYKRPQXTQP-GFCCVEGCSA-N 1 0 365.326 3.167 10 0 FGAERO C[C@@H]1Cc2ccccc2N1Cc1ccoc1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171480356 495894431 /nfs/dbraw/zinc/89/44/31/495894431.db2.gz RSGNIHWVSXYBPP-VQIMIIECSA-N 1 0 365.477 3.151 10 0 FGAERO CCCN(CCC)C(=O)c1cccc(C(=O)N[C@H]2CCC[N@H+](CC)C2)c1 ZINC000171479437 495894599 /nfs/dbraw/zinc/89/45/99/495894599.db2.gz ODFGGWDPKVUXOH-IBGZPJMESA-N 1 0 359.514 3.163 10 0 FGAERO O=C(Nc1ccc(Br)cc1F)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000171501925 495902048 /nfs/dbraw/zinc/90/20/48/495902048.db2.gz ZBELZVNXZCQVSM-GFCCVEGCSA-N 1 0 356.239 3.290 10 0 FGAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(NC(=O)C3CCC3)c2)C12CCOCC2 ZINC000186225100 495904684 /nfs/dbraw/zinc/90/46/84/495904684.db2.gz LLKBOBKXFVXTNP-WOJBJXKFSA-N 1 0 372.509 3.489 10 0 FGAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccnc(OC3CCCC3)c2)C12CCOCC2 ZINC000186241462 495910226 /nfs/dbraw/zinc/91/02/26/495910226.db2.gz HCVGLHZZNCIWDY-RTBURBONSA-N 1 0 360.498 3.467 10 0 FGAERO Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3ccc(F)c(Cl)c3)C2=O)n(C)n1 ZINC000174344233 495920248 /nfs/dbraw/zinc/92/02/48/495920248.db2.gz FUJZOPIOLCDYGR-LRDDRELGSA-N 1 0 364.852 3.367 10 0 FGAERO Cc1ccc(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c(Br)c1 ZINC000177095127 495923947 /nfs/dbraw/zinc/92/39/47/495923947.db2.gz KWTMOJKZYXWMEF-STQMWFEESA-N 1 0 352.276 3.458 10 0 FGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2c[nH]nc2-c2ccc(Cl)s2)C1 ZINC000186274841 495924140 /nfs/dbraw/zinc/92/41/40/495924140.db2.gz FNSLLTNMSKCHBT-PWSUYJOCSA-N 1 0 352.891 3.250 10 0 FGAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)C12CCOCC2 ZINC000186281725 495927269 /nfs/dbraw/zinc/92/72/69/495927269.db2.gz MIGHLPKQUGCTHB-KFKAGJAMSA-N 1 0 374.481 3.268 10 0 FGAERO C[NH+](C)CCCOC1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000177103557 495927991 /nfs/dbraw/zinc/92/79/91/495927991.db2.gz BDKMOJGVXSSPHL-IAGOWNOFSA-N 1 0 366.452 3.028 10 0 FGAERO CCO[C@@H]1C[C@H]([NH2+]C2CCN(c3ccccc3OC)CC2)C12CCOCC2 ZINC000186299756 495934846 /nfs/dbraw/zinc/93/48/46/495934846.db2.gz WSZYSGZYYIWXMH-LEWJYISDSA-N 1 0 374.525 3.228 10 0 FGAERO CCn1cnnc1C1CC[NH+]([C@@H](C)C(=O)N[C@H](C)c2ccccc2C)CC1 ZINC000155404539 495947619 /nfs/dbraw/zinc/94/76/19/495947619.db2.gz IMOKTMONURGNAL-SJORKVTESA-N 1 0 369.513 3.052 10 0 FGAERO CCO[C@@H]1C[C@@H]([NH2+]CCNc2ncc(Cl)cc2Cl)C12CCOCC2 ZINC000186355283 495962003 /nfs/dbraw/zinc/96/20/03/495962003.db2.gz AECLTNXNTJVPAQ-HUUCEWRRSA-N 1 0 374.312 3.364 10 0 FGAERO Cc1cccc(NC[C@@H]2CCN(CC(=O)Nc3cc(F)ccc3F)C2)[nH+]1 ZINC000171652912 495972109 /nfs/dbraw/zinc/97/21/09/495972109.db2.gz YFKZVGLVRRBPMD-AWEZNQCLSA-N 1 0 360.408 3.041 10 0 FGAERO COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)c1 ZINC000171663027 495978841 /nfs/dbraw/zinc/97/88/41/495978841.db2.gz OAUYISSOZPCHDO-DNVCBOLYSA-N 1 0 356.466 3.054 10 0 FGAERO COc1ccc(C[N@H+](C)C[C@H](O)COCc2ccc(Cl)cc2)cc1O ZINC000177219457 495983281 /nfs/dbraw/zinc/98/32/81/495983281.db2.gz HWVOPTFWPQIHJO-KRWDZBQOSA-N 1 0 365.857 3.064 10 0 FGAERO COCc1cc(CNC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)ccc1F ZINC000171679778 495985814 /nfs/dbraw/zinc/98/58/14/495985814.db2.gz VWKMZELEFSCCJW-IBGZPJMESA-N 1 0 359.445 3.074 10 0 FGAERO CCN1CC[NH+](C[C@H](C)CNC(=O)[C@@H]2C[C@@H]2c2ccc(C(C)C)cc2)CC1 ZINC000151925389 495993567 /nfs/dbraw/zinc/99/35/67/495993567.db2.gz NOKFDEZCZDMYHK-STZQEDGTSA-N 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Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000177363910 496032411 /nfs/dbraw/zinc/03/24/11/496032411.db2.gz XZMSDLHFAVQDBE-MRXNPFEDSA-N 1 0 361.486 3.252 10 0 FGAERO CCc1nc(C)c([C@@H](C)[NH2+]C[C@H]2CCCN2c2cc(NC)ncn2)s1 ZINC000180565187 496046384 /nfs/dbraw/zinc/04/63/84/496046384.db2.gz HRJKPIOZUOHVND-TZMCWYRMSA-N 1 0 360.531 3.165 10 0 FGAERO O=C(Nc1cccc(C[S@](=O)Cc2ccccc2)c1)[C@@H]1CCCC[NH2+]1 ZINC000160845929 496053137 /nfs/dbraw/zinc/05/31/37/496053137.db2.gz ZNCIIOLBNXGLBN-DFBJGRDBSA-N 1 0 356.491 3.216 10 0 FGAERO CCCCCNC(=O)N(C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000177429728 496059471 /nfs/dbraw/zinc/05/94/71/496059471.db2.gz POWRUCCZYSDDKC-HXUWFJFHSA-N 1 0 361.530 3.264 10 0 FGAERO CC[C@@H](Sc1ccccc1)C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000177446142 496064954 /nfs/dbraw/zinc/06/49/54/496064954.db2.gz JUOYLTDJXIRFFO-QFBILLFUSA-N 1 0 364.555 3.109 10 0 FGAERO Fc1cccc(C[C@H]([NH2+][C@@H]2CCc3ncnn3C2)c2cccc(F)c2)c1 ZINC000180606682 496065093 /nfs/dbraw/zinc/06/50/93/496065093.db2.gz TWRDILLEEJTVKX-MOPGFXCFSA-N 1 0 354.404 3.445 10 0 FGAERO CC(C)Sc1ccccc1C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000177449265 496065890 /nfs/dbraw/zinc/06/58/90/496065890.db2.gz RZYKKYZZGCPSRL-INIZCTEOSA-N 1 0 364.555 3.352 10 0 FGAERO COc1ccc(NC(=O)CC[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)cc1 ZINC000174704463 496069912 /nfs/dbraw/zinc/06/99/12/496069912.db2.gz CJNSPHNHOJJHSJ-AWEZNQCLSA-N 1 0 356.422 3.146 10 0 FGAERO O=C(c1cccc2ncccc21)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000186609935 496071220 /nfs/dbraw/zinc/07/12/20/496071220.db2.gz ZIFPBYDYFAPOAP-GOSISDBHSA-N 1 0 360.461 3.414 10 0 FGAERO CN(CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)C(=O)c1ccccc1F ZINC000177469905 496074022 /nfs/dbraw/zinc/07/40/22/496074022.db2.gz ROLMVUVGBTZEMH-OAQYLSRUSA-N 1 0 370.468 3.343 10 0 FGAERO CC(C)c1nccn1Cc1cccc(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000171890304 496078304 /nfs/dbraw/zinc/07/83/04/496078304.db2.gz NWTCIPKXBHOMRP-IBGZPJMESA-N 1 0 367.497 3.367 10 0 FGAERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(N3CCCC3=O)cc1)CC2 ZINC000180637951 496079787 /nfs/dbraw/zinc/07/97/87/496079787.db2.gz VZGWQDYOMZYVHM-DOTOQJQBSA-N 1 0 367.497 3.194 10 0 FGAERO Cc1ccc(CNC(=O)C[NH2+][C@H](C)c2cccc(-n3ccnc3)c2)cc1F ZINC000180647974 496085531 /nfs/dbraw/zinc/08/55/31/496085531.db2.gz ZRZJXWPQQHHVOI-MRXNPFEDSA-N 1 0 366.440 3.287 10 0 FGAERO CCC[NH+]1CCC(CNC(=O)N2CCC[C@H]2c2csc(C)n2)CC1 ZINC000186709209 496116043 /nfs/dbraw/zinc/11/60/43/496116043.db2.gz UEKOMCUTQGLFAU-KRWDZBQOSA-N 1 0 350.532 3.420 10 0 FGAERO CCc1nccn1[C@H]1CCCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000152387562 496135136 /nfs/dbraw/zinc/13/51/36/496135136.db2.gz UTEICLDIGQURIP-KRWDZBQOSA-N 1 0 361.534 3.055 10 0 FGAERO CSc1ccc(C(=O)NCC2CC[NH+](C[C@H](O)c3ccccc3)CC2)o1 ZINC000174858147 496136473 /nfs/dbraw/zinc/13/64/73/496136473.db2.gz HAYSHPFDPGLTSS-KRWDZBQOSA-N 1 0 374.506 3.177 10 0 FGAERO Fc1cc(C[NH2+][C@H]2CCCN(c3cccnn3)C2)ccc1Br ZINC000177708492 496167043 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ZINC000153080702 496346766 /nfs/dbraw/zinc/34/67/66/496346766.db2.gz OKPBTUQDGYIJNW-DYESRHJHSA-N 1 0 372.557 3.292 10 0 FGAERO COCCOc1ccc(NC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)cc1F ZINC000162515070 496366058 /nfs/dbraw/zinc/36/60/58/496366058.db2.gz ITSQABKOCZWJQD-MRXNPFEDSA-N 1 0 367.465 3.093 10 0 FGAERO CC[N@@H+]1CCC[C@@H](NC(=O)C(CC)(CC)c2ccc(OC)c(OC)c2)C1 ZINC000184407082 496371092 /nfs/dbraw/zinc/37/10/92/496371092.db2.gz ZEWBQVUYRXZFDE-QGZVFWFLSA-N 1 0 362.514 3.362 10 0 FGAERO Cc1csc([C@@H]2CCCN(Cc3nnnn3-c3c(C)cccc3C)C2)n1 ZINC000156984811 496378451 /nfs/dbraw/zinc/37/84/51/496378451.db2.gz QMBOOLYADWIRPB-MRXNPFEDSA-N 1 0 368.510 3.424 10 0 FGAERO O=C(Nc1ccc(Cl)cc1Br)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178276667 496396670 /nfs/dbraw/zinc/39/66/70/496396670.db2.gz SWIMHVHYSPBSAF-LLVKDONJSA-N 1 0 358.667 3.414 10 0 FGAERO Cc1nccn1C[C@H]1CCC[N@H+]1CC(=O)N[C@@H](C)c1ccccc1Cl ZINC000178293324 496401216 /nfs/dbraw/zinc/40/12/16/496401216.db2.gz DSHZLKBPQOLGHV-GOEBONIOSA-N 1 0 360.889 3.187 10 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/nfs/dbraw/zinc/49/39/11/496493911.db2.gz PUXMNGFIMALEKT-SFHVURJKSA-N 1 0 360.498 3.113 10 0 FGAERO CCC[C@@H](NC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1)c1ccccc1 ZINC000184725093 496508628 /nfs/dbraw/zinc/50/86/28/496508628.db2.gz ZLDWFDWTDYMFGA-FXAWDEMLSA-N 1 0 361.530 3.262 10 0 FGAERO COc1cc(C[NH+]2CCC(Nc3cccnn3)CC2)ccc1OC(F)F ZINC000178607545 496514376 /nfs/dbraw/zinc/51/43/76/496514376.db2.gz NUVCBFDSJNTWBK-UHFFFAOYSA-N 1 0 364.396 3.163 10 0 FGAERO C[C@@H]([NH3+])CCNC(=O)c1ccc(Oc2ccc(Br)cc2)nc1 ZINC000178615218 496516534 /nfs/dbraw/zinc/51/65/34/496516534.db2.gz ZJFDOZUBRATCTK-LLVKDONJSA-N 1 0 364.243 3.104 10 0 FGAERO O=C(CN1CC[N@@H+]2CCC[C@@H]2C1)Nc1ccccc1Oc1ccccc1 ZINC000178626689 496520765 /nfs/dbraw/zinc/52/07/65/496520765.db2.gz AKPSLVWTUIUGOC-QGZVFWFLSA-N 1 0 351.450 3.197 10 0 FGAERO COc1ccc(NC(=O)[C@H](c2ccccc2)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000178634993 496523680 /nfs/dbraw/zinc/52/36/80/496523680.db2.gz WIBXYHDBSUUPBR-CTNGQTDRSA-N 1 0 365.477 3.155 10 0 FGAERO O=C(CN1CC[N@@H+]2CCC[C@@H]2C1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000178632693 496524179 /nfs/dbraw/zinc/52/41/79/496524179.db2.gz GASAVWWHJQTBPF-LLVKDONJSA-N 1 0 362.688 3.365 10 0 FGAERO COC(=O)c1ccsc1N1CC[C@@H]([NH2+][C@@H](C)c2cccs2)C1=O ZINC000173194073 496588209 /nfs/dbraw/zinc/58/82/09/496588209.db2.gz SBHPGNRZQZRBEX-CMPLNLGQSA-N 1 0 350.465 3.052 10 0 FGAERO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2cc(C(=O)OC)ccc2Cl)C1 ZINC000181908996 496594530 /nfs/dbraw/zinc/59/45/30/496594530.db2.gz QSJLAMJJEGNMQU-CQSZACIVSA-N 1 0 362.861 3.118 10 0 FGAERO COc1cc(C)c([C@H](C)NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1OC ZINC000157964235 496596252 /nfs/dbraw/zinc/59/62/52/496596252.db2.gz YVEYFXDLHDRWQW-ZOBUZTSGSA-N 1 0 363.502 3.101 10 0 FGAERO Cc1cc(Cl)c(NC(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1Cl ZINC000153837236 496596309 /nfs/dbraw/zinc/59/63/09/496596309.db2.gz KLXKGPNHQGSFJC-LBPRGKRZSA-N 1 0 360.285 3.270 10 0 FGAERO CCCCC1CCC(NC(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)CC1 ZINC000184960556 496600696 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Cc1nn(C)c(C)c1CN1CC[NH+]([C@H]2CCCc3ccc(F)cc32)CC1 ZINC000132615529 494899685 /nfs/dbraw/zinc/89/96/85/494899685.db2.gz OCBRPPZVOKHGKP-NRFANRHFSA-N 1 0 356.489 3.371 10 0 FGAERO O=C1CCCN1C[C@@H](O)C[N@@H+]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000117431821 494918696 /nfs/dbraw/zinc/91/86/96/494918696.db2.gz FRHNVJRASYBPOK-ROUUACIJSA-N 1 0 350.890 3.240 10 0 FGAERO CC[C@H](C)Oc1ccc(NC(=O)N2CC[N@H+](CCOC)[C@H](CC)C2)cc1 ZINC000117449080 494920784 /nfs/dbraw/zinc/92/07/84/494920784.db2.gz FUVJQZIGLWFNFQ-FUHWJXTLSA-N 1 0 363.502 3.438 10 0 FGAERO CC[C@H]1CN(C(=O)Nc2ccc(OC(C)C)cc2F)CC[N@@H+]1CCOC ZINC000117451678 494921908 /nfs/dbraw/zinc/92/19/08/494921908.db2.gz VXHCAPOYHASKID-HNNXBMFYSA-N 1 0 367.465 3.187 10 0 FGAERO O=C(N[C@H]1CCC[C@H]1OCc1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000132954950 494947330 /nfs/dbraw/zinc/94/73/30/494947330.db2.gz FVKWPUJSZHDSIP-VQTJNVASSA-N 1 0 357.498 3.050 10 0 FGAERO C[C@@H](O)C[N@@H+]1CCN(CCSc2cc(Cl)ccc2Cl)C[C@H]1C ZINC000117879940 494960886 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COc1ccc(C(=O)CCC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)cc1 ZINC000128487555 495103860 /nfs/dbraw/zinc/10/38/60/495103860.db2.gz AAZXMLXKUGQKQM-IBGZPJMESA-N 1 0 354.450 3.077 10 0 FGAERO Cc1nccn1-c1ccc([C@H](C)NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC000123277273 495107979 /nfs/dbraw/zinc/10/79/79/495107979.db2.gz YUQKFSCVXFBJTK-TWOQFEAHSA-N 1 0 367.497 3.120 10 0 FGAERO CCCOc1ccc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)cc1OCC ZINC000128517925 495109725 /nfs/dbraw/zinc/10/97/25/495109725.db2.gz CYYDDBQEJXWJJQ-GOSISDBHSA-N 1 0 358.486 3.378 10 0 FGAERO O=C(Nc1cc(Br)ccc1F)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000111772279 495109757 /nfs/dbraw/zinc/10/97/57/495109757.db2.gz RXYSCFXETWEHDJ-GFCCVEGCSA-N 1 0 356.239 3.290 10 0 FGAERO Clc1ccc(-n2cc(C[N@@H+]3CCC[C@@H](Cn4cncn4)C3)cn2)cc1 ZINC000128620448 495125462 /nfs/dbraw/zinc/12/54/62/495125462.db2.gz KPQNPJNRAJSCFU-OAHLLOKOSA-N 1 0 356.861 3.029 10 0 FGAERO CCOc1ccc([C@H](CC)[NH2+]C[C@H](C)N2CCOCC2)cc1OCC ZINC000123510418 495143765 /nfs/dbraw/zinc/14/37/65/495143765.db2.gz MTOJWVNZHPIMTN-WMZOPIPTSA-N 1 0 350.503 3.245 10 0 FGAERO Cc1cnn(CC[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)c1 ZINC000112374190 495181662 /nfs/dbraw/zinc/18/16/62/495181662.db2.gz FWHFEUOOCOLJTG-UHFFFAOYSA-N 1 0 360.259 3.134 10 0 FGAERO CCCC(=O)Nc1ccc(CNC(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc1 ZINC000119526429 495183306 /nfs/dbraw/zinc/18/33/06/495183306.db2.gz LJNSJSTWDDJPQN-SFHVURJKSA-N 1 0 362.518 3.201 10 0 FGAERO COC[C@H](C)C(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000103362623 495224565 /nfs/dbraw/zinc/22/45/65/495224565.db2.gz KUVFWVLRGXLMLT-AWEZNQCLSA-N 1 0 358.404 3.022 10 0 FGAERO CCOCC[N@@H+]1CCN(C(=O)Nc2ccc(SC)cc2)C[C@@H]1CC ZINC000119796277 495242972 /nfs/dbraw/zinc/24/29/72/495242972.db2.gz CZNMFFXUPJORKV-INIZCTEOSA-N 1 0 351.516 3.373 10 0 FGAERO CCC1CCC(NC(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)CC1 ZINC000124398592 495281113 /nfs/dbraw/zinc/28/11/13/495281113.db2.gz ADVHQBZNESPUNF-UHFFFAOYSA-N 1 0 371.525 3.348 10 0 FGAERO CC(C)c1c(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cnn1-c1ccc(F)cc1 ZINC000113222788 495285068 /nfs/dbraw/zinc/28/50/68/495285068.db2.gz