smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)[N@@H+]1C[C@@H](C)[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC000246184388 713619094 /nfs/dbraw/zinc/61/90/94/713619094.db2.gz HIBIWOURWQBWMB-AJYUKVHDSA-N 2 2 351.535 3.235 10 0 FGAELP CC(C)[N@H+]1C[C@@H](C)[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC000246184388 713619098 /nfs/dbraw/zinc/61/90/98/713619098.db2.gz HIBIWOURWQBWMB-AJYUKVHDSA-N 2 2 351.535 3.235 10 0 FGAELP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000310475590 713798852 /nfs/dbraw/zinc/79/88/52/713798852.db2.gz NOTYEGBINOOPHB-IAGOWNOFSA-N 2 2 350.507 3.289 10 0 FGAELP CC(C)(C)OC(=O)NC1CC(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)C1 ZINC000711386855 722413944 /nfs/dbraw/zinc/41/39/44/722413944.db2.gz WSEBEPLKUANRQR-GPANFISMSA-N 2 2 350.507 3.191 10 0 FGAELP CC(C)c1cnc(C[N@@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C)c3)C2)s1 ZINC000886052881 739212563 /nfs/dbraw/zinc/21/25/63/739212563.db2.gz HCIBQVZGMOOBBL-QGZVFWFLSA-N 2 2 360.527 3.376 10 0 FGAELP CC(C)c1cnc(C[N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C)c3)C2)s1 ZINC000886052881 739212567 /nfs/dbraw/zinc/21/25/67/739212567.db2.gz HCIBQVZGMOOBBL-QGZVFWFLSA-N 2 2 360.527 3.376 10 0 FGAELP Cc1ccc(N2CCC([N@@H+]3CCCn4nc(C[NH+](C)C)cc4C3)CC2)cc1 ZINC000072154842 136142958 /nfs/dbraw/zinc/14/29/58/136142958.db2.gz UXBQTBRQQNZBDE-UHFFFAOYSA-N 2 2 367.541 3.128 10 0 FGAELP Cc1ccc(N2CCC([N@H+]3CCCn4nc(C[NH+](C)C)cc4C3)CC2)cc1 ZINC000072154842 136142959 /nfs/dbraw/zinc/14/29/59/136142959.db2.gz UXBQTBRQQNZBDE-UHFFFAOYSA-N 2 2 367.541 3.128 10 0 FGAELP C[NH+]1CCN(c2cc3cnn(-c4ccc(F)cc4)c3c3cc[nH+]cc32)CC1 ZINC000043204082 494276960 /nfs/dbraw/zinc/27/69/60/494276960.db2.gz LBTYSQJQYXYHSY-UHFFFAOYSA-N 2 2 361.424 3.465 10 0 FGAELP CC[N@@H+](Cc1c(C)nn(C)c1OC)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818796 494925099 /nfs/dbraw/zinc/92/50/99/494925099.db2.gz UWFKIUZWVSTAIJ-IBGZPJMESA-N 2 2 356.514 3.081 10 0 FGAELP CC[N@H+](Cc1c(C)nn(C)c1OC)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818796 494925102 /nfs/dbraw/zinc/92/51/02/494925102.db2.gz UWFKIUZWVSTAIJ-IBGZPJMESA-N 2 2 356.514 3.081 10 0 FGAELP CC[NH+](Cc1c(C)nn(C)c1OC)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093818796 494925105 /nfs/dbraw/zinc/92/51/05/494925105.db2.gz UWFKIUZWVSTAIJ-IBGZPJMESA-N 2 2 356.514 3.081 10 0 FGAELP CC[NH+](Cc1c(C)nn(C)c1OC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093818796 494925106 /nfs/dbraw/zinc/92/51/06/494925106.db2.gz UWFKIUZWVSTAIJ-IBGZPJMESA-N 2 2 356.514 3.081 10 0 FGAELP Cc1[nH+]ccn1-c1ccc(CNc2cc(N3CCC[C@@H](C)C3)nc[nH+]2)cn1 ZINC000110253044 494961649 /nfs/dbraw/zinc/96/16/49/494961649.db2.gz COMDPLSVADMRKH-OAHLLOKOSA-N 2 2 363.469 3.214 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cc(OC)c(OC)c(OC)c2)C1 ZINC000122931860 495055015 /nfs/dbraw/zinc/05/50/15/495055015.db2.gz BQLIYWWCTMEJHG-INIZCTEOSA-N 2 2 359.470 3.308 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cc(OC)c(OC)c(OC)c2)C1 ZINC000122931860 495055016 /nfs/dbraw/zinc/05/50/16/495055016.db2.gz BQLIYWWCTMEJHG-INIZCTEOSA-N 2 2 359.470 3.308 10 0 FGAELP COc1ccc(C)cc1[C@@H](C)[NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000098143870 495061471 /nfs/dbraw/zinc/06/14/71/495061471.db2.gz HSMNJFKPNDTWFK-XLIONFOSSA-N 2 2 354.494 3.073 10 0 FGAELP COc1ccc(C)cc1[C@@H](C)[NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000098143870 495061476 /nfs/dbraw/zinc/06/14/76/495061476.db2.gz HSMNJFKPNDTWFK-XLIONFOSSA-N 2 2 354.494 3.073 10 0 FGAELP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000103473738 495237411 /nfs/dbraw/zinc/23/74/11/495237411.db2.gz YNLDMRRGJDFZQQ-QZTJIDSGSA-N 2 2 352.482 3.459 10 0 FGAELP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000103473738 495237413 /nfs/dbraw/zinc/23/74/13/495237413.db2.gz YNLDMRRGJDFZQQ-QZTJIDSGSA-N 2 2 352.482 3.459 10 0 FGAELP O=C1[C@H]([N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CCCN1c1ccccc1F ZINC000159135391 495666860 /nfs/dbraw/zinc/66/68/60/495666860.db2.gz YFZHFIJEKVWVIX-VQIMIIECSA-N 2 2 368.456 3.150 10 0 FGAELP O=C1[C@H]([N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CCCN1c1ccccc1F ZINC000159135391 495666867 /nfs/dbraw/zinc/66/68/67/495666867.db2.gz YFZHFIJEKVWVIX-VQIMIIECSA-N 2 2 368.456 3.150 10 0 FGAELP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1cc(Cl)ccc1OC(F)F ZINC000151321133 495804699 /nfs/dbraw/zinc/80/46/99/495804699.db2.gz QVUOQIZXXUVQAN-GXTWGEPZSA-N 2 2 362.848 3.439 10 0 FGAELP CCO[C@@H]1C[C@@H]([NH2+]CC(C)(C)[N@@H+]2CCc3ccccc3C2)C12CCOCC2 ZINC000186279651 495926289 /nfs/dbraw/zinc/92/62/89/495926289.db2.gz SFLGZYSCRPDHED-NHCUHLMSSA-N 2 2 372.553 3.387 10 0 FGAELP CCO[C@@H]1C[C@@H]([NH2+]CC(C)(C)[N@H+]2CCc3ccccc3C2)C12CCOCC2 ZINC000186279651 495926297 /nfs/dbraw/zinc/92/62/97/495926297.db2.gz SFLGZYSCRPDHED-NHCUHLMSSA-N 2 2 372.553 3.387 10 0 FGAELP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)C[N@@H+]1CCc3ccccc3C1)CCCO2 ZINC000151790623 495949350 /nfs/dbraw/zinc/94/93/50/495949350.db2.gz HQMWVDHUFZDPJH-UNMCSNQZSA-N 2 2 366.505 3.218 10 0 FGAELP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)C[N@H+]1CCc3ccccc3C1)CCCO2 ZINC000151790623 495949357 /nfs/dbraw/zinc/94/93/57/495949357.db2.gz HQMWVDHUFZDPJH-UNMCSNQZSA-N 2 2 366.505 3.218 10 0 FGAELP C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171644210 495961717 /nfs/dbraw/zinc/96/17/17/495961717.db2.gz DEIRHNRCYKGVRE-UONOGXRCSA-N 2 2 360.408 3.121 10 0 FGAELP C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171644210 495961725 /nfs/dbraw/zinc/96/17/25/495961725.db2.gz DEIRHNRCYKGVRE-UONOGXRCSA-N 2 2 360.408 3.121 10 0 FGAELP O=C(C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)Nc1cc(Cl)ccc1F ZINC000171645923 495964971 /nfs/dbraw/zinc/96/49/71/495964971.db2.gz FPNMPCCZCKVZPK-CYBMUJFWSA-N 2 2 362.836 3.247 10 0 FGAELP O=C(C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)Nc1cc(Cl)ccc1F ZINC000171645923 495964979 /nfs/dbraw/zinc/96/49/79/495964979.db2.gz FPNMPCCZCKVZPK-CYBMUJFWSA-N 2 2 362.836 3.247 10 0 FGAELP COc1ccc(NC(=O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1Cl ZINC000171647961 495966431 /nfs/dbraw/zinc/96/64/31/495966431.db2.gz YMVLBBATXBJKGF-CQSZACIVSA-N 2 2 374.872 3.116 10 0 FGAELP COc1ccc(NC(=O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1Cl ZINC000171647961 495966437 /nfs/dbraw/zinc/96/64/37/495966437.db2.gz YMVLBBATXBJKGF-CQSZACIVSA-N 2 2 374.872 3.116 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)Nc3ccc(Cl)cc3)C2)[nH+]1 ZINC000171653231 495972049 /nfs/dbraw/zinc/97/20/49/495972049.db2.gz SXOWMNRGJADUHI-OAHLLOKOSA-N 2 2 358.873 3.416 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)Nc3ccc(Cl)cc3)C2)[nH+]1 ZINC000171653231 495972052 /nfs/dbraw/zinc/97/20/52/495972052.db2.gz SXOWMNRGJADUHI-OAHLLOKOSA-N 2 2 358.873 3.416 10 0 FGAELP Cc1cc(C)cc(NC(=O)C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)c1 ZINC000171653392 495972845 /nfs/dbraw/zinc/97/28/45/495972845.db2.gz AOSNSJBHCZJHCC-GOSISDBHSA-N 2 2 352.482 3.379 10 0 FGAELP Cc1cc(C)cc(NC(=O)C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)c1 ZINC000171653392 495972852 /nfs/dbraw/zinc/97/28/52/495972852.db2.gz AOSNSJBHCZJHCC-GOSISDBHSA-N 2 2 352.482 3.379 10 0 FGAELP CCc1nc2c(s1)[C@@H]([NH2+]C[C@@H]1CCCN1c1cc(NC)[nH+]cn1)CCC2 ZINC000180578000 496052161 /nfs/dbraw/zinc/05/21/61/496052161.db2.gz AVTZWMFOGUXJQV-KBPBESRZSA-N 2 2 372.542 3.173 10 0 FGAELP C[C@H]([NH2+]CCC(=O)Nc1cc(N)ccc1F)c1cccc(-n2cc[nH+]c2)c1 ZINC000180658924 496091328 /nfs/dbraw/zinc/09/13/28/496091328.db2.gz OYHKSIMFSBEFHO-AWEZNQCLSA-N 2 2 367.428 3.273 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1cc(Cl)ccc1F ZINC000178322106 496412641 /nfs/dbraw/zinc/41/26/41/496412641.db2.gz DZJVHHQRCCYTFP-WFASDCNBSA-N 2 2 364.852 3.476 10 0 FGAELP COC(=O)[C@@H](c1ccccc1C)[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000163011188 496449237 /nfs/dbraw/zinc/44/92/37/496449237.db2.gz PUFJVDHHPGHKMK-YLJYHZDGSA-N 2 2 353.466 3.347 10 0 FGAELP COC(=O)[C@@H](c1ccccc1C)[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000163011188 496449242 /nfs/dbraw/zinc/44/92/42/496449242.db2.gz PUFJVDHHPGHKMK-YLJYHZDGSA-N 2 2 353.466 3.347 10 0 FGAELP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1cc(Br)ccc1F ZINC000178519150 496484507 /nfs/dbraw/zinc/48/45/07/496484507.db2.gz WDQYQGLYWOMGRR-GXTWGEPZSA-N 2 2 359.283 3.086 10 0 FGAELP C[C@H](NC(=O)NC[C@H](c1ccco1)[NH+](C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173354056 496656580 /nfs/dbraw/zinc/65/65/80/496656580.db2.gz CLQDPBMRFMILBG-MAUKXSAKSA-N 2 2 367.453 3.128 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2)C1 ZINC000247815795 496918572 /nfs/dbraw/zinc/91/85/72/496918572.db2.gz WEFKVPLFCYYUBW-DLBZAZTESA-N 2 2 363.889 3.176 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2)C1 ZINC000247815795 496918577 /nfs/dbraw/zinc/91/85/77/496918577.db2.gz WEFKVPLFCYYUBW-DLBZAZTESA-N 2 2 363.889 3.176 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCC(=O)N2CCc3ccccc3C2)C1 ZINC000189013467 496978815 /nfs/dbraw/zinc/97/88/15/496978815.db2.gz FEZZPSNPJSNMGF-HXUWFJFHSA-N 2 2 366.509 3.057 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCC(=O)N2CCc3ccccc3C2)C1 ZINC000189013467 496978823 /nfs/dbraw/zinc/97/88/23/496978823.db2.gz FEZZPSNPJSNMGF-HXUWFJFHSA-N 2 2 366.509 3.057 10 0 FGAELP C[C@H]1C[C@H](C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)CC(C)(C)C1 ZINC000248536973 497033636 /nfs/dbraw/zinc/03/36/36/497033636.db2.gz HCIPQHLQTAMSMV-BKNJSMIZSA-N 2 2 361.574 3.218 10 0 FGAELP C[C@H]1C[C@H](C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CC(C)(C)C1 ZINC000248536973 497033638 /nfs/dbraw/zinc/03/36/38/497033638.db2.gz HCIPQHLQTAMSMV-BKNJSMIZSA-N 2 2 361.574 3.218 10 0 FGAELP CC(C)N(C)c1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)cn1 ZINC000248903113 497131473 /nfs/dbraw/zinc/13/14/73/497131473.db2.gz VXWWNRXLVMHZQW-NRFANRHFSA-N 2 2 367.541 3.275 10 0 FGAELP CC(C)N(C)c1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)cn1 ZINC000248903113 497131478 /nfs/dbraw/zinc/13/14/78/497131478.db2.gz VXWWNRXLVMHZQW-NRFANRHFSA-N 2 2 367.541 3.275 10 0 FGAELP CC(C)N(C)c1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)cn1 ZINC000248903113 497131487 /nfs/dbraw/zinc/13/14/87/497131487.db2.gz VXWWNRXLVMHZQW-NRFANRHFSA-N 2 2 367.541 3.275 10 0 FGAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H]2CCCc3c(OC)cccc32)nc[nH+]1 ZINC000249551667 497220926 /nfs/dbraw/zinc/22/09/26/497220926.db2.gz LCBUWJOOFHHMCO-YJBOKZPZSA-N 2 2 367.497 3.163 10 0 FGAELP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(Br)c(Br)c3)C[C@H]12 ZINC000261564378 497416069 /nfs/dbraw/zinc/41/60/69/497416069.db2.gz HHVWEQZMPNBRKH-UHIISALHSA-N 2 2 374.120 3.381 10 0 FGAELP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(Br)c(Br)c3)C[C@H]12 ZINC000261564378 497416073 /nfs/dbraw/zinc/41/60/73/497416073.db2.gz HHVWEQZMPNBRKH-UHIISALHSA-N 2 2 374.120 3.381 10 0 FGAELP CC[N@H+](CC(=O)OC(C)(C)C)C1CCN(Cc2[nH+]ccn2C(C)C)CC1 ZINC000190350980 497446793 /nfs/dbraw/zinc/44/67/93/497446793.db2.gz MFOVVXUZWXJPOE-UHFFFAOYSA-N 2 2 364.534 3.092 10 0 FGAELP CC[N@@H+](CC(=O)OC(C)(C)C)C1CCN(Cc2[nH+]ccn2C(C)C)CC1 ZINC000190350980 497446799 /nfs/dbraw/zinc/44/67/99/497446799.db2.gz MFOVVXUZWXJPOE-UHFFFAOYSA-N 2 2 364.534 3.092 10 0 FGAELP CSc1cccc(NC(=O)C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1 ZINC000261862953 497463625 /nfs/dbraw/zinc/46/36/25/497463625.db2.gz WMPNVHQGRJJEGX-APWZRJJASA-N 2 2 355.507 3.021 10 0 FGAELP CSc1cccc(NC(=O)C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1 ZINC000261862953 497463634 /nfs/dbraw/zinc/46/36/34/497463634.db2.gz WMPNVHQGRJJEGX-APWZRJJASA-N 2 2 355.507 3.021 10 0 FGAELP CC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000246214471 497663615 /nfs/dbraw/zinc/66/36/15/497663615.db2.gz ZXPYOJZYDFHUQO-RDJZCZTQSA-N 2 2 366.465 3.045 10 0 FGAELP CC(=O)c1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000246214471 497663622 /nfs/dbraw/zinc/66/36/22/497663622.db2.gz ZXPYOJZYDFHUQO-RDJZCZTQSA-N 2 2 366.465 3.045 10 0 FGAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H]2CCCc3cc(OC)ccc32)nc[nH+]1 ZINC000246293088 497685991 /nfs/dbraw/zinc/68/59/91/497685991.db2.gz COVZJTXLYVBKHV-APWZRJJASA-N 2 2 367.497 3.163 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H](C)C(=O)Nc1cc(Cl)ccc1F ZINC000246888906 497818769 /nfs/dbraw/zinc/81/87/69/497818769.db2.gz DZJVHHQRCCYTFP-IUODEOHRSA-N 2 2 364.852 3.476 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H](C)C(=O)Nc1cc(Cl)ccc1F ZINC000246888906 497818770 /nfs/dbraw/zinc/81/87/70/497818770.db2.gz DZJVHHQRCCYTFP-IUODEOHRSA-N 2 2 364.852 3.476 10 0 FGAELP COc1cccc2c1[nH+]cc(C)c2N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000302658024 498525455 /nfs/dbraw/zinc/52/54/55/498525455.db2.gz OMAOEACNVLDPFN-MRXNPFEDSA-N 2 2 357.498 3.081 10 0 FGAELP [NH3+][C@@H]1CC[N@H+](Cc2cccc(Oc3cccc(C(F)(F)F)c3)c2)C[C@H]1O ZINC000082098794 527363570 /nfs/dbraw/zinc/36/35/70/527363570.db2.gz CJHFCUZGCHLALO-QZTJIDSGSA-N 2 2 366.383 3.392 10 0 FGAELP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(Oc3cccc(C(F)(F)F)c3)c2)C[C@H]1O ZINC000082098794 527363581 /nfs/dbraw/zinc/36/35/81/527363581.db2.gz CJHFCUZGCHLALO-QZTJIDSGSA-N 2 2 366.383 3.392 10 0 FGAELP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2csc(C(C)(C)C)n2)nc[nH+]1 ZINC000109070374 700529802 /nfs/dbraw/zinc/52/98/02/700529802.db2.gz MALBXMXUUPGLSN-CQSZACIVSA-N 2 2 360.531 3.031 10 0 FGAELP C[C@@H](NC(=O)NC1CCC(C[NH+](C)C)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000121265430 494674922 /nfs/dbraw/zinc/67/49/22/494674922.db2.gz ITPYAWOBIRCNAU-LRYGQEGESA-N 2 2 369.513 3.353 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccc(O[C@@H](C)C(=O)OC)cc2)C1 ZINC000122947457 495057108 /nfs/dbraw/zinc/05/71/08/495057108.db2.gz WDTLZJVYEKSQLY-FUHWJXTLSA-N 2 2 371.481 3.223 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccc(O[C@@H](C)C(=O)OC)cc2)C1 ZINC000122947457 495057112 /nfs/dbraw/zinc/05/71/12/495057112.db2.gz WDTLZJVYEKSQLY-FUHWJXTLSA-N 2 2 371.481 3.223 10 0 FGAELP CCC[NH+](CCC)CCCNC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000112748528 495235651 /nfs/dbraw/zinc/23/56/51/495235651.db2.gz CWXUPFXNTPUFFO-UHFFFAOYSA-N 2 2 363.550 3.123 10 0 FGAELP C[N@H+](Cc1ccc(OC(F)F)cc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000106128510 495417987 /nfs/dbraw/zinc/41/79/87/495417987.db2.gz QQCIDOHZQMZANZ-UHFFFAOYSA-N 2 2 364.440 3.081 10 0 FGAELP C[N@@H+](Cc1ccc(OC(F)F)cc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000106128510 495417994 /nfs/dbraw/zinc/41/79/94/495417994.db2.gz QQCIDOHZQMZANZ-UHFFFAOYSA-N 2 2 364.440 3.081 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)C1 ZINC000106214508 495432389 /nfs/dbraw/zinc/43/23/89/495432389.db2.gz AVOIWNRQGMLXMB-QFBILLFUSA-N 2 2 372.488 3.441 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)C1 ZINC000106214508 495432390 /nfs/dbraw/zinc/43/23/90/495432390.db2.gz AVOIWNRQGMLXMB-QFBILLFUSA-N 2 2 372.488 3.441 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccccc2)C1 ZINC000106217388 495434901 /nfs/dbraw/zinc/43/49/01/495434901.db2.gz FRZMXTKZCXSXHU-JENIJYKNSA-N 2 2 354.498 3.348 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccccc2)C1 ZINC000106217388 495434903 /nfs/dbraw/zinc/43/49/03/495434903.db2.gz FRZMXTKZCXSXHU-JENIJYKNSA-N 2 2 354.498 3.348 10 0 FGAELP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000106426131 495454146 /nfs/dbraw/zinc/45/41/46/495454146.db2.gz QPDHUMWRBKKFNC-VQTJNVASSA-N 2 2 369.509 3.096 10 0 FGAELP CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000173456171 495537515 /nfs/dbraw/zinc/53/75/15/495537515.db2.gz TYNDPBIRRCITTC-ZWKOTPCHSA-N 2 2 369.513 3.307 10 0 FGAELP CCC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000173456171 495537517 /nfs/dbraw/zinc/53/75/17/495537517.db2.gz TYNDPBIRRCITTC-ZWKOTPCHSA-N 2 2 369.513 3.307 10 0 FGAELP COc1cc(-c2noc(C[N@@H+]3CCC[C@H]3Cn3cc[nH+]c3C)n2)ccc1C ZINC000154555728 495652924 /nfs/dbraw/zinc/65/29/24/495652924.db2.gz HIQNZGJXDNHLMF-KRWDZBQOSA-N 2 2 367.453 3.223 10 0 FGAELP COc1cc(-c2noc(C[N@H+]3CCC[C@H]3Cn3cc[nH+]c3C)n2)ccc1C ZINC000154555728 495652930 /nfs/dbraw/zinc/65/29/30/495652930.db2.gz HIQNZGJXDNHLMF-KRWDZBQOSA-N 2 2 367.453 3.223 10 0 FGAELP CC(C)Oc1ccc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1 ZINC000170942196 495660580 /nfs/dbraw/zinc/66/05/80/495660580.db2.gz JNDWXMUNVWQNEM-UHFFFAOYSA-N 2 2 356.514 3.267 10 0 FGAELP CC(C)Oc1ccc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1 ZINC000170942196 495660584 /nfs/dbraw/zinc/66/05/84/495660584.db2.gz JNDWXMUNVWQNEM-UHFFFAOYSA-N 2 2 356.514 3.267 10 0 FGAELP C[C@@H](NC(=O)N(CC[NH+](C)C)C1CCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000151402079 495828679 /nfs/dbraw/zinc/82/86/79/495828679.db2.gz BNXYDVFPAMHEQR-QGZVFWFLSA-N 2 2 369.513 3.449 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1nc(-c2ccc(F)c(C)c2)no1 ZINC000151438912 495839447 /nfs/dbraw/zinc/83/94/47/495839447.db2.gz DHKYGAJOPXCJPG-MRXNPFEDSA-N 2 2 355.417 3.354 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1nc(-c2ccc(F)c(C)c2)no1 ZINC000151438912 495839454 /nfs/dbraw/zinc/83/94/54/495839454.db2.gz DHKYGAJOPXCJPG-MRXNPFEDSA-N 2 2 355.417 3.354 10 0 FGAELP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)C12CCOCC2 ZINC000186206015 495895797 /nfs/dbraw/zinc/89/57/97/495895797.db2.gz OFTBIFLAOQRAQG-FFZOFVMBSA-N 2 2 355.482 3.497 10 0 FGAELP COc1ccc([C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000180210594 495908553 /nfs/dbraw/zinc/90/85/53/495908553.db2.gz ZLVCRNRCZDGAAJ-IRLDBZIGSA-N 2 2 354.494 3.221 10 0 FGAELP C[C@H](C(=O)NCc1ccccc1Cl)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171644225 495961698 /nfs/dbraw/zinc/96/16/98/495961698.db2.gz NZUGDKFBVSAWLM-HZPDHXFCSA-N 2 2 372.900 3.174 10 0 FGAELP C[C@H](C(=O)NCc1ccccc1Cl)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171644225 495961703 /nfs/dbraw/zinc/96/17/03/495961703.db2.gz NZUGDKFBVSAWLM-HZPDHXFCSA-N 2 2 372.900 3.174 10 0 FGAELP O=C(C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)Nc1ccc(F)cc1Cl ZINC000171647938 495967028 /nfs/dbraw/zinc/96/70/28/495967028.db2.gz IZJNUDUNDBNRKF-CYBMUJFWSA-N 2 2 362.836 3.247 10 0 FGAELP O=C(C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)Nc1ccc(F)cc1Cl ZINC000171647938 495967032 /nfs/dbraw/zinc/96/70/32/495967032.db2.gz IZJNUDUNDBNRKF-CYBMUJFWSA-N 2 2 362.836 3.247 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)Nc3ccc(F)cc3F)C2)[nH+]1 ZINC000171653317 495972006 /nfs/dbraw/zinc/97/20/06/495972006.db2.gz ZBLYPIFROBYMEF-AWEZNQCLSA-N 2 2 360.408 3.041 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)Nc3ccc(F)cc3F)C2)[nH+]1 ZINC000171653317 495972009 /nfs/dbraw/zinc/97/20/09/495972009.db2.gz ZBLYPIFROBYMEF-AWEZNQCLSA-N 2 2 360.408 3.041 10 0 FGAELP Cc1nc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3scnc3C)C2)sc1C ZINC000195255260 496863468 /nfs/dbraw/zinc/86/34/68/496863468.db2.gz XKVNMOGEZNXPEL-OAHLLOKOSA-N 2 2 350.557 3.479 10 0 FGAELP Cc1nc(C[NH+]2CC[C@H](C[N@H+](C)Cc3scnc3C)C2)sc1C ZINC000195255260 496863471 /nfs/dbraw/zinc/86/34/71/496863471.db2.gz XKVNMOGEZNXPEL-OAHLLOKOSA-N 2 2 350.557 3.479 10 0 FGAELP Cc1nc(C[N@H+]2CC[C@H](C[NH+](C)Cc3scnc3C)C2)sc1C ZINC000195255260 496863477 /nfs/dbraw/zinc/86/34/77/496863477.db2.gz XKVNMOGEZNXPEL-OAHLLOKOSA-N 2 2 350.557 3.479 10 0 FGAELP Cc1nc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3scnc3C)C2)sc1C ZINC000195255260 496863481 /nfs/dbraw/zinc/86/34/81/496863481.db2.gz XKVNMOGEZNXPEL-OAHLLOKOSA-N 2 2 350.557 3.479 10 0 FGAELP O[C@@H](C[NH2+][C@H]1CCSc2ccccc21)C[N@@H+]1CCc2ccccc2C1 ZINC000250229145 497264238 /nfs/dbraw/zinc/26/42/38/497264238.db2.gz IIERDUPWUWLEQP-ICSRJNTNSA-N 2 2 354.519 3.232 10 0 FGAELP O[C@@H](C[NH2+][C@H]1CCSc2ccccc21)C[N@H+]1CCc2ccccc2C1 ZINC000250229145 497264242 /nfs/dbraw/zinc/26/42/42/497264242.db2.gz IIERDUPWUWLEQP-ICSRJNTNSA-N 2 2 354.519 3.232 10 0 FGAELP Cc1nn(C)c2ncc(C[NH2+]C[C@H]3CCCC[N@@H+]3Cc3ccccc3)cc12 ZINC000237892017 497309236 /nfs/dbraw/zinc/30/92/36/497309236.db2.gz VEIHEQGXYPWCAR-HXUWFJFHSA-N 2 2 363.509 3.421 10 0 FGAELP Cc1nn(C)c2ncc(C[NH2+]C[C@H]3CCCC[N@H+]3Cc3ccccc3)cc12 ZINC000237892017 497309242 /nfs/dbraw/zinc/30/92/42/497309242.db2.gz VEIHEQGXYPWCAR-HXUWFJFHSA-N 2 2 363.509 3.421 10 0 FGAELP CC[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccccc1OC ZINC000193555223 497412612 /nfs/dbraw/zinc/41/26/12/497412612.db2.gz SPEVTGQSQBEZQE-CTNGQTDRSA-N 2 2 354.494 3.155 10 0 FGAELP CC[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccccc1OC ZINC000193555223 497412618 /nfs/dbraw/zinc/41/26/18/497412618.db2.gz SPEVTGQSQBEZQE-CTNGQTDRSA-N 2 2 354.494 3.155 10 0 FGAELP [NH3+][C@@H](C(=O)Nc1ccc2[nH]c(C3CCCCC3)[nH+]c2c1)C1CCOCC1 ZINC000261822682 497456667 /nfs/dbraw/zinc/45/66/67/497456667.db2.gz PMFZRUCBIQLPQL-GOSISDBHSA-N 2 2 356.470 3.303 10 0 FGAELP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000261922377 497475744 /nfs/dbraw/zinc/47/57/44/497475744.db2.gz BUWSOWGFUISLFG-GTNSWQLSSA-N 2 2 363.303 3.031 10 0 FGAELP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000261922377 497475747 /nfs/dbraw/zinc/47/57/47/497475747.db2.gz BUWSOWGFUISLFG-GTNSWQLSSA-N 2 2 363.303 3.031 10 0 FGAELP C[C@H]1C[N@H+](Cc2cn(Cc3ccccc3)nc2-c2cccs2)C[C@H]1[NH3+] ZINC000262131804 497513613 /nfs/dbraw/zinc/51/36/13/497513613.db2.gz YGBIQOPGVJEKCA-MAUKXSAKSA-N 2 2 352.507 3.439 10 0 FGAELP C[C@H]1C[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2cccs2)C[C@H]1[NH3+] ZINC000262131804 497513618 /nfs/dbraw/zinc/51/36/18/497513618.db2.gz YGBIQOPGVJEKCA-MAUKXSAKSA-N 2 2 352.507 3.439 10 0 FGAELP [NH3+][C@@H]1CCC[C@@H](C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000262243486 497529129 /nfs/dbraw/zinc/52/91/29/497529129.db2.gz BYDZOJZDIQIYFD-XYPHTWIQSA-N 2 2 367.896 3.077 10 0 FGAELP [NH3+][C@@H]1CCC[C@@H](C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000262243486 497529136 /nfs/dbraw/zinc/52/91/36/497529136.db2.gz BYDZOJZDIQIYFD-XYPHTWIQSA-N 2 2 367.896 3.077 10 0 FGAELP COc1c(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c(C)nn1C ZINC000245799570 497541817 /nfs/dbraw/zinc/54/18/17/497541817.db2.gz XQIOPMLEVSYPHC-LPHOPBHVSA-N 2 2 356.514 3.222 10 0 FGAELP COc1c(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c(C)nn1C ZINC000245799570 497541822 /nfs/dbraw/zinc/54/18/22/497541822.db2.gz XQIOPMLEVSYPHC-LPHOPBHVSA-N 2 2 356.514 3.222 10 0 FGAELP COc1c(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c(C)nn1C ZINC000245799570 497541827 /nfs/dbraw/zinc/54/18/27/497541827.db2.gz XQIOPMLEVSYPHC-LPHOPBHVSA-N 2 2 356.514 3.222 10 0 FGAELP COc1c(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c(C)nn1C ZINC000245799570 497541828 /nfs/dbraw/zinc/54/18/28/497541828.db2.gz XQIOPMLEVSYPHC-LPHOPBHVSA-N 2 2 356.514 3.222 10 0 FGAELP Cc1ccc(N2CCC(C(=O)N[C@@H](C[NH+](C)C)c3ccccc3)CC2)[nH+]c1 ZINC000194075645 497565085 /nfs/dbraw/zinc/56/50/85/497565085.db2.gz FQNXFIZJZPXZFA-FQEVSTJZSA-N 2 2 366.509 3.026 10 0 FGAELP CC(C)(C)n1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)nn1 ZINC000311892029 498754714 /nfs/dbraw/zinc/75/47/14/498754714.db2.gz AVICIQSQEFEGTB-MISYRCLQSA-N 2 2 353.514 3.033 10 0 FGAELP CC(C)(C)n1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)nn1 ZINC000311892029 498754719 /nfs/dbraw/zinc/75/47/19/498754719.db2.gz AVICIQSQEFEGTB-MISYRCLQSA-N 2 2 353.514 3.033 10 0 FGAELP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000310475596 713799348 /nfs/dbraw/zinc/79/93/48/713799348.db2.gz NOTYEGBINOOPHB-SJORKVTESA-N 2 2 350.507 3.289 10 0 FGAELP C[NH+](C)CCn1cc[nH+]c1[C@@H]1CCCN(c2cc(C(F)(F)F)ccn2)C1 ZINC000095365808 132208146 /nfs/dbraw/zinc/20/81/46/132208146.db2.gz DJBMXBLXGCDFMH-CQSZACIVSA-N 2 2 367.419 3.243 10 0 FGAELP C[C@H](NC(=O)NCCC[N@@H+]1CCCC[C@@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000073530133 494384088 /nfs/dbraw/zinc/38/40/88/494384088.db2.gz ZGLXWQHZNIUAPE-ROUUACIJSA-N 2 2 369.513 3.497 10 0 FGAELP C[C@H](NC(=O)NCCC[N@H+]1CCCC[C@@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000073530133 494384093 /nfs/dbraw/zinc/38/40/93/494384093.db2.gz ZGLXWQHZNIUAPE-ROUUACIJSA-N 2 2 369.513 3.497 10 0 FGAELP C[C@H](NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000074876625 494638302 /nfs/dbraw/zinc/63/83/02/494638302.db2.gz BUVPJMGGCAUJBJ-PKOBYXMFSA-N 2 2 369.513 3.449 10 0 FGAELP C[C@H](NC(=O)N(C)CC[C@H]1CCCC[N@H+]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000074876625 494638309 /nfs/dbraw/zinc/63/83/09/494638309.db2.gz BUVPJMGGCAUJBJ-PKOBYXMFSA-N 2 2 369.513 3.449 10 0 FGAELP CC(C)Cc1ncc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)s1 ZINC000121240772 494662634 /nfs/dbraw/zinc/66/26/34/494662634.db2.gz JZHNCAKAQIWMHU-UHFFFAOYSA-N 2 2 361.559 3.135 10 0 FGAELP CC(C)Cc1ncc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)s1 ZINC000121240772 494662643 /nfs/dbraw/zinc/66/26/43/494662643.db2.gz JZHNCAKAQIWMHU-UHFFFAOYSA-N 2 2 361.559 3.135 10 0 FGAELP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000122226533 494942595 /nfs/dbraw/zinc/94/25/95/494942595.db2.gz KLIPWSNPWPOPTH-ROUUACIJSA-N 2 2 369.513 3.210 10 0 FGAELP CC(C)C[N@H+]1CC[C@@H](CNC(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000122226533 494942596 /nfs/dbraw/zinc/94/25/96/494942596.db2.gz KLIPWSNPWPOPTH-ROUUACIJSA-N 2 2 369.513 3.210 10 0 FGAELP CCN(CC)c1ccc(CNC(=O)N[C@H](C[NH+](C)C)c2ccccc2)c[nH+]1 ZINC000097406604 495034952 /nfs/dbraw/zinc/03/49/52/495034952.db2.gz ZIHWKGWCENHXTG-LJQANCHMSA-N 2 2 369.513 3.030 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccc(-n3cncn3)c(C)c2)C1 ZINC000122844123 495039877 /nfs/dbraw/zinc/03/98/77/495039877.db2.gz IMCSWXAFPFOBAI-SFHVURJKSA-N 2 2 350.470 3.172 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccc(-n3cncn3)c(C)c2)C1 ZINC000122844123 495039879 /nfs/dbraw/zinc/03/98/79/495039879.db2.gz IMCSWXAFPFOBAI-SFHVURJKSA-N 2 2 350.470 3.172 10 0 FGAELP CSc1ccc([C@@H](C)[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000098144429 495061967 /nfs/dbraw/zinc/06/19/67/495061967.db2.gz XILVYKAWENMOKK-UZLBHIALSA-N 2 2 356.535 3.478 10 0 FGAELP CSc1ccc([C@@H](C)[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000098144429 495061970 /nfs/dbraw/zinc/06/19/70/495061970.db2.gz XILVYKAWENMOKK-UZLBHIALSA-N 2 2 356.535 3.478 10 0 FGAELP Fc1ccc(-c2noc(C[N@@H+]3CC[C@H](CNc4cccc[nH+]4)C3)n2)cc1F ZINC000135168183 495258345 /nfs/dbraw/zinc/25/83/45/495258345.db2.gz VOEZQVIXUONGJO-CYBMUJFWSA-N 2 2 371.391 3.344 10 0 FGAELP Fc1ccc(-c2noc(C[N@H+]3CC[C@H](CNc4cccc[nH+]4)C3)n2)cc1F ZINC000135168183 495258347 /nfs/dbraw/zinc/25/83/47/495258347.db2.gz VOEZQVIXUONGJO-CYBMUJFWSA-N 2 2 371.391 3.344 10 0 FGAELP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@@H](CC(C)C)C[NH+](C)C)cc1 ZINC000120347884 495358147 /nfs/dbraw/zinc/35/81/47/495358147.db2.gz ZUXZSZVLYSFIHM-YJBOKZPZSA-N 2 2 355.548 3.075 10 0 FGAELP COCc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000125271484 495417371 /nfs/dbraw/zinc/41/73/71/495417371.db2.gz DYVUVLQLXKWJHT-RDTXWAMCSA-N 2 2 366.469 3.104 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cc(=O)oc3cc(O)ccc23)C1 ZINC000106216639 495435395 /nfs/dbraw/zinc/43/53/95/495435395.db2.gz RTJULIOASYCUJO-OAHLLOKOSA-N 2 2 353.422 3.095 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cc(=O)oc3cc(O)ccc23)C1 ZINC000106216639 495435399 /nfs/dbraw/zinc/43/53/99/495435399.db2.gz RTJULIOASYCUJO-OAHLLOKOSA-N 2 2 353.422 3.095 10 0 FGAELP C[C@@H](NC(=O)NCC[N@H+](C)C1CCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000176476121 495664271 /nfs/dbraw/zinc/66/42/71/495664271.db2.gz FKDLTWZAHFTCGP-MRXNPFEDSA-N 2 2 355.486 3.107 10 0 FGAELP C[C@@H](NC(=O)NCC[N@@H+](C)C1CCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000176476121 495664276 /nfs/dbraw/zinc/66/42/76/495664276.db2.gz FKDLTWZAHFTCGP-MRXNPFEDSA-N 2 2 355.486 3.107 10 0 FGAELP C[C@H](C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1)[N@@H+]1CCc2ccccc2C1 ZINC000173953095 495761024 /nfs/dbraw/zinc/76/10/24/495761024.db2.gz KBUMUXRVCRCMBJ-ZWKOTPCHSA-N 2 2 374.488 3.496 10 0 FGAELP C[C@H](C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1)[N@H+]1CCc2ccccc2C1 ZINC000173953095 495761031 /nfs/dbraw/zinc/76/10/31/495761031.db2.gz KBUMUXRVCRCMBJ-ZWKOTPCHSA-N 2 2 374.488 3.496 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000176973758 495864297 /nfs/dbraw/zinc/86/42/97/495864297.db2.gz YTCDFMGVKOGIIZ-SFHVURJKSA-N 2 2 364.453 3.289 10 0 FGAELP CCc1cccc(C)c1NC(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000171647087 495966732 /nfs/dbraw/zinc/96/67/32/495966732.db2.gz IARZJBLHQMDLCB-KRWDZBQOSA-N 2 2 352.482 3.325 10 0 FGAELP CCc1cccc(C)c1NC(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000171647087 495966738 /nfs/dbraw/zinc/96/67/38/495966738.db2.gz IARZJBLHQMDLCB-KRWDZBQOSA-N 2 2 352.482 3.325 10 0 FGAELP O=C(C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)Nc1ccc(F)cc1Cl ZINC000171647934 495967012 /nfs/dbraw/zinc/96/70/12/495967012.db2.gz IZJNUDUNDBNRKF-ZDUSSCGKSA-N 2 2 362.836 3.247 10 0 FGAELP O=C(C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)Nc1ccc(F)cc1Cl ZINC000171647934 495967014 /nfs/dbraw/zinc/96/70/14/495967014.db2.gz IZJNUDUNDBNRKF-ZDUSSCGKSA-N 2 2 362.836 3.247 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)N3c4ccccc4C[C@@H]3C)C2)[nH+]1 ZINC000171653382 495972726 /nfs/dbraw/zinc/97/27/26/495972726.db2.gz KZSRYHUHWHPONJ-ZWKOTPCHSA-N 2 2 364.493 3.102 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)N3c4ccccc4C[C@@H]3C)C2)[nH+]1 ZINC000171653382 495972735 /nfs/dbraw/zinc/97/27/35/495972735.db2.gz KZSRYHUHWHPONJ-ZWKOTPCHSA-N 2 2 364.493 3.102 10 0 FGAELP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)C12CCOCC2 ZINC000186428292 495994830 /nfs/dbraw/zinc/99/48/30/495994830.db2.gz ZNCLTHSRNOZLAR-IOMROCGXSA-N 2 2 373.541 3.171 10 0 FGAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2cc(C)ccc2OC)nc[nH+]1 ZINC000180574485 496051365 /nfs/dbraw/zinc/05/13/65/496051365.db2.gz GXEQWTLNCSKPEW-JKSUJKDBSA-N 2 2 355.486 3.155 10 0 FGAELP CC(=O)c1cccc(NC(=O)C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000180646871 496084364 /nfs/dbraw/zinc/08/43/64/496084364.db2.gz UZUXRKSQHTVWFL-HNNXBMFYSA-N 2 2 362.433 3.364 10 0 FGAELP CNc1cc(N2CCC[C@H]2C[NH2+]CC2CCC(C(F)(F)F)CC2)nc[nH+]1 ZINC000183702622 496086986 /nfs/dbraw/zinc/08/69/86/496086986.db2.gz AIVOHQFJJYHVDR-NRXISQOPSA-N 2 2 371.451 3.445 10 0 FGAELP C[C@@H]([NH2+]C[C@@H](O)COCc1cccs1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180655957 496090214 /nfs/dbraw/zinc/09/02/14/496090214.db2.gz FTYRBVHPQVVYTL-CRAIPNDOSA-N 2 2 357.479 3.162 10 0 FGAELP Cc1cccn2c(=O)cc(C[NH2+][C@@H](C)c3cccc(-n4cc[nH+]c4)c3)nc12 ZINC000180658179 496091699 /nfs/dbraw/zinc/09/16/99/496091699.db2.gz PAYNDIKSKVZSRU-INIZCTEOSA-N 2 2 359.433 3.039 10 0 FGAELP C[C@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc2ccccc2n1 ZINC000177918452 496251766 /nfs/dbraw/zinc/25/17/66/496251766.db2.gz QNTYGBJAEQCANU-UWJYYQICSA-N 2 2 361.489 3.305 10 0 FGAELP C[C@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc2ccccc2n1 ZINC000177918452 496251770 /nfs/dbraw/zinc/25/17/70/496251770.db2.gz QNTYGBJAEQCANU-UWJYYQICSA-N 2 2 361.489 3.305 10 0 FGAELP CC(C)[N@H+]1C[C@H]([NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)[C@@H](C)C1 ZINC000181284774 496339303 /nfs/dbraw/zinc/33/93/03/496339303.db2.gz UVJSSRNWBLOFJW-KXBFYZLASA-N 2 2 363.933 3.263 10 0 FGAELP CC(C)[N@@H+]1C[C@H]([NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)[C@@H](C)C1 ZINC000181284774 496339309 /nfs/dbraw/zinc/33/93/09/496339309.db2.gz UVJSSRNWBLOFJW-KXBFYZLASA-N 2 2 363.933 3.263 10 0 FGAELP COC(=O)c1cc2cc(C[N@@H+]3CCC[C@@H]3Cn3cc[nH+]c3C)ccc2o1 ZINC000178288276 496400430 /nfs/dbraw/zinc/40/04/30/496400430.db2.gz RCKJLBUIFOCYIY-QGZVFWFLSA-N 2 2 353.422 3.389 10 0 FGAELP COC(=O)c1cc2cc(C[N@H+]3CCC[C@@H]3Cn3cc[nH+]c3C)ccc2o1 ZINC000178288276 496400433 /nfs/dbraw/zinc/40/04/33/496400433.db2.gz RCKJLBUIFOCYIY-QGZVFWFLSA-N 2 2 353.422 3.389 10 0 FGAELP C[N@H+](C1CC[NH+](CCn2cccn2)CC1)[C@@H]1CCCc2ccc(F)cc21 ZINC000178913744 496614322 /nfs/dbraw/zinc/61/43/22/496614322.db2.gz IXZAVMOQQJIGIO-OAQYLSRUSA-N 2 2 356.489 3.496 10 0 FGAELP C[N@@H+](C1CC[NH+](CCn2cccn2)CC1)[C@@H]1CCCc2ccc(F)cc21 ZINC000178913744 496614330 /nfs/dbraw/zinc/61/43/30/496614330.db2.gz IXZAVMOQQJIGIO-OAQYLSRUSA-N 2 2 356.489 3.496 10 0 FGAELP CCN(C)c1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3scnc3C)C2)cn1 ZINC000191537581 496802515 /nfs/dbraw/zinc/80/25/15/496802515.db2.gz VHOMJZUYYSQXKH-GOSISDBHSA-N 2 2 373.570 3.257 10 0 FGAELP CCN(C)c1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3scnc3C)C2)cn1 ZINC000191537581 496802518 /nfs/dbraw/zinc/80/25/18/496802518.db2.gz VHOMJZUYYSQXKH-GOSISDBHSA-N 2 2 373.570 3.257 10 0 FGAELP CCN(C)c1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3scnc3C)C2)cn1 ZINC000191537581 496802528 /nfs/dbraw/zinc/80/25/28/496802528.db2.gz VHOMJZUYYSQXKH-GOSISDBHSA-N 2 2 373.570 3.257 10 0 FGAELP COC(=O)c1cc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)c(C)s1 ZINC000195289464 496877182 /nfs/dbraw/zinc/87/71/82/496877182.db2.gz SADRQYZWWUNTOQ-QGZVFWFLSA-N 2 2 373.522 3.192 10 0 FGAELP COC(=O)c1cc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)c(C)s1 ZINC000195289464 496877187 /nfs/dbraw/zinc/87/71/87/496877187.db2.gz SADRQYZWWUNTOQ-QGZVFWFLSA-N 2 2 373.522 3.192 10 0 FGAELP COC(=O)c1cc(C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)c(C)s1 ZINC000195289464 496877190 /nfs/dbraw/zinc/87/71/90/496877190.db2.gz SADRQYZWWUNTOQ-QGZVFWFLSA-N 2 2 373.522 3.192 10 0 FGAELP COC(=O)c1cc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)c(C)s1 ZINC000195289464 496877192 /nfs/dbraw/zinc/87/71/92/496877192.db2.gz SADRQYZWWUNTOQ-QGZVFWFLSA-N 2 2 373.522 3.192 10 0 FGAELP Fc1ccccc1-n1ccc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)n1 ZINC000189028716 496983449 /nfs/dbraw/zinc/98/34/49/496983449.db2.gz MULYMUSKZGYXMJ-MRXNPFEDSA-N 2 2 351.429 3.340 10 0 FGAELP Fc1ccccc1-n1ccc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)n1 ZINC000189028716 496983452 /nfs/dbraw/zinc/98/34/52/496983452.db2.gz MULYMUSKZGYXMJ-MRXNPFEDSA-N 2 2 351.429 3.340 10 0 FGAELP COC(=O)c1oc([C@@H](C)[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)cc1C ZINC000248649400 497071377 /nfs/dbraw/zinc/07/13/77/497071377.db2.gz KRNVVRLTLKDBIN-AEFFLSMTSA-N 2 2 371.481 3.285 10 0 FGAELP COC(=O)c1oc([C@@H](C)[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)cc1C ZINC000248649400 497071383 /nfs/dbraw/zinc/07/13/83/497071383.db2.gz KRNVVRLTLKDBIN-AEFFLSMTSA-N 2 2 371.481 3.285 10 0 FGAELP COC(=O)c1oc([C@@H](C)[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)cc1C ZINC000248649400 497071387 /nfs/dbraw/zinc/07/13/87/497071387.db2.gz KRNVVRLTLKDBIN-AEFFLSMTSA-N 2 2 371.481 3.285 10 0 FGAELP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C12CCOCC2 ZINC000248982757 497144393 /nfs/dbraw/zinc/14/43/93/497144393.db2.gz JGHNKNPTQSMWPB-AYWYSENESA-N 2 2 358.526 3.213 10 0 FGAELP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C12CCOCC2 ZINC000248982757 497144395 /nfs/dbraw/zinc/14/43/95/497144395.db2.gz JGHNKNPTQSMWPB-AYWYSENESA-N 2 2 358.526 3.213 10 0 FGAELP COC(=O)c1ccccc1OCC[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189919565 497293195 /nfs/dbraw/zinc/29/31/95/497293195.db2.gz ASVWNIIXIVAFQK-INIZCTEOSA-N 2 2 365.433 3.389 10 0 FGAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000190486053 497500325 /nfs/dbraw/zinc/50/03/25/497500325.db2.gz DQUDOTWWMZVOAI-NRFANRHFSA-N 2 2 361.493 3.221 10 0 FGAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000190486053 497500332 /nfs/dbraw/zinc/50/03/32/497500332.db2.gz DQUDOTWWMZVOAI-NRFANRHFSA-N 2 2 361.493 3.221 10 0 FGAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000190486053 497500336 /nfs/dbraw/zinc/50/03/36/497500336.db2.gz DQUDOTWWMZVOAI-NRFANRHFSA-N 2 2 361.493 3.221 10 0 FGAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000190486053 497500342 /nfs/dbraw/zinc/50/03/42/497500342.db2.gz DQUDOTWWMZVOAI-NRFANRHFSA-N 2 2 361.493 3.221 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@@H](O)COc2cccc3[nH]ccc32)C1 ZINC000245753195 497528426 /nfs/dbraw/zinc/52/84/26/497528426.db2.gz CPSBDGFERBTYFN-DLBZAZTESA-N 2 2 368.481 3.004 10 0 FGAELP C[N@H+](Cc1nc(-c2cccc(Br)c2)no1)[C@@H]1CCC[NH2+]CC1 ZINC000262475227 497561791 /nfs/dbraw/zinc/56/17/91/497561791.db2.gz JOJAJCQJFXSGFB-CQSZACIVSA-N 2 2 365.275 3.073 10 0 FGAELP C[N@@H+](Cc1nc(-c2cccc(Br)c2)no1)[C@@H]1CCC[NH2+]CC1 ZINC000262475227 497561794 /nfs/dbraw/zinc/56/17/94/497561794.db2.gz JOJAJCQJFXSGFB-CQSZACIVSA-N 2 2 365.275 3.073 10 0 FGAELP Cc1nc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)sc1C ZINC000246135609 497633869 /nfs/dbraw/zinc/63/38/69/497633869.db2.gz MYUQURXBMNPBCM-GDBMZVCRSA-N 2 2 373.526 3.224 10 0 FGAELP Cc1nc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)sc1C ZINC000246135609 497633874 /nfs/dbraw/zinc/63/38/74/497633874.db2.gz MYUQURXBMNPBCM-GDBMZVCRSA-N 2 2 373.526 3.224 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H](C)c1nc(Cc2ccccc2)no1 ZINC000246816628 497813236 /nfs/dbraw/zinc/81/32/36/497813236.db2.gz AJPBGJDDHIRHIU-CRAIPNDOSA-N 2 2 351.454 3.391 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H](C)c1nc(Cc2ccccc2)no1 ZINC000246816628 497813238 /nfs/dbraw/zinc/81/32/38/497813238.db2.gz AJPBGJDDHIRHIU-CRAIPNDOSA-N 2 2 351.454 3.391 10 0 FGAELP c1cc2[nH+]ccc(N3C[C@@H]4OCC[N@@H+](Cc5ccccc5)[C@H]4C3)c2s1 ZINC000301659576 498210057 /nfs/dbraw/zinc/21/00/57/498210057.db2.gz TVDIFHAUZSLORZ-OALUTQOASA-N 2 2 351.475 3.386 10 0 FGAELP c1cc2[nH+]ccc(N3C[C@@H]4OCC[N@H+](Cc5ccccc5)[C@H]4C3)c2s1 ZINC000301659576 498210061 /nfs/dbraw/zinc/21/00/61/498210061.db2.gz TVDIFHAUZSLORZ-OALUTQOASA-N 2 2 351.475 3.386 10 0 FGAELP C[N@@H+](Cc1cccc2[nH+]ccn21)C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000328629044 498880975 /nfs/dbraw/zinc/88/09/75/498880975.db2.gz HVOLIDSINIKZPP-ZDUSSCGKSA-N 2 2 363.387 3.244 10 0 FGAELP C[N@H+](Cc1cccc2[nH+]ccn21)C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000328629044 498880979 /nfs/dbraw/zinc/88/09/79/498880979.db2.gz HVOLIDSINIKZPP-ZDUSSCGKSA-N 2 2 363.387 3.244 10 0 FGAELP Cn1nccc1[C@H]1[C@H](C[N@H+](C)Cc2nc3ccccc3o2)CCC[NH+]1C ZINC000500417249 503620222 /nfs/dbraw/zinc/62/02/22/503620222.db2.gz VMHVDKCIVCSWNC-MGPUTAFESA-N 2 2 353.470 3.076 10 0 FGAELP Cn1nccc1[C@H]1[C@H](C[N@@H+](C)Cc2nc3ccccc3o2)CCC[NH+]1C ZINC000500417249 503620224 /nfs/dbraw/zinc/62/02/24/503620224.db2.gz VMHVDKCIVCSWNC-MGPUTAFESA-N 2 2 353.470 3.076 10 0 FGAELP Cn1nccc1[C@H]1[C@H](C[NH+](C)Cc2nc3ccccc3o2)CCC[N@@H+]1C ZINC000500417249 503620227 /nfs/dbraw/zinc/62/02/27/503620227.db2.gz VMHVDKCIVCSWNC-MGPUTAFESA-N 2 2 353.470 3.076 10 0 FGAELP Cn1nccc1[C@H]1[C@H](C[NH+](C)Cc2nc3ccccc3o2)CCC[N@H+]1C ZINC000500417249 503620229 /nfs/dbraw/zinc/62/02/29/503620229.db2.gz VMHVDKCIVCSWNC-MGPUTAFESA-N 2 2 353.470 3.076 10 0 FGAELP Cc1cccc(C[NH+]2CCN(C(=O)C[NH2+][C@H](C)c3cccs3)CC2)c1 ZINC000182176420 705828978 /nfs/dbraw/zinc/82/89/78/705828978.db2.gz DFGLOGYPLCQGEP-QGZVFWFLSA-N 2 2 357.523 3.052 10 0 FGAELP CC(C)c1nc(C[N@@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C)c3)C2)cs1 ZINC000886059704 739213484 /nfs/dbraw/zinc/21/34/84/739213484.db2.gz UQPPUWVSBSKUGY-SFHVURJKSA-N 2 2 360.527 3.376 10 0 FGAELP CC(C)c1nc(C[N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C)c3)C2)cs1 ZINC000886059704 739213491 /nfs/dbraw/zinc/21/34/91/739213491.db2.gz UQPPUWVSBSKUGY-SFHVURJKSA-N 2 2 360.527 3.376 10 0 FGAELP C/C=C(\C)C[NH+]1CCOc2ccc(C[N@H+]3CCCC[C@H]3C(=O)OC)cc2C1 ZINC000014994098 206314245 /nfs/dbraw/zinc/31/42/45/206314245.db2.gz YSOSCPZIGRWHAB-FKBPCVKNSA-N 2 2 372.509 3.375 10 0 FGAELP C/C=C(\C)C[NH+]1CCOc2ccc(C[N@@H+]3CCCC[C@H]3C(=O)OC)cc2C1 ZINC000014994098 206314248 /nfs/dbraw/zinc/31/42/48/206314248.db2.gz YSOSCPZIGRWHAB-FKBPCVKNSA-N 2 2 372.509 3.375 10 0 FGAELP C/C=C(\C)C[N@H+]1CCOc2ccc(C[NH+]3CCCC[C@H]3C(=O)OC)cc2C1 ZINC000014994098 206314252 /nfs/dbraw/zinc/31/42/52/206314252.db2.gz YSOSCPZIGRWHAB-FKBPCVKNSA-N 2 2 372.509 3.375 10 0 FGAELP C/C=C(\C)C[N@@H+]1CCOc2ccc(C[NH+]3CCCC[C@H]3C(=O)OC)cc2C1 ZINC000014994098 206314257 /nfs/dbraw/zinc/31/42/57/206314257.db2.gz YSOSCPZIGRWHAB-FKBPCVKNSA-N 2 2 372.509 3.375 10 0 FGAELP CC(C)[NH+](CCNC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C(C)C ZINC000076470753 493898385 /nfs/dbraw/zinc/89/83/85/493898385.db2.gz OCWIHDIBHSLCBJ-KRWDZBQOSA-N 2 2 357.502 3.351 10 0 FGAELP C[C@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccc(Cl)s1 ZINC000091235516 494570040 /nfs/dbraw/zinc/57/00/40/494570040.db2.gz KJIOZANVXWLIBP-ZDUSSCGKSA-N 2 2 372.966 3.130 10 0 FGAELP C[C@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(Cl)s1 ZINC000091235516 494570042 /nfs/dbraw/zinc/57/00/42/494570042.db2.gz KJIOZANVXWLIBP-ZDUSSCGKSA-N 2 2 372.966 3.130 10 0 FGAELP COCOc1ccc(OC)cc1C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000092812816 494757580 /nfs/dbraw/zinc/75/75/80/494757580.db2.gz DGNMOEJTUPJVNZ-INIZCTEOSA-N 2 2 357.454 3.007 10 0 FGAELP COCOc1ccc(OC)cc1C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000092812816 494757586 /nfs/dbraw/zinc/75/75/86/494757586.db2.gz DGNMOEJTUPJVNZ-INIZCTEOSA-N 2 2 357.454 3.007 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000135273684 495270742 /nfs/dbraw/zinc/27/07/42/495270742.db2.gz FWMHHMKOWPLYHW-AWEZNQCLSA-N 2 2 359.380 3.184 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000135273684 495270746 /nfs/dbraw/zinc/27/07/46/495270746.db2.gz FWMHHMKOWPLYHW-AWEZNQCLSA-N 2 2 359.380 3.184 10 0 FGAELP C[NH+]1CCC([NH+]2CCC3(Cc4cc(Br)ccc4O3)CC2)CC1 ZINC000114727938 495417874 /nfs/dbraw/zinc/41/78/74/495417874.db2.gz FAHZAAUPSSRWDU-UHFFFAOYSA-N 2 2 365.315 3.313 10 0 FGAELP CC(C)Oc1cccc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1 ZINC000106128905 495418189 /nfs/dbraw/zinc/41/81/89/495418189.db2.gz SQKXECTVMPXNON-UHFFFAOYSA-N 2 2 356.514 3.267 10 0 FGAELP CC(C)Oc1cccc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1 ZINC000106128905 495418192 /nfs/dbraw/zinc/41/81/92/495418192.db2.gz SQKXECTVMPXNON-UHFFFAOYSA-N 2 2 356.514 3.267 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C(=O)NC2CC2)c2ccc(F)cc2)C1 ZINC000106212072 495432920 /nfs/dbraw/zinc/43/29/20/495432920.db2.gz KQGGBFJDOYJVCR-ICSRJNTNSA-N 2 2 370.472 3.241 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C(=O)NC2CC2)c2ccc(F)cc2)C1 ZINC000106212072 495432925 /nfs/dbraw/zinc/43/29/25/495432925.db2.gz KQGGBFJDOYJVCR-ICSRJNTNSA-N 2 2 370.472 3.241 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(C)cc2C)C1 ZINC000106212033 495433576 /nfs/dbraw/zinc/43/35/76/495433576.db2.gz LKQDGPLBFGFZQP-MOPGFXCFSA-N 2 2 357.498 3.139 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccc(C)cc2C)C1 ZINC000106212033 495433580 /nfs/dbraw/zinc/43/35/80/495433580.db2.gz LKQDGPLBFGFZQP-MOPGFXCFSA-N 2 2 357.498 3.139 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C(C)=O)C1 ZINC000106215343 495434768 /nfs/dbraw/zinc/43/47/68/495434768.db2.gz VHAIYYSSBQCGOA-DOTOQJQBSA-N 2 2 368.481 3.312 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C(C)=O)C1 ZINC000106215343 495434772 /nfs/dbraw/zinc/43/47/72/495434772.db2.gz VHAIYYSSBQCGOA-DOTOQJQBSA-N 2 2 368.481 3.312 10 0 FGAELP C[C@@H]([NH2+]CC1(C[NH2+][C@@H](C)c2cccc(O)c2)COC1)c1cccc(O)c1 ZINC000182432112 495561394 /nfs/dbraw/zinc/56/13/94/495561394.db2.gz UDGMEKLHIIZWOK-IYBDPMFKSA-N 2 2 356.466 3.116 10 0 FGAELP CC(C)CNC(=O)c1cccc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000171057813 495706950 /nfs/dbraw/zinc/70/69/50/495706950.db2.gz LNRCRVITVKQVMD-IBGZPJMESA-N 2 2 366.509 3.401 10 0 FGAELP CC(C)CNC(=O)c1cccc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000171057813 495706955 /nfs/dbraw/zinc/70/69/55/495706955.db2.gz LNRCRVITVKQVMD-IBGZPJMESA-N 2 2 366.509 3.401 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2nc([C@@H](C)OCC(C)C)no2)C1 ZINC000173888103 495732445 /nfs/dbraw/zinc/73/24/45/495732445.db2.gz JNGSUZMVYVHEFO-CVEARBPZSA-N 2 2 361.490 3.399 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2nc([C@@H](C)OCC(C)C)no2)C1 ZINC000173888103 495732452 /nfs/dbraw/zinc/73/24/52/495732452.db2.gz JNGSUZMVYVHEFO-CVEARBPZSA-N 2 2 361.490 3.399 10 0 FGAELP CCN(Cc1ccccc1)C(=O)[C@H](C)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000151108630 495740599 /nfs/dbraw/zinc/74/05/99/495740599.db2.gz OGZKIRVLVNATKJ-AZUAARDMSA-N 2 2 366.509 3.253 10 0 FGAELP CCN(Cc1ccccc1)C(=O)[C@H](C)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000151108630 495740603 /nfs/dbraw/zinc/74/06/03/495740603.db2.gz OGZKIRVLVNATKJ-AZUAARDMSA-N 2 2 366.509 3.253 10 0 FGAELP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173999177 495782608 /nfs/dbraw/zinc/78/26/08/495782608.db2.gz QPHHFOCLKSDDAC-WMZOPIPTSA-N 2 2 357.502 3.209 10 0 FGAELP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)C12CCOCC2 ZINC000186197429 495892761 /nfs/dbraw/zinc/89/27/61/495892761.db2.gz RJJAUTLEKWBJGI-PCCBWWKXSA-N 2 2 358.526 3.387 10 0 FGAELP CCO[C@@H]1C[C@@H]([NH2+]CCCn2c(C)[nH+]c3ccccc32)C12CCOCC2 ZINC000186207655 495896417 /nfs/dbraw/zinc/89/64/17/495896417.db2.gz XRKSNIDXRIEVLW-WOJBJXKFSA-N 2 2 357.498 3.299 10 0 FGAELP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)NCCC[NH+](C(C)C)C(C)C)C2 ZINC000174357501 495925964 /nfs/dbraw/zinc/92/59/64/495925964.db2.gz APWTXSHDLLFRLQ-UHFFFAOYSA-N 2 2 363.550 3.120 10 0 FGAELP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)C12CCOCC2 ZINC000186338903 495954838 /nfs/dbraw/zinc/95/48/38/495954838.db2.gz QGBKLMDIUNZRBI-PWRODBHTSA-N 2 2 358.526 3.215 10 0 FGAELP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)C12CCOCC2 ZINC000186338903 495954843 /nfs/dbraw/zinc/95/48/43/495954843.db2.gz QGBKLMDIUNZRBI-PWRODBHTSA-N 2 2 358.526 3.215 10 0 FGAELP C[C@@H](C(=O)NCc1ccccc1Cl)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171644221 495962456 /nfs/dbraw/zinc/96/24/56/495962456.db2.gz NZUGDKFBVSAWLM-JKSUJKDBSA-N 2 2 372.900 3.174 10 0 FGAELP C[C@@H](C(=O)NCc1ccccc1Cl)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171644221 495962461 /nfs/dbraw/zinc/96/24/61/495962461.db2.gz NZUGDKFBVSAWLM-JKSUJKDBSA-N 2 2 372.900 3.174 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccc(F)cc3F)C2)[nH+]1 ZINC000171650903 495970678 /nfs/dbraw/zinc/97/06/78/495970678.db2.gz JRQMFGASGBHKSP-GJZGRUSLSA-N 2 2 374.435 3.429 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccc(F)cc3F)C2)[nH+]1 ZINC000171650903 495970681 /nfs/dbraw/zinc/97/06/81/495970681.db2.gz JRQMFGASGBHKSP-GJZGRUSLSA-N 2 2 374.435 3.429 10 0 FGAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](CC(C)C)c2ccccn2)nc[nH+]1 ZINC000180573280 496050273 /nfs/dbraw/zinc/05/02/73/496050273.db2.gz MULDWURBHDEQSN-AEFFLSMTSA-N 2 2 354.502 3.259 10 0 FGAELP CC(C)[NH+]1CCC(NC(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000174687630 496061676 /nfs/dbraw/zinc/06/16/76/496061676.db2.gz UYIXUNFGNKFHLJ-INIZCTEOSA-N 2 2 355.486 3.105 10 0 FGAELP CC(C)[N@H+]1C[C@H]([NH2+][C@@H](C)c2ccc(OCc3nccn3C)cc2)[C@@H](C)C1 ZINC000181284437 496339248 /nfs/dbraw/zinc/33/92/48/496339248.db2.gz SZVXFKHQBQAMNL-ZWOKBUDYSA-N 2 2 356.514 3.378 10 0 FGAELP CC(C)[N@@H+]1C[C@H]([NH2+][C@@H](C)c2ccc(OCc3nccn3C)cc2)[C@@H](C)C1 ZINC000181284437 496339255 /nfs/dbraw/zinc/33/92/55/496339255.db2.gz SZVXFKHQBQAMNL-ZWOKBUDYSA-N 2 2 356.514 3.378 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000178334889 496417960 /nfs/dbraw/zinc/41/79/60/496417960.db2.gz CAISVQLKZBPZDF-MRXNPFEDSA-N 2 2 366.387 3.313 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000178334889 496417964 /nfs/dbraw/zinc/41/79/64/496417964.db2.gz CAISVQLKZBPZDF-MRXNPFEDSA-N 2 2 366.387 3.313 10 0 FGAELP Cc1ccc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)cc1Oc1cc[nH+]cc1 ZINC000246976487 496740566 /nfs/dbraw/zinc/74/05/66/496740566.db2.gz ZXNMAKZODNAPLI-AEFFLSMTSA-N 2 2 351.450 3.491 10 0 FGAELP Cc1ccc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc1Oc1cc[nH+]cc1 ZINC000246976487 496740573 /nfs/dbraw/zinc/74/05/73/496740573.db2.gz ZXNMAKZODNAPLI-AEFFLSMTSA-N 2 2 351.450 3.491 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@H](O)CO[C@H]1CCCc2ccccc21 ZINC000247205548 496805491 /nfs/dbraw/zinc/80/54/91/496805491.db2.gz XLOIAFREQBPPEN-ONTIZHBOSA-N 2 2 369.509 3.111 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@H](O)CO[C@H]1CCCc2ccccc21 ZINC000247205548 496805494 /nfs/dbraw/zinc/80/54/94/496805494.db2.gz XLOIAFREQBPPEN-ONTIZHBOSA-N 2 2 369.509 3.111 10 0 FGAELP CC(=O)Nc1cccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3scnc3C)C2)c1 ZINC000195255419 496863820 /nfs/dbraw/zinc/86/38/20/496863820.db2.gz VLCOFVVAEDXZOV-SFHVURJKSA-N 2 2 372.538 3.364 10 0 FGAELP CC(=O)Nc1cccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3scnc3C)C2)c1 ZINC000195255419 496863824 /nfs/dbraw/zinc/86/38/24/496863824.db2.gz VLCOFVVAEDXZOV-SFHVURJKSA-N 2 2 372.538 3.364 10 0 FGAELP CC(=O)Nc1cccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3scnc3C)C2)c1 ZINC000195255419 496863830 /nfs/dbraw/zinc/86/38/30/496863830.db2.gz VLCOFVVAEDXZOV-SFHVURJKSA-N 2 2 372.538 3.364 10 0 FGAELP CC(=O)Nc1cccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3scnc3C)C2)c1 ZINC000195255419 496863836 /nfs/dbraw/zinc/86/38/36/496863836.db2.gz VLCOFVVAEDXZOV-SFHVURJKSA-N 2 2 372.538 3.364 10 0 FGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000191998717 496959684 /nfs/dbraw/zinc/95/96/84/496959684.db2.gz YYQNSQVLBMTQSW-UHFFFAOYSA-N 2 2 362.481 3.072 10 0 FGAELP CC(C)c1nc(N2CCC[C@@H]([N@H+](C)CC(=O)OC(C)(C)C)CC2)cc[nH+]1 ZINC000192268255 497056102 /nfs/dbraw/zinc/05/61/02/497056102.db2.gz ORQXHQJOPYNXHM-MRXNPFEDSA-N 2 2 362.518 3.232 10 0 FGAELP CC(C)c1nc(N2CCC[C@@H]([N@@H+](C)CC(=O)OC(C)(C)C)CC2)cc[nH+]1 ZINC000192268255 497056106 /nfs/dbraw/zinc/05/61/06/497056106.db2.gz ORQXHQJOPYNXHM-MRXNPFEDSA-N 2 2 362.518 3.232 10 0 FGAELP [NH3+]C[C@@H]1C[N@H+](CC(=O)Nc2ccc(F)cc2Cl)C[C@H]1c1ccccc1 ZINC000261614587 497419552 /nfs/dbraw/zinc/41/95/52/497419552.db2.gz CHHFANYYPITKRZ-ZBFHGGJFSA-N 2 2 361.848 3.092 10 0 FGAELP [NH3+]C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(F)cc2Cl)C[C@H]1c1ccccc1 ZINC000261614587 497419557 /nfs/dbraw/zinc/41/95/57/497419557.db2.gz CHHFANYYPITKRZ-ZBFHGGJFSA-N 2 2 361.848 3.092 10 0 FGAELP COc1cc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)cc(OC)c1 ZINC000190471602 497494457 /nfs/dbraw/zinc/49/44/57/497494457.db2.gz NBHQQOUVZDDMJW-GOSISDBHSA-N 2 2 355.482 3.053 10 0 FGAELP COc1cc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)cc(OC)c1 ZINC000190471602 497494461 /nfs/dbraw/zinc/49/44/61/497494461.db2.gz NBHQQOUVZDDMJW-GOSISDBHSA-N 2 2 355.482 3.053 10 0 FGAELP COc1cc(C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)cc(OC)c1 ZINC000190471602 497494464 /nfs/dbraw/zinc/49/44/64/497494464.db2.gz NBHQQOUVZDDMJW-GOSISDBHSA-N 2 2 355.482 3.053 10 0 FGAELP COc1cc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)cc(OC)c1 ZINC000190471602 497494468 /nfs/dbraw/zinc/49/44/68/497494468.db2.gz NBHQQOUVZDDMJW-GOSISDBHSA-N 2 2 355.482 3.053 10 0 FGAELP C[C@H]([NH2+]C1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CCCC1)c1ccccc1 ZINC000262036112 497496237 /nfs/dbraw/zinc/49/62/37/497496237.db2.gz XZKMECNCCXQLPO-BDKRGJGYSA-N 3 2 371.569 3.397 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@@H](O)COc2cccc3[nH]ccc32)C1 ZINC000245753203 497528482 /nfs/dbraw/zinc/52/84/82/497528482.db2.gz CPSBDGFERBTYFN-IAGOWNOFSA-N 2 2 368.481 3.004 10 0 FGAELP Cc1ccc(N2CCC(C(=O)N[C@H](C[NH+](C)C)c3ccccc3)CC2)[nH+]c1 ZINC000194075660 497565066 /nfs/dbraw/zinc/56/50/66/497565066.db2.gz FQNXFIZJZPXZFA-HXUWFJFHSA-N 2 2 366.509 3.026 10 0 FGAELP CC(=O)N(Cc1ccsc1)[C@@H]1CC12CC[NH+](CCCn1cc[nH+]c1)CC2 ZINC000276537373 497595683 /nfs/dbraw/zinc/59/56/83/497595683.db2.gz RGZXCGIKTHJKMH-LJQANCHMSA-N 2 2 372.538 3.238 10 0 FGAELP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000246118306 497627887 /nfs/dbraw/zinc/62/78/87/497627887.db2.gz KQWARINPPCTRPU-MSOLQXFVSA-N 2 2 352.482 3.459 10 0 FGAELP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000246118306 497627888 /nfs/dbraw/zinc/62/78/88/497627888.db2.gz KQWARINPPCTRPU-MSOLQXFVSA-N 2 2 352.482 3.459 10 0 FGAELP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1C ZINC000246123928 497630426 /nfs/dbraw/zinc/63/04/26/497630426.db2.gz LQXBWCDZPVBJDW-ROUUACIJSA-N 2 2 352.482 3.459 10 0 FGAELP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1C ZINC000246123928 497630430 /nfs/dbraw/zinc/63/04/30/497630430.db2.gz LQXBWCDZPVBJDW-ROUUACIJSA-N 2 2 352.482 3.459 10 0 FGAELP C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246188858 497652880 /nfs/dbraw/zinc/65/28/80/497652880.db2.gz VWODYOHUJHVKLW-RDJZCZTQSA-N 2 2 372.900 3.174 10 0 FGAELP C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246188858 497652884 /nfs/dbraw/zinc/65/28/84/497652884.db2.gz VWODYOHUJHVKLW-RDJZCZTQSA-N 2 2 372.900 3.174 10 0 FGAELP Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246191400 497654138 /nfs/dbraw/zinc/65/41/38/497654138.db2.gz WHALTMHDJUQRBA-CVEARBPZSA-N 2 2 356.445 3.290 10 0 FGAELP Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246191400 497654141 /nfs/dbraw/zinc/65/41/41/497654141.db2.gz WHALTMHDJUQRBA-CVEARBPZSA-N 2 2 356.445 3.290 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccccc3C)C2)[nH+]1 ZINC000246206470 497660909 /nfs/dbraw/zinc/66/09/09/497660909.db2.gz YOSHCBXZKMCSNG-ROUUACIJSA-N 2 2 352.482 3.459 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccccc3C)C2)[nH+]1 ZINC000246206470 497660912 /nfs/dbraw/zinc/66/09/12/497660912.db2.gz YOSHCBXZKMCSNG-ROUUACIJSA-N 2 2 352.482 3.459 10 0 FGAELP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)CC2 ZINC000328625171 498879263 /nfs/dbraw/zinc/87/92/63/498879263.db2.gz CWCDQBYDRVEQCR-VCOUNFBDSA-N 2 2 351.494 3.230 10 0 FGAELP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)CC2 ZINC000328625171 498879269 /nfs/dbraw/zinc/87/92/69/498879269.db2.gz CWCDQBYDRVEQCR-VCOUNFBDSA-N 2 2 351.494 3.230 10 0 FGAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2cc(Cl)ccc2O)nc[nH+]1 ZINC000185992150 712706575 /nfs/dbraw/zinc/70/65/75/712706575.db2.gz KADCMPMQVPGZPE-GXTWGEPZSA-N 2 2 361.877 3.197 10 0 FGAELP COc1ccccc1CC[N@@H+]1CCC[C@H](C[NH+](C)Cc2ccccn2)C1 ZINC000055226384 205211001 /nfs/dbraw/zinc/21/10/01/205211001.db2.gz NGHTWZOSOQZLIE-LJQANCHMSA-N 2 2 353.510 3.477 10 0 FGAELP COc1ccccc1CC[N@H+]1CCC[C@H](C[NH+](C)Cc2ccccn2)C1 ZINC000055226384 205211002 /nfs/dbraw/zinc/21/10/02/205211002.db2.gz NGHTWZOSOQZLIE-LJQANCHMSA-N 2 2 353.510 3.477 10 0 FGAELP COc1ccccc1CC[NH+]1CCC[C@H](C[N@H+](C)Cc2ccccn2)C1 ZINC000055226384 205211006 /nfs/dbraw/zinc/21/10/06/205211006.db2.gz NGHTWZOSOQZLIE-LJQANCHMSA-N 2 2 353.510 3.477 10 0 FGAELP COc1ccccc1CC[NH+]1CCC[C@H](C[N@@H+](C)Cc2ccccn2)C1 ZINC000055226384 205211009 /nfs/dbraw/zinc/21/10/09/205211009.db2.gz NGHTWZOSOQZLIE-LJQANCHMSA-N 2 2 353.510 3.477 10 0 FGAELP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000076471215 493899559 /nfs/dbraw/zinc/89/95/59/493899559.db2.gz KJVHUSCXFULXKY-QFBILLFUSA-N 2 2 355.486 3.059 10 0 FGAELP COc1ccccc1/C=C/C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000121217015 494650870 /nfs/dbraw/zinc/65/08/70/494650870.db2.gz BWRVZKASKBXMST-VMPITWQZSA-N 2 2 354.498 3.001 10 0 FGAELP COc1ccccc1/C=C/C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000121217015 494650879 /nfs/dbraw/zinc/65/08/79/494650879.db2.gz BWRVZKASKBXMST-VMPITWQZSA-N 2 2 354.498 3.001 10 0 FGAELP CCc1[nH+]c2ccccc2n1C1CC[NH+](C[C@@H](O)COC(C)(C)C)CC1 ZINC000093300289 494863815 /nfs/dbraw/zinc/86/38/15/494863815.db2.gz YHSHORPEBWUMJY-QGZVFWFLSA-N 2 2 359.514 3.412 10 0 FGAELP O=C1[C@@H]([N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CCN1c1ccccc1Cl ZINC000111212800 495049390 /nfs/dbraw/zinc/04/93/90/495049390.db2.gz VZUMKDVVGGKSKS-QAPCUYQASA-N 2 2 370.884 3.274 10 0 FGAELP O=C1[C@@H]([N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CCN1c1ccccc1Cl ZINC000111212800 495049393 /nfs/dbraw/zinc/04/93/93/495049393.db2.gz VZUMKDVVGGKSKS-QAPCUYQASA-N 2 2 370.884 3.274 10 0 FGAELP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000123310318 495112747 /nfs/dbraw/zinc/11/27/47/495112747.db2.gz VSCBCIYCHLWTHA-OXJNMPFZSA-N 2 2 367.497 3.121 10 0 FGAELP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cc1 ZINC000123310318 495112749 /nfs/dbraw/zinc/11/27/49/495112749.db2.gz VSCBCIYCHLWTHA-OXJNMPFZSA-N 2 2 367.497 3.121 10 0 FGAELP CCOc1ccc(NC(=O)CC[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000136956181 495412657 /nfs/dbraw/zinc/41/26/57/495412657.db2.gz FONJEOJBTIOWBD-QGZVFWFLSA-N 2 2 368.481 3.243 10 0 FGAELP CCOc1ccc(NC(=O)CC[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000136956181 495412660 /nfs/dbraw/zinc/41/26/60/495412660.db2.gz FONJEOJBTIOWBD-QGZVFWFLSA-N 2 2 368.481 3.243 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cn2)C1 ZINC000106215622 495434895 /nfs/dbraw/zinc/43/48/95/495434895.db2.gz WWYCJKOXZKJRDL-DZGCQCFKSA-N 2 2 361.877 3.158 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cn2)C1 ZINC000106215622 495434897 /nfs/dbraw/zinc/43/48/97/495434897.db2.gz WWYCJKOXZKJRDL-DZGCQCFKSA-N 2 2 361.877 3.158 10 0 FGAELP C[NH+](C)[C@H](Cc1ccccc1)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000106456102 495457113 /nfs/dbraw/zinc/45/71/13/495457113.db2.gz HKQRDZLIFXXNFI-GOSISDBHSA-N 2 2 372.538 3.240 10 0 FGAELP C[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173458399 495538968 /nfs/dbraw/zinc/53/89/68/495538968.db2.gz ZPNAOKPIZGJJKY-RYRKJORJSA-N 2 2 355.486 3.057 10 0 FGAELP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(F)c(Br)c1 ZINC000151258719 495786566 /nfs/dbraw/zinc/78/65/66/495786566.db2.gz YTPVLWLMZXKFBP-GXTWGEPZSA-N 2 2 359.283 3.086 10 0 FGAELP O[C@H](C[NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21)C[NH+]1CCCCC1 ZINC000151348743 495812231 /nfs/dbraw/zinc/81/22/31/495812231.db2.gz TVLPYKRPYBKJFY-PBHICJAKSA-N 2 2 358.404 3.009 10 0 FGAELP C[C@H]1CCc2ccccc2N1C(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171643838 495962715 /nfs/dbraw/zinc/96/27/15/495962715.db2.gz HYMKSBGRGHTZAO-ZWKOTPCHSA-N 2 2 364.493 3.183 10 0 FGAELP C[C@H]1CCc2ccccc2N1C(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171643838 495962719 /nfs/dbraw/zinc/96/27/19/495962719.db2.gz HYMKSBGRGHTZAO-ZWKOTPCHSA-N 2 2 364.493 3.183 10 0 FGAELP C[C@H](NC(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)c1ccccc1Cl ZINC000171645843 495963852 /nfs/dbraw/zinc/96/38/52/495963852.db2.gz MVCCHBQOMPCXSU-JKSUJKDBSA-N 2 2 372.900 3.346 10 0 FGAELP C[C@H](NC(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)c1ccccc1Cl ZINC000171645843 495963858 /nfs/dbraw/zinc/96/38/58/495963858.db2.gz MVCCHBQOMPCXSU-JKSUJKDBSA-N 2 2 372.900 3.346 10 0 FGAELP CCO[C@H]1C[C@H]([NH2+]Cc2c[nH+]c(C)n2-c2ccccc2)C12CCOCC2 ZINC000186365796 495966754 /nfs/dbraw/zinc/96/67/54/495966754.db2.gz LSXOORHYSNJKLV-PMACEKPBSA-N 2 2 355.482 3.245 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@H+](Cc3nc(-c4cccs4)no3)C2)[nH+]1 ZINC000171649586 495969016 /nfs/dbraw/zinc/96/90/16/495969016.db2.gz FRRSVXAIIVQKCB-CQSZACIVSA-N 2 2 355.467 3.436 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3nc(-c4cccs4)no3)C2)[nH+]1 ZINC000171649586 495969021 /nfs/dbraw/zinc/96/90/21/495969021.db2.gz FRRSVXAIIVQKCB-CQSZACIVSA-N 2 2 355.467 3.436 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)Nc3ccc(F)c(F)c3)C2)[nH+]1 ZINC000171653579 495974250 /nfs/dbraw/zinc/97/42/50/495974250.db2.gz FKSRHWFKSKCTDZ-CQSZACIVSA-N 2 2 360.408 3.041 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)Nc3ccc(F)c(F)c3)C2)[nH+]1 ZINC000171653579 495974257 /nfs/dbraw/zinc/97/42/57/495974257.db2.gz FKSRHWFKSKCTDZ-CQSZACIVSA-N 2 2 360.408 3.041 10 0 FGAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](c2ccccc2)c2ccccn2)nc[nH+]1 ZINC000180851137 496170896 /nfs/dbraw/zinc/17/08/96/496170896.db2.gz LJJAHUXETQDDAI-AVRDEDQJSA-N 2 2 374.492 3.261 10 0 FGAELP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)C12CCOCC2 ZINC000186876940 496191786 /nfs/dbraw/zinc/19/17/86/496191786.db2.gz PIYGTQHZHXXUSZ-FDFHNCONSA-N 2 2 372.553 3.461 10 0 FGAELP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)C12CCOCC2 ZINC000186876940 496191790 /nfs/dbraw/zinc/19/17/90/496191790.db2.gz PIYGTQHZHXXUSZ-FDFHNCONSA-N 2 2 372.553 3.461 10 0 FGAELP CC(C)C[NH+]1CCC(NC(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000175351220 496351005 /nfs/dbraw/zinc/35/10/05/496351005.db2.gz ASQDYIMNLVBXDH-QGZVFWFLSA-N 2 2 369.513 3.353 10 0 FGAELP CCn1cnnc1[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000191979677 496952239 /nfs/dbraw/zinc/95/22/39/496952239.db2.gz SYAJBRYBOKKYFJ-SFHVURJKSA-N 2 2 350.470 3.172 10 0 FGAELP CCn1cnnc1[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000191979677 496952243 /nfs/dbraw/zinc/95/22/43/496952243.db2.gz SYAJBRYBOKKYFJ-SFHVURJKSA-N 2 2 350.470 3.172 10 0 FGAELP Cc1nc(C)n(C[C@H]2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3C)C2)n1 ZINC000192007367 496961888 /nfs/dbraw/zinc/96/18/88/496961888.db2.gz YYGWNUPBWPJSLN-IBGZPJMESA-N 2 2 364.497 3.301 10 0 FGAELP Cc1nc(C)n(C[C@H]2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3C)C2)n1 ZINC000192007367 496961892 /nfs/dbraw/zinc/96/18/92/496961892.db2.gz YYGWNUPBWPJSLN-IBGZPJMESA-N 2 2 364.497 3.301 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2nc(-c3ccccc3F)no2)C1 ZINC000189013344 496977469 /nfs/dbraw/zinc/97/74/69/496977469.db2.gz UQUMODCDZZPDIB-CQSZACIVSA-N 2 2 355.417 3.472 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2nc(-c3ccccc3F)no2)C1 ZINC000189013344 496977473 /nfs/dbraw/zinc/97/74/73/496977473.db2.gz UQUMODCDZZPDIB-CQSZACIVSA-N 2 2 355.417 3.472 10 0 FGAELP COc1ccccc1NC(=O)C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189885495 497281125 /nfs/dbraw/zinc/28/11/25/497281125.db2.gz XLTOMUZTRCPHAG-OAHLLOKOSA-N 2 2 350.422 3.170 10 0 FGAELP C[C@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1nnnn1-c1ccccc1 ZINC000189917393 497292686 /nfs/dbraw/zinc/29/26/86/497292686.db2.gz ZLRNBCRCOXTXBG-HOTGVXAUSA-N 2 2 359.437 3.260 10 0 FGAELP [NH3+]C[C@H](NC(=O)c1ccccc1SCc1cn2ccccc2[nH+]1)C1CC1 ZINC000237912458 497312664 /nfs/dbraw/zinc/31/26/64/497312664.db2.gz WNCOOSOZCKVXOG-KRWDZBQOSA-N 2 2 366.490 3.094 10 0 FGAELP CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000190431962 497478320 /nfs/dbraw/zinc/47/83/20/497478320.db2.gz SXLZMMKNUKDNOP-HOTGVXAUSA-N 2 2 374.451 3.130 10 0 FGAELP COC(=O)c1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3scnc3C)C2)cc1 ZINC000190470287 497493218 /nfs/dbraw/zinc/49/32/18/497493218.db2.gz TUOPMWOAHLXYNX-KRWDZBQOSA-N 2 2 373.522 3.192 10 0 FGAELP COC(=O)c1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3scnc3C)C2)cc1 ZINC000190470287 497493221 /nfs/dbraw/zinc/49/32/21/497493221.db2.gz TUOPMWOAHLXYNX-KRWDZBQOSA-N 2 2 373.522 3.192 10 0 FGAELP COC(=O)c1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3scnc3C)C2)cc1 ZINC000190470287 497493226 /nfs/dbraw/zinc/49/32/26/497493226.db2.gz TUOPMWOAHLXYNX-KRWDZBQOSA-N 2 2 373.522 3.192 10 0 FGAELP [NH3+]CC1(C(=O)Nc2ccc3[nH]c(C4CCCCC4)[nH+]c3c2)CCOCC1 ZINC000262142448 497515945 /nfs/dbraw/zinc/51/59/45/497515945.db2.gz HHEQBKAXOLBEOO-UHFFFAOYSA-N 2 2 356.470 3.305 10 0 FGAELP CC(=O)N(Cc1ccsc1)[C@H]1CC12CC[NH+](CCCn1cc[nH+]c1)CC2 ZINC000276537369 497595543 /nfs/dbraw/zinc/59/55/43/497595543.db2.gz RGZXCGIKTHJKMH-IBGZPJMESA-N 2 2 372.538 3.238 10 0 FGAELP CC(=O)c1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246108151 497623768 /nfs/dbraw/zinc/62/37/68/497623768.db2.gz IWSKZMYEYJELDD-WBVHZDCISA-N 2 2 366.465 3.045 10 0 FGAELP CC(=O)c1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246108151 497623775 /nfs/dbraw/zinc/62/37/75/497623775.db2.gz IWSKZMYEYJELDD-WBVHZDCISA-N 2 2 366.465 3.045 10 0 FGAELP C[N@H+](Cc1cnc(-c2ccco2)s1)C1CC[NH+](CCn2cccn2)CC1 ZINC000194385853 497651254 /nfs/dbraw/zinc/65/12/54/497651254.db2.gz XIEPQQGZAIOUKK-UHFFFAOYSA-N 2 2 371.510 3.196 10 0 FGAELP C[N@@H+](Cc1cnc(-c2ccco2)s1)C1CC[NH+](CCn2cccn2)CC1 ZINC000194385853 497651258 /nfs/dbraw/zinc/65/12/58/497651258.db2.gz XIEPQQGZAIOUKK-UHFFFAOYSA-N 2 2 371.510 3.196 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@H](C)C(=O)Nc3cccc(F)c3)C2)[nH+]1 ZINC000246206013 497660668 /nfs/dbraw/zinc/66/06/68/497660668.db2.gz YKOOESIAYINLIO-CVEARBPZSA-N 2 2 356.445 3.290 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@H+]([C@H](C)C(=O)Nc3cccc(F)c3)C2)[nH+]1 ZINC000246206013 497660673 /nfs/dbraw/zinc/66/06/73/497660673.db2.gz YKOOESIAYINLIO-CVEARBPZSA-N 2 2 356.445 3.290 10 0 FGAELP Cc1ccc(N2CCC(Nc3cc(N4CCC[C@@H](C)C4)nc[nH+]3)CC2)[nH+]c1 ZINC000301390833 498089814 /nfs/dbraw/zinc/08/98/14/498089814.db2.gz GPUZDEZVPYVFRH-QGZVFWFLSA-N 2 2 366.513 3.497 10 0 FGAELP Cc1nc(N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c2c([nH+]1)CCCC2 ZINC000302057821 498389889 /nfs/dbraw/zinc/38/98/89/498389889.db2.gz RIXGYOFESLCNCG-HNAYVOBHSA-N 2 2 351.498 3.381 10 0 FGAELP Cc1nc(N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c2c([nH+]1)CCCC2 ZINC000302057821 498389895 /nfs/dbraw/zinc/38/98/95/498389895.db2.gz RIXGYOFESLCNCG-HNAYVOBHSA-N 2 2 351.498 3.381 10 0 FGAELP O[C@@H](C[NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)COCc1cccs1 ZINC000379658369 499542851 /nfs/dbraw/zinc/54/28/51/499542851.db2.gz WDKLRTOQCCPGBM-PMACEKPBSA-N 2 2 374.550 3.270 10 0 FGAELP O[C@@H](C[NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1)COCc1cccs1 ZINC000379658369 499542852 /nfs/dbraw/zinc/54/28/52/499542852.db2.gz WDKLRTOQCCPGBM-PMACEKPBSA-N 2 2 374.550 3.270 10 0 FGAELP Cc1ccc(Cl)cc1Nc1[nH+]cnc(N(C)C2CC[NH+](C)CC2)c1N ZINC000040705085 205077759 /nfs/dbraw/zinc/07/77/59/205077759.db2.gz JOEZGBZAEXIZNU-UHFFFAOYSA-N 2 2 360.893 3.295 10 0 FGAELP COCCn1c[nH+]cc1C[NH2+]Cc1cnc(Nc2ccccc2F)s1 ZINC000063881588 205296013 /nfs/dbraw/zinc/29/60/13/205296013.db2.gz HXBZNMKKETVYMQ-UHFFFAOYSA-N 2 2 361.446 3.159 10 0 FGAELP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1nnc2n1CCCC2 ZINC000249037895 257371296 /nfs/dbraw/zinc/37/12/96/257371296.db2.gz TWZWGQFRQRZRFJ-FFGOWVMKSA-N 2 2 365.525 3.461 10 0 FGAELP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1nnc2n1CCCC2 ZINC000249037895 257371297 /nfs/dbraw/zinc/37/12/97/257371297.db2.gz TWZWGQFRQRZRFJ-FFGOWVMKSA-N 2 2 365.525 3.461 10 0 FGAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+](C)Cc3ccc(F)c(F)c3)c2cc1C ZINC000051314431 493960726 /nfs/dbraw/zinc/96/07/26/493960726.db2.gz AHYFXSARLGIULI-INIZCTEOSA-N 2 2 359.420 3.424 10 0 FGAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+](C)Cc3ccc(F)c(F)c3)c2cc1C ZINC000051314431 493960732 /nfs/dbraw/zinc/96/07/32/493960732.db2.gz AHYFXSARLGIULI-INIZCTEOSA-N 2 2 359.420 3.424 10 0 FGAELP C[C@H](NC(=O)NCCC[N@@H+]1CCCC[C@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000073530130 494384219 /nfs/dbraw/zinc/38/42/19/494384219.db2.gz ZGLXWQHZNIUAPE-MSOLQXFVSA-N 2 2 369.513 3.497 10 0 FGAELP C[C@H](NC(=O)NCCC[N@H+]1CCCC[C@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000073530130 494384225 /nfs/dbraw/zinc/38/42/25/494384225.db2.gz ZGLXWQHZNIUAPE-MSOLQXFVSA-N 2 2 369.513 3.497 10 0 FGAELP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000073828115 494436035 /nfs/dbraw/zinc/43/60/35/494436035.db2.gz LPYGRYBAOWMBAS-KURKYZTESA-N 2 2 369.513 3.353 10 0 FGAELP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000073828115 494436040 /nfs/dbraw/zinc/43/60/40/494436040.db2.gz LPYGRYBAOWMBAS-KURKYZTESA-N 2 2 369.513 3.353 10 0 FGAELP CC[C@@H]1CN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC[N@@H+]1CCOC ZINC000117302883 494909413 /nfs/dbraw/zinc/90/94/13/494909413.db2.gz HHEBTIYOSHADHU-GOSISDBHSA-N 2 2 369.465 3.057 10 0 FGAELP CC[C@@H]1CN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC[N@H+]1CCOC ZINC000117302883 494909418 /nfs/dbraw/zinc/90/94/18/494909418.db2.gz HHEBTIYOSHADHU-GOSISDBHSA-N 2 2 369.465 3.057 10 0 FGAELP COCC[N@@H+]1CCN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C[C@H]1C ZINC000117459079 494922832 /nfs/dbraw/zinc/92/28/32/494922832.db2.gz LRUQCKLANGCDQI-MRXNPFEDSA-N 2 2 370.453 3.058 10 0 FGAELP COCC[N@H+]1CCN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C[C@H]1C ZINC000117459079 494922834 /nfs/dbraw/zinc/92/28/34/494922834.db2.gz LRUQCKLANGCDQI-MRXNPFEDSA-N 2 2 370.453 3.058 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccc(O[C@@H](C)C(=O)OC)cc2)C1 ZINC000122947698 495057547 /nfs/dbraw/zinc/05/75/47/495057547.db2.gz WDTLZJVYEKSQLY-WMZOPIPTSA-N 2 2 371.481 3.223 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccc(O[C@@H](C)C(=O)OC)cc2)C1 ZINC000122947698 495057550 /nfs/dbraw/zinc/05/75/50/495057550.db2.gz WDTLZJVYEKSQLY-WMZOPIPTSA-N 2 2 371.481 3.223 10 0 FGAELP CSc1ccc([C@H](C)[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000098144428 495061820 /nfs/dbraw/zinc/06/18/20/495061820.db2.gz XILVYKAWENMOKK-JXFKEZNVSA-N 2 2 356.535 3.478 10 0 FGAELP CSc1ccc([C@H](C)[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000098144428 495061823 /nfs/dbraw/zinc/06/18/23/495061823.db2.gz XILVYKAWENMOKK-JXFKEZNVSA-N 2 2 356.535 3.478 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCC(=O)NCc2ccccc2Cl)C1 ZINC000106214441 495433435 /nfs/dbraw/zinc/43/34/35/495433435.db2.gz YSKLMBXMZPDYBB-QGZVFWFLSA-N 2 2 374.916 3.442 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCC(=O)NCc2ccccc2Cl)C1 ZINC000106214441 495433438 /nfs/dbraw/zinc/43/34/38/495433438.db2.gz YSKLMBXMZPDYBB-QGZVFWFLSA-N 2 2 374.916 3.442 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NCc2ccccc2Cl)C1 ZINC000106215176 495434419 /nfs/dbraw/zinc/43/44/19/495434419.db2.gz YFZWEDMCICCEIT-RDJZCZTQSA-N 2 2 374.916 3.441 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)NCc2ccccc2Cl)C1 ZINC000106215176 495434425 /nfs/dbraw/zinc/43/44/25/495434425.db2.gz YFZWEDMCICCEIT-RDJZCZTQSA-N 2 2 374.916 3.441 10 0 FGAELP C[C@H](NC(=O)NCC[N@H+](C)C1CCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000176476108 495664460 /nfs/dbraw/zinc/66/44/60/495664460.db2.gz FKDLTWZAHFTCGP-INIZCTEOSA-N 2 2 355.486 3.107 10 0 FGAELP C[C@H](NC(=O)NCC[N@@H+](C)C1CCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000176476108 495664464 /nfs/dbraw/zinc/66/44/64/495664464.db2.gz FKDLTWZAHFTCGP-INIZCTEOSA-N 2 2 355.486 3.107 10 0 FGAELP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(F)cc1Br ZINC000151274826 495790276 /nfs/dbraw/zinc/79/02/76/495790276.db2.gz QFDUPVBCBVGNDY-JSGCOSHPSA-N 2 2 359.283 3.086 10 0 FGAELP COc1ccc([C@H](C)C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1 ZINC000180095522 495855990 /nfs/dbraw/zinc/85/59/90/495855990.db2.gz RIIWDMJGMBYHDQ-GOSISDBHSA-N 2 2 356.514 3.092 10 0 FGAELP COc1ccc([C@H](C)C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1 ZINC000180095522 495855996 /nfs/dbraw/zinc/85/59/96/495855996.db2.gz RIIWDMJGMBYHDQ-GOSISDBHSA-N 2 2 356.514 3.092 10 0 FGAELP Cc1ccc([C@H](C)NC(=O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1C ZINC000171645935 495964697 /nfs/dbraw/zinc/96/46/97/495964697.db2.gz DZIDKXWLCJDMHJ-RBUKOAKNSA-N 2 2 366.509 3.310 10 0 FGAELP Cc1ccc([C@H](C)NC(=O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1C ZINC000171645935 495964700 /nfs/dbraw/zinc/96/47/00/495964700.db2.gz DZIDKXWLCJDMHJ-RBUKOAKNSA-N 2 2 366.509 3.310 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000181413162 496385500 /nfs/dbraw/zinc/38/55/00/496385500.db2.gz AYHZDNFFLFHGDY-INIZCTEOSA-N 2 2 374.851 3.229 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000181413162 496385505 /nfs/dbraw/zinc/38/55/05/496385505.db2.gz AYHZDNFFLFHGDY-INIZCTEOSA-N 2 2 374.851 3.229 10 0 FGAELP C[C@H](NC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000246971337 496739325 /nfs/dbraw/zinc/73/93/25/496739325.db2.gz JCWJITLZAYEPGV-RYQLBKOJSA-N 2 2 355.486 3.105 10 0 FGAELP C[C@@H](NC(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000247389023 496848746 /nfs/dbraw/zinc/84/87/46/496848746.db2.gz GIWAHUKCRRTATC-FGTMMUONSA-N 2 2 369.513 3.353 10 0 FGAELP C[C@@H](NC(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000247389023 496848753 /nfs/dbraw/zinc/84/87/53/496848753.db2.gz GIWAHUKCRRTATC-FGTMMUONSA-N 2 2 369.513 3.353 10 0 FGAELP COC(=O)c1cccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3scnc3C)C2)c1 ZINC000195251161 496862445 /nfs/dbraw/zinc/86/24/45/496862445.db2.gz CKUAWIDTUMGXHN-QGZVFWFLSA-N 2 2 373.522 3.192 10 0 FGAELP COC(=O)c1cccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3scnc3C)C2)c1 ZINC000195251161 496862449 /nfs/dbraw/zinc/86/24/49/496862449.db2.gz CKUAWIDTUMGXHN-QGZVFWFLSA-N 2 2 373.522 3.192 10 0 FGAELP COC(=O)c1cccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3scnc3C)C2)c1 ZINC000195251161 496862453 /nfs/dbraw/zinc/86/24/53/496862453.db2.gz CKUAWIDTUMGXHN-QGZVFWFLSA-N 2 2 373.522 3.192 10 0 FGAELP COC(=O)c1cccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3scnc3C)C2)c1 ZINC000195251161 496862459 /nfs/dbraw/zinc/86/24/59/496862459.db2.gz CKUAWIDTUMGXHN-QGZVFWFLSA-N 2 2 373.522 3.192 10 0 FGAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CC(=O)NC2CCCCCCC2)C1 ZINC000195294960 496879805 /nfs/dbraw/zinc/87/98/05/496879805.db2.gz CYJJFEJWPFZWFY-HXUWFJFHSA-N 2 2 372.557 3.064 10 0 FGAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CC(=O)NC2CCCCCCC2)C1 ZINC000195294960 496879810 /nfs/dbraw/zinc/87/98/10/496879810.db2.gz CYJJFEJWPFZWFY-HXUWFJFHSA-N 2 2 372.557 3.064 10 0 FGAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](CC(=O)NC2CCCCCCC2)C1 ZINC000195294960 496879814 /nfs/dbraw/zinc/87/98/14/496879814.db2.gz CYJJFEJWPFZWFY-HXUWFJFHSA-N 2 2 372.557 3.064 10 0 FGAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CC(=O)NC2CCCCCCC2)C1 ZINC000195294960 496879818 /nfs/dbraw/zinc/87/98/18/496879818.db2.gz CYJJFEJWPFZWFY-HXUWFJFHSA-N 2 2 372.557 3.064 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2C(C)=O)C1 ZINC000247812557 496917528 /nfs/dbraw/zinc/91/75/28/496917528.db2.gz VHAIYYSSBQCGOA-WBVHZDCISA-N 2 2 368.481 3.312 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2C(C)=O)C1 ZINC000247812557 496917533 /nfs/dbraw/zinc/91/75/33/496917533.db2.gz VHAIYYSSBQCGOA-WBVHZDCISA-N 2 2 368.481 3.312 10 0 FGAELP CCO[C@@H]1C[C@H]([NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)C12CCOCC2 ZINC000248922709 497135583 /nfs/dbraw/zinc/13/55/83/497135583.db2.gz FITIHSHFGVKZRB-BVOGOJNSSA-N 2 2 358.526 3.071 10 0 FGAELP CCO[C@@H]1C[C@H]([NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C12CCOCC2 ZINC000248922709 497135587 /nfs/dbraw/zinc/13/55/87/497135587.db2.gz FITIHSHFGVKZRB-BVOGOJNSSA-N 2 2 358.526 3.071 10 0 FGAELP CCO[C@@H]1C[C@@H]([NH2+]C[C@H](c2cccs2)[NH+]2CCCC2)C12CCOCC2 ZINC000248985712 497144913 /nfs/dbraw/zinc/14/49/13/497144913.db2.gz JVXPTLSPGYXBHX-BHIYHBOVSA-N 2 2 364.555 3.449 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@@H](C)c3ccc(S(C)(=O)=O)cc3)C2)[nH+]1 ZINC000189896398 497284191 /nfs/dbraw/zinc/28/41/91/497284191.db2.gz DZVMKLXAHYFKFO-IRXDYDNUSA-N 2 2 373.522 3.289 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@H+]([C@@H](C)c3ccc(S(C)(=O)=O)cc3)C2)[nH+]1 ZINC000189896398 497284197 /nfs/dbraw/zinc/28/41/97/497284197.db2.gz DZVMKLXAHYFKFO-IRXDYDNUSA-N 2 2 373.522 3.289 10 0 FGAELP C[C@H]1CCCN(c2cc(N3CC[NH+](Cc4ccccc4)CC3)nc[nH+]2)C1 ZINC000244190735 497364189 /nfs/dbraw/zinc/36/41/89/497364189.db2.gz VNCQUTFCBYUBKJ-SFHVURJKSA-N 2 2 351.498 3.035 10 0 FGAELP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(Br)c(Br)c3)C[C@H]12 ZINC000261564375 497416020 /nfs/dbraw/zinc/41/60/20/497416020.db2.gz HHVWEQZMPNBRKH-COPLHBTASA-N 2 2 374.120 3.381 10 0 FGAELP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(Br)c(Br)c3)C[C@H]12 ZINC000261564375 497416023 /nfs/dbraw/zinc/41/60/23/497416023.db2.gz HHVWEQZMPNBRKH-COPLHBTASA-N 2 2 374.120 3.381 10 0 FGAELP [NH3+]C[C@@H]1C[N@H+](Cc2cn(-c3ccc(Cl)cc3)nn2)C[C@H]1c1ccccc1 ZINC000261694359 497434428 /nfs/dbraw/zinc/43/44/28/497434428.db2.gz JHEBASMBGNDUNH-UZLBHIALSA-N 2 2 367.884 3.095 10 0 FGAELP [NH3+]C[C@@H]1C[N@@H+](Cc2cn(-c3ccc(Cl)cc3)nn2)C[C@H]1c1ccccc1 ZINC000261694359 497434430 /nfs/dbraw/zinc/43/44/30/497434430.db2.gz JHEBASMBGNDUNH-UZLBHIALSA-N 2 2 367.884 3.095 10 0 FGAELP Cc1nc(C)c(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3scnc3C)C2)s1 ZINC000190466812 497491107 /nfs/dbraw/zinc/49/11/07/497491107.db2.gz IXYOLMONRJGAKY-HNNXBMFYSA-N 2 2 350.557 3.479 10 0 FGAELP Cc1nc(C)c(C[NH+]2CC[C@@H](C[N@H+](C)Cc3scnc3C)C2)s1 ZINC000190466812 497491111 /nfs/dbraw/zinc/49/11/11/497491111.db2.gz IXYOLMONRJGAKY-HNNXBMFYSA-N 2 2 350.557 3.479 10 0 FGAELP Cc1nc(C)c(C[N@H+]2CC[C@@H](C[NH+](C)Cc3scnc3C)C2)s1 ZINC000190466812 497491116 /nfs/dbraw/zinc/49/11/16/497491116.db2.gz IXYOLMONRJGAKY-HNNXBMFYSA-N 2 2 350.557 3.479 10 0 FGAELP Cc1nc(C)c(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3scnc3C)C2)s1 ZINC000190466812 497491119 /nfs/dbraw/zinc/49/11/19/497491119.db2.gz IXYOLMONRJGAKY-HNNXBMFYSA-N 2 2 350.557 3.479 10 0 FGAELP C[C@@H]1CC[N@H+](C[C@H](O)CO[C@@H]2CCCc3ccccc32)C[C@H]1n1cc[nH+]c1 ZINC000245743815 497525471 /nfs/dbraw/zinc/52/54/71/497525471.db2.gz XRHJQNYRHRWLEC-HGIWEUDGSA-N 2 2 369.509 3.221 10 0 FGAELP C[C@@H]1CC[N@@H+](C[C@H](O)CO[C@@H]2CCCc3ccccc32)C[C@H]1n1cc[nH+]c1 ZINC000245743815 497525477 /nfs/dbraw/zinc/52/54/77/497525477.db2.gz XRHJQNYRHRWLEC-HGIWEUDGSA-N 2 2 369.509 3.221 10 0 FGAELP COc1c(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c(C)nn1C ZINC000245799573 497541542 /nfs/dbraw/zinc/54/15/42/497541542.db2.gz XQIOPMLEVSYPHC-QFBILLFUSA-N 2 2 356.514 3.222 10 0 FGAELP COc1c(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c(C)nn1C ZINC000245799573 497541546 /nfs/dbraw/zinc/54/15/46/497541546.db2.gz XQIOPMLEVSYPHC-QFBILLFUSA-N 2 2 356.514 3.222 10 0 FGAELP COc1c(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c(C)nn1C ZINC000245799573 497541549 /nfs/dbraw/zinc/54/15/49/497541549.db2.gz XQIOPMLEVSYPHC-QFBILLFUSA-N 2 2 356.514 3.222 10 0 FGAELP COc1c(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c(C)nn1C ZINC000245799573 497541554 /nfs/dbraw/zinc/54/15/54/497541554.db2.gz XQIOPMLEVSYPHC-QFBILLFUSA-N 2 2 356.514 3.222 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H]2CCCN(c3ccccc3F)C2=O)C1 ZINC000245921704 497572540 /nfs/dbraw/zinc/57/25/40/497572540.db2.gz WXFJUSWAAMTEGQ-LPHOPBHVSA-N 2 2 370.472 3.417 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H]2CCCN(c3ccccc3F)C2=O)C1 ZINC000245921704 497572542 /nfs/dbraw/zinc/57/25/42/497572542.db2.gz WXFJUSWAAMTEGQ-LPHOPBHVSA-N 2 2 370.472 3.417 10 0 FGAELP C[C@@H](C(=O)NCc1ccccc1Cl)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246143065 497635754 /nfs/dbraw/zinc/63/57/54/497635754.db2.gz NZUGDKFBVSAWLM-HOTGVXAUSA-N 2 2 372.900 3.174 10 0 FGAELP C[C@@H](C(=O)NCc1ccccc1Cl)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246143065 497635758 /nfs/dbraw/zinc/63/57/58/497635758.db2.gz NZUGDKFBVSAWLM-HOTGVXAUSA-N 2 2 372.900 3.174 10 0 FGAELP C[C@@H](CNC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1)[NH+]1CCC(C)CC1 ZINC000073897948 494443978 /nfs/dbraw/zinc/44/39/78/494443978.db2.gz RLQXHCNXUDOVJU-ROUUACIJSA-N 2 2 369.513 3.353 10 0 FGAELP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000073950331 494455377 /nfs/dbraw/zinc/45/53/77/494455377.db2.gz GZJLFHMEDXXBMU-JKSUJKDBSA-N 2 2 366.469 3.074 10 0 FGAELP COc1c(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c(C)nn1C ZINC000093318347 494868496 /nfs/dbraw/zinc/86/84/96/494868496.db2.gz XQIOPMLEVSYPHC-VQIMIIECSA-N 2 2 356.514 3.222 10 0 FGAELP COc1c(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c(C)nn1C ZINC000093318347 494868497 /nfs/dbraw/zinc/86/84/97/494868497.db2.gz XQIOPMLEVSYPHC-VQIMIIECSA-N 2 2 356.514 3.222 10 0 FGAELP COc1c(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c(C)nn1C ZINC000093318347 494868501 /nfs/dbraw/zinc/86/85/01/494868501.db2.gz XQIOPMLEVSYPHC-VQIMIIECSA-N 2 2 356.514 3.222 10 0 FGAELP COc1c(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c(C)nn1C ZINC000093318347 494868505 /nfs/dbraw/zinc/86/85/05/494868505.db2.gz XQIOPMLEVSYPHC-VQIMIIECSA-N 2 2 356.514 3.222 10 0 FGAELP CCN(CC)C(=O)[C@@H](c1ccccc1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000103473774 495237967 /nfs/dbraw/zinc/23/79/67/495237967.db2.gz CYIVIMYUDIOIEO-WIYYLYMNSA-N 2 2 366.509 3.425 10 0 FGAELP CCN(CC)C(=O)[C@@H](c1ccccc1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000103473774 495237972 /nfs/dbraw/zinc/23/79/72/495237972.db2.gz CYIVIMYUDIOIEO-WIYYLYMNSA-N 2 2 366.509 3.425 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2nc(Cc3ccccc3)no2)C1 ZINC000106213275 495433254 /nfs/dbraw/zinc/43/32/54/495433254.db2.gz PSORBTXMRLZIDT-KRWDZBQOSA-N 2 2 351.454 3.256 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2nc(Cc3ccccc3)no2)C1 ZINC000106213275 495433256 /nfs/dbraw/zinc/43/32/56/495433256.db2.gz PSORBTXMRLZIDT-KRWDZBQOSA-N 2 2 351.454 3.256 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)c2[nH]c(C)c(C(C)=O)c2C)C1 ZINC000106217045 495435648 /nfs/dbraw/zinc/43/56/48/495435648.db2.gz QDIBKAZQAVCMOG-MRXNPFEDSA-N 2 2 356.470 3.113 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)c2[nH]c(C)c(C(C)=O)c2C)C1 ZINC000106217045 495435654 /nfs/dbraw/zinc/43/56/54/495435654.db2.gz QDIBKAZQAVCMOG-MRXNPFEDSA-N 2 2 356.470 3.113 10 0 FGAELP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171644148 495962565 /nfs/dbraw/zinc/96/25/65/495962565.db2.gz GAVMOJVEDIXZIL-APWZRJJASA-N 2 2 368.481 3.241 10 0 FGAELP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171644148 495962568 /nfs/dbraw/zinc/96/25/68/495962568.db2.gz GAVMOJVEDIXZIL-APWZRJJASA-N 2 2 368.481 3.241 10 0 FGAELP Cc1cc(C)c(NC(=O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c(C)c1 ZINC000171647812 495966779 /nfs/dbraw/zinc/96/67/79/495966779.db2.gz XEOLCZNNIKWWEB-SFHVURJKSA-N 2 2 352.482 3.379 10 0 FGAELP Cc1cc(C)c(NC(=O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c(C)c1 ZINC000171647812 495966782 /nfs/dbraw/zinc/96/67/82/495966782.db2.gz XEOLCZNNIKWWEB-SFHVURJKSA-N 2 2 352.482 3.379 10 0 FGAELP CCc1ccccc1NC(=O)C[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000171652227 495972062 /nfs/dbraw/zinc/97/20/62/495972062.db2.gz HLYUXQXRNYAHEV-QGZVFWFLSA-N 2 2 352.482 3.325 10 0 FGAELP CCc1ccccc1NC(=O)C[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000171652227 495972067 /nfs/dbraw/zinc/97/20/67/495972067.db2.gz HLYUXQXRNYAHEV-QGZVFWFLSA-N 2 2 352.482 3.325 10 0 FGAELP CCc1nc2c(s1)[C@H]([NH2+]C[C@@H]1CCCN1c1cc(NC)[nH+]cn1)CCC2 ZINC000180577982 496052111 /nfs/dbraw/zinc/05/21/11/496052111.db2.gz AVTZWMFOGUXJQV-UONOGXRCSA-N 2 2 372.542 3.173 10 0 FGAELP C[C@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C(=O)NCc1ccc(F)cc1 ZINC000180665023 496093713 /nfs/dbraw/zinc/09/37/13/496093713.db2.gz IXWBPVSXEKFPDT-HOTGVXAUSA-N 2 2 366.440 3.367 10 0 FGAELP C[C@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C(=O)NCCc1cccs1 ZINC000180664292 