WJPUSPODTZTUNB-CRAIPNDOSA-N 1 0 370.472 3.444 10 0 FGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccccc1NC(=O)c1cccs1 ZINC000113227703 495286351 /nfs/dbraw/zinc/28/63/51/495286351.db2.gz LBDBSLLZGLXRNQ-HUUCEWRRSA-N 1 0 369.490 3.309 10 0 FGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccccc1NC(=O)c1ccsc1 ZINC000113231839 495286876 /nfs/dbraw/zinc/28/68/76/495286876.db2.gz OCNYGGURTNYPFP-GDBMZVCRSA-N 1 0 369.490 3.309 10 0 FGAERO CCC[C@H](C(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1)[NH+](C)C ZINC000124436394 495287071 /nfs/dbraw/zinc/28/70/71/495287071.db2.gz YPRSCOJZQYLXCG-GVDBMIGSSA-N 1 0 355.885 3.071 10 0 FGAERO COc1ccc2cc(CNC(=O)N3C[C@H]4CCC[N@@H+]4C[C@@H]3C)ccc2c1 ZINC000113367130 495299868 /nfs/dbraw/zinc/29/98/68/495299868.db2.gz HCCNIZKQQYZTIK-HNAYVOBHSA-N 1 0 353.466 3.227 10 0 FGAERO CC(C)CC(=O)Nc1ccc(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000104990375 495322478 /nfs/dbraw/zinc/32/24/78/495322478.db2.gz SQXZFSYALZVFCV-GOSISDBHSA-N 1 0 358.486 3.373 10 0 FGAERO COCCOc1ccc(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1Cl ZINC000105013765 495326584 /nfs/dbraw/zinc/32/65/84/495326584.db2.gz XNUURYUIYZSBLV-HNNXBMFYSA-N 1 0 367.877 3.067 10 0 FGAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc(Oc3nccc(C)n3)cc2)C1 ZINC000124772160 495340739 /nfs/dbraw/zinc/34/07/39/495340739.db2.gz AWPNINDPCSLKBX-INIZCTEOSA-N 1 0 355.442 3.183 10 0 FGAERO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+][C@@H](CC(C)C)CN(C)C)cc1 ZINC000120347740 495357875 /nfs/dbraw/zinc/35/78/75/495357875.db2.gz ZUXZSZVLYSFIHM-QAPCUYQASA-N 1 0 355.548 3.075 10 0 FGAERO Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000114588425 495396046 /nfs/dbraw/zinc/39/60/46/495396046.db2.gz ZTDHZHRALNGCCN-LJQANCHMSA-N 1 0 369.513 3.145 10 0 FGAERO CCC[NH+]1CCC(CNC(=O)N2CCC[C@H]2c2c(C)nn(C)c2C)CC1 ZINC000114593404 495396667 /nfs/dbraw/zinc/39/66/67/495396667.db2.gz PJNVSWXEHQRCLU-SFHVURJKSA-N 1 0 361.534 3.005 10 0 FGAERO Cc1ccc(N2CCC[N@H+](CCCOc3cccc(Cl)c3)CC2)nn1 ZINC000106071891 495409168 /nfs/dbraw/zinc/40/91/68/495409168.db2.gz FUSMMAIESOZARR-UHFFFAOYSA-N 1 0 360.889 3.420 10 0 FGAERO CN1CCO[C@H](CNC(=O)CCCCc2ccc(Cl)c(Cl)c2)C1 ZINC000120583777 495410971 /nfs/dbraw/zinc/41/09/71/495410971.db2.gz NVVSRHDNXOJOFA-CQSZACIVSA-N 1 0 359.297 3.153 10 0 FGAERO CCCOc1ccc(OCC[NH+]2CCC(Nc3cccnn3)CC2)cc1 ZINC000106082765 495411824 /nfs/dbraw/zinc/41/18/24/495411824.db2.gz KNWLUBSECFSKIT-UHFFFAOYSA-N 1 0 356.470 3.221 10 0 FGAERO CC[C@@H]1CN(Cc2csc(-c3ccsc3)n2)CC[N@@H+]1C[C@@H](C)O ZINC000106101571 495414410 /nfs/dbraw/zinc/41/44/10/495414410.db2.gz YHKGBEAPHDXBBG-CZUORRHYSA-N 1 0 351.541 3.149 10 0 FGAERO CC[C@H]1CN(CC(=O)Nc2c(C)cccc2C(C)C)CC[N@@H+]1CCOC ZINC000106115794 495415288 /nfs/dbraw/zinc/41/52/88/495415288.db2.gz OGDSWLDDTOTBHM-SFHVURJKSA-N 1 0 361.530 3.100 10 0 FGAERO CCOCC[N@@H+]1CCN(CC(=O)Nc2cccc(C(C)C)c2)C[C@@H]1CC ZINC000106117740 495416011 /nfs/dbraw/zinc/41/60/11/495416011.db2.gz RYTYHUHZHGDIER-FQEVSTJZSA-N 1 0 361.530 3.181 10 0 FGAERO CC(C)Oc1ccccc1C[N@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000106128521 495418466 /nfs/dbraw/zinc/41/84/66/495418466.db2.gz KGILWORBMHYUQH-UHFFFAOYSA-N 1 0 356.514 3.267 10 0 FGAERO CCC[C@@H](C(=O)N(C)CCCc1cc(-c2ccccc2)n(C)n1)[NH+](C)C ZINC000137047735 495419622 /nfs/dbraw/zinc/41/96/22/495419622.db2.gz JMBQYACETBTAHO-IBGZPJMESA-N 1 0 356.514 3.208 10 0 FGAERO Cn1cc(CN2CCC[N@H+](CCCOc3cccc(Cl)c3)CC2)cn1 ZINC000106154612 495420785 /nfs/dbraw/zinc/42/07/85/495420785.db2.gz RSCHLXQMZAFKKL-UHFFFAOYSA-N 1 0 362.905 3.050 10 0 FGAERO CC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)cc1 ZINC000120628515 495421854 /nfs/dbraw/zinc/42/18/54/495421854.db2.gz VQGALKVSICHVFC-KBPBESRZSA-N 1 0 368.433 3.338 10 0 FGAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](c1nc(C2CC2)no1)C(C)C ZINC000125305579 495423509 /nfs/dbraw/zinc/42/35/09/495423509.db2.gz GTNUQBBSPPHLFH-HZPDHXFCSA-N 1 0 363.506 3.064 10 0 FGAERO C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[NH+]1CCC(Cn2cccn2)CC1 ZINC000106183353 495426357 /nfs/dbraw/zinc/42/63/57/495426357.db2.gz OGHAGABFUWGDHH-ZWKOTPCHSA-N 1 0 366.509 3.352 10 0 FGAERO C[C@@H](C(=O)N1CCC[C@@H]1c1cccs1)[NH+]1CCC(Cn2cccn2)CC1 ZINC000106183334 495426377 /nfs/dbraw/zinc/42/63/77/495426377.db2.gz GSVXYAFXHCEUFU-FUHWJXTLSA-N 1 0 372.538 3.409 10 0 FGAERO C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[NH+]1CCC(Cn2cccn2)CC1 ZINC000106183341 495426722 /nfs/dbraw/zinc/42/67/22/495426722.db2.gz GSVXYAFXHCEUFU-AEFFLSMTSA-N 1 0 372.538 3.409 10 0 FGAERO CC(=O)c1ccc(NC(=O)CC[N@H+]2CCC[C@@H]2c2c(C)nn(C)c2C)cc1 ZINC000106207983 495430308 /nfs/dbraw/zinc/43/03/08/495430308.db2.gz MLSCRQGVVGDDCO-LJQANCHMSA-N 1 0 368.481 3.405 10 0 FGAERO CCc1nccn1[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)cc2)C1 ZINC000106214302 495433102 /nfs/dbraw/zinc/43/31/02/495433102.db2.gz WEFKVPLFCYYUBW-IRXDYDNUSA-N 1 0 363.889 3.176 10 0 FGAERO CCc1nccn1[C@H]1CCC[N@H+](CCCOc2ccc3c(c2)OCO3)C1 ZINC000106212494 495433159 /nfs/dbraw/zinc/43/31/59/495433159.db2.gz OOYWJJGILBEEBY-INIZCTEOSA-N 1 0 357.454 3.280 10 0 FGAERO Cc1cnn([C@@H]2CCC[N@H+](CC(=O)N(Cc3ccccc3)C3CC3)C2)c1 ZINC000106220194 495436428 /nfs/dbraw/zinc/43/64/28/495436428.db2.gz PVLPMYCFQIUPAN-HXUWFJFHSA-N 1 0 352.482 3.020 10 0 FGAERO Cc1cnn([C@H]2CCC[N@H+](C[C@@H](O)COc3c(C)ccc(C)c3C)C2)c1 ZINC000106219986 495436615 /nfs/dbraw/zinc/43/66/15/495436615.db2.gz IBDNAAHCLTVNIU-VQTJNVASSA-N 1 0 357.498 3.194 10 0 FGAERO C[NH+](C)C[C@H](NC(=O)Nc1cc2c(cc1F)NC(=O)CC2)c1ccccc1 ZINC000120695941 495437359 /nfs/dbraw/zinc/43/73/59/495437359.db2.gz LKBKHVDFTPAQCG-SFHVURJKSA-N 1 0 370.428 3.135 10 0 FGAERO O=C(NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1)c1ccc(F)cc1F ZINC000115158166 495469803 /nfs/dbraw/zinc/46/98/03/495469803.db2.gz DRLFFGLLABDTCB-FQEVSTJZSA-N 1 0 374.431 3.140 10 0 FGAERO CCn1cc(C2CCN(C(=O)Nc3cccc(C[NH+](C)C)c3)CC2)cn1 ZINC000120900870 495481653 /nfs/dbraw/zinc/48/16/53/495481653.db2.gz NOWXDBUJVPTCKS-UHFFFAOYSA-N 1 0 355.486 3.376 10 0 FGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(Cl)cc(Br)c1 ZINC000131107782 495492938 /nfs/dbraw/zinc/49/29/38/495492938.db2.gz OWJFRNCNDLJYSW-QMTHXVAHSA-N 1 0 357.679 3.411 10 0 FGAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1OC(F)(F)F ZINC000106903065 495508731 /nfs/dbraw/zinc/50/87/31/495508731.db2.gz HNSBQJLQPOAGJV-INIZCTEOSA-N 1 0 366.383 3.374 10 0 FGAERO CCS(=O)(=O)c1ccc([C@@H]([NH2+]C[C@H]2CCCN2C)c2ccccc2)cc1 ZINC000142007995 495512563 /nfs/dbraw/zinc/51/25/63/495512563.db2.gz BPOMHMYXSZARSO-CTNGQTDRSA-N 1 0 372.534 3.253 10 0 FGAERO CC(C)c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000107073960 495521890 /nfs/dbraw/zinc/52/18/90/495521890.db2.gz DNJUXQCFPVZTJU-RTBURBONSA-N 1 0 369.509 3.379 10 0 FGAERO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCC[C@H](c3nc(C)cs3)C2)C1 ZINC000173443598 495531706 /nfs/dbraw/zinc/53/17/06/495531706.db2.gz SRKYHIWCVVYGKS-HOTGVXAUSA-N 1 0 350.532 3.072 10 0 FGAERO Cc1csc([C@H]2CCCN(C(=O)NCCC3CC[NH+](C)CC3)C2)n1 ZINC000173492386 495556196 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CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1cccc(-n2nc(C)cc2C)c1 ZINC000176307460 495590005 /nfs/dbraw/zinc/59/00/05/495590005.db2.gz XOTRLPJLBBTNKU-LJQANCHMSA-N 1 0 355.486 3.437 10 0 FGAERO Cc1cc(C[NH2+][C@@H]2CCCN(c3cccnn3)C2)ccc1Br ZINC000173569355 495592350 /nfs/dbraw/zinc/59/23/50/495592350.db2.gz FVDCCKCNTWMYDY-OAHLLOKOSA-N 1 0 361.287 3.306 10 0 FGAERO COCCn1ccc2ccc(NC(=O)N[C@H]3C[N@@H+](C(C)C)C[C@@H]3C)cc21 ZINC000179447439 495594982 /nfs/dbraw/zinc/59/49/82/495594982.db2.gz JXFCIMHJYAUTRW-YJBOKZPZSA-N 1 0 358.486 3.138 10 0 FGAERO CC[C@H](C)NC(=O)c1ccc(NC(=O)N(C)C[C@H]2CCC[N@@H+]2CC)cc1 ZINC000176319897 495597300 /nfs/dbraw/zinc/59/73/00/495597300.db2.gz MNEXFWAPZNZZBL-MAUKXSAKSA-N 1 0 360.502 3.163 10 0 FGAERO C[NH+](C)[C@H]1CCN(C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)C1 ZINC000170827235 495617415 /nfs/dbraw/zinc/61/74/15/495617415.db2.gz VQMOGCQSIBITLO-KRWDZBQOSA-N 1 0 357.429 3.464 10 0 FGAERO C[NH+](C)[C@@H]1CCN(C(=O)NCCc2ccc(OCc3ccccc3)cc2)C1 ZINC000170831620 495619559 /nfs/dbraw/zinc/61/95/59/495619559.db2.gz WGXRKGCCVJLEDM-HXUWFJFHSA-N 1 0 367.493 3.154 10 0 FGAERO C[NH+](C)[C@H]1CCN(C(=O)NCC2(c3c(F)cccc3F)CCCC2)C1 ZINC000170835741 495621188 /nfs/dbraw/zinc/62/11/88/495621188.db2.gz CTBBYXNHUAMKER-AWEZNQCLSA-N 1 0 351.441 3.122 10 0 FGAERO CN(Cc1cccc(Cl)c1F)C1CC[NH+](CCn2cccn2)CC1 ZINC000179519534 495626933 /nfs/dbraw/zinc/62/69/33/495626933.db2.gz DCLIGBJEEGCPQZ-UHFFFAOYSA-N 1 0 350.869 3.272 10 0 FGAERO C[NH+](C)[C@H]1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccs2)C1 ZINC000170859006 495630423 /nfs/dbraw/zinc/63/04/23/495630423.db2.gz CGDKTUSCFOLIFR-INIZCTEOSA-N 1 0 366.490 3.377 10 0 FGAERO CCCOc1c(Cl)cc(C(=O)N2CC[C@@H]([NH+](C)C)C2)cc1OCC ZINC000170860801 495630935 /nfs/dbraw/zinc/63/09/35/495630935.db2.gz UISGLENJBPNECD-CQSZACIVSA-N 1 0 354.878 3.304 10 0 FGAERO Cc1ccc(-n2ncc(C(=O)N3CC[C@@H]([NH+](C)C)C3)c2C2CC2)cc1Cl ZINC000170866979 495632963 /nfs/dbraw/zinc/63/29/63/495632963.db2.gz ZWELEVCVVPUWAY-MRXNPFEDSA-N 1 0 372.900 3.488 10 0 FGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C2(c3ccc(Br)cc3)CC2)C1 ZINC000158998888 495634239 /nfs/dbraw/zinc/63/42/39/495634239.db2.gz JYFBSCXXJXGCFI-CJNGLKHVSA-N 1 0 365.315 3.326 10 0 FGAERO Cc1nc(C)n(C[C@H]2CCC[N@H+](CCOc3ccc(F)cc3Cl)C2)n1 ZINC000179609013 495659059 /nfs/dbraw/zinc/65/90/59/495659059.db2.gz VWUNMCWZNCMZKE-HNNXBMFYSA-N 1 0 366.868 3.478 10 0 FGAERO C[C@@H](NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000173724360 495665254 /nfs/dbraw/zinc/66/52/54/495665254.db2.gz LQTHCQYVASBXPH-UKRRQHHQSA-N 1 0 369.387 3.302 10 0 FGAERO CCO[C@@H]1C[C@H]([NH2+]Cc2c[nH]nc2-c2cccc(C)c2)C12CCOCC2 ZINC000185669081 495671324 /nfs/dbraw/zinc/67/13/24/495671324.db2.gz BVUCIZRERTVALW-RBUKOAKNSA-N 1 0 355.482 3.449 10 0 FGAERO CC(C)n1ncc2cc(C[NH2+]C3CCC(O)(c4cccnc4)CC3)cnc21 ZINC000185694309 495683947 /nfs/dbraw/zinc/68/39/47/495683947.db2.gz OVOXCFLFJJXMEK-UHFFFAOYSA-N 1 0 365.481 3.327 10 0 FGAERO CCOCC[N@@H+]1CCN(C(=O)NCc2ccc(C(F)F)cc2)C[C@H]1CC ZINC000185704926 495688925 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COc1ccc(Cl)cc1CN(C)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000176844732 495808402 /nfs/dbraw/zinc/80/84/02/495808402.db2.gz BHYVRUQVSZRASO-CJNGLKHVSA-N 1 0 353.894 3.219 10 0 FGAERO CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NCCC1CC[NH+](CC)CC1 ZINC000174129532 495831491 /nfs/dbraw/zinc/83/14/91/495831491.db2.gz SFLKOXRBKJTTFB-YLJYHZDGSA-N 1 0 373.541 3.069 10 0 FGAERO Cn1c(CN2CCC(C[N@H+](C)Cc3ccccc3)CC2)nnc1C1CC1 ZINC000171384339 495848730 /nfs/dbraw/zinc/84/87/30/495848730.db2.gz DLVOZXUAXKAONK-UHFFFAOYSA-N 1 0 353.514 3.037 10 0 FGAERO C[NH+]1CCC(N[C@H](c2ccc(Br)cc2)c2cncnc2)CC1 ZINC000186089073 495850627 /nfs/dbraw/zinc/85/06/27/495850627.db2.gz SOPNUZNMLOJECF-QGZVFWFLSA-N 1 0 361.287 3.012 10 0 FGAERO Cc1ccc([C@H]([NH2+]CC2(C(N)=O)CCOCC2)c2ccccc2)c(C)c1 ZINC000180099883 495858017 /nfs/dbraw/zinc/85/80/17/495858017.db2.gz AWWOTKZKTJWUNP-HXUWFJFHSA-N 1 0 352.478 3.265 10 0 FGAERO C[NH+](C)C[C@@H](NC(=O)c1cnc(-c2ccccn2)s1)c1ccccc1 ZINC000171405087 495858317 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/nfs/dbraw/zinc/92/56/62/495925662.db2.gz SQAXYZZUDNUELO-CVEARBPZSA-N 1 0 359.437 3.260 10 0 FGAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)C12CCOCC2 ZINC000186281422 495926084 /nfs/dbraw/zinc/92/60/84/495926084.db2.gz COOIKQLMLXEJIR-PWIZWCRZSA-N 1 0 372.509 3.438 10 0 FGAERO C[NH+](C)C[C@@H]1CN(Cc2csc(Cc3ccc(Cl)cc3)n2)CCO1 ZINC000155369298 495936321 /nfs/dbraw/zinc/93/63/21/495936321.db2.gz URDLLTTUTRKOSU-QGZVFWFLSA-N 1 0 365.930 3.150 10 0 FGAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(OCCOC)cc2)C12CCOCC2 ZINC000186302298 495936413 /nfs/dbraw/zinc/93/64/13/495936413.db2.gz FNEVZSLCNAEREW-FFZOFVMBSA-N 1 0 363.498 3.337 10 0 FGAERO CCn1cc(C2CCN([C@@H]3CCCN(c4ccccc4F)C3=O)CC2)cn1 ZINC000155379418 495939579 /nfs/dbraw/zinc/93/95/79/495939579.db2.gz OCNMWRYREGLULL-HXUWFJFHSA-N 1 0 370.472 3.417 10 0 FGAERO CCO[C@@H]1C[C@@H]([NH2+]C2CCC(c3nc(CC)no3)CC2)C12CCOCC2 ZINC000186307933 495940336 /nfs/dbraw/zinc/94/03/36/495940336.db2.gz HIHFKFBAVRWFSX-BHUNQDJPSA-N 1 0 363.502 3.222 10 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FGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCc1csc(C(C)C)n1 ZINC000174600024 496027642 /nfs/dbraw/zinc/02/76/42/496027642.db2.gz CIUJGQUVMRTOTR-HZPDHXFCSA-N 1 0 350.532 3.077 10 0 FGAERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@@H](C)c1ccc(N3CCCC3=O)cc1)CC2 ZINC000180523018 496031471 /nfs/dbraw/zinc/03/14/71/496031471.db2.gz QXTITLDSUMATMM-RDJZCZTQSA-N 1 0 367.497 3.194 10 0 FGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1cccc(OCC(F)(F)F)c1 ZINC000177368063 496033807 /nfs/dbraw/zinc/03/38/07/496033807.db2.gz PSIHEQFTHRHFBL-OAHLLOKOSA-N 1 0 373.419 3.253 10 0 FGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1ccc(OC2CCCC2)nc1 ZINC000177374236 496036951 /nfs/dbraw/zinc/03/69/51/496036951.db2.gz FEJGVYMOAFJHDD-QGZVFWFLSA-N 1 0 360.502 3.029 10 0 FGAERO CCC1(CNC(=O)N2CCCN(Cc3csc(C)n3)CC2)CCC1 ZINC000177386430 496041336 /nfs/dbraw/zinc/04/13/36/496041336.db2.gz BGKBDMDQGHFKJQ-UHFFFAOYSA-N 1 0 350.532 3.249 10 0 FGAERO COc1ccc(-c2noc([C@H](C)[N@@H+]3CC[C@H](c4cnn(C)c4)C3)n2)cc1 ZINC000152094833 496046106 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CCN(CC)C(=O)[C@H](c1ccccc1)[NH+]1CCC(c2nncn2CC)CC1 ZINC000152187617 496074714 /nfs/dbraw/zinc/07/47/14/496074714.db2.gz MABNUHKRXWOKEK-IBGZPJMESA-N 1 0 369.513 3.087 10 0 FGAERO CCCC[NH+]1CCC(NC(=O)N2CCC[C@@H]2c2noc(C(C)C)n2)CC1 ZINC000177474573 496077077 /nfs/dbraw/zinc/07/70/77/496077077.db2.gz HZUHKWYNRIAQEC-MRXNPFEDSA-N 1 0 363.506 3.304 10 0 FGAERO CCCN(CCC)C(=O)c1ccc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000171890417 496077494 /nfs/dbraw/zinc/07/74/94/496077494.db2.gz GTBXJOYHSWQIIJ-LJQANCHMSA-N 1 0 372.513 3.261 10 0 FGAERO CC(C)(C)OC(=O)Nc1ccc(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000171894860 496080995 /nfs/dbraw/zinc/08/09/95/496080995.db2.gz FHUGIKCRLJFQHY-INIZCTEOSA-N 1 0 360.458 3.346 10 0 FGAERO C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2ccccc2Cc2ccccc2)C[C@@H]1C ZINC000177507125 496090223 /nfs/dbraw/zinc/09/02/23/496090223.db2.gz RUHBXPVJRIOEJL-ZWKOTPCHSA-N 1 0 367.493 3.196 10 0 FGAERO COc1cccc(NC(=O)CC[N@@H+]2CCC[C@@H]2c2c(C)nn(C)c2C)c1 ZINC000174785550 496105242 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CCC[C@H](C(=O)NCC1(c2ccccc2Cl)CCOCC1)[NH+](C)C ZINC000162032240 496283783 /nfs/dbraw/zinc/28/37/83/496283783.db2.gz JDMNUCMXAHSWBV-QGZVFWFLSA-N 1 0 352.906 3.235 10 0 FGAERO Fc1ccc(C[NH2+][C@@H]2CCCN(c3cccnn3)C2)c(C(F)(F)F)c1 ZINC000156582996 496285253 /nfs/dbraw/zinc/28/52/53/496285253.db2.gz OZRNATMAFLGXCF-CQSZACIVSA-N 1 0 354.351 3.393 10 0 FGAERO CCC[C@@H](C(=O)Nc1ccc(Oc2cccc(C(N)=O)c2)cc1)[NH+](C)C ZINC000162080399 496292267 /nfs/dbraw/zinc/29/22/67/496292267.db2.gz VZLVUASSXJZZMG-SFHVURJKSA-N 1 0 355.438 3.247 10 0 FGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cccc(CSc2nccn2C)c1 ZINC000156623147 496295389 /nfs/dbraw/zinc/29/53/89/496295389.db2.gz ALMNTEZUPUSOQQ-GOSISDBHSA-N 1 0 374.554 3.419 10 0 FGAERO CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000162094136 496296000 /nfs/dbraw/zinc/29/60/00/496296000.db2.gz CHURPRYETJIMEJ-BZUAXINKSA-N 1 0 353.304 3.384 10 0 FGAERO CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000162094368 496296023 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O=C(Nc1cccc(COCCOc2ccccc2)c1)[C@H]1CCC[NH2+]C1 ZINC000153710860 496553794 /nfs/dbraw/zinc/55/37/94/496553794.db2.gz CDQKXHYPEZWZBU-SFHVURJKSA-N 1 0 354.450 3.220 10 0 FGAERO CSc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000178749954 496560118 /nfs/dbraw/zinc/56/01/18/496560118.db2.gz CXMDGNTVROPQBI-INIZCTEOSA-N 1 0 358.511 3.407 10 0 FGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(F)c(NC(=O)OC)c1 ZINC000181836289 496566538 /nfs/dbraw/zinc/56/65/38/496566538.db2.gz WCUIWXCAUMYVNV-ZIAGYGMSSA-N 1 0 364.421 3.095 10 0 FGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N(CCO)[C@H]1CCCc2ccccc21 ZINC000175865706 496579409 /nfs/dbraw/zinc/57/94/09/496579409.db2.gz IYVUREOBXAFFGK-QUCCMNQESA-N 1 0 361.530 3.044 10 0 FGAERO CC1CC[NH+](CCN2CCN(Cc3nc(-c4ccccc4)co3)CC2)CC1 ZINC000153820220 496590817 /nfs/dbraw/zinc/59/08/17/496590817.db2.gz QULLTWGZIWQFLT-UHFFFAOYSA-N 1 0 368.525 3.191 10 0 FGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccccc1-c1nncn1CC ZINC000181909595 496596542 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CCCC[NH2+][C@@H]1CCc2c(c(C(=O)N(C)C)nn2CC2CCCCC2)C1 ZINC000014540767 220125589 /nfs/dbraw/zinc/12/55/89/220125589.db2.gz NDSZUILGJGNKJD-QGZVFWFLSA-N 1 0 360.546 3.412 10 0 FGAERO CCn1nc(C(=O)N(C)Cc2ccco2)c2c1CC[C@@H]([NH+]1CCCCC1)C2 ZINC000014540142 220126112 /nfs/dbraw/zinc/12/61/12/220126112.db2.gz HOVZUMMHLOZMJA-MRXNPFEDSA-N 1 0 370.497 3.111 10 0 FGAERO CCCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H]([NH+]1CCCCCC1)C2 ZINC000014755138 220131801 /nfs/dbraw/zinc/13/18/01/220131801.db2.gz DANWCDVKZFCSRQ-QGZVFWFLSA-N 1 0 358.530 3.262 10 0 FGAERO COC(=O)c1ccc(C[NH2+][C@@H]2CCCc3c2cnn3-c2ccccn2)cc1 ZINC000015071009 220145446 /nfs/dbraw/zinc/14/54/46/220145446.db2.gz HFEFOKKZTGJRAM-GOSISDBHSA-N 1 0 362.433 3.221 10 0 FGAERO CCN1CCC([N@@H+]2CC[C@@]3(C2)CCCN(Cc2cccc(C)c2)C3=O)CC1 ZINC000020207155 220318476 /nfs/dbraw/zinc/31/84/76/220318476.db2.gz CTRPDSVIASVSBL-HSZRJFAPSA-N 1 0 369.553 3.294 10 0 FGAERO Cc1ccc(-c2cc(-c3nc(-c4c(C)ncc5c4CC[NH2+]C5)no3)n[nH]2)o1 ZINC000020537312 220333236 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C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)c2cccc3ncccc32)C1 ZINC000190576787 257369170 /nfs/dbraw/zinc/36/91/70/257369170.db2.gz JLUCTDMPCHGOMC-SFHVURJKSA-N 1 0 360.461 3.224 10 0 FGAERO [NH3+]C1(COCc2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc32)CC1 ZINC000038279188 136118736 /nfs/dbraw/zinc/11/87/36/136118736.db2.gz UFBYOZWKWYKBBZ-UHFFFAOYSA-N 1 0 371.872 3.126 10 0 FGAERO CCCS(=O)(=O)N1CCC2(C[C@H]([NH+]3CCCC3)c3ccccc32)CC1 ZINC000096079205 222015263 /nfs/dbraw/zinc/01/52/63/222015263.db2.gz NDANEMGBSTWULS-IBGZPJMESA-N 1 0 362.539 3.301 10 0 FGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1c(F)cc(Br)cc1F ZINC000094716008 494957053 /nfs/dbraw/zinc/95/70/53/494957053.db2.gz WYOGXEFZIBHZRH-NSHDSACASA-N 1 0 363.246 3.433 10 0 FGAERO O[C@H](COCc1ccc(Cl)cc1)C[NH+]1CCC(C(F)(F)F)CC1 ZINC000075969446 493803076 /nfs/dbraw/zinc/80/30/76/493803076.db2.gz GWZYJSJELIPHAY-HNNXBMFYSA-N 1 0 351.796 3.492 10 0 FGAERO C[NH+](C)C[C@H](NC(=O)NC[C@@H]1CCN(c2ccccc2)C1)c1ccccc1 ZINC000048216752 493803497 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CC[NH+]1CCN(CCCNC(=O)[C@@H]2C[C@H]2c2ccc(C(C)C)cc2)CC1 ZINC000076958329 493996962 /nfs/dbraw/zinc/99/69/62/493996962.db2.gz AIOAVGKHAGHVPW-LEWJYISDSA-N 1 0 357.542 3.057 10 0 FGAERO O[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000051998543 493997696 /nfs/dbraw/zinc/99/76/96/493997696.db2.gz YTIHEZRXVLFMMQ-VXGBXAGGSA-N 1 0 350.203 3.444 10 0 FGAERO COc1ccc(CC[NH+]2[C@H](C)CN(c3ccccn3)C[C@H]2C)cc1OC ZINC000033638964 494062049 /nfs/dbraw/zinc/06/20/49/494062049.db2.gz IDNTZDUJFHUKQQ-IAGOWNOFSA-N 1 0 355.482 3.241 10 0 FGAERO COc1cccc(CN2CCC[C@@]3(CC[N@@H+](C4CCSCC4)C3)C2=O)c1 ZINC000012111940 494204258 /nfs/dbraw/zinc/20/42/58/494204258.db2.gz HUCCYMALVVGFIJ-NRFANRHFSA-N 1 0 374.550 3.405 10 0 FGAERO CCN1CC[NH+](CCCCNC(=O)N[C@@H](C)c2cccc(Cl)c2)CC1 ZINC000043183204 494276188 /nfs/dbraw/zinc/27/61/88/494276188.db2.gz ZMVFRJDSCLXVKE-INIZCTEOSA-N 1 0 366.937 3.118 10 0 FGAERO C[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NC(C)(C)C)c1cccc(Br)c1 ZINC000078352421 494285301 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CC[NH+](CC)[C@@H](C)CNC(=O)NCCc1coc(-c2ccc(F)cc2)n1 ZINC000102553537 495141491 /nfs/dbraw/zinc/14/14/91/495141491.db2.gz IDSUAGBUCNVVTP-AWEZNQCLSA-N 1 0 362.449 3.053 10 0 FGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2cc(Br)ccc2F)C1 ZINC000123572917 495154091 /nfs/dbraw/zinc/15/40/91/495154091.db2.gz JYPYUCFXMDHILC-YGRLFVJLSA-N 1 0 358.255 3.438 10 0 FGAERO O=C(C[C@H]1CCC[N@@H+]1Cc1cc(=O)n2ccccc2n1)c1ccc(F)cc1 ZINC000134829292 495207778 /nfs/dbraw/zinc/20/77/78/495207778.db2.gz IDRKKMMUAZIIQE-GOSISDBHSA-N 1 0 365.408 3.071 10 0 FGAERO Cc1cnn(CC[NH2+][C@H]2CCCOc3c(Br)cccc32)c1 ZINC000123927731 495208246 /nfs/dbraw/zinc/20/82/46/495208246.db2.gz WCGGDTHTSNQVPP-HNNXBMFYSA-N 1 0 350.260 3.458 10 0 FGAERO COC(=O)c1ccc(NC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)cc1C ZINC000103244352 495209018 /nfs/dbraw/zinc/20/90/18/495209018.db2.gz IUAYUGCWGHWWOW-SFHVURJKSA-N 1 0 355.438 3.206 10 0 FGAERO CCOCC[N@@H+]1CCN(C(=O)Nc2ccccc2N2CCCC2)C[C@@H]1CC ZINC000119770469 495237325 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369.440 3.240 10 0 FGAERO Cc1cc(N2CCC[C@@H]([NH2+]CC3CCC(C(F)(F)F)CC3)C2=O)n(C)n1 ZINC000183723827 496094309 /nfs/dbraw/zinc/09/43/09/496094309.db2.gz RCXNBTPZDKEZQW-YMAMQOFZSA-N 1 0 372.435 3.182 10 0 FGAERO CC[N@@H+]1CCC[C@H](NC(=O)C2(c3cc(F)cc(C(F)(F)F)c3)CC2)C1 ZINC000186673851 496101206 /nfs/dbraw/zinc/10/12/06/496101206.db2.gz VDDFTDZWYOPCDB-HNNXBMFYSA-N 1 0 358.379 3.477 10 0 FGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@@H](C)c1cccc(-n2cccn2)c1 ZINC000177562224 496113908 /nfs/dbraw/zinc/11/39/08/496113908.db2.gz FQUQJHMFJFFPNP-LPHOPBHVSA-N 1 0 355.486 3.059 10 0 FGAERO CC(C)c1nc2c(n1C)CCN(C(=O)C[C@@H](C)C(=O)c1cccc(F)c1)C2 ZINC000174817144 496119992 /nfs/dbraw/zinc/11/99/92/496119992.db2.gz GVPMJJOQNZWEAP-CQSZACIVSA-N 1 0 371.456 3.476 10 0 FGAERO CN1C(=O)CC[C@H](C(=O)Nc2cccc(C[NH+](C)C)c2)[C@H]1c1ccccc1 ZINC000171990604 496121155 /nfs/dbraw/zinc/12/11/55/496121155.db2.gz XENKBQYSWCFGIB-PZJWPPBQSA-N 1 0 365.477 3.296 10 0 FGAERO OC[C@H]1CCCC[C@H]1[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 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3.249 10 0 FGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc2c(cccc2OC(F)F)[nH]1 ZINC000174992615 496198597 /nfs/dbraw/zinc/19/85/97/496198597.db2.gz QMHZAKHYLVIROU-CHWSQXEVSA-N 1 0 363.408 3.468 10 0 FGAERO CCOCC[N@@H+]1CCN(Cc2nc(C(F)(F)F)cs2)C[C@@H]1CC ZINC000152614754 496204003 /nfs/dbraw/zinc/20/40/03/496204003.db2.gz PMJQIZMAVMUVTE-LBPRGKRZSA-N 1 0 351.438 3.095 10 0 FGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(N2CCC(C)CC2)nc1 ZINC000175011182 496205865 /nfs/dbraw/zinc/20/58/65/496205865.db2.gz XBNDUABHZJCDHB-RTBURBONSA-N 1 0 356.514 3.017 10 0 FGAERO Cc1cccc(NC[C@H]2CC[N@@H+](Cc3ccc4c(c3)CCC(=O)N4C)C2)n1 ZINC000186928532 496215464 /nfs/dbraw/zinc/21/54/64/496215464.db2.gz FPYFOWMUUZVXHY-GOSISDBHSA-N 1 0 364.493 3.233 10 0 FGAERO COC(=O)[C@@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3F)nc2)C1 ZINC000186929926 496216773 /nfs/dbraw/zinc/21/67/73/496216773.db2.gz SSBRANJWAVYOTB-MRXNPFEDSA-N 1 0 358.413 3.185 10 0 FGAERO CCC[C@@H](C(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1)[NH+](C)C ZINC000161775906 496236113 /nfs/dbraw/zinc/23/61/13/496236113.db2.gz XTYOBPVKNCIVJD-JKSUJKDBSA-N 1 0 369.303 3.079 10 0 FGAERO Cc1ccc([C@H]([NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)c2ccccc2)c(C)c1 ZINC000181007479 496238783 /nfs/dbraw/zinc/23/87/83/496238783.db2.gz TZMQBVLSDCFSGX-WIYYLYMNSA-N 1 0 372.534 3.264 10 0 FGAERO COCCCOc1ccc(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)cc1 ZINC000175119351 496255196 /nfs/dbraw/zinc/25/51/96/496255196.db2.gz OMKGCFOCDKOWDP-FQEVSTJZSA-N 1 0 356.466 3.135 10 0 FGAERO CCC[C@@H](C(=O)N1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1)[NH+](C)C ZINC000161946541 496268117 /nfs/dbraw/zinc/26/81/17/496268117.db2.gz MEHTWAQUASZNTM-HKUYNNGSSA-N 1 0 374.529 3.085 10 0 FGAERO Cc1nc([C@@H]2CCCN2C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)cs1 ZINC000187076213 496281573 /nfs/dbraw/zinc/28/15/73/496281573.db2.gz ALLTWJUGFODNPD-YOEHRIQHSA-N 1 0 350.532 3.418 10 0 FGAERO Cn1nccc1C1CC[NH+](C[C@H](O)c2ccccc2Br)CC1 ZINC000152880870 496284210 /nfs/dbraw/zinc/28/42/10/496284210.db2.gz DWNYSYHPVOFRSD-KRWDZBQOSA-N 1 0 364.287 3.096 10 0 FGAERO CCO[C@@H]1C[C@@H](N(C)C(=O)NC2CC[NH+](C(C)C)CC2)C12CCCC2 ZINC000152893847 496288553 /nfs/dbraw/zinc/28/85/53/496288553.db2.gz MNIGTPUVPGHWAX-QZTJIDSGSA-N 1 0 351.535 3.238 10 0 FGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)Cc1cccc(OCC(F)(F)F)c1 ZINC000162122507 496299564 /nfs/dbraw/zinc/29/95/64/496299564.db2.gz WNDWXUWXDCHDLQ-OAHLLOKOSA-N 1 0 360.420 3.263 10 0 FGAERO C[C@@H](NC(=O)NC1CC[NH+](CC2CC2)CC1)c1cccc(-n2ccnc2)c1 ZINC000175232550 496300912 /nfs/dbraw/zinc/30/09/12/496300912.db2.gz ZUQFUBDKJCXQBL-MRXNPFEDSA-N 1 0 367.497 3.107 10 0 FGAERO CCCOc1ccc(NC(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000181289215 496341243 /nfs/dbraw/zinc/34/12/43/496341243.db2.gz MZTWHRUDYWCKGJ-INIZCTEOSA-N 1 0 363.502 3.032 10 0 FGAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)C[C@@H](C)c2ccc(F)cc2F)CC1 ZINC000162365515 496344461 /nfs/dbraw/zinc/34/44/61/496344461.db2.gz JVLQYDGOZRIBIM-HUUCEWRRSA-N 1 0 368.468 3.010 10 0 FGAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2c(SC)cnn2-c2ccccc2)C1 ZINC000178188886 496362640 /nfs/dbraw/zinc/36/26/40/496362640.db2.gz TVKJUPRMYNWHPN-CQSZACIVSA-N 1 0 359.499 3.200 10 0 FGAERO C[C@@H]1CC[C@@H](NC(=O)N2CCC(C[NH+]3CCOCC3)CC2)c2ccccc21 ZINC000153164945 496372086 /nfs/dbraw/zinc/37/20/86/496372086.db2.gz GDHWMYCEJMORNK-DYESRHJHSA-N 1 0 371.525 3.379 10 0 FGAERO COc1cccc2[nH]cc(CC(=O)N[C@@H](C)C[N@H+](C)Cc3ccccc3)c21 ZINC000181385139 496374895 /nfs/dbraw/zinc/37/48/95/496374895.db2.gz ZIYCFNAHXFPSDI-INIZCTEOSA-N 1 0 365.477 3.356 10 0 FGAERO Cc1nccn1C[C@H]1CCC[N@@H+]1CCCc1nc(-c2ccccc2)no1 ZINC000178298152 496404182 /nfs/dbraw/zinc/40/41/82/496404182.db2.gz PNCMPTOSGIPHHB-GOSISDBHSA-N 1 0 351.454 3.339 10 0 FGAERO Cc1nccn1C[C@@H]1CCC[N@H+]1CC(=O)N(C)[C@@H]1CCCc2ccccc21 ZINC000178314503 496409415 /nfs/dbraw/zinc/40/94/15/496409415.db2.gz QZCUXYPNNBVWIX-PZJWPPBQSA-N 1 0 366.509 3.192 10 0 FGAERO Cc1cn(-c2ccccc2Cl)nc1C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000162811661 496416560 /nfs/dbraw/zinc/41/65/60/496416560.db2.gz CLGKGSIWIHLNNA-GJZGRUSLSA-N 1 0 358.873 3.143 10 0 FGAERO COc1c(C[NH2+]C[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)c(C)nn1C ZINC000184530280 496425499 /nfs/dbraw/zinc/42/54/99/496425499.db2.gz VWYSFNLDEGDEMD-INIZCTEOSA-N 1 0 370.419 3.148 10 0 FGAERO C[N@H+](C[C@H](O)COC(c1ccccc1)c1ccccc1)C[C@@H]1CCOC1 