496093863 /nfs/dbraw/zinc/09/38/63/496093863.db2.gz DJLQCHTYSUMVQA-HOTGVXAUSA-N 2 2 368.506 3.332 10 0 FGAELP C[C@H]([NH2+]CC(=O)N([C@@H](C)C1CC1)C1CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180666174 496095241 /nfs/dbraw/zinc/09/52/41/496095241.db2.gz STLKXXCVYFFFLN-HOTGVXAUSA-N 2 2 352.482 3.312 10 0 FGAELP [NH3+][C@@H]1CC[C@H]2CN(C(=O)Cn3c4ccccc4[nH+]c3C3CCCCC3)C[C@@H]12 ZINC000186938487 496220385 /nfs/dbraw/zinc/22/03/85/496220385.db2.gz ULKPBPNQKFRWPX-RCCFBDPRSA-N 2 2 366.509 3.280 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)Nc1cccc2c1N=S=N2 ZINC000178748683 496559273 /nfs/dbraw/zinc/55/92/73/496559273.db2.gz OYSKVLAZMLIMJE-CYBMUJFWSA-N 2 2 356.455 3.021 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)Nc1cccc2c1N=S=N2 ZINC000178748683 496559281 /nfs/dbraw/zinc/55/92/81/496559281.db2.gz OYSKVLAZMLIMJE-CYBMUJFWSA-N 2 2 356.455 3.021 10 0 FGAELP Cc1cc2[nH+]cn(C[C@@H](O)C[NH+]3CCC(c4ccncc4)CC3)c2cc1C ZINC000191659194 496848273 /nfs/dbraw/zinc/84/82/73/496848273.db2.gz OYHWCOUWICMAFG-FQEVSTJZSA-N 2 2 364.493 3.289 10 0 FGAELP CCOC(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000247704099 496908489 /nfs/dbraw/zinc/90/84/89/496908489.db2.gz RNPRESLWCLRFIS-PXNSSMCTSA-N 2 2 353.466 3.428 10 0 FGAELP CCOC(=O)[C@H](c1ccccc1)[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000247704099 496908497 /nfs/dbraw/zinc/90/84/97/496908497.db2.gz RNPRESLWCLRFIS-PXNSSMCTSA-N 2 2 353.466 3.428 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)NCc2ccc(Cl)cc2)C1 ZINC000247767989 496912552 /nfs/dbraw/zinc/91/25/52/496912552.db2.gz OJNUOQVPFUWOSE-QAPCUYQASA-N 2 2 374.916 3.441 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)NCc2ccc(Cl)cc2)C1 ZINC000247767989 496912559 /nfs/dbraw/zinc/91/25/59/496912559.db2.gz OJNUOQVPFUWOSE-QAPCUYQASA-N 2 2 374.916 3.441 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NCc2ccc(Cl)cc2)C1 ZINC000247767988 496912830 /nfs/dbraw/zinc/91/28/30/496912830.db2.gz OJNUOQVPFUWOSE-CRAIPNDOSA-N 2 2 374.916 3.441 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)NCc2ccc(Cl)cc2)C1 ZINC000247767988 496912834 /nfs/dbraw/zinc/91/28/34/496912834.db2.gz OJNUOQVPFUWOSE-CRAIPNDOSA-N 2 2 374.916 3.441 10 0 FGAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](C)CC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000253358893 497328382 /nfs/dbraw/zinc/32/83/82/497328382.db2.gz WHQWXENFBZKRQB-ZIAGYGMSSA-N 2 2 357.420 3.496 10 0 FGAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H](C)CC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000253358893 497328386 /nfs/dbraw/zinc/32/83/86/497328386.db2.gz WHQWXENFBZKRQB-ZIAGYGMSSA-N 2 2 357.420 3.496 10 0 FGAELP CCN(CCC[NH+]1CCCC1)C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000190194475 497393843 /nfs/dbraw/zinc/39/38/43/497393843.db2.gz GERAQVPIRJLZIS-GOSISDBHSA-N 2 2 369.513 3.451 10 0 FGAELP Cc1ncsc1C[N@H+](Cc1ccc(N(C)C(C)C)nc1)C[C@H]1CC[NH2+]C1 ZINC000261758872 497447088 /nfs/dbraw/zinc/44/70/88/497447088.db2.gz CTQCJIWWQDYGKR-SFHVURJKSA-N 2 2 373.570 3.303 10 0 FGAELP Cc1ncsc1C[N@@H+](Cc1ccc(N(C)C(C)C)nc1)C[C@H]1CC[NH2+]C1 ZINC000261758872 497447090 /nfs/dbraw/zinc/44/70/90/497447090.db2.gz CTQCJIWWQDYGKR-SFHVURJKSA-N 2 2 373.570 3.303 10 0 FGAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000190471434 497494240 /nfs/dbraw/zinc/49/42/40/497494240.db2.gz GBXLNKLZGZUJOE-LJQANCHMSA-N 2 2 361.493 3.426 10 0 FGAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000190471434 497494246 /nfs/dbraw/zinc/49/42/46/497494246.db2.gz GBXLNKLZGZUJOE-LJQANCHMSA-N 2 2 361.493 3.426 10 0 FGAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000190471434 497494250 /nfs/dbraw/zinc/49/42/50/497494250.db2.gz GBXLNKLZGZUJOE-LJQANCHMSA-N 2 2 361.493 3.426 10 0 FGAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000190471434 497494256 /nfs/dbraw/zinc/49/42/56/497494256.db2.gz GBXLNKLZGZUJOE-LJQANCHMSA-N 2 2 361.493 3.426 10 0 FGAELP CCOc1cc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)ccc1OC ZINC000190471519 497494584 /nfs/dbraw/zinc/49/45/84/497494584.db2.gz HDKWQXNDBUQWDV-HXUWFJFHSA-N 2 2 369.509 3.443 10 0 FGAELP CCOc1cc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)ccc1OC ZINC000190471519 497494586 /nfs/dbraw/zinc/49/45/86/497494586.db2.gz HDKWQXNDBUQWDV-HXUWFJFHSA-N 2 2 369.509 3.443 10 0 FGAELP CCOc1cc(C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)ccc1OC ZINC000190471519 497494588 /nfs/dbraw/zinc/49/45/88/497494588.db2.gz HDKWQXNDBUQWDV-HXUWFJFHSA-N 2 2 369.509 3.443 10 0 FGAELP CCOc1cc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)ccc1OC ZINC000190471519 497494590 /nfs/dbraw/zinc/49/45/90/497494590.db2.gz HDKWQXNDBUQWDV-HXUWFJFHSA-N 2 2 369.509 3.443 10 0 FGAELP CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1C ZINC000245958442 497584289 /nfs/dbraw/zinc/58/42/89/497584289.db2.gz RLEMCRLIQGQVGB-YOEHRIQHSA-N 2 2 356.470 3.075 10 0 FGAELP CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1C ZINC000245958442 497584291 /nfs/dbraw/zinc/58/42/91/497584291.db2.gz RLEMCRLIQGQVGB-YOEHRIQHSA-N 2 2 356.470 3.075 10 0 FGAELP O[C@H](C[NH2+]Cc1cc(Br)c(Cl)s1)C[NH+]1CCCCC1 ZINC000190855425 497623960 /nfs/dbraw/zinc/62/39/60/497623960.db2.gz ALRYVAOYHXCXES-SNVBAGLBSA-N 2 2 367.740 3.100 10 0 FGAELP C[C@H](C(=O)NCc1ccccc1Cl)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246142287 497635997 /nfs/dbraw/zinc/63/59/97/497635997.db2.gz NZUGDKFBVSAWLM-CVEARBPZSA-N 2 2 372.900 3.174 10 0 FGAELP C[C@H](C(=O)NCc1ccccc1Cl)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246142287 497636001 /nfs/dbraw/zinc/63/60/01/497636001.db2.gz NZUGDKFBVSAWLM-CVEARBPZSA-N 2 2 372.900 3.174 10 0 FGAELP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1C ZINC000246214374 497664171 /nfs/dbraw/zinc/66/41/71/497664171.db2.gz ZWQYVONLJOKUKE-ROUUACIJSA-N 2 2 352.482 3.459 10 0 FGAELP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1C ZINC000246214374 497664174 /nfs/dbraw/zinc/66/41/74/497664174.db2.gz ZWQYVONLJOKUKE-ROUUACIJSA-N 2 2 352.482 3.459 10 0 FGAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H]2CCSc3ccccc32)nc[nH+]1 ZINC000246311522 497692848 /nfs/dbraw/zinc/69/28/48/497692848.db2.gz DTRPAEJFEOQKHV-HOCLYGCPSA-N 2 2 355.511 3.314 10 0 FGAELP Cc1[nH+]ccn1-c1cncc(N2CCC(c3[nH]c4ccccc4[nH+]3)CC2)n1 ZINC000301838978 498288178 /nfs/dbraw/zinc/28/81/78/498288178.db2.gz ZJKGKXMEZBJDGA-UHFFFAOYSA-N 2 2 359.437 3.231 10 0 FGAELP Cc1nc(N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c2c([nH+]1)CCCC2 ZINC000302057819 498388022 /nfs/dbraw/zinc/38/80/22/498388022.db2.gz RIXGYOFESLCNCG-DNVCBOLYSA-N 2 2 351.498 3.381 10 0 FGAELP Cc1nc(N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c2c([nH+]1)CCCC2 ZINC000302057819 498388026 /nfs/dbraw/zinc/38/80/26/498388026.db2.gz RIXGYOFESLCNCG-DNVCBOLYSA-N 2 2 351.498 3.381 10 0 FGAELP CCc1c[nH+]c(C)nc1N1CCC([NH2+]Cc2ccc(OC)cc2OC)CC1 ZINC000095519640 536019576 /nfs/dbraw/zinc/01/95/76/536019576.db2.gz KCZOTGNBUJMCPT-UHFFFAOYSA-N 2 2 370.497 3.123 10 0 FGAELP C[C@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1cc(Cl)ccc1O ZINC000184991802 712680809 /nfs/dbraw/zinc/68/08/09/712680809.db2.gz LBIYBMUBMMGNPI-KSSFIOAISA-N 2 2 360.885 3.115 10 0 FGAELP C[C@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1cc(Cl)ccc1O ZINC000184991802 712680812 /nfs/dbraw/zinc/68/08/12/712680812.db2.gz LBIYBMUBMMGNPI-KSSFIOAISA-N 2 2 360.885 3.115 10 0 FGAELP C[C@H](C[NH+]1CCCC1)[NH2+][C@H](C)c1ccc(I)cc1 ZINC000042598207 205097385 /nfs/dbraw/zinc/09/73/85/205097385.db2.gz IAXIVKVMXQAVOI-CHWSQXEVSA-N 2 2 358.267 3.426 10 0 FGAELP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2ccc3ccccc3n2)CC1 ZINC000077173448 494025942 /nfs/dbraw/zinc/02/59/42/494025942.db2.gz XTUMZHUMYDLPIG-OALUTQOASA-N 2 2 352.526 3.225 10 0 FGAELP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000073950334 494455393 /nfs/dbraw/zinc/45/53/93/494455393.db2.gz GZJLFHMEDXXBMU-HZPDHXFCSA-N 2 2 366.469 3.074 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2OC)C1 ZINC000122901422 495049764 /nfs/dbraw/zinc/04/97/64/495049764.db2.gz KFBFLLHRRWMXDY-MRXNPFEDSA-N 2 2 359.470 3.308 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cc(OC)c(OC)cc2OC)C1 ZINC000122901422 495049769 /nfs/dbraw/zinc/04/97/69/495049769.db2.gz KFBFLLHRRWMXDY-MRXNPFEDSA-N 2 2 359.470 3.308 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2noc(-c3ccc(OC)cc3)n2)C1 ZINC000111229475 495050968 /nfs/dbraw/zinc/05/09/68/495050968.db2.gz DEVNOGHQXIDKTC-INIZCTEOSA-N 2 2 367.453 3.341 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2noc(-c3ccc(OC)cc3)n2)C1 ZINC000111229475 495050970 /nfs/dbraw/zinc/05/09/70/495050970.db2.gz DEVNOGHQXIDKTC-INIZCTEOSA-N 2 2 367.453 3.341 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccccc2N2CCOCC2)C1 ZINC000122935581 495055834 /nfs/dbraw/zinc/05/58/34/495055834.db2.gz CMBPBAKUJVAPOT-LJQANCHMSA-N 2 2 354.498 3.119 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccccc2N2CCOCC2)C1 ZINC000122935581 495055836 /nfs/dbraw/zinc/05/58/36/495055836.db2.gz CMBPBAKUJVAPOT-LJQANCHMSA-N 2 2 354.498 3.119 10 0 FGAELP CCOc1ccccc1NC(=O)CC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000136956959 495412439 /nfs/dbraw/zinc/41/24/39/495412439.db2.gz GXSNHLNGHOCSEV-QGZVFWFLSA-N 2 2 368.481 3.243 10 0 FGAELP CCOc1ccccc1NC(=O)CC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000136956959 495412441 /nfs/dbraw/zinc/41/24/41/495412441.db2.gz GXSNHLNGHOCSEV-QGZVFWFLSA-N 2 2 368.481 3.243 10 0 FGAELP CC(C)c1nc(C[N@@H+](C)CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)no1 ZINC000106127032 495416952 /nfs/dbraw/zinc/41/69/52/495416952.db2.gz PPEMMVGBOIHFGG-LJQANCHMSA-N 2 2 372.513 3.070 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCC(=O)N2CCc3sccc3C2)C1 ZINC000106212135 495432541 /nfs/dbraw/zinc/43/25/41/495432541.db2.gz XIIYWHPTYOOKEW-KRWDZBQOSA-N 2 2 372.538 3.119 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCC(=O)N2CCc3sccc3C2)C1 ZINC000106212135 495432545 /nfs/dbraw/zinc/43/25/45/495432545.db2.gz XIIYWHPTYOOKEW-KRWDZBQOSA-N 2 2 372.538 3.119 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)NC2(c3ccccc3)CCC2)C1 ZINC000106212944 495433150 /nfs/dbraw/zinc/43/31/50/495433150.db2.gz ZSXNTYPQJYRINC-IBGZPJMESA-N 2 2 366.509 3.278 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)NC2(c3ccccc3)CCC2)C1 ZINC000106212944 495433152 /nfs/dbraw/zinc/43/31/52/495433152.db2.gz ZSXNTYPQJYRINC-IBGZPJMESA-N 2 2 366.509 3.278 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NCc2ccc(Cl)cc2)C1 ZINC000106215086 495434111 /nfs/dbraw/zinc/43/41/11/495434111.db2.gz OJNUOQVPFUWOSE-MAUKXSAKSA-N 2 2 374.916 3.441 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NCc2ccc(Cl)cc2)C1 ZINC000106215086 495434112 /nfs/dbraw/zinc/43/41/12/495434112.db2.gz OJNUOQVPFUWOSE-MAUKXSAKSA-N 2 2 374.916 3.441 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)c2[nH]c(C)c(C(C)=O)c2C)C1 ZINC000106217047 495434292 /nfs/dbraw/zinc/43/42/92/495434292.db2.gz QDIBKAZQAVCMOG-INIZCTEOSA-N 2 2 356.470 3.113 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)c2[nH]c(C)c(C(C)=O)c2C)C1 ZINC000106217047 495434298 /nfs/dbraw/zinc/43/42/98/495434298.db2.gz QDIBKAZQAVCMOG-INIZCTEOSA-N 2 2 356.470 3.113 10 0 FGAELP CC(C)c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000107073963 495521843 /nfs/dbraw/zinc/52/18/43/495521843.db2.gz DNJUXQCFPVZTJU-MOPGFXCFSA-N 2 2 369.509 3.379 10 0 FGAELP CC(C)c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000107073963 495521844 /nfs/dbraw/zinc/52/18/44/495521844.db2.gz DNJUXQCFPVZTJU-MOPGFXCFSA-N 2 2 369.509 3.379 10 0 FGAELP C[C@@H](CNC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000176658302 495737334 /nfs/dbraw/zinc/73/73/34/495737334.db2.gz GIWAHUKCRRTATC-SQNIBIBYSA-N 2 2 369.513 3.353 10 0 FGAELP C[C@@H](CNC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000176658302 495737339 /nfs/dbraw/zinc/73/73/39/495737339.db2.gz GIWAHUKCRRTATC-SQNIBIBYSA-N 2 2 369.513 3.353 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000176973770 495864778 /nfs/dbraw/zinc/86/47/78/495864778.db2.gz YTCDFMGVKOGIIZ-GOSISDBHSA-N 2 2 364.453 3.289 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@H](O)COc2cc(C)cc(C)c2)C1 ZINC000155228405 495883448 /nfs/dbraw/zinc/88/34/48/495883448.db2.gz DTSUWOQISMZBAJ-MOPGFXCFSA-N 2 2 357.498 3.139 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@H](O)COc2cc(C)cc(C)c2)C1 ZINC000155228405 495883450 /nfs/dbraw/zinc/88/34/50/495883450.db2.gz DTSUWOQISMZBAJ-MOPGFXCFSA-N 2 2 357.498 3.139 10 0 FGAELP O=C(C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)N(Cc1ccccc1)C1CC1 ZINC000171640971 495960500 /nfs/dbraw/zinc/96/05/00/495960500.db2.gz IJIIXEKBKYFVIM-LJQANCHMSA-N 2 2 364.493 3.007 10 0 FGAELP O=C(C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)N(Cc1ccccc1)C1CC1 ZINC000171640971 495960507 /nfs/dbraw/zinc/96/05/07/495960507.db2.gz IJIIXEKBKYFVIM-LJQANCHMSA-N 2 2 364.493 3.007 10 0 FGAELP COc1ccc(C)cc1NC(=O)C[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000171653476 495973612 /nfs/dbraw/zinc/97/36/12/495973612.db2.gz PXGSKVBORRZVCP-KRWDZBQOSA-N 2 2 368.481 3.080 10 0 FGAELP COc1ccc(C)cc1NC(=O)C[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000171653476 495973619 /nfs/dbraw/zinc/97/36/19/495973619.db2.gz PXGSKVBORRZVCP-KRWDZBQOSA-N 2 2 368.481 3.080 10 0 FGAELP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000177391669 496043660 /nfs/dbraw/zinc/04/36/60/496043660.db2.gz DBHABIDOLSLLJV-LJQANCHMSA-N 2 2 373.545 3.088 10 0 FGAELP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000177391669 496043665 /nfs/dbraw/zinc/04/36/65/496043665.db2.gz DBHABIDOLSLLJV-LJQANCHMSA-N 2 2 373.545 3.088 10 0 FGAELP C[C@@H]([NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)C(=O)NCc1ccccc1F ZINC000180670184 496097060 /nfs/dbraw/zinc/09/70/60/496097060.db2.gz QNBSJMPAJGWZCF-HZPDHXFCSA-N 2 2 366.440 3.367 10 0 FGAELP CC[NH+](CC)CCSCC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173430869 496689770 /nfs/dbraw/zinc/68/97/70/496689770.db2.gz RKAINFDMNPYMMO-MRXNPFEDSA-N 2 2 360.527 3.125 10 0 FGAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000246988543 496744815 /nfs/dbraw/zinc/74/48/15/496744815.db2.gz KBSFARCAGCLNEW-NVXWUHKLSA-N 2 2 351.922 3.151 10 0 FGAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000246988543 496744819 /nfs/dbraw/zinc/74/48/19/496744819.db2.gz KBSFARCAGCLNEW-NVXWUHKLSA-N 2 2 351.922 3.151 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)NCCC2=CCCCC2)C1 ZINC000247780576 496914937 /nfs/dbraw/zinc/91/49/37/496914937.db2.gz RWPPKSJOPIPHIY-MJGOQNOKSA-N 2 2 358.530 3.478 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)NCCC2=CCCCC2)C1 ZINC000247780576 496914940 /nfs/dbraw/zinc/91/49/40/496914940.db2.gz RWPPKSJOPIPHIY-MJGOQNOKSA-N 2 2 358.530 3.478 10 0 FGAELP CCC[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)[NH+](C)C ZINC000247856811 496921281 /nfs/dbraw/zinc/92/12/81/496921281.db2.gz YPRSCOJZQYLXCG-ZACQAIPSSA-N 2 2 355.885 3.071 10 0 FGAELP CCC[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)[NH+](C)C ZINC000247856811 496921284 /nfs/dbraw/zinc/92/12/84/496921284.db2.gz YPRSCOJZQYLXCG-ZACQAIPSSA-N 2 2 355.885 3.071 10 0 FGAELP Cc1nc(C[C@@H]2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3C)C2)no1 ZINC000191991355 496955559 /nfs/dbraw/zinc/95/55/59/496955559.db2.gz ZWPGQCHZWPGXAY-KRWDZBQOSA-N 2 2 351.454 3.327 10 0 FGAELP Cc1nc(C[C@@H]2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3C)C2)no1 ZINC000191991355 496955563 /nfs/dbraw/zinc/95/55/63/496955563.db2.gz ZWPGQCHZWPGXAY-KRWDZBQOSA-N 2 2 351.454 3.327 10 0 FGAELP CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245658254 497490843 /nfs/dbraw/zinc/49/08/43/497490843.db2.gz FCFRWYLIQKWNEG-YRPNKDGESA-N 2 2 365.525 3.461 10 0 FGAELP CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245658254 497490846 /nfs/dbraw/zinc/49/08/46/497490846.db2.gz FCFRWYLIQKWNEG-YRPNKDGESA-N 2 2 365.525 3.461 10 0 FGAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000190478959 497497111 /nfs/dbraw/zinc/49/71/11/497497111.db2.gz JYXHMQUIQDQDOL-SFHVURJKSA-N 2 2 362.477 3.289 10 0 FGAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000190478959 497497117 /nfs/dbraw/zinc/49/71/17/497497117.db2.gz JYXHMQUIQDQDOL-SFHVURJKSA-N 2 2 362.477 3.289 10 0 FGAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000190478959 497497121 /nfs/dbraw/zinc/49/71/21/497497121.db2.gz JYXHMQUIQDQDOL-SFHVURJKSA-N 2 2 362.477 3.289 10 0 FGAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000190478959 497497126 /nfs/dbraw/zinc/49/71/26/497497126.db2.gz JYXHMQUIQDQDOL-SFHVURJKSA-N 2 2 362.477 3.289 10 0 FGAELP CCN(CC)c1ncc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)s1 ZINC000190489098 497501987 /nfs/dbraw/zinc/50/19/87/497501987.db2.gz BJIHSNOKXWVUEA-SFHVURJKSA-N 2 2 373.570 3.338 10 0 FGAELP CCN(CC)c1ncc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)s1 ZINC000190489098 497501990 /nfs/dbraw/zinc/50/19/90/497501990.db2.gz BJIHSNOKXWVUEA-SFHVURJKSA-N 2 2 373.570 3.338 10 0 FGAELP CCN(CC)c1ncc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)s1 ZINC000190489098 497501996 /nfs/dbraw/zinc/50/19/96/497501996.db2.gz BJIHSNOKXWVUEA-SFHVURJKSA-N 2 2 373.570 3.338 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@H](C)c3cn(-c4ccccc4)nn3)C2)[nH+]1 ZINC000245970072 497587550 /nfs/dbraw/zinc/58/75/50/497587550.db2.gz AGMKTAKSJSYAKM-MSOLQXFVSA-N 2 2 362.481 3.466 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@H+]([C@H](C)c3cn(-c4ccccc4)nn3)C2)[nH+]1 ZINC000245970072 497587556 /nfs/dbraw/zinc/58/75/56/497587556.db2.gz AGMKTAKSJSYAKM-MSOLQXFVSA-N 2 2 362.481 3.466 10 0 FGAELP COc1c(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)c(C)nn1C ZINC000246109740 497625800 /nfs/dbraw/zinc/62/58/00/497625800.db2.gz JSKHRWIMIOVLDP-FPOVZHCZSA-N 2 2 368.525 3.224 10 0 FGAELP COc1c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)c(C)nn1C ZINC000246109740 497625803 /nfs/dbraw/zinc/62/58/03/497625803.db2.gz JSKHRWIMIOVLDP-FPOVZHCZSA-N 2 2 368.525 3.224 10 0 FGAELP COc1c(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c(C)nn1C ZINC000246109740 497625806 /nfs/dbraw/zinc/62/58/06/497625806.db2.gz JSKHRWIMIOVLDP-FPOVZHCZSA-N 2 2 368.525 3.224 10 0 FGAELP COc1c(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c(C)nn1C ZINC000246109740 497625809 /nfs/dbraw/zinc/62/58/09/497625809.db2.gz JSKHRWIMIOVLDP-FPOVZHCZSA-N 2 2 368.525 3.224 10 0 FGAELP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000246152132 497639344 /nfs/dbraw/zinc/63/93/44/497639344.db2.gz PQYBAJWQZUCPTJ-MSOLQXFVSA-N 2 2 352.482 3.459 10 0 FGAELP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000246152132 497639351 /nfs/dbraw/zinc/63/93/51/497639351.db2.gz PQYBAJWQZUCPTJ-MSOLQXFVSA-N 2 2 352.482 3.459 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccc(Cl)cn3)C2)[nH+]1 ZINC000246160093 497641832 /nfs/dbraw/zinc/64/18/32/497641832.db2.gz QUTFCGZMPAAZGX-HUUCEWRRSA-N 2 2 373.888 3.199 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccc(Cl)cn3)C2)[nH+]1 ZINC000246160093 497641837 /nfs/dbraw/zinc/64/18/37/497641837.db2.gz QUTFCGZMPAAZGX-HUUCEWRRSA-N 2 2 373.888 3.199 10 0 FGAELP C[C@@H](c1nc(-c2cccnc2)no1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246759900 497808612 /nfs/dbraw/zinc/80/86/12/497808612.db2.gz NRMOZFXBMUCEIP-GJZGRUSLSA-N 2 2 350.426 3.022 10 0 FGAELP C[C@@H](c1nc(-c2cccnc2)no1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246759900 497808614 /nfs/dbraw/zinc/80/86/14/497808614.db2.gz NRMOZFXBMUCEIP-GJZGRUSLSA-N 2 2 350.426 3.022 10 0 FGAELP Cc1nc(NC2CC[NH+](CC3(O)CCCCC3)CC2)c2c([nH+]1)CCCC2 ZINC000302062529 498391040 /nfs/dbraw/zinc/39/10/40/498391040.db2.gz BZSMTHDSCIHTMT-UHFFFAOYSA-N 2 2 358.530 3.235 10 0 FGAELP Cc1ccccc1C[NH+]1CCN(C(=O)c2ccccc2-c2[nH+]ccn2C)CC1 ZINC000019939329 525142596 /nfs/dbraw/zinc/14/25/96/525142596.db2.gz QYMCPONYIJHSFQ-UHFFFAOYSA-N 2 2 374.488 3.354 10 0 FGAELP CC(C)C[C@H](C[NH+](C)C)[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000194016610 713507851 /nfs/dbraw/zinc/50/78/51/713507851.db2.gz NVNKTZIMJCBVLI-KCBNDJSGSA-N 2 2 353.551 3.483 10 0 FGAELP Clc1cc(Br)ccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000262029119 713717520 /nfs/dbraw/zinc/71/75/20/713717520.db2.gz XJIFJFLGLWCFCP-NUEKZKHPSA-N 2 2 373.722 3.349 10 0 FGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)c2ccc(I)cc2)C1 ZINC000040502821 494143468 /nfs/dbraw/zinc/14/34/68/494143468.db2.gz IMCQCUDQGWXTBO-WFASDCNBSA-N 2 2 358.267 3.426 10 0 FGAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)c2ccc(I)cc2)C1 ZINC000040502821 494143472 /nfs/dbraw/zinc/14/34/72/494143472.db2.gz IMCQCUDQGWXTBO-WFASDCNBSA-N 2 2 358.267 3.426 10 0 FGAELP C[C@@H](NC(=O)N[C@@H](C)C[NH+]1CCCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000073665298 494409692 /nfs/dbraw/zinc/40/96/92/494409692.db2.gz CHPIJRLSVSJUBU-DLBZAZTESA-N 2 2 355.486 3.107 10 0 FGAELP C[N@H+](Cc1cc(Cl)ccc1F)C1CC[NH+](CCn2cccn2)CC1 ZINC000121225679 494655201 /nfs/dbraw/zinc/65/52/01/494655201.db2.gz APPQUTLADMHSOW-UHFFFAOYSA-N 2 2 350.869 3.272 10 0 FGAELP C[N@@H+](Cc1cc(Cl)ccc1F)C1CC[NH+](CCn2cccn2)CC1 ZINC000121225679 494655205 /nfs/dbraw/zinc/65/52/05/494655205.db2.gz APPQUTLADMHSOW-UHFFFAOYSA-N 2 2 350.869 3.272 10 0 FGAELP C[N@H+](Cc1ccc(Cl)c(F)c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000121237507 494661520 /nfs/dbraw/zinc/66/15/20/494661520.db2.gz VEWZCERFXJULFL-UHFFFAOYSA-N 2 2 350.869 3.272 10 0 FGAELP C[N@@H+](Cc1ccc(Cl)c(F)c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000121237507 494661526 /nfs/dbraw/zinc/66/15/26/494661526.db2.gz VEWZCERFXJULFL-UHFFFAOYSA-N 2 2 350.869 3.272 10 0 FGAELP COc1ccc([C@@H]([NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)C2CC2)cc1 ZINC000098144154 495061218 /nfs/dbraw/zinc/06/12/18/495061218.db2.gz OSCIZOHCYSZTTB-GMAHTHKFSA-N 2 2 366.505 3.155 10 0 FGAELP COc1ccc([C@@H]([NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)C2CC2)cc1 ZINC000098144154 495061220 /nfs/dbraw/zinc/06/12/20/495061220.db2.gz OSCIZOHCYSZTTB-GMAHTHKFSA-N 2 2 366.505 3.155 10 0 FGAELP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000130381240 495383011 /nfs/dbraw/zinc/38/30/11/495383011.db2.gz XOUBXCZWGKLKHJ-FXAWDEMLSA-N 2 2 371.550 3.126 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)N(Cc2ccccc2)C2CC2)C1 ZINC000106212454 495432454 /nfs/dbraw/zinc/43/24/54/495432454.db2.gz MDOXDJBCZLCQSV-FQEVSTJZSA-N 2 2 366.509 3.274 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)N(Cc2ccccc2)C2CC2)C1 ZINC000106212454 495432456 /nfs/dbraw/zinc/43/24/56/495432456.db2.gz MDOXDJBCZLCQSV-FQEVSTJZSA-N 2 2 366.509 3.274 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(F)cc2F)C1 ZINC000106215161 495435528 /nfs/dbraw/zinc/43/55/28/495435528.db2.gz IDGZDIJWENVNCM-DZGCQCFKSA-N 2 2 362.424 3.388 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(F)cc2F)C1 ZINC000106215161 495435532 /nfs/dbraw/zinc/43/55/32/495435532.db2.gz IDGZDIJWENVNCM-DZGCQCFKSA-N 2 2 362.424 3.388 10 0 FGAELP Cc1ccc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)cc1Oc1cc[nH+]cc1 ZINC000115385917 495498149 /nfs/dbraw/zinc/49/81/49/495498149.db2.gz ZXNMAKZODNAPLI-WMZOPIPTSA-N 2 2 351.450 3.491 10 0 FGAELP Cc1ccc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1Oc1cc[nH+]cc1 ZINC000115385917 495498152 /nfs/dbraw/zinc/49/81/52/495498152.db2.gz ZXNMAKZODNAPLI-WMZOPIPTSA-N 2 2 351.450 3.491 10 0 FGAELP C[C@H](NC(=O)NCC1(C[NH+](C)C)CCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000185743507 495707742 /nfs/dbraw/zinc/70/77/42/495707742.db2.gz IPQMBWMJFXPQED-KRWDZBQOSA-N 2 2 369.513 3.355 10 0 FGAELP c1ccc(NC[C@@H]2CC[N@@H+](CCCOc3ccc4c(c3)OCO4)C2)[nH+]c1 ZINC000171640484 495961093 /nfs/dbraw/zinc/96/10/93/495961093.db2.gz INDINFDRBNYZAC-INIZCTEOSA-N 2 2 355.438 3.013 10 0 FGAELP c1ccc(NC[C@@H]2CC[N@H+](CCCOc3ccc4c(c3)OCO4)C2)[nH+]c1 ZINC000171640484 495961098 /nfs/dbraw/zinc/96/10/98/495961098.db2.gz INDINFDRBNYZAC-INIZCTEOSA-N 2 2 355.438 3.013 10 0 FGAELP CCN(Cc1cccc(F)c1)C(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171645292 495963558 /nfs/dbraw/zinc/96/35/58/495963558.db2.gz GXANEZJULIMTCJ-GOSISDBHSA-N 2 2 370.472 3.003 10 0 FGAELP CCN(Cc1cccc(F)c1)C(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171645292 495963561 /nfs/dbraw/zinc/96/35/61/495963561.db2.gz GXANEZJULIMTCJ-GOSISDBHSA-N 2 2 370.472 3.003 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)N3CCCc4ccccc43)C2)[nH+]1 ZINC000171653092 495971716 /nfs/dbraw/zinc/97/17/16/495971716.db2.gz BPNAOQNCNIGBGW-SFHVURJKSA-N 2 2 364.493 3.103 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)N3CCCc4ccccc43)C2)[nH+]1 ZINC000171653092 495971721 /nfs/dbraw/zinc/97/17/21/495971721.db2.gz BPNAOQNCNIGBGW-SFHVURJKSA-N 2 2 364.493 3.103 10 0 FGAELP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)C12CCOCC2 ZINC000186428259 495994801 /nfs/dbraw/zinc/99/48/01/495994801.db2.gz ZNCLTHSRNOZLAR-DZFGPLHGSA-N 2 2 373.541 3.171 10 0 FGAELP CC[NH+](CC)Cc1cccc(CNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000177390430 496043276 /nfs/dbraw/zinc/04/32/76/496043276.db2.gz NCTWINHAFJAMLA-HXUWFJFHSA-N 2 2 369.513 3.099 10 0 FGAELP CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCCN2c2cc(NC)[nH+]cn2)cc1 ZINC000180570393 496048380 /nfs/dbraw/zinc/04/83/80/496048380.db2.gz JOFGNBVEAMNVOS-DOTOQJQBSA-N 2 2 355.486 3.237 10 0 FGAELP O[C@@H](C[NH2+]CC1CCC(C(F)(F)F)CC1)C[N@@H+]1CCc2ccccc2C1 ZINC000186587574 496058170 /nfs/dbraw/zinc/05/81/70/496058170.db2.gz AJQAKFQXWWRRCG-PPSBMQLTSA-N 2 2 370.459 3.364 10 0 FGAELP O[C@@H](C[NH2+]CC1CCC(C(F)(F)F)CC1)C[N@H+]1CCc2ccccc2C1 ZINC000186587574 496058178 /nfs/dbraw/zinc/05/81/78/496058178.db2.gz AJQAKFQXWWRRCG-PPSBMQLTSA-N 2 2 370.459 3.364 10 0 FGAELP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000181064792 496258302 /nfs/dbraw/zinc/25/83/02/496258302.db2.gz SYBVIRBQIQPIIZ-FUHWJXTLSA-N 2 2 355.486 3.167 10 0 FGAELP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000181064792 496258309 /nfs/dbraw/zinc/25/83/09/496258309.db2.gz SYBVIRBQIQPIIZ-FUHWJXTLSA-N 2 2 355.486 3.167 10 0 FGAELP CCOc1ccc(-c2noc(C[N@@H+]3CCC[C@@H]3Cn3cc[nH+]c3C)n2)cc1 ZINC000178285313 496399042 /nfs/dbraw/zinc/39/90/42/496399042.db2.gz HTUSDGMKDHPCSL-QGZVFWFLSA-N 2 2 367.453 3.305 10 0 FGAELP CCOc1ccc(-c2noc(C[N@H+]3CCC[C@@H]3Cn3cc[nH+]c3C)n2)cc1 ZINC000178285313 496399046 /nfs/dbraw/zinc/39/90/46/496399046.db2.gz HTUSDGMKDHPCSL-QGZVFWFLSA-N 2 2 367.453 3.305 10 0 FGAELP C[C@H](CCNC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1)[NH+]1CCCCC1 ZINC000181869056 496579232 /nfs/dbraw/zinc/57/92/32/496579232.db2.gz QENHXBPUTXSMQR-QZTJIDSGSA-N 2 2 369.513 3.497 10 0 FGAELP CCOC(=O)[C@@H](CC(C)C)[N@@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195257340 496865186 /nfs/dbraw/zinc/86/51/86/496865186.db2.gz AAXORZMEWMTAEJ-IAGOWNOFSA-N 2 2 367.559 3.183 10 0 FGAELP CCOC(=O)[C@@H](CC(C)C)[N@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195257340 496865189 /nfs/dbraw/zinc/86/51/89/496865189.db2.gz AAXORZMEWMTAEJ-IAGOWNOFSA-N 2 2 367.559 3.183 10 0 FGAELP CCOC(=O)[C@@H](CC(C)C)[NH+]1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195257340 496865190 /nfs/dbraw/zinc/86/51/90/496865190.db2.gz AAXORZMEWMTAEJ-IAGOWNOFSA-N 2 2 367.559 3.183 10 0 FGAELP CCOC(=O)[C@@H](CC(C)C)[NH+]1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000195257340 496865194 /nfs/dbraw/zinc/86/51/94/496865194.db2.gz AAXORZMEWMTAEJ-IAGOWNOFSA-N 2 2 367.559 3.183 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C(=O)NC2CC2)c2ccc(F)cc2)C1 ZINC000247598401 496893762 /nfs/dbraw/zinc/89/37/62/496893762.db2.gz KQGGBFJDOYJVCR-UYAOXDASSA-N 2 2 370.472 3.241 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C(=O)NC2CC2)c2ccc(F)cc2)C1 ZINC000247598401 496893769 /nfs/dbraw/zinc/89/37/69/496893769.db2.gz KQGGBFJDOYJVCR-UYAOXDASSA-N 2 2 370.472 3.241 10 0 FGAELP Fc1ccccc1-n1ccc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)n1 ZINC000189028736 496983214 /nfs/dbraw/zinc/98/32/14/496983214.db2.gz MULYMUSKZGYXMJ-INIZCTEOSA-N 2 2 351.429 3.340 10 0 FGAELP Fc1ccccc1-n1ccc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)n1 ZINC000189028736 496983221 /nfs/dbraw/zinc/98/32/21/496983221.db2.gz MULYMUSKZGYXMJ-INIZCTEOSA-N 2 2 351.429 3.340 10 0 FGAELP C[C@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248651370 497072891 /nfs/dbraw/zinc/07/28/91/497072891.db2.gz MXCUYZXKMDJBFH-QUCCMNQESA-N 2 2 372.557 3.015 10 0 FGAELP C[C@H](C(=O)N(C)C1CCCCC1)[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248651370 497072894 /nfs/dbraw/zinc/07/28/94/497072894.db2.gz MXCUYZXKMDJBFH-QUCCMNQESA-N 2 2 372.557 3.015 10 0 FGAELP C[C@H](C(=O)N(C)C1CCCCC1)[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248651370 497072899 /nfs/dbraw/zinc/07/28/99/497072899.db2.gz MXCUYZXKMDJBFH-QUCCMNQESA-N 2 2 372.557 3.015 10 0 FGAELP C[C@H](C(=O)N(C)C1CCCCC1)[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248651370 497072904 /nfs/dbraw/zinc/07/29/04/497072904.db2.gz MXCUYZXKMDJBFH-QUCCMNQESA-N 2 2 372.557 3.015 10 0 FGAELP CCO[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C12CCOCC2 ZINC000248982759 497144424 /nfs/dbraw/zinc/14/44/24/497144424.db2.gz JGHNKNPTQSMWPB-BVOGOJNSSA-N 2 2 358.526 3.213 10 0 FGAELP CCO[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C12CCOCC2 ZINC000248982759 497144427 /nfs/dbraw/zinc/14/44/27/497144427.db2.gz JGHNKNPTQSMWPB-BVOGOJNSSA-N 2 2 358.526 3.213 10 0 FGAELP CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)C12CCOCC2 ZINC000249008109 497149910 /nfs/dbraw/zinc/14/99/10/497149910.db2.gz OFTBIFLAOQRAQG-NSISKUIASA-N 2 2 355.482 3.497 10 0 FGAELP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)C12CCOCC2 ZINC000249019105 497150691 /nfs/dbraw/zinc/15/06/91/497150691.db2.gz QGBKLMDIUNZRBI-NJDAHSKKSA-N 2 2 358.526 3.215 10 0 FGAELP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)C12CCOCC2 ZINC000249019105 497150692 /nfs/dbraw/zinc/15/06/92/497150692.db2.gz QGBKLMDIUNZRBI-NJDAHSKKSA-N 2 2 358.526 3.215 10 0 FGAELP Cc1cccc(C)c1-n1nnnc1C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189913590 497291165 /nfs/dbraw/zinc/29/11/65/497291165.db2.gz ZLKSWXABKRHXTQ-QGZVFWFLSA-N 2 2 373.464 3.316 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2c(C)nn(C)c2Cl)C1 ZINC000190464236 497489649 /nfs/dbraw/zinc/48/96/49/497489649.db2.gz GMPFYBRNZWJBBX-CQSZACIVSA-N 2 2 367.950 3.101 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](Cc2c(C)nn(C)c2Cl)C1 ZINC000190464236 497489654 /nfs/dbraw/zinc/48/96/54/497489654.db2.gz GMPFYBRNZWJBBX-CQSZACIVSA-N 2 2 367.950 3.101 10 0 FGAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2c(C)nn(C)c2Cl)C1 ZINC000190464236 497489661 /nfs/dbraw/zinc/48/96/61/497489661.db2.gz GMPFYBRNZWJBBX-CQSZACIVSA-N 2 2 367.950 3.101 10 0 FGAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](Cc2c(C)nn(C)c2Cl)C1 ZINC000190464236 497489666 /nfs/dbraw/zinc/48/96/66/497489666.db2.gz GMPFYBRNZWJBBX-CQSZACIVSA-N 2 2 367.950 3.101 10 0 FGAELP C[C@H]([NH2+]C1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CCCC1)c1ccccc1 ZINC000262036113 497496638 /nfs/dbraw/zinc/49/66/38/497496638.db2.gz XZKMECNCCXQLPO-PDGJWGCVSA-N 3 2 371.569 3.397 10 0 FGAELP COc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)c(OC)c1 ZINC000190486988 497500370 /nfs/dbraw/zinc/50/03/70/497500370.db2.gz NLOVEDGLJPWSJK-GOSISDBHSA-N 2 2 355.482 3.053 10 0 FGAELP COc1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)c(OC)c1 ZINC000190486988 497500374 /nfs/dbraw/zinc/50/03/74/497500374.db2.gz NLOVEDGLJPWSJK-GOSISDBHSA-N 2 2 355.482 3.053 10 0 FGAELP COc1ccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)c(OC)c1 ZINC000190486988 497500379 /nfs/dbraw/zinc/50/03/79/497500379.db2.gz NLOVEDGLJPWSJK-GOSISDBHSA-N 2 2 355.482 3.053 10 0 FGAELP COc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)c(OC)c1 ZINC000190486988 497500385 /nfs/dbraw/zinc/50/03/85/497500385.db2.gz NLOVEDGLJPWSJK-GOSISDBHSA-N 2 2 355.482 3.053 10 0 FGAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](c2ccccc2)c2ccccn2)nc[nH+]1 ZINC000245953025 497581895 /nfs/dbraw/zinc/58/18/95/497581895.db2.gz LJJAHUXETQDDAI-XMSQKQJNSA-N 2 2 374.492 3.261 10 0 FGAELP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246192065 497655302 /nfs/dbraw/zinc/65/53/02/497655302.db2.gz WOBKRRYYVXLZLP-IRXDYDNUSA-N 2 2 370.472 3.174 10 0 FGAELP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246192065 497655307 /nfs/dbraw/zinc/65/53/07/497655307.db2.gz WOBKRRYYVXLZLP-IRXDYDNUSA-N 2 2 370.472 3.174 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@@H+]([C@H]3CCN(c4ccccc4F)C3=O)C2)[nH+]1 ZINC000246596030 497784769 /nfs/dbraw/zinc/78/47/69/497784769.db2.gz PNZLWWGMHORXGQ-APWZRJJASA-N 2 2 368.456 3.068 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@H+]([C@H]3CCN(c4ccccc4F)C3=O)C2)[nH+]1 ZINC000246596030 497784772 /nfs/dbraw/zinc/78/47/72/497784772.db2.gz PNZLWWGMHORXGQ-APWZRJJASA-N 2 2 368.456 3.068 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)c2nc(-c3cccnc3)no2)C1 ZINC000246650231 497794627 /nfs/dbraw/zinc/79/46/27/497794627.db2.gz FDPTVJOHBKVYFD-ZBFHGGJFSA-N 2 2 352.442 3.289 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)c2nc(-c3cccnc3)no2)C1 ZINC000246650231 497794631 /nfs/dbraw/zinc/79/46/31/497794631.db2.gz FDPTVJOHBKVYFD-ZBFHGGJFSA-N 2 2 352.442 3.289 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@H+]([C@H](C)c3nc(-c4cccnc4)no3)C2)[nH+]1 ZINC000246684313 497800280 /nfs/dbraw/zinc/80/02/80/497800280.db2.gz HFOSOKXGGRFTLY-HZPDHXFCSA-N 2 2 364.453 3.330 10 0 FGAELP OC[C@@H]1CCCN1c1cc(NCC2([NH+]3CCCCC3)CCCCC2)nc[nH+]1 ZINC000301745314 498247944 /nfs/dbraw/zinc/24/79/44/498247944.db2.gz XCEJMUFNFDWKHJ-SFHVURJKSA-N 2 2 373.545 3.038 10 0 FGAELP O[C@H](C[NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)COCc1cccs1 ZINC000379658372 499542902 /nfs/dbraw/zinc/54/29/02/499542902.db2.gz WDKLRTOQCCPGBM-VQTJNVASSA-N 2 2 374.550 3.270 10 0 FGAELP O[C@H](C[NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1)COCc1cccs1 ZINC000379658372 499542903 /nfs/dbraw/zinc/54/29/03/499542903.db2.gz WDKLRTOQCCPGBM-VQTJNVASSA-N 2 2 374.550 3.270 10 0 FGAELP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2cnc(C(C)(C)C)s2)nc[nH+]1 ZINC000109070497 700529908 /nfs/dbraw/zinc/52/99/08/700529908.db2.gz YBPPWMNYVOOVIV-CYBMUJFWSA-N 2 2 360.531 3.031 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cn1ncc2c1cccc2Br ZINC000176077612 705570303 /nfs/dbraw/zinc/57/03/03/705570303.db2.gz KHURVYLVKNHJDZ-AWEZNQCLSA-N 2 2 374.286 3.426 10 0 FGAELP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccoc2)cc1 ZINC000011664693 207316215 /nfs/dbraw/zinc/31/62/15/207316215.db2.gz TWQIKKMGZPTLOC-LJQANCHMSA-N 2 2 350.422 3.377 10 0 FGAELP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccoc2)cc1 ZINC000011664693 207316219 /nfs/dbraw/zinc/31/62/19/207316219.db2.gz TWQIKKMGZPTLOC-LJQANCHMSA-N 2 2 350.422 3.377 10 0 FGAELP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc(I)o2)CC1 ZINC000037786431 208185679 /nfs/dbraw/zinc/18/56/79/208185679.db2.gz OTFZTRRJBOMOCO-UHFFFAOYSA-N 2 2 362.255 3.237 10 0 FGAELP CC(C)[N@H+]1Cc2cc(C(=O)NCC[NH+]3CCc4ccccc4C3)sc2C1 ZINC000065238773 494182353 /nfs/dbraw/zinc/18/23/53/494182353.db2.gz BAIZVVBNFZCYOS-UHFFFAOYSA-N 2 2 369.534 3.260 10 0 FGAELP CC(C)[N@@H+]1Cc2cc(C(=O)NCC[NH+]3CCc4ccccc4C3)sc2C1 ZINC000065238773 494182356 /nfs/dbraw/zinc/18/23/56/494182356.db2.gz BAIZVVBNFZCYOS-UHFFFAOYSA-N 2 2 369.534 3.260 10 0 FGAELP CC(C)[NH+]1Cc2cc(C(=O)NCC[N@@H+]3CCc4ccccc4C3)sc2C1 ZINC000065238773 494182362 /nfs/dbraw/zinc/18/23/62/494182362.db2.gz BAIZVVBNFZCYOS-UHFFFAOYSA-N 2 2 369.534 3.260 10 0 FGAELP CC(C)[NH+]1Cc2cc(C(=O)NCC[N@H+]3CCc4ccccc4C3)sc2C1 ZINC000065238773 494182365 /nfs/dbraw/zinc/18/23/65/494182365.db2.gz BAIZVVBNFZCYOS-UHFFFAOYSA-N 2 2 369.534 3.260 10 0 FGAELP COCC[N@@H+]1CCC[C@]2(CC[NH+](Cc3c[nH]nc3C3CCCCC3)C2)C1 ZINC000015064026 494336353 /nfs/dbraw/zinc/33/63/53/494336353.db2.gz XEFRMFFGVVUQQK-NRFANRHFSA-N 2 2 360.546 3.392 10 0 FGAELP COCC[N@H+]1CCC[C@]2(CC[NH+](Cc3c[nH]nc3C3CCCCC3)C2)C1 ZINC000015064026 494336358 /nfs/dbraw/zinc/33/63/58/494336358.db2.gz XEFRMFFGVVUQQK-NRFANRHFSA-N 2 2 360.546 3.392 10 0 FGAELP COCC[NH+]1CCC[C@]2(CC[N@H+](Cc3c[nH]nc3C3CCCCC3)C2)C1 ZINC000015064026 494336361 /nfs/dbraw/zinc/33/63/61/494336361.db2.gz XEFRMFFGVVUQQK-NRFANRHFSA-N 2 2 360.546 3.392 10 0 FGAELP COCC[NH+]1CCC[C@]2(CC[N@@H+](Cc3c[nH]nc3C3CCCCC3)C2)C1 ZINC000015064026 494336365 /nfs/dbraw/zinc/33/63/65/494336365.db2.gz XEFRMFFGVVUQQK-NRFANRHFSA-N 2 2 360.546 3.392 10 0 FGAELP COc1c(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)c(C)nn1C ZINC000092043797 494768529 /nfs/dbraw/zinc/76/85/29/494768529.db2.gz JSKHRWIMIOVLDP-TZIWHRDSSA-N 2 2 368.525 3.224 10 0 FGAELP COc1c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)c(C)nn1C ZINC000092043797 494768531 /nfs/dbraw/zinc/76/85/31/494768531.db2.gz JSKHRWIMIOVLDP-TZIWHRDSSA-N 2 2 368.525 3.224 10 0 FGAELP COc1c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c(C)nn1C ZINC000092043797 494768533 /nfs/dbraw/zinc/76/85/33/494768533.db2.gz JSKHRWIMIOVLDP-TZIWHRDSSA-N 2 2 368.525 3.224 10 0 FGAELP COc1c(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c(C)nn1C ZINC000092043797 494768536 /nfs/dbraw/zinc/76/85/36/494768536.db2.gz JSKHRWIMIOVLDP-TZIWHRDSSA-N 2 2 368.525 3.224 10 0 FGAELP Cc1[nH+]ccn1-c1ccc(CNc2cc(N3CCC[C@H](C)C3)nc[nH+]2)cn1 ZINC000110253039 494961690 /nfs/dbraw/zinc/96/16/90/494961690.db2.gz COMDPLSVADMRKH-HNNXBMFYSA-N 2 2 363.469 3.214 10 0 FGAELP COc1ccc(-c2nc(C[N@@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)no2)cc1 ZINC000111212852 495049307 /nfs/dbraw/zinc/04/93/07/495049307.db2.gz RPHCWHNYAXRHAH-HNNXBMFYSA-N 2 2 365.437 3.074 10 0 FGAELP COc1ccc(-c2nc(C[N@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)no2)cc1 ZINC000111212852 495049309 /nfs/dbraw/zinc/04/93/09/495049309.db2.gz RPHCWHNYAXRHAH-HNNXBMFYSA-N 2 2 365.437 3.074 10 0 FGAELP COc1ccc(C)cc1[C@H](C)[NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000098143871 495061667 /nfs/dbraw/zinc/06/16/67/495061667.db2.gz HSMNJFKPNDTWFK-PXNSSMCTSA-N 2 2 354.494 3.073 10 0 FGAELP COc1ccc(C)cc1[C@H](C)[NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000098143871 495061673 /nfs/dbraw/zinc/06/16/73/495061673.db2.gz HSMNJFKPNDTWFK-PXNSSMCTSA-N 2 2 354.494 3.073 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)c2nc(-c3cccnc3)no2)C1 ZINC000112981396 495262286 /nfs/dbraw/zinc/26/22/86/495262286.db2.gz FDPTVJOHBKVYFD-GOEBONIOSA-N 2 2 352.442 3.289 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)c2nc(-c3cccnc3)no2)C1 ZINC000112981396 495262291 /nfs/dbraw/zinc/26/22/91/495262291.db2.gz FDPTVJOHBKVYFD-GOEBONIOSA-N 2 2 352.442 3.289 10 0 FGAELP C[C@H](NC(=O)N(CC[NH+](C)C)C1CCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000151402020 495828539 /nfs/dbraw/zinc/82/85/39/495828539.db2.gz BNXYDVFPAMHEQR-KRWDZBQOSA-N 2 2 369.513 3.449 10 0 FGAELP C[C@@H]([NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccc(-n2cnnn2)cc1 ZINC000151714136 495926523 /nfs/dbraw/zinc/92/65/23/495926523.db2.gz SQAXYZZUDNUELO-HZPDHXFCSA-N 2 2 359.437 3.260 10 0 FGAELP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171643878 495962145 /nfs/dbraw/zinc/96/21/45/495962145.db2.gz WOBKRRYYVXLZLP-DLBZAZTESA-N 2 2 370.472 3.174 10 0 FGAELP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171643878 495962147 /nfs/dbraw/zinc/96/21/47/495962147.db2.gz WOBKRRYYVXLZLP-DLBZAZTESA-N 2 2 370.472 3.174 10 0 FGAELP CC(C)[C@@H](NC(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)c1ccccc1 ZINC000171644028 495962361 /nfs/dbraw/zinc/96/23/61/495962361.db2.gz FJFPHUUAQMPBCM-XMSQKQJNSA-N 2 2 366.509 3.329 10 0 FGAELP CC(C)[C@@H](NC(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)c1ccccc1 ZINC000171644028 495962368 /nfs/dbraw/zinc/96/23/68/495962368.db2.gz FJFPHUUAQMPBCM-XMSQKQJNSA-N 2 2 366.509 3.329 10 0 FGAELP O=C(C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)N[C@H](c1ccccc1)C1CC1 ZINC000171643276 495962673 /nfs/dbraw/zinc/96/26/73/495962673.db2.gz VIKHZJPAMGLBIO-VGOFRKELSA-N 2 2 364.493 3.083 10 0 FGAELP O=C(C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)N[C@H](c1ccccc1)C1CC1 ZINC000171643276 495962675 /nfs/dbraw/zinc/96/26/75/495962675.db2.gz VIKHZJPAMGLBIO-VGOFRKELSA-N 2 2 364.493 3.083 10 0 FGAELP COc1ccc(-c2noc(C[N@@H+]3CC[C@H](CNc4cccc[nH+]4)C3)n2)cc1 ZINC000171645591 495963512 /nfs/dbraw/zinc/96/35/12/495963512.db2.gz NNEKUEUPISWDTP-OAHLLOKOSA-N 2 2 365.437 3.074 10 0 FGAELP COc1ccc(-c2noc(C[N@H+]3CC[C@H](CNc4cccc[nH+]4)C3)n2)cc1 ZINC000171645591 495963516 /nfs/dbraw/zinc/96/35/16/495963516.db2.gz NNEKUEUPISWDTP-OAHLLOKOSA-N 2 2 365.437 3.074 10 0 FGAELP Fc1ccc(-c2noc(C[N@@H+]3CC[C@H](CNc4cccc[nH+]4)C3)n2)cc1 ZINC000171645699 495964344 /nfs/dbraw/zinc/96/43/44/495964344.db2.gz JCAKVLFWDKEFAI-CQSZACIVSA-N 2 2 353.401 3.205 10 0 FGAELP Fc1ccc(-c2noc(C[N@H+]3CC[C@H](CNc4cccc[nH+]4)C3)n2)cc1 ZINC000171645699 495964353 /nfs/dbraw/zinc/96/43/53/495964353.db2.gz JCAKVLFWDKEFAI-CQSZACIVSA-N 2 2 353.401 3.205 10 0 FGAELP COC(=O)c1cc(F)ccc1C[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000171648394 495967952 /nfs/dbraw/zinc/96/79/52/495967952.db2.gz WEFJLEGVBOGYSJ-OAHLLOKOSA-N 2 2 357.429 3.250 10 0 FGAELP COC(=O)c1cc(F)ccc1C[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000171648394 495967958 /nfs/dbraw/zinc/96/79/58/495967958.db2.gz WEFJLEGVBOGYSJ-OAHLLOKOSA-N 2 2 357.429 3.250 10 0 FGAELP Cc1ccc(C)c(NC(=O)C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)c1 ZINC000171653152 495972028 /nfs/dbraw/zinc/97/20/28/495972028.db2.gz QEIYJYMJNNOMRN-SFHVURJKSA-N 2 2 352.482 3.379 10 0 FGAELP Cc1ccc(C)c(NC(=O)C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)c1 ZINC000171653152 495972030 /nfs/dbraw/zinc/97/20/30/495972030.db2.gz QEIYJYMJNNOMRN-SFHVURJKSA-N 2 2 352.482 3.379 10 0 FGAELP CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCCN2c2cc(NC)[nH+]cn2)cc1 ZINC000180570374 496048934 /nfs/dbraw/zinc/04/89/34/496048934.db2.gz JOFGNBVEAMNVOS-NVXWUHKLSA-N 2 2 355.486 3.237 10 0 FGAELP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)[C@H]1CC[N@@H+](C3CCCCC3)C1)C2 ZINC000178232816 496379538 /nfs/dbraw/zinc/37/95/38/496379538.db2.gz XZVCJTYZGZGVCV-INIZCTEOSA-N 2 2 358.530 3.083 10 0 FGAELP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)[C@H]1CC[N@H+](C3CCCCC3)C1)C2 ZINC000178232816 496379544 /nfs/dbraw/zinc/37/95/44/496379544.db2.gz XZVCJTYZGZGVCV-INIZCTEOSA-N 2 2 358.530 3.083 10 0 FGAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccnc(Cl)c2)C1 ZINC000195249832 496861015 /nfs/dbraw/zinc/86/10/15/496861015.db2.gz RLOIDVPMOMSJPR-OAHLLOKOSA-N 2 2 350.919 3.454 10 0 FGAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccnc(Cl)c2)C1 ZINC000195249832 496861019 /nfs/dbraw/zinc/86/10/19/496861019.db2.gz RLOIDVPMOMSJPR-OAHLLOKOSA-N 2 2 350.919 3.454 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccnc(Cl)c2)C1 ZINC000195249832 496861023 /nfs/dbraw/zinc/86/10/23/496861023.db2.gz RLOIDVPMOMSJPR-OAHLLOKOSA-N 2 2 350.919 3.454 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC000195249832 496861027 /nfs/dbraw/zinc/86/10/27/496861027.db2.gz RLOIDVPMOMSJPR-OAHLLOKOSA-N 2 2 350.919 3.454 10 0 FGAELP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248649014 497071909 /nfs/dbraw/zinc/07/19/09/497071909.db2.gz KGKXKEUVSBONAK-HLAWJBBLSA-N 2 2 372.557 3.015 10 0 FGAELP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248649014 497071911 /nfs/dbraw/zinc/07/19/11/497071911.db2.gz KGKXKEUVSBONAK-HLAWJBBLSA-N 2 2 372.557 3.015 10 0 FGAELP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248649014 497071919 /nfs/dbraw/zinc/07/19/19/497071919.db2.gz KGKXKEUVSBONAK-HLAWJBBLSA-N 2 2 372.557 3.015 10 0 FGAELP C[C@H]([NH2+]CC(=O)Nc1cc(F)cc(F)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189889113 497282364 /nfs/dbraw/zinc/28/23/64/497282364.db2.gz RPRXVJUUBNMNLG-ZDUSSCGKSA-N 2 2 356.376 3.440 10 0 FGAELP C[C@H]([NH2+]CCC(=O)N1CCc2ccccc2C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189912105 497291481 /nfs/dbraw/zinc/29/14/81/497291481.db2.gz SOQDQASLPNQGHH-SFHVURJKSA-N 2 2 374.488 3.498 10 0 FGAELP CC[C@@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccccc1OC ZINC000193555212 497412181 /nfs/dbraw/zinc/41/21/81/497412181.db2.gz SPEVTGQSQBEZQE-PZJWPPBQSA-N 2 2 354.494 3.155 10 0 FGAELP CC[C@@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccccc1OC ZINC000193555212 497412184 /nfs/dbraw/zinc/41/21/84/497412184.db2.gz SPEVTGQSQBEZQE-PZJWPPBQSA-N 2 2 354.494 3.155 10 0 FGAELP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(Br)c(Br)c3)C[C@@H]12 ZINC000261564377 497415582 /nfs/dbraw/zinc/41/55/82/497415582.db2.gz HHVWEQZMPNBRKH-MISXGVKJSA-N 2 2 374.120 3.381 10 0 FGAELP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(Br)c(Br)c3)C[C@@H]12 ZINC000261564377 497415587 /nfs/dbraw/zinc/41/55/87/497415587.db2.gz HHVWEQZMPNBRKH-MISXGVKJSA-N 2 2 374.120 3.381 10 0 FGAELP C[C@@H]1CCC[C@@H]([N@H+](Cc2noc(C[NH3+])n2)Cc2ccc3c(c2)OCO3)[C@@H]1C ZINC000261645341 497426319 /nfs/dbraw/zinc/42/63/19/497426319.db2.gz FXPDJTGZVQMGRB-IIAWOOMASA-N 2 2 372.469 3.084 10 0 FGAELP C[C@@H]1CCC[C@@H]([N@@H+](Cc2noc(C[NH3+])n2)Cc2ccc3c(c2)OCO3)[C@@H]1C ZINC000261645341 497426324 /nfs/dbraw/zinc/42/63/24/497426324.db2.gz FXPDJTGZVQMGRB-IIAWOOMASA-N 2 2 372.469 3.084 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2nc([C@H](C)OCC(C)C)no2)C1 ZINC000245492463 497427595 /nfs/dbraw/zinc/42/75/95/497427595.db2.gz JNGSUZMVYVHEFO-JKSUJKDBSA-N 2 2 361.490 3.399 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2nc([C@H](C)OCC(C)C)no2)C1 ZINC000245492463 497427600 /nfs/dbraw/zinc/42/76/00/497427600.db2.gz JNGSUZMVYVHEFO-JKSUJKDBSA-N 2 2 361.490 3.399 10 0 FGAELP Clc1ccc2sc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)nc2c1 ZINC000261936084 497478489 /nfs/dbraw/zinc/47/84/89/497478489.db2.gz MFWUDPSONFRWMT-UMVBOHGHSA-N 2 2 351.903 3.196 10 0 FGAELP COCCOc1ccccc1C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000190471334 497494493 /nfs/dbraw/zinc/49/44/93/497494493.db2.gz RUEKBSBNQPBIGH-HXUWFJFHSA-N 2 2 369.509 3.061 10 0 FGAELP COCCOc1ccccc1C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000190471334 497494495 /nfs/dbraw/zinc/49/44/95/497494495.db2.gz RUEKBSBNQPBIGH-HXUWFJFHSA-N 2 2 369.509 3.061 10 0 FGAELP COCCOc1ccccc1C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190471334 497494497 /nfs/dbraw/zinc/49/44/97/497494497.db2.gz RUEKBSBNQPBIGH-HXUWFJFHSA-N 2 2 369.509 3.061 10 0 FGAELP COCCOc1ccccc1C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190471334 497494498 /nfs/dbraw/zinc/49/44/98/497494498.db2.gz RUEKBSBNQPBIGH-HXUWFJFHSA-N 2 2 369.509 3.061 10 0 FGAELP COc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)c(OC)c1 ZINC000190486971 497500625 /nfs/dbraw/zinc/50/06/25/497500625.db2.gz NLOVEDGLJPWSJK-SFHVURJKSA-N 2 2 355.482 3.053 10 0 FGAELP COc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)c(OC)c1 ZINC000190486971 497500631 /nfs/dbraw/zinc/50/06/31/497500631.db2.gz NLOVEDGLJPWSJK-SFHVURJKSA-N 2 2 355.482 3.053 10 0 FGAELP COc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)c(OC)c1 ZINC000190486971 497500637 /nfs/dbraw/zinc/50/06/37/497500637.db2.gz NLOVEDGLJPWSJK-SFHVURJKSA-N 2 2 355.482 3.053 10 0 FGAELP COc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)c(OC)c1 ZINC000190486971 497500640 /nfs/dbraw/zinc/50/06/40/497500640.db2.gz NLOVEDGLJPWSJK-SFHVURJKSA-N 2 2 355.482 3.053 10 0 FGAELP CCN(CC)c1ncc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)s1 ZINC000190489078 497501483 /nfs/dbraw/zinc/50/14/83/497501483.db2.gz BJIHSNOKXWVUEA-GOSISDBHSA-N 2 2 373.570 3.338 10 0 FGAELP CCN(CC)c1ncc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)s1 ZINC000190489078 497501488 /nfs/dbraw/zinc/50/14/88/497501488.db2.gz BJIHSNOKXWVUEA-GOSISDBHSA-N 2 2 373.570 3.338 10 0 FGAELP CCN(CC)c1ncc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)s1 ZINC000190489078 497501502 /nfs/dbraw/zinc/50/15/02/497501502.db2.gz BJIHSNOKXWVUEA-GOSISDBHSA-N 2 2 373.570 3.338 10 0 FGAELP Cc1nc2n(n1)CCC[C@H]2[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245770194 497533854 /nfs/dbraw/zinc/53/38/54/497533854.db2.gz XDIYNXXRFYOFFO-IYWMVGAKSA-N 2 2 351.498 3.207 10 0 FGAELP Cc1nc2n(n1)CCC[C@H]2[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245770194 497533857 /nfs/dbraw/zinc/53/38/57/497533857.db2.gz XDIYNXXRFYOFFO-IYWMVGAKSA-N 2 2 351.498 3.207 10 0 FGAELP C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246107938 497624050 /nfs/dbraw/zinc/62/40/50/497624050.db2.gz IVXCWQYWXYKZFT-KSZLIROESA-N 2 2 352.482 3.081 10 0 FGAELP C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246107938 497624053 /nfs/dbraw/zinc/62/40/53/497624053.db2.gz IVXCWQYWXYKZFT-KSZLIROESA-N 2 2 352.482 3.081 10 0 FGAELP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)c1ccccc1 ZINC000246107928 497624455 /nfs/dbraw/zinc/62/44/55/497624455.db2.gz IVXCWQYWXYKZFT-BZSNNMDCSA-N 2 2 352.482 3.081 10 0 FGAELP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)c1ccccc1 ZINC000246107928 497624460 /nfs/dbraw/zinc/62/44/60/497624460.db2.gz IVXCWQYWXYKZFT-BZSNNMDCSA-N 2 2 352.482 3.081 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccc(F)cc3F)C2)[nH+]1 ZINC000246113028 497625573 /nfs/dbraw/zinc/62/55/73/497625573.db2.gz JRQMFGASGBHKSP-HUUCEWRRSA-N 2 2 374.435 3.429 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccc(F)cc3F)C2)[nH+]1 ZINC000246113028 497625577 /nfs/dbraw/zinc/62/55/77/497625577.db2.gz JRQMFGASGBHKSP-HUUCEWRRSA-N 2 2 374.435 3.429 10 0 FGAELP CCc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000246174663 497647556 /nfs/dbraw/zinc/64/75/56/497647556.db2.gz TWVOSMJCFVKPIM-WMZOPIPTSA-N 2 2 352.482 3.405 10 0 FGAELP CCc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000246174663 497647557 /nfs/dbraw/zinc/64/75/57/497647557.db2.gz TWVOSMJCFVKPIM-WMZOPIPTSA-N 2 2 352.482 3.405 10 0 FGAELP O=C(C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)N[C@H](c1ccccc1)C1CC1 ZINC000246184413 497651522 /nfs/dbraw/zinc/65/15/22/497651522.db2.gz VIKHZJPAMGLBIO-HTAPYJJXSA-N 2 2 364.493 3.083 10 0 FGAELP O=C(C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)N[C@H](c1ccccc1)C1CC1 ZINC000246184413 497651526 /nfs/dbraw/zinc/65/15/26/497651526.db2.gz VIKHZJPAMGLBIO-HTAPYJJXSA-N 2 2 364.493 3.083 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000246844891 497815801 /nfs/dbraw/zinc/81/58/01/497815801.db2.gz BWQBCYRIMLEJCO-QAPCUYQASA-N 2 2 358.873 3.115 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000246844891 497815803 /nfs/dbraw/zinc/81/58/03/497815803.db2.gz BWQBCYRIMLEJCO-QAPCUYQASA-N 2 2 358.873 3.115 10 0 FGAELP COC(=O)CC[C@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2)CC[C@H]1[NH+](C)C ZINC000299769796 497917274 /nfs/dbraw/zinc/91/72/74/497917274.db2.gz VCUJYISCZBOGPW-DOTOQJQBSA-N 2 2 372.431 3.411 10 0 FGAELP COC(=O)CC[C@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2)CC[C@H]1[NH+](C)C ZINC000299769796 497917281 /nfs/dbraw/zinc/91/72/81/497917281.db2.gz VCUJYISCZBOGPW-DOTOQJQBSA-N 2 2 372.431 3.411 10 0 FGAELP Cc1nc(N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c2c([nH+]1)CCCC2 ZINC000302057823 498389643 /nfs/dbraw/zinc/38/96/43/498389643.db2.gz RIXGYOFESLCNCG-KXBFYZLASA-N 2 2 351.498 3.381 10 0 FGAELP Cc1nc(N[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c2c([nH+]1)CCCC2 ZINC000302057823 498389650 /nfs/dbraw/zinc/38/96/50/498389650.db2.gz RIXGYOFESLCNCG-KXBFYZLASA-N 2 2 351.498 3.381 10 0 FGAELP c1csc(C[N@H+](Cc2ccc3c[nH]nc3c2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000564819755 505529543 /nfs/dbraw/zinc/52/95/43/505529543.db2.gz VKLQNJXTDBPUIW-KRWDZBQOSA-N 2 2 353.495 3.164 10 0 FGAELP c1csc(C[N@@H+](Cc2ccc3c[nH]nc3c2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000564819755 505529548 /nfs/dbraw/zinc/52/95/48/505529548.db2.gz VKLQNJXTDBPUIW-KRWDZBQOSA-N 2 2 353.495 3.164 10 0 FGAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc3c2NCC3)C1 ZINC000261755407 713713862 /nfs/dbraw/zinc/71/38/62/713713862.db2.gz CLPITHCROSRJKR-INIZCTEOSA-N 2 2 356.539 3.373 10 0 FGAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc3c2NCC3)C1 ZINC000261755407 713713865 /nfs/dbraw/zinc/71/38/65/713713865.db2.gz CLPITHCROSRJKR-INIZCTEOSA-N 2 2 356.539 3.373 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc3c2NCC3)C1 ZINC000261755407 713713869 /nfs/dbraw/zinc/71/38/69/713713869.db2.gz CLPITHCROSRJKR-INIZCTEOSA-N 2 2 356.539 3.373 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc3c2NCC3)C1 ZINC000261755407 713713874 /nfs/dbraw/zinc/71/38/74/713713874.db2.gz CLPITHCROSRJKR-INIZCTEOSA-N 2 2 356.539 3.373 10 0 FGAELP C[C@H](C[NH2+]Cc1ccc(I)o1)C[NH+]1CCCCC1 ZINC000038042007 208198245 /nfs/dbraw/zinc/19/82/45/208198245.db2.gz USYGIRAUNPTNKR-GFCCVEGCSA-N 2 2 362.255 3.096 10 0 FGAELP C[C@@H]([NH2+][C@@H](C)C[NH+]1CCCC1)c1ccc(I)cc1 ZINC000042598203 208293793 /nfs/dbraw/zinc/29/37/93/208293793.db2.gz IAXIVKVMXQAVOI-QWHCGFSZSA-N 2 2 358.267 3.426 10 0 FGAELP Cc1nc(N2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)c2c([nH+]1)CCCC2 ZINC000190449208 257368200 /nfs/dbraw/zinc/36/82/00/257368200.db2.gz BPFXIEMUFNOZDX-GOSISDBHSA-N 2 2 351.498 3.017 10 0 FGAELP Cc1nc(N2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)c2c([nH+]1)CCCC2 ZINC000190449208 257368202 /nfs/dbraw/zinc/36/82/02/257368202.db2.gz BPFXIEMUFNOZDX-GOSISDBHSA-N 2 2 351.498 3.017 10 0 FGAELP CCc1[nH+]c2ccccc2n1CC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000052555847 494039704 /nfs/dbraw/zinc/03/97/04/494039704.db2.gz YBRQOXOFZNDWSN-SFHVURJKSA-N 2 2 350.466 3.018 10 0 FGAELP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000073665294 494410202 /nfs/dbraw/zinc/41/02/02/494410202.db2.gz CHPIJRLSVSJUBU-SJORKVTESA-N 2 2 355.486 3.107 10 0 FGAELP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(Br)cc1F ZINC000126141518 494650635 /nfs/dbraw/zinc/65/06/35/494650635.db2.gz LZWDRZFWQNMAPN-OCCSQVGLSA-N 2 2 359.283 3.086 10 0 FGAELP COc1cc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)ccc1SC ZINC000109328980 494861048 /nfs/dbraw/zinc/86/10/48/494861048.db2.gz GYWPNAJKGSKKTN-UHFFFAOYSA-N 2 2 374.554 3.210 10 0 FGAELP COc1cc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)ccc1SC ZINC000109328980 494861051 /nfs/dbraw/zinc/86/10/51/494861051.db2.gz GYWPNAJKGSKKTN-UHFFFAOYSA-N 2 2 374.554 3.210 10 0 FGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000133050590 494961256 /nfs/dbraw/zinc/96/12/56/494961256.db2.gz KBSFARCAGCLNEW-RDJZCZTQSA-N 2 2 351.922 3.151 10 0 FGAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000133050590 494961259 /nfs/dbraw/zinc/96/12/59/494961259.db2.gz KBSFARCAGCLNEW-RDJZCZTQSA-N 2 2 351.922 3.151 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccncc2)C1 ZINC000122938822 495056586 /nfs/dbraw/zinc/05/65/86/495056586.db2.gz BIWDMYXZACMMGA-GOSISDBHSA-N 2 2 350.470 3.078 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccncc2)C1 ZINC000122938822 495056591 /nfs/dbraw/zinc/05/65/91/495056591.db2.gz BIWDMYXZACMMGA-GOSISDBHSA-N 2 2 350.470 3.078 10 0 FGAELP C[C@@H]1CC[N@H+](C[C@H](O)CO[C@@H]2CCCc3ccccc32)C[C@@H]1n1cc[nH+]c1 ZINC000129389955 495238622 /nfs/dbraw/zinc/23/86/22/495238622.db2.gz XRHJQNYRHRWLEC-QTPAZIJBSA-N 2 2 369.509 3.221 10 0 FGAELP C[C@@H]1CC[N@@H+](C[C@H](O)CO[C@@H]2CCCc3ccccc32)C[C@@H]1n1cc[nH+]c1 ZINC000129389955 495238626 /nfs/dbraw/zinc/23/86/26/495238626.db2.gz XRHJQNYRHRWLEC-QTPAZIJBSA-N 2 2 369.509 3.221 10 0 FGAELP C[C@@H](c1nc(-c2cccnc2)no1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000112979255 495263245 /nfs/dbraw/zinc/26/32/45/495263245.db2.gz NRMOZFXBMUCEIP-LSDHHAIUSA-N 2 2 350.426 3.022 10 0 FGAELP C[C@@H](c1nc(-c2cccnc2)no1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000112979255 495263251 /nfs/dbraw/zinc/26/32/51/495263251.db2.gz NRMOZFXBMUCEIP-LSDHHAIUSA-N 2 2 350.426 3.022 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(F)cc2F)C1 ZINC000106215163 495435093 /nfs/dbraw/zinc/43/50/93/495435093.db2.gz IDGZDIJWENVNCM-ZFWWWQNUSA-N 2 2 362.424 3.388 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(F)cc2F)C1 ZINC000106215163 495435097 /nfs/dbraw/zinc/43/50/97/495435097.db2.gz IDGZDIJWENVNCM-ZFWWWQNUSA-N 2 2 362.424 3.388 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2nc(CCc3ccccc3)no2)C1 ZINC000173699101 495653129 /nfs/dbraw/zinc/65/31/29/495653129.db2.gz XZFWTDAJHAXRKN-SFHVURJKSA-N 2 2 365.481 3.451 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2nc(CCc3ccccc3)no2)C1 ZINC000173699101 495653135 /nfs/dbraw/zinc/65/31/35/495653135.db2.gz XZFWTDAJHAXRKN-SFHVURJKSA-N 2 2 365.481 3.451 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3nc([C@@H](C)OCC(C)C)no3)C2)[nH+]1 ZINC000173897412 495737561 /nfs/dbraw/zinc/73/75/61/495737561.db2.gz RTKSSXPVQMLPER-IAGOWNOFSA-N 2 2 373.501 3.441 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@H+](Cc3nc([C@@H](C)OCC(C)C)no3)C2)[nH+]1 ZINC000173897412 495737566 /nfs/dbraw/zinc/73/75/66/495737566.db2.gz RTKSSXPVQMLPER-IAGOWNOFSA-N 2 2 373.501 3.441 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)Nc2ccc(SC)cc2)C1 ZINC000171523088 495912529 /nfs/dbraw/zinc/91/25/29/495912529.db2.gz VASVGMSBUZJMDW-INIZCTEOSA-N 2 2 358.511 3.443 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(SC)cc2)C1 ZINC000171523088 495912535 /nfs/dbraw/zinc/91/25/35/495912535.db2.gz VASVGMSBUZJMDW-INIZCTEOSA-N 2 2 358.511 3.443 10 0 FGAELP CCO[C@@H]1C[C@H]([NH2+]CC(C)(C)[N@@H+]2CCc3ccccc3C2)C12CCOCC2 ZINC000186279612 495926198 /nfs/dbraw/zinc/92/61/98/495926198.db2.gz SFLGZYSCRPDHED-LEWJYISDSA-N 2 2 372.553 3.387 10 0 FGAELP CCO[C@@H]1C[C@H]([NH2+]CC(C)(C)[N@H+]2CCc3ccccc3C2)C12CCOCC2 ZINC000186279612 495926205 /nfs/dbraw/zinc/92/62/05/495926205.db2.gz SFLGZYSCRPDHED-LEWJYISDSA-N 2 2 372.553 3.387 10 0 FGAELP CCN(C(=O)[C@@H](C)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)c1ccccc1 ZINC000171644957 495963668 /nfs/dbraw/zinc/96/36/68/495963668.db2.gz XVEBWPKYEKKMFM-QZTJIDSGSA-N 2 2 352.482 3.257 10 0 FGAELP CCN(C(=O)[C@@H](C)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)c1ccccc1 ZINC000171644957 495963673 /nfs/dbraw/zinc/96/36/73/495963673.db2.gz XVEBWPKYEKKMFM-QZTJIDSGSA-N 2 2 352.482 3.257 10 0 FGAELP C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171644576 495964919 /nfs/dbraw/zinc/96/49/19/495964919.db2.gz VWODYOHUJHVKLW-DOTOQJQBSA-N 2 2 372.900 3.174 10 0 FGAELP C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171644576 495964924 /nfs/dbraw/zinc/96/49/24/495964924.db2.gz VWODYOHUJHVKLW-DOTOQJQBSA-N 2 2 372.900 3.174 10 0 FGAELP COc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000171647888 495966982 /nfs/dbraw/zinc/96/69/82/495966982.db2.gz JITYSXVRHIXFEL-AWEZNQCLSA-N 2 2 374.872 3.116 10 0 FGAELP COc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000171647888 495966984 /nfs/dbraw/zinc/96/69/84/495966984.db2.gz JITYSXVRHIXFEL-AWEZNQCLSA-N 2 2 374.872 3.116 10 0 FGAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2ccc(F)cc2N(C)C)nc[nH+]1 ZINC000180571751 496050169 /nfs/dbraw/zinc/05/01/69/496050169.db2.gz VOWGYJKSGAQIBZ-GDBMZVCRSA-N 2 2 372.492 3.043 10 0 FGAELP COc1ccc(NC(=O)C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000180654051 496089111 /nfs/dbraw/zinc/08/91/11/496089111.db2.gz WWISFIRKKOPBAQ-HNNXBMFYSA-N 2 2 350.422 3.170 10 0 FGAELP C[C@H]([NH2+]C[C@@H](O)COCc1cccs1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180655938 496090272 /nfs/dbraw/zinc/09/02/72/496090272.db2.gz FTYRBVHPQVVYTL-MAUKXSAKSA-N 2 2 357.479 3.162 10 0 FGAELP C[C@@H]([NH2+]CC(=O)NCc1cccc(Cl)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180660626 496092642 /nfs/dbraw/zinc/09/26/42/496092642.db2.gz UUJFCUIDAPGXAG-OAHLLOKOSA-N 2 2 368.868 3.493 10 0 FGAELP CCOC(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000171922983 496093342 /nfs/dbraw/zinc/09/33/42/496093342.db2.gz RNPRESLWCLRFIS-XLIONFOSSA-N 2 2 353.466 3.428 10 0 FGAELP CCOC(=O)[C@H](c1ccccc1)[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000171922983 496093349 /nfs/dbraw/zinc/09/33/49/496093349.db2.gz RNPRESLWCLRFIS-XLIONFOSSA-N 2 2 353.466 3.428 10 0 FGAELP C[C@H]([NH2+]CC(=O)N(C1CC1)C1CCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180665991 496095596 /nfs/dbraw/zinc/09/55/96/496095596.db2.gz STVDNUGSBBVDHC-INIZCTEOSA-N 2 2 352.482 3.457 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000187419953 496434177 /nfs/dbraw/zinc/43/41/77/496434177.db2.gz MSESNWTTXDOKMU-HXUWFJFHSA-N 2 2 353.445 3.240 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000187419953 496434181 /nfs/dbraw/zinc/43/41/81/496434181.db2.gz MSESNWTTXDOKMU-HXUWFJFHSA-N 2 2 353.445 3.240 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1F ZINC000178748952 496558783 /nfs/dbraw/zinc/55/87/83/496558783.db2.gz IUXMNYDZZMBHMT-AWEZNQCLSA-N 2 2 350.825 3.087 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1F ZINC000178748952 496558787 /nfs/dbraw/zinc/55/87/87/496558787.db2.gz IUXMNYDZZMBHMT-AWEZNQCLSA-N 2 2 350.825 3.087 10 0 FGAELP Cc1ccccc1[C@H](C)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000173243052 496608195 /nfs/dbraw/zinc/60/81/95/496608195.db2.gz LDGRREODGZDTSD-IBGZPJMESA-N 2 2 372.557 3.306 10 0 FGAELP C[C@@H](NC(=O)NC[C@@H](c1ccco1)[NH+](C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173354043 496656380 /nfs/dbraw/zinc/65/63/80/496656380.db2.gz CLQDPBMRFMILBG-QAPCUYQASA-N 2 2 367.453 3.128 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(C)cc2C)C1 ZINC000247604062 496894869 /nfs/dbraw/zinc/89/48/69/496894869.db2.gz LKQDGPLBFGFZQP-RBUKOAKNSA-N 2 2 357.498 3.139 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(C)cc2C)C1 ZINC000247604062 496894874 /nfs/dbraw/zinc/89/48/74/496894874.db2.gz LKQDGPLBFGFZQP-RBUKOAKNSA-N 2 2 357.498 3.139 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)N2CCCc3ccccc32)C1 ZINC000247777927 496914890 /nfs/dbraw/zinc/91/48/90/496914890.db2.gz RCTHZGUXYAETKE-MJGOQNOKSA-N 2 2 366.509 3.450 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)N2CCCc3ccccc32)C1 ZINC000247777927 496914894 /nfs/dbraw/zinc/91/48/94/496914894.db2.gz RCTHZGUXYAETKE-MJGOQNOKSA-N 2 2 366.509 3.450 10 0 FGAELP CCn1cnnc1[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000191979671 496952178 /nfs/dbraw/zinc/95/21/78/496952178.db2.gz SYAJBRYBOKKYFJ-GOSISDBHSA-N 2 2 350.470 3.172 10 0 FGAELP CCn1cnnc1[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000191979671 496952183 /nfs/dbraw/zinc/95/21/83/496952183.db2.gz SYAJBRYBOKKYFJ-GOSISDBHSA-N 2 2 350.470 3.172 10 0 FGAELP C[N@H+](CC(=O)Nc1ccc(Br)cc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000231668697 497108785 /nfs/dbraw/zinc/10/87/85/497108785.db2.gz LXGMEFYTMIRLSQ-GFCCVEGCSA-N 2 2 374.710 3.115 10 0 FGAELP C[N@@H+](CC(=O)Nc1ccc(Br)cc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000231668697 497108792 /nfs/dbraw/zinc/10/87/92/497108792.db2.gz LXGMEFYTMIRLSQ-GFCCVEGCSA-N 2 2 374.710 3.115 10 0 FGAELP CCO[C@@H]1C[C@@H]([NH2+]C[C@H](c2ccc(CC)cc2)[NH+](C)C)C12CCOCC2 ZINC000248975278 497143286 /nfs/dbraw/zinc/14/32/86/497143286.db2.gz HMLYDUGMIYKDPO-NJDAHSKKSA-N 2 2 360.542 3.416 10 0 FGAELP C[C@H](NC(=O)N(C)CC1([NH+](C)C)CCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189929735 497297147 /nfs/dbraw/zinc/29/71/47/497297147.db2.gz SBGZGNDZPDDWEE-INIZCTEOSA-N 2 2 355.486 3.059 10 0 FGAELP COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2C[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000261940048 497479870 /nfs/dbraw/zinc/47/98/70/497479870.db2.gz DOSVHKJHDIHEBF-KKSFZXQISA-N 2 2 362.477 3.327 10 0 FGAELP COc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2C[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000261940048 497479872 /nfs/dbraw/zinc/47/98/72/497479872.db2.gz DOSVHKJHDIHEBF-KKSFZXQISA-N 2 2 362.477 3.327 10 0 FGAELP CCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245658255 497491164 /nfs/dbraw/zinc/49/11/64/497491164.db2.gz FCFRWYLIQKWNEG-YSTOQKLRSA-N 2 2 365.525 3.461 10 0 FGAELP CCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245658255 497491172 /nfs/dbraw/zinc/49/11/72/497491172.db2.gz FCFRWYLIQKWNEG-YSTOQKLRSA-N 2 2 365.525 3.461 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)Nc1nc2ccccc2s1 ZINC000245962139 497586133 /nfs/dbraw/zinc/58/61/33/497586133.db2.gz SNXYAQXBHYMIPN-HIFRSBDPSA-N 2 2 369.494 3.293 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)Nc1nc2ccccc2s1 ZINC000245962139 497586141 /nfs/dbraw/zinc/58/61/41/497586141.db2.gz SNXYAQXBHYMIPN-HIFRSBDPSA-N 2 2 369.494 3.293 10 0 FGAELP C[N@H+](Cc1ccccc1CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1)C1CCCCC1 ZINC000262933362 497659903 /nfs/dbraw/zinc/65/99/03/497659903.db2.gz IAHCDTZKZJRHKE-SFHVURJKSA-N 2 2 365.468 3.065 10 0 FGAELP C[N@@H+](Cc1ccccc1CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1)C1CCCCC1 ZINC000262933362 497659907 /nfs/dbraw/zinc/65/99/07/497659907.db2.gz IAHCDTZKZJRHKE-SFHVURJKSA-N 2 2 365.468 3.065 10 0 FGAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)[C@H](C)c2ccc(OC)cc2)nc[nH+]1 ZINC000246575908 497780690 /nfs/dbraw/zinc/78/06/90/497780690.db2.gz YIMONZQVHHNHFG-LZLYRXPVSA-N 2 2 369.513 3.278 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)N(C)[C@H](C)c2ccc(F)cc2)C1 ZINC000246935649 497821090 /nfs/dbraw/zinc/82/10/90/497821090.db2.gz AVOIWNRQGMLXMB-APWZRJJASA-N 2 2 372.488 3.441 10 0 FGAELP COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C3CC3)[C@H]2c2ccnn2C)cc1 ZINC000284704709 497873422 /nfs/dbraw/zinc/87/34/22/497873422.db2.gz YZBQPEBDOIWGTM-LAUBAEHRSA-N 2 2 354.498 3.134 10 0 FGAELP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C3CC3)[C@H]2c2ccnn2C)cc1 ZINC000284704709 497873426 /nfs/dbraw/zinc/87/34/26/497873426.db2.gz YZBQPEBDOIWGTM-LAUBAEHRSA-N 2 2 354.498 3.134 10 0 FGAELP c1csc(C[N@H+](Cc2ccc3c[nH]nc3c2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000564819756 505529504 /nfs/dbraw/zinc/52/95/04/505529504.db2.gz VKLQNJXTDBPUIW-QGZVFWFLSA-N 2 2 353.495 3.164 10 0 FGAELP c1csc(C[N@@H+](Cc2ccc3c[nH]nc3c2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000564819756 505529509 /nfs/dbraw/zinc/52/95/09/505529509.db2.gz VKLQNJXTDBPUIW-QGZVFWFLSA-N 2 2 353.495 3.164 10 0 FGAELP CC1(C)CC(Nc2[nH+]cnc(N3CCc4ccccc43)c2N)CC(C)(C)[NH2+]1 ZINC000040687347 208260843 /nfs/dbraw/zinc/26/08/43/208260843.db2.gz SHGQNALCLKNAGB-UHFFFAOYSA-N 2 2 366.513 3.474 10 0 FGAELP C[N@H+](C[C@@H](O)COCc1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000121624549 494824573 /nfs/dbraw/zinc/82/45/73/494824573.db2.gz DTPTUVHGCVOYJA-HSZRJFAPSA-N 2 2 368.521 3.161 10 0 FGAELP C[N@@H+](C[C@@H](O)COCc1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000121624549 494824575 /nfs/dbraw/zinc/82/45/75/494824575.db2.gz DTPTUVHGCVOYJA-HSZRJFAPSA-N 2 2 368.521 3.161 10 0 FGAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000133050812 494961298 /nfs/dbraw/zinc/96/12/98/494961298.db2.gz KBSFARCAGCLNEW-DOTOQJQBSA-N 2 2 351.922 3.151 10 0 FGAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000133050812 494961300 /nfs/dbraw/zinc/96/13/00/494961300.db2.gz KBSFARCAGCLNEW-DOTOQJQBSA-N 2 2 351.922 3.151 10 0 FGAELP CCOc1ccc([C@H](C)[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000098144105 495061312 /nfs/dbraw/zinc/06/13/12/495061312.db2.gz FOYQHXJNRZRIJY-UWJYYQICSA-N 2 2 354.494 3.155 10 0 FGAELP CCOc1ccc([C@H](C)[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000098144105 495061318 /nfs/dbraw/zinc/06/13/18/495061318.db2.gz FOYQHXJNRZRIJY-UWJYYQICSA-N 2 2 354.494 3.155 10 0 FGAELP CC[N@H+](C)[C@@H](C(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1)c1ccccc1 ZINC000112670481 495220983 /nfs/dbraw/zinc/22/09/83/495220983.db2.gz CCEHMXYYDFCJKG-LJQANCHMSA-N 2 2 354.498 3.121 10 0 FGAELP CC[N@@H+](C)[C@@H](C(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1)c1ccccc1 ZINC000112670481 495220988 /nfs/dbraw/zinc/22/09/88/495220988.db2.gz CCEHMXYYDFCJKG-LJQANCHMSA-N 2 2 354.498 3.121 10 0 FGAELP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000130381472 495382974 /nfs/dbraw/zinc/38/29/74/495382974.db2.gz XOUBXCZWGKLKHJ-YLJYHZDGSA-N 2 2 371.550 3.126 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@@H](C)c3cn(-c4ccccc4)nn3)C2)[nH+]1 ZINC000125239128 495411522 /nfs/dbraw/zinc/41/15/22/495411522.db2.gz AGMKTAKSJSYAKM-ROUUACIJSA-N 2 2 362.481 3.466 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@H+]([C@@H](C)c3cn(-c4ccccc4)nn3)C2)[nH+]1 ZINC000125239128 495411527 /nfs/dbraw/zinc/41/15/27/495411527.db2.gz AGMKTAKSJSYAKM-ROUUACIJSA-N 2 2 362.481 3.466 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)c2[nH]c(C)c(C(C)=O)c2CC)C1 ZINC000106211967 495433385 /nfs/dbraw/zinc/43/33/85/495433385.db2.gz WPZQQQZWRUMICS-MRXNPFEDSA-N 2 2 370.497 3.367 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)c2[nH]c(C)c(C(C)=O)c2CC)C1 ZINC000106211967 495433389 /nfs/dbraw/zinc/43/33/89/495433389.db2.gz WPZQQQZWRUMICS-MRXNPFEDSA-N 2 2 370.497 3.367 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cc(=O)oc3cc(O)ccc23)C1 ZINC000106216640 495434449 /nfs/dbraw/zinc/43/44/49/495434449.db2.gz RTJULIOASYCUJO-HNNXBMFYSA-N 2 2 353.422 3.095 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cc(=O)oc3cc(O)ccc23)C1 ZINC000106216640 495434455 /nfs/dbraw/zinc/43/44/55/495434455.db2.gz RTJULIOASYCUJO-HNNXBMFYSA-N 2 2 353.422 3.095 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N2CCCc3ccccc32)C1 ZINC000106216661 495435009 /nfs/dbraw/zinc/43/50/09/495435009.db2.gz HMWSZOLIELPKSI-GOSISDBHSA-N 2 2 352.482 3.062 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N2CCCc3ccccc32)C1 ZINC000106216661 495435010 /nfs/dbraw/zinc/43/50/10/495435010.db2.gz HMWSZOLIELPKSI-GOSISDBHSA-N 2 2 352.482 3.062 10 0 FGAELP CSc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000154585211 495663387 /nfs/dbraw/zinc/66/33/87/495663387.db2.gz UAEZKWHWWAHDJL-HOCLYGCPSA-N 2 2 358.511 3.405 10 0 FGAELP c1ccc(CCc2noc(C[N@H+]3CC[C@H](CNc4cccc[nH+]4)C3)n2)cc1 ZINC000173779500 495688636 /nfs/dbraw/zinc/68/86/36/495688636.db2.gz DDSLLBGIGPWVCJ-GOSISDBHSA-N 2 2 363.465 3.184 10 0 FGAELP c1ccc(CCc2noc(C[N@@H+]3CC[C@H](CNc4cccc[nH+]4)C3)n2)cc1 ZINC000173779500 495688643 /nfs/dbraw/zinc/68/86/43/495688643.db2.gz DDSLLBGIGPWVCJ-GOSISDBHSA-N 2 2 363.465 3.184 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@H](O)COc2cc(C)cc(C)c2)C1 ZINC000155228523 495883473 /nfs/dbraw/zinc/88/34/73/495883473.db2.gz DTSUWOQISMZBAJ-OALUTQOASA-N 2 2 357.498 3.139 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@H](O)COc2cc(C)cc(C)c2)C1 ZINC000155228523 495883477 /nfs/dbraw/zinc/88/34/77/495883477.db2.gz DTSUWOQISMZBAJ-OALUTQOASA-N 2 2 357.498 3.139 10 0 FGAELP CCO[C@H]1C[C@@H]([NH2+]CC(C)(C)[N@@H+]2CCc3ccccc3C2)C12CCOCC2 ZINC000186279668 495926061 /nfs/dbraw/zinc/92/60/61/495926061.db2.gz SFLGZYSCRPDHED-RTWAWAEBSA-N 2 2 372.553 3.387 10 0 FGAELP CCO[C@H]1C[C@@H]([NH2+]CC(C)(C)[N@H+]2CCc3ccccc3C2)C12CCOCC2 ZINC000186279668 495926067 /nfs/dbraw/zinc/92/60/67/495926067.db2.gz SFLGZYSCRPDHED-RTWAWAEBSA-N 2 2 372.553 3.387 10 0 FGAELP CCO[C@H]1C[C@H]([NH2+]CC(C)(C)[N@@H+]2CCc3ccccc3C2)C12CCOCC2 ZINC000186279630 495926177 /nfs/dbraw/zinc/92/61/77/495926177.db2.gz SFLGZYSCRPDHED-SFTDATJTSA-N 2 2 372.553 3.387 10 0 FGAELP CCO[C@H]1C[C@H]([NH2+]CC(C)(C)[N@H+]2CCc3ccccc3C2)C12CCOCC2 ZINC000186279630 495926185 /nfs/dbraw/zinc/92/61/85/495926185.db2.gz SFLGZYSCRPDHED-SFTDATJTSA-N 2 2 372.553 3.387 10 0 FGAELP Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1C ZINC000171640679 495960884 /nfs/dbraw/zinc/96/08/84/495960884.db2.gz BVUUOSPPTZEYLT-WOJBJXKFSA-N 2 2 369.509 3.181 10 0 FGAELP Cc1ccc(C)c(OC[C@H](O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1C ZINC000171640679 495960893 /nfs/dbraw/zinc/96/08/93/495960893.db2.gz BVUUOSPPTZEYLT-WOJBJXKFSA-N 2 2 369.509 3.181 10 0 FGAELP CCc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171643011 495962808 /nfs/dbraw/zinc/96/28/08/495962808.db2.gz VPTVFOUXMJYDMZ-IAGOWNOFSA-N 2 2 352.482 3.405 10 0 FGAELP CCc1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171643011 495962812 /nfs/dbraw/zinc/96/28/12/495962812.db2.gz VPTVFOUXMJYDMZ-IAGOWNOFSA-N 2 2 352.482 3.405 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccc(Cl)cn3)C2)[nH+]1 ZINC000171651509 495969689 /nfs/dbraw/zinc/96/96/89/495969689.db2.gz QUTFCGZMPAAZGX-LSDHHAIUSA-N 2 2 373.888 3.199 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccc(Cl)cn3)C2)[nH+]1 ZINC000171651509 495969696 /nfs/dbraw/zinc/96/96/96/495969696.db2.gz QUTFCGZMPAAZGX-LSDHHAIUSA-N 2 2 373.888 3.199 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)Nc3cc(F)cc(F)c3)C2)[nH+]1 ZINC000171650699 495970392 /nfs/dbraw/zinc/97/03/92/495970392.db2.gz QOWMQMVBUCANOI-CQSZACIVSA-N 2 2 360.408 3.041 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)Nc3cc(F)cc(F)c3)C2)[nH+]1 ZINC000171650699 495970398 /nfs/dbraw/zinc/97/03/98/495970398.db2.gz QOWMQMVBUCANOI-CQSZACIVSA-N 2 2 360.408 3.041 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@@H](C)c3nc4ccccc4c(=O)[nH]3)C2)[nH+]1 ZINC000171652062 495970654 /nfs/dbraw/zinc/97/06/54/495970654.db2.gz YKGCESNEJZWVAE-HOTGVXAUSA-N 2 2 363.465 3.122 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@H+]([C@@H](C)c3nc4ccccc4c(=O)[nH]3)C2)[nH+]1 ZINC000171652062 495970656 /nfs/dbraw/zinc/97/06/56/495970656.db2.gz YKGCESNEJZWVAE-HOTGVXAUSA-N 2 2 363.465 3.122 10 0 FGAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2cnc3ccsc3c2)nc[nH+]1 ZINC000180569034 496048281 /nfs/dbraw/zinc/04/82/81/496048281.db2.gz VPCHZGFJFUSXJQ-HIFRSBDPSA-N 2 2 368.510 3.448 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000178301841 496403741 /nfs/dbraw/zinc/40/37/41/496403741.db2.gz LZNNSHVMCGXZOV-CQSZACIVSA-N 2 2 366.918 3.029 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000178301841 496403746 /nfs/dbraw/zinc/40/37/46/496403746.db2.gz LZNNSHVMCGXZOV-CQSZACIVSA-N 2 2 366.918 3.029 10 0 FGAELP CCc1cccc(CC)c1NC(=O)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178299490 496403810 /nfs/dbraw/zinc/40/38/10/496403810.db2.gz IXZDHHPKYQSSPL-IBGZPJMESA-N 2 2 354.498 3.419 10 0 FGAELP CCc1cccc(CC)c1NC(=O)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178299490 496403814 /nfs/dbraw/zinc/40/38/14/496403814.db2.gz IXZDHHPKYQSSPL-IBGZPJMESA-N 2 2 354.498 3.419 10 0 FGAELP COc1ccc(Br)c(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000185223639 496710416 /nfs/dbraw/zinc/71/04/16/496710416.db2.gz AVYMZXBJLYVSCN-CQSZACIVSA-N 2 2 350.260 3.319 10 0 FGAELP COc1ccc(Br)c(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000185223639 496710419 /nfs/dbraw/zinc/71/04/19/496710419.db2.gz AVYMZXBJLYVSCN-CQSZACIVSA-N 2 2 350.260 3.319 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000247561746 496889098 /nfs/dbraw/zinc/88/90/98/496889098.db2.gz GDRUPFOEZDJETA-AZUAARDMSA-N 2 2 352.482 3.102 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000247561746 496889101 /nfs/dbraw/zinc/88/91/01/496889101.db2.gz GDRUPFOEZDJETA-AZUAARDMSA-N 2 2 352.482 3.102 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccccc2)C1 ZINC000248660311 497075350 /nfs/dbraw/zinc/07/53/50/497075350.db2.gz VVWCZNPKHFACHV-SJORKVTESA-N 2 2 372.538 3.232 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccccc2)C1 ZINC000248660311 497075353 /nfs/dbraw/zinc/07/53/53/497075353.db2.gz VVWCZNPKHFACHV-SJORKVTESA-N 2 2 372.538 3.232 10 0 FGAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)Nc2ccccc2)C1 ZINC000248660311 497075358 /nfs/dbraw/zinc/07/53/58/497075358.db2.gz VVWCZNPKHFACHV-SJORKVTESA-N 2 2 372.538 3.232 10 0 FGAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)Nc2ccccc2)C1 ZINC000248660311 497075360 /nfs/dbraw/zinc/07/53/60/497075360.db2.gz VVWCZNPKHFACHV-SJORKVTESA-N 2 2 372.538 3.232 10 0 FGAELP FC(F)(F)C(F)(F)COCC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000189367229 497097262 /nfs/dbraw/zinc/09/72/62/497097262.db2.gz AVBAHORFKMPRPL-GFCCVEGCSA-N 2 2 353.335 3.030 10 0 FGAELP FC(F)(F)C(F)(F)COCC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000189367229 497097265 /nfs/dbraw/zinc/09/72/65/497097265.db2.gz AVBAHORFKMPRPL-GFCCVEGCSA-N 2 2 353.335 3.030 10 0 FGAELP [NH3+][C@@H]1CCC[C@@H](C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000237875079 497306292 /nfs/dbraw/zinc/30/62/92/497306292.db2.gz BYDZOJZDIQIYFD-KBRIMQKVSA-N 2 2 367.896 3.077 10 0 FGAELP [NH3+][C@@H]1CCC[C@@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000237875079 497306296 /nfs/dbraw/zinc/30/62/96/497306296.db2.gz BYDZOJZDIQIYFD-KBRIMQKVSA-N 2 2 367.896 3.077 10 0 FGAELP COc1ccc(C)cc1NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261880182 497467251 /nfs/dbraw/zinc/46/72/51/497467251.db2.gz YJWKEGALOIHWSK-QRQLOZEOSA-N 2 2 367.493 3.005 10 0 FGAELP COc1ccc(C)cc1NC(=O)[C@@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261880182 497467256 /nfs/dbraw/zinc/46/72/56/497467256.db2.gz YJWKEGALOIHWSK-QRQLOZEOSA-N 2 2 367.493 3.005 10 0 FGAELP CC1CCN([C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c2ccccc2)CC1 ZINC000261958355 497482577 /nfs/dbraw/zinc/48/25/77/497482577.db2.gz PFEUTYMKFZSLFK-WBADGQHESA-N 2 2 371.569 3.206 10 0 FGAELP CC(C)[N@@H+]1C[C@H]([NH2+][C@H](C)CC(=O)N(C)Cc2ccccc2Cl)[C@@H](C)C1 ZINC000246390924 497718530 /nfs/dbraw/zinc/71/85/30/497718530.db2.gz KXAVECJIUMZABC-FCEWJHQRSA-N 2 2 365.949 3.395 10 0 FGAELP C[C@@H]1CN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)C[C@H]1[NH+]1CCOCC1 ZINC000301772535 498257878 /nfs/dbraw/zinc/25/78/78/498257878.db2.gz FAIFHJXRCGLCOJ-FZKQIMNGSA-N 2 2 365.399 3.411 10 0 FGAELP Cn1c(Cl)cnc1C[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000328604340 498872826 /nfs/dbraw/zinc/87/28/26/498872826.db2.gz JKYLKNCCJSQDHI-AWEZNQCLSA-N 2 2 350.919 3.279 10 0 FGAELP Cn1c(Cl)cnc1C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000328604340 498872833 /nfs/dbraw/zinc/87/28/33/498872833.db2.gz JKYLKNCCJSQDHI-AWEZNQCLSA-N 2 2 350.919 3.279 10 0 FGAELP CC(C)Oc1ccc(C[N@H+](Cc2cncnc2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000328622518 498879931 /nfs/dbraw/zinc/87/99/31/498879931.db2.gz BGTISQFCEDFIKQ-FQEVSTJZSA-N 2 2 354.498 3.408 10 0 FGAELP CC(C)Oc1ccc(C[N@@H+](Cc2cncnc2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000328622518 498879932 /nfs/dbraw/zinc/87/99/32/498879932.db2.gz BGTISQFCEDFIKQ-FQEVSTJZSA-N 2 2 354.498 3.408 10 0 FGAELP CCn1nc(C)c([C@@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c1C ZINC000390893321 499556126 /nfs/dbraw/zinc/55/61/26/499556126.db2.gz BLIWTUDAHMKVFR-UTKZUKDTSA-N 2 2 370.541 3.462 10 0 FGAELP CCn1nc(C)c([C@@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1C ZINC000390893321 499556127 /nfs/dbraw/zinc/55/61/27/499556127.db2.gz BLIWTUDAHMKVFR-UTKZUKDTSA-N 2 2 370.541 3.462 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCCN1Cn1c(Cc2cccs2)n[nH]c1=S ZINC000176074222 705570182 /nfs/dbraw/zinc/57/01/82/705570182.db2.gz MUZCTPGVZXSAET-CQSZACIVSA-N 2 2 374.539 3.220 10 0 FGAELP CNc1cc(N2CCC[C@@H]2C[NH2+]C2CCC(C(F)(F)F)CC2)nc[nH+]1 ZINC000184561467 712672919 /nfs/dbraw/zinc/67/29/19/712672919.db2.gz IHUZRHGSQAUCAS-JXQTWKCFSA-N 2 2 357.424 3.198 10 0 FGAELP CC(C)[C@H](C)NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000247084695 713635618 /nfs/dbraw/zinc/63/56/18/713635618.db2.gz WAGGPGSOAUSYRM-UHOSZYNNSA-N 2 2 352.567 3.010 10 0 FGAELP CC(C)[C@H](C)NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000247084695 713635619 /nfs/dbraw/zinc/63/56/19/713635619.db2.gz WAGGPGSOAUSYRM-UHOSZYNNSA-N 2 2 352.567 3.010 10 0 FGAELP C[C@@H](CCON1C(=[NH2+])NC(=[NH2+])NC1(C)C)c1ccc(Cl)c(Cl)c1 ZINC000045227837 208327688 /nfs/dbraw/zinc/32/76/88/208327688.db2.gz ASHJGOWRSXGHTC-VIFPVBQESA-N 2 2 358.273 3.100 10 0 FGAELP C[C@H](NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000085362438 494116606 /nfs/dbraw/zinc/11/66/06/494116606.db2.gz LREQSOVUBQOSRY-HOTGVXAUSA-N 2 2 357.502 3.209 10 0 FGAELP CCC[NH+]1CCC(N(C)C(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000074875531 494637940 /nfs/dbraw/zinc/63/79/40/494637940.db2.gz VITZDWJLAKIRFH-QGZVFWFLSA-N 2 2 369.513 3.449 10 0 FGAELP C[N@H+](Cc1ccc(F)c(Cl)c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000121202123 494643084 /nfs/dbraw/zinc/64/30/84/494643084.db2.gz YBYWHRBRVWMFSV-UHFFFAOYSA-N 2 2 350.869 3.272 10 0 FGAELP C[N@@H+](Cc1ccc(F)c(Cl)c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000121202123 494643088 /nfs/dbraw/zinc/64/30/88/494643088.db2.gz YBYWHRBRVWMFSV-UHFFFAOYSA-N 2 2 350.869 3.272 10 0 FGAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000133062596 494963053 /nfs/dbraw/zinc/96/30/53/494963053.db2.gz NIVNCFLPXBZBNA-DZGCQCFKSA-N 2 2 373.419 3.376 10 0 FGAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000133062596 494963057 /nfs/dbraw/zinc/96/30/57/494963057.db2.gz NIVNCFLPXBZBNA-DZGCQCFKSA-N 2 2 373.419 3.376 10 0 FGAELP C[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000122595136 495000456 /nfs/dbraw/zinc/00/04/56/495000456.db2.gz IBZKZKNJEHPALM-IAGOWNOFSA-N 2 2 369.490 3.385 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3nnc(-c4ccccc4)n3C)C2)[nH+]1 ZINC000103473866 495239653 /nfs/dbraw/zinc/23/96/53/495239653.db2.gz KZKJELQGZJDORK-QGZVFWFLSA-N 2 2 362.481 3.120 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@H+](Cc3nnc(-c4ccccc4)n3C)C2)[nH+]1 ZINC000103473866 495239657 /nfs/dbraw/zinc/23/96/57/495239657.db2.gz KZKJELQGZJDORK-QGZVFWFLSA-N 2 2 362.481 3.120 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@H](O)COc2cc(C)ccc2C)C1 ZINC000106212023 495432440 /nfs/dbraw/zinc/43/24/40/495432440.db2.gz AAGCQZHXARJGAF-OALUTQOASA-N 2 2 357.498 3.139 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@H](O)COc2cc(C)ccc2C)C1 ZINC000106212023 495432441 /nfs/dbraw/zinc/43/24/41/495432441.db2.gz AAGCQZHXARJGAF-OALUTQOASA-N 2 2 357.498 3.139 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cc(C)ccc2OC)C1 ZINC000106215151 495434350 /nfs/dbraw/zinc/43/43/50/495434350.db2.gz WFQUXFCURIRVOY-DLBZAZTESA-N 2 2 370.497 3.427 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cc(C)ccc2OC)C1 ZINC000106215151 495434356 /nfs/dbraw/zinc/43/43/56/495434356.db2.gz WFQUXFCURIRVOY-DLBZAZTESA-N 2 2 370.497 3.427 10 0 FGAELP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(F)c(Br)c1 ZINC000151258773 495786810 /nfs/dbraw/zinc/78/68/10/495786810.db2.gz YTPVLWLMZXKFBP-TZMCWYRMSA-N 2 2 359.283 3.086 10 0 FGAELP O=C(C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)Nc1cc(Cl)ccc1F ZINC000171645918 495963991 /nfs/dbraw/zinc/96/39/91/495963991.db2.gz FPNMPCCZCKVZPK-ZDUSSCGKSA-N 2 2 362.836 3.247 10 0 FGAELP O=C(C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)Nc1cc(Cl)ccc1F ZINC000171645918 495964000 /nfs/dbraw/zinc/96/40/00/495964000.db2.gz FPNMPCCZCKVZPK-ZDUSSCGKSA-N 2 2 362.836 3.247 10 0 FGAELP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171647603 495967167 /nfs/dbraw/zinc/96/71/67/495967167.db2.gz MIQAUOZSIXDDRK-LSDHHAIUSA-N 2 2 358.873 3.496 10 0 FGAELP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171647603 495967170 /nfs/dbraw/zinc/96/71/70/495967170.db2.gz