ZINC000178355737 496426368 /nfs/dbraw/zinc/42/63/68/496426368.db2.gz SPHHRFPXMUKLRN-RXVVDRJESA-N 1 0 355.478 3.122 10 0 FGAERO C[NH+](C)[C@@H]1CCN(C(=O)NCC2(c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000187452542 496447183 /nfs/dbraw/zinc/44/71/83/496447183.db2.gz KJFSPLNAGHTDKY-OAHLLOKOSA-N 1 0 355.404 3.083 10 0 FGAERO Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000153462879 496462956 /nfs/dbraw/zinc/46/29/56/496462956.db2.gz JSFRDVLPFANMHS-DNVCBOLYSA-N 1 0 356.514 3.297 10 0 FGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000184615213 496464276 /nfs/dbraw/zinc/46/42/76/496464276.db2.gz XSUFEMWEXOWFHQ-SUMWQHHRSA-N 1 0 371.884 3.292 10 0 FGAERO CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)[NH2+][C@H](C)c1cccs1 ZINC000172871144 496468676 /nfs/dbraw/zinc/46/86/76/496468676.db2.gz IKPOIKGEGONHLK-CABCVRRESA-N 1 0 373.522 3.447 10 0 FGAERO CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@H]1Cn1ccnc1C)CC(C)C ZINC000175700545 496505850 /nfs/dbraw/zinc/50/58/50/496505850.db2.gz GKROMFBDKUCYGE-OALUTQOASA-N 1 0 363.550 3.122 10 0 FGAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)NCc2ccc3ccccc3c2)CC1 ZINC000181711335 496513538 /nfs/dbraw/zinc/51/35/38/496513538.db2.gz JWVSVHADUQOWKY-QGZVFWFLSA-N 1 0 369.509 3.074 10 0 FGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cc(NC(C)=O)ccc1Cl ZINC000181747205 496527080 /nfs/dbraw/zinc/52/70/80/496527080.db2.gz IMXFHHAVMSVVHL-LSDHHAIUSA-N 1 0 364.877 3.389 10 0 FGAERO CCC[C@H](C(=O)NCc1cccc(Cn2cnc3ccccc32)c1)[NH+](C)C ZINC000178658386 496531626 /nfs/dbraw/zinc/53/16/26/496531626.db2.gz PVQSNRSIGFXGEJ-OAQYLSRUSA-N 1 0 364.493 3.431 10 0 FGAERO CC[N@@H+]1CCC[C@H](NC(=O)c2sc(C)c(Br)c2OC)C1 ZINC000173089134 496544330 /nfs/dbraw/zinc/54/43/30/496544330.db2.gz OPZTXFXWVUWVNW-JTQLQIEISA-N 1 0 361.305 3.042 10 0 FGAERO Cc1cnn([C@@H]2CCCN(C(=O)c3oc4ccccc4c3C[NH+](C)C)C2)c1 ZINC000173157622 496574001 /nfs/dbraw/zinc/57/40/01/496574001.db2.gz BVFRASANTRDBDD-MRXNPFEDSA-N 1 0 366.465 3.477 10 0 FGAERO CC[C@@H]1CN(C(=O)Nc2ccc(Cl)cc2Cl)CC[N@@H+]1C[C@@H](C)O ZINC000173269395 496618721 /nfs/dbraw/zinc/61/87/21/496618721.db2.gz WTKNYNIYDYVKNY-DGCLKSJQSA-N 1 0 360.285 3.302 10 0 FGAERO CC(C)C[C@H](CN(C)C)[NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1 ZINC000187953967 496630806 /nfs/dbraw/zinc/63/08/06/496630806.db2.gz NGCVLKXYGZYLGF-LXPRWKDFSA-N 1 0 371.525 3.160 10 0 FGAERO CC(C)C1CCC(CNC(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)CC1 ZINC000182019581 496638246 /nfs/dbraw/zinc/63/82/46/496638246.db2.gz MYLKTGGPAOXESO-ZJRDLVKKSA-N 1 0 367.578 3.183 10 0 FGAERO CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@@H]1Cn1ccnc1C)c1ccco1 ZINC000176012908 496643241 /nfs/dbraw/zinc/64/32/41/496643241.db2.gz PPIZYUYPJMNJKH-QZTJIDSGSA-N 1 0 373.501 3.042 10 0 FGAERO O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000176037989 496654390 /nfs/dbraw/zinc/65/43/90/496654390.db2.gz SNNZCLKGABCBRV-FCHUYYIVSA-N 1 0 370.537 3.476 10 0 FGAERO CCc1ccc([C@H](C)NC(=O)C(=O)Nc2cc(C[NH+](C)C)ccc2C)cc1 ZINC000176040411 496656096 /nfs/dbraw/zinc/65/60/96/496656096.db2.gz ZOKKCULEVIVMKL-INIZCTEOSA-N 1 0 367.493 3.435 10 0 FGAERO O[C@@H](C[NH2+][C@@H]1CCCOc2cc(F)ccc21)COc1ccc(F)c(F)c1 ZINC000182067460 496657005 /nfs/dbraw/zinc/65/70/05/496657005.db2.gz WLFOZRZJCXEYLQ-SCLBCKFNSA-N 1 0 367.367 3.347 10 0 FGAERO COc1ccccc1C[C@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)C(C)C ZINC000166632337 496690798 /nfs/dbraw/zinc/69/07/98/496690798.db2.gz IONQLAYICWJFNK-QUCCMNQESA-N 1 0 356.514 3.254 10 0 FGAERO CC(C)N(C(=O)C[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1)c1ccccc1 ZINC000188135416 496696984 /nfs/dbraw/zinc/69/69/84/496696984.db2.gz JTZRJURUKBLAFF-HKUYNNGSSA-N 1 0 358.507 3.197 10 0 FGAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H]1CCCSc3ccc(OC)cc31)CC2 ZINC000188183481 496711283 /nfs/dbraw/zinc/71/12/83/496711283.db2.gz QTYTYUGCTNBKAU-BBRMVZONSA-N 1 0 358.511 3.381 10 0 FGAERO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)C1 ZINC000247040755 496760088 /nfs/dbraw/zinc/76/00/88/496760088.db2.gz OCPPFOBSMQSBKN-NYUBLWNDSA-N 1 0 365.562 3.080 10 0 FGAERO CCCC[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)CC1 ZINC000194953400 496772639 /nfs/dbraw/zinc/77/26/39/496772639.db2.gz KICJUIXTIOIGDZ-HNNXBMFYSA-N 1 0 361.486 3.083 10 0 FGAERO FC(F)(F)c1cccc(CCCC[N@@H+]2CC[C@H](N3CCOCC3)C2)c1 ZINC000194993142 496784230 /nfs/dbraw/zinc/78/42/30/496784230.db2.gz ZKUMZGKMXNREJY-SFHVURJKSA-N 1 0 356.432 3.435 10 0 FGAERO C[C@@H](O)CN1CC[N@H+](CCCCc2cccc(C(F)(F)F)c2)C[C@@H]1C ZINC000195010759 496789548 /nfs/dbraw/zinc/78/95/48/496789548.db2.gz LGCQPWNISACLNC-JKSUJKDBSA-N 1 0 358.448 3.415 10 0 FGAERO Cc1nccn1C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)N1CCCc2ccccc21 ZINC000247140309 496791898 /nfs/dbraw/zinc/79/18/98/496791898.db2.gz SVAGTLKWCNRXDG-APWZRJJASA-N 1 0 352.482 3.024 10 0 FGAERO CC[C@@H]1COCC[N@@H+]1C[C@@H](O)COC(c1ccccc1)c1ccccc1 ZINC000247211178 496806058 /nfs/dbraw/zinc/80/60/58/496806058.db2.gz MIWDCIZWLVHWDI-NHCUHLMSSA-N 1 0 355.478 3.264 10 0 FGAERO CCC1=C(C(=O)NCC2CC[NH+](C[C@H](O)c3ccccc3)CC2)CCCO1 ZINC000188498708 496811106 /nfs/dbraw/zinc/81/11/06/496811106.db2.gz WAHDRTRQNDGSDN-FQEVSTJZSA-N 1 0 372.509 3.023 10 0 FGAERO Cc1ncsc1CN(C)C[C@H]1CC[N@H+](C[C@H](O)c2ccc(F)cc2)C1 ZINC000195250874 496861753 /nfs/dbraw/zinc/86/17/53/496861753.db2.gz LOLVMIHJNRBZRA-QAPCUYQASA-N 1 0 363.502 3.078 10 0 FGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000247469569 496866009 /nfs/dbraw/zinc/86/60/09/496866009.db2.gz RNHLWAAJQGBQEH-DYVFJYSZSA-N 1 0 359.857 3.233 10 0 FGAERO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H](C)NC(=O)Nc2ccccc2)C1 ZINC000247478534 496867663 /nfs/dbraw/zinc/86/76/63/496867663.db2.gz FGDZGXBIDGBYFW-DLBZAZTESA-N 1 0 374.529 3.213 10 0 FGAERO Cc1ncsc1CN(C)C[C@@H]1CC[N@H+](C[C@](C)(O)c2ccccc2)C1 ZINC000195266063 496869134 /nfs/dbraw/zinc/86/91/34/496869134.db2.gz AWNRCBSFGCJXOZ-PXNSSMCTSA-N 1 0 359.539 3.113 10 0 FGAERO COc1c(C)cnc(CN2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)c1C ZINC000195280178 496873590 /nfs/dbraw/zinc/87/35/90/496873590.db2.gz VKMMWLYOTACLRU-IBGZPJMESA-N 1 0 354.498 3.056 10 0 FGAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCc2ccnc(Oc3ccc(F)cc3)c2)C1 ZINC000195280711 496873964 /nfs/dbraw/zinc/87/39/64/496873964.db2.gz XNFVPEUKZLMTEJ-QGZVFWFLSA-N 1 0 372.444 3.297 10 0 FGAERO CC[N@H+](C[C@H](O)CN1CCCC1=O)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000247508521 496875373 /nfs/dbraw/zinc/87/53/73/496875373.db2.gz OZZZRNRZDFPJJO-CJNGLKHVSA-N 1 0 358.404 3.072 10 0 FGAERO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195286144 496875835 /nfs/dbraw/zinc/87/58/35/496875835.db2.gz VGMOBADGRKBINC-RCLSDMTESA-N 1 0 372.557 3.013 10 0 FGAERO Cc1nn(-c2ccc(C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)cc2)c(C)c1Cl ZINC000195314463 496885388 /nfs/dbraw/zinc/88/53/88/496885388.db2.gz AKTDHUDKAYCMHA-QGZVFWFLSA-N 1 0 358.873 3.063 10 0 FGAERO CSc1cnn(-c2ccccc2)c1NC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000247550851 496885624 /nfs/dbraw/zinc/88/56/24/496885624.db2.gz QWMGKRLVLMFJIB-GOEBONIOSA-N 1 0 373.526 3.444 10 0 FGAERO Cc1csc([C@H]2CCC[N@H+](Cc3cc(=O)n4cc(Cl)ccc4n3)C2)n1 ZINC000195329400 496891438 /nfs/dbraw/zinc/89/14/38/496891438.db2.gz AYLMLOHGADLGRY-ZDUSSCGKSA-N 1 0 374.897 3.492 10 0 FGAERO O=C(c1csc(-c2ccc(Cl)s2)n1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195337948 496894452 /nfs/dbraw/zinc/89/44/52/496894452.db2.gz KTGNJXRGEULGKO-SNVBAGLBSA-N 1 0 353.900 3.445 10 0 FGAERO Cc1cnn([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)N(C)Cc3ccccc3C)C2)c1 ZINC000247601658 496895056 /nfs/dbraw/zinc/89/50/56/496895056.db2.gz LBTCIQASNWVRQC-AZUAARDMSA-N 1 0 354.498 3.184 10 0 FGAERO COc1ccc([C@H](C)C[NH2+][C@@H]2CCN(Cc3ccc(C)cc3)C2=O)cc1 ZINC000191810689 496899007 /nfs/dbraw/zinc/89/90/07/496899007.db2.gz BOWAHYPBFGOZGR-DYESRHJHSA-N 1 0 352.478 3.498 10 0 FGAERO CC[C@H]1CN(C(=O)Nc2ccccc2C(F)(F)F)CC[N@@H+]1C[C@H](C)O ZINC000247704009 496909000 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CCN(C(=O)C[NH+]1CCC(c2cc[nH]n2)CC1)[C@H](C)c1ccc(F)cc1 ZINC000195507330 496944142 /nfs/dbraw/zinc/94/41/42/496944142.db2.gz SQKPTIODUYSUSB-OAHLLOKOSA-N 1 0 358.461 3.338 10 0 FGAERO C/C=C/c1ccc(OC[C@@H](O)C[NH+]2CCC(c3cc[nH]n3)CC2)c(OC)c1 ZINC000195507107 496945245 /nfs/dbraw/zinc/94/52/45/496945245.db2.gz ULIQAOJGQJMVDP-WHLIDYPQSA-N 1 0 371.481 3.071 10 0 FGAERO O=C1[C@H]([NH+]2CCC(c3cc[nH]n3)CC2)CCCN1Cc1ccc(F)cc1F ZINC000188994910 496971936 /nfs/dbraw/zinc/97/19/36/496971936.db2.gz MHWZSDPKDFEHEN-LJQANCHMSA-N 1 0 374.435 3.059 10 0 FGAERO O=C1[C@@H]([NH+]2CCC(c3cc[nH]n3)CC2)CCCN1Cc1ccc(F)cc1F ZINC000188994888 496972062 /nfs/dbraw/zinc/97/20/62/496972062.db2.gz MHWZSDPKDFEHEN-IBGZPJMESA-N 1 0 374.435 3.059 10 0 FGAERO CCOc1ccccc1[C@H](CC)NC(=O)C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000248215790 496972818 /nfs/dbraw/zinc/97/28/18/496972818.db2.gz ZPRXEPGNHFHBAH-LZNRXBQRSA-N 1 0 374.525 3.280 10 0 FGAERO CCOC(=O)C[C@H]([NH3+])c1cc(Br)cc(Br)c1 ZINC000215285814 496978438 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FGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cc1nc(-c2ccc(F)cc2)cs1 ZINC000248488974 497024493 /nfs/dbraw/zinc/02/44/93/497024493.db2.gz MTECKASYBQJLCT-BBRMVZONSA-N 1 0 359.470 3.187 10 0 FGAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)N[C@H]2CC[C@H](C)c3ccccc32)CC1 ZINC000248491235 497025994 /nfs/dbraw/zinc/02/59/94/497025994.db2.gz NUJMDFKITYAXAF-FIKGOQFSSA-N 1 0 373.541 3.359 10 0 FGAERO C[C@@H]1C[C@H](C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)CC(C)(C)C1 ZINC000248536976 497032726 /nfs/dbraw/zinc/03/27/26/497032726.db2.gz HCIPQHLQTAMSMV-SFDMMAKQSA-N 1 0 361.574 3.218 10 0 FGAERO C[N@H+](CCN1CCCC[C@H]1c1nnc2n1CCCC2)Cc1ccc(F)cc1 ZINC000248563343 497041088 /nfs/dbraw/zinc/04/10/88/497041088.db2.gz NVINHCYMKQIWBH-IBGZPJMESA-N 1 0 371.504 3.413 10 0 FGAERO CC[N@H+](CC(=O)OC(C)(C)C)C1CCN(c2cnc3ccccc3n2)CC1 ZINC000192240959 497045380 /nfs/dbraw/zinc/04/53/80/497045380.db2.gz YARAZOQSYFDDOQ-UHFFFAOYSA-N 1 0 370.497 3.262 10 0 FGAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@H](Oc3ccc(F)c(F)c3)c3ccccc3)C[C@@H]12 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10 0 FGAERO C[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000249648457 497230167 /nfs/dbraw/zinc/23/01/67/497230167.db2.gz SQTHCAIQEXBQTC-ZIBCJSCZSA-N 1 0 356.510 3.315 10 0 FGAERO COc1ccc(C[C@H](NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)c2ccccc2)cc1OC ZINC000237438113 497236717 /nfs/dbraw/zinc/23/67/17/497236717.db2.gz AQXLCIXOLQEKBI-QRVBRYPASA-N 1 0 368.477 3.231 10 0 FGAERO CCOc1ccc([C@@H](C)NC(=O)N[C@H]2CCC[N@H+](CC)C2)cc1OCC ZINC000249755829 497243393 /nfs/dbraw/zinc/24/33/93/497243393.db2.gz HIUTWUSDROTJEL-WBVHZDCISA-N 1 0 363.502 3.329 10 0 FGAERO OCCCCC[NH2+][C@@H](c1ccc(Br)cc1)c1cncnc1 ZINC000192934394 497251487 /nfs/dbraw/zinc/25/14/87/497251487.db2.gz VECJJLHOZRXCRS-INIZCTEOSA-N 1 0 350.260 3.081 10 0 FGAERO CCN1CCC[C@H]([NH2+][C@H](C)c2ccc(I)cc2)C1 ZINC000250250216 497264216 /nfs/dbraw/zinc/26/42/16/497264216.db2.gz IMCQCUDQGWXTBO-DOMZBBRYSA-N 1 0 358.267 3.426 10 0 FGAERO CCOC(=O)c1oc2c(c1C)[C@H](N[C@@H]1CCCn3nc(C)nc31)CCC2 ZINC000193016105 497275580 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FGAERO CCO[C@@H](CNC(=O)N[C@H](C[NH+](C)C)c1ccccc1)c1ccccc1 ZINC000193358530 497360174 /nfs/dbraw/zinc/36/01/74/497360174.db2.gz PDXRLGKNVOQWLU-UXHICEINSA-N 1 0 355.482 3.366 10 0 FGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2nnc(/C=C\c3ccco3)s2)C1 ZINC000255239968 497362382 /nfs/dbraw/zinc/36/23/82/497362382.db2.gz OMGFPBKAFFNEMQ-XBWLEZLWSA-N 1 0 361.471 3.152 10 0 FGAERO CCCCOc1ccc(NC(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)c(C)c1 ZINC000245431771 497402545 /nfs/dbraw/zinc/40/25/45/497402545.db2.gz NJHSKXBUZLVKHD-SJORKVTESA-N 1 0 363.502 3.093 10 0 FGAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000261600264 497417530 /nfs/dbraw/zinc/41/75/30/497417530.db2.gz BEYWTOQVQZPSGY-KKNUOHPOSA-N 1 0 356.388 3.264 10 0 FGAERO CSc1cccc(NC(=O)[C@H](C)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1 ZINC000261683552 497431909 /nfs/dbraw/zinc/43/19/09/497431909.db2.gz IMUSBBJTTUVJMY-VPWXQRGCSA-N 1 0 369.534 3.410 10 0 FGAERO CCCCc1oc2ccccc2c1CN(C)C(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261735406 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/nfs/dbraw/zinc/81/76/82/497817682.db2.gz LHWLDIKJLFWPNB-GJZGRUSLSA-N 1 0 351.878 3.117 10 0 FGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)Nc1ccc(Cl)cc1Cl ZINC000246882040 497818328 /nfs/dbraw/zinc/81/83/28/497818328.db2.gz IDKVCCGAPYRMBQ-KBPBESRZSA-N 1 0 356.297 3.491 10 0 FGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc2sc(N(C)C)nc2s1 ZINC000246895170 497819256 /nfs/dbraw/zinc/81/92/56/497819256.db2.gz HCGCXEODRAVVPT-NEPJUHHUSA-N 1 0 364.540 3.123 10 0 FGAERO CCOc1ccccc1NC(=O)CC[N@@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)OC ZINC000246918896 497820317 /nfs/dbraw/zinc/82/03/17/497820317.db2.gz MWJSSTGZQFDAIN-JQHSSLGASA-N 1 0 374.481 3.220 10 0 FGAERO CN(C[C@@H]1CCC[N@H+](C)C1)c1cc(C(F)(F)F)nc(-c2ccccn2)n1 ZINC000301300859 498047347 /nfs/dbraw/zinc/04/73/47/498047347.db2.gz