MIQAUOZSIXDDRK-LSDHHAIUSA-N 2 2 358.873 3.496 10 0 FGAELP CC(=O)c1c(C)[nH]c(C(=O)C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)c1C ZINC000171652782 495972906 /nfs/dbraw/zinc/97/29/06/495972906.db2.gz DKVMBFUTDHPKKE-QGZVFWFLSA-N 2 2 368.481 3.154 10 0 FGAELP CC(=O)c1c(C)[nH]c(C(=O)C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)c1C ZINC000171652782 495972911 /nfs/dbraw/zinc/97/29/11/495972911.db2.gz DKVMBFUTDHPKKE-QGZVFWFLSA-N 2 2 368.481 3.154 10 0 FGAELP COc1ccc(C)cc1NC(=O)C[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000171653473 495973537 /nfs/dbraw/zinc/97/35/37/495973537.db2.gz PXGSKVBORRZVCP-QGZVFWFLSA-N 2 2 368.481 3.080 10 0 FGAELP COc1ccc(C)cc1NC(=O)C[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000171653473 495973543 /nfs/dbraw/zinc/97/35/43/495973543.db2.gz PXGSKVBORRZVCP-QGZVFWFLSA-N 2 2 368.481 3.080 10 0 FGAELP CC(C)n1nccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180649115 496085229 /nfs/dbraw/zinc/08/52/29/496085229.db2.gz SWQLUSVUYWYSCU-JKSUJKDBSA-N 2 2 366.469 3.328 10 0 FGAELP C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccc(F)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180665042 496094299 /nfs/dbraw/zinc/09/42/99/496094299.db2.gz IXWBPVSXEKFPDT-CVEARBPZSA-N 2 2 366.440 3.367 10 0 FGAELP C[C@@H]([NH2+]CC(=O)N([C@@H](C)C1CC1)C1CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180666195 496095656 /nfs/dbraw/zinc/09/56/56/496095656.db2.gz STLKXXCVYFFFLN-CVEARBPZSA-N 2 2 352.482 3.312 10 0 FGAELP C[C@H](NC(=O)C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1cccs1 ZINC000180671694 496098133 /nfs/dbraw/zinc/09/81/33/496098133.db2.gz XBJZVKOLLOYOPK-GJZGRUSLSA-N 2 2 354.479 3.462 10 0 FGAELP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@@H]2c3ccccc3CCC2(C)C)CC1 ZINC000152998975 496320205 /nfs/dbraw/zinc/32/02/05/496320205.db2.gz WCMJUUPZGGHMFT-HXUWFJFHSA-N 2 2 372.557 3.025 10 0 FGAELP C[C@@H](NC(=O)NCC[C@H](C)[NH+]1CCCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000181869032 496579728 /nfs/dbraw/zinc/57/97/28/496579728.db2.gz QENHXBPUTXSMQR-ZWKOTPCHSA-N 2 2 369.513 3.497 10 0 FGAELP CCOc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000247085333 496775256 /nfs/dbraw/zinc/77/52/56/496775256.db2.gz PNJVPOXMQXKBQX-RDJZCZTQSA-N 2 2 356.470 3.082 10 0 FGAELP CCOc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000247085333 496775257 /nfs/dbraw/zinc/77/52/57/496775257.db2.gz PNJVPOXMQXKBQX-RDJZCZTQSA-N 2 2 356.470 3.082 10 0 FGAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2nc3cc(F)ccc3o2)C1 ZINC000195299862 496880678 /nfs/dbraw/zinc/88/06/78/496880678.db2.gz MIGRAANVFHDHSO-MRXNPFEDSA-N 2 2 354.429 3.316 10 0 FGAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2nc3cc(F)ccc3o2)C1 ZINC000195299862 496880682 /nfs/dbraw/zinc/88/06/82/496880682.db2.gz MIGRAANVFHDHSO-MRXNPFEDSA-N 2 2 354.429 3.316 10 0 FGAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](Cc2nc3cc(F)ccc3o2)C1 ZINC000195299862 496880686 /nfs/dbraw/zinc/88/06/86/496880686.db2.gz MIGRAANVFHDHSO-MRXNPFEDSA-N 2 2 354.429 3.316 10 0 FGAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](Cc2nc3cc(F)ccc3o2)C1 ZINC000195299862 496880690 /nfs/dbraw/zinc/88/06/90/496880690.db2.gz MIGRAANVFHDHSO-MRXNPFEDSA-N 2 2 354.429 3.316 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)C1 ZINC000247587324 496893653 /nfs/dbraw/zinc/89/36/53/496893653.db2.gz JDTUIIUMZMVQTE-JTDSTZFVSA-N 2 2 372.488 3.487 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)C1 ZINC000247587324 496893654 /nfs/dbraw/zinc/89/36/54/496893654.db2.gz JDTUIIUMZMVQTE-JTDSTZFVSA-N 2 2 372.488 3.487 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N2CCCc3ccccc32)C1 ZINC000247777924 496914562 /nfs/dbraw/zinc/91/45/62/496914562.db2.gz RCTHZGUXYAETKE-IEBWSBKVSA-N 2 2 366.509 3.450 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)N2CCCc3ccccc32)C1 ZINC000247777924 496914568 /nfs/dbraw/zinc/91/45/68/496914568.db2.gz RCTHZGUXYAETKE-IEBWSBKVSA-N 2 2 366.509 3.450 10 0 FGAELP CCOC(=O)[C@H](CC(C)C)[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000248637174 497066787 /nfs/dbraw/zinc/06/67/87/497066787.db2.gz AAXORZMEWMTAEJ-IRXDYDNUSA-N 2 2 367.559 3.183 10 0 FGAELP CCOC(=O)[C@H](CC(C)C)[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000248637174 497066788 /nfs/dbraw/zinc/06/67/88/497066788.db2.gz AAXORZMEWMTAEJ-IRXDYDNUSA-N 2 2 367.559 3.183 10 0 FGAELP CCOC(=O)[C@H](CC(C)C)[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000248637174 497066791 /nfs/dbraw/zinc/06/67/91/497066791.db2.gz AAXORZMEWMTAEJ-IRXDYDNUSA-N 2 2 367.559 3.183 10 0 FGAELP CCOC(=O)[C@H](CC(C)C)[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000248637174 497066794 /nfs/dbraw/zinc/06/67/94/497066794.db2.gz AAXORZMEWMTAEJ-IRXDYDNUSA-N 2 2 367.559 3.183 10 0 FGAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCC[C@H](C(F)(F)F)C3)c2cc1C ZINC000193518819 497401614 /nfs/dbraw/zinc/40/16/14/497401614.db2.gz LLYLBZVUHZWDCZ-LSDHHAIUSA-N 2 2 355.404 3.288 10 0 FGAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCC[C@H](C(F)(F)F)C3)c2cc1C ZINC000193518819 497401616 /nfs/dbraw/zinc/40/16/16/497401616.db2.gz LLYLBZVUHZWDCZ-LSDHHAIUSA-N 2 2 355.404 3.288 10 0 FGAELP CCCc1ccc(C(=O)N(Cc2[nH+]ccn2C)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000261947313 497481480 /nfs/dbraw/zinc/48/14/80/497481480.db2.gz YMZDIYVDLGKRDK-LJQANCHMSA-N 2 2 366.509 3.157 10 0 FGAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](Cc2c[nH]nc2C(C)(C)C)C1 ZINC000190465677 497490085 /nfs/dbraw/zinc/49/00/85/497490085.db2.gz KSCGWKNACOZGTF-OAHLLOKOSA-N 2 2 361.559 3.426 10 0 FGAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2c[nH]nc2C(C)(C)C)C1 ZINC000190465677 497490090 /nfs/dbraw/zinc/49/00/90/497490090.db2.gz KSCGWKNACOZGTF-OAHLLOKOSA-N 2 2 361.559 3.426 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](Cc2c[nH]nc2C(C)(C)C)C1 ZINC000190465677 497490094 /nfs/dbraw/zinc/49/00/94/497490094.db2.gz KSCGWKNACOZGTF-OAHLLOKOSA-N 2 2 361.559 3.426 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2c[nH]nc2C(C)(C)C)C1 ZINC000190465677 497490097 /nfs/dbraw/zinc/49/00/97/497490097.db2.gz KSCGWKNACOZGTF-OAHLLOKOSA-N 2 2 361.559 3.426 10 0 FGAELP CCCn1nc(C)c(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)c1C ZINC000190476536 497495530 /nfs/dbraw/zinc/49/55/30/497495530.db2.gz PNNISOKUFDPKPN-FQEVSTJZSA-N 2 2 355.530 3.259 10 0 FGAELP CCCn1nc(C)c(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)c1C ZINC000190476536 497495535 /nfs/dbraw/zinc/49/55/35/497495535.db2.gz PNNISOKUFDPKPN-FQEVSTJZSA-N 2 2 355.530 3.259 10 0 FGAELP CCCn1nc(C)c(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)c1C ZINC000190476536 497495538 /nfs/dbraw/zinc/49/55/38/497495538.db2.gz PNNISOKUFDPKPN-FQEVSTJZSA-N 2 2 355.530 3.259 10 0 FGAELP CCCn1nc(C)c(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)c1C ZINC000190476536 497495546 /nfs/dbraw/zinc/49/55/46/497495546.db2.gz PNNISOKUFDPKPN-FQEVSTJZSA-N 2 2 355.530 3.259 10 0 FGAELP O[C@H](C[NH2+][C@H](c1ccc(Br)s1)C1CC1)C[NH+]1CCCCC1 ZINC000190592212 497536947 /nfs/dbraw/zinc/53/69/47/497536947.db2.gz TXUDEUQPJQFDRE-CJNGLKHVSA-N 2 2 373.360 3.398 10 0 FGAELP COc1ccccc1/C=C/C[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000284417538 499104633 /nfs/dbraw/zinc/10/46/33/499104633.db2.gz COKNMEFQEBNVKH-HSADQJOGSA-N 2 2 354.498 3.115 10 0 FGAELP COc1ccccc1/C=C/C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000284417538 499104638 /nfs/dbraw/zinc/10/46/38/499104638.db2.gz COKNMEFQEBNVKH-HSADQJOGSA-N 2 2 354.498 3.115 10 0 FGAELP CC(=O)Nc1ccc(CC[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000108485541 570907294 /nfs/dbraw/zinc/90/72/94/570907294.db2.gz NEZSVIVYABPKAG-HTAPYJJXSA-N 2 2 351.494 3.298 10 0 FGAELP CC(=O)Nc1ccc(CC[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000108485541 570907297 /nfs/dbraw/zinc/90/72/97/570907297.db2.gz NEZSVIVYABPKAG-HTAPYJJXSA-N 2 2 351.494 3.298 10 0 FGAELP CN1c2ccccc2[C@@]2([C@]34CC[NH+](C)[C@H]3Nc3ccccc34)CC[N@@H+](C)[C@@H]12 ZINC000056871294 574415304 /nfs/dbraw/zinc/41/53/04/574415304.db2.gz GSQUXSFTXJRLQJ-LDVJMBRRSA-N 2 2 360.505 3.061 10 0 endogenous,in-man FGAELP CN1c2ccccc2[C@@]2([C@]34CC[NH+](C)[C@H]3Nc3ccccc34)CC[N@H+](C)[C@@H]12 ZINC000056871294 574415305 /nfs/dbraw/zinc/41/53/05/574415305.db2.gz GSQUXSFTXJRLQJ-LDVJMBRRSA-N 2 2 360.505 3.061 10 0 endogenous,in-man FGAELP CN1c2ccccc2[C@@]2([C@]34CC[N@H+](C)[C@H]3Nc3ccccc34)CC[NH+](C)[C@@H]12 ZINC000056871294 574415306 /nfs/dbraw/zinc/41/53/06/574415306.db2.gz GSQUXSFTXJRLQJ-LDVJMBRRSA-N 2 2 360.505 3.061 10 0 endogenous,in-man FGAELP CN1c2ccccc2[C@@]2([C@]34CC[N@@H+](C)[C@H]3Nc3ccccc34)CC[NH+](C)[C@@H]12 ZINC000056871294 574415307 /nfs/dbraw/zinc/41/53/07/574415307.db2.gz GSQUXSFTXJRLQJ-LDVJMBRRSA-N 2 2 360.505 3.061 10 0 endogenous,in-man FGAELP C[C@H](C[NH+]1CCCCC1)[NH2+][C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000105784199 700504903 /nfs/dbraw/zinc/50/49/03/700504903.db2.gz LOMUGLKTTTZSRJ-KZNAEPCWSA-N 2 2 353.551 3.486 10 0 FGAELP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000073665300 494410073 /nfs/dbraw/zinc/41/00/73/494410073.db2.gz CHPIJRLSVSJUBU-IAGOWNOFSA-N 2 2 355.486 3.107 10 0 FGAELP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000073950326 494455166 /nfs/dbraw/zinc/45/51/66/494455166.db2.gz GZJLFHMEDXXBMU-CVEARBPZSA-N 2 2 366.469 3.074 10 0 FGAELP Cc1[nH+]ccn1CCCN(C)C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000121775107 494857656 /nfs/dbraw/zinc/85/76/56/494857656.db2.gz MTSZNLIALDHJBR-INIZCTEOSA-N 2 2 366.469 3.170 10 0 FGAELP C[N@H+](CCOc1ccccc1Cl)C1CC[NH+](CCn2cccn2)CC1 ZINC000106130772 495418170 /nfs/dbraw/zinc/41/81/70/495418170.db2.gz WPVHIECHTRGKBN-UHFFFAOYSA-N 2 2 362.905 3.012 10 0 FGAELP C[N@@H+](CCOc1ccccc1Cl)C1CC[NH+](CCn2cccn2)CC1 ZINC000106130772 495418174 /nfs/dbraw/zinc/41/81/74/495418174.db2.gz WPVHIECHTRGKBN-UHFFFAOYSA-N 2 2 362.905 3.012 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N2CCC[C@H]3CCCC[C@@H]32)C1 ZINC000106216000 495435215 /nfs/dbraw/zinc/43/52/15/495435215.db2.gz RRWXCPQBJVHFGJ-QRVBRYPASA-N 2 2 358.530 3.264 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N2CCC[C@H]3CCCC[C@@H]32)C1 ZINC000106216000 495435220 /nfs/dbraw/zinc/43/52/20/495435220.db2.gz RRWXCPQBJVHFGJ-QRVBRYPASA-N 2 2 358.530 3.264 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)N(C)Cc2ccccc2C)C1 ZINC000106214835 495435313 /nfs/dbraw/zinc/43/53/13/495435313.db2.gz MSPUYQZPSPXRMW-IBGZPJMESA-N 2 2 354.498 3.049 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)N(C)Cc2ccccc2C)C1 ZINC000106214835 495435318 /nfs/dbraw/zinc/43/53/18/495435318.db2.gz MSPUYQZPSPXRMW-IBGZPJMESA-N 2 2 354.498 3.049 10 0 FGAELP C[C@H]1CCC[N@@H+]1C1CCN(c2[nH+]cnc3c2cnn3-c2ccccc2)CC1 ZINC000154930705 495775567 /nfs/dbraw/zinc/77/55/67/495775567.db2.gz JUVXSSIDBKZVFA-INIZCTEOSA-N 2 2 362.481 3.269 10 0 FGAELP C[C@H]1CCC[N@H+]1C1CCN(c2[nH+]cnc3c2cnn3-c2ccccc2)CC1 ZINC000154930705 495775571 /nfs/dbraw/zinc/77/55/71/495775571.db2.gz JUVXSSIDBKZVFA-INIZCTEOSA-N 2 2 362.481 3.269 10 0 FGAELP Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1Cl ZINC000171648197 495965910 /nfs/dbraw/zinc/96/59/10/495965910.db2.gz NDDUQDYPOCOKNK-OAHLLOKOSA-N 2 2 358.873 3.416 10 0 FGAELP Cc1ccc(NC(=O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1Cl ZINC000171648197 495965914 /nfs/dbraw/zinc/96/59/14/495965914.db2.gz NDDUQDYPOCOKNK-OAHLLOKOSA-N 2 2 358.873 3.416 10 0 FGAELP CCc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171647238 495966819 /nfs/dbraw/zinc/96/68/19/495966819.db2.gz TWVOSMJCFVKPIM-FUHWJXTLSA-N 2 2 352.482 3.405 10 0 FGAELP CCc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171647238 495966825 /nfs/dbraw/zinc/96/68/25/495966825.db2.gz TWVOSMJCFVKPIM-FUHWJXTLSA-N 2 2 352.482 3.405 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccc(Cl)cn3)C2)[nH+]1 ZINC000171651505 495969826 /nfs/dbraw/zinc/96/98/26/495969826.db2.gz QUTFCGZMPAAZGX-GJZGRUSLSA-N 2 2 373.888 3.199 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccc(Cl)cn3)C2)[nH+]1 ZINC000171651505 495969832 /nfs/dbraw/zinc/96/98/32/495969832.db2.gz QUTFCGZMPAAZGX-GJZGRUSLSA-N 2 2 373.888 3.199 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)Nc3ccc(Cl)cc3)C2)[nH+]1 ZINC000171653228 495971979 /nfs/dbraw/zinc/97/19/79/495971979.db2.gz SXOWMNRGJADUHI-HNNXBMFYSA-N 2 2 358.873 3.416 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)Nc3ccc(Cl)cc3)C2)[nH+]1 ZINC000171653228 495971981 /nfs/dbraw/zinc/97/19/81/495971981.db2.gz SXOWMNRGJADUHI-HNNXBMFYSA-N 2 2 358.873 3.416 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)Cn2c3ccccc3[nH+]c2CC)C1 ZINC000171821165 496050076 /nfs/dbraw/zinc/05/00/76/496050076.db2.gz ZYZOPAKALBGVLU-MRXNPFEDSA-N 2 2 365.481 3.221 10 0 FGAELP C[C@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C(=O)NCc1cccs1 ZINC000180660480 496091649 /nfs/dbraw/zinc/09/16/49/496091649.db2.gz XJAIJVLWBWEAQK-GJZGRUSLSA-N 2 2 354.479 3.289 10 0 FGAELP CCOC(=O)[C@@H](c1ccccc1)[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000171922982 496093744 /nfs/dbraw/zinc/09/37/44/496093744.db2.gz RNPRESLWCLRFIS-YLJYHZDGSA-N 2 2 353.466 3.428 10 0 FGAELP CCOC(=O)[C@@H](c1ccccc1)[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000171922982 496093751 /nfs/dbraw/zinc/09/37/51/496093751.db2.gz RNPRESLWCLRFIS-YLJYHZDGSA-N 2 2 353.466 3.428 10 0 FGAELP Cn1cc(C[N@@H+]2CCCN(c3cc[nH+]c4ccc(Cl)cc43)CC2)cn1 ZINC000172278553 496238213 /nfs/dbraw/zinc/23/82/13/496238213.db2.gz SWZGKOLMEQRCQA-UHFFFAOYSA-N 2 2 355.873 3.334 10 0 FGAELP Cn1cc(C[N@H+]2CCCN(c3cc[nH+]c4ccc(Cl)cc43)CC2)cn1 ZINC000172278553 496238217 /nfs/dbraw/zinc/23/82/17/496238217.db2.gz SWZGKOLMEQRCQA-UHFFFAOYSA-N 2 2 355.873 3.334 10 0 FGAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2ncc(C(C)(C)C)o2)nc[nH+]1 ZINC000175184726 496281758 /nfs/dbraw/zinc/28/17/58/496281758.db2.gz IWZSQMACEOKONV-UONOGXRCSA-N 2 2 358.490 3.123 10 0 FGAELP C[C@H]1CC[C@H](NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c2ccccc21 ZINC000153080606 496346443 /nfs/dbraw/zinc/34/64/43/496346443.db2.gz OKPBTUQDGYIJNW-UWJYYQICSA-N 2 2 372.557 3.292 10 0 FGAELP C[C@H]1CC[C@H](NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c2ccccc21 ZINC000153080606 496346449 /nfs/dbraw/zinc/34/64/49/496346449.db2.gz OKPBTUQDGYIJNW-UWJYYQICSA-N 2 2 372.557 3.292 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@H](O)COc1ccccc1C(C)C ZINC000178285871 496399082 /nfs/dbraw/zinc/39/90/82/496399082.db2.gz UKWVPYQABKKTKL-OALUTQOASA-N 2 2 357.498 3.219 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@H](O)COc1ccccc1C(C)C ZINC000178285871 496399086 /nfs/dbraw/zinc/39/90/86/496399086.db2.gz UKWVPYQABKKTKL-OALUTQOASA-N 2 2 357.498 3.219 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(F)cc1Cl ZINC000178751804 496559773 /nfs/dbraw/zinc/55/97/73/496559773.db2.gz PMNYZJZOHQAQJO-AWEZNQCLSA-N 2 2 350.825 3.087 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(F)cc1Cl ZINC000178751804 496559776 /nfs/dbraw/zinc/55/97/76/496559776.db2.gz PMNYZJZOHQAQJO-AWEZNQCLSA-N 2 2 350.825 3.087 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)Nc1nc2ccc(F)cc2s1 ZINC000178751717 496560780 /nfs/dbraw/zinc/56/07/80/496560780.db2.gz MBPXIFXQZULOPM-CQSZACIVSA-N 2 2 373.457 3.043 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)Nc1nc2ccc(F)cc2s1 ZINC000178751717 496560783 /nfs/dbraw/zinc/56/07/83/496560783.db2.gz MBPXIFXQZULOPM-CQSZACIVSA-N 2 2 373.457 3.043 10 0 FGAELP C[C@@H](NC(=O)NC[C@H](c1ccco1)[NH+](C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173354072 496656642 /nfs/dbraw/zinc/65/66/42/496656642.db2.gz CLQDPBMRFMILBG-CRAIPNDOSA-N 2 2 367.453 3.128 10 0 FGAELP Fc1cccc(F)c1-n1ccc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)n1 ZINC000154045432 496666133 /nfs/dbraw/zinc/66/61/33/496666133.db2.gz ZUZBAZMDTZLFSK-HNNXBMFYSA-N 2 2 369.419 3.480 10 0 FGAELP Fc1cccc(F)c1-n1ccc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)n1 ZINC000154045432 496666137 /nfs/dbraw/zinc/66/61/37/496666137.db2.gz ZUZBAZMDTZLFSK-HNNXBMFYSA-N 2 2 369.419 3.480 10 0 FGAELP CC[NH+](CC)CCSCC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173430856 496690094 /nfs/dbraw/zinc/69/00/94/496690094.db2.gz RKAINFDMNPYMMO-INIZCTEOSA-N 2 2 360.527 3.125 10 0 FGAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccnc(Cl)c2)C1 ZINC000195249822 496860495 /nfs/dbraw/zinc/86/04/95/496860495.db2.gz RLOIDVPMOMSJPR-HNNXBMFYSA-N 2 2 350.919 3.454 10 0 FGAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccnc(Cl)c2)C1 ZINC000195249822 496860502 /nfs/dbraw/zinc/86/05/02/496860502.db2.gz RLOIDVPMOMSJPR-HNNXBMFYSA-N 2 2 350.919 3.454 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccnc(Cl)c2)C1 ZINC000195249822 496860509 /nfs/dbraw/zinc/86/05/09/496860509.db2.gz RLOIDVPMOMSJPR-HNNXBMFYSA-N 2 2 350.919 3.454 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC000195249822 496860515 /nfs/dbraw/zinc/86/05/15/496860515.db2.gz RLOIDVPMOMSJPR-HNNXBMFYSA-N 2 2 350.919 3.454 10 0 FGAELP Cc1ncsc1CC[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000195260644 496866154 /nfs/dbraw/zinc/86/61/54/496866154.db2.gz GRIUQBJXECMBAQ-HNNXBMFYSA-N 2 2 350.557 3.213 10 0 FGAELP Cc1ncsc1CC[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195260644 496866160 /nfs/dbraw/zinc/86/61/60/496866160.db2.gz GRIUQBJXECMBAQ-HNNXBMFYSA-N 2 2 350.557 3.213 10 0 FGAELP Cc1ncsc1CC[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195260644 496866166 /nfs/dbraw/zinc/86/61/66/496866166.db2.gz GRIUQBJXECMBAQ-HNNXBMFYSA-N 2 2 350.557 3.213 10 0 FGAELP Cc1ncsc1CC[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195260644 496866173 /nfs/dbraw/zinc/86/61/73/496866173.db2.gz GRIUQBJXECMBAQ-HNNXBMFYSA-N 2 2 350.557 3.213 10 0 FGAELP COc1ccc(CC[N@@H+]2CC[C@H](C[NH+](C)Cc3scnc3C)C2)cc1 ZINC000195261797 496866582 /nfs/dbraw/zinc/86/65/82/496866582.db2.gz XYBMPSSDZSLXSD-GOSISDBHSA-N 2 2 359.539 3.457 10 0 FGAELP COc1ccc(CC[N@H+]2CC[C@H](C[NH+](C)Cc3scnc3C)C2)cc1 ZINC000195261797 496866587 /nfs/dbraw/zinc/86/65/87/496866587.db2.gz XYBMPSSDZSLXSD-GOSISDBHSA-N 2 2 359.539 3.457 10 0 FGAELP COc1ccc(CC[NH+]2CC[C@H](C[N@H+](C)Cc3scnc3C)C2)cc1 ZINC000195261797 496866589 /nfs/dbraw/zinc/86/65/89/496866589.db2.gz XYBMPSSDZSLXSD-GOSISDBHSA-N 2 2 359.539 3.457 10 0 FGAELP COc1ccc(CC[NH+]2CC[C@H](C[N@@H+](C)Cc3scnc3C)C2)cc1 ZINC000195261797 496866594 /nfs/dbraw/zinc/86/65/94/496866594.db2.gz XYBMPSSDZSLXSD-GOSISDBHSA-N 2 2 359.539 3.457 10 0 FGAELP Cc1nc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)nc2ccccc12 ZINC000195270192 496870840 /nfs/dbraw/zinc/87/08/40/496870840.db2.gz HCSZZFOZBOGQQV-IBGZPJMESA-N 2 2 361.493 3.287 10 0 FGAELP Cc1nc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)nc2ccccc12 ZINC000195270192 496870846 /nfs/dbraw/zinc/87/08/46/496870846.db2.gz HCSZZFOZBOGQQV-IBGZPJMESA-N 2 2 361.493 3.287 10 0 FGAELP Cc1nc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)nc2ccccc12 ZINC000195270192 496870850 /nfs/dbraw/zinc/87/08/50/496870850.db2.gz HCSZZFOZBOGQQV-IBGZPJMESA-N 2 2 361.493 3.287 10 0 FGAELP Cc1nc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)nc2ccccc12 ZINC000195270192 496870854 /nfs/dbraw/zinc/87/08/54/496870854.db2.gz HCSZZFOZBOGQQV-IBGZPJMESA-N 2 2 361.493 3.287 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)N2c3ccccc3CC[C@H]2C)C1 ZINC000247558868 496888540 /nfs/dbraw/zinc/88/85/40/496888540.db2.gz FTVUNMSILCXKRS-MJGOQNOKSA-N 2 2 366.509 3.450 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)N2c3ccccc3CC[C@H]2C)C1 ZINC000247558868 496888545 /nfs/dbraw/zinc/88/85/45/496888545.db2.gz FTVUNMSILCXKRS-MJGOQNOKSA-N 2 2 366.509 3.450 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(C(C)=O)cc2)C1 ZINC000247771415 496913432 /nfs/dbraw/zinc/91/34/32/496913432.db2.gz PFUHMZOYNYLHQD-DNVCBOLYSA-N 2 2 368.481 3.312 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc(C(C)=O)cc2)C1 ZINC000247771415 496913438 /nfs/dbraw/zinc/91/34/38/496913438.db2.gz PFUHMZOYNYLHQD-DNVCBOLYSA-N 2 2 368.481 3.312 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cc(C)ccc2OC)C1 ZINC000247815915 496918727 /nfs/dbraw/zinc/91/87/27/496918727.db2.gz WFQUXFCURIRVOY-IAGOWNOFSA-N 2 2 370.497 3.427 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cc(C)ccc2OC)C1 ZINC000247815915 496918732 /nfs/dbraw/zinc/91/87/32/496918732.db2.gz WFQUXFCURIRVOY-IAGOWNOFSA-N 2 2 370.497 3.427 10 0 FGAELP C[C@H]([NH2+]CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000248419693 497004657 /nfs/dbraw/zinc/00/46/57/497004657.db2.gz LETWNBURIUZXKE-OGNFBWPZSA-N 2 2 354.498 3.464 10 0 FGAELP Cc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248660408 497075445 /nfs/dbraw/zinc/07/54/45/497075445.db2.gz WBOSYNXLOOMPAF-ICSRJNTNSA-N 2 2 366.509 3.171 10 0 FGAELP Cc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248660408 497075448 /nfs/dbraw/zinc/07/54/48/497075448.db2.gz WBOSYNXLOOMPAF-ICSRJNTNSA-N 2 2 366.509 3.171 10 0 FGAELP Cc1ccccc1NC(=O)[C@H](C)[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248660408 497075454 /nfs/dbraw/zinc/07/54/54/497075454.db2.gz WBOSYNXLOOMPAF-ICSRJNTNSA-N 2 2 366.509 3.171 10 0 FGAELP Cc1ccccc1NC(=O)[C@H](C)[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248660408 497075455 /nfs/dbraw/zinc/07/54/55/497075455.db2.gz WBOSYNXLOOMPAF-ICSRJNTNSA-N 2 2 366.509 3.171 10 0 FGAELP C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248659499 497075530 /nfs/dbraw/zinc/07/55/30/497075530.db2.gz VGMOBADGRKBINC-XCJLJZCSSA-N 2 2 372.557 3.013 10 0 FGAELP C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248659499 497075535 /nfs/dbraw/zinc/07/55/35/497075535.db2.gz VGMOBADGRKBINC-XCJLJZCSSA-N 2 2 372.557 3.013 10 0 FGAELP C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248659499 497075540 /nfs/dbraw/zinc/07/55/40/497075540.db2.gz VGMOBADGRKBINC-XCJLJZCSSA-N 2 2 372.557 3.013 10 0 FGAELP C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248659499 497075547 /nfs/dbraw/zinc/07/55/47/497075547.db2.gz VGMOBADGRKBINC-XCJLJZCSSA-N 2 2 372.557 3.013 10 0 FGAELP FC(F)(F)C(F)(F)COCC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000189367207 497096734 /nfs/dbraw/zinc/09/67/34/497096734.db2.gz AVBAHORFKMPRPL-LBPRGKRZSA-N 2 2 353.335 3.030 10 0 FGAELP FC(F)(F)C(F)(F)COCC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000189367207 497096738 /nfs/dbraw/zinc/09/67/38/497096738.db2.gz AVBAHORFKMPRPL-LBPRGKRZSA-N 2 2 353.335 3.030 10 0 FGAELP C[N@H+](CC(=O)Nc1ccc(Br)cc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000231668702 497109250 /nfs/dbraw/zinc/10/92/50/497109250.db2.gz LXGMEFYTMIRLSQ-LBPRGKRZSA-N 2 2 374.710 3.115 10 0 FGAELP C[N@@H+](CC(=O)Nc1ccc(Br)cc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000231668702 497109253 /nfs/dbraw/zinc/10/92/53/497109253.db2.gz LXGMEFYTMIRLSQ-LBPRGKRZSA-N 2 2 374.710 3.115 10 0 FGAELP CCO[C@@H]1C[C@H]([NH2+]C[C@H](c2ccc(CC)cc2)[NH+](C)C)C12CCOCC2 ZINC000248975290 497143434 /nfs/dbraw/zinc/14/34/34/497143434.db2.gz HMLYDUGMIYKDPO-QHAWAJNXSA-N 2 2 360.542 3.416 10 0 FGAELP CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)C12CCOCC2 ZINC000249008107 497150336 /nfs/dbraw/zinc/15/03/36/497150336.db2.gz OFTBIFLAOQRAQG-LSTHTHJFSA-N 2 2 355.482 3.497 10 0 FGAELP C[C@H]([NH2+]C[C@H](O)COc1ccccc1F)c1cccc(-n2cc[nH+]c2)c1 ZINC000189888012 497281385 /nfs/dbraw/zinc/28/13/85/497281385.db2.gz VRUQBVMURFRLIU-YJBOKZPZSA-N 2 2 355.413 3.102 10 0 FGAELP O[C@@H](C[NH2+][C@@H]1CCSc2c(F)cccc21)C[N@@H+]1CCc2ccccc2C1 ZINC000193552888 497411626 /nfs/dbraw/zinc/41/16/26/497411626.db2.gz KCKNQGOBFGXKAY-FXAWDEMLSA-N 2 2 372.509 3.371 10 0 FGAELP O[C@@H](C[NH2+][C@@H]1CCSc2c(F)cccc21)C[N@H+]1CCc2ccccc2C1 ZINC000193552888 497411631 /nfs/dbraw/zinc/41/16/31/497411631.db2.gz KCKNQGOBFGXKAY-FXAWDEMLSA-N 2 2 372.509 3.371 10 0 FGAELP COC[C@@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(Cl)cc1 ZINC000193664186 497442118 /nfs/dbraw/zinc/44/21/18/497442118.db2.gz OUSFJAFMBRGWBB-LEWJYISDSA-N 2 2 374.912 3.036 10 0 FGAELP COC[C@@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(Cl)cc1 ZINC000193664186 497442125 /nfs/dbraw/zinc/44/21/25/497442125.db2.gz OUSFJAFMBRGWBB-LEWJYISDSA-N 2 2 374.912 3.036 10 0 FGAELP Cn1cc[nH+]c1CN(Cc1ccsc1Cl)[C@H]1CC12CC[NH2+]CC2 ZINC000261976593 497486239 /nfs/dbraw/zinc/48/62/39/497486239.db2.gz QWQKDURVBUXNSN-AWEZNQCLSA-N 2 2 350.919 3.279 10 0 FGAELP CCn1nc(C)c(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3scnc3C)C2)c1C ZINC000190463801 497490537 /nfs/dbraw/zinc/49/05/37/497490537.db2.gz JFWHQZNODFSIMT-KRWDZBQOSA-N 2 2 361.559 3.239 10 0 FGAELP CCn1nc(C)c(C[N@H+]2CC[C@@H](C[NH+](C)Cc3scnc3C)C2)c1C ZINC000190463801 497490540 /nfs/dbraw/zinc/49/05/40/497490540.db2.gz JFWHQZNODFSIMT-KRWDZBQOSA-N 2 2 361.559 3.239 10 0 FGAELP CCn1nc(C)c(C[NH+]2CC[C@@H](C[N@H+](C)Cc3scnc3C)C2)c1C ZINC000190463801 497490542 /nfs/dbraw/zinc/49/05/42/497490542.db2.gz JFWHQZNODFSIMT-KRWDZBQOSA-N 2 2 361.559 3.239 10 0 FGAELP CCn1nc(C)c(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3scnc3C)C2)c1C ZINC000190463801 497490545 /nfs/dbraw/zinc/49/05/45/497490545.db2.gz JFWHQZNODFSIMT-KRWDZBQOSA-N 2 2 361.559 3.239 10 0 FGAELP C[C@@H]1C[N@H+](Cc2cn(Cc3ccccc3)nc2-c2cccs2)C[C@H]1[NH3+] ZINC000262131799 497513229 /nfs/dbraw/zinc/51/32/29/497513229.db2.gz YGBIQOPGVJEKCA-CRAIPNDOSA-N 2 2 352.507 3.439 10 0 FGAELP C[C@@H]1C[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2cccs2)C[C@H]1[NH3+] ZINC000262131799 497513232 /nfs/dbraw/zinc/51/32/32/497513232.db2.gz YGBIQOPGVJEKCA-CRAIPNDOSA-N 2 2 352.507 3.439 10 0 FGAELP Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245770197 497534145 /nfs/dbraw/zinc/53/41/45/497534145.db2.gz XDIYNXXRFYOFFO-YRPNKDGESA-N 2 2 351.498 3.207 10 0 FGAELP Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245770197 497534149 /nfs/dbraw/zinc/53/41/49/497534149.db2.gz XDIYNXXRFYOFFO-YRPNKDGESA-N 2 2 351.498 3.207 10 0 FGAELP CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246088715 497618740 /nfs/dbraw/zinc/61/87/40/497618740.db2.gz GAVMOJVEDIXZIL-QFBILLFUSA-N 2 2 368.481 3.241 10 0 FGAELP CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246088715 497618742 /nfs/dbraw/zinc/61/87/42/497618742.db2.gz GAVMOJVEDIXZIL-QFBILLFUSA-N 2 2 368.481 3.241 10 0 FGAELP O=C1[C@@H]([N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CCN1c1cccc(Cl)c1 ZINC000246098079 497620822 /nfs/dbraw/zinc/62/08/22/497620822.db2.gz ALLZPRXVPFJMEC-QAPCUYQASA-N 2 2 370.884 3.274 10 0 FGAELP O=C1[C@@H]([N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CCN1c1cccc(Cl)c1 ZINC000246098079 497620823 /nfs/dbraw/zinc/62/08/23/497620823.db2.gz ALLZPRXVPFJMEC-QAPCUYQASA-N 2 2 370.884 3.274 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@@H](O)COc2cc(C)ccc2C)C1 ZINC000246905982 497819760 /nfs/dbraw/zinc/81/97/60/497819760.db2.gz AAGCQZHXARJGAF-RBUKOAKNSA-N 2 2 357.498 3.139 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@@H](O)COc2cc(C)ccc2C)C1 ZINC000246905982 497819761 /nfs/dbraw/zinc/81/97/61/497819761.db2.gz AAGCQZHXARJGAF-RBUKOAKNSA-N 2 2 357.498 3.139 10 0 FGAELP CN(C)c1ccc(N[C@H]2CCC[N@H+](Cc3cccc(C(N)=O)c3)CC2)c[nH+]1 ZINC000328626865 498880377 /nfs/dbraw/zinc/88/03/77/498880377.db2.gz FODIPVBBNDSFOU-SFHVURJKSA-N 2 2 367.497 3.498 10 0 FGAELP CN(C)c1ccc(N[C@H]2CCC[N@@H+](Cc3cccc(C(N)=O)c3)CC2)c[nH+]1 ZINC000328626865 498880384 /nfs/dbraw/zinc/88/03/84/498880384.db2.gz FODIPVBBNDSFOU-SFHVURJKSA-N 2 2 367.497 3.498 10 0 FGAELP COc1cc(Br)ccc1C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000188401786 712769164 /nfs/dbraw/zinc/76/91/64/712769164.db2.gz BTZBUHGBTNUAQX-OAHLLOKOSA-N 2 2 350.260 3.319 10 0 FGAELP COc1cc(Br)ccc1C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000188401786 712769166 /nfs/dbraw/zinc/76/91/66/712769166.db2.gz BTZBUHGBTNUAQX-OAHLLOKOSA-N 2 2 350.260 3.319 10 0 FGAELP Brc1cc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc2c1OCO2 ZINC000188402100 712769183 /nfs/dbraw/zinc/76/91/83/712769183.db2.gz CLJIBNYIGDUWBB-ZDUSSCGKSA-N 2 2 364.243 3.039 10 0 FGAELP Brc1cc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc2c1OCO2 ZINC000188402100 712769185 /nfs/dbraw/zinc/76/91/85/712769185.db2.gz CLJIBNYIGDUWBB-ZDUSSCGKSA-N 2 2 364.243 3.039 10 0 FGAELP CC[NH+](CC)[C@H]1CCN(C(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000076471218 493899548 /nfs/dbraw/zinc/89/95/48/493899548.db2.gz KJVHUSCXFULXKY-APWZRJJASA-N 2 2 355.486 3.059 10 0 FGAELP COc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000092812934 494759449 /nfs/dbraw/zinc/75/94/49/494759449.db2.gz BLXIFNIVZYJUIU-INIZCTEOSA-N 2 2 363.465 3.414 10 0 FGAELP COc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000092812934 494759457 /nfs/dbraw/zinc/75/94/57/494759457.db2.gz BLXIFNIVZYJUIU-INIZCTEOSA-N 2 2 363.465 3.414 10 0 FGAELP C[NH+](C)[C@@H]1CCN(C(=O)Cn2c3ccccc3[nH+]c2C2CCCCC2)C1 ZINC000126832430 494846310 /nfs/dbraw/zinc/84/63/10/494846310.db2.gz CZAOCEZHTDZKSG-QGZVFWFLSA-N 2 2 354.498 3.247 10 0 FGAELP Cc1cccc(C)c1OCCC[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000112697848 495224378 /nfs/dbraw/zinc/22/43/78/495224378.db2.gz LHNOIOXCNDHQQB-UHFFFAOYSA-N 2 2 370.541 3.365 10 0 FGAELP Cc1cccc(C)c1OCCC[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000112697848 495224380 /nfs/dbraw/zinc/22/43/80/495224380.db2.gz LHNOIOXCNDHQQB-UHFFFAOYSA-N 2 2 370.541 3.365 10 0 FGAELP C[C@@H](NC(=O)N1CCC(CC[NH+](C)C)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173451089 495535213 /nfs/dbraw/zinc/53/52/13/495535213.db2.gz KZBWABXGAVDQIX-QGZVFWFLSA-N 2 2 369.513 3.307 10 0 FGAELP C[NH+]1CCC(CNC(=O)N2CCC[C@H]2c2ccco2)([NH+]2CCCCC2)CC1 ZINC000173510179 495564933 /nfs/dbraw/zinc/56/49/33/495564933.db2.gz JLWVDOSDQSADRB-SFHVURJKSA-N 2 2 374.529 3.076 10 0 FGAELP Cc1sc2[nH]c([C@H](C)[N@@H+]3CCC[C@@H]3Cn3cc[nH+]c3C)nc(=O)c2c1C ZINC000154579132 495660033 /nfs/dbraw/zinc/66/00/33/495660033.db2.gz ASYOOIDOLFDLBV-SWLSCSKDSA-N 2 2 371.510 3.332 10 0 FGAELP Cc1sc2[nH]c([C@H](C)[N@H+]3CCC[C@@H]3Cn3cc[nH+]c3C)nc(=O)c2c1C ZINC000154579132 495660036 /nfs/dbraw/zinc/66/00/36/495660036.db2.gz ASYOOIDOLFDLBV-SWLSCSKDSA-N 2 2 371.510 3.332 10 0 FGAELP C[C@H](NC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173953112 495761202 /nfs/dbraw/zinc/76/12/02/495761202.db2.gz KBUMUXRVCRCMBJ-ROUUACIJSA-N 2 2 374.488 3.496 10 0 FGAELP C[C@H](NC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173953112 495761208 /nfs/dbraw/zinc/76/12/08/495761208.db2.gz KBUMUXRVCRCMBJ-ROUUACIJSA-N 2 2 374.488 3.496 10 0 FGAELP COc1ccc([C@H](C)[NH2+][C@H]2CCCn3ncnc32)cc1C[NH+]1CCCCC1 ZINC000183090878 495830191 /nfs/dbraw/zinc/83/01/91/495830191.db2.gz DVLSTFHQFPMATD-LPHOPBHVSA-N 2 2 369.513 3.458 10 0 FGAELP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)C12CCOCC2 ZINC000186338871 495954273 /nfs/dbraw/zinc/95/42/73/495954273.db2.gz QGBKLMDIUNZRBI-PCCBWWKXSA-N 2 2 358.526 3.215 10 0 FGAELP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)C12CCOCC2 ZINC000186338871 495954276 /nfs/dbraw/zinc/95/42/76/495954276.db2.gz QGBKLMDIUNZRBI-PCCBWWKXSA-N 2 2 358.526 3.215 10 0 FGAELP Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171643215 495962603 /nfs/dbraw/zinc/96/26/03/495962603.db2.gz QPJPEWUKIPKYES-RTBURBONSA-N 2 2 366.509 3.171 10 0 FGAELP Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171643215 495962606 /nfs/dbraw/zinc/96/26/06/495962606.db2.gz QPJPEWUKIPKYES-RTBURBONSA-N 2 2 366.509 3.171 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccc(F)cc3F)C2)[nH+]1 ZINC000171650906 495970721 /nfs/dbraw/zinc/97/07/21/495970721.db2.gz JRQMFGASGBHKSP-LSDHHAIUSA-N 2 2 374.435 3.429 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccc(F)cc3F)C2)[nH+]1 ZINC000171650906 495970723 /nfs/dbraw/zinc/97/07/23/495970723.db2.gz JRQMFGASGBHKSP-LSDHHAIUSA-N 2 2 374.435 3.429 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)Nc3cc(F)ccc3F)C2)[nH+]1 ZINC000171652916 495971956 /nfs/dbraw/zinc/97/19/56/495971956.db2.gz YFKZVGLVRRBPMD-CQSZACIVSA-N 2 2 360.408 3.041 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)Nc3cc(F)ccc3F)C2)[nH+]1 ZINC000171652916 495971957 /nfs/dbraw/zinc/97/19/57/495971957.db2.gz YFKZVGLVRRBPMD-CQSZACIVSA-N 2 2 360.408 3.041 10 0 FGAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)CCc2ccc(OC)cc2)nc[nH+]1 ZINC000180570294 496048845 /nfs/dbraw/zinc/04/88/45/496048845.db2.gz AKGGCCYTUMVIMG-FUHWJXTLSA-N 2 2 369.513 3.107 10 0 FGAELP C[C@H]([NH2+]CC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180655559 496090348 /nfs/dbraw/zinc/09/03/48/496090348.db2.gz LETWNBURIUZXKE-PFRQMTDMSA-N 2 2 354.498 3.464 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H]2CCCN(c3ccccc3F)C2=O)C1 ZINC000157227797 496433143 /nfs/dbraw/zinc/43/31/43/496433143.db2.gz WXFJUSWAAMTEGQ-QFBILLFUSA-N 2 2 370.472 3.417 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H]2CCCN(c3ccccc3F)C2=O)C1 ZINC000157227797 496433147 /nfs/dbraw/zinc/43/31/47/496433147.db2.gz WXFJUSWAAMTEGQ-QFBILLFUSA-N 2 2 370.472 3.417 10 0 FGAELP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1cc(Br)ccc1F ZINC000178519124 496484727 /nfs/dbraw/zinc/48/47/27/496484727.db2.gz WDQYQGLYWOMGRR-JSGCOSHPSA-N 2 2 359.283 3.086 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccc(OCc2nccn2C)cc1 ZINC000178748390 496559203 /nfs/dbraw/zinc/55/92/03/496559203.db2.gz OVZMBIOEAOMDRF-IBGZPJMESA-N 2 2 365.481 3.169 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccc(OCc2nccn2C)cc1 ZINC000178748390 496559209 /nfs/dbraw/zinc/55/92/09/496559209.db2.gz OVZMBIOEAOMDRF-IBGZPJMESA-N 2 2 365.481 3.169 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N2CCC[C@H]3CCCC[C@H]32)C1 ZINC000247780118 496914344 /nfs/dbraw/zinc/91/43/44/496914344.db2.gz RRWXCPQBJVHFGJ-GUDVDZBRSA-N 2 2 358.530 3.264 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N2CCC[C@H]3CCCC[C@H]32)C1 ZINC000247780118 496914348 /nfs/dbraw/zinc/91/43/48/496914348.db2.gz RRWXCPQBJVHFGJ-GUDVDZBRSA-N 2 2 358.530 3.264 10 0 FGAELP C[N@H+](Cc1cc(F)ccc1Cl)C1CC[NH+](CCn2cccn2)CC1 ZINC000188958373 496959915 /nfs/dbraw/zinc/95/99/15/496959915.db2.gz SJAIXRXSSUXTLC-UHFFFAOYSA-N 2 2 350.869 3.272 10 0 FGAELP C[N@@H+](Cc1cc(F)ccc1Cl)C1CC[NH+](CCn2cccn2)CC1 ZINC000188958373 496959919 /nfs/dbraw/zinc/95/99/19/496959919.db2.gz SJAIXRXSSUXTLC-UHFFFAOYSA-N 2 2 350.869 3.272 10 0 FGAELP O[C@@H](C[NH2+]Cc1ccc(Br)c(Cl)c1)C[NH+]1CCCCC1 ZINC000192166481 497021191 /nfs/dbraw/zinc/02/11/91/497021191.db2.gz ZTERSLIEBXKFEO-ZDUSSCGKSA-N 2 2 361.711 3.039 10 0 FGAELP C[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000229585188 497099752 /nfs/dbraw/zinc/09/97/52/497099752.db2.gz MFXNZPJZLQQHIE-NSHDSACASA-N 2 2 362.109 3.395 10 0 FGAELP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000229585188 497099751 /nfs/dbraw/zinc/09/97/51/497099751.db2.gz MFXNZPJZLQQHIE-NSHDSACASA-N 2 2 362.109 3.395 10 0 FGAELP CCO[C@@H]1C[C@H]([NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)C12CCOCC2 ZINC000248910018 497132445 /nfs/dbraw/zinc/13/24/45/497132445.db2.gz BWZVGHUTWSCXPJ-PCCBWWKXSA-N 2 2 358.526 3.215 10 0 FGAELP CCO[C@@H]1C[C@H]([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)C12CCOCC2 ZINC000248910018 497132448 /nfs/dbraw/zinc/13/24/48/497132448.db2.gz BWZVGHUTWSCXPJ-PCCBWWKXSA-N 2 2 358.526 3.215 10 0 FGAELP C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1F)c1cccc(-n2cc[nH+]c2)c1 ZINC000189888074 497281222 /nfs/dbraw/zinc/28/12/22/497281222.db2.gz VRUQBVMURFRLIU-CRAIPNDOSA-N 2 2 355.413 3.102 10 0 FGAELP Cc1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000189912779 497290690 /nfs/dbraw/zinc/29/06/90/497290690.db2.gz DWESYAOXTLBGHD-FXAWDEMLSA-N 2 2 351.450 3.271 10 0 FGAELP CC(C)N(C)c1ccc(C[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cn1 ZINC000261656525 497428044 /nfs/dbraw/zinc/42/80/44/497428044.db2.gz BKGWTTSUERKHNZ-OAQYLSRUSA-N 2 2 367.541 3.466 10 0 FGAELP CC(C)N(C)c1ccc(C[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cn1 ZINC000261656525 497428049 /nfs/dbraw/zinc/42/80/49/497428049.db2.gz BKGWTTSUERKHNZ-OAQYLSRUSA-N 2 2 367.541 3.466 10 0 FGAELP COc1ccc(C)cc1NC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261880184 497467391 /nfs/dbraw/zinc/46/73/91/497467391.db2.gz YJWKEGALOIHWSK-UHOSZYNNSA-N 2 2 367.493 3.005 10 0 FGAELP COc1ccc(C)cc1NC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261880184 497467397 /nfs/dbraw/zinc/46/73/97/497467397.db2.gz YJWKEGALOIHWSK-UHOSZYNNSA-N 2 2 367.493 3.005 10 0 FGAELP CC(=O)Nc1ccccc1C[NH+]1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000190458476 497485511 /nfs/dbraw/zinc/48/55/11/497485511.db2.gz GRTXTMOJOPFYIH-QGZVFWFLSA-N 2 2 372.538 3.364 10 0 FGAELP CC(=O)Nc1ccccc1C[NH+]1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000190458476 497485516 /nfs/dbraw/zinc/48/55/16/497485516.db2.gz GRTXTMOJOPFYIH-QGZVFWFLSA-N 2 2 372.538 3.364 10 0 FGAELP CC(=O)Nc1ccccc1C[N@@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000190458476 497485527 /nfs/dbraw/zinc/48/55/27/497485527.db2.gz GRTXTMOJOPFYIH-QGZVFWFLSA-N 2 2 372.538 3.364 10 0 FGAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc3c(c2)OCCO3)C1 ZINC000190466353 497490373 /nfs/dbraw/zinc/49/03/73/497490373.db2.gz LQYNYQIAXYXWOL-KRWDZBQOSA-N 2 2 373.522 3.177 10 0 FGAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc3c(c2)OCCO3)C1 ZINC000190466353 497490376 /nfs/dbraw/zinc/49/03/76/497490376.db2.gz LQYNYQIAXYXWOL-KRWDZBQOSA-N 2 2 373.522 3.177 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc3c(c2)OCCO3)C1 ZINC000190466353 497490379 /nfs/dbraw/zinc/49/03/79/497490379.db2.gz LQYNYQIAXYXWOL-KRWDZBQOSA-N 2 2 373.522 3.177 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)OCCO3)C1 ZINC000190466353 497490383 /nfs/dbraw/zinc/49/03/83/497490383.db2.gz LQYNYQIAXYXWOL-KRWDZBQOSA-N 2 2 373.522 3.177 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2N(C)C)C1 ZINC000190470236 497492995 /nfs/dbraw/zinc/49/29/95/497492995.db2.gz XHSBEZINGXQBAK-KRWDZBQOSA-N 2 2 358.555 3.471 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2N(C)C)C1 ZINC000190470236 497493000 /nfs/dbraw/zinc/49/30/00/497493000.db2.gz XHSBEZINGXQBAK-KRWDZBQOSA-N 2 2 358.555 3.471 10 0 FGAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2N(C)C)C1 ZINC000190470236 497493006 /nfs/dbraw/zinc/49/30/06/497493006.db2.gz XHSBEZINGXQBAK-KRWDZBQOSA-N 2 2 358.555 3.471 10 0 FGAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2N(C)C)C1 ZINC000190470236 497493012 /nfs/dbraw/zinc/49/30/12/497493012.db2.gz XHSBEZINGXQBAK-KRWDZBQOSA-N 2 2 358.555 3.471 10 0 FGAELP C[C@H]([NH2+]C1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CCCC1)c1ccccc1 ZINC000262036114 497497145 /nfs/dbraw/zinc/49/71/45/497497145.db2.gz XZKMECNCCXQLPO-UVUJQTEASA-N 3 2 371.569 3.397 10 0 FGAELP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1F ZINC000246203643 497659085 /nfs/dbraw/zinc/65/90/85/497659085.db2.gz XZRMMMVLTOXGNJ-CVEARBPZSA-N 2 2 356.445 3.290 10 0 FGAELP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1F ZINC000246203643 497659090 /nfs/dbraw/zinc/65/90/90/497659090.db2.gz XZRMMMVLTOXGNJ-CVEARBPZSA-N 2 2 356.445 3.290 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@@H](O)COc2cc(C)ccc2C)C1 ZINC000246906015 497819765 /nfs/dbraw/zinc/81/97/65/497819765.db2.gz AAGCQZHXARJGAF-RTBURBONSA-N 2 2 357.498 3.139 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@@H](O)COc2cc(C)ccc2C)C1 ZINC000246906015 497819766 /nfs/dbraw/zinc/81/97/66/497819766.db2.gz AAGCQZHXARJGAF-RTBURBONSA-N 2 2 357.498 3.139 10 0 FGAELP COc1ccccc1/C=C\C[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000486972332 502320544 /nfs/dbraw/zinc/32/05/44/502320544.db2.gz COKNMEFQEBNVKH-GOXLVPJVSA-N 2 2 354.498 3.115 10 0 FGAELP COc1ccccc1/C=C\C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000486972332 502320550 /nfs/dbraw/zinc/32/05/50/502320550.db2.gz COKNMEFQEBNVKH-GOXLVPJVSA-N 2 2 354.498 3.115 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCCN1Cn1c(Cc2cccs2)n[nH]c1=S ZINC000176074201 705570636 /nfs/dbraw/zinc/57/06/36/705570636.db2.gz MUZCTPGVZXSAET-AWEZNQCLSA-N 2 2 374.539 3.220 10 0 FGAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)c2ccc(I)cc2)C1 ZINC000040502822 494143399 /nfs/dbraw/zinc/14/33/99/494143399.db2.gz IMCQCUDQGWXTBO-SWLSCSKDSA-N 2 2 358.267 3.426 10 0 FGAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)c2ccc(I)cc2)C1 ZINC000040502822 494143403 /nfs/dbraw/zinc/14/34/03/494143403.db2.gz IMCQCUDQGWXTBO-SWLSCSKDSA-N 2 2 358.267 3.426 10 0 FGAELP CC(C)[NH+](CCNC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1)C(C)C ZINC000076470755 493899066 /nfs/dbraw/zinc/89/90/66/493899066.db2.gz OCWIHDIBHSLCBJ-QGZVFWFLSA-N 2 2 357.502 3.351 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)c2cc(C)n(CCOC)c2C)C1 ZINC000131503400 494641691 /nfs/dbraw/zinc/64/16/91/494641691.db2.gz PORSQKQOAIYLIW-SFHVURJKSA-N 2 2 372.513 3.030 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)c2cc(C)n(CCOC)c2C)C1 ZINC000131503400 494641693 /nfs/dbraw/zinc/64/16/93/494641693.db2.gz PORSQKQOAIYLIW-SFHVURJKSA-N 2 2 372.513 3.030 10 0 FGAELP C[C@@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccc(-n2cc[nH+]c2)c1 ZINC000075313994 494725892 /nfs/dbraw/zinc/72/58/92/494725892.db2.gz QQOANCCLGSWMGB-BPIHKTFHSA-N 2 2 367.497 3.248 10 0 FGAELP C[C@@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cccc(-n2cc[nH+]c2)c1 ZINC000075313994 494725896 /nfs/dbraw/zinc/72/58/96/494725896.db2.gz QQOANCCLGSWMGB-BPIHKTFHSA-N 2 2 367.497 3.248 10 0 FGAELP CCC[C@@H](C(=O)N1CCC(n2c(CC)[nH+]c3ccccc32)CC1)[NH+](C)C ZINC000093022207 494811921 /nfs/dbraw/zinc/81/19/21/494811921.db2.gz OZLMECIFBHCSDQ-IBGZPJMESA-N 2 2 356.514 3.493 10 0 FGAELP O=C(CC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)NCc1ccccc1Cl ZINC000103473681 495237509 /nfs/dbraw/zinc/23/75/09/495237509.db2.gz CIKIAQDAVCGQBZ-INIZCTEOSA-N 2 2 372.900 3.175 10 0 FGAELP O=C(CC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)NCc1ccccc1Cl ZINC000103473681 495237511 /nfs/dbraw/zinc/23/75/11/495237511.db2.gz CIKIAQDAVCGQBZ-INIZCTEOSA-N 2 2 372.900 3.175 10 0 FGAELP CCC[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)[NH+](C)C ZINC000124435974 495286611 /nfs/dbraw/zinc/28/66/11/495286611.db2.gz YPRSCOJZQYLXCG-BRWVUGGUSA-N 2 2 355.885 3.071 10 0 FGAELP CCC[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)[NH+](C)C ZINC000124435974 495286612 /nfs/dbraw/zinc/28/66/12/495286612.db2.gz YPRSCOJZQYLXCG-BRWVUGGUSA-N 2 2 355.885 3.071 10 0 FGAELP COc1ccc(Cl)cc1C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106129887 495417944 /nfs/dbraw/zinc/41/79/44/495417944.db2.gz WGFMNTGSILWPEH-UHFFFAOYSA-N 2 2 362.905 3.142 10 0 FGAELP COc1ccc(Cl)cc1C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106129887 495417948 /nfs/dbraw/zinc/41/79/48/495417948.db2.gz WGFMNTGSILWPEH-UHFFFAOYSA-N 2 2 362.905 3.142 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@H](O)COc2c(C)ccc(C)c2C)C1 ZINC000106212267 495432421 /nfs/dbraw/zinc/43/24/21/495432421.db2.gz HSKTVBJPWHBAHN-PMACEKPBSA-N 2 2 371.525 3.448 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@H](O)COc2c(C)ccc(C)c2C)C1 ZINC000106212267 495432423 /nfs/dbraw/zinc/43/24/23/495432423.db2.gz HSKTVBJPWHBAHN-PMACEKPBSA-N 2 2 371.525 3.448 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)C1 ZINC000106214750 495432534 /nfs/dbraw/zinc/43/25/34/495432534.db2.gz PFUHMZOYNYLHQD-KXBFYZLASA-N 2 2 368.481 3.312 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)C1 ZINC000106214750 495432536 /nfs/dbraw/zinc/43/25/36/495432536.db2.gz PFUHMZOYNYLHQD-KXBFYZLASA-N 2 2 368.481 3.312 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCC(=O)N2CCc3ccccc32)C1 ZINC000106214488 495432618 /nfs/dbraw/zinc/43/26/18/495432618.db2.gz ZNWZCKZATSGJJJ-GOSISDBHSA-N 2 2 352.482 3.062 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCC(=O)N2CCc3ccccc32)C1 ZINC000106214488 495432623 /nfs/dbraw/zinc/43/26/23/495432623.db2.gz ZNWZCKZATSGJJJ-GOSISDBHSA-N 2 2 352.482 3.062 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000106215952 495434096 /nfs/dbraw/zinc/43/40/96/495434096.db2.gz GDRUPFOEZDJETA-ICSRJNTNSA-N 2 2 352.482 3.102 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000106215952 495434098 /nfs/dbraw/zinc/43/40/98/495434098.db2.gz GDRUPFOEZDJETA-ICSRJNTNSA-N 2 2 352.482 3.102 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)Nc2cc(C(C)(C)C)no2)C1 ZINC000106215563 495435446 /nfs/dbraw/zinc/43/54/46/495435446.db2.gz LWGDYDIBMXCXNB-CQSZACIVSA-N 2 2 359.474 3.007 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(C(C)(C)C)no2)C1 ZINC000106215563 495435450 /nfs/dbraw/zinc/43/54/50/495435450.db2.gz LWGDYDIBMXCXNB-CQSZACIVSA-N 2 2 359.474 3.007 10 0 FGAELP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000106426129 495454558 /nfs/dbraw/zinc/45/45/58/495454558.db2.gz QPDHUMWRBKKFNC-UXHICEINSA-N 2 2 369.509 3.096 10 0 FGAELP C[C@@H]1CCC[N@@H+]1C1CCN(c2[nH+]cnc3c2cnn3-c2ccccc2)CC1 ZINC000154930597 495775548 /nfs/dbraw/zinc/77/55/48/495775548.db2.gz JUVXSSIDBKZVFA-MRXNPFEDSA-N 2 2 362.481 3.269 10 0 FGAELP C[C@@H]1CCC[N@H+]1C1CCN(c2[nH+]cnc3c2cnn3-c2ccccc2)CC1 ZINC000154930597 495775551 /nfs/dbraw/zinc/77/55/51/495775551.db2.gz JUVXSSIDBKZVFA-MRXNPFEDSA-N 2 2 362.481 3.269 10 0 FGAELP COc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1 ZINC000180132822 495873317 /nfs/dbraw/zinc/87/33/17/495873317.db2.gz HTMCTNNMZDYUCR-SFHVURJKSA-N 2 2 351.454 3.255 10 0 FGAELP COc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1 ZINC000180132822 495873319 /nfs/dbraw/zinc/87/33/19/495873319.db2.gz HTMCTNNMZDYUCR-SFHVURJKSA-N 2 2 351.454 3.255 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2csc(N(CC)C(C)=O)n2)C1 ZINC000171523575 495912439 /nfs/dbraw/zinc/91/24/39/495912439.db2.gz GCOPNZWZESKJQO-INIZCTEOSA-N 2 2 361.515 3.112 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2csc(N(CC)C(C)=O)n2)C1 ZINC000171523575 495912442 /nfs/dbraw/zinc/91/24/42/495912442.db2.gz GCOPNZWZESKJQO-INIZCTEOSA-N 2 2 361.515 3.112 10 0 FGAELP CSc1ccc(NC(=O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171644063 495962082 /nfs/dbraw/zinc/96/20/82/495962082.db2.gz ZEXMJAUDOBKIRV-HNNXBMFYSA-N 2 2 356.495 3.176 10 0 FGAELP CSc1ccc(NC(=O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171644063 495962086 /nfs/dbraw/zinc/96/20/86/495962086.db2.gz ZEXMJAUDOBKIRV-HNNXBMFYSA-N 2 2 356.495 3.176 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)Nc3ccc(F)cc3F)C2)[nH+]1 ZINC000171653318 495971968 /nfs/dbraw/zinc/97/19/68/495971968.db2.gz ZBLYPIFROBYMEF-CQSZACIVSA-N 2 2 360.408 3.041 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)Nc3ccc(F)cc3F)C2)[nH+]1 ZINC000171653318 495971970 /nfs/dbraw/zinc/97/19/70/495971970.db2.gz ZBLYPIFROBYMEF-CQSZACIVSA-N 2 2 360.408 3.041 10 0 FGAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2ccc3ccccc3n2)nc[nH+]1 ZINC000180569085 496048700 /nfs/dbraw/zinc/04/87/00/496048700.db2.gz LQQDVUAWGAKTGY-RDJZCZTQSA-N 2 2 362.481 3.386 10 0 FGAELP CC(C)n1nccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180649173 496085890 /nfs/dbraw/zinc/08/58/90/496085890.db2.gz SWQLUSVUYWYSCU-CVEARBPZSA-N 2 2 366.469 3.328 10 0 FGAELP C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1F)c1cccc(-n2cc[nH+]c2)c1 ZINC000180670142 496097084 /nfs/dbraw/zinc/09/70/84/496097084.db2.gz QNBSJMPAJGWZCF-CVEARBPZSA-N 2 2 366.440 3.367 10 0 FGAELP C[C@@H](NC(=O)C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)c1cccs1 ZINC000180671755 496097923 /nfs/dbraw/zinc/09/79/23/496097923.db2.gz XBJZVKOLLOYOPK-HUUCEWRRSA-N 2 2 354.479 3.462 10 0 FGAELP Cc1ccccc1[C@@H](C)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000173243036 496607433 /nfs/dbraw/zinc/60/74/33/496607433.db2.gz LDGRREODGZDTSD-LJQANCHMSA-N 2 2 372.557 3.306 10 0 FGAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](CCC[NH+]2CCCCC2)C1 ZINC000195254372 496862987 /nfs/dbraw/zinc/86/29/87/496862987.db2.gz ZBRXLQLPLARSPD-SFHVURJKSA-N 3 2 350.576 3.081 10 0 FGAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](CCC[NH+]2CCCCC2)C1 ZINC000195254372 496862989 /nfs/dbraw/zinc/86/29/89/496862989.db2.gz ZBRXLQLPLARSPD-SFHVURJKSA-N 3 2 350.576 3.081 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000195254372 496862991 /nfs/dbraw/zinc/86/29/91/496862991.db2.gz ZBRXLQLPLARSPD-SFHVURJKSA-N 3 2 350.576 3.081 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000195254372 496862994 /nfs/dbraw/zinc/86/29/94/496862994.db2.gz ZBRXLQLPLARSPD-SFHVURJKSA-N 3 2 350.576 3.081 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1noc(-c2ccc(F)cc2F)n1 ZINC000189068320 496997115 /nfs/dbraw/zinc/99/71/15/496997115.db2.gz RLFQNSPFYQGCPW-AWEZNQCLSA-N 2 2 359.380 3.184 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1noc(-c2ccc(F)cc2F)n1 ZINC000189068320 496997120 /nfs/dbraw/zinc/99/71/20/496997120.db2.gz RLFQNSPFYQGCPW-AWEZNQCLSA-N 2 2 359.380 3.184 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@H](O)COc1cc(C)ccc1Cl ZINC000248567850 497043479 /nfs/dbraw/zinc/04/34/79/497043479.db2.gz LGRODVRLPPQZEN-IRXDYDNUSA-N 2 2 363.889 3.058 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@H](O)COc1cc(C)ccc1Cl ZINC000248567850 497043482 /nfs/dbraw/zinc/04/34/82/497043482.db2.gz LGRODVRLPPQZEN-IRXDYDNUSA-N 2 2 363.889 3.058 10 0 FGAELP Cc1cc(N2CCC[C@H]([N@H+](C)CC(=O)OC(C)(C)C)CC2)nc(C2CC2)[nH+]1 ZINC000192269286 497057125 /nfs/dbraw/zinc/05/71/25/497057125.db2.gz UNZGGFSUWXKMAP-KRWDZBQOSA-N 2 2 374.529 3.295 10 0 FGAELP Cc1cc(N2CCC[C@H]([N@@H+](C)CC(=O)OC(C)(C)C)CC2)nc(C2CC2)[nH+]1 ZINC000192269286 497057127 /nfs/dbraw/zinc/05/71/27/497057127.db2.gz UNZGGFSUWXKMAP-KRWDZBQOSA-N 2 2 374.529 3.295 10 0 FGAELP COc1cc(Br)c(C[N@H+](C)[C@H]2CCC[NH2+]CC2)cc1OC ZINC000231453907 497109554 /nfs/dbraw/zinc/10/95/54/497109554.db2.gz DMXXOAWZFMJIJZ-ZDUSSCGKSA-N 2 2 357.292 3.040 10 0 FGAELP COc1cc(Br)c(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)cc1OC ZINC000231453907 497109557 /nfs/dbraw/zinc/10/95/57/497109557.db2.gz DMXXOAWZFMJIJZ-ZDUSSCGKSA-N 2 2 357.292 3.040 10 0 FGAELP CC[C@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccccc1OC ZINC000193555195 497412920 /nfs/dbraw/zinc/41/29/20/497412920.db2.gz SPEVTGQSQBEZQE-FPOVZHCZSA-N 2 2 354.494 3.155 10 0 FGAELP CC[C@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccccc1OC ZINC000193555195 497412928 /nfs/dbraw/zinc/41/29/28/497412928.db2.gz SPEVTGQSQBEZQE-FPOVZHCZSA-N 2 2 354.494 3.155 10 0 FGAELP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000245497317 497429414 /nfs/dbraw/zinc/42/94/14/497429414.db2.gz TYNDPBIRRCITTC-MSOLQXFVSA-N 2 2 369.513 3.307 10 0 FGAELP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000245497317 497429418 /nfs/dbraw/zinc/42/94/18/497429418.db2.gz TYNDPBIRRCITTC-MSOLQXFVSA-N 2 2 369.513 3.307 10 0 FGAELP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c(F)c1 ZINC000261861231 497464178 /nfs/dbraw/zinc/46/41/78/497464178.db2.gz WKICKBMDLVAVOZ-NXHRZFHOSA-N 2 2 355.457 3.135 10 0 FGAELP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c(F)c1 ZINC000261861231 497464182 /nfs/dbraw/zinc/46/41/82/497464182.db2.gz WKICKBMDLVAVOZ-NXHRZFHOSA-N 2 2 355.457 3.135 10 0 FGAELP Cn1cc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)c(C(C)(C)C)n1 ZINC000190472913 497493822 /nfs/dbraw/zinc/49/38/22/497493822.db2.gz WUHWSIZCCQCVCJ-GOSISDBHSA-N 2 2 355.530 3.067 10 0 FGAELP Cn1cc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)c(C(C)(C)C)n1 ZINC000190472913 497493829 /nfs/dbraw/zinc/49/38/29/497493829.db2.gz WUHWSIZCCQCVCJ-GOSISDBHSA-N 2 2 355.530 3.067 10 0 FGAELP Cn1cc(C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)c(C(C)(C)C)n1 ZINC000190472913 497493834 /nfs/dbraw/zinc/49/38/34/497493834.db2.gz WUHWSIZCCQCVCJ-GOSISDBHSA-N 2 2 355.530 3.067 10 0 FGAELP Cn1cc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)c(C(C)(C)C)n1 ZINC000190472913 497493841 /nfs/dbraw/zinc/49/38/41/497493841.db2.gz WUHWSIZCCQCVCJ-GOSISDBHSA-N 2 2 355.530 3.067 10 0 FGAELP C[C@@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246105828 497623688 /nfs/dbraw/zinc/62/36/88/497623688.db2.gz ISELZYACDTWXKQ-GJZGRUSLSA-N 2 2 358.873 3.496 10 0 FGAELP C[C@@H](C(=O)Nc1ccccc1Cl)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246105828 497623695 /nfs/dbraw/zinc/62/36/95/497623695.db2.gz ISELZYACDTWXKQ-GJZGRUSLSA-N 2 2 358.873 3.496 10 0 FGAELP Cc1cccc(C[NH+]2CCN(C(=O)C[NH2+][C@@H](C)c3cccs3)CC2)c1 ZINC000182176400 705828839 /nfs/dbraw/zinc/82/88/39/705828839.db2.gz DFGLOGYPLCQGEP-KRWDZBQOSA-N 2 2 357.523 3.052 10 0 FGAELP Clc1cc(Br)ccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000262029115 713717404 /nfs/dbraw/zinc/71/74/04/713717404.db2.gz XJIFJFLGLWCFCP-BMFZPTHFSA-N 2 2 373.722 3.349 10 0 FGAELP Clc1cc(Br)ccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000262029116 713717480 /nfs/dbraw/zinc/71/74/80/713717480.db2.gz XJIFJFLGLWCFCP-FVQBIDKESA-N 2 2 373.722 3.349 10 0 FGAELP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[NH+]1CCCCC1 ZINC000380410388 713976758 /nfs/dbraw/zinc/97/67/58/713976758.db2.gz ZDTXIXWZAZAOOL-OKZBNKHCSA-N 2 2 353.551 3.486 10 0 FGAELP CCc1ccc([C@@H](C)NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000051759664 493985555 /nfs/dbraw/zinc/98/55/55/493985555.db2.gz ZZRIIFIMSNHCJF-QGZVFWFLSA-N 2 2 372.557 3.168 10 0 FGAELP CC(C)[C@H](CNC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1)[NH+]1CCCC1 ZINC000074102502 494480898 /nfs/dbraw/zinc/48/08/98/494480898.db2.gz NLBUIIKPFOXELD-XLIONFOSSA-N 2 2 369.513 3.353 10 0 FGAELP CN(CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)c1[nH]c2ccccc2[nH+]1 ZINC000134951620 495230297 /nfs/dbraw/zinc/23/02/97/495230297.db2.gz XRRZKEIDBLHWIL-NRFANRHFSA-N 2 2 364.493 3.445 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N2CCCc3ccccc32)C1 ZINC000106217063 495434526 /nfs/dbraw/zinc/43/45/26/495434526.db2.gz RCTHZGUXYAETKE-PKOBYXMFSA-N 2 2 366.509 3.450 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N2CCCc3ccccc32)C1 ZINC000106217063 495434530 /nfs/dbraw/zinc/43/45/30/495434530.db2.gz RCTHZGUXYAETKE-PKOBYXMFSA-N 2 2 366.509 3.450 10 0 FGAELP C[C@@H]1CN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)C[C@@H]1[NH+]1CCOCC1 ZINC000125925663 495519428 /nfs/dbraw/zinc/51/94/28/495519428.db2.gz FAIFHJXRCGLCOJ-ACJLOTCBSA-N 2 2 365.399 3.411 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@H](O)COc2cccc3[nH]ccc32)C1 ZINC000158966059 495625811 /nfs/dbraw/zinc/62/58/11/495625811.db2.gz CPSBDGFERBTYFN-SJORKVTESA-N 2 2 368.481 3.004 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@H](O)COc2cccc3[nH]ccc32)C1 ZINC000158966059 495625815 /nfs/dbraw/zinc/62/58/15/495625815.db2.gz CPSBDGFERBTYFN-SJORKVTESA-N 2 2 368.481 3.004 10 0 FGAELP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000151304873 495799605 /nfs/dbraw/zinc/79/96/05/495799605.db2.gz JXPQQGLDFQMCIV-WMLDXEAASA-N 2 2 360.527 3.011 10 0 FGAELP CC(C)c1nnc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)n1C ZINC000171384356 495848591 /nfs/dbraw/zinc/84/85/91/495848591.db2.gz QBMQMGDLVBMOBH-UHFFFAOYSA-N 2 2 355.530 3.283 10 0 FGAELP CC(C)c1nnc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)n1C ZINC000171384356 495848595 /nfs/dbraw/zinc/84/85/95/495848595.db2.gz QBMQMGDLVBMOBH-UHFFFAOYSA-N 2 2 355.530 3.283 10 0 FGAELP CC(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171645037 495964454 /nfs/dbraw/zinc/96/44/54/495964454.db2.gz DPMVLGIRMQVYKT-HXUWFJFHSA-N 2 2 366.509 3.253 10 0 FGAELP CC(C)N(Cc1ccccc1)C(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171645037 495964461 /nfs/dbraw/zinc/96/44/61/495964461.db2.gz DPMVLGIRMQVYKT-HXUWFJFHSA-N 2 2 366.509 3.253 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3cc(F)ccc3F)C2)[nH+]1 ZINC000171650911 495969982 /nfs/dbraw/zinc/96/99/82/495969982.db2.gz JBSALAGBDHRRTP-GJZGRUSLSA-N 2 2 374.435 3.429 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@H+]([C@@H](C)C(=O)Nc3cc(F)ccc3F)C2)[nH+]1 ZINC000171650911 495969988 /nfs/dbraw/zinc/96/99/88/495969988.db2.gz JBSALAGBDHRRTP-GJZGRUSLSA-N 2 2 374.435 3.429 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3nc(-c4ccsc4)no3)C2)[nH+]1 ZINC000171651176 495970640 /nfs/dbraw/zinc/97/06/40/495970640.db2.gz AZSMRTHNJHYQPR-AWEZNQCLSA-N 2 2 355.467 3.436 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3nc(-c4ccsc4)no3)C2)[nH+]1 ZINC000171651176 495970642 /nfs/dbraw/zinc/97/06/42/495970642.db2.gz AZSMRTHNJHYQPR-AWEZNQCLSA-N 2 2 355.467 3.436 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3cccc(F)c3)C2)[nH+]1 ZINC000171651258 495970686 /nfs/dbraw/zinc/97/06/86/495970686.db2.gz YKOOESIAYINLIO-JKSUJKDBSA-N 2 2 356.445 3.290 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3cccc(F)c3)C2)[nH+]1 ZINC000171651258 495970688 /nfs/dbraw/zinc/97/06/88/495970688.db2.gz YKOOESIAYINLIO-JKSUJKDBSA-N 2 2 356.445 3.290 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)NCc3ccc(Cl)cc3)C2)[nH+]1 ZINC000171653446 495973381 /nfs/dbraw/zinc/97/33/81/495973381.db2.gz KJQNZJRVFKTCKF-KRWDZBQOSA-N 2 2 372.900 3.094 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)NCc3ccc(Cl)cc3)C2)[nH+]1 ZINC000171653446 495973387 /nfs/dbraw/zinc/97/33/87/495973387.db2.gz KJQNZJRVFKTCKF-KRWDZBQOSA-N 2 2 372.900 3.094 10 0 FGAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2ccc(F)cc2N(C)C)nc[nH+]1 ZINC000180571694 496049712 /nfs/dbraw/zinc/04/97/12/496049712.db2.gz VOWGYJKSGAQIBZ-HOCLYGCPSA-N 2 2 372.492 3.043 10 0 FGAELP CC(C)n1nccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180649157 496085828 /nfs/dbraw/zinc/08/58/28/496085828.db2.gz SWQLUSVUYWYSCU-HZPDHXFCSA-N 2 2 366.469 3.328 10 0 FGAELP COc1cccc(NC(=O)C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000180656790 496090232 /nfs/dbraw/zinc/09/02/32/496090232.db2.gz XCTXMFVIVBHYCK-HNNXBMFYSA-N 2 2 350.422 3.170 10 0 FGAELP COC(=O)c1ccc(Cl)c(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000181949970 496609376 /nfs/dbraw/zinc/60/93/76/496609376.db2.gz ILTXWZCSFIMZIL-AWEZNQCLSA-N 2 2 359.857 3.456 10 0 FGAELP COC(=O)c1ccc(Cl)c(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000181949970 496609381 /nfs/dbraw/zinc/60/93/81/496609381.db2.gz ILTXWZCSFIMZIL-AWEZNQCLSA-N 2 2 359.857 3.456 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)NCCc2ccccc2C)C1 ZINC000247547035 496886462 /nfs/dbraw/zinc/88/64/62/496886462.db2.gz DPFYIXJBIXVNNP-QUCCMNQESA-N 2 2 368.525 3.138 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)NCCc2ccccc2C)C1 ZINC000247547035 496886468 /nfs/dbraw/zinc/88/64/68/496886468.db2.gz DPFYIXJBIXVNNP-QUCCMNQESA-N 2 2 368.525 3.138 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N[C@H](C)c2ccccc2)C1 ZINC000247558501 496888468 /nfs/dbraw/zinc/88/84/68/496888468.db2.gz FRZMXTKZCXSXHU-ZHALLVOQSA-N 2 2 354.498 3.348 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)N[C@H](C)c2ccccc2)C1 ZINC000247558501 496888473 /nfs/dbraw/zinc/88/84/73/496888473.db2.gz FRZMXTKZCXSXHU-ZHALLVOQSA-N 2 2 354.498 3.348 10 0 FGAELP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)C12CCOCC2 ZINC000249019108 497150352 /nfs/dbraw/zinc/15/03/52/497150352.db2.gz QGBKLMDIUNZRBI-QHAWAJNXSA-N 2 2 358.526 3.215 10 0 FGAELP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)C12CCOCC2 ZINC000249019108 497150354 /nfs/dbraw/zinc/15/03/54/497150354.db2.gz QGBKLMDIUNZRBI-QHAWAJNXSA-N 2 2 358.526 3.215 10 0 FGAELP Cc1ccc(OC[C@H](O)C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000189912818 497291267 /nfs/dbraw/zinc/29/12/67/497291267.db2.gz DWESYAOXTLBGHD-YLJYHZDGSA-N 2 2 351.450 3.271 10 0 FGAELP Cc1cccc(C)c1-n1nnnc1C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189913568 497291439 /nfs/dbraw/zinc/29/14/39/497291439.db2.gz ZLKSWXABKRHXTQ-KRWDZBQOSA-N 2 2 373.464 3.316 10 0 FGAELP COC(=O)c1ccccc1OCC[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189919584 497293472 /nfs/dbraw/zinc/29/34/72/497293472.db2.gz ASVWNIIXIVAFQK-MRXNPFEDSA-N 2 2 365.433 3.389 10 0 FGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)CC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000253358892 497327303 /nfs/dbraw/zinc/32/73/03/497327303.db2.gz WHQWXENFBZKRQB-KGLIPLIRSA-N 2 2 357.420 3.496 10 0 FGAELP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)CC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000253358892 497327311 /nfs/dbraw/zinc/32/73/11/497327311.db2.gz WHQWXENFBZKRQB-KGLIPLIRSA-N 2 2 357.420 3.496 10 0 FGAELP C[N@H+](Cc1nccs1)[C@H]1CC12CC[NH+](Cc1cccc3[nH+]ccn31)CC2 ZINC000275826725 497441539 /nfs/dbraw/zinc/44/15/39/497441539.db2.gz VCARRPXMRSXBOB-KRWDZBQOSA-N 3 2 367.522 3.277 10 0 FGAELP C[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH+](Cc1cccc3[nH+]ccn31)CC2 ZINC000275826725 497441543 /nfs/dbraw/zinc/44/15/43/497441543.db2.gz VCARRPXMRSXBOB-KRWDZBQOSA-N 3 2 367.522 3.277 10 0 FGAELP C[N@H+](Cc1nccs1)[C@H]1CC12CC[NH+](Cc1cccc3nccn31)CC2 ZINC000275826725 497441549 /nfs/dbraw/zinc/44/15/49/497441549.db2.gz VCARRPXMRSXBOB-KRWDZBQOSA-N 2 2 367.522 3.277 10 0 FGAELP C[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH+](Cc1cccc3nccn31)CC2 ZINC000275826725 497441553 /nfs/dbraw/zinc/44/15/53/497441553.db2.gz VCARRPXMRSXBOB-KRWDZBQOSA-N 2 2 367.522 3.277 10 0 FGAELP C[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](Cc1cccc3[nH+]ccn31)CC2 ZINC000275826727 497441902 /nfs/dbraw/zinc/44/19/02/497441902.db2.gz VCARRPXMRSXBOB-QGZVFWFLSA-N 3 2 367.522 3.277 10 0 FGAELP C[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](Cc1cccc3[nH+]ccn31)CC2 ZINC000275826727 497441904 /nfs/dbraw/zinc/44/19/04/497441904.db2.gz VCARRPXMRSXBOB-QGZVFWFLSA-N 3 2 367.522 3.277 10 0 FGAELP C[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](Cc1cccc3nccn31)CC2 ZINC000275826727 497441911 /nfs/dbraw/zinc/44/19/11/497441911.db2.gz VCARRPXMRSXBOB-QGZVFWFLSA-N 2 2 367.522 3.277 10 0 FGAELP C[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](Cc1cccc3nccn31)CC2 ZINC000275826727 497441919 /nfs/dbraw/zinc/44/19/19/497441919.db2.gz VCARRPXMRSXBOB-QGZVFWFLSA-N 2 2 367.522 3.277 10 0 FGAELP COCCOc1cccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000190474768 497495242 /nfs/dbraw/zinc/49/52/42/497495242.db2.gz PSZOJHGRZQATBQ-OAQYLSRUSA-N 2 2 369.509 3.061 10 0 FGAELP COCCOc1cccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000190474768 497495244 /nfs/dbraw/zinc/49/52/44/497495244.db2.gz PSZOJHGRZQATBQ-OAQYLSRUSA-N 2 2 369.509 3.061 10 0 FGAELP COCCOc1cccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)c1 ZINC000190474768 497495252 /nfs/dbraw/zinc/49/52/52/497495252.db2.gz PSZOJHGRZQATBQ-OAQYLSRUSA-N 2 2 369.509 3.061 10 0 FGAELP COCCOc1cccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)c1 ZINC000190474768 497495256 /nfs/dbraw/zinc/49/52/56/497495256.db2.gz PSZOJHGRZQATBQ-OAQYLSRUSA-N 2 2 369.509 3.061 10 0 FGAELP Cc1cccn2cc(COc3ccc(C[N@H+]4C[C@@H](C)[C@H]([NH3+])C4)cc3)nc12 ZINC000262070089 497503459 /nfs/dbraw/zinc/50/34/59/497503459.db2.gz RZUWQCLKSIDYTH-OXQOHEQNSA-N 2 2 350.466 3.001 10 0 FGAELP Cc1cccn2cc(COc3ccc(C[N@@H+]4C[C@@H](C)[C@H]([NH3+])C4)cc3)nc12 ZINC000262070089 497503465 /nfs/dbraw/zinc/50/34/65/497503465.db2.gz RZUWQCLKSIDYTH-OXQOHEQNSA-N 2 2 350.466 3.001 10 0 FGAELP COc1ccc2c(c1)C[N@@H+](Cc1noc(C[NH3+])n1)[C@@H](C1CCCCC1)C2 ZINC000262288627 497535604 /nfs/dbraw/zinc/53/56/04/497535604.db2.gz VRDIVYAVKMMHOP-GOSISDBHSA-N 2 2 356.470 3.044 10 0 FGAELP COc1ccc2c(c1)C[N@H+](Cc1noc(C[NH3+])n1)[C@@H](C1CCCCC1)C2 ZINC000262288627 497535607 /nfs/dbraw/zinc/53/56/07/497535607.db2.gz VRDIVYAVKMMHOP-GOSISDBHSA-N 2 2 356.470 3.044 10 0 FGAELP [NH3+][C@H]1CC[C@H](C(=O)Nc2ccc3[nH]c(Cc4ccccc4F)[nH+]c3c2)C1 ZINC000262643207 497590169 /nfs/dbraw/zinc/59/01/69/497590169.db2.gz JJSWKXBQDOSOLP-KBPBESRZSA-N 2 2 352.413 3.359 10 0 FGAELP CCC[C@H](NC(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)c1ccccc1 ZINC000246061140 497608859 /nfs/dbraw/zinc/60/88/59/497608859.db2.gz AINIZPIBSCJGNJ-ICSRJNTNSA-N 2 2 366.509 3.473 10 0 FGAELP CCC[C@H](NC(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)c1ccccc1 ZINC000246061140 497608866 /nfs/dbraw/zinc/60/88/66/497608866.db2.gz AINIZPIBSCJGNJ-ICSRJNTNSA-N 2 2 366.509 3.473 10 0 FGAELP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246130284 497631305 /nfs/dbraw/zinc/63/13/05/497631305.db2.gz MIQAUOZSIXDDRK-GJZGRUSLSA-N 2 2 358.873 3.496 10 0 FGAELP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246130284 497631309 /nfs/dbraw/zinc/63/13/09/497631309.db2.gz MIQAUOZSIXDDRK-GJZGRUSLSA-N 2 2 358.873 3.496 10 0 FGAELP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246206419 497660934 /nfs/dbraw/zinc/66/09/34/497660934.db2.gz YNLDMRRGJDFZQQ-MSOLQXFVSA-N 2 2 352.482 3.459 10 0 FGAELP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246206419 497660935 /nfs/dbraw/zinc/66/09/35/497660935.db2.gz YNLDMRRGJDFZQQ-MSOLQXFVSA-N 2 2 352.482 3.459 10 0 FGAELP C[C@@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1cc(Cl)ccc1O ZINC000184991823 712680845 /nfs/dbraw/zinc/68/08/45/712680845.db2.gz LBIYBMUBMMGNPI-KDOFPFPSSA-N 2 2 360.885 3.115 10 0 FGAELP C[C@@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1cc(Cl)ccc1O ZINC000184991823 712680848 /nfs/dbraw/zinc/68/08/48/712680848.db2.gz LBIYBMUBMMGNPI-KDOFPFPSSA-N 2 2 360.885 3.115 10 0 FGAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](Cc2cccc3c2NCC3)C1 ZINC000261755411 713713821 /nfs/dbraw/zinc/71/38/21/713713821.db2.gz CLPITHCROSRJKR-MRXNPFEDSA-N 2 2 356.539 3.373 10 0 FGAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc3c2NCC3)C1 ZINC000261755411 713713822 /nfs/dbraw/zinc/71/38/22/713713822.db2.gz CLPITHCROSRJKR-MRXNPFEDSA-N 2 2 356.539 3.373 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](Cc2cccc3c2NCC3)C1 ZINC000261755411 713713823 /nfs/dbraw/zinc/71/38/23/713713823.db2.gz CLPITHCROSRJKR-MRXNPFEDSA-N 2 2 356.539 3.373 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc3c2NCC3)C1 ZINC000261755411 713713824 /nfs/dbraw/zinc/71/38/24/713713824.db2.gz CLPITHCROSRJKR-MRXNPFEDSA-N 2 2 356.539 3.373 10 0 FGAELP Cc1[nH+]ccn1-c1ccc([C@H](C)[N@@H+]2CCC[C@]3(CCS(=O)(=O)C3)C2)cc1 ZINC000333380777 257386540 /nfs/dbraw/zinc/38/65/40/257386540.db2.gz BDJLEPQCDWJFSZ-JXFKEZNVSA-N 2 2 373.522 3.142 10 0 FGAELP Cc1[nH+]ccn1-c1ccc([C@H](C)[N@H+]2CCC[C@]3(CCS(=O)(=O)C3)C2)cc1 ZINC000333380777 257386542 /nfs/dbraw/zinc/38/65/42/257386542.db2.gz BDJLEPQCDWJFSZ-JXFKEZNVSA-N 2 2 373.522 3.142 10 0 FGAELP C[C@H](CNC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1)[NH+]1CCC(C)CC1 ZINC000073897949 494444249 /nfs/dbraw/zinc/44/42/49/494444249.db2.gz RLQXHCNXUDOVJU-MSOLQXFVSA-N 2 2 369.513 3.353 10 0 FGAELP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(Br)cc1F ZINC000126141813 494651160 /nfs/dbraw/zinc/65/11/60/494651160.db2.gz LZWDRZFWQNMAPN-GXTWGEPZSA-N 2 2 359.283 3.086 10 0 FGAELP Cc1[nH+]ccn1CCCN(C)C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000121775261 494857577 /nfs/dbraw/zinc/85/75/77/494857577.db2.gz MTSZNLIALDHJBR-MRXNPFEDSA-N 2 2 366.469 3.170 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000127357404 494932905 /nfs/dbraw/zinc/93/29/05/494932905.db2.gz JEDLXWSOHZIDSM-FPOVZHCZSA-N 2 2 355.482 3.414 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000127357404 494932908 /nfs/dbraw/zinc/93/29/08/494932908.db2.gz JEDLXWSOHZIDSM-FPOVZHCZSA-N 2 2 355.482 3.414 10 0 FGAELP Fc1ccc(-c2noc(C[N@@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)n2)cc1F ZINC000135168161 495258389 /nfs/dbraw/zinc/25/83/89/495258389.db2.gz VOEZQVIXUONGJO-ZDUSSCGKSA-N 2 2 371.391 3.344 10 0 FGAELP Fc1ccc(-c2noc(C[N@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)n2)cc1F ZINC000135168161 495258391 /nfs/dbraw/zinc/25/83/91/495258391.db2.gz VOEZQVIXUONGJO-ZDUSSCGKSA-N 2 2 371.391 3.344 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(C(C)=O)cc2)C1 ZINC000106214373 495433412 /nfs/dbraw/zinc/43/34/12/495433412.db2.gz YDQCDEKQRXKQPF-LJQANCHMSA-N 2 2 368.481 3.314 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C(C)=O)cc2)C1 ZINC000106214373 495433414 /nfs/dbraw/zinc/43/34/14/495433414.db2.gz YDQCDEKQRXKQPF-LJQANCHMSA-N 2 2 368.481 3.314 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N(CC)Cc2cccc(F)c2)C1 ZINC000106215854 495434144 /nfs/dbraw/zinc/43/41/44/495434144.db2.gz QONXDFGWUMPWSB-LJQANCHMSA-N 2 2 372.488 3.270 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N(CC)Cc2cccc(F)c2)C1 ZINC000106215854 495434149 /nfs/dbraw/zinc/43/41/49/495434149.db2.gz QONXDFGWUMPWSB-LJQANCHMSA-N 2 2 372.488 3.270 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(OC)cc2)C1 ZINC000106215115 495434870 /nfs/dbraw/zinc/43/48/70/495434870.db2.gz GYGMVOCZGPNOIY-RDJZCZTQSA-N 2 2 356.470 3.118 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(OC)cc2)C1 ZINC000106215115 495434871 /nfs/dbraw/zinc/43/48/71/495434871.db2.gz GYGMVOCZGPNOIY-RDJZCZTQSA-N 2 2 356.470 3.118 10 0 FGAELP C[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173458383 495538774 /nfs/dbraw/zinc/53/87/74/495538774.db2.gz ZPNAOKPIZGJJKY-XYJFISCASA-N 2 2 355.486 3.057 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1nc2ccccc2s1 ZINC000154562177 495655573 /nfs/dbraw/zinc/65/55/73/495655573.db2.gz SNXYAQXBHYMIPN-DZGCQCFKSA-N 2 2 369.494 3.293 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1nc2ccccc2s1 ZINC000154562177 495655576 /nfs/dbraw/zinc/65/55/76/495655576.db2.gz SNXYAQXBHYMIPN-DZGCQCFKSA-N 2 2 369.494 3.293 10 0 FGAELP Cc1sc(NC(=O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c(C)c1C ZINC000173779446 495688818 /nfs/dbraw/zinc/68/88/18/495688818.db2.gz JTTNUXRNRAPWGE-INIZCTEOSA-N 2 2 358.511 3.441 10 0 FGAELP Cc1sc(NC(=O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c(C)c1C ZINC000173779446 495688825 /nfs/dbraw/zinc/68/88/25/495688825.db2.gz JTTNUXRNRAPWGE-INIZCTEOSA-N 2 2 358.511 3.441 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3nccn3CC(F)(F)F)C2)[nH+]1 ZINC000171382883 495847167 /nfs/dbraw/zinc/84/71/67/495847167.db2.gz YODHNZPQWMKYIF-AWEZNQCLSA-N 2 2 353.392 3.083 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3nccn3CC(F)(F)F)C2)[nH+]1 ZINC000171382883 495847170 /nfs/dbraw/zinc/84/71/70/495847170.db2.gz YODHNZPQWMKYIF-AWEZNQCLSA-N 2 2 353.392 3.083 10 0 FGAELP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)C12CCOCC2 ZINC000186240812 495909618 /nfs/dbraw/zinc/90/96/18/495909618.db2.gz BWZVGHUTWSCXPJ-QHAWAJNXSA-N 2 2 358.526 3.215 10 0 FGAELP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C12CCOCC2 ZINC000186240812 495909623 /nfs/dbraw/zinc/90/96/23/495909623.db2.gz BWZVGHUTWSCXPJ-QHAWAJNXSA-N 2 2 358.526 3.215 10 0 FGAELP C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171644203 495962508 /nfs/dbraw/zinc/96/25/08/495962508.db2.gz NYJNLMUDLOFYEC-UONOGXRCSA-N 2 2 360.408 3.121 10 0 FGAELP C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171644203 495962510 /nfs/dbraw/zinc/96/25/10/495962510.db2.gz NYJNLMUDLOFYEC-UONOGXRCSA-N 2 2 360.408 3.121 10 0 FGAELP C[C@@H](C(=O)NCCC1=CCCCC1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171644926 495964742 /nfs/dbraw/zinc/96/47/42/495964742.db2.gz RAXSUIVTFMGVTF-PKOBYXMFSA-N 2 2 356.514 3.211 10 0 FGAELP C[C@@H](C(=O)NCCC1=CCCCC1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171644926 495964744 /nfs/dbraw/zinc/96/47/44/495964744.db2.gz RAXSUIVTFMGVTF-PKOBYXMFSA-N 2 2 356.514 3.211 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@H+](Cc3nc(Cc4ccccc4)no3)C2)[nH+]1 ZINC000171649400 495968973 /nfs/dbraw/zinc/96/89/73/495968973.db2.gz DXLYWFIRSRQRTP-GOSISDBHSA-N 2 2 363.465 3.298 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3nc(Cc4ccccc4)no3)C2)[nH+]1 ZINC000171649400 495968977 /nfs/dbraw/zinc/96/89/77/495968977.db2.gz DXLYWFIRSRQRTP-GOSISDBHSA-N 2 2 363.465 3.298 10 0 FGAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2csc(C(C)C)n2)nc[nH+]1 ZINC000186398925 495982495 /nfs/dbraw/zinc/98/24/95/495982495.db2.gz CHHGWXMJBSVIBJ-KBPBESRZSA-N 2 2 360.531 3.418 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)Nc1nc(-c2ccco2)cs1 ZINC000152009906 496020831 /nfs/dbraw/zinc/02/08/31/496020831.db2.gz SDTATDOJRXHPHS-CQSZACIVSA-N 2 2 371.466 3.011 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)Nc1nc(-c2ccco2)cs1 ZINC000152009906 496020835 /nfs/dbraw/zinc/02/08/35/496020835.db2.gz SDTATDOJRXHPHS-CQSZACIVSA-N 2 2 371.466 3.011 10 0 FGAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2cc(F)c(F)c(F)c2)nc[nH+]1 ZINC000180575031 496050857 /nfs/dbraw/zinc/05/08/57/496050857.db2.gz QIXKVNSZDVIRKC-AAEUAGOBSA-N 2 2 365.403 3.255 10 0 FGAELP CC(C)[NH+]1CCC(NC(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000174687643 496062171 /nfs/dbraw/zinc/06/21/71/496062171.db2.gz UYIXUNFGNKFHLJ-MRXNPFEDSA-N 2 2 355.486 3.105 10 0 FGAELP COc1cccc(NC(=O)C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000180656811 496089898 /nfs/dbraw/zinc/08/98/98/496089898.db2.gz XCTXMFVIVBHYCK-OAHLLOKOSA-N 2 2 350.422 3.170 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCC(=O)NCc1ccccc1Cl ZINC000178323087 496412396 /nfs/dbraw/zinc/41/23/96/496412396.db2.gz XJBUQKLTDDKWII-KRWDZBQOSA-N 2 2 360.889 3.016 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCC(=O)NCc1ccccc1Cl ZINC000178323087 496412401 /nfs/dbraw/zinc/41/24/01/496412401.db2.gz XJBUQKLTDDKWII-KRWDZBQOSA-N 2 2 360.889 3.016 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000178325358 496413806 /nfs/dbraw/zinc/41/38/06/496413806.db2.gz AJPBGJDDHIRHIU-MAUKXSAKSA-N 2 2 351.454 3.391 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000178325358 496413812 /nfs/dbraw/zinc/41/38/12/496413812.db2.gz AJPBGJDDHIRHIU-MAUKXSAKSA-N 2 2 351.454 3.391 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@H](O)COc2ccccc2Cl)C1 ZINC000178613228 496516247 /nfs/dbraw/zinc/51/62/47/496516247.db2.gz BSDRGHOTZRVRAY-HOTGVXAUSA-N 2 2 363.889 3.176 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2Cl)C1 ZINC000178613228 496516252 /nfs/dbraw/zinc/51/62/52/496516252.db2.gz BSDRGHOTZRVRAY-HOTGVXAUSA-N 2 2 363.889 3.176 10 0 FGAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)c2ccccc2F)C1 ZINC000195255686 496862961 /nfs/dbraw/zinc/86/29/61/496862961.db2.gz DRDGQBUKVAGCHU-YJBOKZPZSA-N 2 2 363.502 3.078 10 0 FGAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)c2ccccc2F)C1 ZINC000195255686 496862963 /nfs/dbraw/zinc/86/29/63/496862963.db2.gz DRDGQBUKVAGCHU-YJBOKZPZSA-N 2 2 363.502 3.078 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)c2ccccc2F)C1 ZINC000195255686 496862966 /nfs/dbraw/zinc/86/29/66/496862966.db2.gz DRDGQBUKVAGCHU-YJBOKZPZSA-N 2 2 363.502 3.078 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)c2ccccc2F)C1 ZINC000195255686 496862967 /nfs/dbraw/zinc/86/29/67/496862967.db2.gz DRDGQBUKVAGCHU-YJBOKZPZSA-N 2 2 363.502 3.078 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](CCN(C)c2ccccc2)C1 ZINC000195257996 496865148 /nfs/dbraw/zinc/86/51/48/496865148.db2.gz QQGMTTDIXJHJTE-GOSISDBHSA-N 2 2 358.555 3.342 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](CCN(C)c2ccccc2)C1 ZINC000195257996 496865152 /nfs/dbraw/zinc/86/51/52/496865152.db2.gz QQGMTTDIXJHJTE-GOSISDBHSA-N 2 2 358.555 3.342 10 0 FGAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](CCN(C)c2ccccc2)C1 ZINC000195257996 496865154 /nfs/dbraw/zinc/86/51/54/496865154.db2.gz QQGMTTDIXJHJTE-GOSISDBHSA-N 2 2 358.555 3.342 10 0 FGAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](CCN(C)c2ccccc2)C1 ZINC000195257996 496865157 /nfs/dbraw/zinc/86/51/57/496865157.db2.gz QQGMTTDIXJHJTE-GOSISDBHSA-N 2 2 358.555 3.342 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N2c3ccccc3CC[C@H]2C)C1 ZINC000247558860 496888268 /nfs/dbraw/zinc/88/82/68/496888268.db2.gz FTVUNMSILCXKRS-IEBWSBKVSA-N 2 2 366.509 3.450 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N2c3ccccc3CC[C@H]2C)C1 ZINC000247558860 496888275 /nfs/dbraw/zinc/88/82/75/496888275.db2.gz FTVUNMSILCXKRS-IEBWSBKVSA-N 2 2 366.509 3.450 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)N2c3ccccc3C[C@H]2C)C1 ZINC000247735219 496910782 /nfs/dbraw/zinc/91/07/82/496910782.db2.gz MQYUYSWRHGQJGL-AEFFLSMTSA-N 2 2 352.482 3.060 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)N2c3ccccc3C[C@H]2C)C1 ZINC000247735219 496910785 /nfs/dbraw/zinc/91/07/85/496910785.db2.gz MQYUYSWRHGQJGL-AEFFLSMTSA-N 2 2 352.482 3.060 10 0 FGAELP CNc1cc(N2CCC[C@@H]2C[NH2+]CC2(CCOC)CCCCC2)nc[nH+]1 ZINC000189163582 497030500 /nfs/dbraw/zinc/03/05/00/497030500.db2.gz OEMUZAXIZAHHAA-QGZVFWFLSA-N 2 2 361.534 3.064 10 0 FGAELP Fc1ccc(-n2ccc(C[N@@H+]3CC[C@H](CNc4cccc[nH+]4)C3)n2)c(F)c1 ZINC000190242371 497411752 /nfs/dbraw/zinc/41/17/52/497411752.db2.gz SJUWMLHYQFAINK-OAHLLOKOSA-N 2 2 369.419 3.480 10 0 FGAELP Fc1ccc(-n2ccc(C[N@H+]3CC[C@H](CNc4cccc[nH+]4)C3)n2)c(F)c1 ZINC000190242371 497411758 /nfs/dbraw/zinc/41/17/58/497411758.db2.gz SJUWMLHYQFAINK-OAHLLOKOSA-N 2 2 369.419 3.480 10 0 FGAELP Cc1cc(C)c(NC(=O)C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c(C)c1 ZINC000261686360 497433126 /nfs/dbraw/zinc/43/31/26/497433126.db2.gz IRJTXPFXWHYWHX-UXHICEINSA-N 2 2 351.494 3.225 10 0 FGAELP Cc1cc(C)c(NC(=O)C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c(C)c1 ZINC000261686360 497433130 /nfs/dbraw/zinc/43/31/30/497433130.db2.gz IRJTXPFXWHYWHX-UXHICEINSA-N 2 2 351.494 3.225 10 0 FGAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cc[nH+]cc2C)C1 ZINC000190509254 497509610 /nfs/dbraw/zinc/50/96/10/497509610.db2.gz MUIQCXPYPQZFGO-HNNXBMFYSA-N 2 2 359.499 3.141 10 0 FGAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cc[nH+]cc2C)C1 ZINC000190509254 497509613 /nfs/dbraw/zinc/50/96/13/497509613.db2.gz MUIQCXPYPQZFGO-HNNXBMFYSA-N 2 2 359.499 3.141 10 0 FGAELP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c(C)c1 ZINC000246194762 497655575 /nfs/dbraw/zinc/65/55/75/497655575.db2.gz WUFTWGKQUKCVRB-ROUUACIJSA-N 2 2 352.482 3.459 10 0 FGAELP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c(C)c1 ZINC000246194762 497655578 /nfs/dbraw/zinc/65/55/78/497655578.db2.gz WUFTWGKQUKCVRB-ROUUACIJSA-N 2 2 352.482 3.459 10 0 FGAELP CCN(C(=O)[C@H](C)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)c1ccccc1 ZINC000246203303 497658775 /nfs/dbraw/zinc/65/87/75/497658775.db2.gz XVEBWPKYEKKMFM-ROUUACIJSA-N 2 2 352.482 3.257 10 0 FGAELP CCN(C(=O)[C@H](C)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)c1ccccc1 ZINC000246203303 497658778 /nfs/dbraw/zinc/65/87/78/497658778.db2.gz XVEBWPKYEKKMFM-ROUUACIJSA-N 2 2 352.482 3.257 10 0 FGAELP Cc1c([C@@H](C)[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)cnn1C(C)(C)C ZINC000191164230 497730841 /nfs/dbraw/zinc/73/08/41/497730841.db2.gz PQXVPDMULGYKCW-UZLBHIALSA-N 2 2 370.541 3.016 10 0 FGAELP Cc1c([C@@H](C)[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)cnn1C(C)(C)C ZINC000191164230 497730845 /nfs/dbraw/zinc/73/08/45/497730845.db2.gz PQXVPDMULGYKCW-UZLBHIALSA-N 2 2 370.541 3.016 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@@H](O)c1ccccc1C(F)(F)F ZINC000246892505 497819019 /nfs/dbraw/zinc/81/90/19/497819019.db2.gz FHIPOKXDDFGWSZ-RHSMWYFYSA-N 2 2 353.388 3.408 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@@H](O)c1ccccc1C(F)(F)F ZINC000246892505 497819020 /nfs/dbraw/zinc/81/90/20/497819020.db2.gz FHIPOKXDDFGWSZ-RHSMWYFYSA-N 2 2 353.388 3.408 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000246927513 497820802 /nfs/dbraw/zinc/82/08/02/497820802.db2.gz GVRHBWUEHXRAQR-VQTJNVASSA-N 2 2 371.525 3.393 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000246927513 497820803 /nfs/dbraw/zinc/82/08/03/497820803.db2.gz GVRHBWUEHXRAQR-VQTJNVASSA-N 2 2 371.525 3.393 10 0 FGAELP C[C@H]1CCCN(c2cc(NCC3CCN(c4cc[nH+]cc4)CC3)[nH+]cn2)C1 ZINC000301947747 498340553 /nfs/dbraw/zinc/34/05/53/498340553.db2.gz AQJBTQQBVPFWRA-KRWDZBQOSA-N 2 2 366.513 3.436 10 0 FGAELP C[C@H]1CCCN(c2cc(NCC3CCN(c4cc[nH+]cc4)CC3)nc[nH+]2)C1 ZINC000301947747 498340561 /nfs/dbraw/zinc/34/05/61/498340561.db2.gz AQJBTQQBVPFWRA-KRWDZBQOSA-N 2 2 366.513 3.436 10 0 FGAELP Cc1cc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc(C)c1O ZINC000390657375 499555135 /nfs/dbraw/zinc/55/51/35/499555135.db2.gz KZNUKZDUHFJQMH-NRFANRHFSA-N 2 2 354.494 3.390 10 0 FGAELP Cc1cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc(C)c1O ZINC000390657375 499555136 /nfs/dbraw/zinc/55/51/36/499555136.db2.gz KZNUKZDUHFJQMH-NRFANRHFSA-N 2 2 354.494 3.390 10 0 FGAELP Cn1c[nH+]cc1[C@H]1[C@H](C[N@H+](C)Cc2cccc3cc[nH]c32)CCCN1C ZINC000583619068 506880776 /nfs/dbraw/zinc/88/07/76/506880776.db2.gz MGVQXVXIZBIURS-GHTZIAJQSA-N 2 2 351.498 3.416 10 0 FGAELP Cn1c[nH+]cc1[C@H]1[C@H](C[N@@H+](C)Cc2cccc3cc[nH]c32)CCCN1C ZINC000583619068 506880778 /nfs/dbraw/zinc/88/07/78/506880778.db2.gz MGVQXVXIZBIURS-GHTZIAJQSA-N 2 2 351.498 3.416 10 0 FGAELP Cn1cncc1[C@H]1[C@H](C[N@H+](C)Cc2cccc3cc[nH]c32)CCC[NH+]1C ZINC000583619068 506880786 /nfs/dbraw/zinc/88/07/86/506880786.db2.gz MGVQXVXIZBIURS-GHTZIAJQSA-N 2 2 351.498 3.416 10 0 FGAELP Cn1cncc1[C@H]1[C@H](C[N@@H+](C)Cc2cccc3cc[nH]c32)CCC[NH+]1C ZINC000583619068 506880790 /nfs/dbraw/zinc/88/07/90/506880790.db2.gz MGVQXVXIZBIURS-GHTZIAJQSA-N 2 2 351.498 3.416 10 0 FGAELP Cn1cncc1[C@H]1[C@H](C[NH+](C)Cc2cccc3cc[nH]c32)CCC[N@@H+]1C ZINC000583619068 506880793 /nfs/dbraw/zinc/88/07/93/506880793.db2.gz MGVQXVXIZBIURS-GHTZIAJQSA-N 2 2 351.498 3.416 10 0 FGAELP Cn1cncc1[C@H]1[C@H](C[NH+](C)Cc2cccc3cc[nH]c32)CCC[N@H+]1C ZINC000583619068 506880797 /nfs/dbraw/zinc/88/07/97/506880797.db2.gz MGVQXVXIZBIURS-GHTZIAJQSA-N 2 2 351.498 3.416 10 0 FGAELP COc1cc(Br)ccc1C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000188401807 712769117 /nfs/dbraw/zinc/76/91/17/712769117.db2.gz BTZBUHGBTNUAQX-HNNXBMFYSA-N 2 2 350.260 3.319 10 0 FGAELP COc1cc(Br)ccc1C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000188401807 712769119 /nfs/dbraw/zinc/76/91/19/712769119.db2.gz BTZBUHGBTNUAQX-HNNXBMFYSA-N 2 2 350.260 3.319 10 0 FGAELP Brc1cc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc2c1OCO2 ZINC000188402121 712769193 /nfs/dbraw/zinc/76/91/93/712769193.db2.gz CLJIBNYIGDUWBB-CYBMUJFWSA-N 2 2 364.243 3.039 10 0 FGAELP Brc1cc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc2c1OCO2 ZINC000188402121 712769196 /nfs/dbraw/zinc/76/91/96/712769196.db2.gz CLJIBNYIGDUWBB-CYBMUJFWSA-N 2 2 364.243 3.039 10 0 FGAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC000246184393 713619219 /nfs/dbraw/zinc/61/92/19/713619219.db2.gz HIBIWOURWQBWMB-QCLGFWRNSA-N 2 2 351.535 3.235 10 0 FGAELP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC000246184393 713619222 /nfs/dbraw/zinc/61/92/22/713619222.db2.gz HIBIWOURWQBWMB-QCLGFWRNSA-N 2 2 351.535 3.235 10 0 FGAELP CC(C)c1nc(C[N@@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C)c3)C2)cs1 ZINC000886059703 739213547 /nfs/dbraw/zinc/21/35/47/739213547.db2.gz UQPPUWVSBSKUGY-GOSISDBHSA-N 2 2 360.527 3.376 10 0 FGAELP CC(C)c1nc(C[N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C)c3)C2)cs1 ZINC000886059703 739213549 /nfs/dbraw/zinc/21/35/49/739213549.db2.gz UQPPUWVSBSKUGY-GOSISDBHSA-N 2 2 360.527 3.376 10 0 FGAELP COCC[N@@H+]1CCC[C@]2(CC[NH+](Cc3cc4c(cc3Cl)OCO4)C2)C1 ZINC000012708888 220019428 /nfs/dbraw/zinc/01/94/28/220019428.db2.gz GYYYVSXPYBBSAA-IBGZPJMESA-N 2 2 366.889 3.003 10 0 FGAELP COCC[N@H+]1CCC[C@]2(CC[NH+](Cc3cc4c(cc3Cl)OCO4)C2)C1 ZINC000012708888 220019430 /nfs/dbraw/zinc/01/94/30/220019430.db2.gz GYYYVSXPYBBSAA-IBGZPJMESA-N 2 2 366.889 3.003 10 0 FGAELP COCC[NH+]1CCC[C@]2(CC[N@H+](Cc3cc4c(cc3Cl)OCO4)C2)C1 ZINC000012708888 220019434 /nfs/dbraw/zinc/01/94/34/220019434.db2.gz GYYYVSXPYBBSAA-IBGZPJMESA-N 2 2 366.889 3.003 10 0 FGAELP COCC[NH+]1CCC[C@]2(CC[N@@H+](Cc3cc4c(cc3Cl)OCO4)C2)C1 ZINC000012708888 220019439 /nfs/dbraw/zinc/01/94/39/220019439.db2.gz GYYYVSXPYBBSAA-IBGZPJMESA-N 2 2 366.889 3.003 10 0 FGAELP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000076471217 493899531 /nfs/dbraw/zinc/89/95/31/493899531.db2.gz KJVHUSCXFULXKY-VQIMIIECSA-N 2 2 355.486 3.059 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC000109284830 494854749 /nfs/dbraw/zinc/85/47/49/494854749.db2.gz LIWRXQDKKIVXRH-AZUAARDMSA-N 2 2 354.498 3.302 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC000109284830 494854750 /nfs/dbraw/zinc/85/47/50/494854750.db2.gz LIWRXQDKKIVXRH-AZUAARDMSA-N 2 2 354.498 3.302 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3ccccc3F)C2=O)C1 ZINC000112345731 495178235 /nfs/dbraw/zinc/17/82/35/495178235.db2.gz LDRAHQJBIWCAJU-CRAIPNDOSA-N 2 2 356.445 3.027 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H]2CCN(c3ccccc3F)C2=O)C1 ZINC000112345731 495178237 /nfs/dbraw/zinc/17/82/37/495178237.db2.gz LDRAHQJBIWCAJU-CRAIPNDOSA-N 2 2 356.445 3.027 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)Nc1nc2ccc(C)cc2s1 ZINC000154543749 495649419 /nfs/dbraw/zinc/64/94/19/495649419.db2.gz KTULSAKKCZACIR-OAHLLOKOSA-N 2 2 369.494 3.213 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)Nc1nc2ccc(C)cc2s1 ZINC000154543749 495649427 /nfs/dbraw/zinc/64/94/27/495649427.db2.gz KTULSAKKCZACIR-OAHLLOKOSA-N 2 2 369.494 3.213 10 0 FGAELP C[C@H](NC(=O)NCCCNc1cccc[nH+]1)c1cccc(-n2cc[nH+]c2)c1 ZINC000176885069 495826952 /nfs/dbraw/zinc/82/69/52/495826952.db2.gz DRYTYEORFWPHDJ-INIZCTEOSA-N 2 2 364.453 3.130 10 0 FGAELP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](c2cccs2)[NH+]2CCCC2)C12CCOCC2 ZINC000186197628 495892899 /nfs/dbraw/zinc/89/28/99/495892899.db2.gz JVXPTLSPGYXBHX-QXAKKESOSA-N 2 2 364.555 3.449 10 0 FGAELP Cc1ccc(C)c(OC[C@@H](O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1C ZINC000171640685 495961231 /nfs/dbraw/zinc/96/12/31/495961231.db2.gz BVUUOSPPTZEYLT-UXHICEINSA-N 2 2 369.509 3.181 10 0 FGAELP Cc1ccc(C)c(OC[C@@H](O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1C ZINC000171640685 495961234 /nfs/dbraw/zinc/96/12/34/495961234.db2.gz BVUUOSPPTZEYLT-UXHICEINSA-N 2 2 369.509 3.181 10 0 FGAELP Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000171642950 495962197 /nfs/dbraw/zinc/96/21/97/495962197.db2.gz KQWARINPPCTRPU-ZWKOTPCHSA-N 2 2 352.482 3.459 10 0 FGAELP Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000171642950 495962201 /nfs/dbraw/zinc/96/22/01/495962201.db2.gz KQWARINPPCTRPU-ZWKOTPCHSA-N 2 2 352.482 3.459 10 0 FGAELP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177369801 496035035 /nfs/dbraw/zinc/03/50/35/496035035.db2.gz VQPKSPLRKBLWOM-HXUWFJFHSA-N 2 2 369.513 3.099 10 0 FGAELP Cc1ccsc1CNC(=O)C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180650217 496087073 /nfs/dbraw/zinc/08/70/73/496087073.db2.gz UFKKBEGVDBPVAK-HNNXBMFYSA-N 2 2 354.479 3.209 10 0 FGAELP C[C@@H]([NH2+]CC(=O)Nc1cc(F)ccc1F)c1cccc(-n2cc[nH+]c2)c1 ZINC000180656990 496089752 /nfs/dbraw/zinc/08/97/52/496089752.db2.gz OPMDGCLZKFMLHY-CYBMUJFWSA-N 2 2 356.376 3.440 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000178299914 496403876 /nfs/dbraw/zinc/40/38/76/496403876.db2.gz GVRHBWUEHXRAQR-PMACEKPBSA-N 2 2 371.525 3.393 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000178299914 496403880 /nfs/dbraw/zinc/40/38/80/496403880.db2.gz GVRHBWUEHXRAQR-PMACEKPBSA-N 2 2 371.525 3.393 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1cc(Cl)ccc1F ZINC000178322119 496412209 /nfs/dbraw/zinc/41/22/09/496412209.db2.gz DZJVHHQRCCYTFP-SWLSCSKDSA-N 2 2 364.852 3.476 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1nc(Cc2ccccc2C)no1 ZINC000175812096 496555447 /nfs/dbraw/zinc/55/54/47/496555447.db2.gz VNEVSSOWLKWLFK-GOSISDBHSA-N 2 2 351.454 3.138 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1nc(Cc2ccccc2C)no1 ZINC000175812096 496555454 /nfs/dbraw/zinc/55/54/54/496555454.db2.gz VNEVSSOWLKWLFK-GOSISDBHSA-N 2 2 351.454 3.138 10 0 FGAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](CCOc2ccc(F)cc2)C1 ZINC000195259305 496865015 /nfs/dbraw/zinc/86/50/15/496865015.db2.gz ACAVXQZCAMRUTA-MRXNPFEDSA-N 2 2 363.502 3.423 10 0 FGAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](CCOc2ccc(F)cc2)C1 ZINC000195259305 496865016 /nfs/dbraw/zinc/86/50/16/496865016.db2.gz ACAVXQZCAMRUTA-MRXNPFEDSA-N 2 2 363.502 3.423 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](CCOc2ccc(F)cc2)C1 ZINC000195259305 496865019 /nfs/dbraw/zinc/86/50/19/496865019.db2.gz ACAVXQZCAMRUTA-MRXNPFEDSA-N 2 2 363.502 3.423 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](CCOc2ccc(F)cc2)C1 ZINC000195259305 496865021 /nfs/dbraw/zinc/86/50/21/496865021.db2.gz ACAVXQZCAMRUTA-MRXNPFEDSA-N 2 2 363.502 3.423 10 0 FGAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc(Cl)n2)C1 ZINC000195263189 496868039 /nfs/dbraw/zinc/86/80/39/496868039.db2.gz JEIMUERVTXSTHP-AWEZNQCLSA-N 2 2 350.919 3.454 10 0 FGAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc(Cl)n2)C1 ZINC000195263189 496868047 /nfs/dbraw/zinc/86/80/47/496868047.db2.gz JEIMUERVTXSTHP-AWEZNQCLSA-N 2 2 350.919 3.454 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(Cl)n2)C1 ZINC000195263189 496868048 /nfs/dbraw/zinc/86/80/48/496868048.db2.gz JEIMUERVTXSTHP-AWEZNQCLSA-N 2 2 350.919 3.454 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC000195263189 496868056 /nfs/dbraw/zinc/86/80/56/496868056.db2.gz JEIMUERVTXSTHP-AWEZNQCLSA-N 2 2 350.919 3.454 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2C(C)=O)C1 ZINC000247812552 496917852 /nfs/dbraw/zinc/91/78/52/496917852.db2.gz VHAIYYSSBQCGOA-NVXWUHKLSA-N 2 2 368.481 3.312 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2C(C)=O)C1 ZINC000247812552 496917854 /nfs/dbraw/zinc/91/78/54/496917854.db2.gz VHAIYYSSBQCGOA-NVXWUHKLSA-N 2 2 368.481 3.312 10 0 FGAELP Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3C)C2)n1 ZINC000192007375 496961856 /nfs/dbraw/zinc/96/18/56/496961856.db2.gz YYGWNUPBWPJSLN-LJQANCHMSA-N 2 2 364.497 3.301 10 0 FGAELP Cc1nc(C)n(C[C@@H]2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3C)C2)n1 ZINC000192007375 496961864 /nfs/dbraw/zinc/96/18/64/496961864.db2.gz YYGWNUPBWPJSLN-LJQANCHMSA-N 2 2 364.497 3.301 10 0 FGAELP COC(=O)[C@@H](c1ccccc1F)[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000245444563 497409026 /nfs/dbraw/zinc/40/90/26/497409026.db2.gz JTHBFKUJMWZBFH-DNVCBOLYSA-N 2 2 357.429 3.177 10 0 FGAELP COC(=O)[C@@H](c1ccccc1F)[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000245444563 497409029 /nfs/dbraw/zinc/40/90/29/497409029.db2.gz JTHBFKUJMWZBFH-DNVCBOLYSA-N 2 2 357.429 3.177 10 0 FGAELP CC(C)N(C)c1ccc(C[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cn1 ZINC000261656522 497428602 /nfs/dbraw/zinc/42/86/02/497428602.db2.gz BKGWTTSUERKHNZ-NRFANRHFSA-N 2 2 367.541 3.466 10 0 FGAELP CC(C)N(C)c1ccc(C[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cn1 ZINC000261656522 497428606 /nfs/dbraw/zinc/42/86/06/497428606.db2.gz BKGWTTSUERKHNZ-NRFANRHFSA-N 2 2 367.541 3.466 10 0 FGAELP CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000245497318 497429354 /nfs/dbraw/zinc/42/93/54/497429354.db2.gz TYNDPBIRRCITTC-QZTJIDSGSA-N 2 2 369.513 3.307 10 0 FGAELP CCC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000245497318 497429358 /nfs/dbraw/zinc/42/93/58/497429358.db2.gz TYNDPBIRRCITTC-QZTJIDSGSA-N 2 2 369.513 3.307 10 0 FGAELP [NH3+]C[C@@H]1C[N@H+](CC(=O)Nc2cc(Cl)ccc2F)C[C@H]1c1ccccc1 ZINC000261826360 497457549 /nfs/dbraw/zinc/45/75/49/497457549.db2.gz SPLNINXRQSSJMG-ZBFHGGJFSA-N 2 2 361.848 3.092 10 0 FGAELP [NH3+]C[C@@H]1C[N@@H+](CC(=O)Nc2cc(Cl)ccc2F)C[C@H]1c1ccccc1 ZINC000261826360 497457552 /nfs/dbraw/zinc/45/75/52/497457552.db2.gz SPLNINXRQSSJMG-ZBFHGGJFSA-N 2 2 361.848 3.092 10 0 FGAELP Cn1ccnc1C[N@H+](C/C=C/c1ccc(F)cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000261884620 497468050 /nfs/dbraw/zinc/46/80/50/497468050.db2.gz PSGRWNOWDPBUOA-PHXNAMCJSA-N 2 2 354.473 3.217 10 0 FGAELP Cn1ccnc1C[N@@H+](C/C=C/c1ccc(F)cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000261884620 497468054 /nfs/dbraw/zinc/46/80/54/497468054.db2.gz PSGRWNOWDPBUOA-PHXNAMCJSA-N 2 2 354.473 3.217 10 0 FGAELP Cc1cc(N2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)nc(-c2ccncc2)[nH+]1 ZINC000190448943 497483623 /nfs/dbraw/zinc/48/36/23/497483623.db2.gz MZJWUKZWEVKWJB-LJQANCHMSA-N 2 2 374.492 3.200 10 0 FGAELP Cc1cc(N2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)nc(-c2ccncc2)[nH+]1 ZINC000190448943 497483628 /nfs/dbraw/zinc/48/36/28/497483628.db2.gz MZJWUKZWEVKWJB-LJQANCHMSA-N 2 2 374.492 3.200 10 0 FGAELP COc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3scnc3C)C2)cc1O ZINC000190458616 497487509 /nfs/dbraw/zinc/48/75/09/497487509.db2.gz TYDPEOOXQWNBIX-MRXNPFEDSA-N 2 2 361.511 3.120 10 0 FGAELP COc1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3scnc3C)C2)cc1O ZINC000190458616 497487513 /nfs/dbraw/zinc/48/75/13/497487513.db2.gz TYDPEOOXQWNBIX-MRXNPFEDSA-N 2 2 361.511 3.120 10 0 FGAELP COc1ccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3scnc3C)C2)cc1O ZINC000190458616 497487517 /nfs/dbraw/zinc/48/75/17/497487517.db2.gz TYDPEOOXQWNBIX-MRXNPFEDSA-N 2 2 361.511 3.120 10 0 FGAELP COc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3scnc3C)C2)cc1O ZINC000190458616 497487522 /nfs/dbraw/zinc/48/75/22/497487522.db2.gz TYDPEOOXQWNBIX-MRXNPFEDSA-N 2 2 361.511 3.120 10 0 FGAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2c[nH]nc2C(C)(C)C)C1 ZINC000190465657 497490012 /nfs/dbraw/zinc/49/00/12/497490012.db2.gz KSCGWKNACOZGTF-HNNXBMFYSA-N 2 2 361.559 3.426 10 0 FGAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2c[nH]nc2C(C)(C)C)C1 ZINC000190465657 497490015 /nfs/dbraw/zinc/49/00/15/497490015.db2.gz KSCGWKNACOZGTF-HNNXBMFYSA-N 2 2 361.559 3.426 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2c[nH]nc2C(C)(C)C)C1 ZINC000190465657 497490017 /nfs/dbraw/zinc/49/00/17/497490017.db2.gz KSCGWKNACOZGTF-HNNXBMFYSA-N 2 2 361.559 3.426 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2c[nH]nc2C(C)(C)C)C1 ZINC000190465657 497490022 /nfs/dbraw/zinc/49/00/22/497490022.db2.gz KSCGWKNACOZGTF-HNNXBMFYSA-N 2 2 361.559 3.426 10 0 FGAELP CCCC[C@H](C(=O)Nc1cc(C)on1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246075208 497612076 /nfs/dbraw/zinc/61/20/76/497612076.db2.gz CMZSETGWDHZMQM-DLBZAZTESA-N 2 2 371.485 3.309 10 0 FGAELP CCCC[C@H](C(=O)Nc1cc(C)on1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246075208 497612081 /nfs/dbraw/zinc/61/20/81/497612081.db2.gz CMZSETGWDHZMQM-DLBZAZTESA-N 2 2 371.485 3.309 10 0 FGAELP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1C ZINC000246123918 497629483 /nfs/dbraw/zinc/62/94/83/497629483.db2.gz LQXBWCDZPVBJDW-MSOLQXFVSA-N 2 2 352.482 3.459 10 0 FGAELP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1C ZINC000246123918 497629488 /nfs/dbraw/zinc/62/94/88/497629488.db2.gz LQXBWCDZPVBJDW-MSOLQXFVSA-N 2 2 352.482 3.459 10 0 FGAELP CC(=O)c1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000246214484 497664105 /nfs/dbraw/zinc/66/41/05/497664105.db2.gz ZXPYOJZYDFHUQO-WBVHZDCISA-N 2 2 366.465 3.045 10 0 FGAELP CC(=O)c1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000246214484 497664109 /nfs/dbraw/zinc/66/41/09/497664109.db2.gz ZXPYOJZYDFHUQO-WBVHZDCISA-N 2 2 366.465 3.045 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@@H](O)COc2cc(C)cc(C)c2)C1 ZINC000246246599 497673930 /nfs/dbraw/zinc/67/39/30/497673930.db2.gz DTSUWOQISMZBAJ-RBUKOAKNSA-N 2 2 357.498 3.139 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@@H](O)COc2cc(C)cc(C)c2)C1 ZINC000246246599 497673931 /nfs/dbraw/zinc/67/39/31/497673931.db2.gz DTSUWOQISMZBAJ-RBUKOAKNSA-N 2 2 357.498 3.139 10 0 FGAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H]2CCSc3ccc(F)cc32)nc[nH+]1 ZINC000246393342 497719387 /nfs/dbraw/zinc/71/93/87/497719387.db2.gz LCVJXCCMHFJAFZ-HOCLYGCPSA-N 2 2 373.501 3.453 10 0 FGAELP C[N@H+](Cc1cscn1)Cc1cccc(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000246538214 497768661 /nfs/dbraw/zinc/76/86/61/497768661.db2.gz SFRJOPIQKSNYEF-JKSUJKDBSA-N 2 2 358.511 3.231 10 0 FGAELP C[N@@H+](Cc1cscn1)Cc1cccc(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000246538214 497768662 /nfs/dbraw/zinc/76/86/62/497768662.db2.gz SFRJOPIQKSNYEF-JKSUJKDBSA-N 2 2 358.511 3.231 10 0 FGAELP c1cc2[nH+]ccc(N3C[C@H]4OCC[N@@H+](Cc5ccccc5)[C@@H]4C3)c2s1 ZINC000301659583 498209982 /nfs/dbraw/zinc/20/99/82/498209982.db2.gz TVDIFHAUZSLORZ-RTBURBONSA-N 2 2 351.475 3.386 10 0 FGAELP c1cc2[nH+]ccc(N3C[C@H]4OCC[N@H+](Cc5ccccc5)[C@@H]4C3)c2s1 ZINC000301659583 498209987 /nfs/dbraw/zinc/20/99/87/498209987.db2.gz TVDIFHAUZSLORZ-RTBURBONSA-N 2 2 351.475 3.386 10 0 FGAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2cc(Cl)ccc2O)nc[nH+]1 ZINC000185992110 712706621 /nfs/dbraw/zinc/70/66/21/712706621.db2.gz KADCMPMQVPGZPE-JSGCOSHPSA-N 2 2 361.877 3.197 10 0 FGAELP Fc1cccc(C[NH+]2CCC([C@@H]3CC[N@H+](Cc4ncc[nH]4)C3)CC2)c1F ZINC000012432622 494232484 /nfs/dbraw/zinc/23/24/84/494232484.db2.gz ZFRZWLNINOFWSH-MRXNPFEDSA-N 2 2 360.452 3.422 10 0 FGAELP Fc1cccc(C[NH+]2CCC([C@@H]3CC[N@@H+](Cc4ncc[nH]4)C3)CC2)c1F ZINC000012432622 494232485 /nfs/dbraw/zinc/23/24/85/494232485.db2.gz ZFRZWLNINOFWSH-MRXNPFEDSA-N 2 2 360.452 3.422 10 0 FGAELP O[C@@H]1C[C@H](c2cc(F)ccc2F)[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000121191797 494638573 /nfs/dbraw/zinc/63/85/73/494638573.db2.gz XXOWMXVAEHFHIO-YLJYHZDGSA-N 2 2 355.388 3.458 10 0 FGAELP O[C@@H]1C[C@H](c2cc(F)ccc2F)[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000121191797 494638579 /nfs/dbraw/zinc/63/85/79/494638579.db2.gz XXOWMXVAEHFHIO-YLJYHZDGSA-N 2 2 355.388 3.458 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2nc(-c3ccc(F)cc3)no2)C1 ZINC000106217549 495436623 /nfs/dbraw/zinc/43/66/23/495436623.db2.gz GQNCKRMIGPMAMS-INIZCTEOSA-N 2 2 355.417 3.472 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2nc(-c3ccc(F)cc3)no2)C1 ZINC000106217549 495436624 /nfs/dbraw/zinc/43/66/24/495436624.db2.gz GQNCKRMIGPMAMS-INIZCTEOSA-N 2 2 355.417 3.472 10 0 FGAELP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](O)C[N@@H+]1CCc3ccccc3C1)CCCO2 ZINC000151790544 495950096 /nfs/dbraw/zinc/95/00/96/495950096.db2.gz HQMWVDHUFZDPJH-RBBKRZOGSA-N 2 2 366.505 3.218 10 0 FGAELP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](O)C[N@H+]1CCc3ccccc3C1)CCCO2 ZINC000151790544 495950100 /nfs/dbraw/zinc/95/01/00/495950100.db2.gz HQMWVDHUFZDPJH-RBBKRZOGSA-N 2 2 366.505 3.218 10 0 FGAELP Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c(Cl)c1 ZINC000171648037 495966497 /nfs/dbraw/zinc/96/64/97/495966497.db2.gz JRIMSKBMOILNCC-OAHLLOKOSA-N 2 2 358.873 3.416 10 0 FGAELP Cc1ccc(NC(=O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c(Cl)c1 ZINC000171648037 495966501 /nfs/dbraw/zinc/96/65/01/495966501.db2.gz JRIMSKBMOILNCC-OAHLLOKOSA-N 2 2 358.873 3.416 10 0 FGAELP C[C@@H](C(=O)N1CCCc2ccccc21)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171646313 495966908 /nfs/dbraw/zinc/96/69/08/495966908.db2.gz GTAFQWJKJRWWIF-ZWKOTPCHSA-N 2 2 364.493 3.183 10 0 FGAELP C[C@@H](C(=O)N1CCCc2ccccc21)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171646313 495966913 /nfs/dbraw/zinc/96/69/13/495966913.db2.gz GTAFQWJKJRWWIF-ZWKOTPCHSA-N 2 2 364.493 3.183 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccc(F)c(F)c3)C2)[nH+]1 ZINC000171650938 495970075 /nfs/dbraw/zinc/97/00/75/495970075.db2.gz DAHUNBOOEWNGLS-GJZGRUSLSA-N 2 2 374.435 3.429 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccc(F)c(F)c3)C2)[nH+]1 ZINC000171650938 495970080 /nfs/dbraw/zinc/97/00/80/495970080.db2.gz DAHUNBOOEWNGLS-GJZGRUSLSA-N 2 2 374.435 3.429 10 0 FGAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H]2CCSc3ccccc32)nc[nH+]1 ZINC000180564667 496046109 /nfs/dbraw/zinc/04/61/09/496046109.db2.gz DTRPAEJFEOQKHV-GOEBONIOSA-N 2 2 355.511 3.314 10 0 FGAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2ccc3ccccc3n2)nc[nH+]1 ZINC000180569101 496048654 /nfs/dbraw/zinc/04/86/54/496048654.db2.gz LQQDVUAWGAKTGY-WBVHZDCISA-N 2 2 362.481 3.386 10 0 FGAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2cc(C)ccc2OC)nc[nH+]1 ZINC000180574469 496050817 /nfs/dbraw/zinc/05/08/17/496050817.db2.gz GXEQWTLNCSKPEW-HZPDHXFCSA-N 2 2 355.486 3.155 10 0 FGAELP C[C@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C(=O)NCc1ccccc1F ZINC000180670121 496097276 /nfs/dbraw/zinc/09/72/76/496097276.db2.gz QNBSJMPAJGWZCF-HOTGVXAUSA-N 2 2 366.440 3.367 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCC(=O)Nc2cccc(OC)c2)C1 ZINC000174785671 496106252 /nfs/dbraw/zinc/10/62/52/496106252.db2.gz DQTCJIRHZNLNJS-KRWDZBQOSA-N 2 2 356.470 3.120 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc(OC)c2)C1 ZINC000174785671 496106260 /nfs/dbraw/zinc/10/62/60/496106260.db2.gz DQTCJIRHZNLNJS-KRWDZBQOSA-N 2 2 356.470 3.120 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000178324654 496413471 /nfs/dbraw/zinc/41/34/71/496413471.db2.gz BWQBCYRIMLEJCO-MAUKXSAKSA-N 2 2 358.873 3.115 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000178324654 496413477 /nfs/dbraw/zinc/41/34/77/496413477.db2.gz BWQBCYRIMLEJCO-MAUKXSAKSA-N 2 2 358.873 3.115 10 0 FGAELP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)CCCS2 ZINC000187820667 496584600 /nfs/dbraw/zinc/58/46/00/496584600.db2.gz XECXMWWWKXJSFU-YJBOKZPZSA-N 2 2 350.528 3.059 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2)C1 ZINC000195266403 496869471 /nfs/dbraw/zinc/86/94/71/496869471.db2.gz VVWCZNPKHFACHV-DLBZAZTESA-N 2 2 372.538 3.232 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2)C1 ZINC000195266403 496869476 /nfs/dbraw/zinc/86/94/76/496869476.db2.gz VVWCZNPKHFACHV-DLBZAZTESA-N 2 2 372.538 3.232 10 0 FGAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2)C1 ZINC000195266403 496869485 /nfs/dbraw/zinc/86/94/85/496869485.db2.gz VVWCZNPKHFACHV-DLBZAZTESA-N 2 2 372.538 3.232 10 0 FGAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2)C1 ZINC000195266403 496869489 /nfs/dbraw/zinc/86/94/89/496869489.db2.gz VVWCZNPKHFACHV-DLBZAZTESA-N 2 2 372.538 3.232 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000247561751 496888661 /nfs/dbraw/zinc/88/86/61/496888661.db2.gz GDRUPFOEZDJETA-UYAOXDASSA-N 2 2 352.482 3.102 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000247561751 496888667 /nfs/dbraw/zinc/88/86/67/496888667.db2.gz GDRUPFOEZDJETA-UYAOXDASSA-N 2 2 352.482 3.102 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2c(F)cccc2F)C1 ZINC000247581017 496892401 /nfs/dbraw/zinc/89/24/01/496892401.db2.gz IKXSOJJNNGHAPX-ZIAGYGMSSA-N 2 2 362.424 3.388 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2c(F)cccc2F)C1 ZINC000247581017 496892403 /nfs/dbraw/zinc/89/24/03/496892403.db2.gz IKXSOJJNNGHAPX-ZIAGYGMSSA-N 2 2 362.424 3.388 10 0 FGAELP Cc1ncc(CN2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3C)CC2)s1 ZINC000191998959 496958761 /nfs/dbraw/zinc/95/87/61/496958761.db2.gz HGYWIEJDWNSLAK-UHFFFAOYSA-N 2 2 367.522 3.263 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCC(=O)N2CCc3ccccc3C2)C1 ZINC000189013489 496979225 /nfs/dbraw/zinc/97/92/25/496979225.db2.gz FEZZPSNPJSNMGF-FQEVSTJZSA-N 2 2 366.509 3.057 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCC(=O)N2CCc3ccccc3C2)C1 ZINC000189013489 496979228 /nfs/dbraw/zinc/97/92/28/496979228.db2.gz FEZZPSNPJSNMGF-FQEVSTJZSA-N 2 2 366.509 3.057 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1cc(C)ccc1Cl ZINC000248567845 497043390 /nfs/dbraw/zinc/04/33/90/497043390.db2.gz LGRODVRLPPQZEN-DLBZAZTESA-N 2 2 363.889 3.058 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@@H](O)COc1cc(C)ccc1Cl ZINC000248567845 497043392 /nfs/dbraw/zinc/04/33/92/497043392.db2.gz LGRODVRLPPQZEN-DLBZAZTESA-N 2 2 363.889 3.058 10 0 FGAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](C)c2ccc(I)cc2)C1 ZINC000250250222 497264373 /nfs/dbraw/zinc/26/43/73/497264373.db2.gz IMCQCUDQGWXTBO-IUODEOHRSA-N 2 2 358.267 3.426 10 0 FGAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H](C)c2ccc(I)cc2)C1 ZINC000250250222 497264376 /nfs/dbraw/zinc/26/43/76/497264376.db2.gz IMCQCUDQGWXTBO-IUODEOHRSA-N 2 2 358.267 3.426 10 0 FGAELP C[C@@H]([NH2+]CCC(=O)N1CCc2ccccc2C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189912122 497291399 /nfs/dbraw/zinc/29/13/99/497291399.db2.gz SOQDQASLPNQGHH-GOSISDBHSA-N 2 2 374.488 3.498 10 0 FGAELP Cc1ccc(F)cc1NC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261608259 497419041 /nfs/dbraw/zinc/41/90/41/497419041.db2.gz BOUSFZBCUQOJAS-WDYCEAGBSA-N 2 2 355.457 3.135 10 0 FGAELP Cc1ccc(F)cc1NC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261608259 497419044 /nfs/dbraw/zinc/41/90/44/497419044.db2.gz BOUSFZBCUQOJAS-WDYCEAGBSA-N 2 2 355.457 3.135 10 0 FGAELP CC1CCN([C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c2ccccc2)CC1 ZINC000261958347 497482158 /nfs/dbraw/zinc/48/21/58/497482158.db2.gz PFEUTYMKFZSLFK-BXXSPATCSA-N 2 2 371.569 3.206 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccc(F)cc3F)C2)[nH+]1 ZINC000246113025 497625445 /nfs/dbraw/zinc/62/54/45/497625445.db2.gz JRQMFGASGBHKSP-CABCVRRESA-N 2 2 374.435 3.429 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccc(F)cc3F)C2)[nH+]1 ZINC000246113025 497625448 /nfs/dbraw/zinc/62/54/48/497625448.db2.gz JRQMFGASGBHKSP-CABCVRRESA-N 2 2 374.435 3.429 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)N[C@H](C)c3cccs3)C2)[nH+]1 ZINC000246154035 497640302 /nfs/dbraw/zinc/64/03/02/497640302.db2.gz PWDKTSVPQVKFRQ-CVEARBPZSA-N 2 2 358.511 3.063 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)N[C@H](C)c3cccs3)C2)[nH+]1 ZINC000246154035 497640304 /nfs/dbraw/zinc/64/03/04/497640304.db2.gz PWDKTSVPQVKFRQ-CVEARBPZSA-N 2 2 358.511 3.063 10 0 FGAELP CC(C)c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246300217 497688740 /nfs/dbraw/zinc/68/87/40/497688740.db2.gz DNJUXQCFPVZTJU-RBUKOAKNSA-N 2 2 369.509 3.379 10 0 FGAELP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000246538304 497768667 /nfs/dbraw/zinc/76/86/67/497768667.db2.gz JRZPVQRIZFOHEM-MEZWHVQBSA-N 2 2 355.526 3.201 10 0 FGAELP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000246538304 497768668 /nfs/dbraw/zinc/76/86/68/497768668.db2.gz JRZPVQRIZFOHEM-MEZWHVQBSA-N 2 2 355.526 3.201 10 0 FGAELP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000246538304 497768669 /nfs/dbraw/zinc/76/86/69/497768669.db2.gz JRZPVQRIZFOHEM-MEZWHVQBSA-N 2 2 355.526 3.201 10 0 FGAELP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000246538304 497768670 /nfs/dbraw/zinc/76/86/70/497768670.db2.gz JRZPVQRIZFOHEM-MEZWHVQBSA-N 2 2 355.526 3.201 10 0 FGAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)[C@@H](C)c2ccc(OC)cc2)nc[nH+]1 ZINC000246575896 497780026 /nfs/dbraw/zinc/78/00/26/497780026.db2.gz YIMONZQVHHNHFG-JFIYKMOQSA-N 2 2 369.513 3.278 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@@H](O)COc1ccc2ccccc2c1 ZINC000246847569 497816079 /nfs/dbraw/zinc/81/60/79/497816079.db2.gz BYLRSJRJRWUIGO-NHCUHLMSSA-N 2 2 365.477 3.249 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@@H](O)COc1ccc2ccccc2c1 ZINC000246847569 497816080 /nfs/dbraw/zinc/81/60/80/497816080.db2.gz BYLRSJRJRWUIGO-NHCUHLMSSA-N 2 2 365.477 3.249 10 0 FGAELP C[C@@H]1C[N@H+](C)C[C@H](c2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)O1 ZINC000527543690 503830584 /nfs/dbraw/zinc/83/05/84/503830584.db2.gz OVBDXKCRCYZYNR-CRAIPNDOSA-N 2 2 356.470 3.114 10 0 FGAELP C[C@@H]1C[N@@H+](C)C[C@H](c2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)O1 ZINC000527543690 503830594 /nfs/dbraw/zinc/83/05/94/503830594.db2.gz OVBDXKCRCYZYNR-CRAIPNDOSA-N 2 2 356.470 3.114 10 0 FGAELP C[C@@H](C[NH+]1CCCCC1)NC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000073665288 494409839 /nfs/dbraw/zinc/40/98/39/494409839.db2.gz CHPIJRLSVSJUBU-IRXDYDNUSA-N 2 2 355.486 3.107 10 0 FGAELP COc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000092812933 494757441 /nfs/dbraw/zinc/75/74/41/494757441.db2.gz BLXIFNIVZYJUIU-MRXNPFEDSA-N 2 2 363.465 3.414 10 0 FGAELP COc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000092812933 494757451 /nfs/dbraw/zinc/75/74/51/494757451.db2.gz BLXIFNIVZYJUIU-MRXNPFEDSA-N 2 2 363.465 3.414 10 0 FGAELP COc1cc(OC)c(OC)cc1C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000092812696 494759677 /nfs/dbraw/zinc/75/96/77/494759677.db2.gz BGGJSXSYWIJMQE-OAHLLOKOSA-N 2 2 357.454 3.041 10 0 FGAELP COc1cc(OC)c(OC)cc1C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000092812696 494759684 /nfs/dbraw/zinc/75/96/84/494759684.db2.gz BGGJSXSYWIJMQE-OAHLLOKOSA-N 2 2 357.454 3.041 10 0 FGAELP CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]CCc2cn3ccccc3[nH+]2)C1 ZINC000129970862 495321620 /nfs/dbraw/zinc/32/16/20/495321620.db2.gz AJNSXVQPDPJEMI-MRXNPFEDSA-N 2 2 358.486 3.114 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3c(F)cccc3F)C2=O)C1 ZINC000120602644 495415400 /nfs/dbraw/zinc/41/54/00/495415400.db2.gz LNFNNAFOVQMHFT-RHSMWYFYSA-N 2 2 374.435 3.166 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H]2CCN(c3c(F)cccc3F)C2=O)C1 ZINC000120602644 495415404 /nfs/dbraw/zinc/41/54/04/495415404.db2.gz LNFNNAFOVQMHFT-RHSMWYFYSA-N 2 2 374.435 3.166 10 0 FGAELP COCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000125271751 495416961 /nfs/dbraw/zinc/41/69/61/495416961.db2.gz DYVUVLQLXKWJHT-KBXCAEBGSA-N 2 2 366.469 3.104 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cc(=O)oc3cc(OC)ccc23)C1 ZINC000106217229 495434910 /nfs/dbraw/zinc/43/49/10/495434910.db2.gz FDGWWSZEZJNBKZ-INIZCTEOSA-N 2 2 367.449 3.398 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cc(=O)oc3cc(OC)ccc23)C1 ZINC000106217229 495434911 /nfs/dbraw/zinc/43/49/11/495434911.db2.gz FDGWWSZEZJNBKZ-INIZCTEOSA-N 2 2 367.449 3.398 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@@H](O)COc1cc(C)ccc1Cl ZINC000182443628 495566087 /nfs/dbraw/zinc/56/60/87/495566087.db2.gz LGRODVRLPPQZEN-IAGOWNOFSA-N 2 2 363.889 3.058 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@@H](O)COc1cc(C)ccc1Cl ZINC000182443628 495566095 /nfs/dbraw/zinc/56/60/95/495566095.db2.gz LGRODVRLPPQZEN-IAGOWNOFSA-N 2 2 363.889 3.058 10 0 FGAELP C[C@H](NC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000176380304 495628167 /nfs/dbraw/zinc/62/81/67/495628167.db2.gz JCWJITLZAYEPGV-JQHSSLGASA-N 2 2 355.486 3.105 10 0 FGAELP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](c2cccs2)[NH+]2CCCC2)C12CCOCC2 ZINC000186197594 495893277 /nfs/dbraw/zinc/89/32/77/495893277.db2.gz JVXPTLSPGYXBHX-YTQUADARSA-N 2 2 364.555 3.449 10 0 FGAELP COc1ccccc1-c1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000174299997 495900080 /nfs/dbraw/zinc/90/00/80/495900080.db2.gz JIUGJPOKDRKMNU-HXUWFJFHSA-N 2 2 354.494 3.299 10 0 FGAELP C[C@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccc(-n2cnnn2)cc1 ZINC000151713955 495925675 /nfs/dbraw/zinc/92/56/75/495925675.db2.gz SQAXYZZUDNUELO-HOTGVXAUSA-N 2 2 359.437 3.260 10 0 FGAELP O=C(C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)N[C@@H](c1ccccc1)C1CC1 ZINC000171643273 495962734 /nfs/dbraw/zinc/96/27/34/495962734.db2.gz VIKHZJPAMGLBIO-VGSWGCGISA-N 2 2 364.493 3.083 10 0 FGAELP O=C(C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)N[C@@H](c1ccccc1)C1CC1 ZINC000171643273 495962736 /nfs/dbraw/zinc/96/27/36/495962736.db2.gz VIKHZJPAMGLBIO-VGSWGCGISA-N 2 2 364.493 3.083 10 0 FGAELP CCOc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171644627 495963823 /nfs/dbraw/zinc/96/38/23/495963823.db2.gz SLCANKPSBWDWPW-IAGOWNOFSA-N 2 2 368.481 3.241 10 0 FGAELP CCOc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171644627 495963831 /nfs/dbraw/zinc/96/38/31/495963831.db2.gz SLCANKPSBWDWPW-IAGOWNOFSA-N 2 2 368.481 3.241 10 0 FGAELP c1ccc(-c2noc(CCC[N@@H+]3CC[C@H](CNc4cccc[nH+]4)C3)n2)cc1 ZINC000171645142 495964136 /nfs/dbraw/zinc/96/41/36/495964136.db2.gz YCURUGGSYKJKMN-QGZVFWFLSA-N 2 2 363.465 3.498 10 0 FGAELP c1ccc(-c2noc(CCC[N@H+]3CC[C@H](CNc4cccc[nH+]4)C3)n2)cc1 ZINC000171645142 495964140 /nfs/dbraw/zinc/96/41/40/495964140.db2.gz YCURUGGSYKJKMN-QGZVFWFLSA-N 2 2 363.465 3.498 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3c(F)cccc3F)C2)[nH+]1 ZINC000171650933 495970503 /nfs/dbraw/zinc/97/05/03/495970503.db2.gz DQZYVQWVCZSWPD-LSDHHAIUSA-N 2 2 374.435 3.429 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3c(F)cccc3F)C2)[nH+]1 ZINC000171650933 495970507 /nfs/dbraw/zinc/97/05/07/495970507.db2.gz DQZYVQWVCZSWPD-LSDHHAIUSA-N 2 2 374.435 3.429 10 0 FGAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2cc(F)c(F)c(F)c2)nc[nH+]1 ZINC000180575051 496051482 /nfs/dbraw/zinc/05/14/82/496051482.db2.gz QIXKVNSZDVIRKC-YPMHNXCESA-N 2 2 365.403 3.255 10 0 FGAELP C[C@@H]([NH2+]CC(=O)N1CCc2ccccc2C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180655204 496089049 /nfs/dbraw/zinc/08/90/49/496089049.db2.gz PFTQUXYWSLGCRO-QGZVFWFLSA-N 2 2 360.461 3.108 10 0 FGAELP C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cn1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180658247 496091366 /nfs/dbraw/zinc/09/13/66/496091366.db2.gz LVUGCRXXSUFKDB-CYBMUJFWSA-N 2 2 355.829 3.210 10 0 FGAELP COC(=O)c1cc2cc(C[N@@H+]3CCC[C@H]3Cn3cc[nH+]c3C)ccc2o1 ZINC000178288264 496399814 /nfs/dbraw/zinc/39/98/14/496399814.db2.gz RCKJLBUIFOCYIY-KRWDZBQOSA-N 2 2 353.422 3.389 10 0 FGAELP COC(=O)c1cc2cc(C[N@H+]3CCC[C@H]3Cn3cc[nH+]c3C)ccc2o1 ZINC000178288264 496399819 /nfs/dbraw/zinc/39/98/19/496399819.db2.gz RCKJLBUIFOCYIY-KRWDZBQOSA-N 2 2 353.422 3.389 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cccc(C(=O)NCC(C)C)c1 ZINC000178296199 496402975 /nfs/dbraw/zinc/40/29/75/496402975.db2.gz STQMQXRVTPXQMB-FQEVSTJZSA-N 2 2 354.498 3.242 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cccc(C(=O)NCC(C)C)c1 ZINC000178296199 496402979 /nfs/dbraw/zinc/40/29/79/496402979.db2.gz STQMQXRVTPXQMB-FQEVSTJZSA-N 2 2 354.498 3.242 10 0 FGAELP CCc1ccc(-c2noc(C[N@@H+]3CCC[C@H]3Cn3cc[nH+]c3C)n2)cc1 ZINC000178301424 496404431 /nfs/dbraw/zinc/40/44/31/496404431.db2.gz GJNNOCFATQPCQS-SFHVURJKSA-N 2 2 351.454 3.469 10 0 FGAELP CCc1ccc(-c2noc(C[N@H+]3CCC[C@H]3Cn3cc[nH+]c3C)n2)cc1 ZINC000178301424 496404435 /nfs/dbraw/zinc/40/44/35/496404435.db2.gz GJNNOCFATQPCQS-SFHVURJKSA-N 2 2 351.454 3.469 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000178750221 496560769 /nfs/dbraw/zinc/56/07/69/496560769.db2.gz ACRSBBDZMWBLSU-MRXNPFEDSA-N 2 2 366.387 3.313 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000178750221 496560772 /nfs/dbraw/zinc/56/07/72/496560772.db2.gz ACRSBBDZMWBLSU-MRXNPFEDSA-N 2 2 366.387 3.313 10 0 FGAELP CC(C)C[C@@H](C[NH+](C)C)[NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1 ZINC000187953935 496630735 /nfs/dbraw/zinc/63/07/35/496630735.db2.gz NGCVLKXYGZYLGF-ADKAHSJRSA-N 2 2 371.525 3.160 10 0 FGAELP Cc1ncsc1CC[NH+]1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000195260629 496866353 /nfs/dbraw/zinc/86/63/53/496866353.db2.gz GRIUQBJXECMBAQ-OAHLLOKOSA-N 2 2 350.557 3.213 10 0 FGAELP Cc1ncsc1CC[NH+]1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195260629 496866357 /nfs/dbraw/zinc/86/63/57/496866357.db2.gz GRIUQBJXECMBAQ-OAHLLOKOSA-N 2 2 350.557 3.213 10 0 FGAELP Cc1ncsc1CC[N@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195260629 496866361 /nfs/dbraw/zinc/86/63/61/496866361.db2.gz GRIUQBJXECMBAQ-OAHLLOKOSA-N 2 2 350.557 3.213 10 0 FGAELP Cc1ncsc1CC[N@@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195260629 496866365 /nfs/dbraw/zinc/86/63/65/496866365.db2.gz GRIUQBJXECMBAQ-OAHLLOKOSA-N 2 2 350.557 3.213 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N[C@H](C)c2ccccc2)C1 ZINC000247558514 496888908 /nfs/dbraw/zinc/88/89/08/496888908.db2.gz FRZMXTKZCXSXHU-ZIFCJYIRSA-N 2 2 354.498 3.348 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N[C@H](C)c2ccccc2)C1 ZINC000247558514 496888910 /nfs/dbraw/zinc/88/89/10/496888910.db2.gz FRZMXTKZCXSXHU-ZIFCJYIRSA-N 2 2 354.498 3.348 10 0 FGAELP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](c2ccc(CC)cc2)[NH+](C)C)C12CCOCC2 ZINC000248975285 497143275 /nfs/dbraw/zinc/14/32/75/497143275.db2.gz HMLYDUGMIYKDPO-PWRODBHTSA-N 2 2 360.542 3.416 10 0 FGAELP COc1cc2c(c(C[N@@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)c1)O[C@H](C)C2 ZINC000245573027 497462904 /nfs/dbraw/zinc/46/29/04/497462904.db2.gz YQPXFWKTZKPUET-CVEARBPZSA-N 2 2 353.466 3.348 10 0 FGAELP COc1cc2c(c(C[N@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)c1)O[C@H](C)C2 ZINC000245573027 497462909 /nfs/dbraw/zinc/46/29/09/497462909.db2.gz YQPXFWKTZKPUET-CVEARBPZSA-N 2 2 353.466 3.348 10 0 FGAELP COc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2C[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC000261940040 497480427 /nfs/dbraw/zinc/48/04/27/497480427.db2.gz DOSVHKJHDIHEBF-IERDGZPVSA-N 2 2 362.477 3.327 10 0 FGAELP COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2C[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC000261940040 497480433 /nfs/dbraw/zinc/48/04/33/497480433.db2.gz DOSVHKJHDIHEBF-IERDGZPVSA-N 2 2 362.477 3.327 10 0 FGAELP COc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3scnc3C)C2)cc1O ZINC000190458596 497487293 /nfs/dbraw/zinc/48/72/93/497487293.db2.gz TYDPEOOXQWNBIX-INIZCTEOSA-N 2 2 361.511 3.120 10 0 FGAELP COc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3scnc3C)C2)cc1O ZINC000190458596 497487297 /nfs/dbraw/zinc/48/72/97/497487297.db2.gz TYDPEOOXQWNBIX-INIZCTEOSA-N 2 2 361.511 3.120 10 0 FGAELP COc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3scnc3C)C2)cc1O ZINC000190458596 497487300 /nfs/dbraw/zinc/48/73/00/497487300.db2.gz TYDPEOOXQWNBIX-INIZCTEOSA-N 2 2 361.511 3.120 10 0 FGAELP COc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3scnc3C)C2)cc1O ZINC000190458596 497487303 /nfs/dbraw/zinc/48/73/03/497487303.db2.gz TYDPEOOXQWNBIX-INIZCTEOSA-N 2 2 361.511 3.120 10 0 FGAELP CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245658252 497490726 /nfs/dbraw/zinc/49/07/26/497490726.db2.gz FCFRWYLIQKWNEG-HAGHYFMRSA-N 2 2 365.525 3.461 10 0 FGAELP CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245658252 497490730 /nfs/dbraw/zinc/49/07/30/497490730.db2.gz FCFRWYLIQKWNEG-HAGHYFMRSA-N 2 2 365.525 3.461 10 0 FGAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2ccc(N3CCCC3)nc2)C1 ZINC000190488511 497501672 /nfs/dbraw/zinc/50/16/72/497501672.db2.gz VUNPVNSYMKSLAU-OAQYLSRUSA-N 2 2 365.525 3.031 10 0 FGAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2ccc(N3CCCC3)nc2)C1 ZINC000190488511 497501677 /nfs/dbraw/zinc/50/16/77/497501677.db2.gz VUNPVNSYMKSLAU-OAQYLSRUSA-N 2 2 365.525 3.031 10 0 FGAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](Cc2ccc(N3CCCC3)nc2)C1 ZINC000190488511 497501686 /nfs/dbraw/zinc/50/16/86/497501686.db2.gz VUNPVNSYMKSLAU-OAQYLSRUSA-N 2 2 365.525 3.031 10 0 FGAELP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000245934487 497577157 /nfs/dbraw/zinc/57/71/57/497577157.db2.gz SYBVIRBQIQPIIZ-WMZOPIPTSA-N 2 2 355.486 3.167 10 0 FGAELP CCN(CC)C(=O)[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246077644 497613734 /nfs/dbraw/zinc/61/37/34/497613734.db2.gz CYIVIMYUDIOIEO-GHTZIAJQSA-N 2 2 366.509 3.425 10 0 FGAELP CCN(CC)C(=O)[C@@H](c1ccccc1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246077644 497613738 /nfs/dbraw/zinc/61/37/38/497613738.db2.gz CYIVIMYUDIOIEO-GHTZIAJQSA-N 2 2 366.509 3.425 10 0 FGAELP CC(C)c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246300198 497688836 /nfs/dbraw/zinc/68/88/36/497688836.db2.gz DNJUXQCFPVZTJU-OALUTQOASA-N 2 2 369.509 3.379 10 0 FGAELP CC(C)[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000246390934 497718126 /nfs/dbraw/zinc/71/81/26/497718126.db2.gz KXAVECJIUMZABC-FRQCXROJSA-N 2 2 365.949 3.395 10 0 FGAELP C[C@@H]([NH2+]CC(=O)Nc1cccnc1Cl)c1cccc(-n2cc[nH+]c2)c1 ZINC000189910790 712803387 /nfs/dbraw/zinc/80/33/87/712803387.db2.gz GFCYJZYEHCXMPA-CYBMUJFWSA-N 2 2 355.829 3.210 10 0 FGAELP CCc1c(C)[nH+]c(-c2ccc(C(F)(F)F)cc2)nc1N1CC[NH2+]CC1 ZINC000006735046 132260987 /nfs/dbraw/zinc/26/09/87/132260987.db2.gz VJHRFSBNFYPCFD-UHFFFAOYSA-N 2 2 350.388 3.443 10 0 FGAELP C[C@@H](NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000085362444 494116440 /nfs/dbraw/zinc/11/64/40/494116440.db2.gz LREQSOVUBQOSRY-HZPDHXFCSA-N 2 2 357.502 3.209 10 0 FGAELP Cn1ccnc1C[N@@H+](Cc1cccnc1)CC1CC[NH+](C2CCCC2)CC1 ZINC000012437713 494232244 /nfs/dbraw/zinc/23/22/44/494232244.db2.gz JFPRUOUHSJGIDG-UHFFFAOYSA-N 2 2 367.541 3.472 10 0 FGAELP Cn1ccnc1C[N@H+](Cc1cccnc1)CC1CC[NH+](C2CCCC2)CC1 ZINC000012437713 494232248 /nfs/dbraw/zinc/23/22/48/494232248.db2.gz JFPRUOUHSJGIDG-UHFFFAOYSA-N 2 2 367.541 3.472 10 0 FGAELP CCOc1c(OC)cc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1OC ZINC000092812870 494757400 /nfs/dbraw/zinc/75/74/00/494757400.db2.gz PKAIYKTTWOEUTK-INIZCTEOSA-N 2 2 371.481 3.432 10 0 FGAELP CCOc1c(OC)cc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1OC ZINC000092812870 494757407 /nfs/dbraw/zinc/75/74/07/494757407.db2.gz PKAIYKTTWOEUTK-INIZCTEOSA-N 2 2 371.481 3.432 10 0 FGAELP CCc1[nH+]c2ccccc2n1C1CC[NH+](C[C@H](O)COC(C)(C)C)CC1 ZINC000093300288 494864300 /nfs/dbraw/zinc/86/43/00/494864300.db2.gz YHSHORPEBWUMJY-KRWDZBQOSA-N 2 2 359.514 3.412 10 0 FGAELP CC[N@@H+](Cc1c(C)nn(C)c1OC)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818797 494924771 /nfs/dbraw/zinc/92/47/71/494924771.db2.gz UWFKIUZWVSTAIJ-LJQANCHMSA-N 2 2 356.514 3.081 10 0 FGAELP CC[N@H+](Cc1c(C)nn(C)c1OC)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818797 494924775 /nfs/dbraw/zinc/92/47/75/494924775.db2.gz UWFKIUZWVSTAIJ-LJQANCHMSA-N 2 2 356.514 3.081 10 0 FGAELP CC[NH+](Cc1c(C)nn(C)c1OC)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093818797 494924780 /nfs/dbraw/zinc/92/47/80/494924780.db2.gz UWFKIUZWVSTAIJ-LJQANCHMSA-N 2 2 356.514 3.081 10 0 FGAELP CC[NH+](Cc1c(C)nn(C)c1OC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093818797 494924784 /nfs/dbraw/zinc/92/47/84/494924784.db2.gz UWFKIUZWVSTAIJ-LJQANCHMSA-N 2 2 356.514 3.081 10 0 FGAELP Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000103473739 495237548 /nfs/dbraw/zinc/23/75/48/495237548.db2.gz YNLDMRRGJDFZQQ-ZWKOTPCHSA-N 2 2 352.482 3.459 10 0 FGAELP Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000103473739 495237550 /nfs/dbraw/zinc/23/75/50/495237550.db2.gz YNLDMRRGJDFZQQ-ZWKOTPCHSA-N 2 2 352.482 3.459 10 0 FGAELP COCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000125271982 495417634 /nfs/dbraw/zinc/41/76/34/495417634.db2.gz DYVUVLQLXKWJHT-KDOFPFPSSA-N 2 2 366.469 3.104 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NCc2ccccc2Cl)C1 ZINC000106215173 495435033 /nfs/dbraw/zinc/43/50/33/495435033.db2.gz YFZWEDMCICCEIT-DOTOQJQBSA-N 2 2 374.916 3.441 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NCc2ccccc2Cl)C1 ZINC000106215173 495435035 /nfs/dbraw/zinc/43/50/35/495435035.db2.gz YFZWEDMCICCEIT-DOTOQJQBSA-N 2 2 374.916 3.441 10 0 FGAELP C[C@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1cnc2ccsc2c1 ZINC000151798800 495952431 /nfs/dbraw/zinc/95/24/31/495952431.db2.gz KJSLRIKBPRTCNZ-KXBFYZLASA-N 2 2 367.518 3.366 10 0 FGAELP C[C@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1cnc2ccsc2c1 ZINC000151798800 495952435 /nfs/dbraw/zinc/95/24/35/495952435.db2.gz KJSLRIKBPRTCNZ-KXBFYZLASA-N 2 2 367.518 3.366 10 0 FGAELP Cc1ccc([C@@H](C)NC(=O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1C ZINC000171645930 495964493 /nfs/dbraw/zinc/96/44/93/495964493.db2.gz DZIDKXWLCJDMHJ-RTBURBONSA-N 2 2 366.509 3.310 10 0 FGAELP Cc1ccc([C@@H](C)NC(=O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1C ZINC000171645930 495964500 /nfs/dbraw/zinc/96/45/00/495964500.db2.gz DZIDKXWLCJDMHJ-RTBURBONSA-N 2 2 366.509 3.310 10 0 FGAELP C[C@@H](NC(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)c1ccccc1Cl ZINC000171645846 495965032 /nfs/dbraw/zinc/96/50/32/495965032.db2.gz MVCCHBQOMPCXSU-HZPDHXFCSA-N 2 2 372.900 3.346 10 0 FGAELP C[C@@H](NC(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)c1ccccc1Cl ZINC000171645846 495965040 /nfs/dbraw/zinc/96/50/40/495965040.db2.gz MVCCHBQOMPCXSU-HZPDHXFCSA-N 2 2 372.900 3.346 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)N[C@@H](C)c3cccs3)C2)[nH+]1 ZINC000171652011 495970406 /nfs/dbraw/zinc/97/04/06/495970406.db2.gz PWDKTSVPQVKFRQ-JKSUJKDBSA-N 2 2 358.511 3.063 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)N[C@@H](C)c3cccs3)C2)[nH+]1 ZINC000171652011 495970413 /nfs/dbraw/zinc/97/04/13/495970413.db2.gz PWDKTSVPQVKFRQ-JKSUJKDBSA-N 2 2 358.511 3.063 10 0 FGAELP CCc1ccc(NC(=O)C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)cc1 ZINC000171653129 495972012 /nfs/dbraw/zinc/97/20/12/495972012.db2.gz WYXRCJKWVXJLRN-SFHVURJKSA-N 2 2 352.482 3.325 10 0 FGAELP CCc1ccc(NC(=O)C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)cc1 ZINC000171653129 495972015 /nfs/dbraw/zinc/97/20/15/495972015.db2.gz WYXRCJKWVXJLRN-SFHVURJKSA-N 2 2 352.482 3.325 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)Nc3ccc(F)c(F)c3)C2)[nH+]1 ZINC000171653576 495973821 /nfs/dbraw/zinc/97/38/21/495973821.db2.gz FKSRHWFKSKCTDZ-AWEZNQCLSA-N 2 2 360.408 3.041 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)Nc3ccc(F)c(F)c3)C2)[nH+]1 ZINC000171653576 495973831 /nfs/dbraw/zinc/97/38/31/495973831.db2.gz FKSRHWFKSKCTDZ-AWEZNQCLSA-N 2 2 360.408 3.041 10 0 FGAELP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)C12CCOCC2 ZINC000186507665 496024596 /nfs/dbraw/zinc/02/45/96/496024596.db2.gz FITIHSHFGVKZRB-FYZZASKESA-N 2 2 358.526 3.071 10 0 FGAELP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)C12CCOCC2 ZINC000186507665 496024599 /nfs/dbraw/zinc/02/45/99/496024599.db2.gz FITIHSHFGVKZRB-FYZZASKESA-N 2 2 358.526 3.071 10 0 FGAELP CC[C@@H]([NH2+]C[C@H]1CCCN1c1cc(NC)[nH+]cn1)c1ccc(OC)cc1 ZINC000180566667 496047482 /nfs/dbraw/zinc/04/74/82/496047482.db2.gz JPBINCNEKVLFOV-SJLPKXTDSA-N 2 2 355.486 3.237 10 0 FGAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)CCc2ccc(OC)cc2)nc[nH+]1 ZINC000180570261 496048969 /nfs/dbraw/zinc/04/89/69/496048969.db2.gz AKGGCCYTUMVIMG-WMZOPIPTSA-N 2 2 369.513 3.107 10 0 FGAELP C[C@@H]([NH2+]CC(=O)Nc1ccc(F)cc1F)c1cccc(-n2cc[nH+]c2)c1 ZINC000180650461 496086876 /nfs/dbraw/zinc/08/68/76/496086876.db2.gz XEDRFSMAXFFSRF-CYBMUJFWSA-N 2 2 356.376 3.440 10 0 FGAELP C[C@@H]([NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)C(=O)NCc1ccc(F)cc1 ZINC000180665078 496093742 /nfs/dbraw/zinc/09/37/42/496093742.db2.gz IXWBPVSXEKFPDT-HZPDHXFCSA-N 2 2 366.440 3.367 10 0 FGAELP C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C(=O)NCc1ccccc1F ZINC000180670163 496096559 /nfs/dbraw/zinc/09/65/59/496096559.db2.gz QNBSJMPAJGWZCF-JKSUJKDBSA-N 2 2 366.440 3.367 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@H](O)COc1cccc2ccccc21 ZINC000178314260 496409845 /nfs/dbraw/zinc/40/98/45/496409845.db2.gz NOFZDSRLCXKSCJ-PMACEKPBSA-N 2 2 365.477 3.249 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@H](O)COc1cccc2ccccc21 ZINC000178314260 496409850 /nfs/dbraw/zinc/40/98/50/496409850.db2.gz NOFZDSRLCXKSCJ-PMACEKPBSA-N 2 2 365.477 3.249 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(F)cc1Cl ZINC000178751814 496560589 /nfs/dbraw/zinc/56/05/89/496560589.db2.gz PMNYZJZOHQAQJO-CQSZACIVSA-N 2 2 350.825 3.087 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(F)cc1Cl ZINC000178751814 496560595 /nfs/dbraw/zinc/56/05/95/496560595.db2.gz PMNYZJZOHQAQJO-CQSZACIVSA-N 2 2 350.825 3.087 10 0 FGAELP COc1ccc2c(c1)[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)CCCS2 ZINC000187820644 496584460 /nfs/dbraw/zinc/58/44/60/496584460.db2.gz XECXMWWWKXJSFU-MAUKXSAKSA-N 2 2 350.528 3.059 10 0 FGAELP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1c[nH+]c2ccc(Br)cn12 ZINC000182075680 496660006 /nfs/dbraw/zinc/66/00/06/496660006.db2.gz ABKPUWLYCZDEFK-LSDHHAIUSA-N 2 2 363.303 3.155 10 0 FGAELP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1c[nH+]c2ccc(Br)cn12 ZINC000182075680 496660009 /nfs/dbraw/zinc/66/00/09/496660009.db2.gz ABKPUWLYCZDEFK-LSDHHAIUSA-N 2 2 363.303 3.155 10 0 FGAELP CCCCOC[C@@H](O)C[NH+]1CCC(n2c(CC)[nH+]c3ccccc32)CC1 ZINC000195209637 496850799 /nfs/dbraw/zinc/85/07/99/496850799.db2.gz RAHBRVUFTOSLPX-SFHVURJKSA-N 2 2 359.514 3.413 10 0 FGAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](CCCOCC(F)(F)F)C1 ZINC000195250056 496860112 /nfs/dbraw/zinc/86/01/12/496860112.db2.gz VYQIFKWJMDOYTL-CQSZACIVSA-N 2 2 365.465 3.174 10 0 FGAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](CCCOCC(F)(F)F)C1 ZINC000195250056 496860119 /nfs/dbraw/zinc/86/01/19/496860119.db2.gz VYQIFKWJMDOYTL-CQSZACIVSA-N 2 2 365.465 3.174 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](CCCOCC(F)(F)F)C1 ZINC000195250056 496860123 /nfs/dbraw/zinc/86/01/23/496860123.db2.gz VYQIFKWJMDOYTL-CQSZACIVSA-N 2 2 365.465 3.174 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](CCCOCC(F)(F)F)C1 ZINC000195250056 496860127 /nfs/dbraw/zinc/86/01/27/496860127.db2.gz VYQIFKWJMDOYTL-CQSZACIVSA-N 2 2 365.465 3.174 10 0 FGAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](CCOc2ccccc2F)C1 ZINC000195264552 496867807 /nfs/dbraw/zinc/86/78/07/496867807.db2.gz ZPBOXIKYGHNLJS-INIZCTEOSA-N 2 2 363.502 3.423 10 0 FGAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](CCOc2ccccc2F)C1 ZINC000195264552 496867810 /nfs/dbraw/zinc/86/78/10/496867810.db2.gz ZPBOXIKYGHNLJS-INIZCTEOSA-N 2 2 363.502 3.423 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](CCOc2ccccc2F)C1 ZINC000195264552 496867813 /nfs/dbraw/zinc/86/78/13/496867813.db2.gz ZPBOXIKYGHNLJS-INIZCTEOSA-N 2 2 363.502 3.423 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](CCOc2ccccc2F)C1 ZINC000195264552 496867816 /nfs/dbraw/zinc/86/78/16/496867816.db2.gz ZPBOXIKYGHNLJS-INIZCTEOSA-N 2 2 363.502 3.423 10 0 FGAELP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195291927 496878245 /nfs/dbraw/zinc/87/82/45/496878245.db2.gz KGKXKEUVSBONAK-CEWLAPEOSA-N 2 2 372.557 3.015 10 0 FGAELP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195291927 496878248 /nfs/dbraw/zinc/87/82/48/496878248.db2.gz KGKXKEUVSBONAK-CEWLAPEOSA-N 2 2 372.557 3.015 10 0 FGAELP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195291927 496878252 /nfs/dbraw/zinc/87/82/52/496878252.db2.gz KGKXKEUVSBONAK-CEWLAPEOSA-N 2 2 372.557 3.015 10 0 FGAELP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195291927 496878256 /nfs/dbraw/zinc/87/82/56/496878256.db2.gz KGKXKEUVSBONAK-CEWLAPEOSA-N 2 2 372.557 3.015 10 0 FGAELP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195291905 496878673 /nfs/dbraw/zinc/87/86/73/496878673.db2.gz KGKXKEUVSBONAK-HMXCVIKNSA-N 2 2 372.557 3.015 10 0 FGAELP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195291905 496878674 /nfs/dbraw/zinc/87/86/74/496878674.db2.gz KGKXKEUVSBONAK-HMXCVIKNSA-N 2 2 372.557 3.015 10 0 FGAELP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195291905 496878675 /nfs/dbraw/zinc/87/86/75/496878675.db2.gz KGKXKEUVSBONAK-HMXCVIKNSA-N 2 2 372.557 3.015 10 0 FGAELP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195291905 496878676 /nfs/dbraw/zinc/87/86/76/496878676.db2.gz KGKXKEUVSBONAK-HMXCVIKNSA-N 2 2 372.557 3.015 10 0 FGAELP Cc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195300918 496880706 /nfs/dbraw/zinc/88/07/06/496880706.db2.gz WBOSYNXLOOMPAF-AZUAARDMSA-N 2 2 366.509 3.171 10 0 FGAELP Cc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195300918 496880710 /nfs/dbraw/zinc/88/07/10/496880710.db2.gz WBOSYNXLOOMPAF-AZUAARDMSA-N 2 2 366.509 3.171 10 0 FGAELP Cc1ccccc1NC(=O)[C@H](C)[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195300918 496880713 /nfs/dbraw/zinc/88/07/13/496880713.db2.gz WBOSYNXLOOMPAF-AZUAARDMSA-N 2 2 366.509 3.171 10 0 FGAELP Cc1ccccc1NC(=O)[C@H](C)[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195300918 496880717 /nfs/dbraw/zinc/88/07/17/496880717.db2.gz WBOSYNXLOOMPAF-AZUAARDMSA-N 2 2 366.509 3.171 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)N[C@H](c2ccccc2)C2CC2)C1 ZINC000247778509 496914368 /nfs/dbraw/zinc/91/43/68/496914368.db2.gz RHNGEKFRMQOPDF-SIKLNZKXSA-N 2 2 366.509 3.350 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)N[C@H](c2ccccc2)C2CC2)C1 ZINC000247778509 496914376 /nfs/dbraw/zinc/91/43/76/496914376.db2.gz RHNGEKFRMQOPDF-SIKLNZKXSA-N 2 2 366.509 3.350 10 0 FGAELP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000229585181 497098750 /nfs/dbraw/zinc/09/87/50/497098750.db2.gz MFXNZPJZLQQHIE-LLVKDONJSA-N 2 2 362.109 3.395 10 0 FGAELP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000229585181 497098757 /nfs/dbraw/zinc/09/87/57/497098757.db2.gz MFXNZPJZLQQHIE-LLVKDONJSA-N 2 2 362.109 3.395 10 0 FGAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000190474176 497494114 /nfs/dbraw/zinc/49/41/14/497494114.db2.gz LZEHGDHRTGGGRN-LJQANCHMSA-N 2 2 361.493 3.426 10 0 FGAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000190474176 497494120 /nfs/dbraw/zinc/49/41/20/497494120.db2.gz LZEHGDHRTGGGRN-LJQANCHMSA-N 2 2 361.493 3.426 10 0 FGAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000190474176 497494125 /nfs/dbraw/zinc/49/41/25/497494125.db2.gz LZEHGDHRTGGGRN-LJQANCHMSA-N 2 2 361.493 3.426 10 0 FGAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000190474176 497494132 /nfs/dbraw/zinc/49/41/32/497494132.db2.gz LZEHGDHRTGGGRN-LJQANCHMSA-N 2 2 361.493 3.426 10 0 FGAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](c2ccccc2)c2ccccn2)nc[nH+]1 ZINC000245953022 497581876 /nfs/dbraw/zinc/58/18/76/497581876.db2.gz LJJAHUXETQDDAI-PGRDOPGGSA-N 2 2 374.492 3.261 10 0 FGAELP C[C@@H](C(=O)NCCC1=CCCCC1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246163073 497643372 /nfs/dbraw/zinc/64/33/72/497643372.db2.gz RAXSUIVTFMGVTF-HKUYNNGSSA-N 2 2 356.514 3.211 10 0 FGAELP C[C@@H](C(=O)NCCC1=CCCCC1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246163073 497643377 /nfs/dbraw/zinc/64/33/77/497643377.db2.gz RAXSUIVTFMGVTF-HKUYNNGSSA-N 2 2 356.514 3.211 10 0 FGAELP CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246186585 497652702 /nfs/dbraw/zinc/65/27/02/497652702.db2.gz VPTVFOUXMJYDMZ-IRXDYDNUSA-N 2 2 352.482 3.405 10 0 FGAELP CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246186585 497652703 /nfs/dbraw/zinc/65/27/03/497652703.db2.gz VPTVFOUXMJYDMZ-IRXDYDNUSA-N 2 2 352.482 3.405 10 0 FGAELP CC(C)c1nc(NC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)nc(N(C)C)[nH+]1 ZINC000301977275 498353331 /nfs/dbraw/zinc/35/33/31/498353331.db2.gz WNMGEIVYLXFDCG-WMZOPIPTSA-N 2 2 368.529 3.384 10 0 FGAELP CC(C)c1nc(NC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)nc(N(C)C)[nH+]1 ZINC000301977275 498353337 /nfs/dbraw/zinc/35/33/37/498353337.db2.gz WNMGEIVYLXFDCG-WMZOPIPTSA-N 2 2 368.529 3.384 10 0 FGAELP CC[C@@H]1CN(c2cncc(-n3cc[nH+]c3C)n2)CC[N@@H+]1Cc1ccccc1 ZINC000302150410 498418956 /nfs/dbraw/zinc/41/89/56/498418956.db2.gz JYTDDGHWIAARAK-LJQANCHMSA-N 2 2 362.481 3.072 10 0 FGAELP CC[C@@H]1CN(c2cncc(-n3cc[nH+]c3C)n2)CC[N@H+]1Cc1ccccc1 ZINC000302150410 498418963 /nfs/dbraw/zinc/41/89/63/498418963.db2.gz JYTDDGHWIAARAK-LJQANCHMSA-N 2 2 362.481 3.072 10 0 FGAELP Cc1[nH+]ccn1-c1cncc(NCC[N@@H+]2CCc3c(Cl)cccc3C2)n1 ZINC000302612701 498518628 /nfs/dbraw/zinc/51/86/28/498518628.db2.gz BWGRXSFSEJOYIK-UHFFFAOYSA-N 2 2 368.872 3.094 10 0 FGAELP Cc1[nH+]ccn1-c1cncc(NCC[N@H+]2CCc3c(Cl)cccc3C2)n1 ZINC000302612701 498518633 /nfs/dbraw/zinc/51/86/33/498518633.db2.gz BWGRXSFSEJOYIK-UHFFFAOYSA-N 2 2 368.872 3.094 10 0 FGAELP COc1ccc(C[N@@H+]2CCC[C@H]2c2cc(C)no2)cc1C[NH+]1CCOCC1 ZINC000064984319 221161560 /nfs/dbraw/zinc/16/15/60/221161560.db2.gz BGQOZNBREWSIPY-IBGZPJMESA-N 2 2 371.481 3.161 10 0 FGAELP COc1ccc(C[N@H+]2CCC[C@H]2c2cc(C)no2)cc1C[NH+]1CCOCC1 ZINC000064984319 221161561 /nfs/dbraw/zinc/16/15/61/221161561.db2.gz BGQOZNBREWSIPY-IBGZPJMESA-N 2 2 371.481 3.161 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccc(OC)c(OC)c2OC)C1 ZINC000122864415 495042706 /nfs/dbraw/zinc/04/27/06/495042706.db2.gz RGKVIGJUEYDCHD-MRXNPFEDSA-N 2 2 359.470 3.308 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccc(OC)c(OC)c2OC)C1 ZINC000122864415 495042708 /nfs/dbraw/zinc/04/27/08/495042708.db2.gz RGKVIGJUEYDCHD-MRXNPFEDSA-N 2 2 359.470 3.308 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cc(OC)c3c(c2)OCCO3)C1 ZINC000122868280 495043541 /nfs/dbraw/zinc/04/35/41/495043541.db2.gz OFYGAYOBEGKWAN-MRXNPFEDSA-N 2 2 357.454 3.062 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cc(OC)c3c(c2)OCCO3)C1 ZINC000122868280 495043545 /nfs/dbraw/zinc/04/35/45/495043545.db2.gz OFYGAYOBEGKWAN-MRXNPFEDSA-N 2 2 357.454 3.062 10 0 FGAELP C[N@H+](Cc1ncc(-c2ccccc2)o1)C1CC[NH+](CCn2cccn2)CC1 ZINC000106130925 495418246 /nfs/dbraw/zinc/41/82/46/495418246.db2.gz PFURRZDYBIMYJQ-UHFFFAOYSA-N 2 2 365.481 3.135 10 0 FGAELP C[N@@H+](Cc1ncc(-c2ccccc2)o1)C1CC[NH+](CCn2cccn2)CC1 ZINC000106130925 495418251 /nfs/dbraw/zinc/41/82/51/495418251.db2.gz PFURRZDYBIMYJQ-UHFFFAOYSA-N 2 2 365.481 3.135 10 0 FGAELP C[N@H+](Cc1coc(-c2cccs2)n1)C1CC[NH+](CCn2cccn2)CC1 ZINC000106130624 495418820 /nfs/dbraw/zinc/41/88/20/495418820.db2.gz DUBSMJXXUSOKMO-UHFFFAOYSA-N 2 2 371.510 3.196 10 0 FGAELP C[N@@H+](Cc1coc(-c2cccs2)n1)C1CC[NH+](CCn2cccn2)CC1 ZINC000106130624 495418822 /nfs/dbraw/zinc/41/88/22/495418822.db2.gz DUBSMJXXUSOKMO-UHFFFAOYSA-N 2 2 371.510 3.196 10 0 FGAELP Cc1nc(CN2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)cs1 ZINC000106146109 495419778 /nfs/dbraw/zinc/41/97/78/495419778.db2.gz ASEKDOOEQDDTQW-UHFFFAOYSA-N 2 2 367.522 3.345 10 0 FGAELP Cc1nc(CN2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)cs1 ZINC000106146109 495419780 /nfs/dbraw/zinc/41/97/80/495419780.db2.gz ASEKDOOEQDDTQW-UHFFFAOYSA-N 2 2 367.522 3.345 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NCc2ccc(Cl)cc2)C1 ZINC000106215089 495434547 /nfs/dbraw/zinc/43/45/47/495434547.db2.gz OJNUOQVPFUWOSE-YJBOKZPZSA-N 2 2 374.916 3.441 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)NCc2ccc(Cl)cc2)C1 ZINC000106215089 495434551 /nfs/dbraw/zinc/43/45/51/495434551.db2.gz OJNUOQVPFUWOSE-YJBOKZPZSA-N 2 2 374.916 3.441 10 0 FGAELP FC(F)(F)c1ccc2c(c1)[nH+]ccc2N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000125574720 495465690 /nfs/dbraw/zinc/46/56/90/495465690.db2.gz NTJJBPPZRDVYQM-CQSZACIVSA-N 2 2 351.372 3.165 10 0 FGAELP C[C@@H](NC(=O)NCC1(C[NH+](C)C)CCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000185743525 495708271 /nfs/dbraw/zinc/70/82/71/495708271.db2.gz IPQMBWMJFXPQED-QGZVFWFLSA-N 2 2 369.513 3.355 10 0 FGAELP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171643046 495962495 /nfs/dbraw/zinc/96/24/95/495962495.db2.gz KNHUCKUCHFQJHM-IPMKNSEASA-N 2 2 366.509 3.390 10 0 FGAELP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171643046 495962498 /nfs/dbraw/zinc/96/24/98/495962498.db2.gz KNHUCKUCHFQJHM-IPMKNSEASA-N 2 2 366.509 3.390 10 0 FGAELP COc1c(C[NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)c(C)nn1C ZINC000174452051 495964105 /nfs/dbraw/zinc/96/41/05/495964105.db2.gz SNXHJSZCVHCOOL-UHFFFAOYSA-N 2 2 368.481 3.252 10 0 FGAELP COc1c(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)c(C)nn1C ZINC000174452051 495964113 /nfs/dbraw/zinc/96/41/13/495964113.db2.gz SNXHJSZCVHCOOL-UHFFFAOYSA-N 2 2 368.481 3.252 10 0 FGAELP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171647608 495966123 /nfs/dbraw/zinc/96/61/23/495966123.db2.gz MIQAUOZSIXDDRK-HUUCEWRRSA-N 2 2 358.873 3.496 10 0 FGAELP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171647608 495966126 /nfs/dbraw/zinc/96/61/26/495966126.db2.gz MIQAUOZSIXDDRK-HUUCEWRRSA-N 2 2 358.873 3.496 10 0 FGAELP Cc1cc(C)c(NC(=O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c(C)c1 ZINC000171647802 495966522 /nfs/dbraw/zinc/96/65/22/495966522.db2.gz XEOLCZNNIKWWEB-GOSISDBHSA-N 2 2 352.482 3.379 10 0 FGAELP Cc1cc(C)c(NC(=O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c(C)c1 ZINC000171647802 495966528 /nfs/dbraw/zinc/96/65/28/495966528.db2.gz XEOLCZNNIKWWEB-GOSISDBHSA-N 2 2 352.482 3.379 10 0 FGAELP Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171648143 495966630 /nfs/dbraw/zinc/96/66/30/495966630.db2.gz XTKIVRSHSQPYQV-OAHLLOKOSA-N 2 2 358.873 3.416 10 0 FGAELP Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171648143 495966639 /nfs/dbraw/zinc/96/66/39/495966639.db2.gz XTKIVRSHSQPYQV-OAHLLOKOSA-N 2 2 358.873 3.416 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccc(F)c(F)c3)C2)[nH+]1 ZINC000171650942 495970663 /nfs/dbraw/zinc/97/06/63/495970663.db2.gz DAHUNBOOEWNGLS-LSDHHAIUSA-N 2 2 374.435 3.429 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccc(F)c(F)c3)C2)[nH+]1 ZINC000171650942 495970665 /nfs/dbraw/zinc/97/06/65/495970665.db2.gz DAHUNBOOEWNGLS-LSDHHAIUSA-N 2 2 374.435 3.429 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)NCc3cccc(Cl)c3)C2)[nH+]1 ZINC000171652925 495972265 /nfs/dbraw/zinc/97/22/65/495972265.db2.gz GMKOTCWVKIENIQ-KRWDZBQOSA-N 2 2 372.900 3.094 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)NCc3cccc(Cl)c3)C2)[nH+]1 ZINC000171652925 495972269 /nfs/dbraw/zinc/97/22/69/495972269.db2.gz GMKOTCWVKIENIQ-KRWDZBQOSA-N 2 2 372.900 3.094 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)NCc3ccc(Cl)cc3)C2)[nH+]1 ZINC000171653448 495974516 /nfs/dbraw/zinc/97/45/16/495974516.db2.gz KJQNZJRVFKTCKF-QGZVFWFLSA-N 2 2 372.900 3.094 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)NCc3ccc(Cl)cc3)C2)[nH+]1 ZINC000171653448 495974520 /nfs/dbraw/zinc/97/45/20/495974520.db2.gz KJQNZJRVFKTCKF-QGZVFWFLSA-N 2 2 372.900 3.094 10 0 FGAELP Cc1ccccc1CN(C)C(=O)C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180668528 496096833 /nfs/dbraw/zinc/09/68/33/496096833.db2.gz UKJCEVCSJDEHBA-GOSISDBHSA-N 2 2 362.477 3.490 10 0 FGAELP C[C@H]1CC[C@@H](NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c2ccccc21 ZINC000153080800 496346500 /nfs/dbraw/zinc/34/65/00/496346500.db2.gz OKPBTUQDGYIJNW-LAUBAEHRSA-N 2 2 372.557 3.292 10 0 FGAELP C[C@H]1CC[C@@H](NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c2ccccc21 ZINC000153080800 496346506 /nfs/dbraw/zinc/34/65/06/496346506.db2.gz OKPBTUQDGYIJNW-LAUBAEHRSA-N 2 2 372.557 3.292 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000178305631 496406307 /nfs/dbraw/zinc/40/63/07/496406307.db2.gz GRUBWHDCECBSQK-OAQYLSRUSA-N 2 2 366.509 3.482 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000178305631 496406312 /nfs/dbraw/zinc/40/63/12/496406312.db2.gz GRUBWHDCECBSQK-OAQYLSRUSA-N 2 2 366.509 3.482 10 0 FGAELP COc1cc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)ccc1OC(F)F ZINC000178328685 496414753 /nfs/dbraw/zinc/41/47/53/496414753.db2.gz FUYDEGCFEVEFIA-OAHLLOKOSA-N 2 2 351.397 3.466 10 0 FGAELP COc1cc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)ccc1OC(F)F ZINC000178328685 496414757 /nfs/dbraw/zinc/41/47/57/496414757.db2.gz FUYDEGCFEVEFIA-OAHLLOKOSA-N 2 2 351.397 3.466 10 0 FGAELP COC(=O)c1ccc(F)c(C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)c1 ZINC000181949998 496609325 /nfs/dbraw/zinc/60/93/25/496609325.db2.gz NNKLEJDVPFTHDK-HNNXBMFYSA-N 2 2 357.429 3.250 10 0 FGAELP COC(=O)c1ccc(F)c(C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)c1 ZINC000181949998 496609329 /nfs/dbraw/zinc/60/93/29/496609329.db2.gz NNKLEJDVPFTHDK-HNNXBMFYSA-N 2 2 357.429 3.250 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000247205560 496805810 /nfs/dbraw/zinc/80/58/10/496805810.db2.gz XLOIAFREQBPPEN-TUNNFDKTSA-N 2 2 369.509 3.111 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000247205560 496805812 /nfs/dbraw/zinc/80/58/12/496805812.db2.gz XLOIAFREQBPPEN-TUNNFDKTSA-N 2 2 369.509 3.111 10 0 FGAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](Cc2cccc(Cl)n2)C1 ZINC000195263209 496868130 /nfs/dbraw/zinc/86/81/30/496868130.db2.gz JEIMUERVTXSTHP-CQSZACIVSA-N 2 2 350.919 3.454 10 0 FGAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc(Cl)n2)C1 ZINC000195263209 496868138 /nfs/dbraw/zinc/86/81/38/496868138.db2.gz JEIMUERVTXSTHP-CQSZACIVSA-N 2 2 350.919 3.454 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(Cl)n2)C1 ZINC000195263209 496868139 /nfs/dbraw/zinc/86/81/39/496868139.db2.gz JEIMUERVTXSTHP-CQSZACIVSA-N 2 2 350.919 3.454 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC000195263209 496868144 /nfs/dbraw/zinc/86/81/44/496868144.db2.gz JEIMUERVTXSTHP-CQSZACIVSA-N 2 2 350.919 3.454 10 0 FGAELP COC(=O)c1oc([C@H](C)[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)cc1C ZINC000195274419 496871238 /nfs/dbraw/zinc/87/12/38/496871238.db2.gz KRNVVRLTLKDBIN-FUHWJXTLSA-N 2 2 371.481 3.285 10 0 FGAELP COC(=O)c1oc([C@H](C)[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)cc1C ZINC000195274419 496871242 /nfs/dbraw/zinc/87/12/42/496871242.db2.gz KRNVVRLTLKDBIN-FUHWJXTLSA-N 2 2 371.481 3.285 10 0 FGAELP COC(=O)c1oc([C@H](C)[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)cc1C ZINC000195274419 496871245 /nfs/dbraw/zinc/87/12/45/496871245.db2.gz KRNVVRLTLKDBIN-FUHWJXTLSA-N 2 2 371.481 3.285 10 0 FGAELP COC(=O)c1oc([C@H](C)[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)cc1C ZINC000195274419 496871250 /nfs/dbraw/zinc/87/12/50/496871250.db2.gz KRNVVRLTLKDBIN-FUHWJXTLSA-N 2 2 371.481 3.285 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(OC)cc2)C1 ZINC000247568927 496891170 /nfs/dbraw/zinc/89/11/70/496891170.db2.gz GYGMVOCZGPNOIY-WBVHZDCISA-N 2 2 356.470 3.118 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc(OC)cc2)C1 ZINC000247568927 496891174 /nfs/dbraw/zinc/89/11/74/496891174.db2.gz GYGMVOCZGPNOIY-WBVHZDCISA-N 2 2 356.470 3.118 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NC[C@@H](C)c2ccccc2)C1 ZINC000247818316 496919074 /nfs/dbraw/zinc/91/90/74/496919074.db2.gz WRFSVQZUTWXVQU-QWFCFKBJSA-N 2 2 368.525 3.391 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)NC[C@@H](C)c2ccccc2)C1 ZINC000247818316 496919076 /nfs/dbraw/zinc/91/90/76/496919076.db2.gz WRFSVQZUTWXVQU-QWFCFKBJSA-N 2 2 368.525 3.391 10 0 FGAELP CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000236875098 497161980 /nfs/dbraw/zinc/16/19/80/497161980.db2.gz KWENAYCOLNATEX-IDHHARJASA-N 2 2 365.468 3.078 10 0 FGAELP [NH3+][C@@H]1CCC[C@H](C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000237901953 497311469 /nfs/dbraw/zinc/31/14/69/497311469.db2.gz BYDZOJZDIQIYFD-IAOVAPTHSA-N 2 2 367.896 3.077 10 0 FGAELP [NH3+][C@@H]1CCC[C@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000237901953 497311475 /nfs/dbraw/zinc/31/14/75/497311475.db2.gz BYDZOJZDIQIYFD-IAOVAPTHSA-N 2 2 367.896 3.077 10 0 FGAELP Cc1nn(C(C)C)cc1C[N@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000262006210 497491125 /nfs/dbraw/zinc/49/11/25/497491125.db2.gz UORRWTQJCVSJEA-KRWDZBQOSA-N 2 2 359.543 3.373 10 0 FGAELP Cc1nn(C(C)C)cc1C[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000262006210 497491129 /nfs/dbraw/zinc/49/11/29/497491129.db2.gz UORRWTQJCVSJEA-KRWDZBQOSA-N 2 2 359.543 3.373 10 0 FGAELP CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000262280796 497534164 /nfs/dbraw/zinc/53/41/64/497534164.db2.gz KWENAYCOLNATEX-URLQWDBASA-N 2 2 365.468 3.078 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3cc(F)ccc3F)C2)[nH+]1 ZINC000246108601 497624169 /nfs/dbraw/zinc/62/41/69/497624169.db2.gz JBSALAGBDHRRTP-HUUCEWRRSA-N 2 2 374.435 3.429 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@H+]([C@H](C)C(=O)Nc3cc(F)ccc3F)C2)[nH+]1 ZINC000246108601 497624171 /nfs/dbraw/zinc/62/41/71/497624171.db2.gz JBSALAGBDHRRTP-HUUCEWRRSA-N 2 2 374.435 3.429 10 0 FGAELP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1F ZINC000246203653 497659198 /nfs/dbraw/zinc/65/91/98/497659198.db2.gz XZRMMMVLTOXGNJ-HOTGVXAUSA-N 2 2 356.445 3.290 10 0 FGAELP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1F ZINC000246203653 497659203 /nfs/dbraw/zinc/65/92/03/497659203.db2.gz XZRMMMVLTOXGNJ-HOTGVXAUSA-N 2 2 356.445 3.290 10 0 FGAELP CCn1cc[nH+]c1CN(C)c1nc(-c2ccc(Cl)cc2)nc2c1C[NH2+]C2 ZINC000072119574 494128081 /nfs/dbraw/zinc/12/80/81/494128081.db2.gz YMQFRDYKGURUBD-UHFFFAOYSA-N 2 2 368.872 3.253 10 0 FGAELP CCC[NH+]1CCC(CNC(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000073952911 494455847 /nfs/dbraw/zinc/45/58/47/494455847.db2.gz IOLCCNNDPHYAEB-KRWDZBQOSA-N 2 2 369.513 3.355 10 0 FGAELP CC(C)CN(CC[NH+](C)C)C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000074875750 494637210 /nfs/dbraw/zinc/63/72/10/494637210.db2.gz HJBVXZKJDWWQBT-QGZVFWFLSA-N 2 2 357.502 3.163 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccc(-n3cncn3)c(C)c2)C1 ZINC000122843826 495039804 /nfs/dbraw/zinc/03/98/04/495039804.db2.gz IMCSWXAFPFOBAI-GOSISDBHSA-N 2 2 350.470 3.172 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccc(-n3cncn3)c(C)c2)C1 ZINC000122843826 495039808 /nfs/dbraw/zinc/03/98/08/495039808.db2.gz IMCSWXAFPFOBAI-GOSISDBHSA-N 2 2 350.470 3.172 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cc(OC)c3c(c2)OCCO3)C1 ZINC000122868501 495043696 /nfs/dbraw/zinc/04/36/96/495043696.db2.gz OFYGAYOBEGKWAN-INIZCTEOSA-N 2 2 357.454 3.062 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cc(OC)c3c(c2)OCCO3)C1 ZINC000122868501 495043700 /nfs/dbraw/zinc/04/37/00/495043700.db2.gz OFYGAYOBEGKWAN-INIZCTEOSA-N 2 2 357.454 3.062 10 0 FGAELP CC[C@@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(OC)cc1 ZINC000098143827 495061762 /nfs/dbraw/zinc/06/17/62/495061762.db2.gz YUFPOTGKIXCXAC-RBBKRZOGSA-N 2 2 354.494 3.155 10 0 FGAELP CC[C@@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(OC)cc1 ZINC000098143827 495061765 /nfs/dbraw/zinc/06/17/65/495061765.db2.gz YUFPOTGKIXCXAC-RBBKRZOGSA-N 2 2 354.494 3.155 10 0 FGAELP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2cc3cc(OC)ccc3o2)nc[nH+]1 ZINC000125121877 495394139 /nfs/dbraw/zinc/39/41/39/495394139.db2.gz MSPITMKTXTWYEC-HNNXBMFYSA-N 2 2 367.453 3.032 10 0 FGAELP Cc1ccccc1OCCC[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106128673 495418667 /nfs/dbraw/zinc/41/86/67/495418667.db2.gz WEGIBXARZMHGIL-UHFFFAOYSA-N 2 2 356.514 3.057 10 0 FGAELP Cc1ccccc1OCCC[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106128673 495418668 /nfs/dbraw/zinc/41/86/68/495418668.db2.gz WEGIBXARZMHGIL-UHFFFAOYSA-N 2 2 356.514 3.057 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)Nc2cccc3c2N=S=N3)C1 ZINC000106217198 495434244 /nfs/dbraw/zinc/43/42/44/495434244.db2.gz JFRXBVANSAKYBQ-ZDUSSCGKSA-N 2 2 370.482 3.448 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)Nc2cccc3c2N=S=N3)C1 ZINC000106217198 495434249 /nfs/dbraw/zinc/43/42/49/495434249.db2.gz JFRXBVANSAKYBQ-ZDUSSCGKSA-N 2 2 370.482 3.448 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NC[C@@H](C)c2ccccc2)C1 ZINC000106216621 495434803 /nfs/dbraw/zinc/43/48/03/495434803.db2.gz WRFSVQZUTWXVQU-WSTZPKSXSA-N 2 2 368.525 3.391 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NC[C@@H](C)c2ccccc2)C1 ZINC000106216621 495434807 /nfs/dbraw/zinc/43/48/07/495434807.db2.gz WRFSVQZUTWXVQU-WSTZPKSXSA-N 2 2 368.525 3.391 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NCc2ccc(C)cc2)C1 ZINC000106215336 495434856 /nfs/dbraw/zinc/43/48/56/495434856.db2.gz JNWYTLXEFAQMMS-PKOBYXMFSA-N 2 2 354.498 3.096 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NCc2ccc(C)cc2)C1 ZINC000106215336 495434860 /nfs/dbraw/zinc/43/48/60/495434860.db2.gz JNWYTLXEFAQMMS-PKOBYXMFSA-N 2 2 354.498 3.096 10 0 FGAELP CCOc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000106216744 495435171 /nfs/dbraw/zinc/43/51/71/495435171.db2.gz HJOXEKRTIMFQMF-MRXNPFEDSA-N 2 2 356.470 3.120 10 0 FGAELP CCOc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000106216744 495435177 /nfs/dbraw/zinc/43/51/77/495435177.db2.gz HJOXEKRTIMFQMF-MRXNPFEDSA-N 2 2 356.470 3.120 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(SC)c2)C1 ZINC000106217724 495436592 /nfs/dbraw/zinc/43/65/92/495436592.db2.gz MJJAVGHBYRUWTK-MRXNPFEDSA-N 2 2 358.511 3.443 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(SC)c2)C1 ZINC000106217724 495436593 /nfs/dbraw/zinc/43/65/93/495436593.db2.gz MJJAVGHBYRUWTK-MRXNPFEDSA-N 2 2 358.511 3.443 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2nc([C@@H](C)OCC(C)C)no2)C1 ZINC000173888086 495733061 /nfs/dbraw/zinc/73/30/61/495733061.db2.gz JNGSUZMVYVHEFO-HZPDHXFCSA-N 2 2 361.490 3.399 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2nc([C@@H](C)OCC(C)C)no2)C1 ZINC000173888086 495733064 /nfs/dbraw/zinc/73/30/64/495733064.db2.gz JNGSUZMVYVHEFO-HZPDHXFCSA-N 2 2 361.490 3.399 10 0 FGAELP Cc1c([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)cnn1-c1cc(C)ccc1C ZINC000151251468 495784373 /nfs/dbraw/zinc/78/43/73/495784373.db2.gz JNOFCPYGQXXGCY-ICSRJNTNSA-N 2 2 370.541 3.295 10 0 FGAELP C[C@H](C(=O)Nc1cc(F)ccc1F)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171644214 495962521 /nfs/dbraw/zinc/96/25/21/495962521.db2.gz DEIRHNRCYKGVRE-ZIAGYGMSSA-N 2 2 360.408 3.121 10 0 FGAELP C[C@H](C(=O)Nc1cc(F)ccc1F)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171644214 495962522 /nfs/dbraw/zinc/96/25/22/495962522.db2.gz DEIRHNRCYKGVRE-ZIAGYGMSSA-N 2 2 360.408 3.121 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)Nc3cc(C(C)(C)C)no3)C2)[nH+]1 ZINC000171651319 495969756 /nfs/dbraw/zinc/96/97/56/495969756.db2.gz YXKLMZRDXKIWQI-HNNXBMFYSA-N 2 2 371.485 3.048 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)Nc3cc(C(C)(C)C)no3)C2)[nH+]1 ZINC000171651319 495969761 /nfs/dbraw/zinc/96/97/61/495969761.db2.gz YXKLMZRDXKIWQI-HNNXBMFYSA-N 2 2 371.485 3.048 10 0 FGAELP COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)cc1 ZINC000171651248 495970729 /nfs/dbraw/zinc/97/07/29/495970729.db2.gz VLERKSKJBGEJGC-IRXDYDNUSA-N 2 2 368.481 3.160 10 0 FGAELP COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)cc1 ZINC000171651248 495970731 /nfs/dbraw/zinc/97/07/31/495970731.db2.gz VLERKSKJBGEJGC-IRXDYDNUSA-N 2 2 368.481 3.160 10 0 FGAELP Cc1ccc(C)c(NC(=O)C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)c1 ZINC000171653148 495972369 /nfs/dbraw/zinc/97/23/69/495972369.db2.gz QEIYJYMJNNOMRN-GOSISDBHSA-N 2 2 352.482 3.379 10 0 FGAELP Cc1ccc(C)c(NC(=O)C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)c1 ZINC000171653148 495972376 /nfs/dbraw/zinc/97/23/76/495972376.db2.gz QEIYJYMJNNOMRN-GOSISDBHSA-N 2 2 352.482 3.379 10 0 FGAELP C[C@@H]([NH2+]C[C@H](O)COCc1ccccc1F)c1cccc(-n2cc[nH+]c2)c1 ZINC000180663875 496094504 /nfs/dbraw/zinc/09/45/04/496094504.db2.gz MGFMDQJVIVZANW-UZLBHIALSA-N 2 2 369.440 3.240 10 0 FGAELP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000247284198 496824802 /nfs/dbraw/zinc/82/48/02/496824802.db2.gz KLIPWSNPWPOPTH-MSOLQXFVSA-N 2 2 369.513 3.210 10 0 FGAELP CC(C)C[N@H+]1CC[C@@H](CNC(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000247284198 496824807 /nfs/dbraw/zinc/82/48/07/496824807.db2.gz KLIPWSNPWPOPTH-MSOLQXFVSA-N 2 2 369.513 3.210 10 0 FGAELP Cc1cc2[nH+]cn(C[C@H](O)C[NH+]3CCC(c4ccncc4)CC3)c2cc1C ZINC000191659179 496848419 /nfs/dbraw/zinc/84/84/19/496848419.db2.gz OYHWCOUWICMAFG-HXUWFJFHSA-N 2 2 364.493 3.289 10 0 FGAELP CCOc1ccc(OCC[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)cc1 ZINC000195272766 496871527 /nfs/dbraw/zinc/87/15/27/496871527.db2.gz CSVHJZVNVSLDCS-FQEVSTJZSA-N 2 2 369.509 3.313 10 0 FGAELP CCOc1ccc(OCC[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)cc1 ZINC000195272766 496871532 /nfs/dbraw/zinc/87/15/32/496871532.db2.gz CSVHJZVNVSLDCS-FQEVSTJZSA-N 2 2 369.509 3.313 10 0 FGAELP CCOc1ccc(OCC[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)cc1 ZINC000195272766 496871538 /nfs/dbraw/zinc/87/15/38/496871538.db2.gz CSVHJZVNVSLDCS-FQEVSTJZSA-N 2 2 369.509 3.313 10 0 FGAELP CCOc1ccc(OCC[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)cc1 ZINC000195272766 496871544 /nfs/dbraw/zinc/87/15/44/496871544.db2.gz CSVHJZVNVSLDCS-FQEVSTJZSA-N 2 2 369.509 3.313 10 0 FGAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC(=O)NC2CCCCCCC2)C1 ZINC000195294950 496879596 /nfs/dbraw/zinc/87/95/96/496879596.db2.gz CYJJFEJWPFZWFY-FQEVSTJZSA-N 2 2 372.557 3.064 10 0 FGAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC(=O)NC2CCCCCCC2)C1 ZINC000195294950 496879599 /nfs/dbraw/zinc/87/95/99/496879599.db2.gz CYJJFEJWPFZWFY-FQEVSTJZSA-N 2 2 372.557 3.064 10 0 FGAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CC(=O)NC2CCCCCCC2)C1 ZINC000195294950 496879600 /nfs/dbraw/zinc/87/96/00/496879600.db2.gz CYJJFEJWPFZWFY-FQEVSTJZSA-N 2 2 372.557 3.064 10 0 FGAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CC(=O)NC2CCCCCCC2)C1 ZINC000195294950 496879601 /nfs/dbraw/zinc/87/96/01/496879601.db2.gz CYJJFEJWPFZWFY-FQEVSTJZSA-N 2 2 372.557 3.064 10 0 FGAELP Cc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000189912798 497291036 /nfs/dbraw/zinc/29/10/36/497291036.db2.gz DWESYAOXTLBGHD-PXNSSMCTSA-N 2 2 351.450 3.271 10 0 FGAELP C[C@@H](c1nc(Cc2ccccc2)no1)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261866773 497464859 /nfs/dbraw/zinc/46/48/59/497464859.db2.gz WXHSOOVSRUUFNN-DBVUQKKJSA-N 2 2 362.477 3.396 10 0 FGAELP C[C@@H](c1nc(Cc2ccccc2)no1)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261866773 497464866 /nfs/dbraw/zinc/46/48/66/497464866.db2.gz WXHSOOVSRUUFNN-DBVUQKKJSA-N 2 2 362.477 3.396 10 0 FGAELP CC(C)[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)C[C@H]1CCC[NH2+]C1 ZINC000261922887 497476241 /nfs/dbraw/zinc/47/62/41/497476241.db2.gz KRIYNRNFUSDRLM-AWEZNQCLSA-N 2 2 357.420 3.354 10 0 FGAELP CC(C)[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)C[C@H]1CCC[NH2+]C1 ZINC000261922887 497476246 /nfs/dbraw/zinc/47/62/46/497476246.db2.gz KRIYNRNFUSDRLM-AWEZNQCLSA-N 2 2 357.420 3.354 10 0 FGAELP CCOc1cc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)ccc1OC ZINC000190471544 497494570 /nfs/dbraw/zinc/49/45/70/497494570.db2.gz HDKWQXNDBUQWDV-FQEVSTJZSA-N 2 2 369.509 3.443 10 0 FGAELP CCOc1cc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)ccc1OC ZINC000190471544 497494572 /nfs/dbraw/zinc/49/45/72/497494572.db2.gz HDKWQXNDBUQWDV-FQEVSTJZSA-N 2 2 369.509 3.443 10 0 FGAELP CCOc1cc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)ccc1OC ZINC000190471544 497494573 /nfs/dbraw/zinc/49/45/73/497494573.db2.gz HDKWQXNDBUQWDV-FQEVSTJZSA-N 2 2 369.509 3.443 10 0 FGAELP CCOc1cc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)ccc1OC ZINC000190471544 497494575 /nfs/dbraw/zinc/49/45/75/497494575.db2.gz HDKWQXNDBUQWDV-FQEVSTJZSA-N 2 2 369.509 3.443 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H](C)C(=O)Nc1nc2ccccc2s1 ZINC000245962142 497585772 /nfs/dbraw/zinc/58/57/72/497585772.db2.gz SNXYAQXBHYMIPN-UKRRQHHQSA-N 2 2 369.494 3.293 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H](C)C(=O)Nc1nc2ccccc2s1 ZINC000245962142 497585776 /nfs/dbraw/zinc/58/57/76/497585776.db2.gz SNXYAQXBHYMIPN-UKRRQHHQSA-N 2 2 369.494 3.293 10 0 FGAELP CSc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000245964852 497586070 /nfs/dbraw/zinc/58/60/70/497586070.db2.gz UAEZKWHWWAHDJL-ZBFHGGJFSA-N 2 2 358.511 3.405 10 0 FGAELP CSc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000245964852 497586072 /nfs/dbraw/zinc/58/60/72/497586072.db2.gz UAEZKWHWWAHDJL-ZBFHGGJFSA-N 2 2 358.511 3.405 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@@H+]([C@H](C)c3cn(-c4ccccc4)nn3)C2)[nH+]1 ZINC000245970076 497587674 /nfs/dbraw/zinc/58/76/74/497587674.db2.gz AGMKTAKSJSYAKM-QZTJIDSGSA-N 2 2 362.481 3.466 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@H+]([C@H](C)c3cn(-c4ccccc4)nn3)C2)[nH+]1 ZINC000245970076 497587678 /nfs/dbraw/zinc/58/76/78/497587678.db2.gz AGMKTAKSJSYAKM-QZTJIDSGSA-N 2 2 362.481 3.466 10 0 FGAELP C[C@H]1CCc2ccccc2N1C(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246100946 497622266 /nfs/dbraw/zinc/62/22/66/497622266.db2.gz HYMKSBGRGHTZAO-ROUUACIJSA-N 2 2 364.493 3.183 10 0 FGAELP C[C@H]1CCc2ccccc2N1C(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246100946 497622270 /nfs/dbraw/zinc/62/22/70/497622270.db2.gz HYMKSBGRGHTZAO-ROUUACIJSA-N 2 2 364.493 3.183 10 0 FGAELP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246118126 497627807 /nfs/dbraw/zinc/62/78/07/497627807.db2.gz KNHUCKUCHFQJHM-FHWLQOOXSA-N 2 2 366.509 3.390 10 0 FGAELP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246118126 497627809 /nfs/dbraw/zinc/62/78/09/497627809.db2.gz KNHUCKUCHFQJHM-FHWLQOOXSA-N 2 2 366.509 3.390 10 0 FGAELP C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)c1ccccc1Cl ZINC000246133084 497632935 /nfs/dbraw/zinc/63/29/35/497632935.db2.gz MVCCHBQOMPCXSU-CVEARBPZSA-N 2 2 372.900 3.346 10 0 FGAELP C[C@@H](NC(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)c1ccccc1Cl ZINC000246133084 497632936 /nfs/dbraw/zinc/63/29/36/497632936.db2.gz MVCCHBQOMPCXSU-CVEARBPZSA-N 2 2 372.900 3.346 10 0 FGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000246891735 497818913 /nfs/dbraw/zinc/81/89/13/497818913.db2.gz FMBSNDLSKPXOGS-CJNGLKHVSA-N 2 2 368.319 3.240 10 0 FGAELP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000246891735 497818914 /nfs/dbraw/zinc/81/89/14/497818914.db2.gz FMBSNDLSKPXOGS-CJNGLKHVSA-N 2 2 368.319 3.240 10 0 FGAELP C[C@@H](NC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C(C)(C)C[NH+](C)C ZINC000085362442 494116822 /nfs/dbraw/zinc/11/68/22/494116822.db2.gz LREQSOVUBQOSRY-JKSUJKDBSA-N 2 2 357.502 3.209 10 0 FGAELP C[C@@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccc(Cl)s1 ZINC000091229983 494566793 /nfs/dbraw/zinc/56/67/93/494566793.db2.gz KJIOZANVXWLIBP-CYBMUJFWSA-N 2 2 372.966 3.130 10 0 FGAELP C[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(Cl)s1 ZINC000091229983 494566797 /nfs/dbraw/zinc/56/67/97/494566797.db2.gz KJIOZANVXWLIBP-CYBMUJFWSA-N 2 2 372.966 3.130 10 0 FGAELP COc1cc(OC)c(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c(OC)c1 ZINC000092812775 494758453 /nfs/dbraw/zinc/75/84/53/494758453.db2.gz JGPKSCFHTDYKTR-HNNXBMFYSA-N 2 2 357.454 3.041 10 0 FGAELP COc1cc(OC)c(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c(OC)c1 ZINC000092812775 494758459 /nfs/dbraw/zinc/75/84/59/494758459.db2.gz JGPKSCFHTDYKTR-HNNXBMFYSA-N 2 2 357.454 3.041 10 0 FGAELP COc1cc2c(c(C[N@@H+]3CC[C@H](CNc4cccc[nH+]4)C3)c1)O[C@H](C)C2 ZINC000092812421 494759248 /nfs/dbraw/zinc/75/92/48/494759248.db2.gz YQPXFWKTZKPUET-HZPDHXFCSA-N 2 2 353.466 3.348 10 0 FGAELP COc1cc2c(c(C[N@H+]3CC[C@H](CNc4cccc[nH+]4)C3)c1)O[C@H](C)C2 ZINC000092812421 494759254 /nfs/dbraw/zinc/75/92/54/494759254.db2.gz YQPXFWKTZKPUET-HZPDHXFCSA-N 2 2 353.466 3.348 10 0 FGAELP COc1ccc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c(OC)c1OC ZINC000092812540 494759776 /nfs/dbraw/zinc/75/97/76/494759776.db2.gz JJXSHCVAZZDUBH-OAHLLOKOSA-N 2 2 357.454 3.041 10 0 FGAELP COc1ccc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c(OC)c1OC ZINC000092812540 494759785 /nfs/dbraw/zinc/75/97/85/494759785.db2.gz JJXSHCVAZZDUBH-OAHLLOKOSA-N 2 2 357.454 3.041 10 0 FGAELP O[C@@H](C[NH2+][C@@H]1CCSc2ccc(F)cc21)C[N@@H+]1CCc2ccccc2C1 ZINC000098144041 495061115 /nfs/dbraw/zinc/06/11/15/495061115.db2.gz UBYOGTRXWXDYFT-AZUAARDMSA-N 2 2 372.509 3.371 10 0 FGAELP O[C@@H](C[NH2+][C@@H]1CCSc2ccc(F)cc21)C[N@H+]1CCc2ccccc2C1 ZINC000098144041 495061118 /nfs/dbraw/zinc/06/11/18/495061118.db2.gz UBYOGTRXWXDYFT-AZUAARDMSA-N 2 2 372.509 3.371 10 0 FGAELP CC(C)c1nc(C[N@@H+](C)CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)no1 ZINC000106127028 495417068 /nfs/dbraw/zinc/41/70/68/495417068.db2.gz PPEMMVGBOIHFGG-IBGZPJMESA-N 2 2 372.513 3.070 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccnc2Cl)C1 ZINC000106214793 495433485 /nfs/dbraw/zinc/43/34/85/495433485.db2.gz GRSMLRMVGLHGFN-KBPBESRZSA-N 2 2 361.877 3.158 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccnc2Cl)C1 ZINC000106214793 495433490 /nfs/dbraw/zinc/43/34/90/495433490.db2.gz GRSMLRMVGLHGFN-KBPBESRZSA-N 2 2 361.877 3.158 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2nc(-c3ccc(F)cc3)no2)C1 ZINC000106217545 495436566 /nfs/dbraw/zinc/43/65/66/495436566.db2.gz GQNCKRMIGPMAMS-MRXNPFEDSA-N 2 2 355.417 3.472 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc(F)cc3)no2)C1 ZINC000106217545 495436567 /nfs/dbraw/zinc/43/65/67/495436567.db2.gz GQNCKRMIGPMAMS-MRXNPFEDSA-N 2 2 355.417 3.472 10 0 FGAELP Cc1ccc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)cc1Oc1cc[nH+]cc1 ZINC000115385918 495498168 /nfs/dbraw/zinc/49/81/68/495498168.db2.gz ZXNMAKZODNAPLI-FUHWJXTLSA-N 2 2 351.450 3.491 10 0 FGAELP Cc1ccc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1Oc1cc[nH+]cc1 ZINC000115385918 495498171 /nfs/dbraw/zinc/49/81/71/495498171.db2.gz ZXNMAKZODNAPLI-FUHWJXTLSA-N 2 2 351.450 3.491 10 0 FGAELP C[NH+]1CCC(CNC(=O)N2CCC[C@@H]2c2ccco2)([NH+]2CCCCC2)CC1 ZINC000173510163 495564733 /nfs/dbraw/zinc/56/47/33/495564733.db2.gz JLWVDOSDQSADRB-GOSISDBHSA-N 2 2 374.529 3.076 10 0 FGAELP Fc1ccc(-n2ccc(C[N@@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)n2)cc1 ZINC000173779200 495688521 /nfs/dbraw/zinc/68/85/21/495688521.db2.gz QAGDCELCJDXEMK-INIZCTEOSA-N 2 2 351.429 3.340 10 0 FGAELP Fc1ccc(-n2ccc(C[N@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)n2)cc1 ZINC000173779200 495688524 /nfs/dbraw/zinc/68/85/24/495688524.db2.gz QAGDCELCJDXEMK-INIZCTEOSA-N 2 2 351.429 3.340 10 0 FGAELP Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183153478 495858146 /nfs/dbraw/zinc/85/81/46/495858146.db2.gz JDUWSTDCQXFEPZ-BURNTYAHSA-N 2 2 365.525 3.312 10 0 FGAELP Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183153478 495858151 /nfs/dbraw/zinc/85/81/51/495858151.db2.gz JDUWSTDCQXFEPZ-BURNTYAHSA-N 2 2 365.525 3.312 10 0 FGAELP O[C@H](C[NH2+]C(c1ccc(F)cc1)c1ccc(F)cc1)C[NH+]1CCCCC1 ZINC000180210528 495908888 /nfs/dbraw/zinc/90/88/88/495908888.db2.gz CATOGIXMBJHOQV-HXUWFJFHSA-N 2 2 360.448 3.491 10 0 FGAELP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)C12CCOCC2 ZINC000186320750 495947443 /nfs/dbraw/zinc/94/74/43/495947443.db2.gz HPCNDENBYXEDJJ-FYZZASKESA-N 2 2 358.526 3.386 10 0 FGAELP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)C12CCOCC2 ZINC000186320750 495947446 /nfs/dbraw/zinc/94/74/46/495947446.db2.gz HPCNDENBYXEDJJ-FYZZASKESA-N 2 2 358.526 3.386 10 0 FGAELP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)c1ccccc1 ZINC000171646451 495965881 /nfs/dbraw/zinc/96/58/81/495965881.db2.gz IVXCWQYWXYKZFT-OKZBNKHCSA-N 2 2 352.482 3.081 10 0 FGAELP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)c1ccccc1 ZINC000171646451 495965883 /nfs/dbraw/zinc/96/58/83/495965883.db2.gz IVXCWQYWXYKZFT-OKZBNKHCSA-N 2 2 352.482 3.081 10 0 FGAELP CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C12CCOCC2 ZINC000186365326 495966622 /nfs/dbraw/zinc/96/66/22/495966622.db2.gz QTFWVPPBZYNURR-PWIZWCRZSA-N 2 2 355.482 3.497 10 0 FGAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2cc(C)ccc2OC)nc[nH+]1 ZINC000180574431 496051256 /nfs/dbraw/zinc/05/12/56/496051256.db2.gz GXEQWTLNCSKPEW-CVEARBPZSA-N 