RBDIESSEGOSDBE-CYBMUJFWSA-N 1 0 365.403 3.335 10 0 FGAERO CCOC(=O)c1cnc2ccc(F)cc2c1N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000301684412 498223607 /nfs/dbraw/zinc/22/36/07/498223607.db2.gz TXGAGDJXSVXWTN-CQSZACIVSA-N 1 0 359.445 3.329 10 0 FGAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCCc1ccc(OCc2ccccc2)cc1 ZINC000384211471 499547437 /nfs/dbraw/zinc/54/74/37/499547437.db2.gz CNNXQZIXTIBYKO-UWJYYQICSA-N 1 0 352.478 3.312 10 0 FGAERO CC(C)CC[NH2+]C[C@@H]1CC(=O)N(C)[C@H]1c1cnn(-c2ccc(F)cc2)c1 ZINC000583623028 506882441 /nfs/dbraw/zinc/88/24/41/506882441.db2.gz DGMCHPJQMZHLTJ-MGPUTAFESA-N 1 0 358.461 3.167 10 0 FGAERO C[N@@H+]1CCc2nc(C=Cc3cc(Cl)c4c(c3)OCCCO4)[nH]c(=O)c2C1 ZINC000606442755 507405927 /nfs/dbraw/zinc/40/59/27/507405927.db2.gz YHMQHRFEUUZUFG-ARJAWSKDSA-N 1 0 373.840 3.155 10 0 FGAERO CC[NH+](CC)CCNc1ccc(CO)c2c1[C@@H](O)c1ccccc1S2 ZINC000584590536 507429163 /nfs/dbraw/zinc/42/91/63/507429163.db2.gz DSUFKBZASPDNRP-IBGZPJMESA-N 1 0 358.507 3.479 10 0 FGAERO CC(=O)N(Cc1ccsc1)[C@H]1CC12CC[NH+](Cc1ccn(C)c1)CC2 ZINC000275864437 519469881 /nfs/dbraw/zinc/46/98/81/519469881.db2.gz XTPGGIRGSWKYGG-IBGZPJMESA-N 1 0 357.523 3.490 10 0 FGAERO CCOC(=O)C1=C(C[NH2+]C2CCCCC2)NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000020213821 520516020 /nfs/dbraw/zinc/51/60/20/520516020.db2.gz FEBNOEAQMZCORM-LJQANCHMSA-N 1 0 371.481 3.088 10 0 FGAERO CC(C)(C)[NH2+]Cc1cccc(-n2cc(I)cn2)c1 ZINC000725273705 570543518 /nfs/dbraw/zinc/54/35/18/570543518.db2.gz WKXKJMABRNBAPJ-UHFFFAOYSA-N 1 0 355.223 3.365 10 0 FGAERO CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@@H](O)c1c(Cl)cccc1Cl ZINC000077773989 700265147 /nfs/dbraw/zinc/26/51/47/700265147.db2.gz JYENQVHYKJUMBI-SMDDNHRTSA-N 1 0 362.301 3.056 10 0 FGAERO Cc1cc(NC(=O)[C@H](C)[NH2+][C@H](C)c2cccc(Br)c2)on1 ZINC000078352442 700277492 /nfs/dbraw/zinc/27/74/92/700277492.db2.gz DIFFVQVGPUNYAV-MNOVXSKESA-N 1 0 352.232 3.423 10 0 FGAERO c1sc(-c2cccnc2)nc1CC[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000082096383 700342601 /nfs/dbraw/zinc/34/26/01/700342601.db2.gz MDNMDUHKAQCACJ-INIZCTEOSA-N 1 0 359.495 3.065 10 0 FGAERO C[C@@H]([NH2+]CCN(C)C1CCCC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000105784917 700504895 /nfs/dbraw/zinc/50/48/95/700504895.db2.gz BLKYQLOUDOBMOV-IAGOWNOFSA-N 1 0 353.551 3.486 10 0 FGAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000111264966 700547414 /nfs/dbraw/zinc/54/74/14/700547414.db2.gz IVILNKCNAUJMTQ-VXNVDRBHSA-N 1 0 351.166 3.262 10 0 FGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NOCc2ccc(C(F)(F)F)cc2)C1 ZINC000122431415 700689787 /nfs/dbraw/zinc/68/97/87/700689787.db2.gz DPZBDDKORMWNSY-DOMZBBRYSA-N 1 0 359.392 3.165 10 0 FGAERO C[C@H]([NH2+][C@@H](C)c1cccc(Cl)c1)C(=O)Nc1sccc1C(N)=O ZINC000129246372 700785280 /nfs/dbraw/zinc/78/52/80/700785280.db2.gz TWUIYMJYVAZQQB-UWVGGRQHSA-N 1 0 351.859 3.178 10 0 FGAERO COc1ccc([C@H](C)NC(=O)[C@@]2(C)CCCC[NH2+]2)cc1Br ZINC000136148479 704858113 /nfs/dbraw/zinc/85/81/13/704858113.db2.gz QZHXTASEOBHDMH-MEDUHNTESA-N 1 0 355.276 3.167 10 0 FGAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)CCSc1ccccc1Br ZINC000157721493 705161574 /nfs/dbraw/zinc/16/15/74/705161574.db2.gz QRFPPXVOAYFLPS-WCQYABFASA-N 1 0 357.317 3.175 10 0 FGAERO Cn1cc(CN2CCC[N@H+](Cc3ccc(SC(F)F)cc3)CC2)cn1 ZINC000170943644 705367736 /nfs/dbraw/zinc/36/77/36/705367736.db2.gz XZJWJRIXFHJAPG-UHFFFAOYSA-N 1 0 366.481 3.443 10 0 FGAERO C[C@@H]([NH2+]C[C@@H](O)COC1CCOCC1)c1c(Cl)ccc(F)c1Cl ZINC000179538648 705704866 /nfs/dbraw/zinc/70/48/66/705704866.db2.gz BVNHLWJULZBGJH-GHMZBOCLSA-N 1 0 366.260 3.340 10 0 FGAERO COc1cccc(CNC(=O)C[NH2+][C@@H](C)c2ccc(F)c(Cl)c2)c1 ZINC000180722692 705754898 /nfs/dbraw/zinc/75/48/98/705754898.db2.gz ZFOMNVMVBPUYKW-LBPRGKRZSA-N 1 0 350.821 3.455 10 0 FGAERO CC[C@@H]1CN(C(=O)c2ccnc(SC(C)(C)C)c2)CCN1CCOC ZINC000181994013 705821285 /nfs/dbraw/zinc/82/12/85/705821285.db2.gz PJSTXWOYJSBOFL-MRXNPFEDSA-N 1 0 365.543 3.155 10 0 FGAERO C[C@@H]([NH2+][C@@H](CO)c1ccccc1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000182917692 705868845 /nfs/dbraw/zinc/86/88/45/705868845.db2.gz RFYVMIDUOHUQMP-WBMJQRKESA-N 1 0 352.356 3.356 10 0 FGAERO CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2ccc(Cl)s2)cc1 ZINC000183009121 705874135 /nfs/dbraw/zinc/87/41/35/705874135.db2.gz AGLMTUDUKYOGPE-SMDDNHRTSA-N 1 0 368.886 3.450 10 0 FGAERO C[C@H]([NH2+]CC(=O)Nc1ccc(C(=O)N(C)C)cc1)c1ccc(Cl)s1 ZINC000183020714 705874567 /nfs/dbraw/zinc/87/45/67/705874567.db2.gz FKECTUUCGHEECW-NSHDSACASA-N 1 0 365.886 3.393 10 0 FGAERO CC1([C@H]2CCC[N@H+](C[C@@H]3CC(c4ccc(Cl)cc4)=NO3)C2)OCCO1 ZINC000183908477 705909975 /nfs/dbraw/zinc/90/99/75/705909975.db2.gz MWAAEQXBRBHMEH-RDJZCZTQSA-N 1 0 364.873 3.308 10 0 FGAERO CC[N@H+](CC(=O)OC(C)(C)C)C1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000190349092 712812467 /nfs/dbraw/zinc/81/24/67/712812467.db2.gz SJBLTQNBGIJJMH-UHFFFAOYSA-N 1 0 367.921 3.363 10 0 FGAERO O=C(NCc1ccco1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000192098606 712850376 /nfs/dbraw/zinc/85/03/76/712850376.db2.gz ZQLFARLJDRMPTP-HZPDHXFCSA-N 1 0 352.356 3.206 10 0 FGAERO Cc1nc(COc2ccc(F)cc2)sc1C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000193479500 712892674 /nfs/dbraw/zinc/89/26/74/712892674.db2.gz YKVDJLMTTJCTLB-XHDPSFHLSA-N 1 0 363.458 3.040 10 0 FGAERO C[C@H]([NH2+]C[C@H]1CSCCS1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000226609184 713572779 /nfs/dbraw/zinc/57/27/79/713572779.db2.gz UUKHLPQQFIWGQS-ZNMIVQPWSA-N 1 0 360.589 3.460 10 0 FGAERO C[C@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)c1ccc(Br)cc1 ZINC000237476022 713592442 /nfs/dbraw/zinc/59/24/42/713592442.db2.gz BJWWGDQQCJCKRF-SJCJKPOMSA-N 1 0 359.267 3.341 10 0 FGAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)COc1cc(Cl)c(Cl)cc1Cl ZINC000238029777 713600069 /nfs/dbraw/zinc/60/00/69/713600069.db2.gz GCOZXZILQGVEQB-QPUJVOFHSA-N 1 0 351.661 3.269 10 0 FGAERO C[C@H]([NH2+]CC(=O)N1CCO[C@@H]2CCCC[C@H]21)c1ccc(F)c(Cl)c1 ZINC000246084249 713616879 /nfs/dbraw/zinc/61/68/79/713616879.db2.gz VSGYYHSYEONOSR-JCURWCKSSA-N 1 0 354.853 3.300 10 0 FGAERO Cc1csc([C@H]2CN(C[C@H]3CCN(C(=O)OC(C)(C)C)C3)CCO2)n1 ZINC000247010873 713634203 /nfs/dbraw/zinc/63/42/03/713634203.db2.gz UEFGLNHMYVNFNY-HUUCEWRRSA-N 1 0 367.515 3.082 10 0 FGAERO O[C@H](C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1)c1cccc(Br)c1 ZINC000248141047 713646114 /nfs/dbraw/zinc/64/61/14/713646114.db2.gz PQDBPEQHGIZTKS-UAGQMJEPSA-N 1 0 354.288 3.110 10 0 FGAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2Cc3cccc(Br)c3C2)C1 ZINC000248672394 713656366 /nfs/dbraw/zinc/65/63/66/713656366.db2.gz BQYKDKNTXUQKLS-MLGOLLRUSA-N 1 0 366.303 3.203 10 0 FGAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2cc3ccccc3s2)C12CCOCC2 ZINC000248993659 713662116 /nfs/dbraw/zinc/66/21/16/713662116.db2.gz LQYBUTAWVZQQGA-ATZDWAIDSA-N 1 0 361.507 3.499 10 0 FGAERO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1cc(Br)cnc1Cl ZINC000252661512 713673608 /nfs/dbraw/zinc/67/36/08/713673608.db2.gz LNXMAZVSNYTQCO-JQWIXIFHSA-N 1 0 372.694 3.196 10 0 FGAERO C/C(=C/c1cccc(Cl)c1)C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000255920115 713710740 /nfs/dbraw/zinc/71/07/40/713710740.db2.gz ZWBXTFXBHGRTEW-QZFKAFNDSA-N 1 0 364.917 3.295 10 0 FGAERO C[NH2+][C@@H](C)CNS(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1 ZINC000261752140 713713890 /nfs/dbraw/zinc/71/38/90/713713890.db2.gz NLAFZACVNNCJLO-LBPRGKRZSA-N 1 0 354.859 3.019 10 0 FGAERO CCOc1cc(C[NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)ccc1O ZINC000305891966 713794134 /nfs/dbraw/zinc/79/41/34/713794134.db2.gz XSEOKCNAKSOJLF-HNNXBMFYSA-N 1 0 350.459 3.138 10 0 FGAERO CCn1nc(C)c([C@H](C)[NH2+]C[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1C ZINC000310654806 713800301 /nfs/dbraw/zinc/80/03/01/713800301.db2.gz NCVOCGYEGHDTIW-XJKSGUPXSA-N 1 0 350.507 3.427 10 0 FGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(Cl)ncc1Br ZINC000312588024 713802525 /nfs/dbraw/zinc/80/25/25/713802525.db2.gz PILZXHHMDMDJTO-SNVBAGLBSA-N 1 0 360.683 3.054 10 0 FGAERO C[C@@H](C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)N1CCCCC1 ZINC000380410383 713976720 /nfs/dbraw/zinc/97/67/20/713976720.db2.gz ZDTXIXWZAZAOOL-BZSNNMDCSA-N 1 0 353.551 3.486 10 0 FGAERO CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C[NH2+]C2CCC(C(C)(C)C)CC2)C1 ZINC000702763132 722410678 /nfs/dbraw/zinc/41/06/78/722410678.db2.gz MLRMFNUIHGAAMU-VXLLPVPCSA-N 1 0 354.535 3.409 10 0 FGAERO C[C@H](c1ccccc1Br)N1CCc2sc(C[NH3+])nc2C1 ZINC000710237096 722413371 /nfs/dbraw/zinc/41/33/71/722413371.db2.gz DJFCSPMHAZMEIM-SNVBAGLBSA-N 1 0 352.301 3.484 10 0 FGAERO [NH3+][C@@H]1CN(c2ncc(Br)cc2Cl)CC[C@@H]1C(F)(F)F ZINC000716996360 722417153 /nfs/dbraw/zinc/41/71/53/722417153.db2.gz FCNPYJSEAGGWLO-IONNQARKSA-N 1 0 358.589 3.213 10 0 FGAERO [NH3+][C@H]1CN(c2ncc(Br)cc2Cl)CC[C@H]1C(F)(F)F ZINC000716996356 722417218 /nfs/dbraw/zinc/41/72/18/722417218.db2.gz FCNPYJSEAGGWLO-APPZFPTMSA-N 1 0 358.589 3.213 10 0 FGAERO C[C@@H]([NH2+]Cc1nc2c(s1)CCC2)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000719547226 722418814 /nfs/dbraw/zinc/41/88/14/722418814.db2.gz HMQHSWYQTJLPQQ-OLZOCXBDSA-N 1 0 351.516 3.367 10 0 FGAERO COCC[N@@H+]1CCC[C@@]2(CCN(Cc3cc4c(cc3Cl)OCO4)C2)C1 ZINC000012708881 220019271 /nfs/dbraw/zinc/01/92/71/220019271.db2.gz GYYYVSXPYBBSAA-LJQANCHMSA-N 1 0 366.889 3.003 10 0 FGAERO CCOC(=O)C1=C(C[NH2+]C2CCCCC2)NC(=O)N[C@H]1c1ccc(C)cc1 ZINC000020213824 220317538 /nfs/dbraw/zinc/31/75/38/220317538.db2.gz FEBNOEAQMZCORM-IBGZPJMESA-N 1 0 371.481 3.088 10 0 FGAERO CC[N@@H+]1CCC[C@H]1CNc1ncnc2onc(-c3ccccc3OC)c21 ZINC000021650675 220362600 /nfs/dbraw/zinc/36/26/00/220362600.db2.gz DAHXRFXFEURJRP-ZDUSSCGKSA-N 1 0 353.426 3.190 10 0 FGAERO CC(C)(C)NNc1[nH+]cnc(Nc2cccc(Br)c2)c1N ZINC000040796586 220922195 /nfs/dbraw/zinc/92/21/95/220922195.db2.gz VACJXCUABWNAAC-UHFFFAOYSA-N 1 0 351.252 3.280 10 0 FGAERO C[C@H]([NH2+]Cc1cc(Br)c2c(c1)OCCCO2)[C@H]1CCCO1 ZINC000037324927 257337991 /nfs/dbraw/zinc/33/79/91/257337991.db2.gz CBVVWMWTBXNQDX-SMDDNHRTSA-N 1 0 356.260 3.268 10 0 FGAERO C[C@@H](N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1nnc2n1CCCC2 ZINC000249037899 257371136 /nfs/dbraw/zinc/37/11/36/257371136.db2.gz TWZWGQFRQRZRFJ-RSPOEFSDSA-N 1 0 365.525 3.461 10 0 FGAERO CCOc1ccc(C(=O)Nc2ccc(N3CC[NH+](CC)CC3)c(N)c2)cc1 ZINC000226263820 132374698 /nfs/dbraw/zinc/37/46/98/132374698.db2.gz SYGOOCCBCQCCHY-UHFFFAOYSA-N 1 0 368.481 3.062 10 0 FGAERO Clc1ccc(-c2nc(-c3ccccn3)cc(N3CC[NH2+]CC3)n2)cc1 ZINC000073662859 132376762 /nfs/dbraw/zinc/37/67/62/132376762.db2.gz IDUOOICRSWUDCX-UHFFFAOYSA-N 1 0 351.841 3.269 10 0 FGAERO C[C@@H](COc1ccc(F)c(F)c1)[NH2+]C[C@@H](O)Cc1ccc(F)cc1F ZINC000097138193 222162694 /nfs/dbraw/zinc/16/26/94/222162694.db2.gz SGHSTHABDDCBLQ-FZMZJTMJSA-N 1 0 357.347 3.204 10 0 FGAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc(Br)cc1Br ZINC000104219111 222352400 /nfs/dbraw/zinc/35/24/00/222352400.db2.gz CHTSEEUVXYAHOH-APPZFPTMSA-N 1 0 362.065 3.006 10 0 FGAERO C[C@@H](NC(=O)N[C@H](C[NH+](C)C)c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000048020700 493775019 /nfs/dbraw/zinc/77/50/19/493775019.db2.gz JDDYKOPUYYEAPQ-CRAIPNDOSA-N 1 0 369.465 3.121 10 0 FGAERO CC(=O)Nc1cccc([C@@H](C)NC(=O)N[C@H](C[NH+](C)C)c2ccccc2)c1 ZINC000048217212 493804623 /nfs/dbraw/zinc/80/46/23/493804623.db2.gz GRCQWVVUAQEVSJ-FOIQADDNSA-N 1 0 368.481 3.308 10 0 FGAERO COc1ccc(Cc2c(Cl)nc(SC)nc2SC(N)=[NH2+])cc1 ZINC000005324794 493924937 /nfs/dbraw/zinc/92/49/37/493924937.db2.gz TUOZGITYMJENKA-UHFFFAOYSA-N 1 0 354.888 3.437 10 0 FGAERO CCOc1ccc([C@H](C)NC(=O)N[C@@H]2CCC[N@H+](CC)C2)cc1OCC ZINC000052498664 494031865 /nfs/dbraw/zinc/03/18/65/494031865.db2.gz HIUTWUSDROTJEL-DOTOQJQBSA-N 1 0 363.502 3.329 10 0 FGAERO C[NH+](C)C[C@@H](NC(=O)c1cccc(NC(=O)C2CC2)c1)c1ccccc1 ZINC000052555843 494040106 /nfs/dbraw/zinc/04/01/06/494040106.db2.gz QEEHTQPXAXPMGV-LJQANCHMSA-N 1 0 351.450 3.068 10 0 FGAERO C[NH+](C)C[C@H](NC(=O)COc1ccc(F)cc1Cl)c1ccccc1 ZINC000007817851 494045748 /nfs/dbraw/zinc/04/57/48/494045748.db2.gz FYIZJBAAWMXRSN-INIZCTEOSA-N 1 0 350.821 3.277 10 0 FGAERO O=S(=O)(CCc1ccc2[nH]cc(C[C@H]3CCC[NH2+]3)c2c1)c1ccccc1 ZINC000077287124 494048819 /nfs/dbraw/zinc/04/88/19/494048819.db2.gz HHTDENYTSCXDFO-GOSISDBHSA-N 1 0 368.502 3.479 10 0 endogenous,world FGAERO CCOC(=O)c1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(F)c(F)c2)cc1 ZINC000008248093 494078636 /nfs/dbraw/zinc/07/86/36/494078636.db2.gz KWEAHQOQIJMSTI-GFCCVEGCSA-N 1 0 362.376 3.431 10 0 FGAERO [NH3+]CC[C@](O)(COCc1ccc(Br)cc1)c1ccccc1 ZINC000035858230 494081836 /nfs/dbraw/zinc/08/18/36/494081836.db2.gz KRLVHRCDMFUREV-KRWDZBQOSA-N 1 0 350.256 3.202 10 0 FGAERO COc1cc(C[N@H+](C[C@H](O)COc2ccccc2)C2CC2)cc(OC)c1 ZINC000036095098 494086260 /nfs/dbraw/zinc/08/62/60/494086260.db2.gz FQCVVLILBOQHQP-SFHVURJKSA-N 1 0 357.450 3.108 10 0 FGAERO Cc1ccccc1C(=O)N[C@H](C(=O)NCC(C)(C)[NH+]1CCCCC1)C(C)C ZINC000042159622 494205668 /nfs/dbraw/zinc/20/56/68/494205668.db2.gz PEVOLCKHRNPNKU-IBGZPJMESA-N 1 0 373.541 3.130 10 0 FGAERO C[C@@H](NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)OCCO2)c1ccccc1 ZINC000078315172 494277388 /nfs/dbraw/zinc/27/73/88/494277388.db2.gz YJKFDYBSWJZNPX-PMPSAXMXSA-N 1 0 354.450 