2 2 355.486 3.155 10 0 FGAELP C[C@@H](NC(=O)NCC(C)(C)[NH+]1CCCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000174689892 496063020 /nfs/dbraw/zinc/06/30/20/496063020.db2.gz SRYVTNJZQCEPTC-QGZVFWFLSA-N 2 2 369.513 3.497 10 0 FGAELP Cc1ccccc1OC[C@@H](O)C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180651757 496087459 /nfs/dbraw/zinc/08/74/59/496087459.db2.gz SBIXABHRCWGICX-PXNSSMCTSA-N 2 2 351.450 3.271 10 0 FGAELP C[C@H]([NH2+]C[C@H](O)COCc1ccccc1F)c1cccc(-n2cc[nH+]c2)c1 ZINC000180663858 496093927 /nfs/dbraw/zinc/09/39/27/496093927.db2.gz MGFMDQJVIVZANW-JXFKEZNVSA-N 2 2 369.440 3.240 10 0 FGAELP Cc1cc(C)cc(OCCC[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1 ZINC000177710679 496167995 /nfs/dbraw/zinc/16/79/95/496167995.db2.gz ZJIZPEPWZBDUJD-UHFFFAOYSA-N 2 2 370.541 3.365 10 0 FGAELP Cc1cc(C)cc(OCCC[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1 ZINC000177710679 496167998 /nfs/dbraw/zinc/16/79/98/496167998.db2.gz ZJIZPEPWZBDUJD-UHFFFAOYSA-N 2 2 370.541 3.365 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@H](O)COc1ccccc1C(C)C ZINC000178285884 496398247 /nfs/dbraw/zinc/39/82/47/496398247.db2.gz UKWVPYQABKKTKL-MOPGFXCFSA-N 2 2 357.498 3.219 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@H](O)COc1ccccc1C(C)C ZINC000178285884 496398253 /nfs/dbraw/zinc/39/82/53/496398253.db2.gz UKWVPYQABKKTKL-MOPGFXCFSA-N 2 2 357.498 3.219 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000178334873 496418082 /nfs/dbraw/zinc/41/80/82/496418082.db2.gz CAISVQLKZBPZDF-INIZCTEOSA-N 2 2 366.387 3.313 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000178334873 496418087 /nfs/dbraw/zinc/41/80/87/496418087.db2.gz CAISVQLKZBPZDF-INIZCTEOSA-N 2 2 366.387 3.313 10 0 FGAELP C[N@H+](C1CC[NH+](CCn2cccn2)CC1)[C@H]1CCCc2ccc(F)cc21 ZINC000178913763 496614384 /nfs/dbraw/zinc/61/43/84/496614384.db2.gz IXZAVMOQQJIGIO-NRFANRHFSA-N 2 2 356.489 3.496 10 0 FGAELP C[N@@H+](C1CC[NH+](CCn2cccn2)CC1)[C@H]1CCCc2ccc(F)cc21 ZINC000178913763 496614390 /nfs/dbraw/zinc/61/43/90/496614390.db2.gz IXZAVMOQQJIGIO-NRFANRHFSA-N 2 2 356.489 3.496 10 0 FGAELP C[C@@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195300931 496881416 /nfs/dbraw/zinc/88/14/16/496881416.db2.gz MXCUYZXKMDJBFH-AZUAARDMSA-N 2 2 372.557 3.015 10 0 FGAELP C[C@@H](C(=O)N(C)C1CCCCC1)[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195300931 496881420 /nfs/dbraw/zinc/88/14/20/496881420.db2.gz MXCUYZXKMDJBFH-AZUAARDMSA-N 2 2 372.557 3.015 10 0 FGAELP C[C@@H](C(=O)N(C)C1CCCCC1)[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195300931 496881425 /nfs/dbraw/zinc/88/14/25/496881425.db2.gz MXCUYZXKMDJBFH-AZUAARDMSA-N 2 2 372.557 3.015 10 0 FGAELP C[C@@H](C(=O)N(C)C1CCCCC1)[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195300931 496881429 /nfs/dbraw/zinc/88/14/29/496881429.db2.gz MXCUYZXKMDJBFH-AZUAARDMSA-N 2 2 372.557 3.015 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccnc2Cl)C1 ZINC000247567199 496890000 /nfs/dbraw/zinc/89/00/00/496890000.db2.gz GRSMLRMVGLHGFN-KGLIPLIRSA-N 2 2 361.877 3.158 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccnc2Cl)C1 ZINC000247567199 496890004 /nfs/dbraw/zinc/89/00/04/496890004.db2.gz GRSMLRMVGLHGFN-KGLIPLIRSA-N 2 2 361.877 3.158 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(Cl)cn2)C1 ZINC000247867272 496921706 /nfs/dbraw/zinc/92/17/06/496921706.db2.gz WWYCJKOXZKJRDL-UKRRQHHQSA-N 2 2 361.877 3.158 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc(Cl)cn2)C1 ZINC000247867272 496921713 /nfs/dbraw/zinc/92/17/13/496921713.db2.gz WWYCJKOXZKJRDL-UKRRQHHQSA-N 2 2 361.877 3.158 10 0 FGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000191998383 496958080 /nfs/dbraw/zinc/95/80/80/496958080.db2.gz SOKPPUKKZWKGIV-FQEVSTJZSA-N 2 2 362.481 3.072 10 0 FGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000191998383 496958084 /nfs/dbraw/zinc/95/80/84/496958084.db2.gz SOKPPUKKZWKGIV-FQEVSTJZSA-N 2 2 362.481 3.072 10 0 FGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000250672949 497269206 /nfs/dbraw/zinc/26/92/06/497269206.db2.gz YWHIDYSZQDUKMT-CJNGLKHVSA-N 2 2 368.319 3.240 10 0 FGAELP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000250672949 497269208 /nfs/dbraw/zinc/26/92/08/497269208.db2.gz YWHIDYSZQDUKMT-CJNGLKHVSA-N 2 2 368.319 3.240 10 0 FGAELP C[C@@H]([NH2+]CC(=O)NCC1(c2ccccc2)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189905133 497287708 /nfs/dbraw/zinc/28/77/08/497287708.db2.gz QBEPFPLHBGXOQI-GOSISDBHSA-N 2 2 374.488 3.371 10 0 FGAELP C[C@@H]([NH2+][C@@H](C)c1nnnn1-c1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189917408 497292725 /nfs/dbraw/zinc/29/27/25/497292725.db2.gz ZLRNBCRCOXTXBG-CVEARBPZSA-N 2 2 359.437 3.260 10 0 FGAELP Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261866721 497465313 /nfs/dbraw/zinc/46/53/13/497465313.db2.gz WVXFZPNYAKFDDS-AEFFLSMTSA-N 2 2 357.885 3.261 10 0 FGAELP Cc1cc(Cl)ccc1NC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261866721 497465317 /nfs/dbraw/zinc/46/53/17/497465317.db2.gz WVXFZPNYAKFDDS-AEFFLSMTSA-N 2 2 357.885 3.261 10 0 FGAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000190479599 497496881 /nfs/dbraw/zinc/49/68/81/497496881.db2.gz DUQUBJVXRIKEGV-OAQYLSRUSA-N 2 2 361.493 3.221 10 0 FGAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000190479599 497496887 /nfs/dbraw/zinc/49/68/87/497496887.db2.gz DUQUBJVXRIKEGV-OAQYLSRUSA-N 2 2 361.493 3.221 10 0 FGAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000190479599 497496892 /nfs/dbraw/zinc/49/68/92/497496892.db2.gz DUQUBJVXRIKEGV-OAQYLSRUSA-N 2 2 361.493 3.221 10 0 FGAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000190479599 497496898 /nfs/dbraw/zinc/49/68/98/497496898.db2.gz DUQUBJVXRIKEGV-OAQYLSRUSA-N 2 2 361.493 3.221 10 0 FGAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000190479599 497496900 /nfs/dbraw/zinc/49/69/00/497496900.db2.gz DUQUBJVXRIKEGV-OAQYLSRUSA-N 3 2 361.493 3.221 10 0 FGAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000190479599 497496907 /nfs/dbraw/zinc/49/69/07/497496907.db2.gz DUQUBJVXRIKEGV-OAQYLSRUSA-N 3 2 361.493 3.221 10 0 FGAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000190479599 497496914 /nfs/dbraw/zinc/49/69/14/497496914.db2.gz DUQUBJVXRIKEGV-OAQYLSRUSA-N 3 2 361.493 3.221 10 0 FGAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000190479599 497496920 /nfs/dbraw/zinc/49/69/20/497496920.db2.gz DUQUBJVXRIKEGV-OAQYLSRUSA-N 3 2 361.493 3.221 10 0 FGAELP COc1ccc(OC)c(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000190479689 497497235 /nfs/dbraw/zinc/49/72/35/497497235.db2.gz UWUYYUZNAFVAJC-SFHVURJKSA-N 2 2 355.482 3.053 10 0 FGAELP COc1ccc(OC)c(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000190479689 497497240 /nfs/dbraw/zinc/49/72/40/497497240.db2.gz UWUYYUZNAFVAJC-SFHVURJKSA-N 2 2 355.482 3.053 10 0 FGAELP COc1ccc(OC)c(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)c1 ZINC000190479689 497497243 /nfs/dbraw/zinc/49/72/43/497497243.db2.gz UWUYYUZNAFVAJC-SFHVURJKSA-N 2 2 355.482 3.053 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@H](C)C(=O)Nc3c(F)cccc3F)C2)[nH+]1 ZINC000246081980 497614969 /nfs/dbraw/zinc/61/49/69/497614969.db2.gz DQZYVQWVCZSWPD-CABCVRRESA-N 2 2 374.435 3.429 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@H+]([C@H](C)C(=O)Nc3c(F)cccc3F)C2)[nH+]1 ZINC000246081980 497614977 /nfs/dbraw/zinc/61/49/77/497614977.db2.gz DQZYVQWVCZSWPD-CABCVRRESA-N 2 2 374.435 3.429 10 0 FGAELP C[C@@H]1CCc2ccccc2N1C(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246100919 497621837 /nfs/dbraw/zinc/62/18/37/497621837.db2.gz HYMKSBGRGHTZAO-MSOLQXFVSA-N 2 2 364.493 3.183 10 0 FGAELP C[C@@H]1CCc2ccccc2N1C(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246100919 497621841 /nfs/dbraw/zinc/62/18/41/497621841.db2.gz HYMKSBGRGHTZAO-MSOLQXFVSA-N 2 2 364.493 3.183 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)N[C@H](C)c3cccs3)C2)[nH+]1 ZINC000246154043 497639671 /nfs/dbraw/zinc/63/96/71/497639671.db2.gz PWDKTSVPQVKFRQ-HZPDHXFCSA-N 2 2 358.511 3.063 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)N[C@H](C)c3cccs3)C2)[nH+]1 ZINC000246154043 497639677 /nfs/dbraw/zinc/63/96/77/497639677.db2.gz PWDKTSVPQVKFRQ-HZPDHXFCSA-N 2 2 358.511 3.063 10 0 FGAELP CCc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246186588 497653295 /nfs/dbraw/zinc/65/32/95/497653295.db2.gz VPTVFOUXMJYDMZ-SJORKVTESA-N 2 2 352.482 3.405 10 0 FGAELP CCc1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246186588 497653301 /nfs/dbraw/zinc/65/33/01/497653301.db2.gz VPTVFOUXMJYDMZ-SJORKVTESA-N 2 2 352.482 3.405 10 0 FGAELP O=C1[C@@H]([N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)CCCN1c1cccc(F)c1 ZINC000246723081 497804267 /nfs/dbraw/zinc/80/42/67/497804267.db2.gz GTIWSYQDWKXFDV-LPHOPBHVSA-N 2 2 368.456 3.150 10 0 FGAELP O=C1[C@@H]([N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)CCCN1c1cccc(F)c1 ZINC000246723081 497804268 /nfs/dbraw/zinc/80/42/68/497804268.db2.gz GTIWSYQDWKXFDV-LPHOPBHVSA-N 2 2 368.456 3.150 10 0 FGAELP OC[C@H]1CCCN1c1cc(NCC2([NH+]3CCCCC3)CCCCC2)nc[nH+]1 ZINC000301745312 498248952 /nfs/dbraw/zinc/24/89/52/498248952.db2.gz XCEJMUFNFDWKHJ-GOSISDBHSA-N 2 2 373.545 3.038 10 0 FGAELP C[N@H+](Cc1ccc2c(c1)CC(C)(C)O2)C1CC[NH+](CCn2cccn2)CC1 ZINC000121207634 494645903 /nfs/dbraw/zinc/64/59/03/494645903.db2.gz UHOQLENFCFZKPL-UHFFFAOYSA-N 2 2 368.525 3.193 10 0 FGAELP C[N@@H+](Cc1ccc2c(c1)CC(C)(C)O2)C1CC[NH+](CCn2cccn2)CC1 ZINC000121207634 494645909 /nfs/dbraw/zinc/64/59/09/494645909.db2.gz UHOQLENFCFZKPL-UHFFFAOYSA-N 2 2 368.525 3.193 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cn(C)nc2-c2cccnc2)C1 ZINC000122872251 495044585 /nfs/dbraw/zinc/04/45/85/495044585.db2.gz RPSMTIGEAJKUFW-SFHVURJKSA-N 2 2 350.470 3.078 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cn(C)nc2-c2cccnc2)C1 ZINC000122872251 495044591 /nfs/dbraw/zinc/04/45/91/495044591.db2.gz RPSMTIGEAJKUFW-SFHVURJKSA-N 2 2 350.470 3.078 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2OC)C1 ZINC000122901608 495049852 /nfs/dbraw/zinc/04/98/52/495049852.db2.gz KFBFLLHRRWMXDY-INIZCTEOSA-N 2 2 359.470 3.308 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cc(OC)c(OC)cc2OC)C1 ZINC000122901608 495049856 /nfs/dbraw/zinc/04/98/56/495049856.db2.gz KFBFLLHRRWMXDY-INIZCTEOSA-N 2 2 359.470 3.308 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@@H](C)c3nc(-c4cccnc4)no3)C2)[nH+]1 ZINC000112979262 495262473 /nfs/dbraw/zinc/26/24/73/495262473.db2.gz HFOSOKXGGRFTLY-HOTGVXAUSA-N 2 2 364.453 3.330 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@H+]([C@@H](C)c3nc(-c4cccnc4)no3)C2)[nH+]1 ZINC000112979262 495262475 /nfs/dbraw/zinc/26/24/75/495262475.db2.gz HFOSOKXGGRFTLY-HOTGVXAUSA-N 2 2 364.453 3.330 10 0 FGAELP CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]Cc2cccnc2-n2cc[nH+]c2)C1 ZINC000129979317 495323369 /nfs/dbraw/zinc/32/33/69/495323369.db2.gz YHRDZNKETSHCME-MRXNPFEDSA-N 2 2 371.485 3.004 10 0 FGAELP C[C@@H](NC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173953106 495761638 /nfs/dbraw/zinc/76/16/38/495761638.db2.gz KBUMUXRVCRCMBJ-QZTJIDSGSA-N 2 2 374.488 3.496 10 0 FGAELP C[C@@H](NC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173953106 495761642 /nfs/dbraw/zinc/76/16/42/495761642.db2.gz KBUMUXRVCRCMBJ-QZTJIDSGSA-N 2 2 374.488 3.496 10 0 FGAELP Cc1c([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)cnn1-c1cc(C)ccc1C ZINC000151251624 495785097 /nfs/dbraw/zinc/78/50/97/495785097.db2.gz JNOFCPYGQXXGCY-AZUAARDMSA-N 2 2 370.541 3.295 10 0 FGAELP Brc1ccc([C@H]([NH2+]CCCn2cc[nH+]c2)c2cncnc2)cc1 ZINC000186073488 495845444 /nfs/dbraw/zinc/84/54/44/495845444.db2.gz ATVDNZXORDOBFD-KRWDZBQOSA-N 2 2 372.270 3.205 10 0 FGAELP CCO[C@@H]1C[C@H]([NH2+]CCCn2c(C)[nH+]c3ccccc32)C12CCOCC2 ZINC000186207618 495896739 /nfs/dbraw/zinc/89/67/39/495896739.db2.gz XRKSNIDXRIEVLW-VQTJNVASSA-N 2 2 357.498 3.299 10 0 FGAELP CCc1nc2c(s1)[C@@H]([NH2+]C[C@H](O)C[N@@H+]1CCc3ccccc3C1)CCC2 ZINC000151789380 495947902 /nfs/dbraw/zinc/94/79/02/495947902.db2.gz VAZMKIAWIVKHKF-ROUUACIJSA-N 2 2 371.550 3.092 10 0 FGAELP CCc1nc2c(s1)[C@@H]([NH2+]C[C@H](O)C[N@H+]1CCc3ccccc3C1)CCC2 ZINC000151789380 495947909 /nfs/dbraw/zinc/94/79/09/495947909.db2.gz VAZMKIAWIVKHKF-ROUUACIJSA-N 2 2 371.550 3.092 10 0 FGAELP Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000171644593 495964080 /nfs/dbraw/zinc/96/40/80/495964080.db2.gz PQYBAJWQZUCPTJ-ZWKOTPCHSA-N 2 2 352.482 3.459 10 0 FGAELP Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000171644593 495964086 /nfs/dbraw/zinc/96/40/86/495964086.db2.gz PQYBAJWQZUCPTJ-ZWKOTPCHSA-N 2 2 352.482 3.459 10 0 FGAELP Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)c(C)c1 ZINC000171653164 495971788 /nfs/dbraw/zinc/97/17/88/495971788.db2.gz HQKBLHIPPBPTJW-SFHVURJKSA-N 2 2 352.482 3.379 10 0 FGAELP Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)c(C)c1 ZINC000171653164 495971790 /nfs/dbraw/zinc/97/17/90/495971790.db2.gz HQKBLHIPPBPTJW-SFHVURJKSA-N 2 2 352.482 3.379 10 0 FGAELP C[C@H]([NH2+]CC(=O)N1CCc2ccccc2C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180655185 496088633 /nfs/dbraw/zinc/08/86/33/496088633.db2.gz PFTQUXYWSLGCRO-KRWDZBQOSA-N 2 2 360.461 3.108 10 0 FGAELP COc1ccc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1Cl ZINC000157050261 496393885 /nfs/dbraw/zinc/39/38/85/496393885.db2.gz OXKBTXHSQSRYLM-UHFFFAOYSA-N 2 2 362.905 3.142 10 0 FGAELP COc1ccc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1Cl ZINC000157050261 496393890 /nfs/dbraw/zinc/39/38/90/496393890.db2.gz OXKBTXHSQSRYLM-UHFFFAOYSA-N 2 2 362.905 3.142 10 0 FGAELP CCc1cccc(CC)c1NC(=O)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178299475 496404354 /nfs/dbraw/zinc/40/43/54/496404354.db2.gz IXZDHHPKYQSSPL-LJQANCHMSA-N 2 2 354.498 3.419 10 0 FGAELP CCc1cccc(CC)c1NC(=O)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178299475 496404359 /nfs/dbraw/zinc/40/43/59/496404359.db2.gz IXZDHHPKYQSSPL-LJQANCHMSA-N 2 2 354.498 3.419 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@H](O)COc1ccc2ccccc2c1 ZINC000178328098 496415147 /nfs/dbraw/zinc/41/51/47/496415147.db2.gz BYLRSJRJRWUIGO-RTWAWAEBSA-N 2 2 365.477 3.249 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@H](O)COc1ccc2ccccc2c1 ZINC000178328098 496415151 /nfs/dbraw/zinc/41/51/51/496415151.db2.gz BYLRSJRJRWUIGO-RTWAWAEBSA-N 2 2 365.477 3.249 10 0 FGAELP C[C@H](c1nccs1)[NH+]1CCN(CC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC000187555364 496488225 /nfs/dbraw/zinc/48/82/25/496488225.db2.gz YPAKUXKQZQWXPU-MRXNPFEDSA-N 2 2 362.518 3.093 10 0 FGAELP C[C@H](c1nccs1)[NH+]1CCN(CC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC000187555364 496488230 /nfs/dbraw/zinc/48/82/30/496488230.db2.gz YPAKUXKQZQWXPU-MRXNPFEDSA-N 2 2 362.518 3.093 10 0 FGAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2cnn(C(C)(C)C)c2C)nc[nH+]1 ZINC000191357140 496736468 /nfs/dbraw/zinc/73/64/68/496736468.db2.gz XADYUKQPXUFQAV-GOEBONIOSA-N 2 2 371.533 3.098 10 0 FGAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(Cc2cn3cc(C)ccc3[nH+]2)C1 ZINC000195264141 496867997 /nfs/dbraw/zinc/86/79/97/496867997.db2.gz QNJFATFGSWUQBS-KRWDZBQOSA-N 2 2 369.538 3.362 10 0 FGAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(Cc2cn3cc(C)ccc3[nH+]2)C1 ZINC000195264141 496868000 /nfs/dbraw/zinc/86/80/00/496868000.db2.gz QNJFATFGSWUQBS-KRWDZBQOSA-N 2 2 369.538 3.362 10 0 FGAELP CCO[C@@H]1C[C@H]([NH2+]C[C@H](c2cccs2)[NH+]2CCCC2)C12CCOCC2 ZINC000248985716 497144988 /nfs/dbraw/zinc/14/49/88/497144988.db2.gz JVXPTLSPGYXBHX-NZSAHSFTSA-N 2 2 364.555 3.449 10 0 FGAELP CC(C)c1nnc(C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)n1C ZINC000189959558 497306284 /nfs/dbraw/zinc/30/62/84/497306284.db2.gz OFCOFCGHMTYOCS-IRXDYDNUSA-N 2 2 355.530 3.185 10 0 FGAELP COC(=O)[C@@H](c1ccccc1F)[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000245444564 497409777 /nfs/dbraw/zinc/40/97/77/497409777.db2.gz JTHBFKUJMWZBFH-HNAYVOBHSA-N 2 2 357.429 3.177 10 0 FGAELP COC(=O)[C@@H](c1ccccc1F)[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000245444564 497409784 /nfs/dbraw/zinc/40/97/84/497409784.db2.gz JTHBFKUJMWZBFH-HNAYVOBHSA-N 2 2 357.429 3.177 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000245537796 497444514 /nfs/dbraw/zinc/44/45/14/497444514.db2.gz JEDLXWSOHZIDSM-TZIWHRDSSA-N 2 2 355.482 3.414 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000245537796 497444522 /nfs/dbraw/zinc/44/45/22/497444522.db2.gz JEDLXWSOHZIDSM-TZIWHRDSSA-N 2 2 355.482 3.414 10 0 FGAELP c1csc(C[N@H+](Cc2cccc3c2OCO3)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000261802542 497454342 /nfs/dbraw/zinc/45/43/42/497454342.db2.gz VZGXUGAJINMUAC-INIZCTEOSA-N 2 2 357.479 3.016 10 0 FGAELP c1csc(C[N@@H+](Cc2cccc3c2OCO3)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000261802542 497454344 /nfs/dbraw/zinc/45/43/44/497454344.db2.gz VZGXUGAJINMUAC-INIZCTEOSA-N 2 2 357.479 3.016 10 0 FGAELP CCN(C)c1ccc(C[N@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cn1 ZINC000261935725 497478677 /nfs/dbraw/zinc/47/86/77/497478677.db2.gz LZRVCLNCJIPUAV-QGZVFWFLSA-N 2 2 371.554 3.139 10 0 FGAELP CCN(C)c1ccc(C[N@@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cn1 ZINC000261935725 497478680 /nfs/dbraw/zinc/47/86/80/497478680.db2.gz LZRVCLNCJIPUAV-QGZVFWFLSA-N 2 2 371.554 3.139 10 0 FGAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc3c(c2)CCO3)C1 ZINC000190461727 497488523 /nfs/dbraw/zinc/48/85/23/497488523.db2.gz OKWOAVXWDUUMEO-KRWDZBQOSA-N 2 2 357.523 3.340 10 0 FGAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc3c(c2)CCO3)C1 ZINC000190461727 497488525 /nfs/dbraw/zinc/48/85/25/497488525.db2.gz OKWOAVXWDUUMEO-KRWDZBQOSA-N 2 2 357.523 3.340 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000190461727 497488528 /nfs/dbraw/zinc/48/85/28/497488528.db2.gz OKWOAVXWDUUMEO-KRWDZBQOSA-N 2 2 357.523 3.340 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000190461727 497488529 /nfs/dbraw/zinc/48/85/29/497488529.db2.gz OKWOAVXWDUUMEO-KRWDZBQOSA-N 2 2 357.523 3.340 10 0 FGAELP C[C@H]([NH2+]C1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CCCC1)c1ccccc1 ZINC000262036115 497496225 /nfs/dbraw/zinc/49/62/25/497496225.db2.gz XZKMECNCCXQLPO-VXSCBNMQSA-N 3 2 371.569 3.397 10 0 FGAELP O[C@@H](C[NH2+][C@@H](c1ccc(Br)s1)C1CC1)C[NH+]1CCCCC1 ZINC000190592153 497537270 /nfs/dbraw/zinc/53/72/70/497537270.db2.gz TXUDEUQPJQFDRE-XJKSGUPXSA-N 2 2 373.360 3.398 10 0 FGAELP C[C@H](CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)c1ccccc1 ZINC000246098059 497620723 /nfs/dbraw/zinc/62/07/23/497620723.db2.gz HQVOYLSXISHTSB-QYZOEREBSA-N 2 2 366.509 3.124 10 0 FGAELP C[C@H](CNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)c1ccccc1 ZINC000246098059 497620726 /nfs/dbraw/zinc/62/07/26/497620726.db2.gz HQVOYLSXISHTSB-QYZOEREBSA-N 2 2 366.509 3.124 10 0 FGAELP COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)cc1 ZINC000246184664 497651639 /nfs/dbraw/zinc/65/16/39/497651639.db2.gz VLERKSKJBGEJGC-IAGOWNOFSA-N 2 2 368.481 3.160 10 0 FGAELP COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)cc1 ZINC000246184664 497651644 /nfs/dbraw/zinc/65/16/44/497651644.db2.gz VLERKSKJBGEJGC-IAGOWNOFSA-N 2 2 368.481 3.160 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H]2CCN(c3ccccc3F)C2=O)C1 ZINC000246566285 497776707 /nfs/dbraw/zinc/77/67/07/497776707.db2.gz LDRAHQJBIWCAJU-YJBOKZPZSA-N 2 2 356.445 3.027 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H]2CCN(c3ccccc3F)C2=O)C1 ZINC000246566285 497776712 /nfs/dbraw/zinc/77/67/12/497776712.db2.gz LDRAHQJBIWCAJU-YJBOKZPZSA-N 2 2 356.445 3.027 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H]2CCN(c3ccccc3F)C2=O)C1 ZINC000246566272 497777148 /nfs/dbraw/zinc/77/71/48/497777148.db2.gz LDRAHQJBIWCAJU-QAPCUYQASA-N 2 2 356.445 3.027 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H]2CCN(c3ccccc3F)C2=O)C1 ZINC000246566272 497777149 /nfs/dbraw/zinc/77/71/49/497777149.db2.gz LDRAHQJBIWCAJU-QAPCUYQASA-N 2 2 356.445 3.027 10 0 FGAELP Cn1cc([C@@H](CNc2cc[nH+]c3ccc(Br)cc23)[NH+](C)C)cn1 ZINC000301298748 498046439 /nfs/dbraw/zinc/04/64/39/498046439.db2.gz TUKHSGRCYNFOJA-QGZVFWFLSA-N 2 2 374.286 3.446 10 0 FGAELP C[C@@H]1CCCN(c2cc(NCC3CCN(c4cc[nH+]cc4)CC3)[nH+]cn2)C1 ZINC000301947748 498340318 /nfs/dbraw/zinc/34/03/18/498340318.db2.gz AQJBTQQBVPFWRA-QGZVFWFLSA-N 2 2 366.513 3.436 10 0 FGAELP C[C@@H]1CCCN(c2cc(NCC3CCN(c4cc[nH+]cc4)CC3)nc[nH+]2)C1 ZINC000301947748 498340323 /nfs/dbraw/zinc/34/03/23/498340323.db2.gz AQJBTQQBVPFWRA-QGZVFWFLSA-N 2 2 366.513 3.436 10 0 FGAELP Cc1cc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc(C)c1O ZINC000390657379 499555266 /nfs/dbraw/zinc/55/52/66/499555266.db2.gz KZNUKZDUHFJQMH-OAQYLSRUSA-N 2 2 354.494 3.390 10 0 FGAELP Cc1cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc(C)c1O ZINC000390657379 499555267 /nfs/dbraw/zinc/55/52/67/499555267.db2.gz KZNUKZDUHFJQMH-OAQYLSRUSA-N 2 2 354.494 3.390 10 0 FGAELP CC(C)[N@@H+]1C[C@H](C)[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC000246184425 713619034 /nfs/dbraw/zinc/61/90/34/713619034.db2.gz HIBIWOURWQBWMB-XWDNEUNKSA-N 2 2 351.535 3.235 10 0 FGAELP CC(C)[N@H+]1C[C@H](C)[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC000246184425 713619040 /nfs/dbraw/zinc/61/90/40/713619040.db2.gz HIBIWOURWQBWMB-XWDNEUNKSA-N 2 2 351.535 3.235 10 0 FGAELP Cc1[nH+]ccn1-c1ccc([C@@H](C)[N@@H+]2CCC[C@@]3(CCS(=O)(=O)C3)C2)cc1 ZINC000333380821 257386531 /nfs/dbraw/zinc/38/65/31/257386531.db2.gz BDJLEPQCDWJFSZ-OXQOHEQNSA-N 2 2 373.522 3.142 10 0 FGAELP Cc1[nH+]ccn1-c1ccc([C@@H](C)[N@H+]2CCC[C@@]3(CCS(=O)(=O)C3)C2)cc1 ZINC000333380821 257386532 /nfs/dbraw/zinc/38/65/32/257386532.db2.gz BDJLEPQCDWJFSZ-OXQOHEQNSA-N 2 2 373.522 3.142 10 0 FGAELP Fc1cccc(C[NH+]2CCC([C@H]3CC[N@H+](Cc4ncc[nH]4)C3)CC2)c1F ZINC000012432623 494232847 /nfs/dbraw/zinc/23/28/47/494232847.db2.gz ZFRZWLNINOFWSH-INIZCTEOSA-N 2 2 360.452 3.422 10 0 FGAELP Fc1cccc(C[NH+]2CCC([C@H]3CC[N@@H+](Cc4ncc[nH]4)C3)CC2)c1F ZINC000012432623 494232851 /nfs/dbraw/zinc/23/28/51/494232851.db2.gz ZFRZWLNINOFWSH-INIZCTEOSA-N 2 2 360.452 3.422 10 0 FGAELP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+][C@H](CC(C)C)C[NH+](C)C)cc1 ZINC000120348058 495357820 /nfs/dbraw/zinc/35/78/20/495357820.db2.gz ZUXZSZVLYSFIHM-CRAIPNDOSA-N 2 2 355.548 3.075 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2nc(-c3ccc(OC)cc3)no2)C1 ZINC000106216147 495434072 /nfs/dbraw/zinc/43/40/72/495434072.db2.gz LFRNUPIJQAXVFJ-INIZCTEOSA-N 2 2 367.453 3.341 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2nc(-c3ccc(OC)cc3)no2)C1 ZINC000106216147 495434074 /nfs/dbraw/zinc/43/40/74/495434074.db2.gz LFRNUPIJQAXVFJ-INIZCTEOSA-N 2 2 367.453 3.341 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cc(F)ccc2F)C1 ZINC000106215167 495434395 /nfs/dbraw/zinc/43/43/95/495434395.db2.gz GRKGXGAMCAOKDD-DZGCQCFKSA-N 2 2 362.424 3.388 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cc(F)ccc2F)C1 ZINC000106215167 495434401 /nfs/dbraw/zinc/43/44/01/495434401.db2.gz GRKGXGAMCAOKDD-DZGCQCFKSA-N 2 2 362.424 3.388 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)NCCc2ccc(Cl)cc2)C1 ZINC000106216284 495434503 /nfs/dbraw/zinc/43/45/03/495434503.db2.gz SQFFWGATZFOFQJ-SFHVURJKSA-N 2 2 374.916 3.095 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)NCCc2ccc(Cl)cc2)C1 ZINC000106216284 495434507 /nfs/dbraw/zinc/43/45/07/495434507.db2.gz SQFFWGATZFOFQJ-SFHVURJKSA-N 2 2 374.916 3.095 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1nc2ccccc2s1 ZINC000154562068 495655649 /nfs/dbraw/zinc/65/56/49/495655649.db2.gz SNXYAQXBHYMIPN-ZFWWWQNUSA-N 2 2 369.494 3.293 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1nc2ccccc2s1 ZINC000154562068 495655655 /nfs/dbraw/zinc/65/56/55/495655655.db2.gz SNXYAQXBHYMIPN-ZFWWWQNUSA-N 2 2 369.494 3.293 10 0 FGAELP C[C@H](CNC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1)C[NH+]1CCCCC1 ZINC000174173334 495849059 /nfs/dbraw/zinc/84/90/59/495849059.db2.gz OCCVQEMWFWJFQX-QZTJIDSGSA-N 2 2 369.513 3.355 10 0 FGAELP O=C1[C@H]([N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CCN1c1cccc(Cl)c1 ZINC000177092861 495922501 /nfs/dbraw/zinc/92/25/01/495922501.db2.gz ALLZPRXVPFJMEC-CRAIPNDOSA-N 2 2 370.884 3.274 10 0 FGAELP O=C1[C@H]([N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CCN1c1cccc(Cl)c1 ZINC000177092861 495922505 /nfs/dbraw/zinc/92/25/05/495922505.db2.gz ALLZPRXVPFJMEC-CRAIPNDOSA-N 2 2 370.884 3.274 10 0 FGAELP CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171643528 495961868 /nfs/dbraw/zinc/96/18/68/495961868.db2.gz CMZSETGWDHZMQM-SJORKVTESA-N 2 2 371.485 3.309 10 0 FGAELP CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171643528 495961871 /nfs/dbraw/zinc/96/18/71/495961871.db2.gz CMZSETGWDHZMQM-SJORKVTESA-N 2 2 371.485 3.309 10 0 FGAELP Cc1nc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)sc1C ZINC000171649532 495968181 /nfs/dbraw/zinc/96/81/81/495968181.db2.gz MYUQURXBMNPBCM-GOEBONIOSA-N 2 2 373.526 3.224 10 0 FGAELP Cc1nc(NC(=O)[C@H](C)[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)sc1C ZINC000171649532 495968184 /nfs/dbraw/zinc/96/81/84/495968184.db2.gz MYUQURXBMNPBCM-GOEBONIOSA-N 2 2 373.526 3.224 10 0 FGAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H]2CCSc3ccc(F)cc32)nc[nH+]1 ZINC000180576774 496052596 /nfs/dbraw/zinc/05/25/96/496052596.db2.gz LCVJXCCMHFJAFZ-GOEBONIOSA-N 2 2 373.501 3.453 10 0 FGAELP C[C@@H](NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000177579469 496119304 /nfs/dbraw/zinc/11/93/04/496119304.db2.gz MZYBMFKVTHVVFU-VQIMIIECSA-N 2 2 364.453 3.004 10 0 FGAELP CCc1ccc(-c2noc(C[N@@H+]3CCC[C@@H]3Cn3cc[nH+]c3C)n2)cc1 ZINC000178301410 496403552 /nfs/dbraw/zinc/40/35/52/496403552.db2.gz GJNNOCFATQPCQS-GOSISDBHSA-N 2 2 351.454 3.469 10 0 FGAELP CCc1ccc(-c2noc(C[N@H+]3CCC[C@@H]3Cn3cc[nH+]c3C)n2)cc1 ZINC000178301410 496403560 /nfs/dbraw/zinc/40/35/60/496403560.db2.gz GJNNOCFATQPCQS-GOSISDBHSA-N 2 2 351.454 3.469 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000178325346 496413611 /nfs/dbraw/zinc/41/36/11/496413611.db2.gz AJPBGJDDHIRHIU-YJBOKZPZSA-N 2 2 351.454 3.391 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000178325346 496413617 /nfs/dbraw/zinc/41/36/17/496413617.db2.gz AJPBGJDDHIRHIU-YJBOKZPZSA-N 2 2 351.454 3.391 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@H](O)COc1c(C)ccc(C)c1C ZINC000178328175 496415357 /nfs/dbraw/zinc/41/53/57/496415357.db2.gz KXRZBWUBECZWRO-UXHICEINSA-N 2 2 357.498 3.021 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@H](O)COc1c(C)ccc(C)c1C ZINC000178328175 496415362 /nfs/dbraw/zinc/41/53/62/496415362.db2.gz KXRZBWUBECZWRO-UXHICEINSA-N 2 2 357.498 3.021 10 0 FGAELP COC(=O)[C@H](c1ccccc1C)[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000163011124 496448882 /nfs/dbraw/zinc/44/88/82/496448882.db2.gz PUFJVDHHPGHKMK-XLIONFOSSA-N 2 2 353.466 3.347 10 0 FGAELP COC(=O)[C@H](c1ccccc1C)[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000163011124 496448887 /nfs/dbraw/zinc/44/88/87/496448887.db2.gz PUFJVDHHPGHKMK-XLIONFOSSA-N 2 2 353.466 3.347 10 0 FGAELP C[C@H](Nc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1)c1ccc2c(c1)OCCO2 ZINC000178856013 496595333 /nfs/dbraw/zinc/59/53/33/496595333.db2.gz BHZUHUVXXVVYHO-ZDUSSCGKSA-N 2 2 374.404 3.155 10 0 FGAELP Cc1cnn([C@@H]2CCC[NH+](CCC[N@H+]3CCC[C@H](n4cc(C)cn4)C3)C2)c1 ZINC000158000659 496605652 /nfs/dbraw/zinc/60/56/52/496605652.db2.gz SVUYDYWDSRCVOA-OYRHEFFESA-N 2 2 370.545 3.061 10 0 FGAELP Cc1cnn([C@@H]2CCC[NH+](CCC[N@@H+]3CCC[C@H](n4cc(C)cn4)C3)C2)c1 ZINC000158000659 496605657 /nfs/dbraw/zinc/60/56/57/496605657.db2.gz SVUYDYWDSRCVOA-OYRHEFFESA-N 2 2 370.545 3.061 10 0 FGAELP Cc1cnn([C@@H]2CCC[N@@H+](CCC[NH+]3CCC[C@H](n4cc(C)cn4)C3)C2)c1 ZINC000158000659 496605661 /nfs/dbraw/zinc/60/56/61/496605661.db2.gz SVUYDYWDSRCVOA-OYRHEFFESA-N 2 2 370.545 3.061 10 0 FGAELP Cc1cnn([C@@H]2CCC[N@H+](CCC[NH+]3CCC[C@H](n4cc(C)cn4)C3)C2)c1 ZINC000158000659 496605668 /nfs/dbraw/zinc/60/56/68/496605668.db2.gz SVUYDYWDSRCVOA-OYRHEFFESA-N 2 2 370.545 3.061 10 0 FGAELP COC(=O)c1ccc(F)c(C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)c1 ZINC000181950022 496608966 /nfs/dbraw/zinc/60/89/66/496608966.db2.gz NNKLEJDVPFTHDK-OAHLLOKOSA-N 2 2 357.429 3.250 10 0 FGAELP COC(=O)c1ccc(F)c(C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)c1 ZINC000181950022 496608975 /nfs/dbraw/zinc/60/89/75/496608975.db2.gz NNKLEJDVPFTHDK-OAHLLOKOSA-N 2 2 357.429 3.250 10 0 FGAELP CC(=O)Nc1cccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3scnc3C)C2)c1 ZINC000195255431 496863050 /nfs/dbraw/zinc/86/30/50/496863050.db2.gz VLCOFVVAEDXZOV-GOSISDBHSA-N 2 2 372.538 3.364 10 0 FGAELP CC(=O)Nc1cccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3scnc3C)C2)c1 ZINC000195255431 496863053 /nfs/dbraw/zinc/86/30/53/496863053.db2.gz VLCOFVVAEDXZOV-GOSISDBHSA-N 2 2 372.538 3.364 10 0 FGAELP CC(=O)Nc1cccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3scnc3C)C2)c1 ZINC000195255431 496863056 /nfs/dbraw/zinc/86/30/56/496863056.db2.gz VLCOFVVAEDXZOV-GOSISDBHSA-N 2 2 372.538 3.364 10 0 FGAELP CC(=O)Nc1cccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3scnc3C)C2)c1 ZINC000195255431 496863058 /nfs/dbraw/zinc/86/30/58/496863058.db2.gz VLCOFVVAEDXZOV-GOSISDBHSA-N 2 2 372.538 3.364 10 0 FGAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2cc(F)cc3c2OCOC3)C1 ZINC000195278533 496874122 /nfs/dbraw/zinc/87/41/22/496874122.db2.gz MUAHODRFKWTOAY-QGZVFWFLSA-N 2 2 371.456 3.041 10 0 FGAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2cc(F)cc3c2OCOC3)C1 ZINC000195278533 496874124 /nfs/dbraw/zinc/87/41/24/496874124.db2.gz MUAHODRFKWTOAY-QGZVFWFLSA-N 2 2 371.456 3.041 10 0 FGAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](Cc2cc(F)cc3c2OCOC3)C1 ZINC000195278533 496874127 /nfs/dbraw/zinc/87/41/27/496874127.db2.gz MUAHODRFKWTOAY-QGZVFWFLSA-N 2 2 371.456 3.041 10 0 FGAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](Cc2cc(F)cc3c2OCOC3)C1 ZINC000195278533 496874131 /nfs/dbraw/zinc/87/41/31/496874131.db2.gz MUAHODRFKWTOAY-QGZVFWFLSA-N 2 2 371.456 3.041 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N[C@H](c2ccccc2)C2CC2)C1 ZINC000247778505 496914490 /nfs/dbraw/zinc/91/44/90/496914490.db2.gz RHNGEKFRMQOPDF-DENIHFKCSA-N 2 2 366.509 3.350 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N[C@H](c2ccccc2)C2CC2)C1 ZINC000247778505 496914498 /nfs/dbraw/zinc/91/44/98/496914498.db2.gz RHNGEKFRMQOPDF-DENIHFKCSA-N 2 2 366.509 3.350 10 0 FGAELP CC1(C)CC([NH+]2CCN(C(=O)OCc3ccccc3)CC2)CC(C)(C)[NH2+]1 ZINC000217657475 496999326 /nfs/dbraw/zinc/99/93/26/496999326.db2.gz XSTQEYXMFNSMAX-UHFFFAOYSA-N 2 2 359.514 3.250 10 0 FGAELP CCO[C@@H]1C[C@@H]([NH2+]C[C@H](C2CC2)[N@H+](C)Cc2ccccc2)C12CCOCC2 ZINC000248567381 497042715 /nfs/dbraw/zinc/04/27/15/497042715.db2.gz PIYGTQHZHXXUSZ-YPAWHYETSA-N 2 2 372.553 3.461 10 0 FGAELP CCO[C@@H]1C[C@@H]([NH2+]C[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)C12CCOCC2 ZINC000248567381 497042722 /nfs/dbraw/zinc/04/27/22/497042722.db2.gz PIYGTQHZHXXUSZ-YPAWHYETSA-N 2 2 372.553 3.461 10 0 FGAELP CCO[C@@H]1C[C@H]([NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)C12CCOCC2 ZINC000249024753 497151282 /nfs/dbraw/zinc/15/12/82/497151282.db2.gz RJJAUTLEKWBJGI-QHAWAJNXSA-N 2 2 358.526 3.387 10 0 FGAELP CC(=O)Nc1ccc(CC[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000253370169 497327879 /nfs/dbraw/zinc/32/78/79/497327879.db2.gz NEZSVIVYABPKAG-VGOFRKELSA-N 2 2 351.494 3.298 10 0 FGAELP CC(=O)Nc1ccc(CC[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000253370169 497327882 /nfs/dbraw/zinc/32/78/82/497327882.db2.gz NEZSVIVYABPKAG-VGOFRKELSA-N 2 2 351.494 3.298 10 0 FGAELP [NH3+]C[C@@H]1C[N@H+](Cc2nc3ccc(Cl)cc3c(=O)[nH]2)C[C@H]1c1ccccc1 ZINC000261645351 497426106 /nfs/dbraw/zinc/42/61/06/497426106.db2.gz FXRDQUSYEDIJHS-PBHICJAKSA-N 2 2 368.868 3.163 10 0 FGAELP [NH3+]C[C@@H]1C[N@@H+](Cc2nc3ccc(Cl)cc3c(=O)[nH]2)C[C@H]1c1ccccc1 ZINC000261645351 497426112 /nfs/dbraw/zinc/42/61/12/497426112.db2.gz FXRDQUSYEDIJHS-PBHICJAKSA-N 2 2 368.868 3.163 10 0 FGAELP CC(C)CO[C@H](C)c1noc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)n1 ZINC000245499369 497430562 /nfs/dbraw/zinc/43/05/62/497430562.db2.gz XZGFRNCYKGQLCF-CVEARBPZSA-N 2 2 359.474 3.132 10 0 FGAELP CC(C)CO[C@H](C)c1noc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)n1 ZINC000245499369 497430565 /nfs/dbraw/zinc/43/05/65/497430565.db2.gz XZGFRNCYKGQLCF-CVEARBPZSA-N 2 2 359.474 3.132 10 0 FGAELP CCn1nc(C)c(C[N@@H+]2CC[C@H](C[NH+](C)Cc3scnc3C)C2)c1C ZINC000190463778 497489543 /nfs/dbraw/zinc/48/95/43/497489543.db2.gz JFWHQZNODFSIMT-QGZVFWFLSA-N 2 2 361.559 3.239 10 0 FGAELP CCn1nc(C)c(C[N@H+]2CC[C@H](C[NH+](C)Cc3scnc3C)C2)c1C ZINC000190463778 497489548 /nfs/dbraw/zinc/48/95/48/497489548.db2.gz JFWHQZNODFSIMT-QGZVFWFLSA-N 2 2 361.559 3.239 10 0 FGAELP CCn1nc(C)c(C[NH+]2CC[C@H](C[N@H+](C)Cc3scnc3C)C2)c1C ZINC000190463778 497489553 /nfs/dbraw/zinc/48/95/53/497489553.db2.gz JFWHQZNODFSIMT-QGZVFWFLSA-N 2 2 361.559 3.239 10 0 FGAELP CCn1nc(C)c(C[NH+]2CC[C@H](C[N@@H+](C)Cc3scnc3C)C2)c1C ZINC000190463778 497489560 /nfs/dbraw/zinc/48/95/60/497489560.db2.gz JFWHQZNODFSIMT-QGZVFWFLSA-N 2 2 361.559 3.239 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2N(C)C)C1 ZINC000190470257 497493253 /nfs/dbraw/zinc/49/32/53/497493253.db2.gz XHSBEZINGXQBAK-QGZVFWFLSA-N 2 2 358.555 3.471 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2N(C)C)C1 ZINC000190470257 497493255 /nfs/dbraw/zinc/49/32/55/497493255.db2.gz XHSBEZINGXQBAK-QGZVFWFLSA-N 2 2 358.555 3.471 10 0 FGAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2N(C)C)C1 ZINC000190470257 497493259 /nfs/dbraw/zinc/49/32/59/497493259.db2.gz XHSBEZINGXQBAK-QGZVFWFLSA-N 2 2 358.555 3.471 10 0 FGAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2N(C)C)C1 ZINC000190470257 497493261 /nfs/dbraw/zinc/49/32/61/497493261.db2.gz XHSBEZINGXQBAK-QGZVFWFLSA-N 2 2 358.555 3.471 10 0 FGAELP Cn1cc[nH+]c1CN(Cc1ncc(C(C)(C)C)s1)[C@H]1CC12CC[NH2+]CC2 ZINC000262024956 497494348 /nfs/dbraw/zinc/49/43/48/497494348.db2.gz WMTRPNCSKHUSNG-HNNXBMFYSA-N 2 2 373.570 3.318 10 0 FGAELP COCCOc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)cc1 ZINC000190481926 497498424 /nfs/dbraw/zinc/49/84/24/497498424.db2.gz WSEAXHJBXZCSDB-NRFANRHFSA-N 2 2 369.509 3.061 10 0 FGAELP COCCOc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)cc1 ZINC000190481926 497498429 /nfs/dbraw/zinc/49/84/29/497498429.db2.gz WSEAXHJBXZCSDB-NRFANRHFSA-N 2 2 369.509 3.061 10 0 FGAELP COCCOc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)cc1 ZINC000190481926 497498433 /nfs/dbraw/zinc/49/84/33/497498433.db2.gz WSEAXHJBXZCSDB-NRFANRHFSA-N 2 2 369.509 3.061 10 0 FGAELP COCCOc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)cc1 ZINC000190481926 497498436 /nfs/dbraw/zinc/49/84/36/497498436.db2.gz WSEAXHJBXZCSDB-NRFANRHFSA-N 2 2 369.509 3.061 10 0 FGAELP Cc1ncsc1C[N@H+](C)C[C@H]1CCN(C(=O)Nc2cc[nH+]cc2C)C1 ZINC000190509236 497509940 /nfs/dbraw/zinc/50/99/40/497509940.db2.gz MUIQCXPYPQZFGO-OAHLLOKOSA-N 2 2 359.499 3.141 10 0 FGAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cc[nH+]cc2C)C1 ZINC000190509236 497509946 /nfs/dbraw/zinc/50/99/46/497509946.db2.gz MUIQCXPYPQZFGO-OAHLLOKOSA-N 2 2 359.499 3.141 10 0 FGAELP O=C1[C@@H]([N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)CCCN1c1ccccc1F ZINC000245929609 497575137 /nfs/dbraw/zinc/57/51/37/497575137.db2.gz YFZHFIJEKVWVIX-LPHOPBHVSA-N 2 2 368.456 3.150 10 0 FGAELP O=C1[C@@H]([N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)CCCN1c1ccccc1F ZINC000245929609 497575141 /nfs/dbraw/zinc/57/51/41/497575141.db2.gz YFZHFIJEKVWVIX-LPHOPBHVSA-N 2 2 368.456 3.150 10 0 FGAELP CCOc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246176625 497647996 /nfs/dbraw/zinc/64/79/96/497647996.db2.gz UDDBLSIEXPYEOD-IRXDYDNUSA-N 2 2 368.481 3.241 10 0 FGAELP CCOc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246176625 497648003 /nfs/dbraw/zinc/64/80/03/497648003.db2.gz UDDBLSIEXPYEOD-IRXDYDNUSA-N 2 2 368.481 3.241 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H]2CCN(c3c(F)cccc3F)C2=O)C1 ZINC000246222201 497666776 /nfs/dbraw/zinc/66/67/76/497666776.db2.gz LNFNNAFOVQMHFT-PBHICJAKSA-N 2 2 374.435 3.166 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H]2CCN(c3c(F)cccc3F)C2=O)C1 ZINC000246222201 497666779 /nfs/dbraw/zinc/66/67/79/497666779.db2.gz LNFNNAFOVQMHFT-PBHICJAKSA-N 2 2 374.435 3.166 10 0 FGAELP CCOC(=O)C1CCC(O)(C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000191045809 497692914 /nfs/dbraw/zinc/69/29/14/497692914.db2.gz YXRKOMHIYXCQAH-ZGGTZUKQSA-N 2 2 371.481 3.007 10 0 FGAELP Cn1cc([C@H](CNc2cc[nH+]c3c(Br)cccc23)[NH+](C)C)cn1 ZINC000301298212 498045790 /nfs/dbraw/zinc/04/57/90/498045790.db2.gz SWVYIEXVMZVMAW-INIZCTEOSA-N 2 2 374.286 3.446 10 0 FGAELP C[C@@H](NC(=O)NCCC[NH+]1CCC(C)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000076471030 493900029 /nfs/dbraw/zinc/90/00/29/493900029.db2.gz GZGLIXNDIFVWMS-GOSISDBHSA-N 2 2 369.513 3.355 10 0 FGAELP CCc1[nH+]c2ccccc2n1CC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000052555849 494039872 /nfs/dbraw/zinc/03/98/72/494039872.db2.gz YBRQOXOFZNDWSN-GOSISDBHSA-N 2 2 350.466 3.018 10 0 FGAELP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000073950323 494455350 /nfs/dbraw/zinc/45/53/50/494455350.db2.gz GZJLFHMEDXXBMU-HOTGVXAUSA-N 2 2 366.469 3.074 10 0 FGAELP CCCC[NH+]1CCC(NC(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000073967570 494458086 /nfs/dbraw/zinc/45/80/86/494458086.db2.gz MQZZDWVZQIEONG-QGZVFWFLSA-N 2 2 369.513 3.497 10 0 FGAELP CCC[NH+]1CCC(N(C)C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000074875529 494637584 /nfs/dbraw/zinc/63/75/84/494637584.db2.gz VITZDWJLAKIRFH-KRWDZBQOSA-N 2 2 369.513 3.449 10 0 FGAELP C[C@H]1CN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)C[C@@H]1[NH+]1CCOCC1 ZINC000125925940 495519662 /nfs/dbraw/zinc/51/96/62/495519662.db2.gz FAIFHJXRCGLCOJ-UGSOOPFHSA-N 2 2 365.399 3.411 10 0 FGAELP C[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173458415 495538855 /nfs/dbraw/zinc/53/88/55/495538855.db2.gz ZPNAOKPIZGJJKY-BQFCYCMXSA-N 2 2 355.486 3.057 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@H+](Cc3noc(-c4ccsc4)n3)C2)[nH+]1 ZINC000151113809 495740968 /nfs/dbraw/zinc/74/09/68/495740968.db2.gz FCKCQDUFDNCVQP-CQSZACIVSA-N 2 2 355.467 3.436 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3noc(-c4ccsc4)n3)C2)[nH+]1 ZINC000151113809 495740972 /nfs/dbraw/zinc/74/09/72/495740972.db2.gz FCKCQDUFDNCVQP-CQSZACIVSA-N 2 2 355.467 3.436 10 0 FGAELP C[C@@H](NC(=O)NC[C@H](C)C[NH+]1CCCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000174173319 495849139 /nfs/dbraw/zinc/84/91/39/495849139.db2.gz OCCVQEMWFWJFQX-ZWKOTPCHSA-N 2 2 369.513 3.355 10 0 FGAELP COc1ccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1OC(F)F ZINC000180127375 495870400 /nfs/dbraw/zinc/87/04/00/495870400.db2.gz MJPRCVMVXIWLST-OAHLLOKOSA-N 2 2 351.397 3.466 10 0 FGAELP COc1ccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1OC(F)F ZINC000180127375 495870403 /nfs/dbraw/zinc/87/04/03/495870403.db2.gz MJPRCVMVXIWLST-OAHLLOKOSA-N 2 2 351.397 3.466 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2c(F)cccc2F)C1 ZINC000171523391 495912831 /nfs/dbraw/zinc/91/28/31/495912831.db2.gz IKXSOJJNNGHAPX-UONOGXRCSA-N 2 2 362.424 3.388 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2c(F)cccc2F)C1 ZINC000171523391 495912839 /nfs/dbraw/zinc/91/28/39/495912839.db2.gz IKXSOJJNNGHAPX-UONOGXRCSA-N 2 2 362.424 3.388 10 0 FGAELP CCCC[C@H](C(=O)Nc1cc(C)on1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171643533 495962856 /nfs/dbraw/zinc/96/28/56/495962856.db2.gz CMZSETGWDHZMQM-IAGOWNOFSA-N 2 2 371.485 3.309 10 0 FGAELP CCCC[C@H](C(=O)Nc1cc(C)on1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171643533 495962864 /nfs/dbraw/zinc/96/28/64/495962864.db2.gz CMZSETGWDHZMQM-IAGOWNOFSA-N 2 2 371.485 3.309 10 0 FGAELP Cc1c(O)ccc2c(C[N@@H+]3CC[C@H](CNc4cccc[nH+]4)C3)cc(=O)oc12 ZINC000171645855 495964558 /nfs/dbraw/zinc/96/45/58/495964558.db2.gz TVHJLXWFDWYTCH-OAHLLOKOSA-N 2 2 365.433 3.136 10 0 FGAELP Cc1c(O)ccc2c(C[N@H+]3CC[C@H](CNc4cccc[nH+]4)C3)cc(=O)oc12 ZINC000171645855 495964563 /nfs/dbraw/zinc/96/45/63/495964563.db2.gz TVHJLXWFDWYTCH-OAHLLOKOSA-N 2 2 365.433 3.136 10 0 FGAELP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c(C)c1 ZINC000171644621 495964809 /nfs/dbraw/zinc/96/48/09/495964809.db2.gz WUFTWGKQUKCVRB-ZWKOTPCHSA-N 2 2 352.482 3.459 10 0 FGAELP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c(C)c1 ZINC000171644621 495964811 /nfs/dbraw/zinc/96/48/11/495964811.db2.gz WUFTWGKQUKCVRB-ZWKOTPCHSA-N 2 2 352.482 3.459 10 0 FGAELP C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171646606 495966406 /nfs/dbraw/zinc/96/64/06/495966406.db2.gz BPXDWMFXLGNMFF-RCCFBDPRSA-N 2 2 364.493 3.182 10 0 FGAELP C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171646606 495966410 /nfs/dbraw/zinc/96/64/10/495966410.db2.gz BPXDWMFXLGNMFF-RCCFBDPRSA-N 2 2 364.493 3.182 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@@H+]([C@@H](C)c3nc4ccccc4c(=O)[nH]3)C2)[nH+]1 ZINC000171652067 495970132 /nfs/dbraw/zinc/97/01/32/495970132.db2.gz YKGCESNEJZWVAE-JKSUJKDBSA-N 2 2 363.465 3.122 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@H+]([C@@H](C)c3nc4ccccc4c(=O)[nH]3)C2)[nH+]1 ZINC000171652067 495970140 /nfs/dbraw/zinc/97/01/40/495970140.db2.gz YKGCESNEJZWVAE-JKSUJKDBSA-N 2 2 363.465 3.122 10 0 FGAELP CCN(C(=O)C[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1)c1ccccc1 ZINC000171651410 495970615 /nfs/dbraw/zinc/97/06/15/495970615.db2.gz NKSGJDRMINBVIY-SFHVURJKSA-N 2 2 352.482 3.177 10 0 FGAELP CCN(C(=O)C[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1)c1ccccc1 ZINC000171651410 495970619 /nfs/dbraw/zinc/97/06/19/495970619.db2.gz NKSGJDRMINBVIY-SFHVURJKSA-N 2 2 352.482 3.177 10 0 FGAELP CC[C@H]([NH2+]C[C@@H]1CCCN1c1cc(NC)[nH+]cn1)c1ccc(OC)cc1 ZINC000180566600 496047394 /nfs/dbraw/zinc/04/73/94/496047394.db2.gz JPBINCNEKVLFOV-WMZOPIPTSA-N 2 2 355.486 3.237 10 0 FGAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2cc(F)c(F)c(F)c2)nc[nH+]1 ZINC000180575081 496051049 /nfs/dbraw/zinc/05/10/49/496051049.db2.gz QIXKVNSZDVIRKC-DGCLKSJQSA-N 2 2 365.403 3.255 10 0 FGAELP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1cc(Br)ccc1F ZINC000178519157 496484021 /nfs/dbraw/zinc/48/40/21/496484021.db2.gz WDQYQGLYWOMGRR-TZMCWYRMSA-N 2 2 359.283 3.086 10 0 FGAELP Cc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195300909 496881467 /nfs/dbraw/zinc/88/14/67/496881467.db2.gz WBOSYNXLOOMPAF-UYAOXDASSA-N 2 2 366.509 3.171 10 0 FGAELP Cc1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195300909 496881471 /nfs/dbraw/zinc/88/14/71/496881471.db2.gz WBOSYNXLOOMPAF-UYAOXDASSA-N 2 2 366.509 3.171 10 0 FGAELP Cc1ccccc1NC(=O)[C@@H](C)[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195300909 496881476 /nfs/dbraw/zinc/88/14/76/496881476.db2.gz WBOSYNXLOOMPAF-UYAOXDASSA-N 2 2 366.509 3.171 10 0 FGAELP Cc1ccccc1NC(=O)[C@@H](C)[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195300909 496881477 /nfs/dbraw/zinc/88/14/77/496881477.db2.gz WBOSYNXLOOMPAF-UYAOXDASSA-N 2 2 366.509 3.171 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(F)c(F)c2)C1 ZINC000247603704 496894922 /nfs/dbraw/zinc/89/49/22/496894922.db2.gz LHYPYQYAIMTMTA-UKRRQHHQSA-N 2 2 362.424 3.388 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc(F)c(F)c2)C1 ZINC000247603704 496894927 /nfs/dbraw/zinc/89/49/27/496894927.db2.gz LHYPYQYAIMTMTA-UKRRQHHQSA-N 2 2 362.424 3.388 10 0 FGAELP C[C@@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248651369 497072953 /nfs/dbraw/zinc/07/29/53/497072953.db2.gz MXCUYZXKMDJBFH-ICSRJNTNSA-N 2 2 372.557 3.015 10 0 FGAELP C[C@@H](C(=O)N(C)C1CCCCC1)[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248651369 497072955 /nfs/dbraw/zinc/07/29/55/497072955.db2.gz MXCUYZXKMDJBFH-ICSRJNTNSA-N 2 2 372.557 3.015 10 0 FGAELP C[C@@H](C(=O)N(C)C1CCCCC1)[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248651369 497072959 /nfs/dbraw/zinc/07/29/59/497072959.db2.gz MXCUYZXKMDJBFH-ICSRJNTNSA-N 2 2 372.557 3.015 10 0 FGAELP C[C@@H](C(=O)N(C)C1CCCCC1)[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248651369 497072963 /nfs/dbraw/zinc/07/29/63/497072963.db2.gz MXCUYZXKMDJBFH-ICSRJNTNSA-N 2 2 372.557 3.015 10 0 FGAELP CCN(C)c1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3scnc3C)C2)cn1 ZINC000248900578 497130276 /nfs/dbraw/zinc/13/02/76/497130276.db2.gz VHOMJZUYYSQXKH-SFHVURJKSA-N 2 2 373.570 3.257 10 0 FGAELP CCN(C)c1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3scnc3C)C2)cn1 ZINC000248900578 497130280 /nfs/dbraw/zinc/13/02/80/497130280.db2.gz VHOMJZUYYSQXKH-SFHVURJKSA-N 2 2 373.570 3.257 10 0 FGAELP CCN(C)c1ccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3scnc3C)C2)cn1 ZINC000248900578 497130284 /nfs/dbraw/zinc/13/02/84/497130284.db2.gz VHOMJZUYYSQXKH-SFHVURJKSA-N 2 2 373.570 3.257 10 0 FGAELP CCN(C)c1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3scnc3C)C2)cn1 ZINC000248900578 497130285 /nfs/dbraw/zinc/13/02/85/497130285.db2.gz VHOMJZUYYSQXKH-SFHVURJKSA-N 2 2 373.570 3.257 10 0 FGAELP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)C12CCOCC2 ZINC000248975815 497143314 /nfs/dbraw/zinc/14/33/14/497143314.db2.gz HPCNDENBYXEDJJ-ZIBCJSCZSA-N 2 2 358.526 3.386 10 0 FGAELP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)C12CCOCC2 ZINC000248975815 497143318 /nfs/dbraw/zinc/14/33/18/497143318.db2.gz HPCNDENBYXEDJJ-ZIBCJSCZSA-N 2 2 358.526 3.386 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccn(-c2ccc(F)cc2F)n1 ZINC000190266701 497419619 /nfs/dbraw/zinc/41/96/19/497419619.db2.gz NEAJVLDADQMHDJ-KRWDZBQOSA-N 2 2 357.408 3.320 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccn(-c2ccc(F)cc2F)n1 ZINC000190266701 497419626 /nfs/dbraw/zinc/41/96/26/497419626.db2.gz NEAJVLDADQMHDJ-KRWDZBQOSA-N 2 2 357.408 3.320 10 0 FGAELP Cc1ncsc1C[N@H+](Cc1ccc(N(C)C(C)C)nc1)C[C@@H]1CC[NH2+]C1 ZINC000261758871 497447032 /nfs/dbraw/zinc/44/70/32/497447032.db2.gz CTQCJIWWQDYGKR-GOSISDBHSA-N 2 2 373.570 3.303 10 0 FGAELP Cc1ncsc1C[N@@H+](Cc1ccc(N(C)C(C)C)nc1)C[C@@H]1CC[NH2+]C1 ZINC000261758871 497447035 /nfs/dbraw/zinc/44/70/35/497447035.db2.gz CTQCJIWWQDYGKR-GOSISDBHSA-N 2 2 373.570 3.303 10 0 FGAELP C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)c1ccc(Cl)cc1 ZINC000246077337 497612998 /nfs/dbraw/zinc/61/29/98/497612998.db2.gz CUSCFOYDIUKCAV-CVEARBPZSA-N 2 2 372.900 3.346 10 0 FGAELP C[C@@H](NC(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)c1ccc(Cl)cc1 ZINC000246077337 497613003 /nfs/dbraw/zinc/61/30/03/497613003.db2.gz CUSCFOYDIUKCAV-CVEARBPZSA-N 2 2 372.900 3.346 10 0 FGAELP Cc1[nH+]ccn1Cc1cccc(CNc2nc(N(C)C)nc(C(C)C)[nH+]2)c1 ZINC000301941273 498337594 /nfs/dbraw/zinc/33/75/94/498337594.db2.gz USIAQJZBCALCLK-UHFFFAOYSA-N 2 2 365.485 3.226 10 0 FGAELP COc1ccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1Br ZINC000188412535 712769085 /nfs/dbraw/zinc/76/90/85/712769085.db2.gz XJGDLVPSQPCOHQ-CQSZACIVSA-N 2 2 350.260 3.319 10 0 FGAELP COc1ccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1Br ZINC000188412535 712769087 /nfs/dbraw/zinc/76/90/87/712769087.db2.gz XJGDLVPSQPCOHQ-CQSZACIVSA-N 2 2 350.260 3.319 10 0 FGAELP C[N@H+](Cc1ccccc1)C1(C[NH2+]C[C@H]2CCOC2)Cc2ccccc2C1 ZINC000020598972 220335350 /nfs/dbraw/zinc/33/53/50/220335350.db2.gz WLWWSCMPNYIZTK-HXUWFJFHSA-N 2 2 350.506 3.282 10 0 FGAELP C[N@@H+](Cc1ccccc1)C1(C[NH2+]C[C@H]2CCOC2)Cc2ccccc2C1 ZINC000020598972 220335354 /nfs/dbraw/zinc/33/53/54/220335354.db2.gz WLWWSCMPNYIZTK-HXUWFJFHSA-N 2 2 350.506 3.282 10 0 FGAELP COc1ccc(C[N@@H+]2CCC[C@@H]2c2cc(C)no2)cc1C[NH+]1CCOCC1 ZINC000064984320 221161843 /nfs/dbraw/zinc/16/18/43/221161843.db2.gz BGQOZNBREWSIPY-LJQANCHMSA-N 2 2 371.481 3.161 10 0 FGAELP COc1ccc(C[N@H+]2CCC[C@@H]2c2cc(C)no2)cc1C[NH+]1CCOCC1 ZINC000064984320 221161847 /nfs/dbraw/zinc/16/18/47/221161847.db2.gz BGQOZNBREWSIPY-LJQANCHMSA-N 2 2 371.481 3.161 10 0 FGAELP COc1cc[nH+]c(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccc(F)cc2)C3)c1 ZINC000091943889 494729207 /nfs/dbraw/zinc/72/92/07/494729207.db2.gz QTVGYUZCLJVLOQ-FXAWDEMLSA-N 2 2 355.457 3.326 10 0 FGAELP COc1cc[nH+]c(CN2C[C@H]3CC[C@@H]2C[N@@H+](Cc2ccc(F)cc2)C3)c1 ZINC000091943889 494729211 /nfs/dbraw/zinc/72/92/11/494729211.db2.gz QTVGYUZCLJVLOQ-FXAWDEMLSA-N 2 2 355.457 3.326 10 0 FGAELP C[C@H](NC(=O)NCC[N@@H+]1CCCC[C@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000080634751 494752133 /nfs/dbraw/zinc/75/21/33/494752133.db2.gz YRULHFXABSFUIE-SJORKVTESA-N 2 2 355.486 3.107 10 0 FGAELP C[C@H](NC(=O)NCC[N@H+]1CCCC[C@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000080634751 494752138 /nfs/dbraw/zinc/75/21/38/494752138.db2.gz YRULHFXABSFUIE-SJORKVTESA-N 2 2 355.486 3.107 10 0 FGAELP COc1c(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)c(C)nn1C ZINC000092043798 494768116 /nfs/dbraw/zinc/76/81/16/494768116.db2.gz JSKHRWIMIOVLDP-CTNGQTDRSA-N 2 2 368.525 3.224 10 0 FGAELP COc1c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)c(C)nn1C ZINC000092043798 494768121 /nfs/dbraw/zinc/76/81/21/494768121.db2.gz JSKHRWIMIOVLDP-CTNGQTDRSA-N 2 2 368.525 3.224 10 0 FGAELP COc1c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c(C)nn1C ZINC000092043798 494768128 /nfs/dbraw/zinc/76/81/28/494768128.db2.gz JSKHRWIMIOVLDP-CTNGQTDRSA-N 2 2 368.525 3.224 10 0 FGAELP COc1c(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c(C)nn1C ZINC000092043798 494768137 /nfs/dbraw/zinc/76/81/37/494768137.db2.gz JSKHRWIMIOVLDP-CTNGQTDRSA-N 2 2 368.525 3.224 10 0 FGAELP C[N@H+](C[C@H](O)COCc1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000121623855 494823339 /nfs/dbraw/zinc/82/33/39/494823339.db2.gz DTPTUVHGCVOYJA-QHCPKHFHSA-N 2 2 368.521 3.161 10 0 FGAELP C[N@@H+](C[C@H](O)COCc1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000121623855 494823346 /nfs/dbraw/zinc/82/33/46/494823346.db2.gz DTPTUVHGCVOYJA-QHCPKHFHSA-N 2 2 368.521 3.161 10 0 FGAELP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000123310126 495112972 /nfs/dbraw/zinc/11/29/72/495112972.db2.gz VSCBCIYCHLWTHA-OXQOHEQNSA-N 2 2 367.497 3.121 10 0 FGAELP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cc1 ZINC000123310126 495112976 /nfs/dbraw/zinc/11/29/76/495112976.db2.gz VSCBCIYCHLWTHA-OXQOHEQNSA-N 2 2 367.497 3.121 10 0 FGAELP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1)C2 ZINC000112666476 495219304 /nfs/dbraw/zinc/21/93/04/495219304.db2.gz HXYBAWPRNXMLON-HXUWFJFHSA-N 2 2 366.509 3.093 10 0 FGAELP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)C2 ZINC000112666476 495219309 /nfs/dbraw/zinc/21/93/09/495219309.db2.gz HXYBAWPRNXMLON-HXUWFJFHSA-N 2 2 366.509 3.093 10 0 FGAELP C[N@H+](CCOc1ccc(Cl)cc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000106130774 495418417 /nfs/dbraw/zinc/41/84/17/495418417.db2.gz DJNUJNRIYCLPOQ-UHFFFAOYSA-N 2 2 362.905 3.012 10 0 FGAELP C[N@@H+](CCOc1ccc(Cl)cc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000106130774 495418422 /nfs/dbraw/zinc/41/84/22/495418422.db2.gz DJNUJNRIYCLPOQ-UHFFFAOYSA-N 2 2 362.905 3.012 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N(Cc2ccccc2)C2CC2)C1 ZINC000106212452 495433224 /nfs/dbraw/zinc/43/32/24/495433224.db2.gz MDOXDJBCZLCQSV-HXUWFJFHSA-N 2 2 366.509 3.274 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N(Cc2ccccc2)C2CC2)C1 ZINC000106212452 495433227 /nfs/dbraw/zinc/43/32/27/495433227.db2.gz MDOXDJBCZLCQSV-HXUWFJFHSA-N 2 2 366.509 3.274 10 0 FGAELP Cn1cc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c(-c2cccs2)n1 ZINC000179987386 495810705 /nfs/dbraw/zinc/81/07/05/495810705.db2.gz VQYLZBSTJIPNEH-HNNXBMFYSA-N 2 2 353.495 3.478 10 0 FGAELP Cn1cc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c(-c2cccs2)n1 ZINC000179987386 495810710 /nfs/dbraw/zinc/81/07/10/495810710.db2.gz VQYLZBSTJIPNEH-HNNXBMFYSA-N 2 2 353.495 3.478 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccn(-c2c(F)cccc2F)n1 ZINC000155055204 495819165 /nfs/dbraw/zinc/81/91/65/495819165.db2.gz KBWABBOWOHDJEZ-MRXNPFEDSA-N 2 2 357.408 3.320 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccn(-c2c(F)cccc2F)n1 ZINC000155055204 495819167 /nfs/dbraw/zinc/81/91/67/495819167.db2.gz KBWABBOWOHDJEZ-MRXNPFEDSA-N 2 2 357.408 3.320 10 0 FGAELP COc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1 ZINC000180132842 495873159 /nfs/dbraw/zinc/87/31/59/495873159.db2.gz HTMCTNNMZDYUCR-GOSISDBHSA-N 2 2 351.454 3.255 10 0 FGAELP COc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1 ZINC000180132842 495873161 /nfs/dbraw/zinc/87/31/61/495873161.db2.gz HTMCTNNMZDYUCR-GOSISDBHSA-N 2 2 351.454 3.255 10 0 FGAELP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1F ZINC000171644267 495964875 /nfs/dbraw/zinc/96/48/75/495964875.db2.gz XZRMMMVLTOXGNJ-HZPDHXFCSA-N 2 2 356.445 3.290 10 0 FGAELP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1F ZINC000171644267 495964878 /nfs/dbraw/zinc/96/48/78/495964878.db2.gz XZRMMMVLTOXGNJ-HZPDHXFCSA-N 2 2 356.445 3.290 10 0 FGAELP CSc1cccc(NC(=O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000171647544 495966005 /nfs/dbraw/zinc/96/60/05/495966005.db2.gz OPAGLEYNXWCNGY-HNNXBMFYSA-N 2 2 356.495 3.176 10 0 FGAELP CSc1cccc(NC(=O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000171647544 495966012 /nfs/dbraw/zinc/96/60/12/495966012.db2.gz OPAGLEYNXWCNGY-HNNXBMFYSA-N 2 2 356.495 3.176 10 0 FGAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H]2CCSc3c(F)cccc32)nc[nH+]1 ZINC000180567414 496047219 /nfs/dbraw/zinc/04/72/19/496047219.db2.gz QWLSLXPBDWWEHQ-XJKSGUPXSA-N 2 2 373.501 3.453 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCc2nc(-c3ccccc3)no2)C1 ZINC000157999211 496605037 /nfs/dbraw/zinc/60/50/37/496605037.db2.gz AOCLEDWGEDAHKX-KRWDZBQOSA-N 2 2 351.454 3.375 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCc2nc(-c3ccccc3)no2)C1 ZINC000157999211 496605039 /nfs/dbraw/zinc/60/50/39/496605039.db2.gz AOCLEDWGEDAHKX-KRWDZBQOSA-N 2 2 351.454 3.375 10 0 FGAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)c2ccc(F)cc2)C1 ZINC000195250857 496861870 /nfs/dbraw/zinc/86/18/70/496861870.db2.gz LOLVMIHJNRBZRA-YJBOKZPZSA-N 2 2 363.502 3.078 10 0 FGAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)c2ccc(F)cc2)C1 ZINC000195250857 496861876 /nfs/dbraw/zinc/86/18/76/496861876.db2.gz LOLVMIHJNRBZRA-YJBOKZPZSA-N 2 2 363.502 3.078 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)c2ccc(F)cc2)C1 ZINC000195250857 496861883 /nfs/dbraw/zinc/86/18/83/496861883.db2.gz LOLVMIHJNRBZRA-YJBOKZPZSA-N 2 2 363.502 3.078 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)c2ccc(F)cc2)C1 ZINC000195250857 496861889 /nfs/dbraw/zinc/86/18/89/496861889.db2.gz LOLVMIHJNRBZRA-YJBOKZPZSA-N 2 2 363.502 3.078 10 0 FGAELP CCOc1ccc(OCC[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)cc1 ZINC000195272746 496871891 /nfs/dbraw/zinc/87/18/91/496871891.db2.gz CSVHJZVNVSLDCS-HXUWFJFHSA-N 2 2 369.509 3.313 10 0 FGAELP CCOc1ccc(OCC[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)cc1 ZINC000195272746 496871897 /nfs/dbraw/zinc/87/18/97/496871897.db2.gz CSVHJZVNVSLDCS-HXUWFJFHSA-N 2 2 369.509 3.313 10 0 FGAELP CCOc1ccc(OCC[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)cc1 ZINC000195272746 496871899 /nfs/dbraw/zinc/87/18/99/496871899.db2.gz CSVHJZVNVSLDCS-HXUWFJFHSA-N 2 2 369.509 3.313 10 0 FGAELP CCOc1ccc(OCC[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)cc1 ZINC000195272746 496871905 /nfs/dbraw/zinc/87/19/05/496871905.db2.gz CSVHJZVNVSLDCS-HXUWFJFHSA-N 2 2 369.509 3.313 10 0 FGAELP COc1ccc(Cl)c(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1 ZINC000192003738 496960806 /nfs/dbraw/zinc/96/08/06/496960806.db2.gz UMLVAVMWXWWDEN-UHFFFAOYSA-N 2 2 362.905 3.142 10 0 FGAELP COc1ccc(Cl)c(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1 ZINC000192003738 496960811 /nfs/dbraw/zinc/96/08/11/496960811.db2.gz UMLVAVMWXWWDEN-UHFFFAOYSA-N 2 2 362.905 3.142 10 0 FGAELP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)C12CCOCC2 ZINC000248910021 497132830 /nfs/dbraw/zinc/13/28/30/497132830.db2.gz BWZVGHUTWSCXPJ-PWRODBHTSA-N 2 2 358.526 3.215 10 0 FGAELP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)C12CCOCC2 ZINC000248910021 497132835 /nfs/dbraw/zinc/13/28/35/497132835.db2.gz BWZVGHUTWSCXPJ-PWRODBHTSA-N 2 2 358.526 3.215 10 0 FGAELP C[C@@H]1CCC[C@H]([N@H+](Cc2noc(C[NH3+])n2)Cc2ccc3c(c2)OCO3)[C@@H]1C ZINC000261645338 497426357 /nfs/dbraw/zinc/42/63/57/497426357.db2.gz FXPDJTGZVQMGRB-FMKPAKJESA-N 2 2 372.469 3.084 10 0 FGAELP C[C@@H]1CCC[C@H]([N@@H+](Cc2noc(C[NH3+])n2)Cc2ccc3c(c2)OCO3)[C@@H]1C ZINC000261645338 497426360 /nfs/dbraw/zinc/42/63/60/497426360.db2.gz FXPDJTGZVQMGRB-FMKPAKJESA-N 2 2 372.469 3.084 10 0 FGAELP Cn1cc[nH+]c1CN(Cc1ccc(Cl)cc1F)[C@H]1CC12CC[NH2+]CC2 ZINC000261756977 497445599 /nfs/dbraw/zinc/44/55/99/497445599.db2.gz CPHWFHRRZTZRML-KRWDZBQOSA-N 2 2 362.880 3.357 10 0 FGAELP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000261922375 497475785 /nfs/dbraw/zinc/47/57/85/497475785.db2.gz BUWSOWGFUISLFG-APPDUMDISA-N 2 2 363.303 3.031 10 0 FGAELP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000261922375 497475789 /nfs/dbraw/zinc/47/57/89/497475789.db2.gz BUWSOWGFUISLFG-APPDUMDISA-N 2 2 363.303 3.031 10 0 FGAELP c1sc(CCc2ccccc2)nc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261930970 497478482 /nfs/dbraw/zinc/47/84/82/497478482.db2.gz LSDFFTWDHMJIBP-XUVXKRRUSA-N 2 2 371.550 3.175 10 0 FGAELP COc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)cc1 ZINC000261940044 497479825 /nfs/dbraw/zinc/47/98/25/497479825.db2.gz DOSVHKJHDIHEBF-IIBYNOLFSA-N 2 2 362.477 3.327 10 0 FGAELP COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)cc1 ZINC000261940044 497479827 /nfs/dbraw/zinc/47/98/27/497479827.db2.gz DOSVHKJHDIHEBF-IIBYNOLFSA-N 2 2 362.477 3.327 10 0 FGAELP Cc1cccn2cc(COc3ccc(C[N@@H+]4C[C@H]([NH3+])[C@@H](C)C4)cc3)nc12 ZINC000262070086 497504326 /nfs/dbraw/zinc/50/43/26/497504326.db2.gz RZUWQCLKSIDYTH-JXFKEZNVSA-N 2 2 350.466 3.001 10 0 FGAELP Cc1cccn2cc(COc3ccc(C[N@H+]4C[C@H]([NH3+])[C@@H](C)C4)cc3)nc12 ZINC000262070086 497504330 /nfs/dbraw/zinc/50/43/30/497504330.db2.gz RZUWQCLKSIDYTH-JXFKEZNVSA-N 2 2 350.466 3.001 10 0 FGAELP COc1ccc2c(c1)C[N@@H+](Cc1noc(C[NH3+])n1)[C@H](C1CCCCC1)C2 ZINC000262288629 497535331 /nfs/dbraw/zinc/53/53/31/497535331.db2.gz VRDIVYAVKMMHOP-SFHVURJKSA-N 2 2 356.470 3.044 10 0 FGAELP COc1ccc2c(c1)C[N@H+](Cc1noc(C[NH3+])n1)[C@H](C1CCCCC1)C2 ZINC000262288629 497535335 /nfs/dbraw/zinc/53/53/35/497535335.db2.gz VRDIVYAVKMMHOP-SFHVURJKSA-N 2 2 356.470 3.044 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccc(O[C@H](C)C(=O)OC)cc2)C1 ZINC000245791445 497539185 /nfs/dbraw/zinc/53/91/85/497539185.db2.gz WDTLZJVYEKSQLY-SJLPKXTDSA-N 2 2 371.481 3.223 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccc(O[C@H](C)C(=O)OC)cc2)C1 ZINC000245791445 497539190 /nfs/dbraw/zinc/53/91/90/497539190.db2.gz WDTLZJVYEKSQLY-SJLPKXTDSA-N 2 2 371.481 3.223 10 0 FGAELP COc1c(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)c(C)nn1C ZINC000246109752 497625521 /nfs/dbraw/zinc/62/55/21/497625521.db2.gz JSKHRWIMIOVLDP-PZJWPPBQSA-N 2 2 368.525 3.224 10 0 FGAELP COc1c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)c(C)nn1C ZINC000246109752 497625524 /nfs/dbraw/zinc/62/55/24/497625524.db2.gz JSKHRWIMIOVLDP-PZJWPPBQSA-N 2 2 368.525 3.224 10 0 FGAELP COc1c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c(C)nn1C ZINC000246109752 497625528 /nfs/dbraw/zinc/62/55/28/497625528.db2.gz JSKHRWIMIOVLDP-PZJWPPBQSA-N 2 2 368.525 3.224 10 0 FGAELP COc1c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c(C)nn1C ZINC000246109752 497625530 /nfs/dbraw/zinc/62/55/30/497625530.db2.gz JSKHRWIMIOVLDP-PZJWPPBQSA-N 2 2 368.525 3.224 10 0 FGAELP C[C@H](NC(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)c1ccccc1Cl ZINC000246133090 497632721 /nfs/dbraw/zinc/63/27/21/497632721.db2.gz MVCCHBQOMPCXSU-HOTGVXAUSA-N 2 2 372.900 3.346 10 0 FGAELP C[C@H](NC(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)c1ccccc1Cl ZINC000246133090 497632727 /nfs/dbraw/zinc/63/27/27/497632727.db2.gz MVCCHBQOMPCXSU-HOTGVXAUSA-N 2 2 372.900 3.346 10 0 FGAELP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246192083 497655655 /nfs/dbraw/zinc/65/56/55/497655655.db2.gz WOBKRRYYVXLZLP-SJORKVTESA-N 2 2 370.472 3.174 10 0 FGAELP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246192083 497655658 /nfs/dbraw/zinc/65/56/58/497655658.db2.gz WOBKRRYYVXLZLP-SJORKVTESA-N 2 2 370.472 3.174 10 0 FGAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H]2CCCc3cc(OC)ccc32)nc[nH+]1 ZINC000246293097 497686109 /nfs/dbraw/zinc/68/61/09/497686109.db2.gz COVZJTXLYVBKHV-LPHOPBHVSA-N 2 2 367.497 3.163 10 0 FGAELP COc1cccc2c1[nH+]cc(C)c2N1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000302637064 498522497 /nfs/dbraw/zinc/52/24/97/498522497.db2.gz KNSDBOWMPLATFL-UHFFFAOYSA-N 2 2 363.465 3.285 10 0 FGAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CC[C@H](Nc4ccccc4)C3)c2cc1C ZINC000076758169 493966185 /nfs/dbraw/zinc/96/61/85/493966185.db2.gz UJHOCWRQMFTEMX-VQTJNVASSA-N 2 2 364.493 3.200 10 0 FGAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CC[C@H](Nc4ccccc4)C3)c2cc1C ZINC000076758169 493966186 /nfs/dbraw/zinc/96/61/86/493966186.db2.gz UJHOCWRQMFTEMX-VQTJNVASSA-N 2 2 364.493 3.200 10 0 FGAELP COc1c(C)cc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1C ZINC000121204729 494646069 /nfs/dbraw/zinc/64/60/69/494646069.db2.gz BDFOVSZXRFVTCJ-UHFFFAOYSA-N 2 2 356.514 3.105 10 0 FGAELP COc1c(C)cc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1C ZINC000121204729 494646075 /nfs/dbraw/zinc/64/60/75/494646075.db2.gz BDFOVSZXRFVTCJ-UHFFFAOYSA-N 2 2 356.514 3.105 10 0 FGAELP Oc1ccc(Br)c(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000092812808 494759843 /nfs/dbraw/zinc/75/98/43/494759843.db2.gz SEIAQOHUCKZODQ-CYBMUJFWSA-N 2 2 362.271 3.484 10 0 FGAELP Oc1ccc(Br)c(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000092812808 494759850 /nfs/dbraw/zinc/75/98/50/494759850.db2.gz SEIAQOHUCKZODQ-CYBMUJFWSA-N 2 2 362.271 3.484 10 0 FGAELP Cc1cccc(Cl)c1NC(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000132300783 494853093 /nfs/dbraw/zinc/85/30/93/494853093.db2.gz BDZDTGFFDPTESK-HNNXBMFYSA-N 2 2 358.873 3.416 10 0 FGAELP Cc1cccc(Cl)c1NC(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000132300783 494853096 /nfs/dbraw/zinc/85/30/96/494853096.db2.gz BDZDTGFFDPTESK-HNNXBMFYSA-N 2 2 358.873 3.416 10 0 FGAELP Cc1ncc(C[NH+]2CCN(Cc3c[nH+]c(C)n3-c3ccccc3)CC2)s1 ZINC000120442624 495379626 /nfs/dbraw/zinc/37/96/26/495379626.db2.gz ATCWLEKTCKZOMC-UHFFFAOYSA-N 2 2 367.522 3.263 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@H](O)COc2c(C)cccc2C)C1 ZINC000106214307 495433279 /nfs/dbraw/zinc/43/32/79/495433279.db2.gz XTPNHOIFAKOMMU-OALUTQOASA-N 2 2 357.498 3.139 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@H](O)COc2c(C)cccc2C)C1 ZINC000106214307 495433281 /nfs/dbraw/zinc/43/32/81/495433281.db2.gz XTPNHOIFAKOMMU-OALUTQOASA-N 2 2 357.498 3.139 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)Nc2cc(C)ccc2OC)C1 ZINC000106216805 495435129 /nfs/dbraw/zinc/43/51/29/495435129.db2.gz HUKUQHJFXZCGSG-INIZCTEOSA-N 2 2 356.470 3.038 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)Nc2cc(C)ccc2OC)C1 ZINC000106216805 495435132 /nfs/dbraw/zinc/43/51/32/495435132.db2.gz HUKUQHJFXZCGSG-INIZCTEOSA-N 2 2 356.470 3.038 10 0 FGAELP C[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000130832905 495453254 /nfs/dbraw/zinc/45/32/54/495453254.db2.gz SERHBASQTNTQLF-HNNXBMFYSA-N 2 2 359.905 3.075 10 0 FGAELP C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000130832905 495453255 /nfs/dbraw/zinc/45/32/55/495453255.db2.gz SERHBASQTNTQLF-HNNXBMFYSA-N 2 2 359.905 3.075 10 0 FGAELP CC(C)CNC(=O)c1cccc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000171057807 495706579 /nfs/dbraw/zinc/70/65/79/495706579.db2.gz LNRCRVITVKQVMD-LJQANCHMSA-N 2 2 366.509 3.401 10 0 FGAELP CC(C)CNC(=O)c1cccc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000171057807 495706588 /nfs/dbraw/zinc/70/65/88/495706588.db2.gz LNRCRVITVKQVMD-LJQANCHMSA-N 2 2 366.509 3.401 10 0 FGAELP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1cc(Cl)ccc1OC(F)F ZINC000151321071 495804750 /nfs/dbraw/zinc/80/47/50/495804750.db2.gz QVUOQIZXXUVQAN-OCCSQVGLSA-N 2 2 362.848 3.439 10 0 FGAELP Cc1cccc(NC[C@H]2CCN(c3cc(C)[nH+]c(-c4ccncc4)n3)C2)[nH+]1 ZINC000171365283 495839422 /nfs/dbraw/zinc/83/94/22/495839422.db2.gz HCAPOEXFYUSXON-QGZVFWFLSA-N 2 2 360.465 3.489 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@H+](Cc3nccn3CC(F)(F)F)C2)[nH+]1 ZINC000171382888 495847384 /nfs/dbraw/zinc/84/73/84/495847384.db2.gz YODHNZPQWMKYIF-CQSZACIVSA-N 2 2 353.392 3.083 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3nccn3CC(F)(F)F)C2)[nH+]1 ZINC000171382888 495847386 /nfs/dbraw/zinc/84/73/86/495847386.db2.gz YODHNZPQWMKYIF-CQSZACIVSA-N 2 2 353.392 3.083 10 0 FGAELP OC1CC[NH+](CCC[NH2+]C2c3ccccc3CCc3ccccc32)CC1 ZINC000180212443 495909169 /nfs/dbraw/zinc/90/91/69/495909169.db2.gz HMQPWEBQYVOKQS-UHFFFAOYSA-N 2 2 350.506 3.311 10 0 FGAELP CC(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000171645039 495964106 /nfs/dbraw/zinc/96/41/06/495964106.db2.gz DPMVLGIRMQVYKT-FQEVSTJZSA-N 2 2 366.509 3.253 10 0 FGAELP CC(C)N(Cc1ccccc1)C(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000171645039 495964112 /nfs/dbraw/zinc/96/41/12/495964112.db2.gz DPMVLGIRMQVYKT-FQEVSTJZSA-N 2 2 366.509 3.253 10 0 FGAELP C[C@H](NC(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)c1ccc(Cl)cc1 ZINC000171645814 495964779 /nfs/dbraw/zinc/96/47/79/495964779.db2.gz CUSCFOYDIUKCAV-JKSUJKDBSA-N 2 2 372.900 3.346 10 0 FGAELP C[C@H](NC(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)c1ccc(Cl)cc1 ZINC000171645814 495964780 /nfs/dbraw/zinc/96/47/80/495964780.db2.gz CUSCFOYDIUKCAV-JKSUJKDBSA-N 2 2 372.900 3.346 10 0 FGAELP CCO[C@@H]1C[C@@H]([NH2+]Cc2c[nH+]c(C)n2-c2ccccc2)C12CCOCC2 ZINC000186365818 495967336 /nfs/dbraw/zinc/96/73/36/495967336.db2.gz LSXOORHYSNJKLV-WOJBJXKFSA-N 2 2 355.482 3.245 10 0 FGAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)CCc2ccc(OC)cc2)nc[nH+]1 ZINC000180570314 496048607 /nfs/dbraw/zinc/04/86/07/496048607.db2.gz AKGGCCYTUMVIMG-SJLPKXTDSA-N 2 2 369.513 3.107 10 0 FGAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](CC(C)C)c2ccccn2)nc[nH+]1 ZINC000180573243 496049941 /nfs/dbraw/zinc/04/99/41/496049941.db2.gz MULDWURBHDEQSN-WMZOPIPTSA-N 2 2 354.502 3.259 10 0 FGAELP C[C@H]([NH2+]CC(=O)NCc1cccc(Cl)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180660607 496092816 /nfs/dbraw/zinc/09/28/16/496092816.db2.gz UUJFCUIDAPGXAG-HNNXBMFYSA-N 2 2 368.868 3.493 10 0 FGAELP C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)c1ccccc1 ZINC000177518763 496094734 /nfs/dbraw/zinc/09/47/34/496094734.db2.gz AEFNCESNHHWJSK-IEBWSBKVSA-N 2 2 369.513 3.187 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCc2nc(-c3ccccc3)no2)C1 ZINC000157999077 496604900 /nfs/dbraw/zinc/60/49/00/496604900.db2.gz AOCLEDWGEDAHKX-QGZVFWFLSA-N 2 2 351.454 3.375 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCc2nc(-c3ccccc3)no2)C1 ZINC000157999077 496604902 /nfs/dbraw/zinc/60/49/02/496604902.db2.gz AOCLEDWGEDAHKX-QGZVFWFLSA-N 2 2 351.454 3.375 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccc3c(c2)sc(=O)n3C)C1 ZINC000195014367 496791702 /nfs/dbraw/zinc/79/17/02/496791702.db2.gz DFKDMTAEBLCUGH-HNNXBMFYSA-N 2 2 356.495 3.196 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccc3c(c2)sc(=O)n3C)C1 ZINC000195014367 496791706 /nfs/dbraw/zinc/79/17/06/496791706.db2.gz DFKDMTAEBLCUGH-HNNXBMFYSA-N 2 2 356.495 3.196 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@@H](O)CO[C@H]1CCCc2ccccc21 ZINC000247205568 496806164 /nfs/dbraw/zinc/80/61/64/496806164.db2.gz XLOIAFREQBPPEN-VWPQPMDRSA-N 2 2 369.509 3.111 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@@H](O)CO[C@H]1CCCc2ccccc21 ZINC000247205568 496806167 /nfs/dbraw/zinc/80/61/67/496806167.db2.gz XLOIAFREQBPPEN-VWPQPMDRSA-N 2 2 369.509 3.111 10 0 FGAELP CCc1cccc(OCC[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000195291373 496877105 /nfs/dbraw/zinc/87/71/05/496877105.db2.gz JCZVPMZMVUDCFM-OAQYLSRUSA-N 2 2 353.510 3.477 10 0 FGAELP CCc1cccc(OCC[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000195291373 496877108 /nfs/dbraw/zinc/87/71/08/496877108.db2.gz JCZVPMZMVUDCFM-OAQYLSRUSA-N 2 2 353.510 3.477 10 0 FGAELP CCc1cccc(OCC[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)c1 ZINC000195291373 496877114 /nfs/dbraw/zinc/87/71/14/496877114.db2.gz JCZVPMZMVUDCFM-OAQYLSRUSA-N 2 2 353.510 3.477 10 0 FGAELP CCc1cccc(OCC[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)c1 ZINC000195291373 496877118 /nfs/dbraw/zinc/87/71/18/496877118.db2.gz JCZVPMZMVUDCFM-OAQYLSRUSA-N 2 2 353.510 3.477 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(C)cc2C)C1 ZINC000247604067 496895579 /nfs/dbraw/zinc/89/55/79/496895579.db2.gz LKQDGPLBFGFZQP-RTBURBONSA-N 2 2 357.498 3.139 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(C)cc2C)C1 ZINC000247604067 496895584 /nfs/dbraw/zinc/89/55/84/496895584.db2.gz LKQDGPLBFGFZQP-RTBURBONSA-N 2 2 357.498 3.139 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N2CCC[C@@H]3CCCC[C@H]32)C1 ZINC000247780119 496914261 /nfs/dbraw/zinc/91/42/61/496914261.db2.gz RRWXCPQBJVHFGJ-IPMKNSEASA-N 2 2 358.530 3.264 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N2CCC[C@@H]3CCCC[C@H]32)C1 ZINC000247780119 496914266 /nfs/dbraw/zinc/91/42/66/496914266.db2.gz RRWXCPQBJVHFGJ-IPMKNSEASA-N 2 2 358.530 3.264 10 0 FGAELP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)C12CCOCC2 ZINC000248975800 497143466 /nfs/dbraw/zinc/14/34/66/497143466.db2.gz HPCNDENBYXEDJJ-AYWYSENESA-N 2 2 358.526 3.386 10 0 FGAELP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)C12CCOCC2 ZINC000248975800 497143469 /nfs/dbraw/zinc/14/34/69/497143469.db2.gz HPCNDENBYXEDJJ-AYWYSENESA-N 2 2 358.526 3.386 10 0 FGAELP C[N@H+](CCSCc1ccccc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000192575898 497154679 /nfs/dbraw/zinc/15/46/79/497154679.db2.gz VRTXBFQCMSWZED-UHFFFAOYSA-N 2 2 358.555 3.213 10 0 FGAELP C[N@@H+](CCSCc1ccccc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000192575898 497154684 /nfs/dbraw/zinc/15/46/84/497154684.db2.gz VRTXBFQCMSWZED-UHFFFAOYSA-N 2 2 358.555 3.213 10 0 FGAELP CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000236875547 497161290 /nfs/dbraw/zinc/16/12/90/497161290.db2.gz KWENAYCOLNATEX-ZSZQSSIHSA-N 2 2 365.468 3.078 10 0 FGAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCC[C@@H](C(F)(F)F)C3)c2cc1C ZINC000249719686 497237518 /nfs/dbraw/zinc/23/75/18/497237518.db2.gz LLYLBZVUHZWDCZ-CABCVRRESA-N 2 2 355.404 3.288 10 0 FGAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCC[C@@H](C(F)(F)F)C3)c2cc1C ZINC000249719686 497237523 /nfs/dbraw/zinc/23/75/23/497237523.db2.gz LLYLBZVUHZWDCZ-CABCVRRESA-N 2 2 355.404 3.288 10 0 FGAELP C[C@@H]([NH2+]CC(=O)Nc1cc(F)cc(F)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189889130 497282600 /nfs/dbraw/zinc/28/26/00/497282600.db2.gz RPRXVJUUBNMNLG-CYBMUJFWSA-N 2 2 356.376 3.440 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@@H+]([C@@H](C)c3ccc(S(C)(=O)=O)cc3)C2)[nH+]1 ZINC000189896418 497284685 /nfs/dbraw/zinc/28/46/85/497284685.db2.gz DZVMKLXAHYFKFO-DLBZAZTESA-N 2 2 373.522 3.289 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@H+]([C@@H](C)c3ccc(S(C)(=O)=O)cc3)C2)[nH+]1 ZINC000189896418 497284692 /nfs/dbraw/zinc/28/46/92/497284692.db2.gz DZVMKLXAHYFKFO-DLBZAZTESA-N 2 2 373.522 3.289 10 0 FGAELP Cc1c(-c2cc(C[NH2+][C@@H](C)c3cccc(-n4cc[nH+]c4)c3)on2)cnn1C ZINC000189903556 497287759 /nfs/dbraw/zinc/28/77/59/497287759.db2.gz IEYLJWLXXMFLML-AWEZNQCLSA-N 2 2 362.437 3.420 10 0 FGAELP CC(=O)c1ccc(NC(=O)C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000189914871 497291128 /nfs/dbraw/zinc/29/11/28/497291128.db2.gz GRNSEHXZXANCLS-HNNXBMFYSA-N 2 2 362.433 3.364 10 0 FGAELP [NH3+]C[C@@H](NC(=O)c1ccccc1SCc1cn2ccccc2[nH+]1)C1CC1 ZINC000238093392 497338526 /nfs/dbraw/zinc/33/85/26/497338526.db2.gz WNCOOSOZCKVXOG-QGZVFWFLSA-N 2 2 366.490 3.094 10 0 FGAELP CCn1ccnc1C[N@H+](Cc1cc(F)ccc1C)[C@H]1CC12CC[NH2+]CC2 ZINC000261640730 497426633 /nfs/dbraw/zinc/42/66/33/497426633.db2.gz DKTUKUVKDTTYKI-IBGZPJMESA-N 2 2 356.489 3.495 10 0 FGAELP CCn1ccnc1C[N@@H+](Cc1cc(F)ccc1C)[C@H]1CC12CC[NH2+]CC2 ZINC000261640730 497426638 /nfs/dbraw/zinc/42/66/38/497426638.db2.gz DKTUKUVKDTTYKI-IBGZPJMESA-N 2 2 356.489 3.495 10 0 FGAELP CCOc1ccccc1NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261858768 497464354 /nfs/dbraw/zinc/46/43/54/497464354.db2.gz WGHHVMZFPCRQNR-QRQLOZEOSA-N 2 2 367.493 3.087 10 0 FGAELP CCOc1ccccc1NC(=O)[C@@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261858768 497464357 /nfs/dbraw/zinc/46/43/57/497464357.db2.gz WGHHVMZFPCRQNR-QRQLOZEOSA-N 2 2 367.493 3.087 10 0 FGAELP COc1ccccc1C[C@H](C)[N@H+](Cc1noc(C[NH3+])n1)Cc1ccccc1 ZINC000262119782 497510312 /nfs/dbraw/zinc/51/03/12/497510312.db2.gz BYWSUMGCGTWBOB-INIZCTEOSA-N 2 2 366.465 3.170 10 0 FGAELP COc1ccccc1C[C@H](C)[N@@H+](Cc1noc(C[NH3+])n1)Cc1ccccc1 ZINC000262119782 497510316 /nfs/dbraw/zinc/51/03/16/497510316.db2.gz BYWSUMGCGTWBOB-INIZCTEOSA-N 2 2 366.465 3.170 10 0 FGAELP Cc1ccc([C@H](C)NC(=O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1C ZINC000246084080 497616308 /nfs/dbraw/zinc/61/63/08/497616308.db2.gz DZIDKXWLCJDMHJ-OALUTQOASA-N 2 2 366.509 3.310 10 0 FGAELP Cc1ccc([C@H](C)NC(=O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1C ZINC000246084080 497616311 /nfs/dbraw/zinc/61/63/11/497616311.db2.gz DZIDKXWLCJDMHJ-OALUTQOASA-N 2 2 366.509 3.310 10 0 FGAELP Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000246152141 497639838 /nfs/dbraw/zinc/63/98/38/497639838.db2.gz PQYBAJWQZUCPTJ-ROUUACIJSA-N 2 2 352.482 3.459 10 0 FGAELP Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000246152141 497639842 /nfs/dbraw/zinc/63/98/42/497639842.db2.gz PQYBAJWQZUCPTJ-ROUUACIJSA-N 2 2 352.482 3.459 10 0 FGAELP C[C@@H](NC(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000246177377 497648025 /nfs/dbraw/zinc/64/80/25/497648025.db2.gz LPYGRYBAOWMBAS-FGTMMUONSA-N 2 2 369.513 3.353 10 0 FGAELP C[C@@H](NC(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000246177377 497648031 /nfs/dbraw/zinc/64/80/31/497648031.db2.gz LPYGRYBAOWMBAS-FGTMMUONSA-N 2 2 369.513 3.353 10 0 FGAELP CCOC(=O)C1CCC(O)(C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000191045795 497693513 /nfs/dbraw/zinc/69/35/13/497693513.db2.gz YXRKOMHIYXCQAH-BQJIDLTASA-N 2 2 371.481 3.007 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)c2nc(-c3cccnc3)no2)C1 ZINC000246650225 497794707 /nfs/dbraw/zinc/79/47/07/497794707.db2.gz FDPTVJOHBKVYFD-GDBMZVCRSA-N 2 2 352.442 3.289 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)c2nc(-c3cccnc3)no2)C1 ZINC000246650225 497794710 /nfs/dbraw/zinc/79/47/10/497794710.db2.gz FDPTVJOHBKVYFD-GDBMZVCRSA-N 2 2 352.442 3.289 10 0 FGAELP CCCC[NH+]1CCC(NC(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000073967567 494457999 /nfs/dbraw/zinc/45/79/99/494457999.db2.gz MQZZDWVZQIEONG-KRWDZBQOSA-N 2 2 369.513 3.497 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cn(-c2ccc(Cl)cc2)nn1 ZINC000119616907 495202457 /nfs/dbraw/zinc/20/24/57/495202457.db2.gz DUXNBTTZBZOIOR-GOSISDBHSA-N 2 2 356.861 3.090 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cn(-c2ccc(Cl)cc2)nn1 ZINC000119616907 495202458 /nfs/dbraw/zinc/20/24/58/495202458.db2.gz DUXNBTTZBZOIOR-GOSISDBHSA-N 2 2 356.861 3.090 10 0 FGAELP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000134879943 495214363 /nfs/dbraw/zinc/21/43/63/495214363.db2.gz JRZPVQRIZFOHEM-MHYXUVESSA-N 2 2 355.526 3.201 10 0 FGAELP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000134879943 495214368 /nfs/dbraw/zinc/21/43/68/495214368.db2.gz JRZPVQRIZFOHEM-MHYXUVESSA-N 2 2 355.526 3.201 10 0 FGAELP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000134879943 495214371 /nfs/dbraw/zinc/21/43/71/495214371.db2.gz JRZPVQRIZFOHEM-MHYXUVESSA-N 2 2 355.526 3.201 10 0 FGAELP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000134879943 495214374 /nfs/dbraw/zinc/21/43/74/495214374.db2.gz JRZPVQRIZFOHEM-MHYXUVESSA-N 2 2 355.526 3.201 10 0 FGAELP O=C(CC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)NCc1ccccc1Cl ZINC000103473680 495237595 /nfs/dbraw/zinc/23/75/95/495237595.db2.gz CIKIAQDAVCGQBZ-MRXNPFEDSA-N 2 2 372.900 3.175 10 0 FGAELP O=C(CC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)NCc1ccccc1Cl ZINC000103473680 495237598 /nfs/dbraw/zinc/23/75/98/495237598.db2.gz CIKIAQDAVCGQBZ-MRXNPFEDSA-N 2 2 372.900 3.175 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)NC2(c3ccccc3)CCC2)C1 ZINC000106212942 495433043 /nfs/dbraw/zinc/43/30/43/495433043.db2.gz ZSXNTYPQJYRINC-LJQANCHMSA-N 2 2 366.509 3.278 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)NC2(c3ccccc3)CCC2)C1 ZINC000106212942 495433050 /nfs/dbraw/zinc/43/30/50/495433050.db2.gz ZSXNTYPQJYRINC-LJQANCHMSA-N 2 2 366.509 3.278 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc(C(C)=O)c2)C1 ZINC000106217602 495436553 /nfs/dbraw/zinc/43/65/53/495436553.db2.gz WKIJKFVTHLBPDJ-HNAYVOBHSA-N 2 2 368.481 3.312 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc(C(C)=O)c2)C1 ZINC000106217602 495436555 /nfs/dbraw/zinc/43/65/55/495436555.db2.gz WKIJKFVTHLBPDJ-HNAYVOBHSA-N 2 2 368.481 3.312 10 0 FGAELP Cc1ccc(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1Oc1cc[nH+]cc1 ZINC000115045701 495456897 /nfs/dbraw/zinc/45/68/97/495456897.db2.gz BOTWABVERGVEER-GOSISDBHSA-N 2 2 351.450 3.493 10 0 FGAELP Cc1ccc(C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cc1Oc1cc[nH+]cc1 ZINC000115045701 495456901 /nfs/dbraw/zinc/45/69/01/495456901.db2.gz BOTWABVERGVEER-GOSISDBHSA-N 2 2 351.450 3.493 10 0 FGAELP C[N@H+](CCc1c(F)cccc1Cl)C1CC[NH+](CCn2cccn2)CC1 ZINC000170942205 495661191 /nfs/dbraw/zinc/66/11/91/495661191.db2.gz CKVVXIDOSGTKID-UHFFFAOYSA-N 2 2 364.896 3.315 10 0 FGAELP C[N@@H+](CCc1c(F)cccc1Cl)C1CC[NH+](CCn2cccn2)CC1 ZINC000170942205 495661195 /nfs/dbraw/zinc/66/11/95/495661195.db2.gz CKVVXIDOSGTKID-UHFFFAOYSA-N 2 2 364.896 3.315 10 0 FGAELP CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173999212 495782798 /nfs/dbraw/zinc/78/27/98/495782798.db2.gz QPHHFOCLKSDDAC-SJLPKXTDSA-N 2 2 357.502 3.209 10 0 FGAELP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1F ZINC000171644271 495965080 /nfs/dbraw/zinc/96/50/80/495965080.db2.gz XZRMMMVLTOXGNJ-JKSUJKDBSA-N 2 2 356.445 3.290 10 0 FGAELP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1F ZINC000171644271 495965089 /nfs/dbraw/zinc/96/50/89/495965089.db2.gz XZRMMMVLTOXGNJ-JKSUJKDBSA-N 2 2 356.445 3.290 10 0 FGAELP Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000171648302 495968490 /nfs/dbraw/zinc/96/84/90/495968490.db2.gz NIGHBFOZPICDJF-HNNXBMFYSA-N 2 2 358.873 3.416 10 0 FGAELP Cc1c(Cl)cccc1NC(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000171648302 495968495 /nfs/dbraw/zinc/96/84/95/495968495.db2.gz NIGHBFOZPICDJF-HNNXBMFYSA-N 2 2 358.873 3.416 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@H+](Cc3nc(-c4ccsc4)no3)C2)[nH+]1 ZINC000171651182 495970317 /nfs/dbraw/zinc/97/03/17/495970317.db2.gz AZSMRTHNJHYQPR-CQSZACIVSA-N 2 2 355.467 3.436 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3nc(-c4ccsc4)no3)C2)[nH+]1 ZINC000171651182 495970325 /nfs/dbraw/zinc/97/03/25/495970325.db2.gz AZSMRTHNJHYQPR-CQSZACIVSA-N 2 2 355.467 3.436 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)Nc3cccc(Cl)c3)C2)[nH+]1 ZINC000171653104 495971888 /nfs/dbraw/zinc/97/18/88/495971888.db2.gz ISPHLLCUDZPOLA-OAHLLOKOSA-N 2 2 358.873 3.416 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)Nc3cccc(Cl)c3)C2)[nH+]1 ZINC000171653104 495971891 /nfs/dbraw/zinc/97/18/91/495971891.db2.gz ISPHLLCUDZPOLA-OAHLLOKOSA-N 2 2 358.873 3.416 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)Nc3cccc(C)c3C)C2)[nH+]1 ZINC000171653433 495974371 /nfs/dbraw/zinc/97/43/71/495974371.db2.gz FKPLXCUJZRNTHR-SFHVURJKSA-N 2 2 352.482 3.379 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)Nc3cccc(C)c3C)C2)[nH+]1 ZINC000171653433 495974375 /nfs/dbraw/zinc/97/43/75/495974375.db2.gz FKPLXCUJZRNTHR-SFHVURJKSA-N 2 2 352.482 3.379 10 0 FGAELP C[C@H]([NH2+]CC(=O)Nc1cc(F)ccc1F)c1cccc(-n2cc[nH+]c2)c1 ZINC000180656970 496089835 /nfs/dbraw/zinc/08/98/35/496089835.db2.gz OPMDGCLZKFMLHY-ZDUSSCGKSA-N 2 2 356.376 3.440 10 0 FGAELP C[C@@H](c1nc2ccccc2o1)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000181097305 496269375 /nfs/dbraw/zinc/26/93/75/496269375.db2.gz BRRQTGSOJYDAQA-INIZCTEOSA-N 2 2 353.470 3.182 10 0 FGAELP C[C@@H](c1nc2ccccc2o1)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000181097305 496269377 /nfs/dbraw/zinc/26/93/77/496269377.db2.gz BRRQTGSOJYDAQA-INIZCTEOSA-N 2 2 353.470 3.182 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@@H]2CN(c3ccccc3)C(=O)O2)C1 ZINC000172794205 496434311 /nfs/dbraw/zinc/43/43/11/496434311.db2.gz AWWHEFSFOFSXOF-QZTJIDSGSA-N 2 2 354.454 3.108 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@@H]2CN(c3ccccc3)C(=O)O2)C1 ZINC000172794205 496434316 /nfs/dbraw/zinc/43/43/16/496434316.db2.gz AWWHEFSFOFSXOF-QZTJIDSGSA-N 2 2 354.454 3.108 10 0 FGAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H]2CCCc3c(OC)cccc32)nc[nH+]1 ZINC000194921631 496760834 /nfs/dbraw/zinc/76/08/34/496760834.db2.gz LCBUWJOOFHHMCO-CRAIPNDOSA-N 2 2 367.497 3.163 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@@H](O)COc1ccccc1C(C)C ZINC000247153834 496794233 /nfs/dbraw/zinc/79/42/33/496794233.db2.gz UKWVPYQABKKTKL-RTBURBONSA-N 2 2 357.498 3.219 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@@H](O)COc1ccccc1C(C)C ZINC000247153834 496794235 /nfs/dbraw/zinc/79/42/35/496794235.db2.gz UKWVPYQABKKTKL-RTBURBONSA-N 2 2 357.498 3.219 10 0 FGAELP CCN(C(=O)[C@@H](C)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)C1CCCCC1 ZINC000247414150 496854587 /nfs/dbraw/zinc/85/45/87/496854587.db2.gz SZRXYNVIJRTCRC-MSOLQXFVSA-N 2 2 358.530 3.385 10 0 FGAELP CCN(C(=O)[C@@H](C)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)C1CCCCC1 ZINC000247414150 496854590 /nfs/dbraw/zinc/85/45/90/496854590.db2.gz SZRXYNVIJRTCRC-MSOLQXFVSA-N 2 2 358.530 3.385 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2c(F)cccc2F)C1 ZINC000247581014 496892534 /nfs/dbraw/zinc/89/25/34/496892534.db2.gz IKXSOJJNNGHAPX-KGLIPLIRSA-N 2 2 362.424 3.388 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2c(F)cccc2F)C1 ZINC000247581014 496892535 /nfs/dbraw/zinc/89/25/35/496892535.db2.gz IKXSOJJNNGHAPX-KGLIPLIRSA-N 2 2 362.424 3.388 10 0 FGAELP CCO[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C12CCOCC2 ZINC000248982761 497144459 /nfs/dbraw/zinc/14/44/59/497144459.db2.gz JGHNKNPTQSMWPB-ZIBCJSCZSA-N 2 2 358.526 3.213 10 0 FGAELP CCO[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)C12CCOCC2 ZINC000248982761 497144464 /nfs/dbraw/zinc/14/44/64/497144464.db2.gz