3.374 10 0 FGAERO COC(=O)c1ccc(C)c(NC(=O)N[C@H](C[NH+](C)C)c2ccccc2)c1 ZINC000043387619 494292778 /nfs/dbraw/zinc/29/27/78/494292778.db2.gz BBCCRFAECNQQMB-GOSISDBHSA-N 1 0 355.438 3.206 10 0 FGAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCc1c(C)nn(-c2ccccc2)c1C ZINC000078597274 494327444 /nfs/dbraw/zinc/32/74/44/494327444.db2.gz BCHWBKXXADJAET-HNNXBMFYSA-N 1 0 357.502 3.019 10 0 FGAERO Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCCN(c3cccnn3)C2)c(C)c1 ZINC000089733176 494350563 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10 0 FGAERO Cc1c(Br)cccc1C(=O)N1C[C@H]2CCCC[N@H+]2C[C@@H]1C ZINC000090896644 494503489 /nfs/dbraw/zinc/50/34/89/494503489.db2.gz QPRCTHZAURYEJF-GXTWGEPZSA-N 1 0 351.288 3.456 10 0 FGAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCC1(c2ccccc2C)CCOCC1 ZINC000056948273 494600835 /nfs/dbraw/zinc/60/08/35/494600835.db2.gz ZZQRCBJNIBGRCC-SFHVURJKSA-N 1 0 361.530 3.073 10 0 FGAERO CC(C)COc1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3cnn(C)c3)C2=O)cc1 ZINC000131462001 494627851 /nfs/dbraw/zinc/62/78/51/494627851.db2.gz USXNEXHGGUVZIY-OXJNMPFZSA-N 1 0 370.497 3.301 10 0 FGAERO Cc1ccc(C[C@H](NC(=O)N2CC[C@H]([NH+](C)C)C2)c2ccccn2)cc1 ZINC000115850416 494641826 /nfs/dbraw/zinc/64/18/26/494641826.db2.gz MORBNKWCVOVEAB-ICSRJNTNSA-N 1 0 352.482 3.019 10 0 FGAERO CCCC(=O)Nc1cccc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1C ZINC000092598913 494681872 /nfs/dbraw/zinc/68/18/72/494681872.db2.gz YSGYNLLSYADNSR-HOCLYGCPSA-N 1 0 358.486 3.434 10 0 FGAERO CCCO[C@H]1CCC[N@H+](C[C@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000108396757 494698555 /nfs/dbraw/zinc/69/85/55/494698555.db2.gz YCXHJUBYMWZXFD-OALUTQOASA-N 1 0 355.906 3.499 10 0 FGAERO Cn1cc(CN2CCC[N@H+](CCCSCc3ccccc3)CC2)cn1 ZINC000131848704 494752412 /nfs/dbraw/zinc/75/24/12/494752412.db2.gz OCSAJTRBCYLCGH-UHFFFAOYSA-N 1 0 358.555 3.251 10 0 FGAERO COCOc1ccc(OC)cc1C[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000092812815 494757845 /nfs/dbraw/zinc/75/78/45/494757845.db2.gz DGNMOEJTUPJVNZ-MRXNPFEDSA-N 1 0 357.454 3.007 10 0 FGAERO COC(=O)c1sc2ccccc2c1C[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000116315555 494761135 /nfs/dbraw/zinc/76/11/35/494761135.db2.gz OWHZUMNHFRFJDN-CYBMUJFWSA-N 1 0 355.463 3.411 10 0 FGAERO C[C@H](OC[C@H](O)C[N@@H+]1CC[C@H](c2cnn(C)c2)C1)c1ccc(Cl)cc1 ZINC000116408206 494774794 /nfs/dbraw/zinc/77/47/94/494774794.db2.gz AVSBFFPCHABYHW-URLQWDBASA-N 1 0 363.889 3.002 10 0 FGAERO COc1ccc(COC[C@@H](O)C[N@@H+]2CCC[C@@H]2c2ccco2)cc1OC ZINC000116404479 494776125 /nfs/dbraw/zinc/77/61/25/494776125.db2.gz NGCUBJIDZKAPNX-DLBZAZTESA-N 1 0 361.438 3.011 10 0 FGAERO C[NH+](C)CCOc1cccc(CNC(=O)N2CCC[C@H]2c2ccco2)c1 ZINC000116421380 494780609 /nfs/dbraw/zinc/78/06/09/494780609.db2.gz XFMWNKKQFCBOOO-SFHVURJKSA-N 1 0 357.454 3.267 10 0 FGAERO Cn1cc(C[N@@H+]2CCCN(Cc3cc(Cl)cc(Cl)c3)CC2)cn1 ZINC000121557071 494802317 /nfs/dbraw/zinc/80/23/17/494802317.db2.gz DRFKFYYMVQPWMG-UHFFFAOYSA-N 1 0 353.297 3.435 10 0 FGAERO Cc1ccc(N2CCC[N@H+](Cc3ccc(OC(F)F)c(F)c3)CC2)nn1 ZINC000093151275 494836499 /nfs/dbraw/zinc/83/64/99/494836499.db2.gz OPAFVUCDTBIHDS-UHFFFAOYSA-N 1 0 366.387 3.238 10 0 FGAERO Cc1ncc(C[NH+]2CCC(N(C)c3cccnn3)CC2)n1-c1ccccc1 ZINC000093272580 494854681 /nfs/dbraw/zinc/85/46/81/494854681.db2.gz SBISSELMELCAGX-UHFFFAOYSA-N 1 0 362.481 3.072 10 0 FGAERO CC(C)[C@H](CNC(=O)N[C@@H](C)c1ccc(Cl)s1)[NH+]1CCN(C)CC1 ZINC000093351855 494874865 /nfs/dbraw/zinc/87/48/65/494874865.db2.gz DUSILCHTAWEBOG-KBPBESRZSA-N 1 0 372.966 3.034 10 0 FGAERO CC(C)Sc1ccc([C@@H](C)NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1 ZINC000117045534 494887026 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Cc1cnn(C[C@@H]2CN(CC(C)(C)C[N@H+](C)Cc3ccccc3)CCO2)c1 ZINC000122450963 494977807 /nfs/dbraw/zinc/97/78/07/494977807.db2.gz WMZOIQMDRLDJEN-NRFANRHFSA-N 1 0 370.541 3.051 10 0 FGAERO CCCN(CC[NH+](CC)CC)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000133231196 494988043 /nfs/dbraw/zinc/98/80/43/494988043.db2.gz NGSHRUYFTJCPSJ-INIZCTEOSA-N 1 0 363.502 3.282 10 0 FGAERO CCOCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000127772971 494995264 /nfs/dbraw/zinc/99/52/64/494995264.db2.gz WZMLGTHJJFYDKP-CVEARBPZSA-N 1 0 367.559 3.377 10 0 FGAERO C[NH+](C)C[C@@H]1CN(C(=O)Nc2ccc(OCc3ccccc3)cc2)CCO1 ZINC000118820230 495042158 /nfs/dbraw/zinc/04/21/58/495042158.db2.gz KNEJJCCNNWAEJT-HXUWFJFHSA-N 1 0 369.465 3.060 10 0 FGAERO C[NH+](C)C[C@@H]1CN(Cc2cccc(OCc3ccccc3F)c2)CCO1 ZINC000128174330 495056131 /nfs/dbraw/zinc/05/61/31/495056131.db2.gz QVKQUBNUASHFQC-HXUWFJFHSA-N 1 0 358.457 3.167 10 0 FGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cncc(-c2ccc(N(C)C)cc2)c1 ZINC000123046473 495072188 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ZINC000106214444 495433662 /nfs/dbraw/zinc/43/36/62/495433662.db2.gz YSKLMBXMZPDYBB-KRWDZBQOSA-N 1 0 374.916 3.442 10 0 FGAERO CCc1nccn1[C@@H]1CCC[N@H+](Cc2cc(=O)oc3cc(OC)ccc23)C1 ZINC000106217226 495435064 /nfs/dbraw/zinc/43/50/64/495435064.db2.gz FDGWWSZEZJNBKZ-MRXNPFEDSA-N 1 0 367.449 3.398 10 0 FGAERO CCc1nccn1[C@H]1CCC[N@H+](CC(=O)N2CCCc3ccccc32)C1 ZINC000106216663 495435138 /nfs/dbraw/zinc/43/51/38/495435138.db2.gz HMWSZOLIELPKSI-SFHVURJKSA-N 1 0 352.482 3.062 10 0 FGAERO CCc1nccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N2CCc3ccccc32)C1 ZINC000106216936 495435361 /nfs/dbraw/zinc/43/53/61/495435361.db2.gz MNNROAXVLLYDFW-FUHWJXTLSA-N 1 0 352.482 3.060 10 0 FGAERO Cc1cnn([C@H]2CCC[N@@H+](CC(=O)N(C)[C@@H]3CCCc4ccccc43)C2)c1 ZINC000106225519 495438842 /nfs/dbraw/zinc/43/88/42/495438842.db2.gz DKMBJTPLVUGXFF-PZJWPPBQSA-N 1 0 366.509 3.364 10 0 FGAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000106459745 495457624 /nfs/dbraw/zinc/45/76/24/495457624.db2.gz MMIDELCAMJJHMY-WOJBJXKFSA-N 1 0 372.896 3.413 10 0 FGAERO CN(CCC1CCOCC1)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000130906647 495464764 /nfs/dbraw/zinc/46/47/64/495464764.db2.gz IFMNRNRGZDFGOB-OAQYLSRUSA-N 1 0 373.541 3.499 10 0 FGAERO O=C(NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)c1cccc(F)c1 ZINC000115157636 495468240 /nfs/dbraw/zinc/46/82/40/495468240.db2.gz CKHPMWBWAGPVSN-HXUWFJFHSA-N 1 0 356.441 3.001 10 0 FGAERO COCC[N@@H+]1CCN(C[C@@H](C)c2cccc(Br)c2)C[C@H]1C ZINC000120847231 495470472 /nfs/dbraw/zinc/47/04/72/495470472.db2.gz CTHIAGXNSIXSHC-HUUCEWRRSA-N 1 0 355.320 3.205 10 0 FGAERO CC(C)(C)Cc1nc(-c2cccc(C(=O)N3CCCC[C@@H]3C[NH3+])c2)no1 ZINC000131059184 495486321 /nfs/dbraw/zinc/48/63/21/495486321.db2.gz NAKNVDFMWIROOV-MRXNPFEDSA-N 1 0 356.470 3.279 10 0 FGAERO Cc1nn(Cc2ccccc2)c2sc(C(=O)N3CCCC[C@@H]3C[NH3+])cc12 ZINC000131115363 495493732 /nfs/dbraw/zinc/49/37/32/495493732.db2.gz DSAOGANHXREPIK-MRXNPFEDSA-N 1 0 368.506 3.408 10 0 FGAERO O=C(CCc1cc(Br)cs1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000107132595 495522709 /nfs/dbraw/zinc/52/27/09/495522709.db2.gz IMHLMMIJBAOWTJ-ZDUSSCGKSA-N 1 0 357.317 3.140 10 0 FGAERO COc1ccc(-c2ccc(C(=O)N3CC[C@H]([NH+](C)C)C3)c(F)c2)c(F)c1 ZINC000107246917 495524332 /nfs/dbraw/zinc/52/43/32/495524332.db2.gz KPSJEKZZURURFD-AWEZNQCLSA-N 1 0 360.404 3.417 10 0 FGAERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1nnc(Cc2cccc(F)c2)s1 ZINC000107382089 495526622 /nfs/dbraw/zinc/52/66/22/495526622.db2.gz VHDFOIUZBOMORQ-LBPRGKRZSA-N 1 0 365.478 3.120 10 0 FGAERO COc1cc(F)c(NC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)cc1OC ZINC000107381702 495526665 /nfs/dbraw/zinc/52/66/65/495526665.db2.gz IIUXUYIZKVPYOD-INIZCTEOSA-N 1 0 361.417 3.267 10 0 FGAERO CC(C)c1ccc([C@@H](C)NC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)cc1 ZINC000185459683 495585733 /nfs/dbraw/zinc/58/57/33/495585733.db2.gz WENIXQHDJKIPJA-QZTJIDSGSA-N 1 0 360.546 3.196 10 0 FGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1 ZINC000176309810 495593059 /nfs/dbraw/zinc/59/30/59/495593059.db2.gz MLAGWFLWQCIKJM-LJQANCHMSA-N 1 0 372.513 3.307 10 0 FGAERO CC[NH+](CC)Cc1cccc(CNC(=O)C2CCC(C(=O)OC)CC2)c1 ZINC000179469811 495603535 /nfs/dbraw/zinc/60/35/35/495603535.db2.gz BWRKXJNEGIKGNR-UHFFFAOYSA-N 1 0 360.498 3.124 10 0 FGAERO Cc1cccc(COc2ccc(CNC(=O)N3CC[C@H]([NH+](C)C)C3)cc2)c1 ZINC000170828822 495618124 /nfs/dbraw/zinc/61/81/24/495618124.db2.gz RCJPBUHDKPXWLA-FQEVSTJZSA-N 1 0 367.493 3.420 10 0 FGAERO OC[C@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000170846923 495625963 /nfs/dbraw/zinc/62/59/63/495625963.db2.gz GGAFPYZTWIJQMU-HOCLYGCPSA-N 1 0 356.249 3.056 10 0 FGAERO CCOC(=O)N(C)c1ccc(NC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1 ZINC000176401789 495637712 /nfs/dbraw/zinc/63/77/12/495637712.db2.gz NFNLHAFKZIBQTM-WMLDXEAASA-N 1 0 362.474 3.130 10 0 FGAERO C[NH+](C)Cc1ccc(C(=O)N2CCCC[C@@H]2c2nnc3n2CCCC3)cc1 ZINC000176405268 495639480 /nfs/dbraw/zinc/63/94/80/495639480.db2.gz AUTJWGSAFAFVLL-GOSISDBHSA-N 1 0 367.497 3.043 10 0 FGAERO C[NH+](C)Cc1ccc(C(=O)N2CCCC[C@H]2c2nnc3n2CCCC3)cc1 ZINC000176405284 495639732 /nfs/dbraw/zinc/63/97/32/495639732.db2.gz AUTJWGSAFAFVLL-SFHVURJKSA-N 1 0 367.497 3.043 10 0 FGAERO CCc1ccc([C@@H](CNC(=O)N2CCC[C@H]2c2cnn(C)c2)[NH+](C)C)cc1 ZINC000170883366 495639956 /nfs/dbraw/zinc/63/99/56/495639956.db2.gz SWEWRFRLLFWJHX-VQTJNVASSA-N 1 0 369.513 3.132 10 0 FGAERO CC[C@H](CC(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1)c1ccc(C)cc1 ZINC000176447253 495654194 /nfs/dbraw/zinc/65/41/94/495654194.db2.gz QPNXJCRKEQQPFT-UYAOXDASSA-N 1 0 360.542 3.430 10 0 FGAERO CCn1cc(CN2CCC[N@H+](Cc3cccc(OC(F)F)c3)CC2)cn1 ZINC000170944231 495662335 /nfs/dbraw/zinc/66/23/35/495662335.db2.gz CXYHUEXYXPJDKJ-UHFFFAOYSA-N 1 0 364.440 3.212 10 0 FGAERO Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000182700508 495669817 /nfs/dbraw/zinc/66/98/17/495669817.db2.gz QUIVWUCGDQUAEM-QAPCUYQASA-N 1 0 361.534 3.148 10 0 FGAERO COc1ccc(-c2csc(CNC(=O)N3CC[C@H]([NH+](C)C)C3)c2)cc1 ZINC000176515621 495678481 /nfs/dbraw/zinc/67/84/81/495678481.db2.gz GULNGCAFQRTXFK-INIZCTEOSA-N 1 0 359.495 3.269 10 0 FGAERO Cn1cc([C@@H]2CC[N@H+](Cc3ccc(I)cc3)C2)cn1 ZINC000173761559 495680846 /nfs/dbraw/zinc/68/08/46/495680846.db2.gz SSBGOWOQQLEPEJ-CYBMUJFWSA-N 1 0 367.234 3.014 10 0 FGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2ccc(Oc3ccccc3)nc2)C1 ZINC000176522948 495682476 /nfs/dbraw/zinc/68/24/76/495682476.db2.gz BFXMEBWWKNCNCA-APWZRJJASA-N 1 0 368.481 3.402 10 0 FGAERO CCN(C(=O)[C@H](C)[N@@H+]1CC[C@H](CNc2ccccn2)C1)C1CCCCC1 ZINC000151098348 495736974 /nfs/dbraw/zinc/73/69/74/495736974.db2.gz SZRXYNVIJRTCRC-ZWKOTPCHSA-N 1 0 358.530 3.385 10 0 FGAERO FC(F)(F)c1cccc(OCCCC[N@@H+]2CC[C@@H](N3CCOCC3)C2)c1 ZINC000173907643 495742162 /nfs/dbraw/zinc/74/21/62/495742162.db2.gz KRCIZZDJUWYVCG-QGZVFWFLSA-N 1 0 372.431 3.271 10 0 FGAERO C[C@H](COCc1ccccc1)NC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000173984029 495777068 /nfs/dbraw/zinc/77/70/68/495777068.db2.gz CGDNYXPZEBUGRP-IEBWSBKVSA-N 1 0 371.481 3.321 10 0 FGAERO CCOc1cc(Br)ccc1NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000154970823 495789172 /nfs/dbraw/zinc/78/91/72/495789172.db2.gz QGBJELUUYBDMOV-GFCCVEGCSA-N 1 0 356.264 3.016 10 0 FGAERO CC[N@@H+]1CCC[C@H](NC(=O)c2c(C)nn(Cc3ccccc3Cl)c2C)C1 ZINC000171319518 495820589 /nfs/dbraw/zinc/82/05/89/495820589.db2.gz SDNOVBOHXJLFIB-KRWDZBQOSA-N 1 0 374.916 3.416 10 0 FGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)CS[C@@H](C)c1nc2ccccc2[nH]1 ZINC000174133977 495832284 /nfs/dbraw/zinc/83/22/84/495832284.db2.gz GHVQWSHHKYBFHW-GJZGRUSLSA-N 1 0 362.543 3.450 10 0 FGAERO C[C@@H]([NH2+]CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)[C@H]1CCCO1 ZINC000183159352 495860943 /nfs/dbraw/zinc/86/09/43/495860943.db2.gz IWVCAKFUMPAHHJ-DNVCBOLYSA-N 1 0 367.449 3.035 10 0 FGAERO COc1cc(C[N@@H+]2CCC[C@H]2Cn2ccnc2C)ccc1OC(=O)C1CC1 ZINC000180126022 495868528 /nfs/dbraw/zinc/86/85/28/495868528.db2.gz QLRGPPZHVDNVFX-SFHVURJKSA-N 1 0 369.465 3.180 10 0 FGAERO COC(=O)COc1c(C)cc(C[N@@H+]2CCC[C@H]2Cn2ccnc2C)cc1C ZINC000180133478 495872742 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C[NH+](C)C[C@H]1CN(C(=O)N[C@H](CC2CCCC2)c2ccccc2)CCO1 ZINC000151663692 495911998 /nfs/dbraw/zinc/91/19/98/495911998.db2.gz ZDKZMUGGNQVWIW-VQTJNVASSA-N 1 0 359.514 3.280 10 0 FGAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(C)CC3)nc2)C12CCOCC2 ZINC000186250912 495915665 /nfs/dbraw/zinc/91/56/65/495915665.db2.gz KOJPQUMWSJWLJS-WOJBJXKFSA-N 1 0 373.541 3.382 10 0 FGAERO C[NH+]1CCC(CCNC(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)CC1 ZINC000151691482 495920255 /nfs/dbraw/zinc/92/02/55/495920255.db2.gz YFYNDXPACIEPAO-INIZCTEOSA-N 1 0 357.420 3.191 10 0 FGAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)C12CCOCC2 ZINC000186281571 495927970 /nfs/dbraw/zinc/92/79/70/495927970.db2.gz WINAGOFVJUFCHZ-KFKAGJAMSA-N 1 0 374.481 3.268 10 0 FGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cccc(NC(=O)c3cccs3)c2)C1 ZINC000155351305 495930563 /nfs/dbraw/zinc/93/05/63/495930563.db2.gz HOSDCWWXPZLJPB-PBHICJAKSA-N 1 0 371.506 3.459 10 0 FGAERO O=C(Cc1cc2c(ccc3ccccc23)o1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000151743050 495934019 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FGAERO CCO[C@@H]1C[C@H]([NH2+]CCc2nc(-c3ccccn3)cs2)C12CCOCC2 ZINC000186410872 495988498 /nfs/dbraw/zinc/98/84/98/495988498.db2.gz JJPXICDLQHLYFJ-ZWKOTPCHSA-N 1 0 373.522 3.311 10 