JGHNKNPTQSMWPB-ZIBCJSCZSA-N 2 2 358.526 3.213 10 0 FGAELP Cn1ccnc1C[N@H+](C/C=C/c1ccc(F)cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000261884617 497467475 /nfs/dbraw/zinc/46/74/75/497467475.db2.gz PSGRWNOWDPBUOA-LSTKMXGYSA-N 2 2 354.473 3.217 10 0 FGAELP Cn1ccnc1C[N@@H+](C/C=C/c1ccc(F)cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000261884617 497467479 /nfs/dbraw/zinc/46/74/79/497467479.db2.gz PSGRWNOWDPBUOA-LSTKMXGYSA-N 2 2 354.473 3.217 10 0 FGAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000190479912 497497066 /nfs/dbraw/zinc/49/70/66/497497066.db2.gz SGCANFUZOYEJFE-FQEVSTJZSA-N 2 2 361.493 3.221 10 0 FGAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000190479912 497497071 /nfs/dbraw/zinc/49/70/71/497497071.db2.gz SGCANFUZOYEJFE-FQEVSTJZSA-N 2 2 361.493 3.221 10 0 FGAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000190479912 497497080 /nfs/dbraw/zinc/49/70/80/497497080.db2.gz SGCANFUZOYEJFE-FQEVSTJZSA-N 2 2 361.493 3.221 10 0 FGAELP COCCOc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)cc1 ZINC000190481948 497498362 /nfs/dbraw/zinc/49/83/62/497498362.db2.gz WSEAXHJBXZCSDB-OAQYLSRUSA-N 2 2 369.509 3.061 10 0 FGAELP COCCOc1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)cc1 ZINC000190481948 497498367 /nfs/dbraw/zinc/49/83/67/497498367.db2.gz WSEAXHJBXZCSDB-OAQYLSRUSA-N 2 2 369.509 3.061 10 0 FGAELP COCCOc1ccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)cc1 ZINC000190481948 497498372 /nfs/dbraw/zinc/49/83/72/497498372.db2.gz WSEAXHJBXZCSDB-OAQYLSRUSA-N 2 2 369.509 3.061 10 0 FGAELP COCCOc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)cc1 ZINC000190481948 497498375 /nfs/dbraw/zinc/49/83/75/497498375.db2.gz WSEAXHJBXZCSDB-OAQYLSRUSA-N 2 2 369.509 3.061 10 0 FGAELP COc1ccccc1C[C@@H](C)[N@H+](Cc1noc(C[NH3+])n1)Cc1ccccc1 ZINC000262121222 497512155 /nfs/dbraw/zinc/51/21/55/497512155.db2.gz BYWSUMGCGTWBOB-MRXNPFEDSA-N 2 2 366.465 3.170 10 0 FGAELP COc1ccccc1C[C@@H](C)[N@@H+](Cc1noc(C[NH3+])n1)Cc1ccccc1 ZINC000262121222 497512162 /nfs/dbraw/zinc/51/21/62/497512162.db2.gz BYWSUMGCGTWBOB-MRXNPFEDSA-N 2 2 366.465 3.170 10 0 FGAELP [NH3+][C@@H]1CC[C@@H](C(=O)Nc2ccc3[nH]c(Cc4ccccc4F)[nH+]c3c2)C1 ZINC000262643210 497589963 /nfs/dbraw/zinc/58/99/63/497589963.db2.gz JJSWKXBQDOSOLP-ZIAGYGMSSA-N 2 2 352.413 3.359 10 0 FGAELP C[C@@H](C(=O)Nc1c(F)cccc1F)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246068828 497611345 /nfs/dbraw/zinc/61/13/45/497611345.db2.gz BKBLHAGOOLICNO-KBPBESRZSA-N 2 2 360.408 3.121 10 0 FGAELP C[C@@H](C(=O)Nc1c(F)cccc1F)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246068828 497611350 /nfs/dbraw/zinc/61/13/50/497611350.db2.gz BKBLHAGOOLICNO-KBPBESRZSA-N 2 2 360.408 3.121 10 0 FGAELP CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246075213 497612548 /nfs/dbraw/zinc/61/25/48/497612548.db2.gz CMZSETGWDHZMQM-IRXDYDNUSA-N 2 2 371.485 3.309 10 0 FGAELP CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246075213 497612554 /nfs/dbraw/zinc/61/25/54/497612554.db2.gz CMZSETGWDHZMQM-IRXDYDNUSA-N 2 2 371.485 3.309 10 0 FGAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H]2CCSc3ccccc32)nc[nH+]1 ZINC000246311532 497692429 /nfs/dbraw/zinc/69/24/29/497692429.db2.gz DTRPAEJFEOQKHV-ZBFHGGJFSA-N 2 2 355.511 3.314 10 0 FGAELP CC[C@H]([NH2+]CCCn1cc[nH+]c1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000188645254 712773957 /nfs/dbraw/zinc/77/39/57/712773957.db2.gz YIAGXMVYPKOETE-IRXDYDNUSA-N 2 2 350.507 3.431 10 0 FGAELP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1nnc2n1CCCC2 ZINC000249037897 257370785 /nfs/dbraw/zinc/37/07/85/257370785.db2.gz TWZWGQFRQRZRFJ-FRYIKTPZSA-N 2 2 365.525 3.461 10 0 FGAELP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1nnc2n1CCCC2 ZINC000249037897 257370786 /nfs/dbraw/zinc/37/07/86/257370786.db2.gz TWZWGQFRQRZRFJ-FRYIKTPZSA-N 2 2 365.525 3.461 10 0 FGAELP Cc1[nH+]ccn1-c1ccc([C@@H](C)[N@@H+]2CCC[C@]3(CCS(=O)(=O)C3)C2)cc1 ZINC000333380822 257386166 /nfs/dbraw/zinc/38/61/66/257386166.db2.gz BDJLEPQCDWJFSZ-UZLBHIALSA-N 2 2 373.522 3.142 10 0 FGAELP Cc1[nH+]ccn1-c1ccc([C@@H](C)[N@H+]2CCC[C@]3(CCS(=O)(=O)C3)C2)cc1 ZINC000333380822 257386168 /nfs/dbraw/zinc/38/61/68/257386168.db2.gz BDJLEPQCDWJFSZ-UZLBHIALSA-N 2 2 373.522 3.142 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cc(OC)c(OC)c(OC)c2)C1 ZINC000122931660 495054916 /nfs/dbraw/zinc/05/49/16/495054916.db2.gz BQLIYWWCTMEJHG-MRXNPFEDSA-N 2 2 359.470 3.308 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cc(OC)c(OC)c(OC)c2)C1 ZINC000122931660 495054920 /nfs/dbraw/zinc/05/49/20/495054920.db2.gz BQLIYWWCTMEJHG-MRXNPFEDSA-N 2 2 359.470 3.308 10 0 FGAELP Cc1ccccc1[C@@H](C)[NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000102683699 495152929 /nfs/dbraw/zinc/15/29/29/495152929.db2.gz QWKWEYBGJUZXIA-QGZVFWFLSA-N 2 2 357.523 3.052 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H]2CCN(c3c(F)cccc3F)C2=O)C1 ZINC000120602810 495415555 /nfs/dbraw/zinc/41/55/55/495415555.db2.gz LNFNNAFOVQMHFT-WMLDXEAASA-N 2 2 374.435 3.166 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H]2CCN(c3c(F)cccc3F)C2=O)C1 ZINC000120602810 495415556 /nfs/dbraw/zinc/41/55/56/495415556.db2.gz LNFNNAFOVQMHFT-WMLDXEAASA-N 2 2 374.435 3.166 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)Nc2cccc(SC)c2)C1 ZINC000106217728 495436619 /nfs/dbraw/zinc/43/66/19/495436619.db2.gz MJJAVGHBYRUWTK-INIZCTEOSA-N 2 2 358.511 3.443 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(SC)c2)C1 ZINC000106217728 495436620 /nfs/dbraw/zinc/43/66/20/495436620.db2.gz MJJAVGHBYRUWTK-INIZCTEOSA-N 2 2 358.511 3.443 10 0 FGAELP O=C1[C@H]([N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)CCCN1c1cccc(F)c1 ZINC000115539656 495514533 /nfs/dbraw/zinc/51/45/33/495514533.db2.gz GTIWSYQDWKXFDV-QFBILLFUSA-N 2 2 368.456 3.150 10 0 FGAELP O=C1[C@H]([N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)CCCN1c1cccc(F)c1 ZINC000115539656 495514536 /nfs/dbraw/zinc/51/45/36/495514536.db2.gz GTIWSYQDWKXFDV-QFBILLFUSA-N 2 2 368.456 3.150 10 0 FGAELP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000173456150 495537788 /nfs/dbraw/zinc/53/77/88/495537788.db2.gz TYNDPBIRRCITTC-ROUUACIJSA-N 2 2 369.513 3.307 10 0 FGAELP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000173456150 495537789 /nfs/dbraw/zinc/53/77/89/495537789.db2.gz TYNDPBIRRCITTC-ROUUACIJSA-N 2 2 369.513 3.307 10 0 FGAELP COc1ccc([C@@H](C)[NH2+][C@@H]2CCCn3ncnc32)cc1C[NH+]1CCCCC1 ZINC000183090859 495830374 /nfs/dbraw/zinc/83/03/74/495830374.db2.gz DVLSTFHQFPMATD-VQIMIIECSA-N 2 2 369.513 3.458 10 0 FGAELP COc1ccc([C@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000180210550 495908563 /nfs/dbraw/zinc/90/85/63/495908563.db2.gz ZLVCRNRCZDGAAJ-RBBKRZOGSA-N 2 2 354.494 3.221 10 0 FGAELP CC(C)c1ccc([C@H]2C[C@H]2C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000177135081 495941239 /nfs/dbraw/zinc/94/12/39/495941239.db2.gz WYFOXRGTIODVBQ-NHCUHLMSSA-N 2 2 357.542 3.056 10 0 FGAELP C[C@@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1cnc2ccsc2c1 ZINC000151798875 495952330 /nfs/dbraw/zinc/95/23/30/495952330.db2.gz KJSLRIKBPRTCNZ-BEFAXECRSA-N 2 2 367.518 3.366 10 0 FGAELP C[C@@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1cnc2ccsc2c1 ZINC000151798875 495952336 /nfs/dbraw/zinc/95/23/36/495952336.db2.gz KJSLRIKBPRTCNZ-BEFAXECRSA-N 2 2 367.518 3.366 10 0 FGAELP c1ccc(NC[C@H]2CC[N@@H+](CCCOc3ccc4c(c3)OCO4)C2)[nH+]c1 ZINC000171640488 495961202 /nfs/dbraw/zinc/96/12/02/495961202.db2.gz INDINFDRBNYZAC-MRXNPFEDSA-N 2 2 355.438 3.013 10 0 FGAELP c1ccc(NC[C@H]2CC[N@H+](CCCOc3ccc4c(c3)OCO4)C2)[nH+]c1 ZINC000171640488 495961205 /nfs/dbraw/zinc/96/12/05/495961205.db2.gz INDINFDRBNYZAC-MRXNPFEDSA-N 2 2 355.438 3.013 10 0 FGAELP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c(F)c1 ZINC000171643004 495962171 /nfs/dbraw/zinc/96/21/71/495962171.db2.gz FZUOIPANJPNCMQ-JKSUJKDBSA-N 2 2 356.445 3.290 10 0 FGAELP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c(F)c1 ZINC000171643004 495962177 /nfs/dbraw/zinc/96/21/77/495962177.db2.gz FZUOIPANJPNCMQ-JKSUJKDBSA-N 2 2 356.445 3.290 10 0 FGAELP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C12CCOCC2 ZINC000186365290 495967259 /nfs/dbraw/zinc/96/72/59/495967259.db2.gz QTFWVPPBZYNURR-FFZOFVMBSA-N 2 2 355.482 3.497 10 0 FGAELP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177387495 496041691 /nfs/dbraw/zinc/04/16/91/496041691.db2.gz YASQIVHDJLJIPS-HXUWFJFHSA-N 2 2 369.513 3.098 10 0 FGAELP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177387495 496041697 /nfs/dbraw/zinc/04/16/97/496041697.db2.gz YASQIVHDJLJIPS-HXUWFJFHSA-N 2 2 369.513 3.098 10 0 FGAELP C[C@@H]([NH2+]CC(=O)NCc1ccc(Cl)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180650326 496087183 /nfs/dbraw/zinc/08/71/83/496087183.db2.gz CVSSBOZTZNIZJK-OAHLLOKOSA-N 2 2 368.868 3.493 10 0 FGAELP C[C@@H]([NH2+][C@@H](C)C(=O)NCCc1cccs1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180664309 496093941 /nfs/dbraw/zinc/09/39/41/496093941.db2.gz DJLQCHTYSUMVQA-CVEARBPZSA-N 2 2 368.506 3.332 10 0 FGAELP Cc1ccc2cc(C[N@@H+](C)C3CC[NH+](CCn4cccn4)CC3)ccc2n1 ZINC000187221921 496346646 /nfs/dbraw/zinc/34/66/46/496346646.db2.gz UEPXJNDCPRQENN-UHFFFAOYSA-N 2 2 363.509 3.336 10 0 FGAELP Cc1ccc2cc(C[N@H+](C)C3CC[NH+](CCn4cccn4)CC3)ccc2n1 ZINC000187221921 496346653 /nfs/dbraw/zinc/34/66/53/496346653.db2.gz UEPXJNDCPRQENN-UHFFFAOYSA-N 2 2 363.509 3.336 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000181413181 496385620 /nfs/dbraw/zinc/38/56/20/496385620.db2.gz AYHZDNFFLFHGDY-MRXNPFEDSA-N 2 2 374.851 3.229 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000181413181 496385627 /nfs/dbraw/zinc/38/56/27/496385627.db2.gz AYHZDNFFLFHGDY-MRXNPFEDSA-N 2 2 374.851 3.229 10 0 FGAELP O[C@@H](C[NH2+][C@@H]1CCCOc2cc(F)ccc21)C[N@@H+]1CCc2ccccc2C1 ZINC000181939820 496605839 /nfs/dbraw/zinc/60/58/39/496605839.db2.gz DTBLEXZRAIEYBB-PZJWPPBQSA-N 2 2 370.468 3.048 10 0 FGAELP O[C@@H](C[NH2+][C@@H]1CCCOc2cc(F)ccc21)C[N@H+]1CCc2ccccc2C1 ZINC000181939820 496605842 /nfs/dbraw/zinc/60/58/42/496605842.db2.gz DTBLEXZRAIEYBB-PZJWPPBQSA-N 2 2 370.468 3.048 10 0 FGAELP O=C(NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)[C@H]1CCC[NH2+]C1 ZINC000166671258 496690611 /nfs/dbraw/zinc/69/06/11/496690611.db2.gz XTFAHMQCTUGHCQ-NRFANRHFSA-N 2 2 374.488 3.214 10 0 FGAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)c2ccccc2F)C1 ZINC000195255694 496863935 /nfs/dbraw/zinc/86/39/35/496863935.db2.gz DRDGQBUKVAGCHU-QAPCUYQASA-N 2 2 363.502 3.078 10 0 FGAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)c2ccccc2F)C1 ZINC000195255694 496863940 /nfs/dbraw/zinc/86/39/40/496863940.db2.gz DRDGQBUKVAGCHU-QAPCUYQASA-N 2 2 363.502 3.078 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)c2ccccc2F)C1 ZINC000195255694 496863944 /nfs/dbraw/zinc/86/39/44/496863944.db2.gz DRDGQBUKVAGCHU-QAPCUYQASA-N 2 2 363.502 3.078 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)c2ccccc2F)C1 ZINC000195255694 496863949 /nfs/dbraw/zinc/86/39/49/496863949.db2.gz DRDGQBUKVAGCHU-QAPCUYQASA-N 2 2 363.502 3.078 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)NCc2ccccc2C)C1 ZINC000247594661 496894726 /nfs/dbraw/zinc/89/47/26/496894726.db2.gz JZXJEFJHWXNSCQ-MJGOQNOKSA-N 2 2 354.498 3.096 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)NCc2ccccc2C)C1 ZINC000247594661 496894728 /nfs/dbraw/zinc/89/47/28/496894728.db2.gz JZXJEFJHWXNSCQ-MJGOQNOKSA-N 2 2 354.498 3.096 10 0 FGAELP C[C@H]([NH2+]CC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000248419692 497004826 /nfs/dbraw/zinc/00/48/26/497004826.db2.gz LETWNBURIUZXKE-NHAYFPRASA-N 2 2 354.498 3.464 10 0 FGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000192148843 497013392 /nfs/dbraw/zinc/01/33/92/497013392.db2.gz DCTZVXMWBWCLKB-MRXNPFEDSA-N 2 2 369.490 3.435 10 0 FGAELP CC[N@H+](CC(=O)OC(C)(C)C)C1CCN(c2cc[nH+]c(C(C)C)n2)CC1 ZINC000192241157 497045116 /nfs/dbraw/zinc/04/51/16/497045116.db2.gz LCZIYXOIYQSCIT-UHFFFAOYSA-N 2 2 362.518 3.232 10 0 FGAELP CC[N@@H+](CC(=O)OC(C)(C)C)C1CCN(c2cc[nH+]c(C(C)C)n2)CC1 ZINC000192241157 497045123 /nfs/dbraw/zinc/04/51/23/497045123.db2.gz LCZIYXOIYQSCIT-UHFFFAOYSA-N 2 2 362.518 3.232 10 0 FGAELP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)Cn3c4ccccc4[nH+]c3C3CCCCC3)C[C@H]12 ZINC000248649525 497071216 /nfs/dbraw/zinc/07/12/16/497071216.db2.gz ULKPBPNQKFRWPX-FGTMMUONSA-N 2 2 366.509 3.280 10 0 FGAELP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000245421715 497396738 /nfs/dbraw/zinc/39/67/38/497396738.db2.gz ODFHBAFHQUHQMD-VQIMIIECSA-N 2 2 355.486 3.059 10 0 FGAELP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000245421715 497396743 /nfs/dbraw/zinc/39/67/43/497396743.db2.gz ODFHBAFHQUHQMD-VQIMIIECSA-N 2 2 355.486 3.059 10 0 FGAELP Fc1ccc(-n2ccc(C[N@@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)n2)c(F)c1 ZINC000190242351 497411675 /nfs/dbraw/zinc/41/16/75/497411675.db2.gz SJUWMLHYQFAINK-HNNXBMFYSA-N 2 2 369.419 3.480 10 0 FGAELP Fc1ccc(-n2ccc(C[N@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)n2)c(F)c1 ZINC000190242351 497411679 /nfs/dbraw/zinc/41/16/79/497411679.db2.gz SJUWMLHYQFAINK-HNNXBMFYSA-N 2 2 369.419 3.480 10 0 FGAELP CCc1cccc(CC)c1NC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261711292 497438739 /nfs/dbraw/zinc/43/87/39/497438739.db2.gz KMLVAJCFUQMMQY-RTWAWAEBSA-N 2 2 365.521 3.424 10 0 FGAELP CCc1cccc(CC)c1NC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261711292 497438744 /nfs/dbraw/zinc/43/87/44/497438744.db2.gz KMLVAJCFUQMMQY-RTWAWAEBSA-N 2 2 365.521 3.424 10 0 FGAELP [NH3+][C@H](C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(Cl)c1)C1CCOCC1 ZINC000261753927 497445752 /nfs/dbraw/zinc/44/57/52/497445752.db2.gz LHWBPOXCLHJHDU-KRWDZBQOSA-N 2 2 361.829 3.220 10 0 FGAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc3c2OCCO3)C1 ZINC000190457500 497485610 /nfs/dbraw/zinc/48/56/10/497485610.db2.gz IZYOANNCHMBAJM-INIZCTEOSA-N 2 2 373.522 3.177 10 0 FGAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc3c2OCCO3)C1 ZINC000190457500 497485615 /nfs/dbraw/zinc/48/56/15/497485615.db2.gz IZYOANNCHMBAJM-INIZCTEOSA-N 2 2 373.522 3.177 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc3c2OCCO3)C1 ZINC000190457500 497485626 /nfs/dbraw/zinc/48/56/26/497485626.db2.gz IZYOANNCHMBAJM-INIZCTEOSA-N 2 2 373.522 3.177 10 0 FGAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](Cc2cnn(C(C)(C)C)c2)C1 ZINC000190461696 497488673 /nfs/dbraw/zinc/48/86/73/497488673.db2.gz IVYOSEOQXNOPRD-MRXNPFEDSA-N 2 2 361.559 3.357 10 0 FGAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2cnn(C(C)(C)C)c2)C1 ZINC000190461696 497488676 /nfs/dbraw/zinc/48/86/76/497488676.db2.gz IVYOSEOQXNOPRD-MRXNPFEDSA-N 2 2 361.559 3.357 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](Cc2cnn(C(C)(C)C)c2)C1 ZINC000190461696 497488680 /nfs/dbraw/zinc/48/86/80/497488680.db2.gz IVYOSEOQXNOPRD-MRXNPFEDSA-N 2 2 361.559 3.357 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2cnn(C(C)(C)C)c2)C1 ZINC000190461696 497488684 /nfs/dbraw/zinc/48/86/84/497488684.db2.gz IVYOSEOQXNOPRD-MRXNPFEDSA-N 2 2 361.559 3.357 10 0 FGAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000190471413 497493669 /nfs/dbraw/zinc/49/36/69/497493669.db2.gz GBXLNKLZGZUJOE-IBGZPJMESA-N 2 2 361.493 3.426 10 0 FGAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000190471413 497493672 /nfs/dbraw/zinc/49/36/72/497493672.db2.gz GBXLNKLZGZUJOE-IBGZPJMESA-N 2 2 361.493 3.426 10 0 FGAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000190471413 497493677 /nfs/dbraw/zinc/49/36/77/497493677.db2.gz GBXLNKLZGZUJOE-IBGZPJMESA-N 2 2 361.493 3.426 10 0 FGAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000190471413 497493685 /nfs/dbraw/zinc/49/36/85/497493685.db2.gz GBXLNKLZGZUJOE-IBGZPJMESA-N 2 2 361.493 3.426 10 0 FGAELP CCOc1ccc(C[N@H+](Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)cc1F ZINC000262018940 497494258 /nfs/dbraw/zinc/49/42/58/497494258.db2.gz VZUBIUSOBFKQFL-IBGZPJMESA-N 2 2 372.488 3.102 10 0 FGAELP CCOc1ccc(C[N@@H+](Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)cc1F ZINC000262018940 497494265 /nfs/dbraw/zinc/49/42/65/497494265.db2.gz VZUBIUSOBFKQFL-IBGZPJMESA-N 2 2 372.488 3.102 10 0 FGAELP Cc1nc2n(n1)CCC[C@H]2[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245770204 497533871 /nfs/dbraw/zinc/53/38/71/497533871.db2.gz XDIYNXXRFYOFFO-YSTOQKLRSA-N 2 2 351.498 3.207 10 0 FGAELP Cc1nc2n(n1)CCC[C@H]2[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245770204 497533873 /nfs/dbraw/zinc/53/38/73/497533873.db2.gz XDIYNXXRFYOFFO-YSTOQKLRSA-N 2 2 351.498 3.207 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccc(F)c(F)c3)C2)[nH+]1 ZINC000246077793 497613714 /nfs/dbraw/zinc/61/37/14/497613714.db2.gz DAHUNBOOEWNGLS-CABCVRRESA-N 2 2 374.435 3.429 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccc(F)c(F)c3)C2)[nH+]1 ZINC000246077793 497613717 /nfs/dbraw/zinc/61/37/17/497613717.db2.gz DAHUNBOOEWNGLS-CABCVRRESA-N 2 2 374.435 3.429 10 0 FGAELP C[C@H](C(=O)NCCC1=CCCCC1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246163085 497643665 /nfs/dbraw/zinc/64/36/65/497643665.db2.gz RAXSUIVTFMGVTF-MJGOQNOKSA-N 2 2 356.514 3.211 10 0 FGAELP C[C@H](C(=O)NCCC1=CCCCC1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246163085 497643669 /nfs/dbraw/zinc/64/36/69/497643669.db2.gz RAXSUIVTFMGVTF-MJGOQNOKSA-N 2 2 356.514 3.211 10 0 FGAELP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000246177386 497649049 /nfs/dbraw/zinc/64/90/49/497649049.db2.gz LPYGRYBAOWMBAS-SQNIBIBYSA-N 2 2 369.513 3.353 10 0 FGAELP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000246177386 497649055 /nfs/dbraw/zinc/64/90/55/497649055.db2.gz LPYGRYBAOWMBAS-SQNIBIBYSA-N 2 2 369.513 3.353 10 0 FGAELP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246192536 497655675 /nfs/dbraw/zinc/65/56/75/497655675.db2.gz WPWXVAPVUNJWGP-GJZGRUSLSA-N 2 2 358.873 3.496 10 0 FGAELP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246192536 497655676 /nfs/dbraw/zinc/65/56/76/497655676.db2.gz WPWXVAPVUNJWGP-GJZGRUSLSA-N 2 2 358.873 3.496 10 0 FGAELP Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1C ZINC000246214366 497664312 /nfs/dbraw/zinc/66/43/12/497664312.db2.gz ZWQYVONLJOKUKE-MSOLQXFVSA-N 2 2 352.482 3.459 10 0 FGAELP Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1C ZINC000246214366 497664314 /nfs/dbraw/zinc/66/43/14/497664314.db2.gz ZWQYVONLJOKUKE-MSOLQXFVSA-N 2 2 352.482 3.459 10 0 FGAELP COc1c(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)c(C)nn1C ZINC000389130638 499552187 /nfs/dbraw/zinc/55/21/87/499552187.db2.gz POVQHKANIPOOBT-IBGZPJMESA-N 2 2 356.514 3.129 10 0 FGAELP COc1c(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c(C)nn1C ZINC000389130638 499552188 /nfs/dbraw/zinc/55/21/88/499552188.db2.gz POVQHKANIPOOBT-IBGZPJMESA-N 2 2 356.514 3.129 10 0 FGAELP CC(C)c1cnc(C[N@@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C)c3)C2)s1 ZINC000886052880 739212403 /nfs/dbraw/zinc/21/24/03/739212403.db2.gz HCIBQVZGMOOBBL-KRWDZBQOSA-N 2 2 360.527 3.376 10 0 FGAELP CC(C)c1cnc(C[N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C)c3)C2)s1 ZINC000886052880 739212409 /nfs/dbraw/zinc/21/24/09/739212409.db2.gz HCIBQVZGMOOBBL-KRWDZBQOSA-N 2 2 360.527 3.376 10 0 FGAELP CNc1[nH+]cnc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1N ZINC000040706837 136119835 /nfs/dbraw/zinc/11/98/35/136119835.db2.gz UYXQRACKWBYCPZ-UHFFFAOYSA-N 2 2 374.492 3.012 10 0 FGAELP C[C@H](CNC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1)[NH+]1CCC(C)CC1 ZINC000073897952 494444306 /nfs/dbraw/zinc/44/43/06/494444306.db2.gz RLQXHCNXUDOVJU-QZTJIDSGSA-N 2 2 369.513 3.353 10 0 FGAELP CC(C)[C@H](CNC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1)[NH+]1CCCC1 ZINC000074102494 494481248 /nfs/dbraw/zinc/48/12/48/494481248.db2.gz NLBUIIKPFOXELD-PXNSSMCTSA-N 2 2 369.513 3.353 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)c2cc(C)n(CCOC)c2C)C1 ZINC000131503166 494642230 /nfs/dbraw/zinc/64/22/30/494642230.db2.gz PORSQKQOAIYLIW-GOSISDBHSA-N 2 2 372.513 3.030 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)c2cc(C)n(CCOC)c2C)C1 ZINC000131503166 494642240 /nfs/dbraw/zinc/64/22/40/494642240.db2.gz PORSQKQOAIYLIW-GOSISDBHSA-N 2 2 372.513 3.030 10 0 FGAELP Oc1ccc(Br)c(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000092812807 494759032 /nfs/dbraw/zinc/75/90/32/494759032.db2.gz SEIAQOHUCKZODQ-ZDUSSCGKSA-N 2 2 362.271 3.484 10 0 FGAELP Oc1ccc(Br)c(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000092812807 494759038 /nfs/dbraw/zinc/75/90/38/494759038.db2.gz SEIAQOHUCKZODQ-ZDUSSCGKSA-N 2 2 362.271 3.484 10 0 FGAELP COCCCOc1cccc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000092812968 494759221 /nfs/dbraw/zinc/75/92/21/494759221.db2.gz DMHCAYSRTQLHJZ-IBGZPJMESA-N 2 2 355.482 3.431 10 0 FGAELP COCCCOc1cccc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000092812968 494759228 /nfs/dbraw/zinc/75/92/28/494759228.db2.gz DMHCAYSRTQLHJZ-IBGZPJMESA-N 2 2 355.482 3.431 10 0 FGAELP COCCCOc1cccc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000092812967 494759728 /nfs/dbraw/zinc/75/97/28/494759728.db2.gz DMHCAYSRTQLHJZ-LJQANCHMSA-N 2 2 355.482 3.431 10 0 FGAELP COCCCOc1cccc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000092812967 494759734 /nfs/dbraw/zinc/75/97/34/494759734.db2.gz DMHCAYSRTQLHJZ-LJQANCHMSA-N 2 2 355.482 3.431 10 0 FGAELP Cc1[nH+]c2ccccc2n1CCCNC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000127121050 494896275 /nfs/dbraw/zinc/89/62/75/494896275.db2.gz MRLSOLPRMUNODX-QGZVFWFLSA-N 2 2 359.518 3.010 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccc(OC)c(OC)c2OC)C1 ZINC000122864591 495042949 /nfs/dbraw/zinc/04/29/49/495042949.db2.gz RGKVIGJUEYDCHD-INIZCTEOSA-N 2 2 359.470 3.308 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccc(OC)c(OC)c2OC)C1 ZINC000122864591 495042953 /nfs/dbraw/zinc/04/29/53/495042953.db2.gz RGKVIGJUEYDCHD-INIZCTEOSA-N 2 2 359.470 3.308 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H]2CCN(c3ccccc3F)C2=O)C1 ZINC000112345732 495177863 /nfs/dbraw/zinc/17/78/63/495177863.db2.gz LDRAHQJBIWCAJU-MAUKXSAKSA-N 2 2 356.445 3.027 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H]2CCN(c3ccccc3F)C2=O)C1 ZINC000112345732 495177868 /nfs/dbraw/zinc/17/78/68/495177868.db2.gz LDRAHQJBIWCAJU-MAUKXSAKSA-N 2 2 356.445 3.027 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)N2CCSc3ccccc32)C1 ZINC000106215993 495434090 /nfs/dbraw/zinc/43/40/90/495434090.db2.gz PJILKZQQZQUKMF-INIZCTEOSA-N 2 2 370.522 3.221 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)N2CCSc3ccccc32)C1 ZINC000106215993 495434091 /nfs/dbraw/zinc/43/40/91/495434091.db2.gz PJILKZQQZQUKMF-INIZCTEOSA-N 2 2 370.522 3.221 10 0 FGAELP Cc1ccc(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1Oc1cc[nH+]cc1 ZINC000115045703 495456877 /nfs/dbraw/zinc/45/68/77/495456877.db2.gz BOTWABVERGVEER-SFHVURJKSA-N 2 2 351.450 3.493 10 0 FGAELP Cc1ccc(C(=O)N2CC[N@H+]3CCCC[C@H]3C2)cc1Oc1cc[nH+]cc1 ZINC000115045703 495456879 /nfs/dbraw/zinc/45/68/79/495456879.db2.gz BOTWABVERGVEER-SFHVURJKSA-N 2 2 351.450 3.493 10 0 FGAELP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(F)c(Br)c1 ZINC000151258606 495786707 /nfs/dbraw/zinc/78/67/07/495786707.db2.gz YTPVLWLMZXKFBP-JSGCOSHPSA-N 2 2 359.283 3.086 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)Nc3cccc(Cl)c3)C2)[nH+]1 ZINC000171653100 495973006 /nfs/dbraw/zinc/97/30/06/495973006.db2.gz ISPHLLCUDZPOLA-HNNXBMFYSA-N 2 2 358.873 3.416 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)Nc3cccc(Cl)c3)C2)[nH+]1 ZINC000171653100 495973010 /nfs/dbraw/zinc/97/30/10/495973010.db2.gz ISPHLLCUDZPOLA-HNNXBMFYSA-N 2 2 358.873 3.416 10 0 FGAELP CC(C)c1nnc2n1C[C@@H]([NH2+][C@@H](C)c1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000180510241 496025973 /nfs/dbraw/zinc/02/59/73/496025973.db2.gz ICBKVWBTIVEMFB-RDJZCZTQSA-N 2 2 350.470 3.253 10 0 FGAELP CNc1cc(N2CCC[C@@H]2C[NH2+]CC2CCC(C(F)(F)F)CC2)nc[nH+]1 ZINC000183702601 496086706 /nfs/dbraw/zinc/08/67/06/496086706.db2.gz AIVOHQFJJYHVDR-YMAMQOFZSA-N 2 2 371.451 3.445 10 0 FGAELP C[C@H]([NH2+]C[C@H](O)COCc1cccs1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180655895 496090428 /nfs/dbraw/zinc/09/04/28/496090428.db2.gz FTYRBVHPQVVYTL-YJBOKZPZSA-N 2 2 357.479 3.162 10 0 FGAELP C[C@H]([NH2+]CC(=O)N(C)Cc1ccccc1F)c1cccc(-n2cc[nH+]c2)c1 ZINC000180668230 496096474 /nfs/dbraw/zinc/09/64/74/496096474.db2.gz AGVCFWCUIMMVRU-INIZCTEOSA-N 2 2 366.440 3.321 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(OC)c2)C1 ZINC000174785665 496106636 /nfs/dbraw/zinc/10/66/36/496106636.db2.gz DQTCJIRHZNLNJS-QGZVFWFLSA-N 2 2 356.470 3.120 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc(OC)c2)C1 ZINC000174785665 496106644 /nfs/dbraw/zinc/10/66/44/496106644.db2.gz DQTCJIRHZNLNJS-QGZVFWFLSA-N 2 2 356.470 3.120 10 0 FGAELP CC(C)CCn1cccc1C[NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000161628233 496209758 /nfs/dbraw/zinc/20/97/58/496209758.db2.gz QPMAFPZWODZLTF-QFIPXVFZSA-N 2 2 355.526 3.043 10 0 FGAELP CC(C)CCn1cccc1C[NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000161628233 496209761 /nfs/dbraw/zinc/20/97/61/496209761.db2.gz QPMAFPZWODZLTF-QFIPXVFZSA-N 2 2 355.526 3.043 10 0 FGAELP C[C@@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc2ccccc2n1 ZINC000177918468 496251964 /nfs/dbraw/zinc/25/19/64/496251964.db2.gz QNTYGBJAEQCANU-UTKZUKDTSA-N 2 2 361.489 3.305 10 0 FGAELP C[C@@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc2ccccc2n1 ZINC000177918468 496251967 /nfs/dbraw/zinc/25/19/67/496251967.db2.gz QNTYGBJAEQCANU-UTKZUKDTSA-N 2 2 361.489 3.305 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1cccc2c1N=S=N2 ZINC000178748675 496558580 /nfs/dbraw/zinc/55/85/80/496558580.db2.gz OYSKVLAZMLIMJE-ZDUSSCGKSA-N 2 2 356.455 3.021 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)Nc1cccc2c1N=S=N2 ZINC000178748675 496558585 /nfs/dbraw/zinc/55/85/85/496558585.db2.gz OYSKVLAZMLIMJE-ZDUSSCGKSA-N 2 2 356.455 3.021 10 0 FGAELP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)CCCS2 ZINC000187820716 496584036 /nfs/dbraw/zinc/58/40/36/496584036.db2.gz XECXMWWWKXJSFU-QAPCUYQASA-N 2 2 350.528 3.059 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2)C1 ZINC000195266392 496869333 /nfs/dbraw/zinc/86/93/33/496869333.db2.gz VVWCZNPKHFACHV-IRXDYDNUSA-N 2 2 372.538 3.232 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2)C1 ZINC000195266392 496869339 /nfs/dbraw/zinc/86/93/39/496869339.db2.gz VVWCZNPKHFACHV-IRXDYDNUSA-N 2 2 372.538 3.232 10 0 FGAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2)C1 ZINC000195266392 496869344 /nfs/dbraw/zinc/86/93/44/496869344.db2.gz VVWCZNPKHFACHV-IRXDYDNUSA-N 2 2 372.538 3.232 10 0 FGAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2)C1 ZINC000195266392 496869349 /nfs/dbraw/zinc/86/93/49/496869349.db2.gz VVWCZNPKHFACHV-IRXDYDNUSA-N 2 2 372.538 3.232 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccnc2Cl)C1 ZINC000247567204 496890049 /nfs/dbraw/zinc/89/00/49/496890049.db2.gz GRSMLRMVGLHGFN-ZIAGYGMSSA-N 2 2 361.877 3.158 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccnc2Cl)C1 ZINC000247567204 496890052 /nfs/dbraw/zinc/89/00/52/496890052.db2.gz GRSMLRMVGLHGFN-ZIAGYGMSSA-N 2 2 361.877 3.158 10 0 FGAELP Fc1ccc(-c2nc(C[N@@H+]3CC[C@H](CNc4cccc[nH+]4)C3)no2)c(F)c1 ZINC000189040563 496987699 /nfs/dbraw/zinc/98/76/99/496987699.db2.gz BVSRGOYGZYNSIM-CYBMUJFWSA-N 2 2 371.391 3.344 10 0 FGAELP Fc1ccc(-c2nc(C[N@H+]3CC[C@H](CNc4cccc[nH+]4)C3)no2)c(F)c1 ZINC000189040563 496987701 /nfs/dbraw/zinc/98/77/01/496987701.db2.gz BVSRGOYGZYNSIM-CYBMUJFWSA-N 2 2 371.391 3.344 10 0 FGAELP CCCn1cc[nH+]c1CCCN(C)c1cc(N2CCC[C@H](C)C2)nc[nH+]1 ZINC000192234934 497042910 /nfs/dbraw/zinc/04/29/10/497042910.db2.gz AEXUJBOULWKZOX-KRWDZBQOSA-N 2 2 356.518 3.388 10 0 FGAELP CCCn1cc[nH+]c1CCCN(C)c1cc(N2CCC[C@H](C)C2)[nH+]cn1 ZINC000192234934 497042915 /nfs/dbraw/zinc/04/29/15/497042915.db2.gz AEXUJBOULWKZOX-KRWDZBQOSA-N 2 2 356.518 3.388 10 0 FGAELP CC[N@H+](CC(=O)OC(C)(C)C)C1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC000192241284 497045677 /nfs/dbraw/zinc/04/56/77/497045677.db2.gz YVZDWLSGBNKWHX-UHFFFAOYSA-N 2 2 362.518 3.034 10 0 FGAELP CC[N@@H+](CC(=O)OC(C)(C)C)C1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC000192241284 497045680 /nfs/dbraw/zinc/04/56/80/497045680.db2.gz YVZDWLSGBNKWHX-UHFFFAOYSA-N 2 2 362.518 3.034 10 0 FGAELP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)C12CCOCC2 ZINC000248975806 497142887 /nfs/dbraw/zinc/14/28/87/497142887.db2.gz HPCNDENBYXEDJJ-BVOGOJNSSA-N 2 2 358.526 3.386 10 0 FGAELP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)C12CCOCC2 ZINC000248975806 497142892 /nfs/dbraw/zinc/14/28/92/497142892.db2.gz HPCNDENBYXEDJJ-BVOGOJNSSA-N 2 2 358.526 3.386 10 0 FGAELP CSc1ccc(NC(=O)C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1 ZINC000261871953 497466211 /nfs/dbraw/zinc/46/62/11/497466211.db2.gz XNWIZVBOMGKLJR-APWZRJJASA-N 2 2 355.507 3.021 10 0 FGAELP CSc1ccc(NC(=O)C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1 ZINC000261871953 497466215 /nfs/dbraw/zinc/46/62/15/497466215.db2.gz XNWIZVBOMGKLJR-APWZRJJASA-N 2 2 355.507 3.021 10 0 FGAELP Clc1ccc2sc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)nc2c1 ZINC000261936080 497478712 /nfs/dbraw/zinc/47/87/12/497478712.db2.gz MFWUDPSONFRWMT-GZBFAFLISA-N 2 2 351.903 3.196 10 0 FGAELP Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245770188 497534285 /nfs/dbraw/zinc/53/42/85/497534285.db2.gz XDIYNXXRFYOFFO-HAGHYFMRSA-N 2 2 351.498 3.207 10 0 FGAELP Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245770188 497534289 /nfs/dbraw/zinc/53/42/89/497534289.db2.gz XDIYNXXRFYOFFO-HAGHYFMRSA-N 2 2 351.498 3.207 10 0 FGAELP C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246071128 497611071 /nfs/dbraw/zinc/61/10/71/497611071.db2.gz BVUNCVKKXRAHME-WMZOPIPTSA-N 2 2 370.472 3.002 10 0 FGAELP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Br)c(Br)c2)C1 ZINC000389537939 499552788 /nfs/dbraw/zinc/55/27/88/499552788.db2.gz JQOGHZFYJMUZCO-LLVKDONJSA-N 2 2 362.109 3.395 10 0 FGAELP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Br)c(Br)c2)C1 ZINC000389537939 499552790 /nfs/dbraw/zinc/55/27/90/499552790.db2.gz JQOGHZFYJMUZCO-LLVKDONJSA-N 2 2 362.109 3.395 10 0 FGAELP COc1ccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc1Br ZINC000188412560 712769000 /nfs/dbraw/zinc/76/90/00/712769000.db2.gz XJGDLVPSQPCOHQ-AWEZNQCLSA-N 2 2 350.260 3.319 10 0 FGAELP COc1ccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc1Br ZINC000188412560 712769003 /nfs/dbraw/zinc/76/90/03/712769003.db2.gz XJGDLVPSQPCOHQ-AWEZNQCLSA-N 2 2 350.260 3.319 10 0 FGAELP C[NH+](C)CCn1cc[nH+]c1C1CCN(c2cc(C(F)(F)F)ccn2)CC1 ZINC000095510149 132213320 /nfs/dbraw/zinc/21/33/20/132213320.db2.gz WCXYMXVZGFDWMJ-UHFFFAOYSA-N 2 2 367.419 3.243 10 0 FGAELP CCc1ccc([C@H]2CCCC[N@@H+]2Cc2cnc(N3CC[NH+](C)CC3)nc2)o1 ZINC000093459128 494893573 /nfs/dbraw/zinc/89/35/73/494893573.db2.gz QRHZOBSXFWYJOZ-LJQANCHMSA-N 2 2 369.513 3.111 10 0 FGAELP CCc1ccc([C@H]2CCCC[N@H+]2Cc2cnc(N3CC[NH+](C)CC3)nc2)o1 ZINC000093459128 494893576 /nfs/dbraw/zinc/89/35/76/494893576.db2.gz QRHZOBSXFWYJOZ-LJQANCHMSA-N 2 2 369.513 3.111 10 0 FGAELP CC[N@@H+]1CCC[C@@H]1CN(C)Cc1c[nH+]c2ccc(Br)cn12 ZINC000123372945 495122194 /nfs/dbraw/zinc/12/21/94/495122194.db2.gz WAICRXSPLCEPMT-CQSZACIVSA-N 2 2 351.292 3.013 10 0 FGAELP CC[N@H+]1CCC[C@@H]1CN(C)Cc1c[nH+]c2ccc(Br)cn12 ZINC000123372945 495122195 /nfs/dbraw/zinc/12/21/95/495122195.db2.gz WAICRXSPLCEPMT-CQSZACIVSA-N 2 2 351.292 3.013 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2csc(N(C(C)=O)C3CC3)n2)C1 ZINC000114720556 495415135 /nfs/dbraw/zinc/41/51/35/495415135.db2.gz DCHZXBVHXVWPSG-QGZVFWFLSA-N 2 2 373.526 3.254 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2csc(N(C(C)=O)C3CC3)n2)C1 ZINC000114720556 495415140 /nfs/dbraw/zinc/41/51/40/495415140.db2.gz DCHZXBVHXVWPSG-QGZVFWFLSA-N 2 2 373.526 3.254 10 0 FGAELP C[N@H+](Cc1cccc(OC(F)F)c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000106128695 495418037 /nfs/dbraw/zinc/41/80/37/495418037.db2.gz ZFAXCSIAHBHPRT-UHFFFAOYSA-N 2 2 364.440 3.081 10 0 FGAELP C[N@@H+](Cc1cccc(OC(F)F)c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000106128695 495418041 /nfs/dbraw/zinc/41/80/41/495418041.db2.gz ZFAXCSIAHBHPRT-UHFFFAOYSA-N 2 2 364.440 3.081 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)N(Cc2ccc(C)o2)C2CC2)C1 ZINC000106212963 495433650 /nfs/dbraw/zinc/43/36/50/495433650.db2.gz SHHOVKLMCDKPSB-SFHVURJKSA-N 2 2 370.497 3.175 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)N(Cc2ccc(C)o2)C2CC2)C1 ZINC000106212963 495433656 /nfs/dbraw/zinc/43/36/56/495433656.db2.gz SHHOVKLMCDKPSB-SFHVURJKSA-N 2 2 370.497 3.175 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)Nc2ccnn2C2CCCC2)C1 ZINC000106215662 495434172 /nfs/dbraw/zinc/43/41/72/495434172.db2.gz LQNRCVTZQAPFLV-QGZVFWFLSA-N 2 2 370.501 3.033 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)Nc2ccnn2C2CCCC2)C1 ZINC000106215662 495434174 /nfs/dbraw/zinc/43/41/74/495434174.db2.gz LQNRCVTZQAPFLV-QGZVFWFLSA-N 2 2 370.501 3.033 10 0 FGAELP C[C@H](c1ccc(Cl)cc1)[N@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000130833123 495452634 /nfs/dbraw/zinc/45/26/34/495452634.db2.gz SERHBASQTNTQLF-OAHLLOKOSA-N 2 2 359.905 3.075 10 0 FGAELP C[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000130833123 495452639 /nfs/dbraw/zinc/45/26/39/495452639.db2.gz SERHBASQTNTQLF-OAHLLOKOSA-N 2 2 359.905 3.075 10 0 FGAELP CCN(C(=O)[C@@H](C)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)C1CCCCC1 ZINC000151098288 495736716 /nfs/dbraw/zinc/73/67/16/495736716.db2.gz SZRXYNVIJRTCRC-QZTJIDSGSA-N 2 2 358.530 3.385 10 0 FGAELP CCN(C(=O)[C@@H](C)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)C1CCCCC1 ZINC000151098288 495736721 /nfs/dbraw/zinc/73/67/21/495736721.db2.gz SZRXYNVIJRTCRC-QZTJIDSGSA-N 2 2 358.530 3.385 10 0 FGAELP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000151304690 495799557 /nfs/dbraw/zinc/79/95/57/495799557.db2.gz JXPQQGLDFQMCIV-PBHICJAKSA-N 2 2 360.527 3.011 10 0 FGAELP Cc1cccc(NC[C@@H]2CCN(c3cc(C)[nH+]c(-c4ccncc4)n3)C2)[nH+]1 ZINC000171365275 495839618 /nfs/dbraw/zinc/83/96/18/495839618.db2.gz HCAPOEXFYUSXON-KRWDZBQOSA-N 2 2 360.465 3.489 10 0 FGAELP CCOc1c(OC)cc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1OC ZINC000180131694 495871862 /nfs/dbraw/zinc/87/18/62/495871862.db2.gz KXCFTMUISTUASW-KRWDZBQOSA-N 2 2 359.470 3.272 10 0 FGAELP CCOc1c(OC)cc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1OC ZINC000180131694 495871865 /nfs/dbraw/zinc/87/18/65/495871865.db2.gz KXCFTMUISTUASW-KRWDZBQOSA-N 2 2 359.470 3.272 10 0 FGAELP C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000151714076 495925726 /nfs/dbraw/zinc/92/57/26/495925726.db2.gz SQAXYZZUDNUELO-JKSUJKDBSA-N 2 2 359.437 3.260 10 0 FGAELP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000151775593 495942828 /nfs/dbraw/zinc/94/28/28/495942828.db2.gz RQFZCMJNUSUZHC-RBBKRZOGSA-N 2 2 366.505 3.218 10 0 FGAELP C[C@@H](NC(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)c1ccc(Cl)cc1 ZINC000171645819 495964947 /nfs/dbraw/zinc/96/49/47/495964947.db2.gz CUSCFOYDIUKCAV-HZPDHXFCSA-N 2 2 372.900 3.346 10 0 FGAELP C[C@@H](NC(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)c1ccc(Cl)cc1 ZINC000171645819 495964952 /nfs/dbraw/zinc/96/49/52/495964952.db2.gz CUSCFOYDIUKCAV-HZPDHXFCSA-N 2 2 372.900 3.346 10 0 FGAELP COc1ccc2c(C[N@@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)cc(=O)oc2c1 ZINC000171646774 495965836 /nfs/dbraw/zinc/96/58/36/495965836.db2.gz VXYMSWXNGQXXSP-HNNXBMFYSA-N 2 2 365.433 3.131 10 0 FGAELP COc1ccc2c(C[N@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)cc(=O)oc2c1 ZINC000171646774 495965840 /nfs/dbraw/zinc/96/58/40/495965840.db2.gz VXYMSWXNGQXXSP-HNNXBMFYSA-N 2 2 365.433 3.131 10 0 FGAELP C[C@H](C(=O)N1CCCc2ccccc21)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171646317 495966179 /nfs/dbraw/zinc/96/61/79/495966179.db2.gz GTAFQWJKJRWWIF-QZTJIDSGSA-N 2 2 364.493 3.183 10 0 FGAELP C[C@H](C(=O)N1CCCc2ccccc21)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171646317 495966183 /nfs/dbraw/zinc/96/61/83/495966183.db2.gz GTAFQWJKJRWWIF-QZTJIDSGSA-N 2 2 364.493 3.183 10 0 FGAELP O=C(C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)Nc1ccc(F)c(Cl)c1 ZINC000171648271 495967143 /nfs/dbraw/zinc/96/71/43/495967143.db2.gz BKZATMWKYYBUFY-CYBMUJFWSA-N 2 2 362.836 3.247 10 0 FGAELP O=C(C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)Nc1ccc(F)c(Cl)c1 ZINC000171648271 495967145 /nfs/dbraw/zinc/96/71/45/495967145.db2.gz BKZATMWKYYBUFY-CYBMUJFWSA-N 2 2 362.836 3.247 10 0 FGAELP Cc1nc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)sc1C ZINC000171649528 495969047 /nfs/dbraw/zinc/96/90/47/495969047.db2.gz MYUQURXBMNPBCM-HOCLYGCPSA-N 2 2 373.526 3.224 10 0 FGAELP Cc1nc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)sc1C ZINC000171649528 495969053 /nfs/dbraw/zinc/96/90/53/495969053.db2.gz MYUQURXBMNPBCM-HOCLYGCPSA-N 2 2 373.526 3.224 10 0 FGAELP O=C(Nc1ccc2[nH]c(Cc3ccccc3F)[nH+]c2c1)[C@H]1CCC[NH2+]C1 ZINC000165611780 496664291 /nfs/dbraw/zinc/66/42/91/496664291.db2.gz RMFMCOGQMBTXDY-AWEZNQCLSA-N 2 2 352.413 3.231 10 0 FGAELP Cc1nc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3scnc3C)C2)sc1C ZINC000195255271 496863172 /nfs/dbraw/zinc/86/31/72/496863172.db2.gz XKVNMOGEZNXPEL-HNNXBMFYSA-N 2 2 350.557 3.479 10 0 FGAELP Cc1nc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3scnc3C)C2)sc1C ZINC000195255271 496863177 /nfs/dbraw/zinc/86/31/77/496863177.db2.gz XKVNMOGEZNXPEL-HNNXBMFYSA-N 2 2 350.557 3.479 10 0 FGAELP Cc1nc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3scnc3C)C2)sc1C ZINC000195255271 496863182 /nfs/dbraw/zinc/86/31/82/496863182.db2.gz XKVNMOGEZNXPEL-HNNXBMFYSA-N 2 2 350.557 3.479 10 0 FGAELP Cc1nc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3scnc3C)C2)sc1C ZINC000195255271 496863185 /nfs/dbraw/zinc/86/31/85/496863185.db2.gz XKVNMOGEZNXPEL-HNNXBMFYSA-N 2 2 350.557 3.479 10 0 FGAELP CCOC(=O)[C@H](CC(C)C)[N@@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195257353 496864539 /nfs/dbraw/zinc/86/45/39/496864539.db2.gz AAXORZMEWMTAEJ-SJORKVTESA-N 2 2 367.559 3.183 10 0 FGAELP CCOC(=O)[C@H](CC(C)C)[N@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195257353 496864542 /nfs/dbraw/zinc/86/45/42/496864542.db2.gz AAXORZMEWMTAEJ-SJORKVTESA-N 2 2 367.559 3.183 10 0 FGAELP CCOC(=O)[C@H](CC(C)C)[NH+]1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195257353 496864550 /nfs/dbraw/zinc/86/45/50/496864550.db2.gz AAXORZMEWMTAEJ-SJORKVTESA-N 2 2 367.559 3.183 10 0 FGAELP CCOC(=O)[C@H](CC(C)C)[NH+]1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000195257353 496864555 /nfs/dbraw/zinc/86/45/55/496864555.db2.gz AAXORZMEWMTAEJ-SJORKVTESA-N 2 2 367.559 3.183 10 0 FGAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](CCOc2cccc(F)c2)C1 ZINC000195261889 496866295 /nfs/dbraw/zinc/86/62/95/496866295.db2.gz DEQLVGDCASAGLF-INIZCTEOSA-N 2 2 363.502 3.423 10 0 FGAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](CCOc2cccc(F)c2)C1 ZINC000195261889 496866302 /nfs/dbraw/zinc/86/63/02/496866302.db2.gz DEQLVGDCASAGLF-INIZCTEOSA-N 2 2 363.502 3.423 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](CCOc2cccc(F)c2)C1 ZINC000195261889 496866306 /nfs/dbraw/zinc/86/63/06/496866306.db2.gz DEQLVGDCASAGLF-INIZCTEOSA-N 2 2 363.502 3.423 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](CCOc2cccc(F)c2)C1 ZINC000195261889 496866311 /nfs/dbraw/zinc/86/63/11/496866311.db2.gz DEQLVGDCASAGLF-INIZCTEOSA-N 2 2 363.502 3.423 10 0 FGAELP COC(=O)c1oc([C@@H](C)[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)cc1C ZINC000195274406 496871306 /nfs/dbraw/zinc/87/13/06/496871306.db2.gz KRNVVRLTLKDBIN-SJLPKXTDSA-N 2 2 371.481 3.285 10 0 FGAELP COC(=O)c1oc([C@@H](C)[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)cc1C ZINC000195274406 496871311 /nfs/dbraw/zinc/87/13/11/496871311.db2.gz KRNVVRLTLKDBIN-SJLPKXTDSA-N 2 2 371.481 3.285 10 0 FGAELP COC(=O)c1oc([C@@H](C)[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)cc1C ZINC000195274406 496871315 /nfs/dbraw/zinc/87/13/15/496871315.db2.gz KRNVVRLTLKDBIN-SJLPKXTDSA-N 2 2 371.481 3.285 10 0 FGAELP COC(=O)c1oc([C@@H](C)[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)cc1C ZINC000195274406 496871324 /nfs/dbraw/zinc/87/13/24/496871324.db2.gz KRNVVRLTLKDBIN-SJLPKXTDSA-N 2 2 371.481 3.285 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@@H](O)COc2c(C)ccc(C)c2C)C1 ZINC000247575226 496892500 /nfs/dbraw/zinc/89/25/00/496892500.db2.gz HSKTVBJPWHBAHN-WOJBJXKFSA-N 2 2 371.525 3.448 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCOCC(F)(F)C(F)(F)F)C1 ZINC000189218070 497049534 /nfs/dbraw/zinc/04/95/34/497049534.db2.gz YAMZTVFDZKFYGW-LBPRGKRZSA-N 2 2 355.351 3.297 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCOCC(F)(F)C(F)(F)F)C1 ZINC000189218070 497049536 /nfs/dbraw/zinc/04/95/36/497049536.db2.gz YAMZTVFDZKFYGW-LBPRGKRZSA-N 2 2 355.351 3.297 10 0 FGAELP COc1ccccc1NC(=O)C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189885478 497281080 /nfs/dbraw/zinc/28/10/80/497281080.db2.gz XLTOMUZTRCPHAG-HNNXBMFYSA-N 2 2 350.422 3.170 10 0 FGAELP C[C@H]([NH2+]CC(=O)NCc1cc(F)cc(F)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189890172 497282133 /nfs/dbraw/zinc/28/21/33/497282133.db2.gz FQUKSKOIFNUIQX-AWEZNQCLSA-N 2 2 370.403 3.118 10 0 FGAELP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000245421713 497397267 /nfs/dbraw/zinc/39/72/67/497397267.db2.gz ODFHBAFHQUHQMD-APWZRJJASA-N 2 2 355.486 3.059 10 0 FGAELP CC[N@H+]1CCC[C@H]1CN(C)C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000245421713 497397269 /nfs/dbraw/zinc/39/72/69/497397269.db2.gz ODFHBAFHQUHQMD-APWZRJJASA-N 2 2 355.486 3.059 10 0 FGAELP [NH3+]C[C@@H]1C[N@H+](CC(=O)Nc2ccc(F)c(Cl)c2)C[C@H]1c1ccccc1 ZINC000261676110 497430892 /nfs/dbraw/zinc/43/08/92/497430892.db2.gz IBLKXSCJOBOMIL-ZBFHGGJFSA-N 2 2 361.848 3.092 10 0 FGAELP [NH3+]C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(F)c(Cl)c2)C[C@H]1c1ccccc1 ZINC000261676110 497430901 /nfs/dbraw/zinc/43/09/01/497430901.db2.gz IBLKXSCJOBOMIL-ZBFHGGJFSA-N 2 2 361.848 3.092 10 0 FGAELP CCOc1ccccc1NC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261858772 497464164 /nfs/dbraw/zinc/46/41/64/497464164.db2.gz WGHHVMZFPCRQNR-UHOSZYNNSA-N 2 2 367.493 3.087 10 0 FGAELP CCOc1ccccc1NC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261858772 497464169 /nfs/dbraw/zinc/46/41/69/497464169.db2.gz WGHHVMZFPCRQNR-UHOSZYNNSA-N 2 2 367.493 3.087 10 0 FGAELP Clc1ccc2sc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)nc2c1 ZINC000261936083 497478574 /nfs/dbraw/zinc/47/85/74/497478574.db2.gz MFWUDPSONFRWMT-NFAWXSAZSA-N 2 2 351.903 3.196 10 0 FGAELP COCCOc1ccccc1C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000190471309 497493186 /nfs/dbraw/zinc/49/31/86/497493186.db2.gz RUEKBSBNQPBIGH-FQEVSTJZSA-N 2 2 369.509 3.061 10 0 FGAELP COCCOc1ccccc1C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000190471309 497493191 /nfs/dbraw/zinc/49/31/91/497493191.db2.gz RUEKBSBNQPBIGH-FQEVSTJZSA-N 2 2 369.509 3.061 10 0 FGAELP COCCOc1ccccc1C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190471309 497493198 /nfs/dbraw/zinc/49/31/98/497493198.db2.gz RUEKBSBNQPBIGH-FQEVSTJZSA-N 2 2 369.509 3.061 10 0 FGAELP CCCn1nc(C)c(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)c1C ZINC000190476514 497495596 /nfs/dbraw/zinc/49/55/96/497495596.db2.gz PNNISOKUFDPKPN-HXUWFJFHSA-N 2 2 355.530 3.259 10 0 FGAELP CCCn1nc(C)c(C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)c1C ZINC000190476514 497495603 /nfs/dbraw/zinc/49/56/03/497495603.db2.gz PNNISOKUFDPKPN-HXUWFJFHSA-N 2 2 355.530 3.259 10 0 FGAELP CCCn1nc(C)c(C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)c1C ZINC000190476514 497495608 /nfs/dbraw/zinc/49/56/08/497495608.db2.gz PNNISOKUFDPKPN-HXUWFJFHSA-N 2 2 355.530 3.259 10 0 FGAELP CCCn1nc(C)c(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)c1C ZINC000190476514 497495613 /nfs/dbraw/zinc/49/56/13/497495613.db2.gz PNNISOKUFDPKPN-HXUWFJFHSA-N 2 2 355.530 3.259 10 0 FGAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CC[C@@H](Nc4ccccc4)C3)c2cc1C ZINC000246033103 497601070 /nfs/dbraw/zinc/60/10/70/497601070.db2.gz UJHOCWRQMFTEMX-WOJBJXKFSA-N 2 2 364.493 3.200 10 0 FGAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CC[C@@H](Nc4ccccc4)C3)c2cc1C ZINC000246033103 497601078 /nfs/dbraw/zinc/60/10/78/497601078.db2.gz UJHOCWRQMFTEMX-WOJBJXKFSA-N 2 2 364.493 3.200 10 0 FGAELP C[C@H](C(=O)N1CCCc2ccccc21)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246093142 497619631 /nfs/dbraw/zinc/61/96/31/497619631.db2.gz GTAFQWJKJRWWIF-MSOLQXFVSA-N 2 2 364.493 3.183 10 0 FGAELP C[C@H](C(=O)N1CCCc2ccccc21)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246093142 497619636 /nfs/dbraw/zinc/61/96/36/497619636.db2.gz GTAFQWJKJRWWIF-MSOLQXFVSA-N 2 2 364.493 3.183 10 0 FGAELP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2ccc(OCC3CC3)cc2)nc[nH+]1 ZINC000190971452 497665748 /nfs/dbraw/zinc/66/57/48/497665748.db2.gz QVZMOUWVNCYCHD-SFHVURJKSA-N 2 2 367.497 3.066 10 0 FGAELP O[C@@H]1C[C@@H](c2cc(F)ccc2F)[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000246909421 497819855 /nfs/dbraw/zinc/81/98/55/497819855.db2.gz XXOWMXVAEHFHIO-XLIONFOSSA-N 2 2 355.388 3.458 10 0 FGAELP O[C@@H]1C[C@@H](c2cc(F)ccc2F)[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000246909421 497819856 /nfs/dbraw/zinc/81/98/56/497819856.db2.gz XXOWMXVAEHFHIO-XLIONFOSSA-N 2 2 355.388 3.458 10 0 FGAELP CC(C)[C@H](C)NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000157435695 705154417 /nfs/dbraw/zinc/15/44/17/705154417.db2.gz WAGGPGSOAUSYRM-WDSOQIARSA-N 2 2 352.567 3.010 10 0 FGAELP CC(C)[C@H](C)NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000157435695 705154418 /nfs/dbraw/zinc/15/44/18/705154418.db2.gz WAGGPGSOAUSYRM-WDSOQIARSA-N 2 2 352.567 3.010 10 0 FGAELP COCC[NH+]1CCC(c2c(-c3ccccc3)[nH+]cn2CC[C@@H](C)CO)CC1 ZINC000065461424 205352105 /nfs/dbraw/zinc/35/21/05/205352105.db2.gz CWWVQJLTAWAVPN-GOSISDBHSA-N 2 2 371.525 3.394 10 0 FGAELP c1ccc(N2CCC(C[NH+]3CCCCC3)CC2)c(C[NH+]2CCOCC2)c1 ZINC000034136343 132377953 /nfs/dbraw/zinc/37/79/53/132377953.db2.gz YDNBOQKWNWPBCE-UHFFFAOYSA-N 2 2 357.542 3.221 10 0 FGAELP CC(C)CCn1cccc1C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000121241886 494663228 /nfs/dbraw/zinc/66/32/28/494663228.db2.gz YGVOWDXPCUDLMV-UHFFFAOYSA-N 2 2 357.546 3.327 10 0 FGAELP CC(C)CCn1cccc1C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000121241886 494663235 /nfs/dbraw/zinc/66/32/35/494663235.db2.gz YGVOWDXPCUDLMV-UHFFFAOYSA-N 2 2 357.546 3.327 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC000109284827 494854476 /nfs/dbraw/zinc/85/44/76/494854476.db2.gz LIWRXQDKKIVXRH-UYAOXDASSA-N 2 2 354.498 3.302 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC000109284827 494854482 /nfs/dbraw/zinc/85/44/82/494854482.db2.gz LIWRXQDKKIVXRH-UYAOXDASSA-N 2 2 354.498 3.302 10 0 FGAELP CC[N@H+](C)[C@H](C(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1)c1ccccc1 ZINC000112670478 495220608 /nfs/dbraw/zinc/22/06/08/495220608.db2.gz CCEHMXYYDFCJKG-IBGZPJMESA-N 2 2 354.498 3.121 10 0 FGAELP CC[N@@H+](C)[C@H](C(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1)c1ccccc1 ZINC000112670478 495220613 /nfs/dbraw/zinc/22/06/13/495220613.db2.gz CCEHMXYYDFCJKG-IBGZPJMESA-N 2 2 354.498 3.121 10 0 FGAELP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)Nc1cccc(C[NH+](C)C)c1)C2 ZINC000112712491 495227276 /nfs/dbraw/zinc/22/72/76/495227276.db2.gz CCXHHAFRCYURSH-UHFFFAOYSA-N 2 2 355.486 3.195 10 0 FGAELP CCN(CC)C(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000103473775 495238827 /nfs/dbraw/zinc/23/88/27/495238827.db2.gz CYIVIMYUDIOIEO-NQIIRXRSSA-N 2 2 366.509 3.425 10 0 FGAELP CCN(CC)C(=O)[C@H](c1ccccc1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000103473775 495238830 /nfs/dbraw/zinc/23/88/30/495238830.db2.gz CYIVIMYUDIOIEO-NQIIRXRSSA-N 2 2 366.509 3.425 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2nnc(-c3ccccc3)n2C)C1 ZINC000106212363 495433295 /nfs/dbraw/zinc/43/32/95/495433295.db2.gz BDPZTQNAAMQZQY-QGZVFWFLSA-N 2 2 350.470 3.078 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccccc3)n2C)C1 ZINC000106212363 495433296 /nfs/dbraw/zinc/43/32/96/495433296.db2.gz BDPZTQNAAMQZQY-QGZVFWFLSA-N 2 2 350.470 3.078 10 0 FGAELP O[C@@H](C[NH2+]Cc1ccc(-c2c(F)cccc2F)o1)C[NH+]1CCCCC1 ZINC000115613623 495521342 /nfs/dbraw/zinc/52/13/42/495521342.db2.gz MPTWNBKDRUUOET-AWEZNQCLSA-N 2 2 350.409 3.161 10 0 FGAELP C[C@H](NC(=O)[C@H](Cc1ccccc1)[NH+](C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173920981 495747526 /nfs/dbraw/zinc/74/75/26/495747526.db2.gz NOJCBUOQVCNIDU-UWJYYQICSA-N 2 2 362.477 3.222 10 0 FGAELP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(F)cc1Br ZINC000151274883 495790006 /nfs/dbraw/zinc/79/00/06/495790006.db2.gz QFDUPVBCBVGNDY-OCCSQVGLSA-N 2 2 359.283 3.086 10 0 FGAELP C[C@H](CNC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C[NH+]1CCCCC1 ZINC000174173300 495849082 /nfs/dbraw/zinc/84/90/82/495849082.db2.gz OCCVQEMWFWJFQX-MSOLQXFVSA-N 2 2 369.513 3.355 10 0 FGAELP C[C@H](CCc1cccc(F)c1)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000183278957 495913470 /nfs/dbraw/zinc/91/34/70/495913470.db2.gz RWBNAEANSORFOK-GOSISDBHSA-N 2 2 358.505 3.440 10 0 FGAELP C[C@H](CCc1cccc(F)c1)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000183278957 495913473 /nfs/dbraw/zinc/91/34/73/495913473.db2.gz RWBNAEANSORFOK-GOSISDBHSA-N 2 2 358.505 3.440 10 0 FGAELP COc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171647882 495967088 /nfs/dbraw/zinc/96/70/88/495967088.db2.gz JITYSXVRHIXFEL-CQSZACIVSA-N 2 2 374.872 3.116 10 0 FGAELP COc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171647882 495967091 /nfs/dbraw/zinc/96/70/91/495967091.db2.gz JITYSXVRHIXFEL-CQSZACIVSA-N 2 2 374.872 3.116 10 0 FGAELP CCO[C@@H]1C[C@H]([NH2+]Cc2c[nH+]c(C)n2-c2ccccc2)C12CCOCC2 ZINC000186365778 495967239 /nfs/dbraw/zinc/96/72/39/495967239.db2.gz LSXOORHYSNJKLV-VQTJNVASSA-N 2 2 355.482 3.245 10 0 FGAELP C[C@H](NC(=O)NCC(C)(C)[NH+]1CCCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000174689881 496062805 /nfs/dbraw/zinc/06/28/05/496062805.db2.gz SRYVTNJZQCEPTC-KRWDZBQOSA-N 2 2 369.513 3.497 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cccc(C(=O)NCC(C)C)c1 ZINC000178296214 496402695 /nfs/dbraw/zinc/40/26/95/496402695.db2.gz STQMQXRVTPXQMB-HXUWFJFHSA-N 2 2 354.498 3.242 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cccc(C(=O)NCC(C)C)c1 ZINC000178296214 496402700 /nfs/dbraw/zinc/40/27/00/496402700.db2.gz STQMQXRVTPXQMB-HXUWFJFHSA-N 2 2 354.498 3.242 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1nc(CCc2ccccc2)no1 ZINC000178308560 496408592 /nfs/dbraw/zinc/40/85/92/496408592.db2.gz NOTXZCILBPYXOQ-SFHVURJKSA-N 2 2 351.454 3.024 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1nc(CCc2ccccc2)no1 ZINC000178308560 496408596 /nfs/dbraw/zinc/40/85/96/496408596.db2.gz NOTXZCILBPYXOQ-SFHVURJKSA-N 2 2 351.454 3.024 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@H](O)COc1cccc2ccccc21 ZINC000178314278 496409988 /nfs/dbraw/zinc/40/99/88/496409988.db2.gz NOFZDSRLCXKSCJ-UXHICEINSA-N 2 2 365.477 3.249 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@H](O)COc1cccc2ccccc21 ZINC000178314278 496409990 /nfs/dbraw/zinc/40/99/90/496409990.db2.gz NOFZDSRLCXKSCJ-UXHICEINSA-N 2 2 365.477 3.249 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1F ZINC000178748964 496558439 /nfs/dbraw/zinc/55/84/39/496558439.db2.gz IUXMNYDZZMBHMT-CQSZACIVSA-N 2 2 350.825 3.087 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1F ZINC000178748964 496558444 /nfs/dbraw/zinc/55/84/44/496558444.db2.gz IUXMNYDZZMBHMT-CQSZACIVSA-N 2 2 350.825 3.087 10 0 FGAELP CC(C)N(C)c1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)cn1 ZINC000191537762 496802367 /nfs/dbraw/zinc/80/23/67/496802367.db2.gz VXWWNRXLVMHZQW-OAQYLSRUSA-N 2 2 367.541 3.275 10 0 FGAELP CC(C)N(C)c1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)cn1 ZINC000191537762 496802371 /nfs/dbraw/zinc/80/23/71/496802371.db2.gz VXWWNRXLVMHZQW-OAQYLSRUSA-N 2 2 367.541 3.275 10 0 FGAELP CC(C)N(C)c1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)cn1 ZINC000191537762 496802376 /nfs/dbraw/zinc/80/23/76/496802376.db2.gz VXWWNRXLVMHZQW-OAQYLSRUSA-N 2 2 367.541 3.275 10 0 FGAELP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1c[nH+]c2ccc(Br)cn12 ZINC000248404798 496998131 /nfs/dbraw/zinc/99/81/31/496998131.db2.gz ABKPUWLYCZDEFK-GJZGRUSLSA-N 2 2 363.303 3.155 10 0 FGAELP CC[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1c[nH+]c2ccc(Br)cn12 ZINC000248404798 496998136 /nfs/dbraw/zinc/99/81/36/496998136.db2.gz ABKPUWLYCZDEFK-GJZGRUSLSA-N 2 2 363.303 3.155 10 0 FGAELP O[C@@H](C[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1)C[NH+]1CCCCC1 ZINC000189077294 497000199 /nfs/dbraw/zinc/00/01/99/497000199.db2.gz MNRIOBRSQRVXRD-HNNXBMFYSA-N 2 2 350.812 3.295 10 0 FGAELP O[C@@H](C[NH2+][C@H]1CCSc2ccc(F)cc21)C[N@@H+]1CCc2ccccc2C1 ZINC000250640778 497267787 /nfs/dbraw/zinc/26/77/87/497267787.db2.gz UBYOGTRXWXDYFT-ICSRJNTNSA-N 2 2 372.509 3.371 10 0 FGAELP O[C@@H](C[NH2+][C@H]1CCSc2ccc(F)cc21)C[N@H+]1CCc2ccccc2C1 ZINC000250640778 497267788 /nfs/dbraw/zinc/26/77/88/497267788.db2.gz UBYOGTRXWXDYFT-ICSRJNTNSA-N 2 2 372.509 3.371 10 0 FGAELP Cc1c(-c2cc(C[NH2+][C@H](C)c3cccc(-n4cc[nH+]c4)c3)on2)cnn1C ZINC000189903575 497288141 /nfs/dbraw/zinc/28/81/41/497288141.db2.gz IEYLJWLXXMFLML-CQSZACIVSA-N 2 2 362.437 3.420 10 0 FGAELP Cc1nn(C)c2ncc(C[NH2+]C[C@@H]3CCCC[N@@H+]3Cc3ccccc3)cc12 ZINC000237890878 497308059 /nfs/dbraw/zinc/30/80/59/497308059.db2.gz VEIHEQGXYPWCAR-FQEVSTJZSA-N 2 2 363.509 3.421 10 0 FGAELP Cc1nn(C)c2ncc(C[NH2+]C[C@@H]3CCCC[N@H+]3Cc3ccccc3)cc12 ZINC000237890878 497308064 /nfs/dbraw/zinc/30/80/64/497308064.db2.gz VEIHEQGXYPWCAR-FQEVSTJZSA-N 2 2 363.509 3.421 10 0 FGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000193692341 497448760 /nfs/dbraw/zinc/44/87/60/497448760.db2.gz YWHIDYSZQDUKMT-BBRMVZONSA-N 2 2 368.319 3.240 10 0 FGAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000193692341 497448763 /nfs/dbraw/zinc/44/87/63/497448763.db2.gz YWHIDYSZQDUKMT-BBRMVZONSA-N 2 2 368.319 3.240 10 0 FGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)CC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000193692381 497449024 /nfs/dbraw/zinc/44/90/24/497449024.db2.gz WHQWXENFBZKRQB-KBPBESRZSA-N 2 2 357.420 3.496 10 0 FGAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)CC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000193692381 497449029 /nfs/dbraw/zinc/44/90/29/497449029.db2.gz WHQWXENFBZKRQB-KBPBESRZSA-N 2 2 357.420 3.496 10 0 FGAELP CC(C)c1ccccc1NC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261788327 497451820 /nfs/dbraw/zinc/45/18/20/497451820.db2.gz PYKHBPWFCSSUGB-QUCCMNQESA-N 2 2 351.494 3.423 10 0 FGAELP CC(C)c1ccccc1NC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261788327 497451826 /nfs/dbraw/zinc/45/18/26/497451826.db2.gz PYKHBPWFCSSUGB-QUCCMNQESA-N 2 2 351.494 3.423 10 0 FGAELP c1sc(CCc2ccccc2)nc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261930966 497479050 /nfs/dbraw/zinc/47/90/50/497479050.db2.gz LSDFFTWDHMJIBP-AQNXPRMDSA-N 2 2 371.550 3.175 10 0 FGAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2ccc(N3CCCC3)nc2)C1 ZINC000190488479 497501770 /nfs/dbraw/zinc/50/17/70/497501770.db2.gz VUNPVNSYMKSLAU-NRFANRHFSA-N 2 2 365.525 3.031 10 0 FGAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2ccc(N3CCCC3)nc2)C1 ZINC000190488479 497501776 /nfs/dbraw/zinc/50/17/76/497501776.db2.gz VUNPVNSYMKSLAU-NRFANRHFSA-N 2 2 365.525 3.031 10 0 FGAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](Cc2ccc(N3CCCC3)nc2)C1 ZINC000190488479 497501784 /nfs/dbraw/zinc/50/17/84/497501784.db2.gz VUNPVNSYMKSLAU-NRFANRHFSA-N 2 2 365.525 3.031 10 0 FGAELP C[C@@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1csc(Cl)c1 ZINC000191164095 497728915 /nfs/dbraw/zinc/72/89/15/497728915.db2.gz SHBCOJRBXCZZHN-DYVFJYSZSA-N 2 2 350.915 3.471 10 0 FGAELP C[C@@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1csc(Cl)c1 ZINC000191164095 497728922 /nfs/dbraw/zinc/72/89/22/497728922.db2.gz SHBCOJRBXCZZHN-DYVFJYSZSA-N 2 2 350.915 3.471 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H](C)c1nc(Cc2ccccc2)no1 ZINC000246816645 497813227 /nfs/dbraw/zinc/81/32/27/497813227.db2.gz AJPBGJDDHIRHIU-QAPCUYQASA-N 2 2 351.454 3.391 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H](C)c1nc(Cc2ccccc2)no1 ZINC000246816645 497813228 /nfs/dbraw/zinc/81/32/28/497813228.db2.gz AJPBGJDDHIRHIU-QAPCUYQASA-N 2 2 351.454 3.391 10 0 FGAELP O[C@H]1C[C@@H](c2cc(F)ccc2F)[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000246909397 497819930 /nfs/dbraw/zinc/81/99/30/497819930.db2.gz XXOWMXVAEHFHIO-PXNSSMCTSA-N 2 2 355.388 3.458 10 0 FGAELP O[C@H]1C[C@@H](c2cc(F)ccc2F)[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000246909397 497819931 /nfs/dbraw/zinc/81/99/31/497819931.db2.gz XXOWMXVAEHFHIO-PXNSSMCTSA-N 2 2 355.388 3.458 10 0 FGAELP CCn1nc(C)c([C@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c1C ZINC000390893323 499556044 /nfs/dbraw/zinc/55/60/44/499556044.db2.gz BLIWTUDAHMKVFR-UWJYYQICSA-N 2 2 370.541 3.462 10 0 FGAELP CCn1nc(C)c([C@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1C ZINC000390893323 499556047 /nfs/dbraw/zinc/55/60/47/499556047.db2.gz BLIWTUDAHMKVFR-UWJYYQICSA-N 2 2 370.541 3.462 10 0 FGAELP C[NH+]1CCN(c2nc[nH+]c(NC(c3ccccc3)c3ccccc3)c2N)CC1 ZINC000040726317 136120035 /nfs/dbraw/zinc/12/00/35/136120035.db2.gz IAWDNIFCVGCXQV-UHFFFAOYSA-N 2 2 374.492 3.012 10 0 FGAELP CCc1ccc([C@H](C)NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000051759666 493986784 /nfs/dbraw/zinc/98/67/84/493986784.db2.gz ZZRIIFIMSNHCJF-KRWDZBQOSA-N 2 2 372.557 3.168 10 0 FGAELP COc1cc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc(OC)c1OC ZINC000092812823 494758864 /nfs/dbraw/zinc/75/88/64/494758864.db2.gz UAHSJFSJFUNAJI-OAHLLOKOSA-N 2 2 357.454 3.041 10 0 FGAELP COc1cc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc(OC)c1OC ZINC000092812823 494758871 /nfs/dbraw/zinc/75/88/71/494758871.db2.gz UAHSJFSJFUNAJI-OAHLLOKOSA-N 2 2 357.454 3.041 10 0 FGAELP C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000122594518 495000858 /nfs/dbraw/zinc/00/08/58/495000858.db2.gz IBZKZKNJEHPALM-IRXDYDNUSA-N 2 2 369.490 3.385 10 0 FGAELP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@H](CC(C)C)C[NH+](C)C)cc1 ZINC000120348222 495357932 /nfs/dbraw/zinc/35/79/32/495357932.db2.gz ZUXZSZVLYSFIHM-MAUKXSAKSA-N 2 2 355.548 3.075 10 0 FGAELP C[N@H+](Cc1ccccc1C(F)(F)F)C1CC[NH+](CCn2cccn2)CC1 ZINC000106131058 495418209 /nfs/dbraw/zinc/41/82/09/495418209.db2.gz ZCXMMBZVAFDEIU-UHFFFAOYSA-N 2 2 366.431 3.498 10 0 FGAELP C[N@@H+](Cc1ccccc1C(F)(F)F)C1CC[NH+](CCn2cccn2)CC1 ZINC000106131058 495418212 /nfs/dbraw/zinc/41/82/12/495418212.db2.gz ZCXMMBZVAFDEIU-UHFFFAOYSA-N 2 2 366.431 3.498 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NCc2ccccc2C)C1 ZINC000106213923 495432363 /nfs/dbraw/zinc/43/23/63/495432363.db2.gz JZXJEFJHWXNSCQ-HKUYNNGSSA-N 2 2 354.498 3.096 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)NCc2ccccc2C)C1 ZINC000106213923 495432366 /nfs/dbraw/zinc/43/23/66/495432366.db2.gz JZXJEFJHWXNSCQ-HKUYNNGSSA-N 2 2 354.498 3.096 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(C)cc2C)C1 ZINC000106212035 495433370 /nfs/dbraw/zinc/43/33/70/495433370.db2.gz LKQDGPLBFGFZQP-OALUTQOASA-N 2 2 357.498 3.139 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@H](O)COc2ccc(C)cc2C)C1 ZINC000106212035 495433373 /nfs/dbraw/zinc/43/33/73/495433373.db2.gz LKQDGPLBFGFZQP-OALUTQOASA-N 2 2 357.498 3.139 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)NCc2cccc(Cl)c2)C1 ZINC000106216257 495434179 /nfs/dbraw/zinc/43/41/79/495434179.db2.gz GVSJBIOZFIGPGS-KRWDZBQOSA-N 2 2 360.889 3.052 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)NCc2cccc(Cl)c2)C1 ZINC000106216257 495434181 /nfs/dbraw/zinc/43/41/81/495434181.db2.gz GVSJBIOZFIGPGS-KRWDZBQOSA-N 2 2 360.889 3.052 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc(C(C)=O)c2)C1 ZINC000106217607 495436630 /nfs/dbraw/zinc/43/66/30/495436630.db2.gz WKIJKFVTHLBPDJ-KXBFYZLASA-N 2 2 368.481 3.312 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc(C(C)=O)c2)C1 ZINC000106217607 495436631 /nfs/dbraw/zinc/43/66/31/495436631.db2.gz WKIJKFVTHLBPDJ-KXBFYZLASA-N 2 2 368.481 3.312 10 0 FGAELP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000106456098 495456858 /nfs/dbraw/zinc/45/68/58/495456858.db2.gz HKQRDZLIFXXNFI-SFHVURJKSA-N 2 2 372.538 3.240 10 0 FGAELP FC(F)(F)c1ccc2c(c1)[nH+]ccc2N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000125574470 495465437 /nfs/dbraw/zinc/46/54/37/495465437.db2.gz NTJJBPPZRDVYQM-AWEZNQCLSA-N 2 2 351.372 3.165 10 0 FGAELP Cc1sc2[nH]c([C@@H](C)[N@@H+]3CCC[C@@H]3Cn3cc[nH+]c3C)nc(=O)c2c1C ZINC000154579031 495659758 /nfs/dbraw/zinc/65/97/58/495659758.db2.gz ASYOOIDOLFDLBV-IUODEOHRSA-N 2 2 371.510 3.332 10 0 FGAELP Cc1sc2[nH]c([C@@H](C)[N@H+]3CCC[C@@H]3Cn3cc[nH+]c3C)nc(=O)c2c1C ZINC000154579031 495659760 /nfs/dbraw/zinc/65/97/60/495659760.db2.gz ASYOOIDOLFDLBV-IUODEOHRSA-N 2 2 371.510 3.332 10 0 FGAELP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)C12CCOCC2 ZINC000186197467 495892594 /nfs/dbraw/zinc/89/25/94/495892594.db2.gz RJJAUTLEKWBJGI-PWRODBHTSA-N 2 2 358.526 3.387 10 0 FGAELP CCO[C@@H]1C[C@H]([NH2+][C@@H](C[NH+]2CCCC2)c2ccccc2)C12CCOCC2 ZINC000186222736 495902563 /nfs/dbraw/zinc/90/25/63/495902563.db2.gz ATPWMDQKKZKBJK-PCCBWWKXSA-N 2 2 358.526 3.387 10 0 FGAELP CC(=O)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171644349 495963949 /nfs/dbraw/zinc/96/39/49/495963949.db2.gz IWSKZMYEYJELDD-DOTOQJQBSA-N 2 2 366.465 3.045 10 0 FGAELP CC(=O)c1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171644349 495963954 /nfs/dbraw/zinc/96/39/54/495963954.db2.gz IWSKZMYEYJELDD-DOTOQJQBSA-N 2 2 366.465 3.045 10 0 FGAELP COc1ccc2c(C[N@@H+]3CC[C@H](CNc4cccc[nH+]4)C3)cc(=O)oc2c1 ZINC000171646768 495965924 /nfs/dbraw/zinc/96/59/24/495965924.db2.gz VXYMSWXNGQXXSP-OAHLLOKOSA-N 2 2 365.433 3.131 10 0 FGAELP COc1ccc2c(C[N@H+]3CC[C@H](CNc4cccc[nH+]4)C3)cc(=O)oc2c1 ZINC000171646768 495965927 /nfs/dbraw/zinc/96/59/27/495965927.db2.gz VXYMSWXNGQXXSP-OAHLLOKOSA-N 2 2 365.433 3.131 10 0 FGAELP CCc1cccc(C)c1NC(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171647081 495967055 /nfs/dbraw/zinc/96/70/55/495967055.db2.gz IARZJBLHQMDLCB-QGZVFWFLSA-N 2 2 352.482 3.325 10 0 FGAELP CCc1cccc(C)c1NC(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171647081 495967058 /nfs/dbraw/zinc/96/70/58/495967058.db2.gz IARZJBLHQMDLCB-QGZVFWFLSA-N 2 2 352.482 3.325 10 0 FGAELP COC(=O)c1cc(F)ccc1C[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000171648388 495968671 /nfs/dbraw/zinc/96/86/71/495968671.db2.gz WEFJLEGVBOGYSJ-HNNXBMFYSA-N 2 2 357.429 3.250 10 0 FGAELP COC(=O)c1cc(F)ccc1C[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000171648388 495968678 /nfs/dbraw/zinc/96/86/78/495968678.db2.gz WEFJLEGVBOGYSJ-HNNXBMFYSA-N 2 2 357.429 3.250 10 0 FGAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)CCc2ccc(OC)cc2)nc[nH+]1 ZINC000180570275 496048428 /nfs/dbraw/zinc/04/84/28/496048428.db2.gz AKGGCCYTUMVIMG-AEFFLSMTSA-N 2 2 369.513 3.107 10 0 FGAELP C[C@@H]([NH2+][C@@H](C)C(=O)NCc1cccs1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180660496 496092853 /nfs/dbraw/zinc/09/28/53/496092853.db2.gz XJAIJVLWBWEAQK-CABCVRRESA-N 2 2 354.479 3.289 10 0 FGAELP Cc1ccccc1CCNC(=O)C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180668393 496096961 /nfs/dbraw/zinc/09/69/61/496096961.db2.gz OBYPSAHJUMAEPG-GOSISDBHSA-N 2 2 362.477 3.190 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@H+](Cc3ccc(Br)cn3)C2)[nH+]1 ZINC000171960145 496110106 /nfs/dbraw/zinc/11/01/06/496110106.db2.gz PAYYOPFFIGCCHC-CQSZACIVSA-N 2 2 361.287 3.482 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3ccc(Br)cn3)C2)[nH+]1 ZINC000171960145 496110111 /nfs/dbraw/zinc/11/01/11/496110111.db2.gz PAYYOPFFIGCCHC-CQSZACIVSA-N 2 2 361.287 3.482 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3nnc(C4CC4)n3C3CC3)C2)[nH+]1 ZINC000181362831 496367247 /nfs/dbraw/zinc/36/72/47/496367247.db2.gz RDBAEUMITDEJBQ-HNNXBMFYSA-N 2 2 352.486 3.128 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3nnc(C4CC4)n3C3CC3)C2)[nH+]1 ZINC000181362831 496367251 /nfs/dbraw/zinc/36/72/51/496367251.db2.gz RDBAEUMITDEJBQ-HNNXBMFYSA-N 2 2 352.486 3.128 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000178299927 496404074 /nfs/dbraw/zinc/40/40/74/496404074.db2.gz GVRHBWUEHXRAQR-UXHICEINSA-N 2 2 371.525 3.393 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000178299927 496404078 /nfs/dbraw/zinc/40/40/78/496404078.db2.gz GVRHBWUEHXRAQR-UXHICEINSA-N 2 2 371.525 3.393 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@H](O)COc2ccccc2Cl)C1 ZINC000178613217 496515544 /nfs/dbraw/zinc/51/55/44/496515544.db2.gz BSDRGHOTZRVRAY-CVEARBPZSA-N 2 2 363.889 3.176 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2Cl)C1 ZINC000178613217 496515550 /nfs/dbraw/zinc/51/55/50/496515550.db2.gz BSDRGHOTZRVRAY-CVEARBPZSA-N 2 2 363.889 3.176 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000178746463 496559224 /nfs/dbraw/zinc/55/92/24/496559224.db2.gz GIUTUVRNYPDUGP-CQSZACIVSA-N 2 2 350.825 3.087 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000178746463 496559233 /nfs/dbraw/zinc/55/92/33/496559233.db2.gz GIUTUVRNYPDUGP-CQSZACIVSA-N 2 2 350.825 3.087 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)c2cn(-c3ccccc3)nn2)C1 ZINC000247288312 496825598 /nfs/dbraw/zinc/82/55/98/496825598.db2.gz HHVSPRGGZVEMOU-AEFFLSMTSA-N 2 2 350.470 3.424 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)c2cn(-c3ccccc3)nn2)C1 ZINC000247288312 496825602 /nfs/dbraw/zinc/82/56/02/496825602.db2.gz HHVSPRGGZVEMOU-AEFFLSMTSA-N 2 2 350.470 3.424 10 0 FGAELP C[C@H]1C[C@@H](C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)CC(C)(C)C1 ZINC000248536975 497033569 /nfs/dbraw/zinc/03/35/69/497033569.db2.gz HCIPQHLQTAMSMV-HFKIYIHZSA-N 2 2 361.574 3.218 10 0 FGAELP C[C@H]1C[C@@H](C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CC(C)(C)C1 ZINC000248536975 497033574 /nfs/dbraw/zinc/03/35/74/497033574.db2.gz HCIPQHLQTAMSMV-HFKIYIHZSA-N 2 2 361.574 3.218 10 0 FGAELP CCOC(=O)[C@@H](CC(C)C)[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000248637169 497067076 /nfs/dbraw/zinc/06/70/76/497067076.db2.gz AAXORZMEWMTAEJ-DLBZAZTESA-N 2 2 367.559 3.183 10 0 FGAELP CCOC(=O)[C@@H](CC(C)C)[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000248637169 497067079 /nfs/dbraw/zinc/06/70/79/497067079.db2.gz AAXORZMEWMTAEJ-DLBZAZTESA-N 2 2 367.559 3.183 10 0 FGAELP CCOC(=O)[C@@H](CC(C)C)[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000248637169 497067084 /nfs/dbraw/zinc/06/70/84/497067084.db2.gz AAXORZMEWMTAEJ-DLBZAZTESA-N 2 2 367.559 3.183 10 0 FGAELP CCOC(=O)[C@@H](CC(C)C)[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000248637169 497067089 /nfs/dbraw/zinc/06/70/89/497067089.db2.gz AAXORZMEWMTAEJ-DLBZAZTESA-N 2 2 367.559 3.183 10 0 FGAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)CCc2ccccc2)C1 ZINC000248661834 497075409 /nfs/dbraw/zinc/07/54/09/497075409.db2.gz XTRMZIHZRHVWPW-UXHICEINSA-N 2 2 373.566 3.199 10 0 FGAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)CCc2ccccc2)C1 ZINC000248661834 497075414 /nfs/dbraw/zinc/07/54/14/497075414.db2.gz XTRMZIHZRHVWPW-UXHICEINSA-N 2 2 373.566 3.199 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)CCc2ccccc2)C1 ZINC000248661834 497075419 /nfs/dbraw/zinc/07/54/19/497075419.db2.gz XTRMZIHZRHVWPW-UXHICEINSA-N 2 2 373.566 3.199 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)CCc2ccccc2)C1 ZINC000248661834 497075423 /nfs/dbraw/zinc/07/54/23/497075423.db2.gz XTRMZIHZRHVWPW-UXHICEINSA-N 2 2 373.566 3.199 10 0 FGAELP C[C@@H]1CCCN(c2cc(N3CC[NH+](Cc4ccccc4)CC3)nc[nH+]2)C1 ZINC000244190734 497363958 /nfs/dbraw/zinc/36/39/58/497363958.db2.gz VNCQUTFCBYUBKJ-GOSISDBHSA-N 2 2 351.498 3.035 10 0 FGAELP Cn1ccnc1C[N@H+](Cc1cc(Cl)cs1)[C@H]1CC12CC[NH2+]CC2 ZINC000261811331 497455618 /nfs/dbraw/zinc/45/56/18/497455618.db2.gz HQYVKSJACVIWAL-HNNXBMFYSA-N 2 2 350.919 3.279 10 0 FGAELP Cn1ccnc1C[N@@H+](Cc1cc(Cl)cs1)[C@H]1CC12CC[NH2+]CC2 ZINC000261811331 497455622 /nfs/dbraw/zinc/45/56/22/497455622.db2.gz HQYVKSJACVIWAL-HNNXBMFYSA-N 2 2 350.919 3.279 10 0 FGAELP Cn1cc[nH+]c1CN(Cc1cc(Cl)cs1)[C@H]1CC12CC[NH2+]CC2 ZINC000261811331 497455627 /nfs/dbraw/zinc/45/56/27/497455627.db2.gz HQYVKSJACVIWAL-HNNXBMFYSA-N 2 2 350.919 3.279 10 0 FGAELP CC(C)(C)n1cc(C[N@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)nn1 ZINC000261929641 497477452 /nfs/dbraw/zinc/47/74/52/497477452.db2.gz LKKWZONGOOEGDK-QGZVFWFLSA-N 2 2 359.543 3.239 10 0 FGAELP CC(C)(C)n1cc(C[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)nn1 ZINC000261929641 497477453 /nfs/dbraw/zinc/47/74/53/497477453.db2.gz LKKWZONGOOEGDK-QGZVFWFLSA-N 2 2 359.543 3.239 10 0 FGAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2cnn(C(C)(C)C)c2)C1 ZINC000190461673 497488351 /nfs/dbraw/zinc/48/83/51/497488351.db2.gz IVYOSEOQXNOPRD-INIZCTEOSA-N 2 2 361.559 3.357 10 0 FGAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2cnn(C(C)(C)C)c2)C1 ZINC000190461673 497488355 /nfs/dbraw/zinc/48/83/55/497488355.db2.gz IVYOSEOQXNOPRD-INIZCTEOSA-N 2 2 361.559 3.357 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2cnn(C(C)(C)C)c2)C1 ZINC000190461673 497488359 /nfs/dbraw/zinc/48/83/59/497488359.db2.gz IVYOSEOQXNOPRD-INIZCTEOSA-N 2 2 361.559 3.357 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cnn(C(C)(C)C)c2)C1 ZINC000190461673 497488362 /nfs/dbraw/zinc/48/83/62/497488362.db2.gz IVYOSEOQXNOPRD-INIZCTEOSA-N 2 2 361.559 3.357 10 0 FGAELP Cn1cc[nH+]c1CN(Cc1cc(F)ccc1Cl)[C@@H]1CC12CC[NH2+]CC2 ZINC000262185846 497521098 /nfs/dbraw/zinc/52/10/98/497521098.db2.gz XRMBWLBBGYVKIF-QGZVFWFLSA-N 2 2 362.880 3.357 10 0 FGAELP [NH3+][C@@H]1CCC[C@H](C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000262243485 497528686 /nfs/dbraw/zinc/52/86/86/497528686.db2.gz BYDZOJZDIQIYFD-XKQJLSEDSA-N 2 2 367.896 3.077 10 0 FGAELP [NH3+][C@@H]1CCC[C@H](C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000262243485 497528691 /nfs/dbraw/zinc/52/86/91/497528691.db2.gz BYDZOJZDIQIYFD-XKQJLSEDSA-N 2 2 367.896 3.077 10 0 FGAELP CC(C)[N@@H+]1C[C@H](C)[C@H]([NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)C1 ZINC000246523038 497762344 /nfs/dbraw/zinc/76/23/44/497762344.db2.gz UVJSSRNWBLOFJW-HNAYVOBHSA-N 2 2 363.933 3.263 10 0 FGAELP CC(C)[N@H+]1C[C@H](C)[C@H]([NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)C1 ZINC000246523038 497762349 /nfs/dbraw/zinc/76/23/49/497762349.db2.gz UVJSSRNWBLOFJW-HNAYVOBHSA-N 2 2 363.933 3.263 10 0 FGAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000246891752 497818944 /nfs/dbraw/zinc/81/89/44/497818944.db2.gz FMBSNDLSKPXOGS-CZUORRHYSA-N 2 2 368.319 3.240 10 0 FGAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000246891752 497818945 /nfs/dbraw/zinc/81/89/45/497818945.db2.gz FMBSNDLSKPXOGS-CZUORRHYSA-N 2 2 368.319 3.240 10 0 FGAELP COc1cccc2c1[nH+]cc(C)c2N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000302658022 498525303 /nfs/dbraw/zinc/52/53/03/498525303.db2.gz OMAOEACNVLDPFN-INIZCTEOSA-N 2 2 357.498 3.081 10 0 FGAELP CC(C)c1cnc(CN(Cc2[nH+]ccn2C)[C@@H]2CC23CC[NH2+]CC3)s1 ZINC000262176297 519850462 /nfs/dbraw/zinc/85/04/62/519850462.db2.gz VXNSBUDAVCJEEW-MRXNPFEDSA-N 2 2 359.543 3.144 10 0 FGAELP C[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](Cc1cn3ccccc3n1)CC2 ZINC000275696599 523603973 /nfs/dbraw/zinc/60/39/73/523603973.db2.gz MWGXGVDPFYGRNF-QGZVFWFLSA-N 2 2 367.522 3.277 10 0 FGAELP C[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](Cc1cn3ccccc3n1)CC2 ZINC000275696599 523603983 /nfs/dbraw/zinc/60/39/83/523603983.db2.gz MWGXGVDPFYGRNF-QGZVFWFLSA-N 2 2 367.522 3.277 10 0 FGAELP C[N@H+](Cc1nccs1)[C@H]1CC12CC[NH+](Cc1cn3ccccc3n1)CC2 ZINC000275696596 523604833 /nfs/dbraw/zinc/60/48/33/523604833.db2.gz MWGXGVDPFYGRNF-KRWDZBQOSA-N 2 2 367.522 3.277 10 0 FGAELP C[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH+](Cc1cn3ccccc3n1)CC2 ZINC000275696596 523604842 /nfs/dbraw/zinc/60/48/42/523604842.db2.gz MWGXGVDPFYGRNF-KRWDZBQOSA-N 2 2 367.522 3.277 10 0 FGAELP CNc1cc(N2CCC[C@H]2C[NH2+]C2CCC(C(F)(F)F)CC2)nc[nH+]1 ZINC000184561491 712672966 /nfs/dbraw/zinc/67/29/66/712672966.db2.gz IHUZRHGSQAUCAS-RUXDESIVSA-N 2 2 357.424 3.198 10 0 FGAELP CC(C)C[C@@H](C[NH+](C)C)[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000194016595 713507933 /nfs/dbraw/zinc/50/79/33/713507933.db2.gz NVNKTZIMJCBVLI-XFYFCPPXSA-N 2 2 353.551 3.483 10 0 FGAELP CC[C@@H]1CCc2c(sc(=O)n2C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)C1 ZINC000246360656 713622357 /nfs/dbraw/zinc/62/23/57/713622357.db2.gz MZSLIJXZJJTNLU-CVEARBPZSA-N 2 2 360.527 3.052 10 0 FGAELP CC[C@@H]1CCc2c(sc(=O)n2C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)C1 ZINC000246360656 713622358 /nfs/dbraw/zinc/62/23/58/713622358.db2.gz MZSLIJXZJJTNLU-CVEARBPZSA-N 2 2 360.527 3.052 10 0 FGAELP Cc1nc(NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)c2c([nH+]1)CCCC2 ZINC000302076285 257383516 /nfs/dbraw/zinc/38/35/16/257383516.db2.gz HFRZJCUOPNPHJJ-IBGZPJMESA-N 2 2 366.509 3.233 10 0 FGAELP Cc1nc(NCc2ccccc2C[N@H+]2CCC[C@H]2CO)c2c([nH+]1)CCCC2 ZINC000302076285 257383518 /nfs/dbraw/zinc/38/35/18/257383518.db2.gz HFRZJCUOPNPHJJ-IBGZPJMESA-N 2 2 366.509 3.233 10 0 FGAELP C[C@@H](NC(=O)NC[C@H](C)[NH+]1CCC(C)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000073897950 494443953 /nfs/dbraw/zinc/44/39/53/494443953.db2.gz RLQXHCNXUDOVJU-ZWKOTPCHSA-N 2 2 369.513 3.353 10 0 FGAELP CC(C)CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000074875749 494637820 /nfs/dbraw/zinc/63/78/20/494637820.db2.gz HJBVXZKJDWWQBT-KRWDZBQOSA-N 2 2 357.502 3.163 10 0 FGAELP COc1cc(OC)c(OC)cc1C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000092812697 494757805 /nfs/dbraw/zinc/75/78/05/494757805.db2.gz BGGJSXSYWIJMQE-HNNXBMFYSA-N 2 2 357.454 3.041 10 0 FGAELP COc1cc(OC)c(OC)cc1C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000092812697 494757813 /nfs/dbraw/zinc/75/78/13/494757813.db2.gz BGGJSXSYWIJMQE-HNNXBMFYSA-N 2 2 357.454 3.041 10 0 FGAELP CSc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000154585289 495663330 /nfs/dbraw/zinc/66/33/30/495663330.db2.gz UAEZKWHWWAHDJL-GOEBONIOSA-N 2 2 358.511 3.405 10 0 FGAELP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH2+][C@@H](C)c2cccs2)CC1 ZINC000171111984 495729255 /nfs/dbraw/zinc/72/92/55/495729255.db2.gz FTKNKKWQBAWGAO-KRWDZBQOSA-N 2 2 357.523 3.052 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2c(F)cccc2F)C1 ZINC000171523396 495912389 /nfs/dbraw/zinc/91/23/89/495912389.db2.gz IKXSOJJNNGHAPX-KBPBESRZSA-N 2 2 362.424 3.388 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2c(F)cccc2F)C1 ZINC000171523396 495912394 /nfs/dbraw/zinc/91/23/94/495912394.db2.gz IKXSOJJNNGHAPX-KBPBESRZSA-N 2 2 362.424 3.388 10 0 FGAELP CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)C12CCOCC2 ZINC000186274710 495923489 /nfs/dbraw/zinc/92/34/89/495923489.db2.gz MYVXABNWVTUDSO-MOPGFXCFSA-N 2 2 359.445 3.075 10 0 FGAELP CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171644151 495961607 /nfs/dbraw/zinc/96/16/07/495961607.db2.gz GAVMOJVEDIXZIL-VQIMIIECSA-N 2 2 368.481 3.241 10 0 FGAELP CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171644151 495961614 /nfs/dbraw/zinc/96/16/14/495961614.db2.gz GAVMOJVEDIXZIL-VQIMIIECSA-N 2 2 368.481 3.241 10 0 FGAELP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000171642944 495962019 /nfs/dbraw/zinc/96/20/19/495962019.db2.gz KQWARINPPCTRPU-QZTJIDSGSA-N 2 2 352.482 3.459 10 0 FGAELP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000171642944 495962025 /nfs/dbraw/zinc/96/20/25/495962025.db2.gz KQWARINPPCTRPU-QZTJIDSGSA-N 2 2 352.482 3.459 10 0 FGAELP C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171645504 495964520 /nfs/dbraw/zinc/96/45/20/495964520.db2.gz BVUNCVKKXRAHME-FUHWJXTLSA-N 2 2 370.472 3.002 10 0 FGAELP C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171645504 495964525 /nfs/dbraw/zinc/96/45/25/495964525.db2.gz BVUNCVKKXRAHME-FUHWJXTLSA-N 2 2 370.472 3.002 10 0 FGAELP COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1Cl ZINC000171647967 495966247 /nfs/dbraw/zinc/96/62/47/495966247.db2.gz YMVLBBATXBJKGF-AWEZNQCLSA-N 2 2 374.872 3.116 10 0 FGAELP COc1ccc(NC(=O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1Cl ZINC000171647967 495966252 /nfs/dbraw/zinc/96/62/52/495966252.db2.gz YMVLBBATXBJKGF-AWEZNQCLSA-N 2 2 374.872 3.116 10 0 FGAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H]2CCSc3ccc(F)cc32)nc[nH+]1 ZINC000180576749 496052744 /nfs/dbraw/zinc/05/27/44/496052744.db2.gz LCVJXCCMHFJAFZ-GDBMZVCRSA-N 2 2 373.501 3.453 10 0 FGAELP Cc1ccsc1CNC(=O)C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180650239 496087673 /nfs/dbraw/zinc/08/76/73/496087673.db2.gz UFKKBEGVDBPVAK-OAHLLOKOSA-N 2 2 354.479 3.209 10 0 FGAELP C[C@@H]([NH2+]CCC(=O)Nc1cc(N)ccc1F)c1cccc(-n2cc[nH+]c2)c1 ZINC000180658942 496091265 /nfs/dbraw/zinc/09/12/65/496091265.db2.gz OYHKSIMFSBEFHO-CQSZACIVSA-N 2 2 367.428 3.273 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000178305615 496406724 /nfs/dbraw/zinc/40/67/24/496406724.db2.gz GRUBWHDCECBSQK-NRFANRHFSA-N 2 2 366.509 3.482 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000178305615 496406729 /nfs/dbraw/zinc/40/67/29/496406729.db2.gz GRUBWHDCECBSQK-NRFANRHFSA-N 2 2 366.509 3.482 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1c(C)ccc(C)c1C ZINC000247004735 496749466 /nfs/dbraw/zinc/74/94/66/496749466.db2.gz KXRZBWUBECZWRO-VQTJNVASSA-N 2 2 357.498 3.021 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@@H](O)COc1c(C)ccc(C)c1C ZINC000247004735 496749467 /nfs/dbraw/zinc/74/94/67/496749467.db2.gz KXRZBWUBECZWRO-VQTJNVASSA-N 2 2 357.498 3.021 10 0 FGAELP CCCCOC[C@H](O)C[NH+]1CCC(n2c(CC)[nH+]c3ccccc32)CC1 ZINC000195209626 496850781 /nfs/dbraw/zinc/85/07/81/496850781.db2.gz RAHBRVUFTOSLPX-GOSISDBHSA-N 2 2 359.514 3.413 10 0 FGAELP CCN(C(=O)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1)C1CCCCC1 ZINC000195286899 496875967 /nfs/dbraw/zinc/87/59/67/496875967.db2.gz XTLKNTZIFUSPAR-FQEVSTJZSA-N 2 2 372.557 3.017 10 0 FGAELP CCN(C(=O)C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1)C1CCCCC1 ZINC000195286899 496875971 /nfs/dbraw/zinc/87/59/71/496875971.db2.gz XTLKNTZIFUSPAR-FQEVSTJZSA-N 2 2 372.557 3.017 10 0 FGAELP CCN(C(=O)C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1)C1CCCCC1 ZINC000195286899 496875975 /nfs/dbraw/zinc/87/59/75/496875975.db2.gz XTLKNTZIFUSPAR-FQEVSTJZSA-N 2 2 372.557 3.017 10 0 FGAELP CCN(C(=O)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1)C1CCCCC1 ZINC000195286899 496875981 /nfs/dbraw/zinc/87/59/81/496875981.db2.gz XTLKNTZIFUSPAR-FQEVSTJZSA-N 2 2 372.557 3.017 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@@H](O)COc2c(C)ccc(C)c2C)C1 ZINC000247575220 496892318 /nfs/dbraw/zinc/89/23/18/496892318.db2.gz HSKTVBJPWHBAHN-VQTJNVASSA-N 2 2 371.525 3.448 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc(C(C)=O)c2)C1 ZINC000247816635 496919083 /nfs/dbraw/zinc/91/90/83/496919083.db2.gz WKIJKFVTHLBPDJ-DNVCBOLYSA-N 2 2 368.481 3.312 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc(C(C)=O)c2)C1 ZINC000247816635 496919085 /nfs/dbraw/zinc/91/90/85/496919085.db2.gz WKIJKFVTHLBPDJ-DNVCBOLYSA-N 2 2 368.481 3.312 10 0 FGAELP Cc1nc(N2CCC[C@H]([N@H+](C)CC(=O)OC(C)(C)C)CC2)c(C)c(C)[nH+]1 ZINC000192268580 497056002 /nfs/dbraw/zinc/05/60/02/497056002.db2.gz JWZUHBCIDRMXOW-KRWDZBQOSA-N 2 2 362.518 3.034 10 0 FGAELP Cc1nc(N2CCC[C@H]([N@@H+](C)CC(=O)OC(C)(C)C)CC2)c(C)c(C)[nH+]1 ZINC000192268580 497056004 /nfs/dbraw/zinc/05/60/04/497056004.db2.gz JWZUHBCIDRMXOW-KRWDZBQOSA-N 2 2 362.518 3.034 10 0 FGAELP Cn1c2ccccc2[nH+]c1N1CCC[C@@H]([N@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000192268307 497056428 /nfs/dbraw/zinc/05/64/28/497056428.db2.gz XUCREWHLLLMKHT-MRXNPFEDSA-N 2 2 372.513 3.206 10 0 FGAELP Cn1c2ccccc2[nH+]c1N1CCC[C@@H]([N@@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000192268307 497056433 /nfs/dbraw/zinc/05/64/33/497056433.db2.gz XUCREWHLLLMKHT-MRXNPFEDSA-N 2 2 372.513 3.206 10 0 FGAELP [NH3+]C[C@@H]1C[N@H+](Cc2nc(CCc3ccccc3)no2)C[C@H]1c1ccccc1 ZINC000261739060 497443656 /nfs/dbraw/zinc/44/36/56/497443656.db2.gz MOJMHPAZWPUMDN-UXHICEINSA-N 2 2 362.477 3.029 10 0 FGAELP [NH3+]C[C@@H]1C[N@@H+](Cc2nc(CCc3ccccc3)no2)C[C@H]1c1ccccc1 ZINC000261739060 497443659 /nfs/dbraw/zinc/44/36/59/497443659.db2.gz MOJMHPAZWPUMDN-UXHICEINSA-N 2 2 362.477 3.029 10 0 FGAELP Clc1ccc2sc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)nc2c1 ZINC000261936078 497478835 /nfs/dbraw/zinc/47/88/35/497478835.db2.gz MFWUDPSONFRWMT-GUTXKFCHSA-N 2 2 351.903 3.196 10 0 FGAELP COc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2C[C@H](C)[C@H]([NH3+])C2)cc1 ZINC000261940036 497479798 /nfs/dbraw/zinc/47/97/98/497479798.db2.gz DOSVHKJHDIHEBF-HRAATJIYSA-N 2 2 362.477 3.327 10 0 FGAELP COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2C[C@H](C)[C@H]([NH3+])C2)cc1 ZINC000261940036 497479801 /nfs/dbraw/zinc/47/98/01/497479801.db2.gz DOSVHKJHDIHEBF-HRAATJIYSA-N 2 2 362.477 3.327 10 0 FGAELP COC(=O)c1cccc(C[N@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000261937047 497480023 /nfs/dbraw/zinc/48/00/23/497480023.db2.gz MHDMMJIHJUXHSF-KRWDZBQOSA-N 2 2 371.506 3.074 10 0 FGAELP COC(=O)c1cccc(C[N@@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000261937047 497480028 /nfs/dbraw/zinc/48/00/28/497480028.db2.gz MHDMMJIHJUXHSF-KRWDZBQOSA-N 2 2 371.506 3.074 10 0 FGAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000190479577 497496987 /nfs/dbraw/zinc/49/69/87/497496987.db2.gz DUQUBJVXRIKEGV-NRFANRHFSA-N 2 2 361.493 3.221 10 0 FGAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000190479577 497496991 /nfs/dbraw/zinc/49/69/91/497496991.db2.gz DUQUBJVXRIKEGV-NRFANRHFSA-N 2 2 361.493 3.221 10 0 FGAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000190479577 497496995 /nfs/dbraw/zinc/49/69/95/497496995.db2.gz DUQUBJVXRIKEGV-NRFANRHFSA-N 2 2 361.493 3.221 10 0 FGAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000190479577 497497000 /nfs/dbraw/zinc/49/70/00/497497000.db2.gz DUQUBJVXRIKEGV-NRFANRHFSA-N 2 2 361.493 3.221 10 0 FGAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000190479577 497497004 /nfs/dbraw/zinc/49/70/04/497497004.db2.gz DUQUBJVXRIKEGV-NRFANRHFSA-N 3 2 361.493 3.221 10 0 FGAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000190479577 497497009 /nfs/dbraw/zinc/49/70/09/497497009.db2.gz DUQUBJVXRIKEGV-NRFANRHFSA-N 3 2 361.493 3.221 10 0 FGAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000190479577 497497014 /nfs/dbraw/zinc/49/70/14/497497014.db2.gz DUQUBJVXRIKEGV-NRFANRHFSA-N 3 2 361.493 3.221 10 0 FGAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000190479577 497497017 /nfs/dbraw/zinc/49/70/17/497497017.db2.gz DUQUBJVXRIKEGV-NRFANRHFSA-N 3 2 361.493 3.221 10 0 FGAELP C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246070774 497610893 /nfs/dbraw/zinc/61/08/93/497610893.db2.gz BPXDWMFXLGNMFF-KURKYZTESA-N 2 2 364.493 3.182 10 0 FGAELP C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246070774 497610896 /nfs/dbraw/zinc/61/08/96/497610896.db2.gz BPXDWMFXLGNMFF-KURKYZTESA-N 2 2 364.493 3.182 10 0 FGAELP CC(C)[N@H+]1C[C@@H](C)[C@H]([NH2+][C@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000246390946 497718304 /nfs/dbraw/zinc/71/83/04/497718304.db2.gz KXAVECJIUMZABC-GPMSIDNRSA-N 2 2 365.949 3.395 10 0 FGAELP CC(C)c1nc(NC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)nc(N(C)C)[nH+]1 ZINC000301977271 498352860 /nfs/dbraw/zinc/35/28/60/498352860.db2.gz WNMGEIVYLXFDCG-FUHWJXTLSA-N 2 2 368.529 3.384 10 0 FGAELP CC(C)c1nc(NC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)nc(N(C)C)[nH+]1 ZINC000301977271 498352867 /nfs/dbraw/zinc/35/28/67/498352867.db2.gz WNMGEIVYLXFDCG-FUHWJXTLSA-N 2 2 368.529 3.384 10 0 FGAELP Cc1nc(C[N@@H+]2CCCN(c3nc(C)[nH+]c4c3CCCC4)CC2)cs1 ZINC000302043579 498383230 /nfs/dbraw/zinc/38/32/30/498383230.db2.gz JIDHIJFFLUXFPU-UHFFFAOYSA-N 2 2 357.527 3.141 10 0 FGAELP Cc1nc(C[N@H+]2CCCN(c3nc(C)[nH+]c4c3CCCC4)CC2)cs1 ZINC000302043579 498383235 /nfs/dbraw/zinc/38/32/35/498383235.db2.gz JIDHIJFFLUXFPU-UHFFFAOYSA-N 2 2 357.527 3.141 10 0 FGAELP O=C1COc2ccc(C[NH2+]C[C@H]3CCCC[N@@H+]3Cc3ccccc3)cc2N1 ZINC000379623407 499541839 /nfs/dbraw/zinc/54/18/39/499541839.db2.gz IGZAKRVCWKHBSX-LJQANCHMSA-N 2 2 365.477 3.162 10 0 FGAELP O=C1COc2ccc(C[NH2+]C[C@H]3CCCC[N@H+]3Cc3ccccc3)cc2N1 ZINC000379623407 499541840 /nfs/dbraw/zinc/54/18/40/499541840.db2.gz IGZAKRVCWKHBSX-LJQANCHMSA-N 2 2 365.477 3.162 10 0 FGAELP CC[C@H]([NH2+]CCCn1cc[nH+]c1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000188645303 712774048 /nfs/dbraw/zinc/77/40/48/712774048.db2.gz YIAGXMVYPKOETE-DLBZAZTESA-N 2 2 350.507 3.431 10 0 FGAELP C[C@H]([NH2+]CCCCn1cc[nH+]c1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000310475593 713799234 /nfs/dbraw/zinc/79/92/34/713799234.db2.gz NOTYEGBINOOPHB-IRXDYDNUSA-N 2 2 350.507 3.289 10 0 FGAELP Fc1ccc(-n2cc(C[N@@H+]3CC[C@H](CNc4cccc[nH+]4)C3)cn2)cc1 ZINC000092812950 494757233 /nfs/dbraw/zinc/75/72/33/494757233.db2.gz YECMMNMSVYGZIW-MRXNPFEDSA-N 2 2 351.429 3.340 10 0 FGAELP Fc1ccc(-n2cc(C[N@H+]3CC[C@H](CNc4cccc[nH+]4)C3)cn2)cc1 ZINC000092812950 494757241 /nfs/dbraw/zinc/75/72/41/494757241.db2.gz YECMMNMSVYGZIW-MRXNPFEDSA-N 2 2 351.429 3.340 10 0 FGAELP O[C@@H](C[NH2+][C@@H]1CCSc2ccccc21)C[N@@H+]1CCc2ccccc2C1 ZINC000098143835 495061900 /nfs/dbraw/zinc/06/19/00/495061900.db2.gz IIERDUPWUWLEQP-AZUAARDMSA-N 2 2 354.519 3.232 10 0 FGAELP O[C@@H](C[NH2+][C@@H]1CCSc2ccccc21)C[N@H+]1CCc2ccccc2C1 ZINC000098143835 495061902 /nfs/dbraw/zinc/06/19/02/495061902.db2.gz IIERDUPWUWLEQP-AZUAARDMSA-N 2 2 354.519 3.232 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@H](O)COc2cc(C)ccc2C)C1 ZINC000106212021 495432376 /nfs/dbraw/zinc/43/23/76/495432376.db2.gz AAGCQZHXARJGAF-MOPGFXCFSA-N 2 2 357.498 3.139 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@H](O)COc2cc(C)ccc2C)C1 ZINC000106212021 495432379 /nfs/dbraw/zinc/43/23/79/495432379.db2.gz AAGCQZHXARJGAF-MOPGFXCFSA-N 2 2 357.498 3.139 10 0 FGAELP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000106426128 495454507 /nfs/dbraw/zinc/45/45/07/495454507.db2.gz QPDHUMWRBKKFNC-PMACEKPBSA-N 2 2 369.509 3.096 10 0 FGAELP Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)o1 ZINC000182575543 495622165 /nfs/dbraw/zinc/62/21/65/495622165.db2.gz PCYLQDCLRLHEQF-INIZCTEOSA-N 2 2 373.522 3.426 10 0 FGAELP CSc1ccc(OCC[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1 ZINC000173683300 495647484 /nfs/dbraw/zinc/64/74/84/495647484.db2.gz JEBGPGJZOHSKIF-UHFFFAOYSA-N 2 2 374.554 3.080 10 0 FGAELP CSc1ccc(OCC[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1 ZINC000173683300 495647490 /nfs/dbraw/zinc/64/74/90/495647490.db2.gz JEBGPGJZOHSKIF-UHFFFAOYSA-N 2 2 374.554 3.080 10 0 FGAELP CCc1noc([C@@H](C)[NH+]2CCN(c3cc[nH+]c4ccc(C)cc43)CC2)n1 ZINC000185645742 495659919 /nfs/dbraw/zinc/65/99/19/495659919.db2.gz WYBVVCVZJFUAFU-OAHLLOKOSA-N 2 2 351.454 3.372 10 0 FGAELP c1ccc(CCc2noc(C[N@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)n2)cc1 ZINC000173779516 495689029 /nfs/dbraw/zinc/68/90/29/495689029.db2.gz DDSLLBGIGPWVCJ-SFHVURJKSA-N 2 2 363.465 3.184 10 0 FGAELP c1ccc(CCc2noc(C[N@@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)n2)cc1 ZINC000173779516 495689035 /nfs/dbraw/zinc/68/90/35/495689035.db2.gz DDSLLBGIGPWVCJ-SFHVURJKSA-N 2 2 363.465 3.184 10 0 FGAELP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH2+][C@H](C)c2cccs2)CC1 ZINC000171111989 495729495 /nfs/dbraw/zinc/72/94/95/495729495.db2.gz FTKNKKWQBAWGAO-QGZVFWFLSA-N 2 2 357.523 3.052 10 0 FGAELP C[NH+]1CCC([NH2+][C@@H](c2ccc(Br)cc2)c2cncnc2)CC1 ZINC000186089052 495850355 /nfs/dbraw/zinc/85/03/55/495850355.db2.gz SOPNUZNMLOJECF-KRWDZBQOSA-N 2 2 361.287 3.012 10 0 FGAELP CCc1nc2c(s1)[C@H]([NH2+]C[C@H](O)C[N@@H+]1CCc3ccccc3C1)CCC2 ZINC000151789308 495948178 /nfs/dbraw/zinc/94/81/78/495948178.db2.gz VAZMKIAWIVKHKF-ZWKOTPCHSA-N 2 2 371.550 3.092 10 0 FGAELP CCc1nc2c(s1)[C@H]([NH2+]C[C@H](O)C[N@H+]1CCc3ccccc3C1)CCC2 ZINC000151789308 495948183 /nfs/dbraw/zinc/94/81/83/495948183.db2.gz VAZMKIAWIVKHKF-ZWKOTPCHSA-N 2 2 371.550 3.092 10 0 FGAELP O=C(C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)N(Cc1ccccc1)C1CC1 ZINC000171640976 495961307 /nfs/dbraw/zinc/96/13/07/495961307.db2.gz IJIIXEKBKYFVIM-IBGZPJMESA-N 2 2 364.493 3.007 10 0 FGAELP O=C(C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)N(Cc1ccccc1)C1CC1 ZINC000171640976 495961311 /nfs/dbraw/zinc/96/13/11/495961311.db2.gz IJIIXEKBKYFVIM-IBGZPJMESA-N 2 2 364.493 3.007 10 0 FGAELP C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171646031 495967128 /nfs/dbraw/zinc/96/71/28/495967128.db2.gz QBTMDGDEULOFCI-GVDBMIGSSA-N 2 2 370.472 3.220 10 0 FGAELP C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171646031 495967131 /nfs/dbraw/zinc/96/71/31/495967131.db2.gz QBTMDGDEULOFCI-GVDBMIGSSA-N 2 2 370.472 3.220 10 0 FGAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2csc(C(C)C)n2)nc[nH+]1 ZINC000186398903 495982542 /nfs/dbraw/zinc/98/25/42/495982542.db2.gz CHHGWXMJBSVIBJ-KGLIPLIRSA-N 2 2 360.531 3.418 10 0 FGAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2ccc(F)cc2N(C)C)nc[nH+]1 ZINC000180571729 496049657 /nfs/dbraw/zinc/04/96/57/496049657.db2.gz VOWGYJKSGAQIBZ-GOEBONIOSA-N 2 2 372.492 3.043 10 0 FGAELP C[C@@H]([NH2+]CC(=O)Nc1cc(C(C)(C)C)no1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180649306 496085786 /nfs/dbraw/zinc/08/57/86/496085786.db2.gz WCBXISLCVBZROL-CQSZACIVSA-N 2 2 367.453 3.447 10 0 FGAELP Cc1ccccc1OC[C@@H](O)C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180651799 496087394 /nfs/dbraw/zinc/08/73/94/496087394.db2.gz SBIXABHRCWGICX-XLIONFOSSA-N 2 2 351.450 3.271 10 0 FGAELP C[C@H](C1CC1)N(C(=O)C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C1CC1 ZINC000180666214 496095792 /nfs/dbraw/zinc/09/57/92/496095792.db2.gz STLKXXCVYFFFLN-JKSUJKDBSA-N 2 2 352.482 3.312 10 0 FGAELP Cc1ccccc1CCNC(=O)C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180668375 496096385 /nfs/dbraw/zinc/09/63/85/496096385.db2.gz OBYPSAHJUMAEPG-SFHVURJKSA-N 2 2 362.477 3.190 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1C(F)(F)F ZINC000178311001 496408494 /nfs/dbraw/zinc/40/84/94/496408494.db2.gz JWWGASYMHKEFRB-CQSZACIVSA-N 2 2 366.387 3.313 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)Nc1ccccc1C(F)(F)F ZINC000178311001 496408502 /nfs/dbraw/zinc/40/85/02/496408502.db2.gz JWWGASYMHKEFRB-CQSZACIVSA-N 2 2 366.387 3.313 10 0 FGAELP CC(C)(C)C(=O)N1CCC(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CC1 ZINC000181712515 496513499 /nfs/dbraw/zinc/51/34/99/496513499.db2.gz STVOASCVLKWDRC-GOSISDBHSA-N 2 2 358.530 3.100 10 0 FGAELP CC(C)(C)C(=O)N1CCC(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CC1 ZINC000181712515 496513501 /nfs/dbraw/zinc/51/35/01/496513501.db2.gz STVOASCVLKWDRC-GOSISDBHSA-N 2 2 358.530 3.100 10 0 FGAELP Cc1[nH+]ccn1CCCCNC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173422634 496686227 /nfs/dbraw/zinc/68/62/27/496686227.db2.gz JDJMVVASJGLLEY-INIZCTEOSA-N 2 2 366.469 3.218 10 0 FGAELP C[C@@H](NC(=O)NCC[N@@H+]1CCCC[C@@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000247055281 496765288 /nfs/dbraw/zinc/76/52/88/496765288.db2.gz YRULHFXABSFUIE-DLBZAZTESA-N 2 2 355.486 3.107 10 0 FGAELP C[C@@H](NC(=O)NCC[N@H+]1CCCC[C@@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000247055281 496765290 /nfs/dbraw/zinc/76/52/90/496765290.db2.gz YRULHFXABSFUIE-DLBZAZTESA-N 2 2 355.486 3.107 10 0 FGAELP C[C@@H](NC(=O)NCC[N@@H+]1CCCC[C@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000247055299 496765594 /nfs/dbraw/zinc/76/55/94/496765594.db2.gz YRULHFXABSFUIE-IAGOWNOFSA-N 2 2 355.486 3.107 10 0 FGAELP C[C@@H](NC(=O)NCC[N@H+]1CCCC[C@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000247055299 496765595 /nfs/dbraw/zinc/76/55/95/496765595.db2.gz YRULHFXABSFUIE-IAGOWNOFSA-N 2 2 355.486 3.107 10 0 FGAELP Cc1cc(N2CCC[C@@H]([N@H+](C)CC(=O)OC(C)(C)C)CC2)nc(C2CC2)[nH+]1 ZINC000192269292 497057355 /nfs/dbraw/zinc/05/73/55/497057355.db2.gz UNZGGFSUWXKMAP-QGZVFWFLSA-N 2 2 374.529 3.295 10 0 FGAELP Cc1cc(N2CCC[C@@H]([N@@H+](C)CC(=O)OC(C)(C)C)CC2)nc(C2CC2)[nH+]1 ZINC000192269292 497057358 /nfs/dbraw/zinc/05/73/58/497057358.db2.gz UNZGGFSUWXKMAP-QGZVFWFLSA-N 2 2 374.529 3.295 10 0 FGAELP COC(=O)[C@@H](c1ccccc1C)[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000248626770 497062989 /nfs/dbraw/zinc/06/29/89/497062989.db2.gz PUFJVDHHPGHKMK-FXAWDEMLSA-N 2 2 353.466 3.347 10 0 FGAELP COC(=O)[C@@H](c1ccccc1C)[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000248626770 497062992 /nfs/dbraw/zinc/06/29/92/497062992.db2.gz PUFJVDHHPGHKMK-FXAWDEMLSA-N 2 2 353.466 3.347 10 0 FGAELP CCCn1cc[nH+]c1CCCN(C)c1cc(N2CCC[C@@H](C)C2)nc[nH+]1 ZINC000248650476 497072985 /nfs/dbraw/zinc/07/29/85/497072985.db2.gz AEXUJBOULWKZOX-QGZVFWFLSA-N 2 2 356.518 3.388 10 0 FGAELP CCCn1cc[nH+]c1CCCN(C)c1cc(N2CCC[C@@H](C)C2)[nH+]cn1 ZINC000248650476 497072987 /nfs/dbraw/zinc/07/29/87/497072987.db2.gz AEXUJBOULWKZOX-QGZVFWFLSA-N 2 2 356.518 3.388 10 0 FGAELP COc1cc(Br)c(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)cc1OC ZINC000231453880 497109367 /nfs/dbraw/zinc/10/93/67/497109367.db2.gz DMXXOAWZFMJIJZ-CYBMUJFWSA-N 2 2 357.292 3.040 10 0 FGAELP COc1cc(Br)c(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cc1OC ZINC000231453880 497109369 /nfs/dbraw/zinc/10/93/69/497109369.db2.gz DMXXOAWZFMJIJZ-CYBMUJFWSA-N 2 2 357.292 3.040 10 0 FGAELP C[C@H](C(=O)Nc1ccccc1Cl)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261603754 497417641 /nfs/dbraw/zinc/41/76/41/497417641.db2.gz AVRXMEDTZHMKSJ-OIISXLGYSA-N 2 2 357.885 3.341 10 0 FGAELP C[C@H](C(=O)Nc1ccccc1Cl)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261603754 497417644 /nfs/dbraw/zinc/41/76/44/497417644.db2.gz AVRXMEDTZHMKSJ-OIISXLGYSA-N 2 2 357.885 3.341 10 0 FGAELP Cn1cc[nH+]c1CN(Cc1ccsc1Cl)[C@@H]1CC12CC[NH2+]CC2 ZINC000261976596 497486767 /nfs/dbraw/zinc/48/67/67/497486767.db2.gz QWQKDURVBUXNSN-CQSZACIVSA-N 2 2 350.919 3.279 10 0 FGAELP CC(C)[C@@H](NC(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)c1ccccc1 ZINC000246086606 497616695 /nfs/dbraw/zinc/61/66/95/497616695.db2.gz FJFPHUUAQMPBCM-PGRDOPGGSA-N 2 2 366.509 3.329 10 0 FGAELP CC(C)[C@@H](NC(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)c1ccccc1 ZINC000246086606 497616702 /nfs/dbraw/zinc/61/67/02/497616702.db2.gz FJFPHUUAQMPBCM-PGRDOPGGSA-N 2 2 366.509 3.329 10 0 FGAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)[C@@H](C)c2ccc(OC)cc2)nc[nH+]1 ZINC000246575916 497779992 /nfs/dbraw/zinc/77/99/92/497779992.db2.gz YIMONZQVHHNHFG-SOLBZPMBSA-N 2 2 369.513 3.278 10 0 FGAELP C[N@H+](Cc1ccc(OCC2CC2)cc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000191338445 497784496 /nfs/dbraw/zinc/78/44/96/497784496.db2.gz NYDGWXDCVCMOHT-UHFFFAOYSA-N 2 2 368.525 3.268 10 0 FGAELP C[N@@H+](Cc1ccc(OCC2CC2)cc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000191338445 497784502 /nfs/dbraw/zinc/78/45/02/497784502.db2.gz NYDGWXDCVCMOHT-UHFFFAOYSA-N 2 2 368.525 3.268 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@H+]([C@H](C)c3nc(-c4cccnc4)no3)C2)[nH+]1 ZINC000246684288 497799969 /nfs/dbraw/zinc/79/99/69/497799969.db2.gz HFOSOKXGGRFTLY-CVEARBPZSA-N 2 2 364.453 3.330 10 0 FGAELP CC(=O)Nc1ccc(CC[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000088701645 519716020 /nfs/dbraw/zinc/71/60/20/519716020.db2.gz NEZSVIVYABPKAG-JTSKRJEESA-N 2 2 351.494 3.298 10 0 FGAELP CC(=O)Nc1ccc(CC[NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000088701645 519716022 /nfs/dbraw/zinc/71/60/22/519716022.db2.gz NEZSVIVYABPKAG-JTSKRJEESA-N 2 2 351.494 3.298 10 0 FGAELP CCOc1c(OC)cc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1OC ZINC000092812869 494757475 /nfs/dbraw/zinc/75/74/75/494757475.db2.gz PKAIYKTTWOEUTK-MRXNPFEDSA-N 2 2 371.481 3.432 10 0 FGAELP CCOc1c(OC)cc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1OC ZINC000092812869 494757481 /nfs/dbraw/zinc/75/74/81/494757481.db2.gz PKAIYKTTWOEUTK-MRXNPFEDSA-N 2 2 371.481 3.432 10 0 FGAELP COc1ccc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c(OC)c1OC ZINC000092812541 494757891 /nfs/dbraw/zinc/75/78/91/494757891.db2.gz JJXSHCVAZZDUBH-HNNXBMFYSA-N 2 2 357.454 3.041 10 0 FGAELP COc1ccc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c(OC)c1OC ZINC000092812541 494757896 /nfs/dbraw/zinc/75/78/96/494757896.db2.gz JJXSHCVAZZDUBH-HNNXBMFYSA-N 2 2 357.454 3.041 10 0 FGAELP COc1c(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c(C)nn1C ZINC000093318349 494868606 /nfs/dbraw/zinc/86/86/06/494868606.db2.gz XQIOPMLEVSYPHC-APWZRJJASA-N 2 2 356.514 3.222 10 0 FGAELP COc1c(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c(C)nn1C ZINC000093318349 494868611 /nfs/dbraw/zinc/86/86/11/494868611.db2.gz XQIOPMLEVSYPHC-APWZRJJASA-N 2 2 356.514 3.222 10 0 FGAELP COc1c(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c(C)nn1C ZINC000093318349 494868619 /nfs/dbraw/zinc/86/86/19/494868619.db2.gz XQIOPMLEVSYPHC-APWZRJJASA-N 2 2 356.514 3.222 10 0 FGAELP COc1c(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c(C)nn1C ZINC000093318349 494868624 /nfs/dbraw/zinc/86/86/24/494868624.db2.gz XQIOPMLEVSYPHC-APWZRJJASA-N 2 2 356.514 3.222 10 0 FGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)C1 ZINC000132991741 494953947 /nfs/dbraw/zinc/95/39/47/494953947.db2.gz HNMCPTXEWJNEFT-YJBOKZPZSA-N 2 2 351.922 3.151 10 0 FGAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)C1 ZINC000132991741 494953951 /nfs/dbraw/zinc/95/39/51/494953951.db2.gz HNMCPTXEWJNEFT-YJBOKZPZSA-N 2 2 351.922 3.151 10 0 FGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000132996981 494954798 /nfs/dbraw/zinc/95/47/98/494954798.db2.gz FMBSNDLSKPXOGS-BBRMVZONSA-N 2 2 368.319 3.240 10 0 FGAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000132996981 494954801 /nfs/dbraw/zinc/95/48/01/494954801.db2.gz FMBSNDLSKPXOGS-BBRMVZONSA-N 2 2 368.319 3.240 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCCOc2ccc3c(c2)OCO3)C1 ZINC000106212492 495432875 /nfs/dbraw/zinc/43/28/75/495432875.db2.gz OOYWJJGILBEEBY-MRXNPFEDSA-N 2 2 357.454 3.280 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCCOc2ccc3c(c2)OCO3)C1 ZINC000106212492 495432881 /nfs/dbraw/zinc/43/28/81/495432881.db2.gz OOYWJJGILBEEBY-MRXNPFEDSA-N 2 2 357.454 3.280 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)C1 ZINC000106214748 495433312 /nfs/dbraw/zinc/43/33/12/495433312.db2.gz PFUHMZOYNYLHQD-HNAYVOBHSA-N 2 2 368.481 3.312 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)C1 ZINC000106214748 495433314 /nfs/dbraw/zinc/43/33/14/495433314.db2.gz PFUHMZOYNYLHQD-HNAYVOBHSA-N 2 2 368.481 3.312 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C(C)=O)C1 ZINC000106215346 495434882 /nfs/dbraw/zinc/43/48/82/495434882.db2.gz VHAIYYSSBQCGOA-RDJZCZTQSA-N 2 2 368.481 3.312 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C(C)=O)C1 ZINC000106215346 495434883 /nfs/dbraw/zinc/43/48/83/495434883.db2.gz VHAIYYSSBQCGOA-RDJZCZTQSA-N 2 2 368.481 3.312 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NCc2ccc(C)cc2)C1 ZINC000106215338 495435669 /nfs/dbraw/zinc/43/56/69/495435669.db2.gz JNWYTLXEFAQMMS-HKUYNNGSSA-N 2 2 354.498 3.096 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)NCc2ccc(C)cc2)C1 ZINC000106215338 495435673 /nfs/dbraw/zinc/43/56/73/495435673.db2.gz JNWYTLXEFAQMMS-HKUYNNGSSA-N 2 2 354.498 3.096 10 0 FGAELP C[C@H]([NH3+])c1ccc(C[NH+]2CCN(C(=O)OCc3ccccc3)CC2)cc1 ZINC000142066671 495513777 /nfs/dbraw/zinc/51/37/77/495513777.db2.gz RXMRCMRYQXEJLO-KRWDZBQOSA-N 2 2 353.466 3.161 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3nc([C@@H](C)OCC(C)C)no3)C2)[nH+]1 ZINC000173897400 495737370 /nfs/dbraw/zinc/73/73/70/495737370.db2.gz RTKSSXPVQMLPER-SJORKVTESA-N 2 2 373.501 3.441 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3nc([C@@H](C)OCC(C)C)no3)C2)[nH+]1 ZINC000173897400 495737374 /nfs/dbraw/zinc/73/73/74/495737374.db2.gz RTKSSXPVQMLPER-SJORKVTESA-N 2 2 373.501 3.441 10 0 FGAELP C[C@@H](NC(=O)[C@H](Cc1ccccc1)[NH+](C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173920991 495747632 /nfs/dbraw/zinc/74/76/32/495747632.db2.gz NOJCBUOQVCNIDU-UTKZUKDTSA-N 2 2 362.477 3.222 10 0 FGAELP CCOc1c(OC)cc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1OC ZINC000180131539 495871550 /nfs/dbraw/zinc/87/15/50/495871550.db2.gz KXCFTMUISTUASW-QGZVFWFLSA-N 2 2 359.470 3.272 10 0 FGAELP CCOc1c(OC)cc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1OC ZINC000180131539 495871556 /nfs/dbraw/zinc/87/15/56/495871556.db2.gz KXCFTMUISTUASW-QGZVFWFLSA-N 2 2 359.470 3.272 10 0 FGAELP CC(C)c1ccc([C@H]2C[C@@H]2C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000177135054 495941299 /nfs/dbraw/zinc/94/12/99/495941299.db2.gz WYFOXRGTIODVBQ-RTWAWAEBSA-N 2 2 357.542 3.056 10 0 FGAELP CCC[C@H](NC(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)c1ccccc1 ZINC000171645714 495964760 /nfs/dbraw/zinc/96/47/60/495964760.db2.gz AINIZPIBSCJGNJ-QUCCMNQESA-N 2 2 366.509 3.473 10 0 FGAELP CCC[C@H](NC(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)c1ccccc1 ZINC000171645714 495964761 /nfs/dbraw/zinc/96/47/61/495964761.db2.gz AINIZPIBSCJGNJ-QUCCMNQESA-N 2 2 366.509 3.473 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3cccnc3Cl)C2)[nH+]1 ZINC000171650895 495970182 /nfs/dbraw/zinc/97/01/82/495970182.db2.gz NVPHVCDDEPJSDM-GJZGRUSLSA-N 2 2 373.888 3.199 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@H+]([C@@H](C)C(=O)Nc3cccnc3Cl)C2)[nH+]1 ZINC000171650895 495970187 /nfs/dbraw/zinc/97/01/87/495970187.db2.gz NVPHVCDDEPJSDM-GJZGRUSLSA-N 2 2 373.888 3.199 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)Nc3ccc(C)c(C)c3)C2)[nH+]1 ZINC000171653442 495973747 /nfs/dbraw/zinc/97/37/47/495973747.db2.gz GHVMDNMIMFIKJN-SFHVURJKSA-N 2 2 352.482 3.379 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)Nc3ccc(C)c(C)c3)C2)[nH+]1 ZINC000171653442 495973756 /nfs/dbraw/zinc/97/37/56/495973756.db2.gz GHVMDNMIMFIKJN-SFHVURJKSA-N 2 2 352.482 3.379 10 0 FGAELP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000177391688 496044246 /nfs/dbraw/zinc/04/42/46/496044246.db2.gz DBHABIDOLSLLJV-IBGZPJMESA-N 2 2 373.545 3.088 10 0 FGAELP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000177391688 496044253 /nfs/dbraw/zinc/04/42/53/496044253.db2.gz DBHABIDOLSLLJV-IBGZPJMESA-N 2 2 373.545 3.088 10 0 FGAELP CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCCN2c2cc(NC)[nH+]cn2)cc1 ZINC000180570355 496048251 /nfs/dbraw/zinc/04/82/51/496048251.db2.gz JOFGNBVEAMNVOS-RDJZCZTQSA-N 2 2 355.486 3.237 10 0 FGAELP CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCN2c2cc(NC)[nH+]cn2)cc1 ZINC000180570337 496048444 /nfs/dbraw/zinc/04/84/44/496048444.db2.gz JOFGNBVEAMNVOS-WBVHZDCISA-N 2 2 355.486 3.237 10 0 FGAELP Cc1csc2nc(C[NH2+][C@H](C)c3cccc(-n4cc[nH+]c4)c3)cc(=O)n12 ZINC000180667063 496095270 /nfs/dbraw/zinc/09/52/70/496095270.db2.gz AQRUEFKPPDFRSU-CQSZACIVSA-N 2 2 365.462 3.101 10 0 FGAELP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)C12CCOCC2 ZINC000186876977 496192126 /nfs/dbraw/zinc/19/21/26/496192126.db2.gz PIYGTQHZHXXUSZ-BHDDXSALSA-N 2 2 372.553 3.461 10 0 FGAELP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)C12CCOCC2 ZINC000186876977 496192131 /nfs/dbraw/zinc/19/21/31/496192131.db2.gz PIYGTQHZHXXUSZ-BHDDXSALSA-N 2 2 372.553 3.461 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccc3c(c2)CCC(=O)N3C)C1 ZINC000186949518 496224593 /nfs/dbraw/zinc/22/45/93/496224593.db2.gz AYBCPSAFEKEBCG-SFHVURJKSA-N 2 2 352.482 3.192 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccc3c(c2)CCC(=O)N3C)C1 ZINC000186949518 496224597 /nfs/dbraw/zinc/22/45/97/496224597.db2.gz AYBCPSAFEKEBCG-SFHVURJKSA-N 2 2 352.482 3.192 10 0 FGAELP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1cc(Br)ccc1F ZINC000178519138 496484787 /nfs/dbraw/zinc/48/47/87/496484787.db2.gz WDQYQGLYWOMGRR-OCCSQVGLSA-N 2 2 359.283 3.086 10 0 FGAELP C[C@@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1cccs1 ZINC000173421638 496686764 /nfs/dbraw/zinc/68/67/64/496686764.db2.gz FGYSTJZPHOBPIC-MRXNPFEDSA-N 2 2 364.559 3.059 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)c2cn(-c3ccccc3)nn2)C1 ZINC000247288320 496825637 /nfs/dbraw/zinc/82/56/37/496825637.db2.gz HHVSPRGGZVEMOU-SJLPKXTDSA-N 2 2 350.470 3.424 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)c2cn(-c3ccccc3)nn2)C1 ZINC000247288320 496825640 /nfs/dbraw/zinc/82/56/40/496825640.db2.gz HHVSPRGGZVEMOU-SJLPKXTDSA-N 2 2 350.470 3.424 10 0 FGAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](CCC[NH+]2CCCCC2)C1 ZINC000195254385 496863538 /nfs/dbraw/zinc/86/35/38/496863538.db2.gz ZBRXLQLPLARSPD-GOSISDBHSA-N 3 2 350.576 3.081 10 0 FGAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](CCC[NH+]2CCCCC2)C1 ZINC000195254385 496863544 /nfs/dbraw/zinc/86/35/44/496863544.db2.gz ZBRXLQLPLARSPD-GOSISDBHSA-N 3 2 350.576 3.081 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000195254385 496863550 /nfs/dbraw/zinc/86/35/50/496863550.db2.gz ZBRXLQLPLARSPD-GOSISDBHSA-N 3 2 350.576 3.081 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000195254385 496863553 /nfs/dbraw/zinc/86/35/53/496863553.db2.gz ZBRXLQLPLARSPD-GOSISDBHSA-N 3 2 350.576 3.081 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NC[C@H](C)c2ccccc2)C1 ZINC000247818306 496919344 /nfs/dbraw/zinc/91/93/44/496919344.db2.gz WRFSVQZUTWXVQU-CMKODMSKSA-N 2 2 368.525 3.391 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NC[C@H](C)c2ccccc2)C1 ZINC000247818306 496919347 /nfs/dbraw/zinc/91/93/47/496919347.db2.gz WRFSVQZUTWXVQU-CMKODMSKSA-N 2 2 368.525 3.391 10 0 FGAELP [NH3+][C@@H]1CC[C@H]2CN(C(=O)Cn3c4ccccc4[nH+]c3C3CCCCC3)C[C@H]12 ZINC000248649527 497071516 /nfs/dbraw/zinc/07/15/16/497071516.db2.gz ULKPBPNQKFRWPX-OKZBNKHCSA-N 2 2 366.509 3.280 10 0 FGAELP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000261922376 497475770 /nfs/dbraw/zinc/47/57/70/497475770.db2.gz BUWSOWGFUISLFG-DIFFPNOSSA-N 2 2 363.303 3.031 10 0 FGAELP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000261922376 497475775 /nfs/dbraw/zinc/47/57/75/497475775.db2.gz BUWSOWGFUISLFG-DIFFPNOSSA-N 2 2 363.303 3.031 10 0 FGAELP C[C@H](C(=O)Nc1cc(F)ccc1F)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246079713 497614519 /nfs/dbraw/zinc/61/45/19/497614519.db2.gz DEIRHNRCYKGVRE-KGLIPLIRSA-N 2 2 360.408 3.121 10 0 FGAELP C[C@H](C(=O)Nc1cc(F)ccc1F)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246079713 497614521 /nfs/dbraw/zinc/61/45/21/497614521.db2.gz DEIRHNRCYKGVRE-KGLIPLIRSA-N 2 2 360.408 3.121 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)N3c4ccccc4C[C@H]3C)C2)[nH+]1 ZINC000246120591 497629116 /nfs/dbraw/zinc/62/91/16/497629116.db2.gz KZSRYHUHWHPONJ-QZTJIDSGSA-N 2 2 364.493 3.102 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)N3c4ccccc4C[C@H]3C)C2)[nH+]1 ZINC000246120591 497629117 /nfs/dbraw/zinc/62/91/17/497629117.db2.gz KZSRYHUHWHPONJ-QZTJIDSGSA-N 2 2 364.493 3.102 10 0 FGAELP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1 ZINC000246123137 497629986 /nfs/dbraw/zinc/62/99/86/497629986.db2.gz VSCBCIYCHLWTHA-UZLBHIALSA-N 2 2 367.497 3.121 10 0 FGAELP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CC[N@H+]3CCCC[C@H]3C2)cc1 ZINC000246123137 497629988 /nfs/dbraw/zinc/62/99/88/497629988.db2.gz VSCBCIYCHLWTHA-UZLBHIALSA-N 2 2 367.497 3.121 10 0 FGAELP CCOc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246176634 497648637 /nfs/dbraw/zinc/64/86/37/497648637.db2.gz UDDBLSIEXPYEOD-SJORKVTESA-N 2 2 368.481 3.241 10 0 FGAELP CCOc1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246176634 497648638 /nfs/dbraw/zinc/64/86/38/497648638.db2.gz UDDBLSIEXPYEOD-SJORKVTESA-N 2 2 368.481 3.241 10 0 FGAELP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c(C)c1 ZINC000246194738 497654961 /nfs/dbraw/zinc/65/49/61/497654961.db2.gz WUFTWGKQUKCVRB-MSOLQXFVSA-N 2 2 352.482 3.459 10 0 FGAELP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c(C)c1 ZINC000246194738 497654964 /nfs/dbraw/zinc/65/49/64/497654964.db2.gz WUFTWGKQUKCVRB-MSOLQXFVSA-N 2 2 352.482 3.459 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H]2CCN(c3c(F)cccc3F)C2=O)C1 ZINC000246222216 497666558 /nfs/dbraw/zinc/66/65/58/497666558.db2.gz LNFNNAFOVQMHFT-YOEHRIQHSA-N 2 2 374.435 3.166 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H]2CCN(c3c(F)cccc3F)C2=O)C1 ZINC000246222216 497666561 /nfs/dbraw/zinc/66/65/61/497666561.db2.gz LNFNNAFOVQMHFT-YOEHRIQHSA-N 2 2 374.435 3.166 10 0 FGAELP COCCN(C)c1ccc(C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)cn1 ZINC000191240462 497753960 /nfs/dbraw/zinc/75/39/60/497753960.db2.gz MAOCRIOOFBDQMD-QGZVFWFLSA-N 2 2 365.481 3.201 10 0 FGAELP CCn1nc(C)c([C@@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1C ZINC000390893315 499556269 /nfs/dbraw/zinc/55/62/69/499556269.db2.gz BLIWTUDAHMKVFR-DYESRHJHSA-N 2 2 370.541 3.462 10 0 FGAELP CCn1nc(C)c([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1C ZINC000390893315 499556271 /nfs/dbraw/zinc/55/62/71/499556271.db2.gz BLIWTUDAHMKVFR-DYESRHJHSA-N 2 2 370.541 3.462 10 0 FGAELP C[C@H](C[NH+]1CCCC1)[NH2+][C@@H](C)c1ccc(I)cc1 ZINC000042598199 205096840 /nfs/dbraw/zinc/09/68/40/205096840.db2.gz IAXIVKVMXQAVOI-OLZOCXBDSA-N 2 2 358.267 3.426 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000127357690 494933135 /nfs/dbraw/zinc/93/31/35/494933135.db2.gz JEDLXWSOHZIDSM-CTNGQTDRSA-N 2 2 355.482 3.414 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000127357690 494933138 /nfs/dbraw/zinc/93/31/38/494933138.db2.gz JEDLXWSOHZIDSM-CTNGQTDRSA-N 2 2 355.482 3.414 10 0 FGAELP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)c1cccc(C[NH+]3CCCC3)c1)C2 ZINC000112670595 495220758 /nfs/dbraw/zinc/22/07/58/495220758.db2.gz JRXSFNWFSWDWKB-UHFFFAOYSA-N 2 2 366.509 3.338 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3nnc(-c4ccccc4)n3C)C2)[nH+]1 ZINC000103473865 495238522 /nfs/dbraw/zinc/23/85/22/495238522.db2.gz KZKJELQGZJDORK-KRWDZBQOSA-N 2 2 362.481 3.120 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3nnc(-c4ccccc4)n3C)C2)[nH+]1 ZINC000103473865 495238525 /nfs/dbraw/zinc/23/85/25/495238525.db2.gz KZKJELQGZJDORK-KRWDZBQOSA-N 2 2 362.481 3.120 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)N2c3ccccc3C[C@@H]2C)C1 ZINC000106216693 495434705 /nfs/dbraw/zinc/43/47/05/495434705.db2.gz MQYUYSWRHGQJGL-WMZOPIPTSA-N 2 2 352.482 3.060 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)N2c3ccccc3C[C@@H]2C)C1 ZINC000106216693 495434710 /nfs/dbraw/zinc/43/47/10/495434710.db2.gz MQYUYSWRHGQJGL-WMZOPIPTSA-N 2 2 352.482 3.060 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(Cl)cc2)C1 ZINC000106216789 495435060 /nfs/dbraw/zinc/43/50/60/495435060.db2.gz UXHWQOHYJXGXHE-QGZVFWFLSA-N 2 2 360.889 3.052 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(Cl)cc2)C1 ZINC000106216789 495435061 /nfs/dbraw/zinc/43/50/61/495435061.db2.gz UXHWQOHYJXGXHE-QGZVFWFLSA-N 2 2 360.889 3.052 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NCCC2=CCCCC2)C1 ZINC000106215599 495435597 /nfs/dbraw/zinc/43/55/97/495435597.db2.gz RWPPKSJOPIPHIY-HKUYNNGSSA-N 2 2 358.530 3.478 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)NCCC2=CCCCC2)C1 ZINC000106215599 495435601 /nfs/dbraw/zinc/43/56/01/495435601.db2.gz RWPPKSJOPIPHIY-HKUYNNGSSA-N 2 2 358.530 3.478 10 0 FGAELP O[C@@H](C[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21)C[NH+]1CCCCC1 ZINC000151348544 495811834 /nfs/dbraw/zinc/81/18/34/495811834.db2.gz TVLPYKRPYBKJFY-WMLDXEAASA-N 2 2 358.404 3.009 10 0 FGAELP C[C@@H](NC(=O)NCCCNc1cccc[nH+]1)c1cccc(-n2cc[nH+]c2)c1 ZINC000176885084 495826263 /nfs/dbraw/zinc/82/62/63/495826263.db2.gz DRYTYEORFWPHDJ-MRXNPFEDSA-N 2 2 364.453 3.130 10 0 FGAELP CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)C12CCOCC2 ZINC000186206050 495895618 /nfs/dbraw/zinc/89/56/18/495895618.db2.gz OFTBIFLAOQRAQG-PWIZWCRZSA-N 2 2 355.482 3.497 10 0 FGAELP Fc1ccc(-c2noc(C[N@@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)n2)cc1 ZINC000171645694 495964021 /nfs/dbraw/zinc/96/40/21/495964021.db2.gz JCAKVLFWDKEFAI-AWEZNQCLSA-N 2 2 353.401 3.205 10 0 FGAELP Fc1ccc(-c2noc(C[N@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)n2)cc1 ZINC000171645694 495964024 /nfs/dbraw/zinc/96/40/24/495964024.db2.gz JCAKVLFWDKEFAI-AWEZNQCLSA-N 2 2 353.401 3.205 10 0 FGAELP Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171647339 495966566 /nfs/dbraw/zinc/96/65/66/495966566.db2.gz NRMYWCUBFUEALO-OAHLLOKOSA-N 2 2 358.873 3.416 10 0 FGAELP Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171647339 495966571 /nfs/dbraw/zinc/96/65/71/495966571.db2.gz NRMYWCUBFUEALO-OAHLLOKOSA-N 2 2 358.873 3.416 10 0 FGAELP C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171646598 495966591 /nfs/dbraw/zinc/96/65/91/495966591.db2.gz BPXDWMFXLGNMFF-KZNAEPCWSA-N 2 2 364.493 3.182 10 0 FGAELP C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171646598 495966595 /nfs/dbraw/zinc/96/65/95/495966595.db2.gz BPXDWMFXLGNMFF-KZNAEPCWSA-N 2 2 364.493 3.182 10 0 FGAELP CCc1nc(NC(=O)C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)sc1C ZINC000171649254 495967795 /nfs/dbraw/zinc/96/77/95/495967795.db2.gz QIQCBDIXKYJZIY-OAHLLOKOSA-N 2 2 373.526 3.090 10 0 FGAELP CCc1nc(NC(=O)C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)sc1C ZINC000171649254 495967800 /nfs/dbraw/zinc/96/78/00/495967800.db2.gz QIQCBDIXKYJZIY-OAHLLOKOSA-N 2 2 373.526 3.090 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3nc(-c4cccs4)no3)C2)[nH+]1 ZINC000171649582 495968756 /nfs/dbraw/zinc/96/87/56/495968756.db2.gz FRRSVXAIIVQKCB-AWEZNQCLSA-N 2 2 355.467 3.436 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3nc(-c4cccs4)no3)C2)[nH+]1 ZINC000171649582 495968763 /nfs/dbraw/zinc/96/87/63/495968763.db2.gz FRRSVXAIIVQKCB-AWEZNQCLSA-N 2 2 355.467 3.436 10 0 FGAELP CCc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000171652231 495972021 /nfs/dbraw/zinc/97/20/21/495972021.db2.gz HLYUXQXRNYAHEV-KRWDZBQOSA-N 2 2 352.482 3.325 10 0 FGAELP CCc1ccccc1NC(=O)C[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000171652231 495972024 /nfs/dbraw/zinc/97/20/24/495972024.db2.gz HLYUXQXRNYAHEV-KRWDZBQOSA-N 2 2 352.482 3.325 10 0 FGAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2cnc3ccsc3c2)nc[nH+]1 ZINC000180569047 496048340 /nfs/dbraw/zinc/04/83/40/496048340.db2.gz VPCHZGFJFUSXJQ-DZGCQCFKSA-N 2 2 368.510 3.448 10 0 FGAELP C[C@H]([NH2+]CC(=O)Nc1ccc(F)cc1F)c1cccc(-n2cc[nH+]c2)c1 ZINC000180650441 496086572 /nfs/dbraw/zinc/08/65/72/496086572.db2.gz XEDRFSMAXFFSRF-ZDUSSCGKSA-N 2 2 356.376 3.440 10 0 FGAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2cnn(C(C)(C)C)c2C)nc[nH+]1 ZINC000191357127 496736216 /nfs/dbraw/zinc/73/62/16/496736216.db2.gz XADYUKQPXUFQAV-GDBMZVCRSA-N 2 2 371.533 3.098 10 0 FGAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2cnn(C(C)(C)C)c2C)nc[nH+]1 ZINC000191357112 496737057 /nfs/dbraw/zinc/73/70/57/496737057.db2.gz XADYUKQPXUFQAV-HOCLYGCPSA-N 2 2 371.533 3.098 10 0 FGAELP C[C@H](CNC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000247389045 496849406 /nfs/dbraw/zinc/84/94/06/496849406.db2.gz GIWAHUKCRRTATC-KZNAEPCWSA-N 2 2 369.513 3.353 10 0 FGAELP C[C@H](CNC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000247389045 496849412 /nfs/dbraw/zinc/84/94/12/496849412.db2.gz GIWAHUKCRRTATC-KZNAEPCWSA-N 2 2 369.513 3.353 10 0 FGAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](CCOc2ccc(F)cc2)C1 ZINC000195259288 496865042 /nfs/dbraw/zinc/86/50/42/496865042.db2.gz ACAVXQZCAMRUTA-INIZCTEOSA-N 2 2 363.502 3.423 10 0 FGAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](CCOc2ccc(F)cc2)C1 ZINC000195259288 496865045 /nfs/dbraw/zinc/86/50/45/496865045.db2.gz ACAVXQZCAMRUTA-INIZCTEOSA-N 2 2 363.502 3.423 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](CCOc2ccc(F)cc2)C1 ZINC000195259288 496865046 /nfs/dbraw/zinc/86/50/46/496865046.db2.gz ACAVXQZCAMRUTA-INIZCTEOSA-N 2 2 363.502 3.423 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](CCOc2ccc(F)cc2)C1 ZINC000195259288 496865049 /nfs/dbraw/zinc/86/50/49/496865049.db2.gz ACAVXQZCAMRUTA-INIZCTEOSA-N 2 2 363.502 3.423 10 0 FGAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](CCOc2cccc(F)c2)C1 ZINC000195261908 496866656 /nfs/dbraw/zinc/86/66/56/496866656.db2.gz DEQLVGDCASAGLF-MRXNPFEDSA-N 2 2 363.502 3.423 10 0 FGAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](CCOc2cccc(F)c2)C1 ZINC000195261908 496866661 /nfs/dbraw/zinc/86/66/61/496866661.db2.gz DEQLVGDCASAGLF-MRXNPFEDSA-N 2 2 363.502 3.423 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](CCOc2cccc(F)c2)C1 ZINC000195261908 496866664 /nfs/dbraw/zinc/86/66/64/496866664.db2.gz DEQLVGDCASAGLF-MRXNPFEDSA-N 2 2 363.502 3.423 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](CCOc2cccc(F)c2)C1 ZINC000195261908 496866669 /nfs/dbraw/zinc/86/66/69/496866669.db2.gz DEQLVGDCASAGLF-MRXNPFEDSA-N 2 2 363.502 3.423 10 0 FGAELP CC[NH+](CC)CCCN1CC[NH+](Cc2nc(-c3ccccc3)co2)CC1 ZINC000191785612 496888803 /nfs/dbraw/zinc/88/88/03/496888803.db2.gz JGENONVBJFUALY-UHFFFAOYSA-N 2 2 356.514 3.191 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)C1 ZINC000247587315 496893606 /nfs/dbraw/zinc/89/36/06/496893606.db2.gz JDTUIIUMZMVQTE-GPMSIDNRSA-N 2 2 372.488 3.487 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)C1 ZINC000247587315 496893608 /nfs/dbraw/zinc/89/36/08/496893608.db2.gz JDTUIIUMZMVQTE-GPMSIDNRSA-N 2 2 372.488 3.487 10 0 FGAELP O[C@H](C[NH2+]Cc1ccc(Br)c(Cl)c1)C[NH+]1CCCCC1 ZINC000192166487 497021005 /nfs/dbraw/zinc/02/10/05/497021005.db2.gz ZTERSLIEBXKFEO-CYBMUJFWSA-N 2 2 361.711 3.039 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@H](C)c3ccc(S(C)(=O)=O)cc3)C2)[nH+]1 ZINC000248885928 497126304 /nfs/dbraw/zinc/12/63/04/497126304.db2.gz DZVMKLXAHYFKFO-SJORKVTESA-N 2 2 373.522 3.289 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@H+]([C@H](C)c3ccc(S(C)(=O)=O)cc3)C2)[nH+]1 ZINC000248885928 497126308 /nfs/dbraw/zinc/12/63/08/497126308.db2.gz DZVMKLXAHYFKFO-SJORKVTESA-N 2 2 373.522 3.289 10 0 FGAELP CSc1ccccc1NC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261638302 497425258 /nfs/dbraw/zinc/42/52/58/497425258.db2.gz FMXAGZLDNHHDSA-JQHSSLGASA-N 2 2 369.534 3.410 10 0 FGAELP CSc1ccccc1NC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261638302 497425262 /nfs/dbraw/zinc/42/52/62/497425262.db2.gz FMXAGZLDNHHDSA-JQHSSLGASA-N 2 2 369.534 3.410 10 0 FGAELP C[C@@H]1CCC[C@H]([N@H+](Cc2noc(C[NH3+])n2)Cc2ccc3c(c2)OCO3)[C@H]1C ZINC000261645348 497426240 /nfs/dbraw/zinc/42/62/40/497426240.db2.gz FXPDJTGZVQMGRB-YCPHGPKFSA-N 2 2 372.469 3.084 10 0 FGAELP C[C@@H]1CCC[C@H]([N@@H+](Cc2noc(C[NH3+])n2)Cc2ccc3c(c2)OCO3)[C@H]1C ZINC000261645348 497426246 /nfs/dbraw/zinc/42/62/46/497426246.db2.gz FXPDJTGZVQMGRB-YCPHGPKFSA-N 2 2 372.469 3.084 10 0 FGAELP c1csc(C[N@H+](Cc2cccc3c2OCO3)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000261802545 497454406 /nfs/dbraw/zinc/45/44/06/497454406.db2.gz VZGXUGAJINMUAC-MRXNPFEDSA-N 2 2 357.479 3.016 10 0 FGAELP c1csc(C[N@@H+](Cc2cccc3c2OCO3)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000261802545 497454411 /nfs/dbraw/zinc/45/44/11/497454411.db2.gz VZGXUGAJINMUAC-MRXNPFEDSA-N 2 2 357.479 3.016 10 0 FGAELP COC(=O)c1cccc(C[N@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000261937049 497479946 /nfs/dbraw/zinc/47/99/46/497479946.db2.gz MHDMMJIHJUXHSF-QGZVFWFLSA-N 2 2 371.506 3.074 10 0 FGAELP COC(=O)c1cccc(C[N@@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000261937049 497479947 /nfs/dbraw/zinc/47/99/47/497479947.db2.gz MHDMMJIHJUXHSF-QGZVFWFLSA-N 2 2 371.506 3.074 10 0 FGAELP CC(=O)Nc1ccccc1C[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000190458458 497486100 /nfs/dbraw/zinc/48/61/00/497486100.db2.gz GRTXTMOJOPFYIH-KRWDZBQOSA-N 2 2 372.538 3.364 10 0 FGAELP CC(=O)Nc1ccccc1C[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000190458458 497486105 /nfs/dbraw/zinc/48/61/05/497486105.db2.gz GRTXTMOJOPFYIH-KRWDZBQOSA-N 2 2 372.538 3.364 10 0 FGAELP CC(=O)Nc1ccccc1C[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000190458458 497486111 /nfs/dbraw/zinc/48/61/11/497486111.db2.gz GRTXTMOJOPFYIH-KRWDZBQOSA-N 2 2 372.538 3.364 10 0 FGAELP Cn1cc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)c(C(C)(C)C)n1 ZINC000190472935 497494375 /nfs/dbraw/zinc/49/43/75/497494375.db2.gz WUHWSIZCCQCVCJ-SFHVURJKSA-N 2 2 355.530 3.067 10 0 FGAELP Cn1cc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)c(C(C)(C)C)n1 ZINC000190472935 497494377 /nfs/dbraw/zinc/49/43/77/497494377.db2.gz WUHWSIZCCQCVCJ-SFHVURJKSA-N 2 2 355.530 3.067 10 0 FGAELP Cn1cc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)c(C(C)(C)C)n1 ZINC000190472935 497494383 /nfs/dbraw/zinc/49/43/83/497494383.db2.gz WUHWSIZCCQCVCJ-SFHVURJKSA-N 2 2 355.530 3.067 10 0 FGAELP Cn1cc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)c(C(C)(C)C)n1 ZINC000190472935 497494388 /nfs/dbraw/zinc/49/43/88/497494388.db2.gz WUHWSIZCCQCVCJ-SFHVURJKSA-N 2 2 355.530 3.067 10 0 FGAELP [NH3+][C@H]1CC[C@@H](C(=O)Nc2ccc3[nH]c(Cc4ccccc4F)[nH+]c3c2)C1 ZINC000262643208 497590094 /nfs/dbraw/zinc/59/00/94/497590094.db2.gz JJSWKXBQDOSOLP-KGLIPLIRSA-N 2 2 352.413 3.359 10 0 FGAELP CCC[C@@H](NC(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)c1ccccc1 ZINC000246061131 497608214 /nfs/dbraw/zinc/60/82/14/497608214.db2.gz AINIZPIBSCJGNJ-AZUAARDMSA-N 2 2 366.509 3.473 10 0 FGAELP CCC[C@@H](NC(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)c1ccccc1 ZINC000246061131 497608215 /nfs/dbraw/zinc/60/82/15/497608215.db2.gz AINIZPIBSCJGNJ-AZUAARDMSA-N 2 2 366.509 3.473 10 0 FGAELP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1 ZINC000246123123 497630192 /nfs/dbraw/zinc/63/01/92/497630192.db2.gz VSCBCIYCHLWTHA-JXFKEZNVSA-N 2 2 367.497 3.121 10 0 FGAELP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CC[N@H+]3CCCC[C@H]3C2)cc1 ZINC000246123123 497630197 /nfs/dbraw/zinc/63/01/97/497630197.db2.gz VSCBCIYCHLWTHA-JXFKEZNVSA-N 2 2 367.497 3.121 10 0 FGAELP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)c1ccc(F)cc1 ZINC000246154455 497640091 /nfs/dbraw/zinc/64/00/91/497640091.db2.gz QBTMDGDEULOFCI-ULQDDVLXSA-N 2 2 370.472 3.220 10 0 FGAELP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)c1ccc(F)cc1 ZINC000246154455 497640096 /nfs/dbraw/zinc/64/00/96/497640096.db2.gz QBTMDGDEULOFCI-ULQDDVLXSA-N 2 2 370.472 3.220 10 0 FGAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H]2CCSc3c(F)cccc32)nc[nH+]1 ZINC000246476289 497745788 /nfs/dbraw/zinc/74/57/88/497745788.db2.gz QWLSLXPBDWWEHQ-CJNGLKHVSA-N 2 2 373.501 3.453 10 0 FGAELP COCCN(C)c1ccc(C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)cn1 ZINC000191240449 497754157 /nfs/dbraw/zinc/75/41/57/497754157.db2.gz MAOCRIOOFBDQMD-KRWDZBQOSA-N 2 2 365.481 3.201 10 0 FGAELP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000246549558 497772008 /nfs/dbraw/zinc/77/20/08/497772008.db2.gz QVVZELKMHYWGGT-ROUUACIJSA-N 2 2 353.470 3.178 10 0 FGAELP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000246549558 497772009 /nfs/dbraw/zinc/77/20/09/497772009.db2.gz QVVZELKMHYWGGT-ROUUACIJSA-N 2 2 353.470 3.178 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000246927534 497820837 /nfs/dbraw/zinc/82/08/37/497820837.db2.gz GVRHBWUEHXRAQR-WOJBJXKFSA-N 2 2 371.525 3.393 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000246927534 497820838 /nfs/dbraw/zinc/82/08/38/497820838.db2.gz GVRHBWUEHXRAQR-WOJBJXKFSA-N 2 2 371.525 3.393 10 0 FGAELP CC(C)c1nc(NC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)nc(N(C)C)[nH+]1 ZINC000301977269 498353160 /nfs/dbraw/zinc/35/31/60/498353160.db2.gz WNMGEIVYLXFDCG-AEFFLSMTSA-N 2 2 368.529 3.384 10 0 FGAELP CC(C)c1nc(NC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)nc(N(C)C)[nH+]1 ZINC000301977269 498353167 /nfs/dbraw/zinc/35/31/67/498353167.db2.gz WNMGEIVYLXFDCG-AEFFLSMTSA-N 2 2 368.529 3.384 10 0 FGAELP CC(C)(C)n1cc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nn1 ZINC000311892031 498756001 /nfs/dbraw/zinc/75/60/01/498756001.db2.gz AVICIQSQEFEGTB-YSIASYRMSA-N 2 2 353.514 3.033 10 0 FGAELP CC(C)(C)n1cc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nn1 ZINC000311892031 498756007 /nfs/dbraw/zinc/75/60/07/498756007.db2.gz AVICIQSQEFEGTB-YSIASYRMSA-N 2 2 353.514 3.033 10 0 FGAELP COc1c(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)c(C)nn1C ZINC000389130645 499552409 /nfs/dbraw/zinc/55/24/09/499552409.db2.gz POVQHKANIPOOBT-LJQANCHMSA-N 2 2 356.514 3.129 10 0 FGAELP COc1c(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c(C)nn1C ZINC000389130645 499552411 /nfs/dbraw/zinc/55/24/11/499552411.db2.gz POVQHKANIPOOBT-LJQANCHMSA-N 2 2 356.514 3.129 10 0 FGAELP CC(C)[C@H](C)NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000157435388 705154267 /nfs/dbraw/zinc/15/42/67/705154267.db2.gz WAGGPGSOAUSYRM-YTQUADARSA-N 2 2 352.567 3.010 10 0 FGAELP CC(C)[C@H](C)NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000157435388 705154271 /nfs/dbraw/zinc/15/42/71/705154271.db2.gz WAGGPGSOAUSYRM-YTQUADARSA-N 2 2 352.567 3.010 10 0 FGAELP C[C@H](C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)[NH+]1CCCCC1 ZINC000380410390 713976732 /nfs/dbraw/zinc/97/67/32/713976732.db2.gz ZDTXIXWZAZAOOL-SQNIBIBYSA-N 2 2 353.551 3.486 10 0 FGAELP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccncc2)cc1 ZINC000011819385 207324462 /nfs/dbraw/zinc/32/44/62/207324462.db2.gz PWIBYSAQYFXXIL-HXUWFJFHSA-N 2 2 361.449 3.179 10 0 FGAELP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccncc2)cc1 ZINC000011819385 207324467 /nfs/dbraw/zinc/32/44/67/207324467.db2.gz PWIBYSAQYFXXIL-HXUWFJFHSA-N 2 2 361.449 3.179 10 0 FGAELP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000074104156 494482471 /nfs/dbraw/zinc/48/24/71/494482471.db2.gz CKDPZFJQAGROQB-ROUUACIJSA-N 2 2 369.513 3.353 10 0 FGAELP CC(C)[N@H+]1CCC[C@@H](CNC(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000074104156 494482472 /nfs/dbraw/zinc/48/24/72/494482472.db2.gz CKDPZFJQAGROQB-ROUUACIJSA-N 2 2 369.513 3.353 10 0 FGAELP CC(C)[NH2+]C1CCN(C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000074876586 494638206 /nfs/dbraw/zinc/63/82/06/494638206.db2.gz HOKYUZAMEFRNPO-INIZCTEOSA-N 2 2 355.486 3.105 10 0 FGAELP C[C@H](c1nc(-c2cccnc2)no1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000112979256 495263039 /nfs/dbraw/zinc/26/30/39/495263039.db2.gz NRMOZFXBMUCEIP-HUUCEWRRSA-N 2 2 350.426 3.022 10 0 FGAELP C[C@H](c1nc(-c2cccnc2)no1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000112979256 495263043 /nfs/dbraw/zinc/26/30/43/495263043.db2.gz NRMOZFXBMUCEIP-HUUCEWRRSA-N 2 2 350.426 3.022 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)N[C@@H](c2ccccc2)C2CC2)C1 ZINC000106214120 495433265 /nfs/dbraw/zinc/43/32/65/495433265.db2.gz RHNGEKFRMQOPDF-UGKGYDQZSA-N 2 2 366.509 3.350 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)N[C@@H](c2ccccc2)C2CC2)C1 ZINC000106214120 495433267 /nfs/dbraw/zinc/43/32/67/495433267.db2.gz RHNGEKFRMQOPDF-UGKGYDQZSA-N 2 2 366.509 3.350 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N[C@@H](c2ccccc2)C2CC2)C1 ZINC000106214116 495433325 /nfs/dbraw/zinc/43/33/25/495433325.db2.gz RHNGEKFRMQOPDF-KNQAVFIVSA-N 2 2 366.509 3.350 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N[C@@H](c2ccccc2)C2CC2)C1 ZINC000106214116 495433327 /nfs/dbraw/zinc/43/33/27/495433327.db2.gz RHNGEKFRMQOPDF-KNQAVFIVSA-N 2 2 366.509 3.350 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N(C)Cc2ccccc2C)C1 ZINC000106214831 495434194 /nfs/dbraw/zinc/43/41/94/495434194.db2.gz MSPUYQZPSPXRMW-LJQANCHMSA-N 2 2 354.498 3.049 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N(C)Cc2ccccc2C)C1 ZINC000106214831 495434200 /nfs/dbraw/zinc/43/42/00/495434200.db2.gz MSPUYQZPSPXRMW-LJQANCHMSA-N 2 2 354.498 3.049 10 0 FGAELP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000176352072 495615943 /nfs/dbraw/zinc/61/59/43/495615943.db2.gz QVVZELKMHYWGGT-QZTJIDSGSA-N 2 2 353.470 3.178 10 0 FGAELP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000176352072 495615949 /nfs/dbraw/zinc/61/59/49/495615949.db2.gz QVVZELKMHYWGGT-QZTJIDSGSA-N 2 2 353.470 3.178 10 0 FGAELP COc1cc(-c2noc(C[N@@H+]3CCC[C@@H]3Cn3cc[nH+]c3C)n2)ccc1C ZINC000154555616 495653294 /nfs/dbraw/zinc/65/32/94/495653294.db2.gz HIQNZGJXDNHLMF-QGZVFWFLSA-N 2 2 367.453 3.223 10 0 FGAELP COc1cc(-c2noc(C[N@H+]3CCC[C@@H]3Cn3cc[nH+]c3C)n2)ccc1C ZINC000154555616 495653299 /nfs/dbraw/zinc/65/32/99/495653299.db2.gz HIQNZGJXDNHLMF-QGZVFWFLSA-N 2 2 367.453 3.223 10 0 FGAELP C[C@H](NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173920953 495748446 /nfs/dbraw/zinc/74/84/46/495748446.db2.gz NOJCBUOQVCNIDU-LAUBAEHRSA-N 2 2 362.477 3.222 10 0 FGAELP COc1ccc([C@@H](C)[NH2+][C@H]2CCCn3ncnc32)cc1C[NH+]1CCCCC1 ZINC000183090901 495830114 /nfs/dbraw/zinc/83/01/14/495830114.db2.gz DVLSTFHQFPMATD-APWZRJJASA-N 2 2 369.513 3.458 10 0 FGAELP CCO[C@H]1C[C@H]([NH2+]CCCn2c(C)[nH+]c3ccccc32)C12CCOCC2 ZINC000186207640 495896309 /nfs/dbraw/zinc/89/63/09/495896309.db2.gz XRKSNIDXRIEVLW-PMACEKPBSA-N 2 2 357.498 3.299 10 0 FGAELP Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171648299 495967617 /nfs/dbraw/zinc/96/76/17/495967617.db2.gz NIGHBFOZPICDJF-OAHLLOKOSA-N 2 2 358.873 3.416 10 0 FGAELP Cc1c(Cl)cccc1NC(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171648299 495967624 /nfs/dbraw/zinc/96/76/24/495967624.db2.gz NIGHBFOZPICDJF-OAHLLOKOSA-N 2 2 358.873 3.416 10 0 FGAELP CC(=O)c1c(C)[nH]c(C(=O)C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)c1C ZINC000171652779 495972943 /nfs/dbraw/zinc/97/29/43/495972943.db2.gz DKVMBFUTDHPKKE-KRWDZBQOSA-N 2 2 368.481 3.154 10 0 FGAELP CC(=O)c1c(C)[nH]c(C(=O)C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)c1C ZINC000171652779 495972952 /nfs/dbraw/zinc/97/29/52/495972952.db2.gz DKVMBFUTDHPKKE-KRWDZBQOSA-N 2 2 368.481 3.154 10 0 FGAELP CCc1nc2c(s1)[C@@H]([NH2+]C[C@H]1CCCN1c1cc(NC)[nH+]cn1)CCC2 ZINC000180578036 496052725 /nfs/dbraw/zinc/05/27/25/496052725.db2.gz AVTZWMFOGUXJQV-KGLIPLIRSA-N 2 2 372.542 3.173 10 0 FGAELP Cc1cccn2c(=O)cc(C[NH2+][C@H](C)c3cccc(-n4cc[nH+]c4)c3)nc12 ZINC000180658200 496090820 /nfs/dbraw/zinc/09/08/20/496090820.db2.gz PAYNDIKSKVZSRU-MRXNPFEDSA-N 2 2 359.433 3.039 10 0 FGAELP C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C(=O)NCCc1cccs1 ZINC000180664331 496093821 /nfs/dbraw/zinc/09/38/21/496093821.db2.gz DJLQCHTYSUMVQA-JKSUJKDBSA-N 2 2 368.506 3.332 10 0 FGAELP Cc1ccccc1CN(C)C(=O)C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180668505 496097269 /nfs/dbraw/zinc/09/72/69/496097269.db2.gz UKJCEVCSJDEHBA-SFHVURJKSA-N 2 2 362.477 3.490 10 0 FGAELP C[C@H](NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000177579458 496119259 /nfs/dbraw/zinc/11/92/59/496119259.db2.gz MZYBMFKVTHVVFU-QFBILLFUSA-N 2 2 364.453 3.004 10 0 FGAELP Fc1ccc(Cn2cc(C[N@@H+]3CC[C@H](CNc4cccc[nH+]4)C3)cn2)cc1 ZINC000187123374 496303074 /nfs/dbraw/zinc/30/30/74/496303074.db2.gz CLSLJWMQXJQPDK-GOSISDBHSA-N 2 2 365.456 3.400 10 0 FGAELP Fc1ccc(Cn2cc(C[N@H+]3CC[C@H](CNc4cccc[nH+]4)C3)cn2)cc1 ZINC000187123374 496303079 /nfs/dbraw/zinc/30/30/79/496303079.db2.gz CLSLJWMQXJQPDK-GOSISDBHSA-N 2 2 365.456 3.400 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@H](O)COc1ccc2ccccc2c1 ZINC000178328084 496414614 /nfs/dbraw/zinc/41/46/14/496414614.db2.gz BYLRSJRJRWUIGO-SFTDATJTSA-N 2 2 365.477 3.249 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@H](O)COc1ccc2ccccc2c1 ZINC000178328084 496414619 /nfs/dbraw/zinc/41/46/19/496414619.db2.gz BYLRSJRJRWUIGO-SFTDATJTSA-N 2 2 365.477 3.249 10 0 FGAELP C[N@H+](Cc1cscn1)Cc1cccc(NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000168581345 496710708 /nfs/dbraw/zinc/71/07/08/496710708.db2.gz SFRJOPIQKSNYEF-CVEARBPZSA-N 2 2 358.511 3.231 10 0 FGAELP C[N@@H+](Cc1cscn1)Cc1cccc(NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000168581345 496710711 /nfs/dbraw/zinc/71/07/11/496710711.db2.gz SFRJOPIQKSNYEF-CVEARBPZSA-N 2 2 358.511 3.231 10 0 FGAELP COc1c(C)c[nH+]c(CN2CC[C@@H](C[N@H+](C)Cc3scnc3C)C2)c1C ZINC000195255401 496863245 /nfs/dbraw/zinc/86/32/45/496863245.db2.gz UYTIZJRGRXDYCB-KRWDZBQOSA-N 2 2 374.554 3.426 10 0 FGAELP COc1c(C)c[nH+]c(CN2CC[C@@H](C[N@@H+](C)Cc3scnc3C)C2)c1C ZINC000195255401 496863247 /nfs/dbraw/zinc/86/32/47/496863247.db2.gz UYTIZJRGRXDYCB-KRWDZBQOSA-N 2 2 374.554 3.426 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(F)c(F)c2)C1 ZINC000247603696 496895694 /nfs/dbraw/zinc/89/56/94/496895694.db2.gz LHYPYQYAIMTMTA-HIFRSBDPSA-N 2 2 362.424 3.388 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc(F)c(F)c2)C1 ZINC000247603696 496895701 /nfs/dbraw/zinc/89/57/01/496895701.db2.gz LHYPYQYAIMTMTA-HIFRSBDPSA-N 2 2 362.424 3.388 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NCc2ccccc2Cl)C1 ZINC000247874596 496922779 /nfs/dbraw/zinc/92/27/79/496922779.db2.gz YFZWEDMCICCEIT-NVXWUHKLSA-N 2 2 374.916 3.441 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)NCc2ccccc2Cl)C1 ZINC000247874596 496922786 /nfs/dbraw/zinc/92/27/86/496922786.db2.gz YFZWEDMCICCEIT-NVXWUHKLSA-N 2 2 374.916 3.441 10 0 FGAELP COC(=O)c1cccc(OCC[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000189905370 497289229 /nfs/dbraw/zinc/28/92/29/497289229.db2.gz BBHMYCOUGJSSII-MRXNPFEDSA-N 2 2 365.433 3.389 10 0 FGAELP CC(C)c1nnc(C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)n1C ZINC000189959577 497306303 /nfs/dbraw/zinc/30/63/03/497306303.db2.gz OFCOFCGHMTYOCS-IAGOWNOFSA-N 2 2 355.530 3.185 10 0 FGAELP CCc1cccc(C)c1NC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261732002 497442099 /nfs/dbraw/zinc/44/20/99/497442099.db2.gz LXNZEARQQGTKSC-UXHICEINSA-N 2 2 351.494 3.170 10 0 FGAELP CCc1cccc(C)c1NC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261732002 497442104 /nfs/dbraw/zinc/44/21/04/497442104.db2.gz LXNZEARQQGTKSC-UXHICEINSA-N 2 2 351.494 3.170 10 0 FGAELP CC1CCN([C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c2ccccc2)CC1 ZINC000261958350 497483071 /nfs/dbraw/zinc/48/30/71/497483071.db2.gz PFEUTYMKFZSLFK-GSPCLOLRSA-N 2 2 371.569 3.206 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2c(C)nn(C)c2Cl)C1 ZINC000190464258 497489923 /nfs/dbraw/zinc/48/99/23/497489923.db2.gz GMPFYBRNZWJBBX-AWEZNQCLSA-N 2 2 367.950 3.101 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2c(C)nn(C)c2Cl)C1 ZINC000190464258 497489927 /nfs/dbraw/zinc/48/99/27/497489927.db2.gz GMPFYBRNZWJBBX-AWEZNQCLSA-N 2 2 367.950 3.101 10 0 FGAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2c(C)nn(C)c2Cl)C1 ZINC000190464258 497489931 /nfs/dbraw/zinc/48/99/31/497489931.db2.gz GMPFYBRNZWJBBX-AWEZNQCLSA-N 2 2 367.950 3.101 10 0 FGAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2c(C)nn(C)c2Cl)C1 ZINC000190464258 497489936 /nfs/dbraw/zinc/48/99/36/497489936.db2.gz GMPFYBRNZWJBBX-AWEZNQCLSA-N 2 2 367.950 3.101 10 0 FGAELP COc1cc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)cc(OC)c1 ZINC000190471578 497494017 /nfs/dbraw/zinc/49/40/17/497494017.db2.gz NBHQQOUVZDDMJW-SFHVURJKSA-N 2 2 355.482 3.053 10 0 FGAELP COc1cc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)cc(OC)c1 ZINC000190471578 497494025 /nfs/dbraw/zinc/49/40/25/497494025.db2.gz NBHQQOUVZDDMJW-SFHVURJKSA-N 2 2 355.482 3.053 10 0 FGAELP COc1cc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)cc(OC)c1 ZINC000190471578 497494031 /nfs/dbraw/zinc/49/40/31/497494031.db2.gz NBHQQOUVZDDMJW-SFHVURJKSA-N 2 2 355.482 3.053 10 0 FGAELP COc1cc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)cc(OC)c1 ZINC000190471578 497494036 /nfs/dbraw/zinc/49/40/36/497494036.db2.gz NBHQQOUVZDDMJW-SFHVURJKSA-N 2 2 355.482 3.053 10 0 FGAELP C[C@@H]1CC[N@H+](C[C@H](O)CO[C@H]2CCCc3ccccc32)C[C@@H]1n1cc[nH+]c1 ZINC000245743817 497525342 /nfs/dbraw/zinc/52/53/42/497525342.db2.gz XRHJQNYRHRWLEC-HQMSXXKGSA-N 2 2 369.509 3.221 10 0 FGAELP C[C@@H]1CC[N@@H+](C[C@H](O)CO[C@H]2CCCc3ccccc32)C[C@@H]1n1cc[nH+]c1 ZINC000245743817 497525344 /nfs/dbraw/zinc/52/53/44/497525344.db2.gz XRHJQNYRHRWLEC-HQMSXXKGSA-N 2 2 369.509 3.221 10 0 FGAELP O=C1[C@@H]([N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)CCN1c1ccc(Cl)cc1 ZINC000246210578 497661517 /nfs/dbraw/zinc/66/15/17/497661517.db2.gz OUMYKXFZKNAXOS-YJBOKZPZSA-N 2 2 370.884 3.274 10 0 FGAELP O=C1[C@@H]([N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)CCN1c1ccc(Cl)cc1 ZINC000246210578 497661523 /nfs/dbraw/zinc/66/15/23/497661523.db2.gz OUMYKXFZKNAXOS-YJBOKZPZSA-N 2 2 370.884 3.274 10 0 FGAELP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000246390956 497718290 /nfs/dbraw/zinc/71/82/90/497718290.db2.gz KXAVECJIUMZABC-MDZRGWNJSA-N 2 2 365.949 3.395 10 0 FGAELP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Br)c(Br)c2)C1 ZINC000389537940 499553211 /nfs/dbraw/zinc/55/32/11/499553211.db2.gz JQOGHZFYJMUZCO-NSHDSACASA-N 2 2 362.109 3.395 10 0 FGAELP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(Br)c(Br)c2)C1 ZINC000389537940 499553213 /nfs/dbraw/zinc/55/32/13/499553213.db2.gz JQOGHZFYJMUZCO-NSHDSACASA-N 2 2 362.109 3.395 10 0 FGAELP CC(C)c1cnc(CN(Cc2[nH+]ccn2C)[C@H]2CC23CC[NH2+]CC3)s1 ZINC000262176293 519850418 /nfs/dbraw/zinc/85/04/18/519850418.db2.gz VXNSBUDAVCJEEW-INIZCTEOSA-N 2 2 359.543 3.144 10 0 FGAELP CCC[NH2+][C@H](Cc1[nH]cc[nH+]1)c1ccccc1I ZINC000035586467 208131935 /nfs/dbraw/zinc/13/19/35/208131935.db2.gz JOKALFRUZXBZTJ-CYBMUJFWSA-N 2 2 355.223 3.298 10 0 FGAELP CCCOc1ccccc1[C@H]1[NH2+][C@](CO)(c2ccccc2)[C@H]2C[N@H+](C)C[C@H]21 ZINC000065385991 494191951 /nfs/dbraw/zinc/19/19/51/494191951.db2.gz DLTNNTHPSCTXLX-IRMYBRCSSA-N 2 2 366.505 3.185 10 0 FGAELP CCCOc1ccccc1[C@H]1[NH2+][C@](CO)(c2ccccc2)[C@H]2C[N@@H+](C)C[C@H]21 ZINC000065385991 494191954 /nfs/dbraw/zinc/19/19/54/494191954.db2.gz DLTNNTHPSCTXLX-IRMYBRCSSA-N 2 2 366.505 3.185 10 0 FGAELP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3cc(C)on3)CC2)c1C ZINC000091708722 494656008 /nfs/dbraw/zinc/65/60/08/494656008.db2.gz QSFHXKCZBOGAFP-UHFFFAOYSA-N 2 2 358.486 3.100 10 0 FGAELP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3cc(C)on3)CC2)c1C ZINC000091708722 494656014 /nfs/dbraw/zinc/65/60/14/494656014.db2.gz QSFHXKCZBOGAFP-UHFFFAOYSA-N 2 2 358.486 3.100 10 0 FGAELP COc1cc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc(OC)c1OC ZINC000092812824 494758934 /nfs/dbraw/zinc/75/89/34/494758934.db2.gz UAHSJFSJFUNAJI-HNNXBMFYSA-N 2 2 357.454 3.041 10 0 FGAELP COc1cc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc(OC)c1OC ZINC000092812824 494758939 /nfs/dbraw/zinc/75/89/39/494758939.db2.gz UAHSJFSJFUNAJI-HNNXBMFYSA-N 2 2 357.454 3.041 10 0 FGAELP O[C@@H](C[NH2+][C@@H]1CCCOc2ccc(F)cc21)C[N@@H+]1CCc2ccccc2C1 ZINC000098144745 495061643 /nfs/dbraw/zinc/06/16/43/495061643.db2.gz ZQJHMHSNMJXYOW-PZJWPPBQSA-N 2 2 370.468 3.048 10 0 FGAELP O[C@@H](C[NH2+][C@@H]1CCCOc2ccc(F)cc21)C[N@H+]1CCc2ccccc2C1 ZINC000098144745 495061645 /nfs/dbraw/zinc/06/16/45/495061645.db2.gz ZQJHMHSNMJXYOW-PZJWPPBQSA-N 2 2 370.468 3.048 10 0 FGAELP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000130381918 495382954 /nfs/dbraw/zinc/38/29/54/495382954.db2.gz XOUBXCZWGKLKHJ-XLIONFOSSA-N 2 2 371.550 3.126 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2csc(N(C(C)=O)C3CC3)n2)C1 ZINC000114720557 495414513 /nfs/dbraw/zinc/41/45/13/495414513.db2.gz DCHZXBVHXVWPSG-KRWDZBQOSA-N 2 2 373.526 3.254 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2csc(N(C(C)=O)C3CC3)n2)C1 ZINC000114720557 495414518 /nfs/dbraw/zinc/41/45/18/495414518.db2.gz DCHZXBVHXVWPSG-KRWDZBQOSA-N 2 2 373.526 3.254 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(OC)cc2)C1 ZINC000106215112 495434065 /nfs/dbraw/zinc/43/40/65/495434065.db2.gz GYGMVOCZGPNOIY-DOTOQJQBSA-N 2 2 356.470 3.118 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(OC)cc2)C1 ZINC000106215112 495434067 /nfs/dbraw/zinc/43/40/67/495434067.db2.gz GYGMVOCZGPNOIY-DOTOQJQBSA-N 2 2 356.470 3.118 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000106215949 495434371 /nfs/dbraw/zinc/43/43/71/495434371.db2.gz GDRUPFOEZDJETA-QUCCMNQESA-N 2 2 352.482 3.102 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000106215949 495434377 /nfs/dbraw/zinc/43/43/77/495434377.db2.gz GDRUPFOEZDJETA-QUCCMNQESA-N 2 2 352.482 3.102 10 0 FGAELP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c(F)c1 ZINC000171643000 495962544 /nfs/dbraw/zinc/96/25/44/495962544.db2.gz FZUOIPANJPNCMQ-HZPDHXFCSA-N 2 2 356.445 3.290 10 0 FGAELP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c(F)c1 ZINC000171643000 495962546 /nfs/dbraw/zinc/96/25/46/495962546.db2.gz FZUOIPANJPNCMQ-HZPDHXFCSA-N 2 2 356.445 3.290 10 0 FGAELP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1C ZINC000171643392 495962651 /nfs/dbraw/zinc/96/26/51/495962651.db2.gz ZWQYVONLJOKUKE-ZWKOTPCHSA-N 2 2 352.482 3.459 10 0 FGAELP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1C ZINC000171643392 495962655 /nfs/dbraw/zinc/96/26/55/495962655.db2.gz ZWQYVONLJOKUKE-ZWKOTPCHSA-N 2 2 352.482 3.459 10 0 FGAELP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c(C)c1 ZINC000171644616 495963613 /nfs/dbraw/zinc/96/36/13/495963613.db2.gz WUFTWGKQUKCVRB-QZTJIDSGSA-N 2 2 352.482 3.459 10 0 FGAELP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c(C)c1 ZINC000171644616 495963616 /nfs/dbraw/zinc/96/36/16/495963616.db2.gz WUFTWGKQUKCVRB-QZTJIDSGSA-N 2 2 352.482 3.459 10 0 FGAELP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000171644589 495964172 /nfs/dbraw/zinc/96/41/72/495964172.db2.gz PQYBAJWQZUCPTJ-QZTJIDSGSA-N 2 2 352.482 3.459 10 0 FGAELP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000171644589 495964179 /nfs/dbraw/zinc/96/41/79/495964179.db2.gz PQYBAJWQZUCPTJ-QZTJIDSGSA-N 2 2 352.482 3.459 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1nnc(-c2ccc(Cl)cc2)n1C ZINC000186363270 495965817 /nfs/dbraw/zinc/96/58/17/495965817.db2.gz JLVIQYOMLMBPGP-KRWDZBQOSA-N 2 2 370.888 3.305 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1nnc(-c2ccc(Cl)cc2)n1C ZINC000186363270 495965822 /nfs/dbraw/zinc/96/58/22/495965822.db2.gz JLVIQYOMLMBPGP-KRWDZBQOSA-N 2 2 370.888 3.305 10 0 FGAELP CSc1cccc(NC(=O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000171647537 495966085 /nfs/dbraw/zinc/96/60/85/495966085.db2.gz OPAGLEYNXWCNGY-OAHLLOKOSA-N 2 2 356.495 3.176 10 0 FGAELP CSc1cccc(NC(=O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000171647537 495966089 /nfs/dbraw/zinc/96/60/89/495966089.db2.gz OPAGLEYNXWCNGY-OAHLLOKOSA-N 2 2 356.495 3.176 10 0 FGAELP CC(C)N(C(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)c1ccccc1 ZINC000171648251 495966969 /nfs/dbraw/zinc/96/69/69/495966969.db2.gz NRVJHULHSMWYSA-SFHVURJKSA-N 2 2 352.482 3.257 10 0 FGAELP CC(C)N(C(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)c1ccccc1 ZINC000171648251 495966973 /nfs/dbraw/zinc/96/69/73/495966973.db2.gz NRVJHULHSMWYSA-SFHVURJKSA-N 2 2 352.482 3.257 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3cc(F)ccc3F)C2)[nH+]1 ZINC000171650917 495969565 /nfs/dbraw/zinc/96/95/65/495969565.db2.gz JBSALAGBDHRRTP-LSDHHAIUSA-N 2 2 374.435 3.429 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3cc(F)ccc3F)C2)[nH+]1 ZINC000171650917 495969568 /nfs/dbraw/zinc/96/95/68/495969568.db2.gz JBSALAGBDHRRTP-LSDHHAIUSA-N 2 2 374.435 3.429 10 0 FGAELP CSc1ccc(NC(=O)C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)cc1 ZINC000171650765 495969590 /nfs/dbraw/zinc/96/95/90/495969590.db2.gz QQXPLBKNOHJKHG-INIZCTEOSA-N 2 2 370.522 3.484 10 0 FGAELP CSc1ccc(NC(=O)C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)cc1 ZINC000171650765 495969593 /nfs/dbraw/zinc/96/95/93/495969593.db2.gz QQXPLBKNOHJKHG-INIZCTEOSA-N 2 2 370.522 3.484 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccccc3C)C2)[nH+]1 ZINC000171652153 495970095 /nfs/dbraw/zinc/97/00/95/495970095.db2.gz YOSHCBXZKMCSNG-QZTJIDSGSA-N 2 2 352.482 3.459 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccccc3C)C2)[nH+]1 ZINC000171652153 495970101 /nfs/dbraw/zinc/97/01/01/495970101.db2.gz YOSHCBXZKMCSNG-QZTJIDSGSA-N 2 2 352.482 3.459 10 0 FGAELP CCc1nc(C)c([C@H](C)[NH2+]C[C@@H]2CCCN2c2cc(NC)[nH+]cn2)s1 ZINC000180565173 496045817 /nfs/dbraw/zinc/04/58/17/496045817.db2.gz HRJKPIOZUOHVND-JSGCOSHPSA-N 2 2 360.531 3.165 10 0 FGAELP C[C@@H]([NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)C(=O)NCCc1cccs1 ZINC000180664349 496094383 /nfs/dbraw/zinc/09/43/83/496094383.db2.gz DJLQCHTYSUMVQA-HZPDHXFCSA-N 2 2 368.506 3.332 10 0 FGAELP CCCC[N@@H+]1CCOC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000184254230 496305342 /nfs/dbraw/zinc/30/53/42/496305342.db2.gz MQLRZGAJJJLANU-HXUWFJFHSA-N 2 2 359.514 3.112 10 0 FGAELP CCCC[N@H+]1CCOC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000184254230 496305350 /nfs/dbraw/zinc/30/53/50/496305350.db2.gz MQLRZGAJJJLANU-HXUWFJFHSA-N 2 2 359.514 3.112 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000178318016 496410929 /nfs/dbraw/zinc/41/09/29/496410929.db2.gz MTRVDBQTSMVYHF-GOSISDBHSA-N 2 2 362.518 3.303 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000178318016 496410935 /nfs/dbraw/zinc/41/09/35/496410935.db2.gz MTRVDBQTSMVYHF-GOSISDBHSA-N 2 2 362.518 3.303 10 0 FGAELP C[C@H](CCNC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1)[NH+]1CCCCC1 ZINC000181869011 496579529 /nfs/dbraw/zinc/57/95/29/496579529.db2.gz QENHXBPUTXSMQR-MSOLQXFVSA-N 2 2 369.513 3.497 10 0 FGAELP COC(=O)c1ccc(Cl)c(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000181949944 496609104 /nfs/dbraw/zinc/60/91/04/496609104.db2.gz ILTXWZCSFIMZIL-CQSZACIVSA-N 2 2 359.857 3.456 10 0 FGAELP COC(=O)c1ccc(Cl)c(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000181949944 496609110 /nfs/dbraw/zinc/60/91/10/496609110.db2.gz ILTXWZCSFIMZIL-CQSZACIVSA-N 2 2 359.857 3.456 10 0 FGAELP C[C@H](NC(=O)NC[C@@H](c1ccco1)[NH+](C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173354026 496656873 /nfs/dbraw/zinc/65/68/73/496656873.db2.gz CLQDPBMRFMILBG-YJBOKZPZSA-N 2 2 367.453 3.128 10 0 FGAELP CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000247422467 496855624 /nfs/dbraw/zinc/85/56/24/496855624.db2.gz KQTXEPBHGVISQC-APWZRJJASA-N 2 2 355.486 3.107 10 0 FGAELP CC[N@H+]1CCCC[C@H]1CNC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000247422467 496855629 /nfs/dbraw/zinc/85/56/29/496855629.db2.gz KQTXEPBHGVISQC-APWZRJJASA-N 2 2 355.486 3.107 10 0 FGAELP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000247422471 496856164 /nfs/dbraw/zinc/85/61/64/496856164.db2.gz KQTXEPBHGVISQC-VQIMIIECSA-N 2 2 355.486 3.107 10 0 FGAELP CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000247422471 496856169 /nfs/dbraw/zinc/85/61/69/496856169.db2.gz KQTXEPBHGVISQC-VQIMIIECSA-N 2 2 355.486 3.107 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)C1 ZINC000247587307 496893418 /nfs/dbraw/zinc/89/34/18/496893418.db2.gz JDTUIIUMZMVQTE-FRQCXROJSA-N 2 2 372.488 3.487 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)C1 ZINC000247587307 496893424 /nfs/dbraw/zinc/89/34/24/496893424.db2.gz JDTUIIUMZMVQTE-FRQCXROJSA-N 2 2 372.488 3.487 10 0 FGAELP CCn1cnnc1C1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2C)CC1 ZINC000192011391 496963228 /nfs/dbraw/zinc/96/32/28/496963228.db2.gz PEJYNBCZIBKXMS-UHFFFAOYSA-N 2 2 350.470 3.172 10 0 FGAELP Fc1ccc(-c2nc(C[N@@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)no2)c(F)c1 ZINC000189040540 496988546 /nfs/dbraw/zinc/98/85/46/496988546.db2.gz BVSRGOYGZYNSIM-ZDUSSCGKSA-N 2 2 371.391 3.344 10 0 FGAELP Fc1ccc(-c2nc(C[N@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)no2)c(F)c1 ZINC000189040540 496988549 /nfs/dbraw/zinc/98/85/49/496988549.db2.gz BVSRGOYGZYNSIM-ZDUSSCGKSA-N 2 2 371.391 3.344 10 0 FGAELP C[C@@H]([NH2+]CC(=O)NCc1cc(F)cc(F)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189890191 497282090 /nfs/dbraw/zinc/28/20/90/497282090.db2.gz FQUKSKOIFNUIQX-CQSZACIVSA-N 2 2 370.403 3.118 10 0 FGAELP COC[C@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(Cl)cc1 ZINC000193664171 497441631 /nfs/dbraw/zinc/44/16/31/497441631.db2.gz OUSFJAFMBRGWBB-SFTDATJTSA-N 2 2 374.912 3.036 10 0 FGAELP COC[C@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(Cl)cc1 ZINC000193664171 497441637 /nfs/dbraw/zinc/44/16/37/497441637.db2.gz OUSFJAFMBRGWBB-SFTDATJTSA-N 2 2 374.912 3.036 10 0 FGAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000190478981 497497420 /nfs/dbraw/zinc/49/74/20/497497420.db2.gz JYXHMQUIQDQDOL-GOSISDBHSA-N 2 2 362.477 3.289 10 0 FGAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000190478981 497497425 /nfs/dbraw/zinc/49/74/25/497497425.db2.gz JYXHMQUIQDQDOL-GOSISDBHSA-N 2 2 362.477 3.289 10 0 FGAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000190478981 497497431 /nfs/dbraw/zinc/49/74/31/497497431.db2.gz JYXHMQUIQDQDOL-GOSISDBHSA-N 2 2 362.477 3.289 10 0 FGAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000190478981 497497436 /nfs/dbraw/zinc/49/74/36/497497436.db2.gz JYXHMQUIQDQDOL-GOSISDBHSA-N 2 2 362.477 3.289 10 0 FGAELP C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246098056 497621048 /nfs/dbraw/zinc/62/10/48/497621048.db2.gz HQVOYLSXISHTSB-QRVBRYPASA-N 2 2 366.509 3.124 10 0 FGAELP C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246098056 497621051 /nfs/dbraw/zinc/62/10/51/497621051.db2.gz HQVOYLSXISHTSB-QRVBRYPASA-N 2 2 366.509 3.124 10 0 FGAELP C[C@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1csc(Cl)c1 ZINC000191164078 497729404 /nfs/dbraw/zinc/72/94/04/497729404.db2.gz SHBCOJRBXCZZHN-GUYCJALGSA-N 2 2 350.915 3.471 10 0 FGAELP C[C@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1csc(Cl)c1 ZINC000191164078 497729409 /nfs/dbraw/zinc/72/94/09/497729409.db2.gz SHBCOJRBXCZZHN-GUYCJALGSA-N 2 2 350.915 3.471 10 0 FGAELP Cc1c([C@H](C)[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)cnn1C(C)(C)C ZINC000191164247 497730161 /nfs/dbraw/zinc/73/01/61/497730161.db2.gz PQXVPDMULGYKCW-JXFKEZNVSA-N 2 2 370.541 3.016 10 0 FGAELP Cc1c([C@H](C)[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)cnn1C(C)(C)C ZINC000191164247 497730167 /nfs/dbraw/zinc/73/01/67/497730167.db2.gz PQXVPDMULGYKCW-JXFKEZNVSA-N 2 2 370.541 3.016 10 0 FGAELP C[C@@H](NC(=O)NCCC[N@@H+]1CCCC[C@@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000246568460 497776973 /nfs/dbraw/zinc/77/69/73/497776973.db2.gz ZGLXWQHZNIUAPE-ZWKOTPCHSA-N 2 2 369.513 3.497 10 0 FGAELP C[C@@H](NC(=O)NCCC[N@H+]1CCCC[C@@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000246568460 497776979 /nfs/dbraw/zinc/77/69/79/497776979.db2.gz ZGLXWQHZNIUAPE-ZWKOTPCHSA-N 2 2 369.513 3.497 10 0 FGAELP Oc1cccc2c1CC[C@H]2[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390670796 499555328 /nfs/dbraw/zinc/55/53/28/499555328.db2.gz RZKMVHGECAVHEB-GHTZIAJQSA-N 2 2 352.478 3.260 10 0 FGAELP Oc1cccc2c1CC[C@H]2[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390670796 499555330 /nfs/dbraw/zinc/55/53/30/499555330.db2.gz RZKMVHGECAVHEB-GHTZIAJQSA-N 2 2 352.478 3.260 10 0 FGAELP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1cc(Br)cc(Br)c1 ZINC000394531293 499561870 /nfs/dbraw/zinc/56/18/70/499561870.db2.gz OOAQIHSGVOEQSM-ZDUSSCGKSA-N 2 2 362.109 3.395 10 0 FGAELP C[N@H+]1CCC[C@H]1C[NH2+]Cc1cc(Br)cc(Br)c1 ZINC000394531293 499561872 /nfs/dbraw/zinc/56/18/72/499561872.db2.gz OOAQIHSGVOEQSM-ZDUSSCGKSA-N 2 2 362.109 3.395 10 0 FGAELP CC(C)c1nc(NC[C@@H]2CCC[N@H+](C3CC3)[C@H]2c2ccnn2C)cc[nH+]1 ZINC000494127350 515741905 /nfs/dbraw/zinc/74/19/05/515741905.db2.gz KAKQUBCKCQIAIL-HNAYVOBHSA-N 2 2 354.502 3.361 10 0 FGAELP CC(C)c1nc(NC[C@@H]2CCC[N@@H+](C3CC3)[C@H]2c2ccnn2C)cc[nH+]1 ZINC000494127350 515741918 /nfs/dbraw/zinc/74/19/18/515741918.db2.gz KAKQUBCKCQIAIL-HNAYVOBHSA-N 2 2 354.502 3.361 10 0 FGAELP CC(=O)Nc1ccc(CC[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000088701644 519715822 /nfs/dbraw/zinc/71/58/22/519715822.db2.gz NEZSVIVYABPKAG-VGSWGCGISA-N 2 2 351.494 3.298 10 0 FGAELP CC(=O)Nc1ccc(CC[NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000088701644 519715824 /nfs/dbraw/zinc/71/58/24/519715824.db2.gz NEZSVIVYABPKAG-VGSWGCGISA-N 2 2 351.494 3.298 10 0 FGAELP COc1ccc(F)c(C[N@@H+]2CCC[C@@]3(CC[NH+](C4CCOCC4)C3)C2)c1 ZINC000011948891 207331094 /nfs/dbraw/zinc/33/10/94/207331094.db2.gz YMFNZKFVQIDAFQ-OAQYLSRUSA-N 2 2 362.489 3.301 10 0 FGAELP COc1ccc(F)c(C[N@H+]2CCC[C@@]3(CC[NH+](C4CCOCC4)C3)C2)c1 ZINC000011948891 207331097 /nfs/dbraw/zinc/33/10/97/207331097.db2.gz YMFNZKFVQIDAFQ-OAQYLSRUSA-N 2 2 362.489 3.301 10 0 FGAELP COc1ccc(F)c(C[NH+]2CCC[C@@]3(CC[N@@H+](C4CCOCC4)C3)C2)c1 ZINC000011948891 207331101 /nfs/dbraw/zinc/33/11/01/207331101.db2.gz YMFNZKFVQIDAFQ-OAQYLSRUSA-N 2 2 362.489 3.301 10 0 FGAELP COc1ccc(F)c(C[NH+]2CCC[C@@]3(CC[N@H+](C4CCOCC4)C3)C2)c1 ZINC000011948891 207331105 /nfs/dbraw/zinc/33/11/05/207331105.db2.gz YMFNZKFVQIDAFQ-OAQYLSRUSA-N 2 2 362.489 3.301 10 0 FGAELP Cc1ncsc1C[N@H+](C)C[C@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC000190445275 257368384 /nfs/dbraw/zinc/36/83/84/257368384.db2.gz RXDZDDQGDBGVQC-OAHLLOKOSA-N 2 2 357.527 3.386 10 0 FGAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC000190445275 257368385 /nfs/dbraw/zinc/36/83/85/257368385.db2.gz RXDZDDQGDBGVQC-OAHLLOKOSA-N 2 2 357.527 3.386 10 0 FGAELP [NH3+][C@@H]1c2ccccc2C2(CCN(c3cc(C(F)(F)F)cc[nH+]3)CC2)[C@H]1O ZINC000072148010 136142728 /nfs/dbraw/zinc/14/27/28/136142728.db2.gz PVCQVRAVMJRMSR-SJORKVTESA-N 2 2 363.383 3.013 10 0 FGAELP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2ccc3ccccc3n2)CC1 ZINC000077173443 494026162 /nfs/dbraw/zinc/02/61/62/494026162.db2.gz XTUMZHUMYDLPIG-KDURUIRLSA-N 2 2 352.526 3.225 10 0 FGAELP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2ccc3ccccc3n2)CC1 ZINC000077173443 494026164 /nfs/dbraw/zinc/02/61/64/494026164.db2.gz XTUMZHUMYDLPIG-KDURUIRLSA-N 2 2 352.526 3.225 10 0 FGAELP CC(C)[C@@H](CNC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1)[NH+]1CCCC1 ZINC000074102492 494481621 /nfs/dbraw/zinc/48/16/21/494481621.db2.gz NLBUIIKPFOXELD-FXAWDEMLSA-N 2 2 369.513 3.353 10 0 FGAELP C[C@@H](NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000074876624 494637898 /nfs/dbraw/zinc/63/78/98/494637898.db2.gz BUVPJMGGCAUJBJ-MJGOQNOKSA-N 2 2 369.513 3.449 10 0 FGAELP C[C@@H](NC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000074876624 494637903 /nfs/dbraw/zinc/63/79/03/494637903.db2.gz BUVPJMGGCAUJBJ-MJGOQNOKSA-N 2 2 369.513 3.449 10 0 FGAELP COc1ccc2oc(C[N@H+](C)C3CC[NH+](CCn4cccn4)CC3)cc2c1 ZINC000121239917 494661250 /nfs/dbraw/zinc/66/12/50/494661250.db2.gz LNWPXXMSMYDDEC-UHFFFAOYSA-N 2 2 368.481 3.234 10 0 FGAELP COc1ccc2oc(C[N@@H+](C)C3CC[NH+](CCn4cccn4)CC3)cc2c1 ZINC000121239917 494661258 /nfs/dbraw/zinc/66/12/58/494661258.db2.gz LNWPXXMSMYDDEC-UHFFFAOYSA-N 2 2 368.481 3.234 10 0 FGAELP Cc1cnn(C[C@H]2C[NH+](CC(C)(C)C[N@H+](C)Cc3ccccc3)CCO2)c1 ZINC000122451193 494977617 /nfs/dbraw/zinc/97/76/17/494977617.db2.gz WMZOIQMDRLDJEN-OAQYLSRUSA-N 2 2 370.541 3.051 10 0 FGAELP Cc1cnn(C[C@H]2C[NH+](CC(C)(C)C[N@@H+](C)Cc3ccccc3)CCO2)c1 ZINC000122451193 494977621 /nfs/dbraw/zinc/97/76/21/494977621.db2.gz WMZOIQMDRLDJEN-OAQYLSRUSA-N 2 2 370.541 3.051 10 0 FGAELP Cc1cnn(C[C@H]2C[N@H+](CC(C)(C)C[NH+](C)Cc3ccccc3)CCO2)c1 ZINC000122451193 494977624 /nfs/dbraw/zinc/97/76/24/494977624.db2.gz WMZOIQMDRLDJEN-OAQYLSRUSA-N 2 2 370.541 3.051 10 0 FGAELP Cc1cnn(C[C@H]2C[N@@H+](CC(C)(C)C[NH+](C)Cc3ccccc3)CCO2)c1 ZINC000122451193 494977627 /nfs/dbraw/zinc/97/76/27/494977627.db2.gz WMZOIQMDRLDJEN-OAQYLSRUSA-N 2 2 370.541 3.051 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cn(C)nc2-c2cccnc2)C1 ZINC000122872072 495043592 /nfs/dbraw/zinc/04/35/92/495043592.db2.gz RPSMTIGEAJKUFW-GOSISDBHSA-N 2 2 350.470 3.078 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cn(C)nc2-c2cccnc2)C1 ZINC000122872072 495043598 /nfs/dbraw/zinc/04/35/98/495043598.db2.gz RPSMTIGEAJKUFW-GOSISDBHSA-N 2 2 350.470 3.078 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2c(OC)cc(OC)cc2OC)C1 ZINC000122919271 495053110 /nfs/dbraw/zinc/05/31/10/495053110.db2.gz ZFYUXGCOEGXOMC-HNNXBMFYSA-N 2 2 359.470 3.308 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2c(OC)cc(OC)cc2OC)C1 ZINC000122919271 495053114 /nfs/dbraw/zinc/05/31/14/495053114.db2.gz ZFYUXGCOEGXOMC-HNNXBMFYSA-N 2 2 359.470 3.308 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccncc2)C1 ZINC000122938992 495056342 /nfs/dbraw/zinc/05/63/42/495056342.db2.gz BIWDMYXZACMMGA-SFHVURJKSA-N 2 2 350.470 3.078 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccncc2)C1 ZINC000122938992 495056346 /nfs/dbraw/zinc/05/63/46/495056346.db2.gz BIWDMYXZACMMGA-SFHVURJKSA-N 2 2 350.470 3.078 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000135273707 495271015 /nfs/dbraw/zinc/27/10/15/495271015.db2.gz FWMHHMKOWPLYHW-CQSZACIVSA-N 2 2 359.380 3.184 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000135273707 495271021 /nfs/dbraw/zinc/27/10/21/495271021.db2.gz FWMHHMKOWPLYHW-CQSZACIVSA-N 2 2 359.380 3.184 10 0 FGAELP CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]CCc2cn3ccccc3[nH+]2)C1 ZINC000129971068 495321448 /nfs/dbraw/zinc/32/14/48/495321448.db2.gz AJNSXVQPDPJEMI-INIZCTEOSA-N 2 2 358.486 3.114 10 0 FGAELP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000130381713 495383035 /nfs/dbraw/zinc/38/30/35/495383035.db2.gz XOUBXCZWGKLKHJ-PXNSSMCTSA-N 2 2 371.550 3.126 10 0 FGAELP COCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000125272192 495417077 /nfs/dbraw/zinc/41/70/77/495417077.db2.gz DYVUVLQLXKWJHT-KSSFIOAISA-N 2 2 366.469 3.104 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@H](O)COc2c(C)ccc(C)c2C)C1 ZINC000106212263 495433341 /nfs/dbraw/zinc/43/33/41/495433341.db2.gz HSKTVBJPWHBAHN-UXHICEINSA-N 2 2 371.525 3.448 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@H](O)COc2c(C)ccc(C)c2C)C1 ZINC000106212263 495433343 /nfs/dbraw/zinc/43/33/43/495433343.db2.gz HSKTVBJPWHBAHN-UXHICEINSA-N 2 2 371.525 3.448 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCC(=O)N2CCc3ccccc32)C1 ZINC000106214491 495433553 /nfs/dbraw/zinc/43/35/53/495433553.db2.gz ZNWZCKZATSGJJJ-SFHVURJKSA-N 2 2 352.482 3.062 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCC(=O)N2CCc3ccccc32)C1 ZINC000106214491 495433559 /nfs/dbraw/zinc/43/35/59/495433559.db2.gz ZNWZCKZATSGJJJ-SFHVURJKSA-N 2 2 352.482 3.062 10 0 FGAELP CCOc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000106216748 495434959 /nfs/dbraw/zinc/43/49/59/495434959.db2.gz HJOXEKRTIMFQMF-INIZCTEOSA-N 2 2 356.470 3.120 10 0 FGAELP CCOc1ccccc1NC(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000106216748 495434961 /nfs/dbraw/zinc/43/49/61/495434961.db2.gz HJOXEKRTIMFQMF-INIZCTEOSA-N 2 2 356.470 3.120 10 0 FGAELP CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000151108565 495740017 /nfs/dbraw/zinc/74/00/17/495740017.db2.gz OGZKIRVLVNATKJ-UYAOXDASSA-N 2 2 366.509 3.253 10 0 FGAELP CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000151108565 495740025 /nfs/dbraw/zinc/74/00/25/495740025.db2.gz OGZKIRVLVNATKJ-UYAOXDASSA-N 2 2 366.509 3.253 10 0 FGAELP COc1ccccc1-c1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000174299984 495899771 /nfs/dbraw/zinc/89/97/71/495899771.db2.gz JIUGJPOKDRKMNU-FQEVSTJZSA-N 2 2 354.494 3.299 10 0 FGAELP C[C@@H]1CCc2ccccc2N1C(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171643833 495962577 /nfs/dbraw/zinc/96/25/77/495962577.db2.gz HYMKSBGRGHTZAO-QZTJIDSGSA-N 2 2 364.493 3.183 10 0 FGAELP C[C@@H]1CCc2ccccc2N1C(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171643833 495962580 /nfs/dbraw/zinc/96/25/80/495962580.db2.gz HYMKSBGRGHTZAO-QZTJIDSGSA-N 2 2 364.493 3.183 10 0 FGAELP CC(=O)c1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171644354 495963793 /nfs/dbraw/zinc/96/37/93/495963793.db2.gz IWSKZMYEYJELDD-NVXWUHKLSA-N 2 2 366.465 3.045 10 0 FGAELP CC(=O)c1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171644354 495963797 /nfs/dbraw/zinc/96/37/97/495963797.db2.gz IWSKZMYEYJELDD-NVXWUHKLSA-N 2 2 366.465 3.045 10 0 FGAELP C[C@@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171644565 495964727 /nfs/dbraw/zinc/96/47/27/495964727.db2.gz ISELZYACDTWXKQ-LSDHHAIUSA-N 2 2 358.873 3.496 10 0 FGAELP C[C@@H](C(=O)Nc1ccccc1Cl)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171644565 495964730 /nfs/dbraw/zinc/96/47/30/495964730.db2.gz ISELZYACDTWXKQ-LSDHHAIUSA-N 2 2 358.873 3.496 10 0 FGAELP Cc1ccccc1OC[C@H](O)C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180651779 496086837 /nfs/dbraw/zinc/08/68/37/496086837.db2.gz SBIXABHRCWGICX-YLJYHZDGSA-N 2 2 351.450 3.271 10 0 FGAELP Fc1ccc(Cn2cc(C[N@@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)cn2)cc1 ZINC000187123359 496302974 /nfs/dbraw/zinc/30/29/74/496302974.db2.gz CLSLJWMQXJQPDK-SFHVURJKSA-N 2 2 365.456 3.400 10 0 FGAELP Fc1ccc(Cn2cc(C[N@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)cn2)cc1 ZINC000187123359 496302979 /nfs/dbraw/zinc/30/29/79/496302979.db2.gz CLSLJWMQXJQPDK-SFHVURJKSA-N 2 2 365.456 3.400 10 0 FGAELP CCOc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178334446 496416057 /nfs/dbraw/zinc/41/60/57/496416057.db2.gz PNJVPOXMQXKBQX-DOTOQJQBSA-N 2 2 356.470 3.082 10 0 FGAELP CCOc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178334446 496416062 /nfs/dbraw/zinc/41/60/62/496416062.db2.gz PNJVPOXMQXKBQX-DOTOQJQBSA-N 2 2 356.470 3.082 10 0 FGAELP COc1ccc(Br)c(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)c1 ZINC000185223661 496710320 /nfs/dbraw/zinc/71/03/20/496710320.db2.gz AVYMZXBJLYVSCN-AWEZNQCLSA-N 2 2 350.260 3.319 10 0 FGAELP COc1ccc(Br)c(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)c1 ZINC000185223661 496710325 /nfs/dbraw/zinc/71/03/25/496710325.db2.gz AVYMZXBJLYVSCN-AWEZNQCLSA-N 2 2 350.260 3.319 10 0 FGAELP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000247284204 496824060 /nfs/dbraw/zinc/82/40/60/496824060.db2.gz KLIPWSNPWPOPTH-QZTJIDSGSA-N 2 2 369.513 3.210 10 0 FGAELP CC(C)C[N@H+]1CC[C@H](CNC(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000247284204 496824065 /nfs/dbraw/zinc/82/40/65/496824065.db2.gz KLIPWSNPWPOPTH-QZTJIDSGSA-N 2 2 369.513 3.210 10 0 FGAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](C[C@](C)(O)c2ccccc2)C1 ZINC000195266075 496869375 /nfs/dbraw/zinc/86/93/75/496869375.db2.gz AWNRCBSFGCJXOZ-XLIONFOSSA-N 2 2 359.539 3.113 10 0 FGAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](C[C@](C)(O)c2ccccc2)C1 ZINC000195266075 496869382 /nfs/dbraw/zinc/86/93/82/496869382.db2.gz AWNRCBSFGCJXOZ-XLIONFOSSA-N 2 2 359.539 3.113 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](C[C@](C)(O)c2ccccc2)C1 ZINC000195266075 496869385 /nfs/dbraw/zinc/86/93/85/496869385.db2.gz AWNRCBSFGCJXOZ-XLIONFOSSA-N 2 2 359.539 3.113 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](C[C@](C)(O)c2ccccc2)C1 ZINC000195266075 496869391 /nfs/dbraw/zinc/86/93/91/496869391.db2.gz AWNRCBSFGCJXOZ-XLIONFOSSA-N 2 2 359.539 3.113 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(F)cc2F)C1 ZINC000247578724 496892412 /nfs/dbraw/zinc/89/24/12/496892412.db2.gz IDGZDIJWENVNCM-HIFRSBDPSA-N 2 2 362.424 3.388 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc(F)cc2F)C1 ZINC000247578724 496892414 /nfs/dbraw/zinc/89/24/14/496892414.db2.gz IDGZDIJWENVNCM-HIFRSBDPSA-N 2 2 362.424 3.388 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NCc2ccc(C)cc2)C1 ZINC000247590172 496893620 /nfs/dbraw/zinc/89/36/20/496893620.db2.gz JNWYTLXEFAQMMS-IEBWSBKVSA-N 2 2 354.498 3.096 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)NCc2ccc(C)cc2)C1 ZINC000247590172 496893621 /nfs/dbraw/zinc/89/36/21/496893621.db2.gz JNWYTLXEFAQMMS-IEBWSBKVSA-N 2 2 354.498 3.096 10 0 FGAELP CCO[C@@H]1C[C@@H]([NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)C12CCOCC2 ZINC000249024751 497151782 /nfs/dbraw/zinc/15/17/82/497151782.db2.gz RJJAUTLEKWBJGI-NJDAHSKKSA-N 2 2 358.526 3.387 10 0 FGAELP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)C12CCOCC2 ZINC000249066368 497157766 /nfs/dbraw/zinc/15/77/66/497157766.db2.gz ZNCLTHSRNOZLAR-DUXKGJEZSA-N 2 2 373.541 3.171 10 0 FGAELP O[C@@H](C[NH2+][C@H]1CCSc2c(F)cccc21)C[N@@H+]1CCc2ccccc2C1 ZINC000253358013 497327609 /nfs/dbraw/zinc/32/76/09/497327609.db2.gz KCKNQGOBFGXKAY-PXNSSMCTSA-N 2 2 372.509 3.371 10 0 FGAELP O[C@@H](C[NH2+][C@H]1CCSc2c(F)cccc21)C[N@H+]1CCc2ccccc2C1 ZINC000253358013 497327610 /nfs/dbraw/zinc/32/76/10/497327610.db2.gz KCKNQGOBFGXKAY-PXNSSMCTSA-N 2 2 372.509 3.371 10 0 FGAELP Cc1ccccc1Cc1noc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)n1 ZINC000261638269 497425012 /nfs/dbraw/zinc/42/50/12/497425012.db2.gz FLHHNWUIXSRUPN-UXHICEINSA-N 2 2 362.477 3.143 10 0 FGAELP Cc1ccccc1Cc1noc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)n1 ZINC000261638269 497425017 /nfs/dbraw/zinc/42/50/17/497425017.db2.gz FLHHNWUIXSRUPN-UXHICEINSA-N 2 2 362.477 3.143 10 0 FGAELP COc1cc2c(c(C[N@@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)c1)O[C@@H](C)C2 ZINC000245573032 497463005 /nfs/dbraw/zinc/46/30/05/497463005.db2.gz YQPXFWKTZKPUET-HOTGVXAUSA-N 2 2 353.466 3.348 10 0 FGAELP COc1cc2c(c(C[N@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)c1)O[C@@H](C)C2 ZINC000245573032 497463008 /nfs/dbraw/zinc/46/30/08/497463008.db2.gz YQPXFWKTZKPUET-HOTGVXAUSA-N 2 2 353.466 3.348 10 0 FGAELP Cc1cccn2cc(COc3ccc(C[N@H+]4C[C@H](C)[C@H]([NH3+])C4)cc3)nc12 ZINC000262070088 497503395 /nfs/dbraw/zinc/50/33/95/497503395.db2.gz RZUWQCLKSIDYTH-OXJNMPFZSA-N 2 2 350.466 3.001 10 0 FGAELP Cc1cccn2cc(COc3ccc(C[N@@H+]4C[C@H](C)[C@H]([NH3+])C4)cc3)nc12 ZINC000262070088 497503401 /nfs/dbraw/zinc/50/34/01/497503401.db2.gz RZUWQCLKSIDYTH-OXJNMPFZSA-N 2 2 350.466 3.001 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2Cl)C1 