0 FGAERO Cc1c(Cl)c(C[N@H+]2C[C@H](C)[C@H](N3CCOCC3)C2)nc2ccccc12 ZINC000177256744 495996870 /nfs/dbraw/zinc/99/68/70/495996870.db2.gz ACOJLGIINLZDSA-IFXJQAMLSA-N 1 0 359.901 3.349 10 0 FGAERO COc1cccc(OCCCNC(=O)N[C@H](C[NH+](C)C)c2ccccc2)c1 ZINC000155635807 496020590 /nfs/dbraw/zinc/02/05/90/496020590.db2.gz KLULXOTXIJJYFV-HXUWFJFHSA-N 1 0 371.481 3.066 10 0 FGAERO CCO[C@H]1C[C@@H]([NH2+]Cc2cn(C)nc2-c2ccccc2)C12CCOCC2 ZINC000186499524 496020976 /nfs/dbraw/zinc/02/09/76/496020976.db2.gz VYCJUZUITFFHJQ-MOPGFXCFSA-N 1 0 355.482 3.151 10 0 FGAERO CCO[C@H]1C[C@@H]([NH2+]Cc2cn(-c3ccccc3)nc2C)C12CCOCC2 ZINC000186498944 496021318 /nfs/dbraw/zinc/02/13/18/496021318.db2.gz XNCIVEFPCOOQIG-UXHICEINSA-N 1 0 355.482 3.245 10 0 FGAERO CC(C)CC(=O)N[C@H](C(=O)NC[C@H]([NH3+])c1ccc(C(C)C)cc1)C(C)C ZINC000152015844 496022604 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Cc1ccc(C(=O)N(C)CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)o1 ZINC000177460998 496070167 /nfs/dbraw/zinc/07/01/67/496070167.db2.gz YRJSETCLQDMQLQ-IBGZPJMESA-N 1 0 356.466 3.106 10 0 FGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(F)c(Br)c1)CC2 ZINC000180626024 496074838 /nfs/dbraw/zinc/07/48/38/496074838.db2.gz MEBZSGVECGCHEY-CMPLNLGQSA-N 1 0 367.266 3.408 10 0 FGAERO CN(C)c1ccc(C(F)(F)F)cc1NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171887176 496075392 /nfs/dbraw/zinc/07/53/92/496075392.db2.gz DHORJRPEDXYSFP-CYBMUJFWSA-N 1 0 356.392 3.083 10 0 FGAERO C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cn1)c1cccc(-n2ccnc2)c1 ZINC000180658222 496091103 /nfs/dbraw/zinc/09/11/03/496091103.db2.gz LVUGCRXXSUFKDB-ZDUSSCGKSA-N 1 0 355.829 3.210 10 0 FGAERO COc1cccc(NC(=O)CCN2CCC[C@@H]2c2noc(C(C)C)n2)c1 ZINC000174764602 496096459 /nfs/dbraw/zinc/09/64/59/496096459.db2.gz PTZJBEZOKLQPKT-MRXNPFEDSA-N 1 0 358.442 3.367 10 0 FGAERO CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[NH2+][C@H](C)c1cccs1 ZINC000180672823 496097681 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COc1ccc([C@H](C)[NH2+]Cc2cc(=O)n3cc(Cl)ccc3n2)cc1OC ZINC000180846631 496169695 /nfs/dbraw/zinc/16/96/95/496169695.db2.gz LXGMVTCDJHJTDV-LBPRGKRZSA-N 1 0 373.840 3.216 10 0 FGAERO CCC[C@@H](C(=O)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1)[NH+](C)C ZINC000184005161 496197269 /nfs/dbraw/zinc/19/72/69/496197269.db2.gz HRANOFVTLKCDOV-JKSUJKDBSA-N 1 0 358.404 3.336 10 0 FGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccn(-c2cccc(Cl)c2)n1 ZINC000175023170 496213017 /nfs/dbraw/zinc/21/30/17/496213017.db2.gz MVMFALXYTRLXGL-NVXWUHKLSA-N 1 0 358.873 3.225 10 0 FGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(C2CC2)nc2onc(C)c21 ZINC000175031977 496217216 /nfs/dbraw/zinc/21/72/16/496217216.db2.gz SMVIBTAKURRDCF-HUUCEWRRSA-N 1 0 354.454 3.107 10 0 FGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCC(=O)Nc1ccc(Cl)cc1F ZINC000175050190 496225434 /nfs/dbraw/zinc/22/54/34/496225434.db2.gz NRLXVXYOXUMQNT-LSDHHAIUSA-N 1 0 353.869 3.366 10 0 FGAERO CCC[C@H](C(=O)NCC1(c2cccc(Cl)c2)CCOCC1)[NH+](C)C ZINC000161740422 496230305 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C[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[C@@H]1CCCO1 ZINC000156718786 496318192 /nfs/dbraw/zinc/31/81/92/496318192.db2.gz XZSCIYXSPUOMBX-BWPNAZKDSA-N 1 0 359.514 3.248 10 0 FGAERO CC(C)Oc1ccc(NC(=O)NC[C@H](O)C[NH+]2CCCCC2)c(Cl)c1 ZINC000187227144 496348548 /nfs/dbraw/zinc/34/85/48/496348548.db2.gz RUCCEUQJNJYULX-AWEZNQCLSA-N 1 0 369.893 3.096 10 0 FGAERO Cc1cnn([C@@H]2CCC[N@H+](Cc3cnn(Cc4ccc(F)cc4)c3)C2)c1 ZINC000187239212 496356363 /nfs/dbraw/zinc/35/63/63/496356363.db2.gz TYESFQFMSUQYAB-HXUWFJFHSA-N 1 0 353.445 3.413 10 0 FGAERO Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178211848 496371459 /nfs/dbraw/zinc/37/14/59/496371459.db2.gz MGGAVHVOHXDQLK-HKUYNNGSSA-N 1 0 358.530 3.355 10 0 FGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCCc1ccc(OC)cc1OC ZINC000156993032 496381680 /nfs/dbraw/zinc/38/16/80/496381680.db2.gz CAGNOKGWCOKLED-QZTJIDSGSA-N 1 0 360.498 3.112 10 0 FGAERO CCc1ccc([C@H](C)NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H]2Cn2ccnc2C)cc1 ZINC000178290995 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3.228 10 0 FGAERO Cc1c([C@@H](C)NC[C@H](O)C[NH+]2CCCCC2)cnn1-c1cc(C)ccc1C ZINC000151251408 495784405 /nfs/dbraw/zinc/78/44/05/495784405.db2.gz JNOFCPYGQXXGCY-QUCCMNQESA-N 1 0 370.541 3.295 10 0 FGAERO CCCc1c(C(=O)N(C)C[C@@H]2CCC[N@@H+]2CC)cnn1-c1ccccc1 ZINC000182982864 495784905 /nfs/dbraw/zinc/78/49/05/495784905.db2.gz BSDBLVSCBJYFGG-SFHVURJKSA-N 1 0 354.498 3.381 10 0 FGAERO CCc1noc(-c2ccc(C)c(NC(=O)N3C[C@@H]4CCC[N@@H+]4C[C@@H]3C)c2)n1 ZINC000151347693 495810726 /nfs/dbraw/zinc/81/07/26/495810726.db2.gz QGHMOZVKINQWHR-HOCLYGCPSA-N 1 0 369.469 3.308 10 0 FGAERO O[C@@H](CN[C@H]1CCc2ccc(OC(F)(F)F)cc21)C[NH+]1CCCCC1 ZINC000151348610 495812171 /nfs/dbraw/zinc/81/21/71/495812171.db2.gz TVLPYKRPYBKJFY-YOEHRIQHSA-N 1 0 358.404 3.009 10 0 FGAERO CCCc1sc(C(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)cc1CC ZINC000176862468 495816230 /nfs/dbraw/zinc/81/62/30/495816230.db2.gz VPELWCGDDWYOJX-HNNXBMFYSA-N 1 0 366.571 3.428 10 0 FGAERO C[NH+](C)[C@H]1CCN(C(=O)c2cc(-c3cccs3)n(-c3ccccc3)n2)C1 ZINC000151432557 495837367 /nfs/dbraw/zinc/83/73/67/495837367.db2.gz YDBIKVRZZAQXGX-INIZCTEOSA-N 1 0 366.490 3.377 10 0 FGAERO C[C@H]([NH2+]CC(=O)Nc1ccc(Br)cc1Cl)[C@@H]1CCCO1 ZINC000183113746 495840114 /nfs/dbraw/zinc/84/01/14/495840114.db2.gz VCMXHCJDKBWDRI-ZANVPECISA-N 1 0 361.667 3.198 10 0 FGAERO COc1ccc([C@@H](C)C[N@H+](C)C2CCN(CCn3cccn3)CC2)cc1 ZINC000180095506 495855682 /nfs/dbraw/zinc/85/56/82/495855682.db2.gz RIIWDMJGMBYHDQ-SFHVURJKSA-N 1 0 356.514 3.092 10 0 FGAERO C[C@H]([NH2+]CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1)[C@H]1CCCO1 ZINC000183168887 495865126 /nfs/dbraw/zinc/86/51/26/495865126.db2.gz PJLXPQDCUPUJRM-CRFBAAHOSA-N 1 0 362.470 3.250 10 0 FGAERO CN(CC1CC[NH+](C)CC1)C(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000155227997 495883780 /nfs/dbraw/zinc/88/37/80/495883780.db2.gz RUCVBBRMVNMTHL-MRXNPFEDSA-N 1 0 357.420 3.143 10 0 FGAERO CCC[C@@H](O)C[NH2+][C@@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186189703 495890650 /nfs/dbraw/zinc/89/06/50/495890650.db2.gz ADFVVDSPMLDPBM-CVEARBPZSA-N 1 0 350.260 3.079 10 0 FGAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC(F)F)c(OC)c2)C12CCOCC2 ZINC000186213823 495899104 /nfs/dbraw/zinc/89/91/04/495899104.db2.gz OTKVAJYVQLJEPS-IAGOWNOFSA-N 1 0 371.424 3.360 10 0 FGAERO Cc1nc(C[C@H]2CCC[N@H+](CCC(=O)Nc3cccc(Cl)c3)C2)no1 ZINC000171503529 495903139 /nfs/dbraw/zinc/90/31/39/495903139.db2.gz JYUKYUWSTKSRAH-CQSZACIVSA-N 1 0 362.861 3.315 10 0 FGAERO CC[C@H](CCO)C[NH2+][C@@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186244047 495911439 /nfs/dbraw/zinc/91/14/39/495911439.db2.gz ZMUOVTMBIQVFSG-DYVFJYSZSA-N 1 0 364.287 3.327 10 0 FGAERO CCc1nccn1[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(OC)cc2)C1 ZINC000171521561 495911546 /nfs/dbraw/zinc/91/15/46/495911546.db2.gz TVQDQYNYWAZUPG-QGZVFWFLSA-N 1 0 356.470 3.120 10 0 FGAERO C[C@H](CCCO)[NH2+][C@@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186245198 495911613 /nfs/dbraw/zinc/91/16/13/495911613.db2.gz VJFIVBKYWRZBAE-WBMJQRKESA-N 1 0 350.260 3.079 10 0 FGAERO Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)NCCC[NH+](C(C)C)C(C)C ZINC000174354632 495923260 /nfs/dbraw/zinc/92/32/60/495923260.db2.gz IFEVYMDRBUOOOD-GOSISDBHSA-N 1 0 363.550 3.392 10 0 FGAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(OCCOC)cc2)C12CCOCC2 ZINC000186302334 495936061 /nfs/dbraw/zinc/93/60/61/495936061.db2.gz FNEVZSLCNAEREW-PWIZWCRZSA-N 1 0 363.498 3.337 10 0 FGAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](c2ccc(C)o2)N2CCCC2)C12CCOCC2 ZINC000186306141 495939173 /nfs/dbraw/zinc/93/91/73/495939173.db2.gz YXFMEMCCXYVEAK-DFQSSKMNSA-N 1 0 362.514 3.289 10 0 FGAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(OC)c(COC)c2)C12CCOCC2 ZINC000186318765 495945716 /nfs/dbraw/zinc/94/57/16/495945716.db2.gz DJNMCNHUEIRDFZ-RYGJVYDSSA-N 1 0 363.498 3.466 10 0 FGAERO COc1ccc(Cl)cc1CN(C)C(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000171606011 495946048 /nfs/dbraw/zinc/94/60/48/495946048.db2.gz UBOHPSQPEMFBLA-SFHVURJKSA-N 1 0 360.885 3.480 10 0 FGAERO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000171643057 495961929 /nfs/dbraw/zinc/96/19/29/495961929.db2.gz KNHUCKUCHFQJHM-GBESFXJTSA-N 1 0 366.509 3.390 10 0 FGAERO C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000171645508 495964833 /nfs/dbraw/zinc/96/48/33/495964833.db2.gz BVUNCVKKXRAHME-SJLPKXTDSA-N 1 0 370.472 3.002 10 0 FGAERO CCN(C(=O)[C@H](C)[N@@H+]1CC[C@H](CNc2ccccn2)C1)c1ccccc1 ZINC000171644961 495964846 /nfs/dbraw/zinc/96/48/46/495964846.db2.gz XVEBWPKYEKKMFM-ZWKOTPCHSA-N 1 0 352.482 3.257 10 0 FGAERO CC(C)[N@H+]1C[C@H](NC(=O)c2ccc(NC(=O)c3cccs3)cc2)[C@@H](C)C1 ZINC000155480267 495969644 /nfs/dbraw/zinc/96/96/44/495969644.db2.gz XEYIKQKQTZHAGX-YOEHRIQHSA-N 1 0 371.506 3.459 10 0 FGAERO CC(=O)c1ccccc1OCC[N@@H+]1CC[C@H](CNc2cccc(C)n2)C1 ZINC000171652174 495970754 /nfs/dbraw/zinc/97/07/54/495970754.db2.gz PAHHINHZINFGLN-GOSISDBHSA-N 1 0 353.466 3.405 10 0 FGAERO CCOc1ccccc1NC(=O)CN1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000171653356 495972341 /nfs/dbraw/zinc/97/23/41/495972341.db2.gz NHGHNYWBDJUGLY-KRWDZBQOSA-N 1 0 368.481 3.161 10 0 FGAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2-n2cccn2)C12CCOCC2 ZINC000186386704 495977207 /nfs/dbraw/zinc/97/72/07/495977207.db2.gz VTRLRERGJWDXPF-PWIZWCRZSA-N 1 0 355.482 3.497 10 0 FGAERO CCO[C@@H]1C[C@H]([NH2+]CCc2cn(C)c3cc(F)ccc23)C12CCOCC2 ZINC000186411416 495988855 /nfs/dbraw/zinc/98/88/55/495988855.db2.gz CALQVQQOMNYMBJ-VQTJNVASSA-N 1 0 360.473 3.424 10 0 FGAERO CC[NH+](CC)CCOc1ccc(CNC(=O)N2CCS[C@@H](C)C2)cc1 ZINC000171739792 496014444 /nfs/dbraw/zinc/01/44/44/496014444.db2.gz XMBNAQGJKUXUIP-INIZCTEOSA-N 1 0 365.543 3.054 10 0 FGAERO C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000180489097 496019079 /nfs/dbraw/zinc/01/90/79/496019079.db2.gz MVFGTQVUCPBKKS-IERDGZPVSA-N 1 0 358.457 3.386 10 0 FGAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc3c2OCC3)C12CCOCC2 ZINC000186503218 496023245 /nfs/dbraw/zinc/02/32/45/496023245.db2.gz SGDLGEQTNJJJOV-IAGOWNOFSA-N 1 0 351.874 3.339 10 0 FGAERO COc1cc([C@H](C)[NH2+][C@@H]2CCc3nnc(C(C)C)n3C2)cc(OC)c1OC ZINC000180521280 496031209 /nfs/dbraw/zinc/03/12/09/496031209.db2.gz KCRNWQAWUAROOO-DZGCQCFKSA-N 1 0 374.485 3.093 10 0 FGAERO CCc1nc(C)c([C@@H](C)[NH2+]C[C@@H]2CCCN2c2cc(NC)ncn2)s1 ZINC000180565157 496046408 /nfs/dbraw/zinc/04/64/08/496046408.db2.gz HRJKPIOZUOHVND-OCCSQVGLSA-N 1 0 360.531 3.165 10 0 FGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H](C)c1cc(OC)c(OC)cc1C ZINC000177398755 496046693 /nfs/dbraw/zinc/04/66/93/496046693.db2.gz LTNYVDOKQMTJBG-JKSUJKDBSA-N 1 0 363.502 3.199 10 0 FGAERO CNc1cc(N2CCC[C@H]2C[NH2+][C@@H]2CCCc3cc(OC)ccc32)ncn1 ZINC000180568354 496047029 /nfs/dbraw/zinc/04/70/29/496047029.db2.gz COVZJTXLYVBKHV-QFBILLFUSA-N 1 0 367.497 3.163 10 0 FGAERO C[C@H](CNC(=O)N1CCC[C@@H](C(F)(F)F)C1)[N@H+](C)Cc1ccccc1 ZINC000171850995 496063710 /nfs/dbraw/zinc/06/37/10/496063710.db2.gz ATDVYAYXHHYMQG-GDBMZVCRSA-N 1 0 357.420 3.491 10 0 FGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cc(C)ccc1OC(F)F)CC2 ZINC000180609273 496067308 /nfs/dbraw/zinc/06/73/08/496067308.db2.gz IZSSCXSRUYIEHF-QWHCGFSZSA-N 1 0 350.413 3.416 10 0 FGAERO CN(CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)C(=O)[C@H]1CC=CCC1 ZINC000177463046 496071808 /nfs/dbraw/zinc/07/18/08/496071808.db2.gz QERIHHBXHNSZBG-SFTDATJTSA-N 1 0 356.510 3.247 10 0 FGAERO C[C@@H]([NH2+][C@H](C)c1ccc(F)c(F)c1)C(=O)NC(=O)NCc1ccccc1 ZINC000152191613 496075954 /nfs/dbraw/zinc/07/59/54/496075954.db2.gz XWVPKNXQAHCPDQ-CHWSQXEVSA-N 1 0 361.392 3.030 10 0 FGAERO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(N3CCCC3=O)cc1)CC2 ZINC000180637969 496080565 /nfs/dbraw/zinc/08/05/65/496080565.db2.gz VZGWQDYOMZYVHM-RDJZCZTQSA-N 1 0 367.497 3.194 10 0 FGAERO CC(C)c1nc([C@H]2CCCN2C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)no1 ZINC000177498459 496087276 /nfs/dbraw/zinc/08/72/76/496087276.db2.gz MICBSGAABLNZSX-HZPDHXFCSA-N 1 0 363.506 3.160 10 0 FGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000177514006 496093320 /nfs/dbraw/zinc/09/33/20/496093320.db2.gz LGWXLYLKGYVWEZ-ZWKOTPCHSA-N 1 0 366.465 3.313 10 0 FGAERO O=C([C@H]1CCCC[N@@H+]1Cc1ccccc1)N1CCO[C@H](c2nccs2)C1 ZINC000174768119 496097936 /nfs/dbraw/zinc/09/79/36/496097936.db2.gz PVHRKMQVLDOQIL-MSOLQXFVSA-N 1 0 371.506 3.098 10 0 FGAERO C[C@@H]1C[C@H](C(=O)N2CCN(c3ccc(C[NH+](C)C)cn3)CC2)CC(C)(C)C1 ZINC000183788915 496117675 /nfs/dbraw/zinc/11/76/75/496117675.db2.gz OXCLJYHXYRCJTD-MJGOQNOKSA-N 1 0 372.557 3.254 10 0 FGAERO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@H](c2nc(C)cs2)C1 ZINC000174840662 496128860 /nfs/dbraw/zinc/12/88/60/496128860.db2.gz SEVFTHABUWDFAZ-JKSUJKDBSA-N 1 0 350.532 3.215 10 0 FGAERO Cc1ccc(F)cc1C(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000174855722 496135352 /nfs/dbraw/zinc/13/53/52/496135352.db2.gz XABLEXXKDAQLTO-OAQYLSRUSA-N 1 0 370.468 3.310 10 0 FGAERO CC[NH+]1CCN(c2ccc(C(=O)N[C@@H]3CCOc4ccccc43)cc2)CC1 ZINC000172043660 496139324 /nfs/dbraw/zinc/13/93/24/496139324.db2.gz CLUCCWWLXLOGCP-HXUWFJFHSA-N 1 0 365.477 3.082 10 0 FGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(-n2cnc3ccccc32)cc1 ZINC000172057787 496145106 /nfs/dbraw/zinc/14/51/06/496145106.db2.gz BLOJGMNRHTZLOM-QFBILLFUSA-N 1 0 360.461 3.334 10 0 FGAERO CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@@H](C)c2cccs2)[C@H](C)C1 ZINC000172081212 496156282 /nfs/dbraw/zinc/15/62/82/496156282.db2.gz RRNMCZXGNDENIV-PMPSAXMXSA-N 1 0 353.532 3.245 10 0 FGAERO CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)Nc1cc(C)c(Cl)cc1OC ZINC000177709967 496167076 /nfs/dbraw/zinc/16/70/76/496167076.db2.gz RUWFWAASZYEUER-CQSZACIVSA-N 1 0 353.894 3.012 10 0 FGAERO CCC[C@H](C(=O)Nc1nc(C2CCCC2)c(C(=O)OC)s1)[NH+](C)C ZINC000186828546 496170860 /nfs/dbraw/zinc/17/08/60/496170860.db2.gz FUCMRINIWLQNOW-GFCCVEGCSA-N 1 0 353.488 3.256 10 0 FGAERO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2cccc(C(C)=O)c2)cc1OC ZINC000180864980 496176694 /nfs/dbraw/zinc/17/66/94/496176694.db2.gz IDALZHOYNNANAO-CYBMUJFWSA-N 1 0 356.422 3.196 10 0 FGAERO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2cccc(C(C)=O)c2)cc1OC ZINC000180864961 496177058 /nfs/dbraw/zinc/17/70/58/496177058.db2.gz IDALZHOYNNANAO-ZDUSSCGKSA-N 1 0 356.422 3.196 10 0 FGAERO COc1ccc(OCc2nc(CN3CC[N@@H+]4CCCC[C@@H]4C3)cs2)cc1 ZINC000177752738 496182096 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CCCCN1CCOC[C@H]1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000184254251 496305793 /nfs/dbraw/zinc/30/57/93/496305793.db2.gz MQLRZGAJJJLANU-FQEVSTJZSA-N 1 0 359.514 3.112 10 0 FGAERO Cc1cnn([C@@H]2CCC[N@H+](C[C@H](O)Cc3ccccc3C(F)(F)F)C2)c1 ZINC000152962961 496308962 /nfs/dbraw/zinc/30/89/62/496308962.db2.gz CNZVSJDZUVMNAF-IAGOWNOFSA-N 1 0 367.415 3.451 10 0 FGAERO CCCn1ccc2cc(NC(=O)N3CC[N@H+](C[C@@H](C)O)[C@@H](CC)C3)ccc21 ZINC000181204268 496310883 /nfs/dbraw/zinc/31/08/83/496310883.db2.gz WYMFNDIBEYSRKJ-APWZRJJASA-N 1 0 372.513 3.360 10 0 FGAERO C[C@@H]1CC[C@H](NC(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)c2ccccc21 ZINC000153080528 496346561 /nfs/dbraw/zinc/34/65/61/496346561.db2.gz OKPBTUQDGYIJNW-UTKZUKDTSA-N 1 0 372.557 3.292 10 0 FGAERO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000181326743 496355098 /nfs/dbraw/zinc/35/50/98/496355098.db2.gz CGECZWWQWVOUJF-ZBFHGGJFSA-N 1 0 357.420 3.491 10 0 FGAERO C[NH+](C)C[C@@H](NC(=O)N[C@@H](CCCO)c1ccccc1)c1ccccc1 ZINC000153111423 496356493 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3.315 10 0 FGAERO Cc1cc(C)cc(CC[NH2+]Cc2c(C(C)C)nn(C)c2N2CCOCC2)c1 ZINC000124052237 495227008 /nfs/dbraw/zinc/22/70/08/495227008.db2.gz VNPGELKLBSSRBN-UHFFFAOYSA-N 1 0 370.541 3.329 10 0 FGAERO CC(=O)N(Cc1ccc(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1)C(C)C ZINC000124072716 495230074 /nfs/dbraw/zinc/23/00/74/495230074.db2.gz ZFOXJQPMWOXQPT-UZLBHIALSA-N 1 0 374.529 3.294 10 0 FGAERO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000103477362 495239820 /nfs/dbraw/zinc/23/98/20/495239820.db2.gz OSTKZQAVRDRREM-CQSZACIVSA-N 1 0 362.861 3.102 10 0 FGAERO COCCN(Cc1cc(C[NH2+]C2CC2)cc(OC)c1)C(=O)OC(C)(C)C ZINC000113098936 495274582 /nfs/dbraw/zinc/27/45/82/495274582.db2.gz YZUORCNJLFAEMZ-UHFFFAOYSA-N 1 0 364.486 3.331 10 0 FGAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NC1CCN(c2ccccc2)CC1 ZINC000124354273 495275089 /nfs/dbraw/zinc/27/50/89/495275089.db2.gz VXLXNKKSUJBMJB-HXUWFJFHSA-N 1 0 358.530 3.075 10 0 FGAERO CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000124374490 495278229 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10 0 FGAERO COC(=O)C1CCC(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000179482732 495609167 /nfs/dbraw/zinc/60/91/67/495609167.db2.gz AFGYSMLAIOXVHS-MHJFOBGBSA-N 1 0 372.509 3.137 10 0 FGAERO COC(=O)C1CCC(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000179482742 495609351 /nfs/dbraw/zinc/60/93/51/495609351.db2.gz AFGYSMLAIOXVHS-SOAGJPPSSA-N 1 0 372.509 3.137 10 0 FGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccc(-c2nccc(C)n2)cc1 ZINC000176355635 495617761 /nfs/dbraw/zinc/61/77/61/495617761.db2.gz DJRDBTHBPBWFAU-SFHVURJKSA-N 1 0 353.470 3.400 10 0 FGAERO CCOCc1cc(C[N@@H+]2CCC[C@H](Cn3nc(C)nc3C)C2)ccc1OC ZINC000179529412 495628829 /nfs/dbraw/zinc/62/88/29/495628829.db2.gz UIYCHVSIMCMPKU-IBGZPJMESA-N 1 0 372.513 3.352 10 0 FGAERO Cc1nn(Cc2ccccc2)c2sc(C(=O)N3CC[C@H]([NH+](C)C)C3)cc12 ZINC000170858702 495630570 /nfs/dbraw/zinc/63/05/70/495630570.db2.gz RPQBBJFMKLUOSL-INIZCTEOSA-N 1 0 368.506 3.231 10 0 FGAERO CCO[C@H]1C[C@H]([NH2+]Cc2c(Cl)n(C)nc2C(C)C)C12CCOCC2 ZINC000185651671 495663319 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10 0 FGAERO O=C(c1cccc(Nc2cnccn2)c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000154751181 495717439 /nfs/dbraw/zinc/71/74/39/495717439.db2.gz NIOYKTIPKDETLV-UHFFFAOYSA-N 1 0 365.481 3.311 10 0 FGAERO CCn1c(C)nnc1CN(Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC000154760022 495719191 /nfs/dbraw/zinc/71/91/91/495719191.db2.gz PRCZXHJEECYRDF-GOSISDBHSA-N 1 0 356.495 3.404 10 0 FGAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCC2(CCOCc3ccccc3)CC2)C1 ZINC000185820345 495737402 /nfs/dbraw/zinc/73/74/02/495737402.db2.gz CCRAIQRMZLHARN-LJQANCHMSA-N 1 0 359.514 3.157 10 0 FGAERO CCC[C@H](C(=O)NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1)[NH+](C)C ZINC000154878725 495758680 /nfs/dbraw/zinc/75/86/80/495758680.db2.gz RVFLQACHJHUBNH-LJQANCHMSA-N 1 0 371.456 3.425 10 0 FGAERO C[NH+](C)C[C@H](NC(=O)Nc1ccc(-c2ncon2)cc1)c1ccccc1 ZINC000171185407 495759531 /nfs/dbraw/zinc/75/95/31/495759531.db2.gz OIANYLDLGZCFKA-KRWDZBQOSA-N 1 0 351.410 3.161 10 0 FGAERO CC(C)[C@H](C(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1)[NH+]1CCCCC1 ZINC000154896302 495764384 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CCCc1c(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cnn1-c1ccccc1 ZINC000183091665 495832115 /nfs/dbraw/zinc/83/21/15/495832115.db2.gz YDSATZFQKDDADG-LPHOPBHVSA-N 1 0 354.498 3.283 10 0 FGAERO CC(C)(C)OC(=O)c1cccc(C[N@@H+]2CCCN(c3cccnn3)CC2)c1 ZINC000180092000 495854166 /nfs/dbraw/zinc/85/41/66/495854166.db2.gz YILPJEKFGAGXNZ-UHFFFAOYSA-N 1 0 368.481 3.144 10 0 FGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1 ZINC000176991952 495873893 /nfs/dbraw/zinc/87/38/93/495873893.db2.gz MUJLUSWYDFDULB-KRWDZBQOSA-N 1 0 370.497 3.001 10 0 FGAERO CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000171454281 495880836 /nfs/dbraw/zinc/88/08/36/495880836.db2.gz VDBKPWZKDVHUMA-FQEVSTJZSA-N 1 0 369.513 3.309 10 0 FGAERO COC(=O)C1CCC(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000180166270 495888147 /nfs/dbraw/zinc/88/81/47/495888147.db2.gz QCEXDOPARSKZAU-VIQWUECVSA-N 1 0 364.530 3.080 10 0 FGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CCCc1nc(-c2cccs2)no1 ZINC000177029410 495891306 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3.075 10 0 FGAERO CCO[C@H]1C[C@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)C12CCOCC2 ZINC000186280152 495925849 /nfs/dbraw/zinc/92/58/49/495925849.db2.gz AXYLUXYIMCRZDU-IRXDYDNUSA-N 1 0 367.873 3.175 10 0 FGAERO Cc1cc(Br)ccc1NC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000177103108 495926735 /nfs/dbraw/zinc/92/67/35/495926735.db2.gz AELWCBSVYPQHGO-GXTWGEPZSA-N 1 0 352.276 3.458 10 0 FGAERO Cc1csc([C@H]2CCCN(C(=O)NC[C@H](C)[NH+]3CCC(C)CC3)C2)n1 ZINC000174385560 495936746 /nfs/dbraw/zinc/93/67/46/495936746.db2.gz VPAFZXMRSNMBKB-IRXDYDNUSA-N 1 0 364.559 3.461 10 0 FGAERO O=C(Nc1ccc(OCC2CCOCC2)cc1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000151766574 495940473 /nfs/dbraw/zinc/94/04/73/495940473.db2.gz SYTZFBZXACJKBO-IBGZPJMESA-N 1 0 373.497 3.194 10 0 FGAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)CC(=O)Nc2ccccc2C)C12CCOCC2 ZINC000186309507 495940939 /nfs/dbraw/zinc/94/09/39/495940939.db2.gz NMIRXVQQKCDHRR-YTQUADARSA-N 1 0 360.498 3.276 10 0 FGAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](c2c(F)cccc2F)N(C)C)C12CCOCC2 ZINC000186339486 495955703 /nfs/dbraw/zinc/95/57/03/495955703.db2.gz WTKIZCWZOWBDCC-RCCFBDPRSA-N 1 0 368.468 3.131 10 0 FGAERO CCO[C@@H]1C[C@H]([NH2+]CCNc2ncc(Cl)cc2Cl)C12CCOCC2 ZINC000186355249 495962226 /nfs/dbraw/zinc/96/22/26/495962226.db2.gz AECLTNXNTJVPAQ-LSDHHAIUSA-N 1 0 374.312 3.364 10 0 FGAERO C[C@@H](C(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)c1ccccc1 ZINC000183393179 495962520 /nfs/dbraw/zinc/96/25/20/495962520.db2.gz LOPDYYNQMNMEDM-XMSQKQJNSA-N 1 0 366.505 3.352 10 0 FGAERO C[C@H](C(=O)NCCC1=CCCCC1)[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000171644929 495963579 /nfs/dbraw/zinc/96/35/79/495963579.db2.gz RAXSUIVTFMGVTF-IEBWSBKVSA-N 1 0 356.514 3.211 10 0 FGAERO CCO[C@@H]1C[C@H]([NH2+]CCc2nc(C(F)(F)F)cs2)C12CCOCC2 ZINC000186365954 495966953 /nfs/dbraw/zinc/96/69/53/495966953.db2.gz HFRHNVIXSJOLMX-WCQYABFASA-N 1 0 364.433 3.268 10 0 FGAERO C[C@H]1CN(Cc2csc(Nc3ccccc3)n2)C[C@@H]1N1CCOCC1 ZINC000177238333 495989564 /nfs/dbraw/zinc/98/95/64/495989564.db2.gz ZWBBAYGBABNIJC-YJBOKZPZSA-N 1 0 358.511 3.039 10 0 FGAERO CC[N@@H+]1CCC[C@H](Nc2ncccc2C(=O)N2CCc3ccccc32)C1 ZINC000180422779 495991618 /nfs/dbraw/zinc/99/16/18/495991618.db2.gz RPOSLPKIRLXHPG-KRWDZBQOSA-N 1 0 350.466 3.181 10 0 FGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000155565492 495996894 /nfs/dbraw/zinc/99/68/94/495996894.db2.gz LNVDCHQBOZCTPW-ZTNFWEORSA-N 1 0 368.456 3.188 10 0 FGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1ccc(OCC(F)(F)F)cc1 ZINC000177324594 496018423 /nfs/dbraw/zinc/01/84/23/496018423.db2.gz CWVIJPIIHWXTCY-HNNXBMFYSA-N 1 0 373.419 3.253 10 0 FGAERO C[C@@H]1C[C@@H](NC(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)C[N@@H+]1C1CC1 ZINC000152012436 496021861 /nfs/dbraw/zinc/02/18/61/496021861.db2.gz XTLZNHQYFDJTOH-XPKDYRNWSA-N 1 0 355.404 3.084 10 0 FGAERO CC(C)c1nc([C@H]2CCCN2C(=O)NCC[NH+](C(C)C)C(C)C)no1 ZINC000177345091 496025271 /nfs/dbraw/zinc/02/52/71/496025271.db2.gz RBSHZNRTCSXKNZ-OAHLLOKOSA-N 1 0 351.495 3.158 10 0 FGAERO CCC[NH+](CCC)CCCNC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000171803573 496042325 /nfs/dbraw/zinc/04/23/25/496042325.db2.gz BRNJFHQBTDYOOE-TZIWHRDSSA-N 1 0 373.541 3.224 10 0 FGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@@H](C)c1cc(OC)c(OC)cc1C ZINC000177398770 496046948 /nfs/dbraw/zinc/04/69/48/496046948.db2.gz LTNYVDOKQMTJBG-HOTGVXAUSA-N 1 0 363.502 3.199 10 0 FGAERO C[C@@H]1COCCN1c1ccc(NC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)cc1 ZINC000152100398 496047233 /nfs/dbraw/zinc/04/72/33/496047233.db2.gz VYWIEHFNOWYUQO-DYESRHJHSA-N 1 0 367.493 3.023 10 0 FGAERO CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2ccc3ccccc3n2)ncn1 ZINC000180569116 496048572 /nfs/dbraw/zinc/04/85/72/496048572.db2.gz LQQDVUAWGAKTGY-DOTOQJQBSA-N 1 0 362.481 3.386 10 0 FGAERO CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)N(C)C[C@H]2CCC[N@@H+]2CC)c1 ZINC000177417358 496054905 /nfs/dbraw/zinc/05/49/05/496054905.db2.gz IELCOAARHMMQMN-VQIMIIECSA-N 1 0 374.529 3.297 10 0 FGAERO CN1C(=O)CC[C@H](C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)[C@@H]1c1ccccc1 ZINC000171852158 496063565 /nfs/dbraw/zinc/06/35/65/496063565.db2.gz WKJHZBWGJWKXCW-HKUYNNGSSA-N 1 0 371.525 3.022 10 0 FGAERO CSc1ccccc1C[C@H](C)[NH2+][C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000183662868 496067836 /nfs/dbraw/zinc/06/78/36/496067836.db2.gz PVMMGZKSXGLBPA-YOEHRIQHSA-N 1 0 372.538 3.167 10 0 FGAERO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[NH2+][C@@H](CO)c1ccccc1 ZINC000183663000 496068000 /nfs/dbraw/zinc/06/80/00/496068000.db2.gz IDHVXWOFAWJVNT-DYVFJYSZSA-N 1 0 362.857 3.307 10 0 FGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1ccc(Oc2ccccc2)nc1 ZINC000177455796 496068379 /nfs/dbraw/zinc/06/83/79/496068379.db2.gz GVMHAIAUFJAECZ-SFHVURJKSA-N 1 0 368.481 3.500 10 0 FGAERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(N3CCCC3=O)cc1)CC2 ZINC000180637985 496080006 /nfs/dbraw/zinc/08/00/06/496080006.db2.gz VZGWQDYOMZYVHM-NVXWUHKLSA-N 1 0 367.497 3.194 10 0 FGAERO COc1cccc(NC(=O)CC[N@@H+]2CC[C@@H](CNc3cccc(C)n3)C2)c1 ZINC000174766149 496097468 /nfs/dbraw/zinc/09/74/68/496097468.db2.gz NLYWNSUWAYYYJT-KRWDZBQOSA-N 1 0 368.481 3.161 10 0 FGAERO CC(C)c1nc([C@@H]2CCCN2C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)no1 ZINC000177527851 496098742 /nfs/dbraw/zinc/09/87/42/496098742.db2.gz RONQMPXXXIHINX-GJZGRUSLSA-N 1 0 365.522 3.406 10 0 FGAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C(=O)c3cccc(OC)c3)cc2)C1 ZINC000186674177 496102913 /nfs/dbraw/zinc/10/29/13/496102913.db2.gz PVFOHFHSBKQCJI-LJQANCHMSA-N 1 0 366.461 3.140 10 0 FGAERO CCC[C@H](C(=O)N1CCc2c(Br)ccc(F)c2C1)[NH+](C)C ZINC000183761503 496107525 /nfs/dbraw/zinc/10/75/25/496107525.db2.gz NSLVVBSYKODURK-OAHLLOKOSA-N 1 0 357.267 3.203 10 0 FGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1csc(-c2c(F)cccc2F)n1 ZINC000172059944 496145964 /nfs/dbraw/zinc/14/59/64/496145964.db2.gz QGPGTBRUVZOSEB-NWDGAFQWSA-N 1 0 363.433 3.397 10 0 FGAERO O=C(COc1ccccc1C[NH2+][C@H]1CCOc2ccccc21)NCC1CC1 ZINC000172063312 496148641 /nfs/dbraw/zinc/14/86/41/496148641.db2.gz QOJYFXXZLKQCBZ-IBGZPJMESA-N 1 0 366.461 3.205 10 0 FGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)c1cc(C)n(CC(F)(F)F)c1C ZINC000180826745 496161457 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