ZINC000246224468 497667973 /nfs/dbraw/zinc/66/79/73/497667973.db2.gz BSDRGHOTZRVRAY-HZPDHXFCSA-N 2 2 363.889 3.176 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2Cl)C1 ZINC000246224468 497667979 /nfs/dbraw/zinc/66/79/79/497667979.db2.gz BSDRGHOTZRVRAY-HZPDHXFCSA-N 2 2 363.889 3.176 10 0 FGAELP C[C@H]1CN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)C[C@H]1[NH+]1CCOCC1 ZINC000301772536 498257687 /nfs/dbraw/zinc/25/76/87/498257687.db2.gz FAIFHJXRCGLCOJ-SCLBCKFNSA-N 2 2 365.399 3.411 10 0 FGAELP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2csc(C(C)(C)C)n2)nc[nH+]1 ZINC000109070372 700529917 /nfs/dbraw/zinc/52/99/17/700529917.db2.gz MALBXMXUUPGLSN-AWEZNQCLSA-N 2 2 360.531 3.031 10 0 FGAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2cc(Cl)ccc2O)nc[nH+]1 ZINC000185992172 712706506 /nfs/dbraw/zinc/70/65/06/712706506.db2.gz KADCMPMQVPGZPE-TZMCWYRMSA-N 2 2 361.877 3.197 10 0 FGAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC000190445300 257368185 /nfs/dbraw/zinc/36/81/85/257368185.db2.gz RXDZDDQGDBGVQC-HNNXBMFYSA-N 2 2 357.527 3.386 10 0 FGAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC000190445300 257368187 /nfs/dbraw/zinc/36/81/87/257368187.db2.gz RXDZDDQGDBGVQC-HNNXBMFYSA-N 2 2 357.527 3.386 10 0 FGAELP CCCOc1cccc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1 ZINC000121225309 494654149 /nfs/dbraw/zinc/65/41/49/494654149.db2.gz XVGAQHZSZCYVPV-UHFFFAOYSA-N 2 2 356.514 3.268 10 0 FGAELP CCCOc1cccc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1 ZINC000121225309 494654158 /nfs/dbraw/zinc/65/41/58/494654158.db2.gz XVGAQHZSZCYVPV-UHFFFAOYSA-N 2 2 356.514 3.268 10 0 FGAELP C[C@H](NC(=O)NCC[N@@H+]1CCCC[C@@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000080634756 494752509 /nfs/dbraw/zinc/75/25/09/494752509.db2.gz YRULHFXABSFUIE-IRXDYDNUSA-N 2 2 355.486 3.107 10 0 FGAELP C[C@H](NC(=O)NCC[N@H+]1CCCC[C@@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000080634756 494752515 /nfs/dbraw/zinc/75/25/15/494752515.db2.gz YRULHFXABSFUIE-IRXDYDNUSA-N 2 2 355.486 3.107 10 0 FGAELP COc1cc(OC)c(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c(OC)c1 ZINC000092812774 494758834 /nfs/dbraw/zinc/75/88/34/494758834.db2.gz JGPKSCFHTDYKTR-OAHLLOKOSA-N 2 2 357.454 3.041 10 0 FGAELP COc1cc(OC)c(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c(OC)c1 ZINC000092812774 494758841 /nfs/dbraw/zinc/75/88/41/494758841.db2.gz JGPKSCFHTDYKTR-OAHLLOKOSA-N 2 2 357.454 3.041 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC000109284835 494854741 /nfs/dbraw/zinc/85/47/41/494854741.db2.gz LIWRXQDKKIVXRH-ICSRJNTNSA-N 2 2 354.498 3.302 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC000109284835 494854742 /nfs/dbraw/zinc/85/47/42/494854742.db2.gz LIWRXQDKKIVXRH-ICSRJNTNSA-N 2 2 354.498 3.302 10 0 FGAELP CCc1ccc([C@@H]2CCCC[N@@H+]2Cc2cnc(N3CC[NH+](C)CC3)nc2)o1 ZINC000093459127 494894360 /nfs/dbraw/zinc/89/43/60/494894360.db2.gz QRHZOBSXFWYJOZ-IBGZPJMESA-N 2 2 369.513 3.111 10 0 FGAELP CCc1ccc([C@@H]2CCCC[N@H+]2Cc2cnc(N3CC[NH+](C)CC3)nc2)o1 ZINC000093459127 494894363 /nfs/dbraw/zinc/89/43/63/494894363.db2.gz QRHZOBSXFWYJOZ-IBGZPJMESA-N 2 2 369.513 3.111 10 0 FGAELP CCOCC[N@@H+]1CCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)C[C@@H]1C ZINC000117278042 494907285 /nfs/dbraw/zinc/90/72/85/494907285.db2.gz KCGJZVQXCNDGLP-KRWDZBQOSA-N 2 2 369.465 3.057 10 0 FGAELP CCOCC[N@H+]1CCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)C[C@@H]1C ZINC000117278042 494907287 /nfs/dbraw/zinc/90/72/87/494907287.db2.gz KCGJZVQXCNDGLP-KRWDZBQOSA-N 2 2 369.465 3.057 10 0 FGAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000132997180 494954734 /nfs/dbraw/zinc/95/47/34/494954734.db2.gz FMBSNDLSKPXOGS-XJKSGUPXSA-N 2 2 368.319 3.240 10 0 FGAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000132997180 494954738 /nfs/dbraw/zinc/95/47/38/494954738.db2.gz FMBSNDLSKPXOGS-XJKSGUPXSA-N 2 2 368.319 3.240 10 0 FGAELP C[N@H+](CCSc1ccccc1F)C1CC[NH+](CCn2cccn2)CC1 ZINC000106130253 495418065 /nfs/dbraw/zinc/41/80/65/495418065.db2.gz FVMDUNBKNJHFQI-UHFFFAOYSA-N 2 2 362.518 3.211 10 0 FGAELP C[N@@H+](CCSc1ccccc1F)C1CC[NH+](CCn2cccn2)CC1 ZINC000106130253 495418068 /nfs/dbraw/zinc/41/80/68/495418068.db2.gz FVMDUNBKNJHFQI-UHFFFAOYSA-N 2 2 362.518 3.211 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@H](O)COc2c(C)cccc2C)C1 ZINC000106214305 495433067 /nfs/dbraw/zinc/43/30/67/495433067.db2.gz XTPNHOIFAKOMMU-MOPGFXCFSA-N 2 2 357.498 3.139 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@H](O)COc2c(C)cccc2C)C1 ZINC000106214305 495433072 /nfs/dbraw/zinc/43/30/72/495433072.db2.gz XTPNHOIFAKOMMU-MOPGFXCFSA-N 2 2 357.498 3.139 10 0 FGAELP C[N@H+](Cc1nc2ccccc2s1)C1CC[NH+](CCn2cccn2)CC1 ZINC000170942388 495660976 /nfs/dbraw/zinc/66/09/76/495660976.db2.gz PHZMQHQWLISFSR-UHFFFAOYSA-N 2 2 355.511 3.089 10 0 FGAELP C[N@@H+](Cc1nc2ccccc2s1)C1CC[NH+](CCn2cccn2)CC1 ZINC000170942388 495660977 /nfs/dbraw/zinc/66/09/77/495660977.db2.gz PHZMQHQWLISFSR-UHFFFAOYSA-N 2 2 355.511 3.089 10 0 FGAELP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(F)cc1Br ZINC000151275007 495790453 /nfs/dbraw/zinc/79/04/53/495790453.db2.gz QFDUPVBCBVGNDY-TZMCWYRMSA-N 2 2 359.283 3.086 10 0 FGAELP O[C@H](C[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21)C[NH+]1CCCCC1 ZINC000151348678 495811593 /nfs/dbraw/zinc/81/15/93/495811593.db2.gz TVLPYKRPYBKJFY-RHSMWYFYSA-N 2 2 358.404 3.009 10 0 FGAELP CCO[C@H]1C[C@@H]([NH2+]CCCn2c(C)[nH+]c3ccccc32)C12CCOCC2 ZINC000186207672 495896293 /nfs/dbraw/zinc/89/62/93/495896293.db2.gz XRKSNIDXRIEVLW-UXHICEINSA-N 2 2 357.498 3.299 10 0 FGAELP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000151775499 495943430 /nfs/dbraw/zinc/94/34/30/495943430.db2.gz RQFZCMJNUSUZHC-UNMCSNQZSA-N 2 2 366.505 3.218 10 0 FGAELP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1C ZINC000171643379 495962698 /nfs/dbraw/zinc/96/26/98/495962698.db2.gz LQXBWCDZPVBJDW-ZWKOTPCHSA-N 2 2 352.482 3.459 10 0 FGAELP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1C ZINC000171643379 495962701 /nfs/dbraw/zinc/96/27/01/495962701.db2.gz LQXBWCDZPVBJDW-ZWKOTPCHSA-N 2 2 352.482 3.459 10 0 FGAELP CCOc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171644632 495964212 /nfs/dbraw/zinc/96/42/12/495964212.db2.gz SLCANKPSBWDWPW-DLBZAZTESA-N 2 2 368.481 3.241 10 0 FGAELP CCOc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171644632 495964218 /nfs/dbraw/zinc/96/42/18/495964218.db2.gz SLCANKPSBWDWPW-DLBZAZTESA-N 2 2 368.481 3.241 10 0 FGAELP Cc1cc(C(=O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c(C)n1C1CC1 ZINC000171644459 495964680 /nfs/dbraw/zinc/96/46/80/495964680.db2.gz WCUWLQNPIMRWCY-KRWDZBQOSA-N 2 2 352.482 3.452 10 0 FGAELP Cc1cc(C(=O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c(C)n1C1CC1 ZINC000171644459 495964682 /nfs/dbraw/zinc/96/46/82/495964682.db2.gz WCUWLQNPIMRWCY-KRWDZBQOSA-N 2 2 352.482 3.452 10 0 FGAELP CCc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171647232 495965978 /nfs/dbraw/zinc/96/59/78/495965978.db2.gz TWVOSMJCFVKPIM-SJLPKXTDSA-N 2 2 352.482 3.405 10 0 FGAELP CCc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171647232 495965984 /nfs/dbraw/zinc/96/59/84/495965984.db2.gz TWVOSMJCFVKPIM-SJLPKXTDSA-N 2 2 352.482 3.405 10 0 FGAELP CCO[C@H]1C[C@@H]([NH2+]Cc2c[nH+]c(C)n2-c2ccccc2)C12CCOCC2 ZINC000186365833 495967029 /nfs/dbraw/zinc/96/70/29/495967029.db2.gz LSXOORHYSNJKLV-UXHICEINSA-N 2 2 355.482 3.245 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccccc3C)C2)[nH+]1 ZINC000171652155 495969996 /nfs/dbraw/zinc/96/99/96/495969996.db2.gz YOSHCBXZKMCSNG-ZWKOTPCHSA-N 2 2 352.482 3.459 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccccc3C)C2)[nH+]1 ZINC000171652155 495970002 /nfs/dbraw/zinc/97/00/02/495970002.db2.gz YOSHCBXZKMCSNG-ZWKOTPCHSA-N 2 2 352.482 3.459 10 0 FGAELP CCN(C(=O)C[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1)c1ccccc1 ZINC000171651406 495970829 /nfs/dbraw/zinc/97/08/29/495970829.db2.gz NKSGJDRMINBVIY-GOSISDBHSA-N 2 2 352.482 3.177 10 0 FGAELP CCN(C(=O)C[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1)c1ccccc1 ZINC000171651406 495970836 /nfs/dbraw/zinc/97/08/36/495970836.db2.gz NKSGJDRMINBVIY-GOSISDBHSA-N 2 2 352.482 3.177 10 0 FGAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2cnc3ccsc3c2)nc[nH+]1 ZINC000180569061 496048911 /nfs/dbraw/zinc/04/89/11/496048911.db2.gz VPCHZGFJFUSXJQ-UKRRQHHQSA-N 2 2 368.510 3.448 10 0 FGAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2cc(F)c(F)c(F)c2)nc[nH+]1 ZINC000180575066 496051623 /nfs/dbraw/zinc/05/16/23/496051623.db2.gz QIXKVNSZDVIRKC-WCQYABFASA-N 2 2 365.403 3.255 10 0 FGAELP C[C@H]([NH2+]CC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180655540 496089583 /nfs/dbraw/zinc/08/95/83/496089583.db2.gz LETWNBURIUZXKE-PDOICOKGSA-N 2 2 354.498 3.464 10 0 FGAELP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)Cn3c4ccccc4[nH+]c3C3CCCCC3)C[C@@H]12 ZINC000186938506 496220344 /nfs/dbraw/zinc/22/03/44/496220344.db2.gz ULKPBPNQKFRWPX-KZNAEPCWSA-N 2 2 366.509 3.280 10 0 FGAELP CCOc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000247085354 496775357 /nfs/dbraw/zinc/77/53/57/496775357.db2.gz PNJVPOXMQXKBQX-WBVHZDCISA-N 2 2 356.470 3.082 10 0 FGAELP CCOc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000247085354 496775361 /nfs/dbraw/zinc/77/53/61/496775361.db2.gz PNJVPOXMQXKBQX-WBVHZDCISA-N 2 2 356.470 3.082 10 0 FGAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCCOc2ccc(F)cc2)C1 ZINC000195285686 496876347 /nfs/dbraw/zinc/87/63/47/496876347.db2.gz SSRSFSGSUSZVEZ-IBGZPJMESA-N 2 2 357.473 3.444 10 0 FGAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCCOc2ccc(F)cc2)C1 ZINC000195285686 496876349 /nfs/dbraw/zinc/87/63/49/496876349.db2.gz SSRSFSGSUSZVEZ-IBGZPJMESA-N 2 2 357.473 3.444 10 0 FGAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CCCOc2ccc(F)cc2)C1 ZINC000195285686 496876351 /nfs/dbraw/zinc/87/63/51/496876351.db2.gz SSRSFSGSUSZVEZ-IBGZPJMESA-N 2 2 357.473 3.444 10 0 FGAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CCCOc2ccc(F)cc2)C1 ZINC000195285686 496876352 /nfs/dbraw/zinc/87/63/52/496876352.db2.gz SSRSFSGSUSZVEZ-IBGZPJMESA-N 2 2 357.473 3.444 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(F)cc2F)C1 ZINC000247578728 496892131 /nfs/dbraw/zinc/89/21/31/496892131.db2.gz IDGZDIJWENVNCM-UKRRQHHQSA-N 2 2 362.424 3.388 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc(F)cc2F)C1 ZINC000247578728 496892138 /nfs/dbraw/zinc/89/21/38/496892138.db2.gz IDGZDIJWENVNCM-UKRRQHHQSA-N 2 2 362.424 3.388 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(C(C)=O)cc2)C1 ZINC000247771414 496913913 /nfs/dbraw/zinc/91/39/13/496913913.db2.gz PFUHMZOYNYLHQD-BEFAXECRSA-N 2 2 368.481 3.312 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc(C(C)=O)cc2)C1 ZINC000247771414 496913914 /nfs/dbraw/zinc/91/39/14/496913914.db2.gz PFUHMZOYNYLHQD-BEFAXECRSA-N 2 2 368.481 3.312 10 0 FGAELP Cc1nc(C[C@H]2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3C)C2)no1 ZINC000191991346 496955725 /nfs/dbraw/zinc/95/57/25/496955725.db2.gz ZWPGQCHZWPGXAY-QGZVFWFLSA-N 2 2 351.454 3.327 10 0 FGAELP Cc1nc(C[C@H]2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3C)C2)no1 ZINC000191991346 496955728 /nfs/dbraw/zinc/95/57/28/496955728.db2.gz ZWPGQCHZWPGXAY-QGZVFWFLSA-N 2 2 351.454 3.327 10 0 FGAELP CC(C)c1nc(N2CCC[C@H]([N@H+](C)CC(=O)OC(C)(C)C)CC2)cc[nH+]1 ZINC000192268248 497055653 /nfs/dbraw/zinc/05/56/53/497055653.db2.gz ORQXHQJOPYNXHM-INIZCTEOSA-N 2 2 362.518 3.232 10 0 FGAELP CC(C)c1nc(N2CCC[C@H]([N@@H+](C)CC(=O)OC(C)(C)C)CC2)cc[nH+]1 ZINC000192268248 497055659 /nfs/dbraw/zinc/05/56/59/497055659.db2.gz ORQXHQJOPYNXHM-INIZCTEOSA-N 2 2 362.518 3.232 10 0 FGAELP C[C@H]([NH2+]C[C@@H](O)COc1ccccc1F)c1cccc(-n2cc[nH+]c2)c1 ZINC000189888053 497280692 /nfs/dbraw/zinc/28/06/92/497280692.db2.gz VRUQBVMURFRLIU-MAUKXSAKSA-N 2 2 355.413 3.102 10 0 FGAELP CC(C)c1nnc(NC(=O)C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)s1 ZINC000189911129 497290336 /nfs/dbraw/zinc/29/03/36/497290336.db2.gz AURJONQLPXZXCM-CYBMUJFWSA-N 2 2 370.482 3.137 10 0 FGAELP CCc1nc2n(n1)CCC[C@H]2[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245658253 497491247 /nfs/dbraw/zinc/49/12/47/497491247.db2.gz FCFRWYLIQKWNEG-IYWMVGAKSA-N 2 2 365.525 3.461 10 0 FGAELP CCc1nc2n(n1)CCC[C@H]2[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245658253 497491251 /nfs/dbraw/zinc/49/12/51/497491251.db2.gz FCFRWYLIQKWNEG-IYWMVGAKSA-N 2 2 365.525 3.461 10 0 FGAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000190474151 497494534 /nfs/dbraw/zinc/49/45/34/497494534.db2.gz LZEHGDHRTGGGRN-IBGZPJMESA-N 2 2 361.493 3.426 10 0 FGAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000190474151 497494535 /nfs/dbraw/zinc/49/45/35/497494535.db2.gz LZEHGDHRTGGGRN-IBGZPJMESA-N 2 2 361.493 3.426 10 0 FGAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000190474151 497494537 /nfs/dbraw/zinc/49/45/37/497494537.db2.gz LZEHGDHRTGGGRN-IBGZPJMESA-N 2 2 361.493 3.426 10 0 FGAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000190474151 497494538 /nfs/dbraw/zinc/49/45/38/497494538.db2.gz LZEHGDHRTGGGRN-IBGZPJMESA-N 2 2 361.493 3.426 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@H]2CN(c3ccccc3)C(=O)O2)C1 ZINC000246498609 497754642 /nfs/dbraw/zinc/75/46/42/497754642.db2.gz AWWHEFSFOFSXOF-ROUUACIJSA-N 2 2 354.454 3.108 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@H]2CN(c3ccccc3)C(=O)O2)C1 ZINC000246498609 497754648 /nfs/dbraw/zinc/75/46/48/497754648.db2.gz AWWHEFSFOFSXOF-ROUUACIJSA-N 2 2 354.454 3.108 10 0 FGAELP CC(C)[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)c2ccc(OCc3nccn3C)cc2)C1 ZINC000246507733 497757892 /nfs/dbraw/zinc/75/78/92/497757892.db2.gz SZVXFKHQBQAMNL-ABSDTBQOSA-N 2 2 356.514 3.378 10 0 FGAELP CC(C)[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)c2ccc(OCc3nccn3C)cc2)C1 ZINC000246507733 497757895 /nfs/dbraw/zinc/75/78/95/497757895.db2.gz SZVXFKHQBQAMNL-ABSDTBQOSA-N 2 2 356.514 3.378 10 0 FGAELP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000246549544 497772004 /nfs/dbraw/zinc/77/20/04/497772004.db2.gz QVVZELKMHYWGGT-MSOLQXFVSA-N 2 2 353.470 3.178 10 0 FGAELP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000246549544 497772005 /nfs/dbraw/zinc/77/20/05/497772005.db2.gz QVVZELKMHYWGGT-MSOLQXFVSA-N 2 2 353.470 3.178 10 0 FGAELP CCn1nc(C)c([C@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1C ZINC000390893319 499556085 /nfs/dbraw/zinc/55/60/85/499556085.db2.gz BLIWTUDAHMKVFR-LAUBAEHRSA-N 2 2 370.541 3.462 10 0 FGAELP CCn1nc(C)c([C@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1C ZINC000390893319 499556086 /nfs/dbraw/zinc/55/60/86/499556086.db2.gz BLIWTUDAHMKVFR-LAUBAEHRSA-N 2 2 370.541 3.462 10 0 FGAELP CC(C)(C)OC(=O)NC1CC(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)C1 ZINC000711386858 722413958 /nfs/dbraw/zinc/41/39/58/722413958.db2.gz WSEBEPLKUANRQR-UYSNPLJNSA-N 2 2 350.507 3.191 10 0 FGAELP Cc1ccccc1[C@H]1CC[N@@H+](CC[NH2+]C2CCN(C(=O)C(C)C)CC2)C1 ZINC000065407047 494193773 /nfs/dbraw/zinc/19/37/73/494193773.db2.gz DQPPRVOMBVQVIO-IBGZPJMESA-N 2 2 357.542 3.021 10 0 FGAELP Cc1ccccc1[C@H]1CC[N@H+](CC[NH2+]C2CCN(C(=O)C(C)C)CC2)C1 ZINC000065407047 494193776 /nfs/dbraw/zinc/19/37/76/494193776.db2.gz DQPPRVOMBVQVIO-IBGZPJMESA-N 2 2 357.542 3.021 10 0 FGAELP CC(C)[C@@H](CNC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1)[NH+]1CCCC1 ZINC000074102497 494481688 /nfs/dbraw/zinc/48/16/88/494481688.db2.gz NLBUIIKPFOXELD-YLJYHZDGSA-N 2 2 369.513 3.353 10 0 FGAELP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000074104153 494482554 /nfs/dbraw/zinc/48/25/54/494482554.db2.gz CKDPZFJQAGROQB-ZWKOTPCHSA-N 2 2 369.513 3.353 10 0 FGAELP CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000074104153 494482556 /nfs/dbraw/zinc/48/25/56/494482556.db2.gz CKDPZFJQAGROQB-ZWKOTPCHSA-N 2 2 369.513 3.353 10 0 FGAELP C[NH+](C)[C@H]1CCN(C(=O)Cn2c3ccccc3[nH+]c2C2CCCCC2)C1 ZINC000126832664 494846346 /nfs/dbraw/zinc/84/63/46/494846346.db2.gz CZAOCEZHTDZKSG-KRWDZBQOSA-N 2 2 354.498 3.247 10 0 FGAELP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1)C2 ZINC000112666473 495219335 /nfs/dbraw/zinc/21/93/35/495219335.db2.gz HXYBAWPRNXMLON-FQEVSTJZSA-N 2 2 366.509 3.093 10 0 FGAELP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)C2 ZINC000112666473 495219339 /nfs/dbraw/zinc/21/93/39/495219339.db2.gz HXYBAWPRNXMLON-FQEVSTJZSA-N 2 2 366.509 3.093 10 0 FGAELP CCOc1ccccc1NC(=O)CC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000136957006 495412402 /nfs/dbraw/zinc/41/24/02/495412402.db2.gz GXSNHLNGHOCSEV-KRWDZBQOSA-N 2 2 368.481 3.243 10 0 FGAELP CCOc1ccccc1NC(=O)CC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000136957006 495412405 /nfs/dbraw/zinc/41/24/05/495412405.db2.gz GXSNHLNGHOCSEV-KRWDZBQOSA-N 2 2 368.481 3.243 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N2CCCc3ccccc32)C1 ZINC000106217066 495434612 /nfs/dbraw/zinc/43/46/12/495434612.db2.gz RCTHZGUXYAETKE-HKUYNNGSSA-N 2 2 366.509 3.450 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)N2CCCc3ccccc32)C1 ZINC000106217066 495434615 /nfs/dbraw/zinc/43/46/15/495434615.db2.gz RCTHZGUXYAETKE-HKUYNNGSSA-N 2 2 366.509 3.450 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)Nc2cc(C(C)(C)C)no2)C1 ZINC000106215567 495435047 /nfs/dbraw/zinc/43/50/47/495435047.db2.gz LWGDYDIBMXCXNB-AWEZNQCLSA-N 2 2 359.474 3.007 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)Nc2cc(C(C)(C)C)no2)C1 ZINC000106215567 495435050 /nfs/dbraw/zinc/43/50/50/495435050.db2.gz LWGDYDIBMXCXNB-AWEZNQCLSA-N 2 2 359.474 3.007 10 0 FGAELP C[C@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171644206 495962473 /nfs/dbraw/zinc/96/24/73/495962473.db2.gz NYJNLMUDLOFYEC-ZIAGYGMSSA-N 2 2 360.408 3.121 10 0 FGAELP C[C@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171644206 495962475 /nfs/dbraw/zinc/96/24/75/495962475.db2.gz NYJNLMUDLOFYEC-ZIAGYGMSSA-N 2 2 360.408 3.121 10 0 FGAELP Cc1cc(C)cc(NC(=O)C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)c1 ZINC000171653388 495972813 /nfs/dbraw/zinc/97/28/13/495972813.db2.gz AOSNSJBHCZJHCC-SFHVURJKSA-N 2 2 352.482 3.379 10 0 FGAELP Cc1cc(C)cc(NC(=O)C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)c1 ZINC000171653388 495972819 /nfs/dbraw/zinc/97/28/19/495972819.db2.gz AOSNSJBHCZJHCC-SFHVURJKSA-N 2 2 352.482 3.379 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)Nc2nc3ccccc3s2)C1 ZINC000171930415 496096304 /nfs/dbraw/zinc/09/63/04/496096304.db2.gz ZRYAWJIGQPZPBZ-AWEZNQCLSA-N 2 2 369.494 3.331 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)Nc2nc3ccccc3s2)C1 ZINC000171930415 496096307 /nfs/dbraw/zinc/09/63/07/496096307.db2.gz ZRYAWJIGQPZPBZ-AWEZNQCLSA-N 2 2 369.494 3.331 10 0 FGAELP C[C@@H](NC(=O)C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1cccs1 ZINC000180671733 496098227 /nfs/dbraw/zinc/09/82/27/496098227.db2.gz XBJZVKOLLOYOPK-LSDHHAIUSA-N 2 2 354.479 3.462 10 0 FGAELP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@H]2c3ccccc3CCC2(C)C)CC1 ZINC000152998870 496320690 /nfs/dbraw/zinc/32/06/90/496320690.db2.gz WCMJUUPZGGHMFT-FQEVSTJZSA-N 2 2 372.557 3.025 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000178284205 496398450 /nfs/dbraw/zinc/39/84/50/496398450.db2.gz XLOIAFREQBPPEN-JAXLGGSGSA-N 2 2 369.509 3.111 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000178284205 496398457 /nfs/dbraw/zinc/39/84/57/496398457.db2.gz XLOIAFREQBPPEN-JAXLGGSGSA-N 2 2 369.509 3.111 10 0 FGAELP COC(=O)[C@H](c1ccccc1F)[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000173278413 496624011 /nfs/dbraw/zinc/62/40/11/496624011.db2.gz JTHBFKUJMWZBFH-BEFAXECRSA-N 2 2 357.429 3.177 10 0 FGAELP COC(=O)[C@H](c1ccccc1F)[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000173278413 496624015 /nfs/dbraw/zinc/62/40/15/496624015.db2.gz JTHBFKUJMWZBFH-BEFAXECRSA-N 2 2 357.429 3.177 10 0 FGAELP CCN(Cc1ccccc1)C(=O)[C@H](C)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000247375635 496846589 /nfs/dbraw/zinc/84/65/89/496846589.db2.gz OGZKIRVLVNATKJ-ICSRJNTNSA-N 2 2 366.509 3.253 10 0 FGAELP CCN(Cc1ccccc1)C(=O)[C@H](C)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000247375635 496846593 /nfs/dbraw/zinc/84/65/93/496846593.db2.gz OGZKIRVLVNATKJ-ICSRJNTNSA-N 2 2 366.509 3.253 10 0 FGAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2nc3cc(F)ccc3o2)C1 ZINC000195299849 496881576 /nfs/dbraw/zinc/88/15/76/496881576.db2.gz MIGRAANVFHDHSO-INIZCTEOSA-N 2 2 354.429 3.316 10 0 FGAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2nc3cc(F)ccc3o2)C1 ZINC000195299849 496881578 /nfs/dbraw/zinc/88/15/78/496881578.db2.gz MIGRAANVFHDHSO-INIZCTEOSA-N 2 2 354.429 3.316 10 0 FGAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](Cc2nc3cc(F)ccc3o2)C1 ZINC000195299849 496881581 /nfs/dbraw/zinc/88/15/81/496881581.db2.gz MIGRAANVFHDHSO-INIZCTEOSA-N 2 2 354.429 3.316 10 0 FGAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](Cc2nc3cc(F)ccc3o2)C1 ZINC000195299849 496881584 /nfs/dbraw/zinc/88/15/84/496881584.db2.gz MIGRAANVFHDHSO-INIZCTEOSA-N 2 2 354.429 3.316 10 0 FGAELP O=C1[C@H]([N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)CCN1c1ccccc1Cl ZINC000247737158 496910868 /nfs/dbraw/zinc/91/08/68/496910868.db2.gz VZUMKDVVGGKSKS-MAUKXSAKSA-N 2 2 370.884 3.274 10 0 FGAELP O=C1[C@H]([N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)CCN1c1ccccc1Cl ZINC000247737158 496910871 /nfs/dbraw/zinc/91/08/71/496910871.db2.gz VZUMKDVVGGKSKS-MAUKXSAKSA-N 2 2 370.884 3.274 10 0 FGAELP Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000248398681 496996328 /nfs/dbraw/zinc/99/63/28/496996328.db2.gz JDUWSTDCQXFEPZ-MHTWAQMVSA-N 2 2 365.525 3.312 10 0 FGAELP Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000248398681 496996331 /nfs/dbraw/zinc/99/63/31/496996331.db2.gz JDUWSTDCQXFEPZ-MHTWAQMVSA-N 2 2 365.525 3.312 10 0 FGAELP CC[N@H+](CC(=O)OC(C)(C)C)C1CCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC000192242027 497045578 /nfs/dbraw/zinc/04/55/78/497045578.db2.gz BTYSPMCVQCHTQC-UHFFFAOYSA-N 2 2 374.529 3.295 10 0 FGAELP CC[N@@H+](CC(=O)OC(C)(C)C)C1CCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC000192242027 497045580 /nfs/dbraw/zinc/04/55/80/497045580.db2.gz BTYSPMCVQCHTQC-UHFFFAOYSA-N 2 2 374.529 3.295 10 0 FGAELP C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1nnnn1-c1ccccc1 ZINC000189917425 497292014 /nfs/dbraw/zinc/29/20/14/497292014.db2.gz ZLRNBCRCOXTXBG-JKSUJKDBSA-N 2 2 359.437 3.260 10 0 FGAELP C(=C\C[N@@H+]1CCCC[C@H]1c1cn[nH]c1)\C[NH+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000255514081 497368560 /nfs/dbraw/zinc/36/85/60/497368560.db2.gz XHMCFEBFWBQFIY-GGJLBNBESA-N 2 2 354.502 3.443 10 0 FGAELP C(=C\C[N@H+]1CCCC[C@H]1c1cn[nH]c1)\C[NH+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000255514081 497368564 /nfs/dbraw/zinc/36/85/64/497368564.db2.gz XHMCFEBFWBQFIY-GGJLBNBESA-N 2 2 354.502 3.443 10 0 FGAELP C(=C\C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1)\C[NH+]1CCCC[C@H]1c1cn[nH]c1 ZINC000255514081 497368569 /nfs/dbraw/zinc/36/85/69/497368569.db2.gz XHMCFEBFWBQFIY-GGJLBNBESA-N 2 2 354.502 3.443 10 0 FGAELP C(=C\C[N@H+]1CCCC[C@@H]1c1cn[nH]c1)\C[NH+]1CCCC[C@H]1c1cn[nH]c1 ZINC000255514081 497368576 /nfs/dbraw/zinc/36/85/76/497368576.db2.gz XHMCFEBFWBQFIY-GGJLBNBESA-N 2 2 354.502 3.443 10 0 FGAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCC[C@H](C(F)(F)F)C3)c2cc1C ZINC000193518832 497402036 /nfs/dbraw/zinc/40/20/36/497402036.db2.gz LLYLBZVUHZWDCZ-GJZGRUSLSA-N 2 2 355.404 3.288 10 0 FGAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCC[C@H](C(F)(F)F)C3)c2cc1C ZINC000193518832 497402042 /nfs/dbraw/zinc/40/20/42/497402042.db2.gz LLYLBZVUHZWDCZ-GJZGRUSLSA-N 2 2 355.404 3.288 10 0 FGAELP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(Br)c(Br)c3)C[C@@H]12 ZINC000261564376 497416120 /nfs/dbraw/zinc/41/61/20/497416120.db2.gz HHVWEQZMPNBRKH-JTNHKYCSSA-N 2 2 374.120 3.381 10 0 FGAELP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(Br)c(Br)c3)C[C@@H]12 ZINC000261564376 497416123 /nfs/dbraw/zinc/41/61/23/497416123.db2.gz HHVWEQZMPNBRKH-JTNHKYCSSA-N 2 2 374.120 3.381 10 0 FGAELP Cc1[nH+]cc(C[N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)n1-c1ccccc1 ZINC000190285152 497424331 /nfs/dbraw/zinc/42/43/31/497424331.db2.gz QNDBIKVWAYOSHB-PXNSSMCTSA-N 2 2 353.491 3.450 10 0 FGAELP Cc1[nH+]cc(C[N@@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)n1-c1ccccc1 ZINC000190285152 497424336 /nfs/dbraw/zinc/42/43/36/497424336.db2.gz QNDBIKVWAYOSHB-PXNSSMCTSA-N 2 2 353.491 3.450 10 0 FGAELP Cn1cc[nH+]c1CN(Cc1ccc(Cl)cc1F)[C@@H]1CC12CC[NH2+]CC2 ZINC000261756981 497446276 /nfs/dbraw/zinc/44/62/76/497446276.db2.gz CPHWFHRRZTZRML-QGZVFWFLSA-N 2 2 362.880 3.357 10 0 FGAELP C[N@H+](Cc1nc(-c2cccc(Br)c2)no1)[C@H]1CCC[NH2+]CC1 ZINC000262475223 497562302 /nfs/dbraw/zinc/56/23/02/497562302.db2.gz JOJAJCQJFXSGFB-AWEZNQCLSA-N 2 2 365.275 3.073 10 0 FGAELP C[N@@H+](Cc1nc(-c2cccc(Br)c2)no1)[C@H]1CCC[NH2+]CC1 ZINC000262475223 497562309 /nfs/dbraw/zinc/56/23/09/497562309.db2.gz JOJAJCQJFXSGFB-AWEZNQCLSA-N 2 2 365.275 3.073 10 0 FGAELP CCN(CC)C(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246077651 497613859 /nfs/dbraw/zinc/61/38/59/497613859.db2.gz CYIVIMYUDIOIEO-RXVVDRJESA-N 2 2 366.509 3.425 10 0 FGAELP CCN(CC)C(=O)[C@H](c1ccccc1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246077651 497613866 /nfs/dbraw/zinc/61/38/66/497613866.db2.gz CYIVIMYUDIOIEO-RXVVDRJESA-N 2 2 366.509 3.425 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3c(F)cccc3F)C2)[nH+]1 ZINC000246081986 497614805 /nfs/dbraw/zinc/61/48/05/497614805.db2.gz DQZYVQWVCZSWPD-HUUCEWRRSA-N 2 2 374.435 3.429 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@H+]([C@H](C)C(=O)Nc3c(F)cccc3F)C2)[nH+]1 ZINC000246081986 497614811 /nfs/dbraw/zinc/61/48/11/497614811.db2.gz DQZYVQWVCZSWPD-HUUCEWRRSA-N 2 2 374.435 3.429 10 0 FGAELP C[C@@H](C(=O)N1CCCc2ccccc21)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246093158 497619829 /nfs/dbraw/zinc/61/98/29/497619829.db2.gz GTAFQWJKJRWWIF-ROUUACIJSA-N 2 2 364.493 3.183 10 0 FGAELP C[C@@H](C(=O)N1CCCc2ccccc21)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246093158 497619830 /nfs/dbraw/zinc/61/98/30/497619830.db2.gz GTAFQWJKJRWWIF-ROUUACIJSA-N 2 2 364.493 3.183 10 0 FGAELP O[C@@H](C[NH2+]Cc1cc(Br)c(Cl)s1)C[NH+]1CCCCC1 ZINC000190855412 497623269 /nfs/dbraw/zinc/62/32/69/497623269.db2.gz ALRYVAOYHXCXES-JTQLQIEISA-N 2 2 367.740 3.100 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)N3c4ccccc4C[C@H]3C)C2)[nH+]1 ZINC000246120579 497628169 /nfs/dbraw/zinc/62/81/69/497628169.db2.gz KZSRYHUHWHPONJ-MSOLQXFVSA-N 2 2 364.493 3.102 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)N3c4ccccc4C[C@H]3C)C2)[nH+]1 ZINC000246120579 497628176 /nfs/dbraw/zinc/62/81/76/497628176.db2.gz KZSRYHUHWHPONJ-MSOLQXFVSA-N 2 2 364.493 3.102 10 0 FGAELP C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246191601 497654453 /nfs/dbraw/zinc/65/44/53/497654453.db2.gz WKCJNWOZPVTSTE-KGLIPLIRSA-N 2 2 360.408 3.121 10 0 FGAELP C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246191601 497654455 /nfs/dbraw/zinc/65/44/55/497654455.db2.gz WKCJNWOZPVTSTE-KGLIPLIRSA-N 2 2 360.408 3.121 10 0 FGAELP Oc1cccc2c1CC[C@H]2[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390670804 499555126 /nfs/dbraw/zinc/55/51/26/499555126.db2.gz RZKMVHGECAVHEB-WIYYLYMNSA-N 2 2 352.478 3.260 10 0 FGAELP Oc1cccc2c1CC[C@H]2[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390670804 499555127 /nfs/dbraw/zinc/55/51/27/499555127.db2.gz RZKMVHGECAVHEB-WIYYLYMNSA-N 2 2 352.478 3.260 10 0 FGAELP CC[C@@H]([NH2+]CCCn1cc[nH+]c1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000188645278 712773916 /nfs/dbraw/zinc/77/39/16/712773916.db2.gz YIAGXMVYPKOETE-SJORKVTESA-N 2 2 350.507 3.431 10 0 FGAELP COc1ncc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](CC2CCCCC2)C3)cn1 ZINC000011947644 207330812 /nfs/dbraw/zinc/33/08/12/207330812.db2.gz BPEPSPSDMXCIDH-OAQYLSRUSA-N 2 2 358.530 3.353 10 0 FGAELP COc1ncc(C[N@H+]2CC[C@]3(C2)CCC[NH+](CC2CCCCC2)C3)cn1 ZINC000011947644 207330816 /nfs/dbraw/zinc/33/08/16/207330816.db2.gz BPEPSPSDMXCIDH-OAQYLSRUSA-N 2 2 358.530 3.353 10 0 FGAELP COc1ncc(C[NH+]2CC[C@]3(C2)CCC[N@H+](CC2CCCCC2)C3)cn1 ZINC000011947644 207330820 /nfs/dbraw/zinc/33/08/20/207330820.db2.gz BPEPSPSDMXCIDH-OAQYLSRUSA-N 2 2 358.530 3.353 10 0 FGAELP COc1ncc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](CC2CCCCC2)C3)cn1 ZINC000011947644 207330825 /nfs/dbraw/zinc/33/08/25/207330825.db2.gz BPEPSPSDMXCIDH-OAQYLSRUSA-N 2 2 358.530 3.353 10 0 FGAELP CCC[NH2+][C@H](Cc1[nH]cc[nH+]1)c1cccc(I)c1 ZINC000035586410 208132539 /nfs/dbraw/zinc/13/25/39/208132539.db2.gz NBUJBQMYQUTGPY-CYBMUJFWSA-N 2 2 355.223 3.298 10 0 FGAELP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(Br)cc1F ZINC000126142003 494650654 /nfs/dbraw/zinc/65/06/54/494650654.db2.gz LZWDRZFWQNMAPN-TZMCWYRMSA-N 2 2 359.283 3.086 10 0 FGAELP C[C@H](NC(=O)NC1CCC(C[NH+](C)C)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000121265290 494674631 /nfs/dbraw/zinc/67/46/31/494674631.db2.gz ITPYAWOBIRCNAU-MUYFXNHWSA-N 2 2 369.513 3.353 10 0 FGAELP Cc1cc(NC(=O)C2CCC(C(=O)Nc3cc[nH+]c(C)c3)CC2)cc[nH+]1 ZINC000123842392 495195596 /nfs/dbraw/zinc/19/55/96/495195596.db2.gz WCVWPWIVLLEKIU-UHFFFAOYSA-N 2 2 352.438 3.477 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@H](O)COc2cccc3[nH]ccc32)C1 ZINC000158966206 495627154 /nfs/dbraw/zinc/62/71/54/495627154.db2.gz CPSBDGFERBTYFN-IRXDYDNUSA-N 2 2 368.481 3.004 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@H](O)COc2cccc3[nH]ccc32)C1 ZINC000158966206 495627156 /nfs/dbraw/zinc/62/71/56/495627156.db2.gz CPSBDGFERBTYFN-IRXDYDNUSA-N 2 2 368.481 3.004 10 0 FGAELP Fc1ccc(-n2ccc(C[N@@H+]3CC[C@H](CNc4cccc[nH+]4)C3)n2)cc1 ZINC000173779216 495688918 /nfs/dbraw/zinc/68/89/18/495688918.db2.gz QAGDCELCJDXEMK-MRXNPFEDSA-N 2 2 351.429 3.340 10 0 FGAELP Fc1ccc(-n2ccc(C[N@H+]3CC[C@H](CNc4cccc[nH+]4)C3)n2)cc1 ZINC000173779216 495688923 /nfs/dbraw/zinc/68/89/23/495688923.db2.gz QAGDCELCJDXEMK-MRXNPFEDSA-N 2 2 351.429 3.340 10 0 FGAELP CC[N@@H+]1CCC[C@@H]([NH2+]CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000171050625 495702960 /nfs/dbraw/zinc/70/29/60/495702960.db2.gz GLCNJOPSNWNFNV-MRXNPFEDSA-N 2 2 351.288 3.299 10 0 FGAELP CC[N@H+]1CCC[C@@H]([NH2+]CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000171050625 495702963 /nfs/dbraw/zinc/70/29/63/495702963.db2.gz GLCNJOPSNWNFNV-MRXNPFEDSA-N 2 2 351.288 3.299 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3noc(-c4ccsc4)n3)C2)[nH+]1 ZINC000151113751 495741204 /nfs/dbraw/zinc/74/12/04/495741204.db2.gz FCKCQDUFDNCVQP-AWEZNQCLSA-N 2 2 355.467 3.436 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3noc(-c4ccsc4)n3)C2)[nH+]1 ZINC000151113751 495741210 /nfs/dbraw/zinc/74/12/10/495741210.db2.gz FCKCQDUFDNCVQP-AWEZNQCLSA-N 2 2 355.467 3.436 10 0 FGAELP COc1ccc([C@H](C)[NH2+][C@@H]2CCCn3ncnc32)cc1C[NH+]1CCCCC1 ZINC000183090841 495830522 /nfs/dbraw/zinc/83/05/22/495830522.db2.gz DVLSTFHQFPMATD-QFBILLFUSA-N 2 2 369.513 3.458 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(OC)cc2)C1 ZINC000171521565 495911300 /nfs/dbraw/zinc/91/13/00/495911300.db2.gz TVQDQYNYWAZUPG-KRWDZBQOSA-N 2 2 356.470 3.120 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(OC)cc2)C1 ZINC000171521565 495911307 /nfs/dbraw/zinc/91/13/07/495911307.db2.gz TVQDQYNYWAZUPG-KRWDZBQOSA-N 2 2 356.470 3.120 10 0 FGAELP C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171644244 495962249 /nfs/dbraw/zinc/96/22/49/495962249.db2.gz WKCJNWOZPVTSTE-ZIAGYGMSSA-N 2 2 360.408 3.121 10 0 FGAELP C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171644244 495962254 /nfs/dbraw/zinc/96/22/54/495962254.db2.gz WKCJNWOZPVTSTE-ZIAGYGMSSA-N 2 2 360.408 3.121 10 0 FGAELP Cc1ccccc1CN(C)C(=O)[C@H](C)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171643218 495962297 /nfs/dbraw/zinc/96/22/97/495962297.db2.gz QPJPEWUKIPKYES-RBUKOAKNSA-N 2 2 366.509 3.171 10 0 FGAELP Cc1ccccc1CN(C)C(=O)[C@H](C)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171643218 495962304 /nfs/dbraw/zinc/96/23/04/495962304.db2.gz QPJPEWUKIPKYES-RBUKOAKNSA-N 2 2 366.509 3.171 10 0 FGAELP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171646479 495966149 /nfs/dbraw/zinc/96/61/49/495966149.db2.gz WPWXVAPVUNJWGP-LSDHHAIUSA-N 2 2 358.873 3.496 10 0 FGAELP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171646479 495966156 /nfs/dbraw/zinc/96/61/56/495966156.db2.gz WPWXVAPVUNJWGP-LSDHHAIUSA-N 2 2 358.873 3.496 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)N3c4ccccc4C[C@@H]3C)C2)[nH+]1 ZINC000171653379 495971987 /nfs/dbraw/zinc/97/19/87/495971987.db2.gz KZSRYHUHWHPONJ-ROUUACIJSA-N 2 2 364.493 3.102 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)N3c4ccccc4C[C@@H]3C)C2)[nH+]1 ZINC000171653379 495971989 /nfs/dbraw/zinc/97/19/89/495971989.db2.gz KZSRYHUHWHPONJ-ROUUACIJSA-N 2 2 364.493 3.102 10 0 FGAELP CCc1nc(NC(=O)C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)sc1C ZINC000180658699 496091713 /nfs/dbraw/zinc/09/17/13/496091713.db2.gz WVYGXPULPYRKFF-ZDUSSCGKSA-N 2 2 369.494 3.489 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000187419935 496433810 /nfs/dbraw/zinc/43/38/10/496433810.db2.gz MSESNWTTXDOKMU-FQEVSTJZSA-N 2 2 353.445 3.240 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000187419935 496433815 /nfs/dbraw/zinc/43/38/15/496433815.db2.gz MSESNWTTXDOKMU-FQEVSTJZSA-N 2 2 353.445 3.240 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@@H]2CN(c3ccccc3)C(=O)O2)C1 ZINC000172794212 496434499 /nfs/dbraw/zinc/43/44/99/496434499.db2.gz AWWHEFSFOFSXOF-ZWKOTPCHSA-N 2 2 354.454 3.108 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@@H]2CN(c3ccccc3)C(=O)O2)C1 ZINC000172794212 496434502 /nfs/dbraw/zinc/43/45/02/496434502.db2.gz AWWHEFSFOFSXOF-ZWKOTPCHSA-N 2 2 354.454 3.108 10 0 FGAELP COc1ccc(CC[N@@H+]2CC[C@@H](C[NH+](C)Cc3scnc3C)C2)cc1 ZINC000195261785 496866437 /nfs/dbraw/zinc/86/64/37/496866437.db2.gz XYBMPSSDZSLXSD-SFHVURJKSA-N 2 2 359.539 3.457 10 0 FGAELP COc1ccc(CC[N@H+]2CC[C@@H](C[NH+](C)Cc3scnc3C)C2)cc1 ZINC000195261785 496866442 /nfs/dbraw/zinc/86/64/42/496866442.db2.gz XYBMPSSDZSLXSD-SFHVURJKSA-N 2 2 359.539 3.457 10 0 FGAELP COc1ccc(CC[NH+]2CC[C@@H](C[N@H+](C)Cc3scnc3C)C2)cc1 ZINC000195261785 496866444 /nfs/dbraw/zinc/86/64/44/496866444.db2.gz XYBMPSSDZSLXSD-SFHVURJKSA-N 2 2 359.539 3.457 10 0 FGAELP COc1ccc(CC[NH+]2CC[C@@H](C[N@@H+](C)Cc3scnc3C)C2)cc1 ZINC000195261785 496866448 /nfs/dbraw/zinc/86/64/48/496866448.db2.gz XYBMPSSDZSLXSD-SFHVURJKSA-N 2 2 359.539 3.457 10 0 FGAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2cc(F)cc3c2OCOC3)C1 ZINC000195278521 496874165 /nfs/dbraw/zinc/87/41/65/496874165.db2.gz MUAHODRFKWTOAY-KRWDZBQOSA-N 2 2 371.456 3.041 10 0 FGAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2cc(F)cc3c2OCOC3)C1 ZINC000195278521 496874167 /nfs/dbraw/zinc/87/41/67/496874167.db2.gz MUAHODRFKWTOAY-KRWDZBQOSA-N 2 2 371.456 3.041 10 0 FGAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](Cc2cc(F)cc3c2OCOC3)C1 ZINC000195278521 496874169 /nfs/dbraw/zinc/87/41/69/496874169.db2.gz MUAHODRFKWTOAY-KRWDZBQOSA-N 2 2 371.456 3.041 10 0 FGAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](Cc2cc(F)cc3c2OCOC3)C1 ZINC000195278521 496874170 /nfs/dbraw/zinc/87/41/70/496874170.db2.gz MUAHODRFKWTOAY-KRWDZBQOSA-N 2 2 371.456 3.041 10 0 FGAELP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1c[nH+]c2ccc(Br)cn12 ZINC000248404797 496998838 /nfs/dbraw/zinc/99/88/38/496998838.db2.gz ABKPUWLYCZDEFK-CABCVRRESA-N 2 2 363.303 3.155 10 0 FGAELP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1c[nH+]c2ccc(Br)cn12 ZINC000248404797 496998839 /nfs/dbraw/zinc/99/88/39/496998839.db2.gz ABKPUWLYCZDEFK-CABCVRRESA-N 2 2 363.303 3.155 10 0 FGAELP CSc1ccccc1NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261638304 497425340 /nfs/dbraw/zinc/42/53/40/497425340.db2.gz FMXAGZLDNHHDSA-NXHRZFHOSA-N 2 2 369.534 3.410 10 0 FGAELP CSc1ccccc1NC(=O)[C@@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261638304 497425345 /nfs/dbraw/zinc/42/53/45/497425345.db2.gz FMXAGZLDNHHDSA-NXHRZFHOSA-N 2 2 369.534 3.410 10 0 FGAELP CC1CCN([C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c2ccccc2)CC1 ZINC000261958353 497482840 /nfs/dbraw/zinc/48/28/40/497482840.db2.gz PFEUTYMKFZSLFK-SSGKUCQKSA-N 2 2 371.569 3.206 10 0 FGAELP C[C@@H]1C[N@H+](Cc2cn(Cc3ccccc3)nc2-c2cccs2)C[C@@H]1[NH3+] ZINC000262131808 497513491 /nfs/dbraw/zinc/51/34/91/497513491.db2.gz YGBIQOPGVJEKCA-QAPCUYQASA-N 2 2 352.507 3.439 10 0 FGAELP C[C@@H]1C[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2cccs2)C[C@@H]1[NH3+] ZINC000262131808 497513497 /nfs/dbraw/zinc/51/34/97/497513497.db2.gz YGBIQOPGVJEKCA-QAPCUYQASA-N 2 2 352.507 3.439 10 0 FGAELP [NH3+]CC1(C(=O)Nc2ccc(Oc3cc[nH+]cc3)c(Cl)c2)CCOCC1 ZINC000262228859 497526873 /nfs/dbraw/zinc/52/68/73/497526873.db2.gz KBONBLRNDKNZGQ-UHFFFAOYSA-N 2 2 361.829 3.221 10 0 FGAELP CSc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000245964848 497585459 /nfs/dbraw/zinc/58/54/59/497585459.db2.gz UAEZKWHWWAHDJL-GDBMZVCRSA-N 2 2 358.511 3.405 10 0 FGAELP CSc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000245964848 497585464 /nfs/dbraw/zinc/58/54/64/497585464.db2.gz UAEZKWHWWAHDJL-GDBMZVCRSA-N 2 2 358.511 3.405 10 0 FGAELP Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000246118312 497627876 /nfs/dbraw/zinc/62/78/76/497627876.db2.gz KQWARINPPCTRPU-ROUUACIJSA-N 2 2 352.482 3.459 10 0 FGAELP Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000246118312 497627878 /nfs/dbraw/zinc/62/78/78/497627878.db2.gz KQWARINPPCTRPU-ROUUACIJSA-N 2 2 352.482 3.459 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccc(Cl)cn3)C2)[nH+]1 ZINC000246160076 497642463 /nfs/dbraw/zinc/64/24/63/497642463.db2.gz QUTFCGZMPAAZGX-CABCVRRESA-N 2 2 373.888 3.199 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccc(Cl)cn3)C2)[nH+]1 ZINC000246160076 497642467 /nfs/dbraw/zinc/64/24/67/497642467.db2.gz QUTFCGZMPAAZGX-CABCVRRESA-N 2 2 373.888 3.199 10 0 FGAELP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000105784192 700505064 /nfs/dbraw/zinc/50/50/64/700505064.db2.gz LOMUGLKTTTZSRJ-FGTMMUONSA-N 2 2 353.551 3.486 10 0 FGAELP CC(C)[NH2+]C1CCN(C(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000074876588 494638477 /nfs/dbraw/zinc/63/84/77/494638477.db2.gz HOKYUZAMEFRNPO-MRXNPFEDSA-N 2 2 355.486 3.105 10 0 FGAELP Cc1ccccc1[C@H](C)NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000121441495 494758595 /nfs/dbraw/zinc/75/85/95/494758595.db2.gz TZUHJSIYLLRZKB-GURQWTFNSA-N 2 2 370.541 3.008 10 0 FGAELP Cc1ccccc1[C@H](C)NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000121441495 494758606 /nfs/dbraw/zinc/75/86/06/494758606.db2.gz TZUHJSIYLLRZKB-GURQWTFNSA-N 2 2 370.541 3.008 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC000109284833 494854660 /nfs/dbraw/zinc/85/46/60/494854660.db2.gz LIWRXQDKKIVXRH-QUCCMNQESA-N 2 2 354.498 3.302 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC000109284833 494854662 /nfs/dbraw/zinc/85/46/62/494854662.db2.gz LIWRXQDKKIVXRH-QUCCMNQESA-N 2 2 354.498 3.302 10 0 FGAELP CC[C@H]1CN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC[N@@H+]1CCOC ZINC000117302886 494909589 /nfs/dbraw/zinc/90/95/89/494909589.db2.gz HHEBTIYOSHADHU-SFHVURJKSA-N 2 2 369.465 3.057 10 0 FGAELP CC[C@H]1CN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC[N@H+]1CCOC ZINC000117302886 494909594 /nfs/dbraw/zinc/90/95/94/494909594.db2.gz HHEBTIYOSHADHU-SFHVURJKSA-N 2 2 369.465 3.057 10 0 FGAELP CC[N@@H+]1CCC[C@H]1CN(C)Cc1c[nH+]c2ccc(Br)cn12 ZINC000123373128 495121899 /nfs/dbraw/zinc/12/18/99/495121899.db2.gz WAICRXSPLCEPMT-AWEZNQCLSA-N 2 2 351.292 3.013 10 0 FGAELP CC[N@H+]1CCC[C@H]1CN(C)Cc1c[nH+]c2ccc(Br)cn12 ZINC000123373128 495121902 /nfs/dbraw/zinc/12/19/02/495121902.db2.gz WAICRXSPLCEPMT-AWEZNQCLSA-N 2 2 351.292 3.013 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cn(-c2ccc(Cl)cc2)nn1 ZINC000119616771 495202515 /nfs/dbraw/zinc/20/25/15/495202515.db2.gz DUXNBTTZBZOIOR-SFHVURJKSA-N 2 2 356.861 3.090 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cn(-c2ccc(Cl)cc2)nn1 ZINC000119616771 495202516 /nfs/dbraw/zinc/20/25/16/495202516.db2.gz DUXNBTTZBZOIOR-SFHVURJKSA-N 2 2 356.861 3.090 10 0 FGAELP CN(CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)c1[nH]c2ccccc2[nH+]1 ZINC000134951647 495230344 /nfs/dbraw/zinc/23/03/44/495230344.db2.gz XRRZKEIDBLHWIL-OAQYLSRUSA-N 2 2 364.493 3.445 10 0 FGAELP C(=C/C[N@@H+]1CCCC[C@H]1c1cn[nH]c1)\C[NH+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000114484588 495382630 /nfs/dbraw/zinc/38/26/30/495382630.db2.gz XHMCFEBFWBQFIY-VGIQHARFSA-N 2 2 354.502 3.443 10 0 FGAELP C(=C/C[N@H+]1CCCC[C@H]1c1cn[nH]c1)\C[NH+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000114484588 495382633 /nfs/dbraw/zinc/38/26/33/495382633.db2.gz XHMCFEBFWBQFIY-VGIQHARFSA-N 2 2 354.502 3.443 10 0 FGAELP C(=C/C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1)\C[NH+]1CCCC[C@H]1c1cn[nH]c1 ZINC000114484588 495382636 /nfs/dbraw/zinc/38/26/36/495382636.db2.gz XHMCFEBFWBQFIY-VGIQHARFSA-N 2 2 354.502 3.443 10 0 FGAELP C(=C/C[N@H+]1CCCC[C@@H]1c1cn[nH]c1)\C[NH+]1CCCC[C@H]1c1cn[nH]c1 ZINC000114484588 495382639 /nfs/dbraw/zinc/38/26/39/495382639.db2.gz XHMCFEBFWBQFIY-VGIQHARFSA-N 2 2 354.502 3.443 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCC(=O)N2CCc3sccc3C2)C1 ZINC000106212132 495432471 /nfs/dbraw/zinc/43/24/71/495432471.db2.gz XIIYWHPTYOOKEW-QGZVFWFLSA-N 2 2 372.538 3.119 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCC(=O)N2CCc3sccc3C2)C1 ZINC000106212132 495432472 /nfs/dbraw/zinc/43/24/72/495432472.db2.gz XIIYWHPTYOOKEW-QGZVFWFLSA-N 2 2 372.538 3.119 10 0 FGAELP Cc1[nH+]c2ccccc2n1CCCNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106431682 495454909 /nfs/dbraw/zinc/45/49/09/495454909.db2.gz FDKYKDBKDPPSKK-OAQYLSRUSA-N 2 2 364.493 3.024 10 0 FGAELP COc1ccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1OC(F)F ZINC000180127359 495868820 /nfs/dbraw/zinc/86/88/20/495868820.db2.gz MJPRCVMVXIWLST-HNNXBMFYSA-N 2 2 351.397 3.466 10 0 FGAELP COc1ccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1OC(F)F ZINC000180127359 495868823 /nfs/dbraw/zinc/86/88/23/495868823.db2.gz MJPRCVMVXIWLST-HNNXBMFYSA-N 2 2 351.397 3.466 10 0 FGAELP CC[N@@H+](Cc1nnc(C(C)C)n1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174391578 495938460 /nfs/dbraw/zinc/93/84/60/495938460.db2.gz NDGWOQDMJZKVFF-UHFFFAOYSA-N 2 2 356.518 3.072 10 0 FGAELP CC[N@H+](Cc1nnc(C(C)C)n1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174391578 495938465 /nfs/dbraw/zinc/93/84/65/495938465.db2.gz NDGWOQDMJZKVFF-UHFFFAOYSA-N 2 2 356.518 3.072 10 0 FGAELP CC(C)c1ccc([C@@H]2C[C@H]2C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000177135069 495941803 /nfs/dbraw/zinc/94/18/03/495941803.db2.gz WYFOXRGTIODVBQ-LEWJYISDSA-N 2 2 357.542 3.056 10 0 FGAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](CC(C)C)c2ccccn2)nc[nH+]1 ZINC000180573296 496049804 /nfs/dbraw/zinc/04/98/04/496049804.db2.gz MULDWURBHDEQSN-SJLPKXTDSA-N 2 2 354.502 3.259 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H]2CCCN(c3ccccc3F)C2=O)C1 ZINC000157227648 496432467 /nfs/dbraw/zinc/43/24/67/496432467.db2.gz WXFJUSWAAMTEGQ-VQIMIIECSA-N 2 2 370.472 3.417 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H]2CCCN(c3ccccc3F)C2=O)C1 ZINC000157227648 496432475 /nfs/dbraw/zinc/43/24/75/496432475.db2.gz WXFJUSWAAMTEGQ-VQIMIIECSA-N 2 2 370.472 3.417 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1nc2ccc(F)cc2s1 ZINC000178751707 496560758 /nfs/dbraw/zinc/56/07/58/496560758.db2.gz MBPXIFXQZULOPM-AWEZNQCLSA-N 2 2 373.457 3.043 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)Nc1nc2ccc(F)cc2s1 ZINC000178751707 496560760 /nfs/dbraw/zinc/56/07/60/496560760.db2.gz MBPXIFXQZULOPM-AWEZNQCLSA-N 2 2 373.457 3.043 10 0 FGAELP C[C@H](NC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000246971321 496739770 /nfs/dbraw/zinc/73/97/70/496739770.db2.gz JCWJITLZAYEPGV-CGTJXYLNSA-N 2 2 355.486 3.105 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NCCc2ccccc2C)C1 ZINC000247547040 496885575 /nfs/dbraw/zinc/88/55/75/496885575.db2.gz DPFYIXJBIXVNNP-UYAOXDASSA-N 2 2 368.525 3.138 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)NCCc2ccccc2C)C1 ZINC000247547040 496885580 /nfs/dbraw/zinc/88/55/80/496885580.db2.gz DPFYIXJBIXVNNP-UYAOXDASSA-N 2 2 368.525 3.138 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@@H](O)COc2c(C)cccc2C)C1 ZINC000247872345 496923806 /nfs/dbraw/zinc/92/38/06/496923806.db2.gz XTPNHOIFAKOMMU-RTBURBONSA-N 2 2 357.498 3.139 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@@H](O)COc2c(C)cccc2C)C1 ZINC000247872345 496923807 /nfs/dbraw/zinc/92/38/07/496923807.db2.gz XTPNHOIFAKOMMU-RTBURBONSA-N 2 2 357.498 3.139 10 0 FGAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(c2cc(NCC3CC3)[nH+]cn2)C1 ZINC000192791047 497214983 /nfs/dbraw/zinc/21/49/83/497214983.db2.gz RZFPWIUBUIWXPQ-INIZCTEOSA-N 2 2 372.542 3.022 10 0 FGAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(c2cc(NCC3CC3)[nH+]cn2)C1 ZINC000192791047 497214988 /nfs/dbraw/zinc/21/49/88/497214988.db2.gz RZFPWIUBUIWXPQ-INIZCTEOSA-N 2 2 372.542 3.022 10 0 FGAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(c2cc(NCC3CC3)nc[nH+]2)C1 ZINC000192791047 497214991 /nfs/dbraw/zinc/21/49/91/497214991.db2.gz RZFPWIUBUIWXPQ-INIZCTEOSA-N 2 2 372.542 3.022 10 0 FGAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(c2cc(NCC3CC3)nc[nH+]2)C1 ZINC000192791047 497214995 /nfs/dbraw/zinc/21/49/95/497214995.db2.gz RZFPWIUBUIWXPQ-INIZCTEOSA-N 2 2 372.542 3.022 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3nc([C@H](C)OCC(C)C)no3)C2)[nH+]1 ZINC000245496613 497429322 /nfs/dbraw/zinc/42/93/22/497429322.db2.gz RTKSSXPVQMLPER-IRXDYDNUSA-N 2 2 373.501 3.441 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3nc([C@H](C)OCC(C)C)no3)C2)[nH+]1 ZINC000245496613 497429326 /nfs/dbraw/zinc/42/93/26/497429326.db2.gz RTKSSXPVQMLPER-IRXDYDNUSA-N 2 2 373.501 3.441 10 0 FGAELP Cc1cc(N2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)nc(-c2ccncc2)[nH+]1 ZINC000190448969 497483682 /nfs/dbraw/zinc/48/36/82/497483682.db2.gz MZJWUKZWEVKWJB-IBGZPJMESA-N 2 2 374.492 3.200 10 0 FGAELP Cc1cc(N2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)nc(-c2ccncc2)[nH+]1 ZINC000190448969 497483690 /nfs/dbraw/zinc/48/36/90/497483690.db2.gz MZJWUKZWEVKWJB-IBGZPJMESA-N 2 2 374.492 3.200 10 0 FGAELP COCCOc1cccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000190474747 497495394 /nfs/dbraw/zinc/49/53/94/497495394.db2.gz PSZOJHGRZQATBQ-NRFANRHFSA-N 2 2 369.509 3.061 10 0 FGAELP COCCOc1cccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000190474747 497495399 /nfs/dbraw/zinc/49/53/99/497495399.db2.gz PSZOJHGRZQATBQ-NRFANRHFSA-N 2 2 369.509 3.061 10 0 FGAELP COCCOc1cccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)c1 ZINC000190474747 497495405 /nfs/dbraw/zinc/49/54/05/497495405.db2.gz PSZOJHGRZQATBQ-NRFANRHFSA-N 2 2 369.509 3.061 10 0 FGAELP COCCOc1cccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)c1 ZINC000190474747 497495412 /nfs/dbraw/zinc/49/54/12/497495412.db2.gz PSZOJHGRZQATBQ-NRFANRHFSA-N 2 2 369.509 3.061 10 0 FGAELP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246130275 497631625 /nfs/dbraw/zinc/63/16/25/497631625.db2.gz MIQAUOZSIXDDRK-CABCVRRESA-N 2 2 358.873 3.496 10 0 FGAELP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246130275 497631631 /nfs/dbraw/zinc/63/16/31/497631631.db2.gz MIQAUOZSIXDDRK-CABCVRRESA-N 2 2 358.873 3.496 10 0 FGAELP CCc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000246174657 497647343 /nfs/dbraw/zinc/64/73/43/497647343.db2.gz TWVOSMJCFVKPIM-AEFFLSMTSA-N 2 2 352.482 3.405 10 0 FGAELP CCc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000246174657 497647348 /nfs/dbraw/zinc/64/73/48/497647348.db2.gz TWVOSMJCFVKPIM-AEFFLSMTSA-N 2 2 352.482 3.405 10 0 FGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)C1 ZINC000246939305 497821225 /nfs/dbraw/zinc/82/12/25/497821225.db2.gz HNMCPTXEWJNEFT-QAPCUYQASA-N 2 2 351.922 3.151 10 0 FGAELP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)C1 ZINC000246939305 497821226 /nfs/dbraw/zinc/82/12/26/497821226.db2.gz HNMCPTXEWJNEFT-QAPCUYQASA-N 2 2 351.922 3.151 10 0 FGAELP [NH3+]CCCC[C@@H]([NH3+])c1cc(Br)c(O)c(Br)c1 ZINC000575438699 505976606 /nfs/dbraw/zinc/97/66/06/505976606.db2.gz AFEZUJFLWZWTKU-SNVBAGLBSA-N 2 2 352.070 3.046 10 0 FGAELP Cc1nc(N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c2c([nH+]1)CCCC2 ZINC000302057818 498387758 /nfs/dbraw/zinc/38/77/58/498387758.db2.gz RIXGYOFESLCNCG-BEFAXECRSA-N 2 2 351.498 3.381 10 0 FGAELP Cc1nc(N[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c2c([nH+]1)CCCC2 ZINC000302057818 498387763 /nfs/dbraw/zinc/38/77/63/498387763.db2.gz RIXGYOFESLCNCG-BEFAXECRSA-N 2 2 351.498 3.381 10 0 FGAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CC[C@H](Nc4ccccc4)C3)c2cc1C ZINC000076758172 493966103 /nfs/dbraw/zinc/96/61/03/493966103.db2.gz UJHOCWRQMFTEMX-PMACEKPBSA-N 2 2 364.493 3.200 10 0 FGAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CC[C@H](Nc4ccccc4)C3)c2cc1C ZINC000076758172 493966107 /nfs/dbraw/zinc/96/61/07/493966107.db2.gz UJHOCWRQMFTEMX-PMACEKPBSA-N 2 2 364.493 3.200 10 0 FGAELP C[C@H]1CCC[N@H+](CCOc2ccccc2C[NH+]2CCn3cncc3C2)C1 ZINC000072154744 494137240 /nfs/dbraw/zinc/13/72/40/494137240.db2.gz GLODTYQRRWOTSE-SFHVURJKSA-N 2 2 354.498 3.010 10 0 FGAELP C[C@H]1CCC[N@@H+](CCOc2ccccc2C[NH+]2CCn3cncc3C2)C1 ZINC000072154744 494137245 /nfs/dbraw/zinc/13/72/45/494137245.db2.gz GLODTYQRRWOTSE-SFHVURJKSA-N 2 2 354.498 3.010 10 0 FGAELP C[C@H]1CCC[NH+](CCOc2ccccc2C[N@@H+]2CCn3cncc3C2)C1 ZINC000072154744 494137248 /nfs/dbraw/zinc/13/72/48/494137248.db2.gz GLODTYQRRWOTSE-SFHVURJKSA-N 2 2 354.498 3.010 10 0 FGAELP C[C@H]1CCC[NH+](CCOc2ccccc2C[N@H+]2CCn3cncc3C2)C1 ZINC000072154744 494137251 /nfs/dbraw/zinc/13/72/51/494137251.db2.gz GLODTYQRRWOTSE-SFHVURJKSA-N 2 2 354.498 3.010 10 0 FGAELP COCC[N@@H+]1CCN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C[C@@H]1C ZINC000117459082 494922632 /nfs/dbraw/zinc/92/26/32/494922632.db2.gz LRUQCKLANGCDQI-INIZCTEOSA-N 2 2 370.453 3.058 10 0 FGAELP COCC[N@H+]1CCN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C[C@@H]1C ZINC000117459082 494922634 /nfs/dbraw/zinc/92/26/34/494922634.db2.gz LRUQCKLANGCDQI-INIZCTEOSA-N 2 2 370.453 3.058 10 0 FGAELP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000122226279 494942489 /nfs/dbraw/zinc/94/24/89/494942489.db2.gz KLIPWSNPWPOPTH-ZWKOTPCHSA-N 2 2 369.513 3.210 10 0 FGAELP CC(C)C[N@H+]1CC[C@H](CNC(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000122226279 494942490 /nfs/dbraw/zinc/94/24/90/494942490.db2.gz KLIPWSNPWPOPTH-ZWKOTPCHSA-N 2 2 369.513 3.210 10 0 FGAELP Cc1cccc(O[C@@H](C)CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)c1 ZINC000119644467 495208424 /nfs/dbraw/zinc/20/84/24/495208424.db2.gz KOCUGWXZIHLFRG-HNNXBMFYSA-N 2 2 360.421 3.398 10 0 FGAELP CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]Cc2cccnc2-n2cc[nH+]c2)C1 ZINC000129979501 495323260 /nfs/dbraw/zinc/32/32/60/495323260.db2.gz YHRDZNKETSHCME-INIZCTEOSA-N 2 2 371.485 3.004 10 0 FGAELP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2cnc(C3CCCC3)s2)nc[nH+]1 ZINC000136071784 495354140 /nfs/dbraw/zinc/35/41/40/495354140.db2.gz YRPNSXIZNNYQIN-OAHLLOKOSA-N 2 2 372.542 3.391 10 0 FGAELP C[N@H+](Cc1cc(-c2cccs2)on1)C1CC[NH+](CCn2cccn2)CC1 ZINC000106129557 495418788 /nfs/dbraw/zinc/41/87/88/495418788.db2.gz AJHCGRHNVOSYSX-UHFFFAOYSA-N 2 2 371.510 3.196 10 0 FGAELP C[N@@H+](Cc1cc(-c2cccs2)on1)C1CC[NH+](CCn2cccn2)CC1 ZINC000106129557 495418793 /nfs/dbraw/zinc/41/87/93/495418793.db2.gz AJHCGRHNVOSYSX-UHFFFAOYSA-N 2 2 371.510 3.196 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cn2)C1 ZINC000106215624 495435233 /nfs/dbraw/zinc/43/52/33/495435233.db2.gz WWYCJKOXZKJRDL-ZFWWWQNUSA-N 2 2 361.877 3.158 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cn2)C1 ZINC000106215624 495435237 /nfs/dbraw/zinc/43/52/37/495435237.db2.gz WWYCJKOXZKJRDL-ZFWWWQNUSA-N 2 2 361.877 3.158 10 0 FGAELP Cc1[nH+]c2ccccc2n1CCCNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000106431687 495455399 /nfs/dbraw/zinc/45/53/99/495455399.db2.gz FDKYKDBKDPPSKK-NRFANRHFSA-N 2 2 364.493 3.024 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@H](O)COc1cc(C)ccc1Cl ZINC000182443649 495566505 /nfs/dbraw/zinc/56/65/05/495566505.db2.gz LGRODVRLPPQZEN-SJORKVTESA-N 2 2 363.889 3.058 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@H](O)COc1cc(C)ccc1Cl ZINC000182443649 495566508 /nfs/dbraw/zinc/56/65/08/495566508.db2.gz LGRODVRLPPQZEN-SJORKVTESA-N 2 2 363.889 3.058 10 0 FGAELP CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1C ZINC000154567014 495656772 /nfs/dbraw/zinc/65/67/72/495656772.db2.gz RLEMCRLIQGQVGB-RHSMWYFYSA-N 2 2 356.470 3.075 10 0 FGAELP CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1C ZINC000154567014 495656776 /nfs/dbraw/zinc/65/67/76/495656776.db2.gz RLEMCRLIQGQVGB-RHSMWYFYSA-N 2 2 356.470 3.075 10 0 FGAELP CCO[C@@H]1C[C@@H]([NH2+][C@@H](C[NH+]2CCCC2)c2ccccc2)C12CCOCC2 ZINC000186222772 495902702 /nfs/dbraw/zinc/90/27/02/495902702.db2.gz ATPWMDQKKZKBJK-PWRODBHTSA-N 2 2 358.526 3.387 10 0 FGAELP CCC[C@H](C(=O)Nc1cccc(C[N@H+](C)Cc2cscn2)c1)[NH+](C)C ZINC000155311846 495915307 /nfs/dbraw/zinc/91/53/07/495915307.db2.gz VKVDXVTWAHHJDD-GOSISDBHSA-N 2 2 360.527 3.444 10 0 FGAELP CCC[C@H](C(=O)Nc1cccc(C[N@@H+](C)Cc2cscn2)c1)[NH+](C)C ZINC000155311846 495915315 /nfs/dbraw/zinc/91/53/15/495915315.db2.gz VKVDXVTWAHHJDD-GOSISDBHSA-N 2 2 360.527 3.444 10 0 FGAELP Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c(Cl)c1 ZINC000171648044 495967110 /nfs/dbraw/zinc/96/71/10/495967110.db2.gz JRIMSKBMOILNCC-HNNXBMFYSA-N 2 2 358.873 3.416 10 0 FGAELP Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c(Cl)c1 ZINC000171648044 495967112 /nfs/dbraw/zinc/96/71/12/495967112.db2.gz JRIMSKBMOILNCC-HNNXBMFYSA-N 2 2 358.873 3.416 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)N[C@@H](C)c3cccs3)C2)[nH+]1 ZINC000171652006 495970739 /nfs/dbraw/zinc/97/07/39/495970739.db2.gz PWDKTSVPQVKFRQ-HOTGVXAUSA-N 2 2 358.511 3.063 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)N[C@@H](C)c3cccs3)C2)[nH+]1 ZINC000171652006 495970742 /nfs/dbraw/zinc/97/07/42/495970742.db2.gz PWDKTSVPQVKFRQ-HOTGVXAUSA-N 2 2 358.511 3.063 10 0 FGAELP CSc1cccc(NC(=O)C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)c1 ZINC000171653043 495971657 /nfs/dbraw/zinc/97/16/57/495971657.db2.gz JORZSAJRBYIMGN-MRXNPFEDSA-N 2 2 370.522 3.484 10 0 FGAELP CSc1cccc(NC(=O)C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)c1 ZINC000171653043 495971665 /nfs/dbraw/zinc/97/16/65/495971665.db2.gz JORZSAJRBYIMGN-MRXNPFEDSA-N 2 2 370.522 3.484 10 0 FGAELP CC(C)c1nnc2n1C[C@H]([NH2+][C@H](C)c1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000180510259 496026183 /nfs/dbraw/zinc/02/61/83/496026183.db2.gz ICBKVWBTIVEMFB-NVXWUHKLSA-N 2 2 350.470 3.253 10 0 FGAELP CC[C@@H]([NH2+]C[C@@H]1CCCN1c1cc(NC)[nH+]cn1)c1ccc(OC)cc1 ZINC000180566626 496047093 /nfs/dbraw/zinc/04/70/93/496047093.db2.gz JPBINCNEKVLFOV-FUHWJXTLSA-N 2 2 355.486 3.237 10 0 FGAELP C[C@@H]([NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)C(=O)NCc1cccs1 ZINC000180660534 496092792 /nfs/dbraw/zinc/09/27/92/496092792.db2.gz XJAIJVLWBWEAQK-HUUCEWRRSA-N 2 2 354.479 3.289 10 0 FGAELP C[C@@H]([NH2+]CC(=O)N(C1CC1)C1CCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180666012 496095494 /nfs/dbraw/zinc/09/54/94/496095494.db2.gz STVDNUGSBBVDHC-MRXNPFEDSA-N 2 2 352.482 3.457 10 0 FGAELP C[C@@H]([NH2+]CC(=O)N(C)Cc1ccccc1F)c1cccc(-n2cc[nH+]c2)c1 ZINC000180668256 496096812 /nfs/dbraw/zinc/09/68/12/496096812.db2.gz AGVCFWCUIMMVRU-MRXNPFEDSA-N 2 2 366.440 3.321 10 0 FGAELP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000177557729 496111735 /nfs/dbraw/zinc/11/17/35/496111735.db2.gz ODFHBAFHQUHQMD-LPHOPBHVSA-N 2 2 355.486 3.059 10 0 FGAELP CC[N@H+]1CCC[C@H]1CN(C)C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000177557729 496111740 /nfs/dbraw/zinc/11/17/40/496111740.db2.gz ODFHBAFHQUHQMD-LPHOPBHVSA-N 2 2 355.486 3.059 10 0 FGAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2ncc(C(C)(C)C)o2)nc[nH+]1 ZINC000175184681 496282151 /nfs/dbraw/zinc/28/21/51/496282151.db2.gz IWZSQMACEOKONV-KBPBESRZSA-N 2 2 358.490 3.123 10 0 FGAELP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)[C@@H]1CC[N@@H+](C3CCCCC3)C1)C2 ZINC000178232805 496379329 /nfs/dbraw/zinc/37/93/29/496379329.db2.gz XZVCJTYZGZGVCV-MRXNPFEDSA-N 2 2 358.530 3.083 10 0 FGAELP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)[C@@H]1CC[N@H+](C3CCCCC3)C1)C2 ZINC000178232805 496379332 /nfs/dbraw/zinc/37/93/32/496379332.db2.gz XZVCJTYZGZGVCV-MRXNPFEDSA-N 2 2 358.530 3.083 10 0 FGAELP Cc1ccccc1Cc1noc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)n1 ZINC000175620304 496468047 /nfs/dbraw/zinc/46/80/47/496468047.db2.gz HHVUYDTULIETPA-QGZVFWFLSA-N 2 2 363.465 3.298 10 0 FGAELP Cc1ccccc1Cc1noc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)n1 ZINC000175620304 496468054 /nfs/dbraw/zinc/46/80/54/496468054.db2.gz HHVUYDTULIETPA-QGZVFWFLSA-N 2 2 363.465 3.298 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000178750209 496560029 /nfs/dbraw/zinc/56/00/29/496560029.db2.gz ACRSBBDZMWBLSU-INIZCTEOSA-N 2 2 366.387 3.313 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000178750209 496560035 /nfs/dbraw/zinc/56/00/35/496560035.db2.gz ACRSBBDZMWBLSU-INIZCTEOSA-N 2 2 366.387 3.313 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1cccc2ccccc21 ZINC000247052103 496764552 /nfs/dbraw/zinc/76/45/52/496764552.db2.gz NOFZDSRLCXKSCJ-VQTJNVASSA-N 2 2 365.477 3.249 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@@H](O)COc1cccc2ccccc21 ZINC000247052103 496764556 /nfs/dbraw/zinc/76/45/56/496764556.db2.gz NOFZDSRLCXKSCJ-VQTJNVASSA-N 2 2 365.477 3.249 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@@H](O)COc1ccccc1C(C)C ZINC000247153795 496794678 /nfs/dbraw/zinc/79/46/78/496794678.db2.gz UKWVPYQABKKTKL-RBUKOAKNSA-N 2 2 357.498 3.219 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1ccccc1C(C)C ZINC000247153795 496794685 /nfs/dbraw/zinc/79/46/85/496794685.db2.gz UKWVPYQABKKTKL-RBUKOAKNSA-N 2 2 357.498 3.219 10 0 FGAELP COc1c(C)c[nH+]c(CN2CC[C@H](C[N@H+](C)Cc3scnc3C)C2)c1C ZINC000195255388 496863283 /nfs/dbraw/zinc/86/32/83/496863283.db2.gz UYTIZJRGRXDYCB-QGZVFWFLSA-N 2 2 374.554 3.426 10 0 FGAELP COc1c(C)c[nH+]c(CN2CC[C@H](C[N@@H+](C)Cc3scnc3C)C2)c1C ZINC000195255388 496863287 /nfs/dbraw/zinc/86/32/87/496863287.db2.gz UYTIZJRGRXDYCB-QGZVFWFLSA-N 2 2 374.554 3.426 10 0 FGAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](CCOc2ccccc2F)C1 ZINC000195264564 496867864 /nfs/dbraw/zinc/86/78/64/496867864.db2.gz ZPBOXIKYGHNLJS-MRXNPFEDSA-N 2 2 363.502 3.423 10 0 FGAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](CCOc2ccccc2F)C1 ZINC000195264564 496867867 /nfs/dbraw/zinc/86/78/67/496867867.db2.gz ZPBOXIKYGHNLJS-MRXNPFEDSA-N 2 2 363.502 3.423 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](CCOc2ccccc2F)C1 ZINC000195264564 496867872 /nfs/dbraw/zinc/86/78/72/496867872.db2.gz ZPBOXIKYGHNLJS-MRXNPFEDSA-N 2 2 363.502 3.423 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](CCOc2ccccc2F)C1 ZINC000195264564 496867877 /nfs/dbraw/zinc/86/78/77/496867877.db2.gz ZPBOXIKYGHNLJS-MRXNPFEDSA-N 2 2 363.502 3.423 10 0 FGAELP CCCN(CCC[NH+](C)C)C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189813167 497253427 /nfs/dbraw/zinc/25/34/27/497253427.db2.gz PFJSGPOTCJKKFP-KRWDZBQOSA-N 2 2 357.502 3.307 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000245537794 497444778 /nfs/dbraw/zinc/44/47/78/497444778.db2.gz JEDLXWSOHZIDSM-PZJWPPBQSA-N 2 2 355.482 3.414 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000245537794 497444781 /nfs/dbraw/zinc/44/47/81/497444781.db2.gz JEDLXWSOHZIDSM-PZJWPPBQSA-N 2 2 355.482 3.414 10 0 FGAELP C[C@H](c1nc(Cc2ccccc2)no1)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261866771 497464544 /nfs/dbraw/zinc/46/45/44/497464544.db2.gz WXHSOOVSRUUFNN-AHRSYUTCSA-N 2 2 362.477 3.396 10 0 FGAELP C[C@H](c1nc(Cc2ccccc2)no1)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261866771 497464551 /nfs/dbraw/zinc/46/45/51/497464551.db2.gz WXHSOOVSRUUFNN-AHRSYUTCSA-N 2 2 362.477 3.396 10 0 FGAELP COC(=O)c1cccc(C[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)c1 ZINC000261919700 497476549 /nfs/dbraw/zinc/47/65/49/497476549.db2.gz KGDKXWRRXGVCCR-FQEVSTJZSA-N 2 2 353.466 3.013 10 0 FGAELP COC(=O)c1cccc(C[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)c1 ZINC000261919700 497476552 /nfs/dbraw/zinc/47/65/52/497476552.db2.gz KGDKXWRRXGVCCR-FQEVSTJZSA-N 2 2 353.466 3.013 10 0 FGAELP C[C@H]1C[N@H+](Cc2cn(Cc3ccccc3)nc2-c2cccs2)C[C@@H]1[NH3+] ZINC000262131813 497513250 /nfs/dbraw/zinc/51/32/50/497513250.db2.gz YGBIQOPGVJEKCA-YJBOKZPZSA-N 2 2 352.507 3.439 10 0 FGAELP C[C@H]1C[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2cccs2)C[C@@H]1[NH3+] ZINC000262131813 497513256 /nfs/dbraw/zinc/51/32/56/497513256.db2.gz YGBIQOPGVJEKCA-YJBOKZPZSA-N 2 2 352.507 3.439 10 0 FGAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CC[C@@H](Nc4ccccc4)C3)c2cc1C ZINC000246033097 497600815 /nfs/dbraw/zinc/60/08/15/497600815.db2.gz UJHOCWRQMFTEMX-UXHICEINSA-N 2 2 364.493 3.200 10 0 FGAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CC[C@@H](Nc4ccccc4)C3)c2cc1C ZINC000246033097 497600821 /nfs/dbraw/zinc/60/08/21/497600821.db2.gz UJHOCWRQMFTEMX-UXHICEINSA-N 2 2 364.493 3.200 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccccc3C)C2)[nH+]1 ZINC000246206459 497660492 /nfs/dbraw/zinc/66/04/92/497660492.db2.gz YOSHCBXZKMCSNG-MSOLQXFVSA-N 2 2 352.482 3.459 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccccc3C)C2)[nH+]1 ZINC000246206459 497660498 /nfs/dbraw/zinc/66/04/98/497660498.db2.gz YOSHCBXZKMCSNG-MSOLQXFVSA-N 2 2 352.482 3.459 10 0 FGAELP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2ccc(OCC3CC3)cc2)nc[nH+]1 ZINC000190971434 497666038 /nfs/dbraw/zinc/66/60/38/497666038.db2.gz QVZMOUWVNCYCHD-GOSISDBHSA-N 2 2 367.497 3.066 10 0 FGAELP CC(C)[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2ccc(OCc3nccn3C)cc2)C1 ZINC000246507740 497757995 /nfs/dbraw/zinc/75/79/95/497757995.db2.gz SZVXFKHQBQAMNL-FUHIMQAGSA-N 2 2 356.514 3.378 10 0 FGAELP CC(C)[N@H+]1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2ccc(OCc3nccn3C)cc2)C1 ZINC000246507740 497757998 /nfs/dbraw/zinc/75/79/98/497757998.db2.gz SZVXFKHQBQAMNL-FUHIMQAGSA-N 2 2 356.514 3.378 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000246844929 497815997 /nfs/dbraw/zinc/81/59/97/497815997.db2.gz BWQBCYRIMLEJCO-YJBOKZPZSA-N 2 2 358.873 3.115 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000246844929 497815999 /nfs/dbraw/zinc/81/59/99/497815999.db2.gz BWQBCYRIMLEJCO-YJBOKZPZSA-N 2 2 358.873 3.115 10 0 FGAELP Cc1ccc(N2CCC(Nc3cc(N4CCCCC4)nc[nH+]3)CC2)[nH+]c1 ZINC000301382226 498084506 /nfs/dbraw/zinc/08/45/06/498084506.db2.gz AMJAQQZXOWYJNA-UHFFFAOYSA-N 2 2 352.486 3.251 10 0 FGAELP Fc1ccc2c(c1)[nH+]ccc2N1C[C@H]2OCC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC000301625609 498193654 /nfs/dbraw/zinc/19/36/54/498193654.db2.gz HAVUDHWYBQIYSG-FCHUYYIVSA-N 2 2 363.436 3.464 10 0 FGAELP Fc1ccc2c(c1)[nH+]ccc2N1C[C@H]2OCC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC000301625609 498193657 /nfs/dbraw/zinc/19/36/57/498193657.db2.gz HAVUDHWYBQIYSG-FCHUYYIVSA-N 2 2 363.436 3.464 10 0 FGAELP C[C@@H](C1CC[NH+](Cc2c(Cl)cncc2Cl)CC1)[NH+]1CCN(C)CC1 ZINC000077490050 700253470 /nfs/dbraw/zinc/25/34/70/700253470.db2.gz YSUODSXLKHOZOW-AWEZNQCLSA-N 2 2 371.356 3.236 10 0 FGAELP C[C@@H](NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000085362440 494116478 /nfs/dbraw/zinc/11/64/78/494116478.db2.gz LREQSOVUBQOSRY-CVEARBPZSA-N 2 2 357.502 3.209 10 0 FGAELP CCOc1ccc([C@@H](C)[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000098144104 495061576 /nfs/dbraw/zinc/06/15/76/495061576.db2.gz FOYQHXJNRZRIJY-UTKZUKDTSA-N 2 2 354.494 3.155 10 0 FGAELP CCOc1ccc([C@@H](C)[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000098144104 495061579 /nfs/dbraw/zinc/06/15/79/495061579.db2.gz FOYQHXJNRZRIJY-UTKZUKDTSA-N 2 2 354.494 3.155 10 0 FGAELP C[N@H+](Cc1coc(-c2ccccc2)n1)C1CC[NH+](CCn2cccn2)CC1 ZINC000106129831 495418558 /nfs/dbraw/zinc/41/85/58/495418558.db2.gz SUTIUKDGQHICFS-UHFFFAOYSA-N 2 2 365.481 3.135 10 0 FGAELP C[N@@H+](Cc1coc(-c2ccccc2)n1)C1CC[NH+](CCn2cccn2)CC1 ZINC000106129831 495418563 /nfs/dbraw/zinc/41/85/63/495418563.db2.gz SUTIUKDGQHICFS-UHFFFAOYSA-N 2 2 365.481 3.135 10 0 FGAELP CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1C ZINC000154567098 495656367 /nfs/dbraw/zinc/65/63/67/495656367.db2.gz RLEMCRLIQGQVGB-WMLDXEAASA-N 2 2 356.470 3.075 10 0 FGAELP CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1C ZINC000154567098 495656373 /nfs/dbraw/zinc/65/63/73/495656373.db2.gz RLEMCRLIQGQVGB-WMLDXEAASA-N 2 2 356.470 3.075 10 0 FGAELP CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000176625896 495724742 /nfs/dbraw/zinc/72/47/42/495724742.db2.gz KQTXEPBHGVISQC-LPHOPBHVSA-N 2 2 355.486 3.107 10 0 FGAELP CC[N@H+]1CCCC[C@H]1CNC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000176625896 495724746 /nfs/dbraw/zinc/72/47/46/495724746.db2.gz KQTXEPBHGVISQC-LPHOPBHVSA-N 2 2 355.486 3.107 10 0 FGAELP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000176625879 495725536 /nfs/dbraw/zinc/72/55/36/495725536.db2.gz KQTXEPBHGVISQC-QFBILLFUSA-N 2 2 355.486 3.107 10 0 FGAELP CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000176625879 495725544 /nfs/dbraw/zinc/72/55/44/495725544.db2.gz KQTXEPBHGVISQC-QFBILLFUSA-N 2 2 355.486 3.107 10 0 FGAELP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171643881 495962589 /nfs/dbraw/zinc/96/25/89/495962589.db2.gz WOBKRRYYVXLZLP-IAGOWNOFSA-N 2 2 370.472 3.174 10 0 FGAELP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171643881 495962592 /nfs/dbraw/zinc/96/25/92/495962592.db2.gz WOBKRRYYVXLZLP-IAGOWNOFSA-N 2 2 370.472 3.174 10 0 FGAELP COc1ccc(-c2noc(C[N@@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)n2)cc1 ZINC000171645596 495963924 /nfs/dbraw/zinc/96/39/24/495963924.db2.gz NNEKUEUPISWDTP-HNNXBMFYSA-N 2 2 365.437 3.074 10 0 FGAELP COc1ccc(-c2noc(C[N@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)n2)cc1 ZINC000171645596 495963933 /nfs/dbraw/zinc/96/39/33/495963933.db2.gz NNEKUEUPISWDTP-HNNXBMFYSA-N 2 2 365.437 3.074 10 0 FGAELP C[C@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171644568 495964819 /nfs/dbraw/zinc/96/48/19/495964819.db2.gz ISELZYACDTWXKQ-HUUCEWRRSA-N 2 2 358.873 3.496 10 0 FGAELP C[C@H](C(=O)Nc1ccccc1Cl)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171644568 495964822 /nfs/dbraw/zinc/96/48/22/495964822.db2.gz ISELZYACDTWXKQ-HUUCEWRRSA-N 2 2 358.873 3.496 10 0 FGAELP O=C(C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)Nc1cccc2c1N=S=N2 ZINC000171646080 495965748 /nfs/dbraw/zinc/96/57/48/495965748.db2.gz DWWZIECXEWYQPC-ZDUSSCGKSA-N 2 2 368.466 3.181 10 0 FGAELP O=C(C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)Nc1cccc2c1N=S=N2 ZINC000171646080 495965752 /nfs/dbraw/zinc/96/57/52/495965752.db2.gz DWWZIECXEWYQPC-ZDUSSCGKSA-N 2 2 368.466 3.181 10 0 FGAELP CC(=O)c1cccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000171647211 495967151 /nfs/dbraw/zinc/96/71/51/495967151.db2.gz LCAPBSSTBYNAPQ-NVXWUHKLSA-N 2 2 366.465 3.045 10 0 FGAELP CC(=O)c1cccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000171647211 495967154 /nfs/dbraw/zinc/96/71/54/495967154.db2.gz LCAPBSSTBYNAPQ-NVXWUHKLSA-N 2 2 366.465 3.045 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3c(F)cccc3F)C2)[nH+]1 ZINC000171650931 495970364 /nfs/dbraw/zinc/97/03/64/495970364.db2.gz DQZYVQWVCZSWPD-GJZGRUSLSA-N 2 2 374.435 3.429 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@H+]([C@@H](C)C(=O)Nc3c(F)cccc3F)C2)[nH+]1 ZINC000171650931 495970369 /nfs/dbraw/zinc/97/03/69/495970369.db2.gz DQZYVQWVCZSWPD-GJZGRUSLSA-N 2 2 374.435 3.429 10 0 FGAELP CSc1cccc(NC(=O)C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)c1 ZINC000171653040 495972557 /nfs/dbraw/zinc/97/25/57/495972557.db2.gz JORZSAJRBYIMGN-INIZCTEOSA-N 2 2 370.522 3.484 10 0 FGAELP CSc1cccc(NC(=O)C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)c1 ZINC000171653040 495972564 /nfs/dbraw/zinc/97/25/64/495972564.db2.gz JORZSAJRBYIMGN-INIZCTEOSA-N 2 2 370.522 3.484 10 0 FGAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H]2CCSc3ccccc32)nc[nH+]1 ZINC000180564644 496046235 /nfs/dbraw/zinc/04/62/35/496046235.db2.gz DTRPAEJFEOQKHV-GDBMZVCRSA-N 2 2 355.511 3.314 10 0 FGAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2ncc(C(C)(C)C)o2)nc[nH+]1 ZINC000175184707 496281936 /nfs/dbraw/zinc/28/19/36/496281936.db2.gz IWZSQMACEOKONV-KGLIPLIRSA-N 2 2 358.490 3.123 10 0 FGAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H](C)c2ccc(OCc3nccn3C)cc2)C1 ZINC000181284426 496339051 /nfs/dbraw/zinc/33/90/51/496339051.db2.gz SZVXFKHQBQAMNL-UWVAXJGDSA-N 2 2 356.514 3.378 10 0 FGAELP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H](C)c2ccc(OCc3nccn3C)cc2)C1 ZINC000181284426 496339057 /nfs/dbraw/zinc/33/90/57/496339057.db2.gz SZVXFKHQBQAMNL-UWVAXJGDSA-N 2 2 356.514 3.378 10 0 FGAELP CC(C)C[NH+]1CCC(NC(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000175351204 496351147 /nfs/dbraw/zinc/35/11/47/496351147.db2.gz ASQDYIMNLVBXDH-KRWDZBQOSA-N 2 2 369.513 3.353 10 0 FGAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)CCc2ccccc2)C1 ZINC000195256907 496864935 /nfs/dbraw/zinc/86/49/35/496864935.db2.gz XTRMZIHZRHVWPW-VQTJNVASSA-N 2 2 373.566 3.199 10 0 FGAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)CCc2ccccc2)C1 ZINC000195256907 496864939 /nfs/dbraw/zinc/86/49/39/496864939.db2.gz XTRMZIHZRHVWPW-VQTJNVASSA-N 2 2 373.566 3.199 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)CCc2ccccc2)C1 ZINC000195256907 496864942 /nfs/dbraw/zinc/86/49/42/496864942.db2.gz XTRMZIHZRHVWPW-VQTJNVASSA-N 2 2 373.566 3.199 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)CCc2ccccc2)C1 ZINC000195256907 496864946 /nfs/dbraw/zinc/86/49/46/496864946.db2.gz XTRMZIHZRHVWPW-VQTJNVASSA-N 2 2 373.566 3.199 10 0 FGAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCCOc2ccc(F)cc2)C1 ZINC000195285696 496876433 /nfs/dbraw/zinc/87/64/33/496876433.db2.gz SSRSFSGSUSZVEZ-LJQANCHMSA-N 2 2 357.473 3.444 10 0 FGAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCCOc2ccc(F)cc2)C1 ZINC000195285696 496876436 /nfs/dbraw/zinc/87/64/36/496876436.db2.gz SSRSFSGSUSZVEZ-LJQANCHMSA-N 2 2 357.473 3.444 10 0 FGAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](CCCOc2ccc(F)cc2)C1 ZINC000195285696 496876439 /nfs/dbraw/zinc/87/64/39/496876439.db2.gz SSRSFSGSUSZVEZ-LJQANCHMSA-N 2 2 357.473 3.444 10 0 FGAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CCCOc2ccc(F)cc2)C1 ZINC000195285696 496876443 /nfs/dbraw/zinc/87/64/43/496876443.db2.gz SSRSFSGSUSZVEZ-LJQANCHMSA-N 2 2 357.473 3.444 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1noc(-c2ccc(F)cc2F)n1 ZINC000189068345 496996795 /nfs/dbraw/zinc/99/67/95/496996795.db2.gz RLFQNSPFYQGCPW-CQSZACIVSA-N 2 2 359.380 3.184 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1noc(-c2ccc(F)cc2F)n1 ZINC000189068345 496996802 /nfs/dbraw/zinc/99/68/02/496996802.db2.gz RLFQNSPFYQGCPW-CQSZACIVSA-N 2 2 359.380 3.184 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccccc2)C1 ZINC000248660309 497074927 /nfs/dbraw/zinc/07/49/27/497074927.db2.gz VVWCZNPKHFACHV-IAGOWNOFSA-N 2 2 372.538 3.232 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccccc2)C1 ZINC000248660309 497074930 /nfs/dbraw/zinc/07/49/30/497074930.db2.gz VVWCZNPKHFACHV-IAGOWNOFSA-N 2 2 372.538 3.232 10 0 FGAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)Nc2ccccc2)C1 ZINC000248660309 497074932 /nfs/dbraw/zinc/07/49/32/497074932.db2.gz VVWCZNPKHFACHV-IAGOWNOFSA-N 2 2 372.538 3.232 10 0 FGAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)Nc2ccccc2)C1 ZINC000248660309 497074935 /nfs/dbraw/zinc/07/49/35/497074935.db2.gz VVWCZNPKHFACHV-IAGOWNOFSA-N 2 2 372.538 3.232 10 0 FGAELP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)C12CCOCC2 ZINC000249066374 497158169 /nfs/dbraw/zinc/15/81/69/497158169.db2.gz ZNCLTHSRNOZLAR-JRGCBEDISA-N 2 2 373.541 3.171 10 0 FGAELP CCCN(CCC[NH+](C)C)C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189813182 497253413 /nfs/dbraw/zinc/25/34/13/497253413.db2.gz PFJSGPOTCJKKFP-QGZVFWFLSA-N 2 2 357.502 3.307 10 0 FGAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)CC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000193692396 497448552 /nfs/dbraw/zinc/44/85/52/497448552.db2.gz WHQWXENFBZKRQB-UONOGXRCSA-N 2 2 357.420 3.496 10 0 FGAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)CC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000193692396 497448556 /nfs/dbraw/zinc/44/85/56/497448556.db2.gz WHQWXENFBZKRQB-UONOGXRCSA-N 2 2 357.420 3.496 10 0 FGAELP c1sc(CCc2ccccc2)nc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261930968 497478854 /nfs/dbraw/zinc/47/88/54/497478854.db2.gz LSDFFTWDHMJIBP-VAMGGRTRSA-N 2 2 371.550 3.175 10 0 FGAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2cnn3ccccc23)C1 ZINC000190460811 497487572 /nfs/dbraw/zinc/48/75/72/497487572.db2.gz CLNNHGYHQRETJG-INIZCTEOSA-N 2 2 355.511 3.053 10 0 FGAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2cnn3ccccc23)C1 ZINC000190460811 497487577 /nfs/dbraw/zinc/48/75/77/497487577.db2.gz CLNNHGYHQRETJG-INIZCTEOSA-N 2 2 355.511 3.053 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cnn3ccccc23)C1 ZINC000190460811 497487586 /nfs/dbraw/zinc/48/75/86/497487586.db2.gz CLNNHGYHQRETJG-INIZCTEOSA-N 2 2 355.511 3.053 10 0 FGAELP Cc1nc(C)c(C[NH+]2CC[C@H](C[N@@H+](C)Cc3scnc3C)C2)s1 ZINC000190466792 497490922 /nfs/dbraw/zinc/49/09/22/497490922.db2.gz IXYOLMONRJGAKY-OAHLLOKOSA-N 2 2 350.557 3.479 10 0 FGAELP Cc1nc(C)c(C[NH+]2CC[C@H](C[N@H+](C)Cc3scnc3C)C2)s1 ZINC000190466792 497490928 /nfs/dbraw/zinc/49/09/28/497490928.db2.gz IXYOLMONRJGAKY-OAHLLOKOSA-N 2 2 350.557 3.479 10 0 FGAELP Cc1nc(C)c(C[N@H+]2CC[C@H](C[NH+](C)Cc3scnc3C)C2)s1 ZINC000190466792 497490933 /nfs/dbraw/zinc/49/09/33/497490933.db2.gz IXYOLMONRJGAKY-OAHLLOKOSA-N 2 2 350.557 3.479 10 0 FGAELP Cc1nc(C)c(C[N@@H+]2CC[C@H](C[NH+](C)Cc3scnc3C)C2)s1 ZINC000190466792 497490935 /nfs/dbraw/zinc/49/09/35/497490935.db2.gz IXYOLMONRJGAKY-OAHLLOKOSA-N 2 2 350.557 3.479 10 0 FGAELP Cc1ccc(C)c(OC[C@H](O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1C ZINC000246071139 497610815 /nfs/dbraw/zinc/61/08/15/497610815.db2.gz BVUUOSPPTZEYLT-VQTJNVASSA-N 2 2 369.509 3.181 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@H](C)C(=O)Nc3cc(F)ccc3F)C2)[nH+]1 ZINC000246108595 497624507 /nfs/dbraw/zinc/62/45/07/497624507.db2.gz JBSALAGBDHRRTP-CABCVRRESA-N 2 2 374.435 3.429 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@H+]([C@H](C)C(=O)Nc3cc(F)ccc3F)C2)[nH+]1 ZINC000246108595 497624512 /nfs/dbraw/zinc/62/45/12/497624512.db2.gz JBSALAGBDHRRTP-CABCVRRESA-N 2 2 374.435 3.429 10 0 FGAELP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246118128 497627075 /nfs/dbraw/zinc/62/70/75/497627075.db2.gz KNHUCKUCHFQJHM-OTWHNJEPSA-N 2 2 366.509 3.390 10 0 FGAELP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246118128 497627081 /nfs/dbraw/zinc/62/70/81/497627081.db2.gz KNHUCKUCHFQJHM-OTWHNJEPSA-N 2 2 366.509 3.390 10 0 FGAELP CC(C)(C)n1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)nn1 ZINC000311892032 498755977 /nfs/dbraw/zinc/75/59/77/498755977.db2.gz AVICIQSQEFEGTB-YZGWKJHDSA-N 2 2 353.514 3.033 10 0 FGAELP CC(C)(C)n1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)nn1 ZINC000311892032 498755981 /nfs/dbraw/zinc/75/59/81/498755981.db2.gz AVICIQSQEFEGTB-YZGWKJHDSA-N 2 2 353.514 3.033 10 0 FGAELP O[C@@H](C[NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1)COCc1cccs1 ZINC000379658370 499542581 /nfs/dbraw/zinc/54/25/81/499542581.db2.gz WDKLRTOQCCPGBM-UXHICEINSA-N 2 2 374.550 3.270 10 0 FGAELP O[C@@H](C[NH2+]C[C@H]1CCCC[N@H+]1Cc1ccccc1)COCc1cccs1 ZINC000379658370 499542583 /nfs/dbraw/zinc/54/25/83/499542583.db2.gz WDKLRTOQCCPGBM-UXHICEINSA-N 2 2 374.550 3.270 10 0 FGAELP CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)C12CCOCC2 ZINC000249021727 257370809 /nfs/dbraw/zinc/37/08/09/257370809.db2.gz QTFWVPPBZYNURR-NSISKUIASA-N 2 2 355.482 3.497 10 0 FGAELP Cc1ccc(O)c(Cn2c3ccccc3[nH+]c2NCCC[NH+]2CCCC2)n1 ZINC000033819622 494063394 /nfs/dbraw/zinc/06/33/94/494063394.db2.gz MTVUXAWDAGCOFR-UHFFFAOYSA-N 2 2 365.481 3.391 10 0 FGAELP O=C1[C@H]([N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CCN1c1ccccc1Cl ZINC000111212802 495048754 /nfs/dbraw/zinc/04/87/54/495048754.db2.gz VZUMKDVVGGKSKS-CRAIPNDOSA-N 2 2 370.884 3.274 10 0 FGAELP O=C1[C@H]([N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CCN1c1ccccc1Cl ZINC000111212802 495048759 /nfs/dbraw/zinc/04/87/59/495048759.db2.gz VZUMKDVVGGKSKS-CRAIPNDOSA-N 2 2 370.884 3.274 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)cc2)C1 ZINC000106214301 495432900 /nfs/dbraw/zinc/43/29/00/495432900.db2.gz WEFKVPLFCYYUBW-SJORKVTESA-N 2 2 363.889 3.176 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccc(Cl)cc2)C1 ZINC000106214301 495432905 /nfs/dbraw/zinc/43/29/05/495432905.db2.gz WEFKVPLFCYYUBW-SJORKVTESA-N 2 2 363.889 3.176 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2nc3ccc(Cl)cc3c(=O)[nH]2)C1 ZINC000106215309 495435191 /nfs/dbraw/zinc/43/51/91/495435191.db2.gz QXAMEOWUDMGXPQ-CQSZACIVSA-N 2 2 371.872 3.173 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2nc3ccc(Cl)cc3c(=O)[nH]2)C1 ZINC000106215309 495435198 /nfs/dbraw/zinc/43/51/98/495435198.db2.gz QXAMEOWUDMGXPQ-CQSZACIVSA-N 2 2 371.872 3.173 10 0 FGAELP C[C@H](NC(=O)N1CCC(CC[NH+](C)C)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173451077 495535275 /nfs/dbraw/zinc/53/52/75/495535275.db2.gz KZBWABXGAVDQIX-KRWDZBQOSA-N 2 2 369.513 3.307 10 0 FGAELP O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000154231147 495551142 /nfs/dbraw/zinc/55/11/42/495551142.db2.gz XCHODFUVJULWKR-FQEVSTJZSA-N 2 2 372.513 3.041 10 0 FGAELP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000176352081 495615850 /nfs/dbraw/zinc/61/58/50/495615850.db2.gz QVVZELKMHYWGGT-ZWKOTPCHSA-N 2 2 353.470 3.178 10 0 FGAELP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000176352081 495615857 /nfs/dbraw/zinc/61/58/57/495615857.db2.gz QVVZELKMHYWGGT-ZWKOTPCHSA-N 2 2 353.470 3.178 10 0 FGAELP C[C@H](NC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000176380337 495628245 /nfs/dbraw/zinc/62/82/45/495628245.db2.gz JCWJITLZAYEPGV-SZMVWBNQSA-N 2 2 355.486 3.105 10 0 FGAELP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1cc(Cl)ccc1OC(F)F ZINC000151321004 495804309 /nfs/dbraw/zinc/80/43/09/495804309.db2.gz QVUOQIZXXUVQAN-JSGCOSHPSA-N 2 2 362.848 3.439 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccn(-c2c(F)cccc2F)n1 ZINC000155055104 495819176 /nfs/dbraw/zinc/81/91/76/495819176.db2.gz KBWABBOWOHDJEZ-INIZCTEOSA-N 2 2 357.408 3.320 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccn(-c2c(F)cccc2F)n1 ZINC000155055104 495819180 /nfs/dbraw/zinc/81/91/80/495819180.db2.gz KBWABBOWOHDJEZ-INIZCTEOSA-N 2 2 357.408 3.320 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2csc(N(CC)C(C)=O)n2)C1 ZINC000171523570 495912263 /nfs/dbraw/zinc/91/22/63/495912263.db2.gz GCOPNZWZESKJQO-MRXNPFEDSA-N 2 2 361.515 3.112 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2csc(N(CC)C(C)=O)n2)C1 ZINC000171523570 495912266 /nfs/dbraw/zinc/91/22/66/495912266.db2.gz GCOPNZWZESKJQO-MRXNPFEDSA-N 2 2 361.515 3.112 10 0 FGAELP CSc1ccc(NC(=O)C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)cc1 ZINC000171650770 495970278 /nfs/dbraw/zinc/97/02/78/495970278.db2.gz QQXPLBKNOHJKHG-MRXNPFEDSA-N 2 2 370.522 3.484 10 0 FGAELP CSc1ccc(NC(=O)C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)cc1 ZINC000171650770 495970288 /nfs/dbraw/zinc/97/02/88/495970288.db2.gz QQXPLBKNOHJKHG-MRXNPFEDSA-N 2 2 370.522 3.484 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)Nc3ccc(C)c(C)c3)C2)[nH+]1 ZINC000171653440 495974577 /nfs/dbraw/zinc/97/45/77/495974577.db2.gz GHVMDNMIMFIKJN-GOSISDBHSA-N 2 2 352.482 3.379 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)Nc3ccc(C)c(C)c3)C2)[nH+]1 ZINC000171653440 495974580 /nfs/dbraw/zinc/97/45/80/495974580.db2.gz GHVMDNMIMFIKJN-GOSISDBHSA-N 2 2 352.482 3.379 10 0 FGAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2csc(C(C)C)n2)nc[nH+]1 ZINC000186398942 495982422 /nfs/dbraw/zinc/98/24/22/495982422.db2.gz CHHGWXMJBSVIBJ-ZIAGYGMSSA-N 2 2 360.531 3.418 10 0 FGAELP C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C(=O)NCc1ccc(F)cc1 ZINC000180665063 496094056 /nfs/dbraw/zinc/09/40/56/496094056.db2.gz IXWBPVSXEKFPDT-JKSUJKDBSA-N 2 2 366.440 3.367 10 0 FGAELP Cc1csc2nc(C[NH2+][C@@H](C)c3cccc(-n4cc[nH+]c4)c3)cc(=O)n12 ZINC000180667045 496095339 /nfs/dbraw/zinc/09/53/39/496095339.db2.gz AQRUEFKPPDFRSU-AWEZNQCLSA-N 2 2 365.462 3.101 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3ccc(Br)cn3)C2)[nH+]1 ZINC000171960142 496109941 /nfs/dbraw/zinc/10/99/41/496109941.db2.gz PAYYOPFFIGCCHC-AWEZNQCLSA-N 2 2 361.287 3.482 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3ccc(Br)cn3)C2)[nH+]1 ZINC000171960142 496109947 /nfs/dbraw/zinc/10/99/47/496109947.db2.gz PAYYOPFFIGCCHC-AWEZNQCLSA-N 2 2 361.287 3.482 10 0 FGAELP CC[N@H+](Cc1ccc(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1)C(C)C ZINC000177815454 496208075 /nfs/dbraw/zinc/20/80/75/496208075.db2.gz OCEQZDGMKJHMBR-HXUWFJFHSA-N 2 2 354.498 3.418 10 0 FGAELP CC[N@@H+](Cc1ccc(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1)C(C)C ZINC000177815454 496208078 /nfs/dbraw/zinc/20/80/78/496208078.db2.gz OCEQZDGMKJHMBR-HXUWFJFHSA-N 2 2 354.498 3.418 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCC(=O)NCc1ccccc1Cl ZINC000178323100 496411565 /nfs/dbraw/zinc/41/15/65/496411565.db2.gz XJBUQKLTDDKWII-QGZVFWFLSA-N 2 2 360.889 3.016 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCC(=O)NCc1ccccc1Cl ZINC000178323100 496411571 /nfs/dbraw/zinc/41/15/71/496411571.db2.gz XJBUQKLTDDKWII-QGZVFWFLSA-N 2 2 360.889 3.016 10 0 FGAELP C[C@H](CNC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000247389031 496848982 /nfs/dbraw/zinc/84/89/82/496848982.db2.gz GIWAHUKCRRTATC-KURKYZTESA-N 2 2 369.513 3.353 10 0 FGAELP C[C@H](CNC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000247389031 496848989 /nfs/dbraw/zinc/84/89/89/496848989.db2.gz GIWAHUKCRRTATC-KURKYZTESA-N 2 2 369.513 3.353 10 0 FGAELP CCN(C(=O)C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1)C1CCCCC1 ZINC000195286886 496876037 /nfs/dbraw/zinc/87/60/37/496876037.db2.gz XTLKNTZIFUSPAR-HXUWFJFHSA-N 2 2 372.557 3.017 10 0 FGAELP CCN(C(=O)C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1)C1CCCCC1 ZINC000195286886 496876042 /nfs/dbraw/zinc/87/60/42/496876042.db2.gz XTLKNTZIFUSPAR-HXUWFJFHSA-N 2 2 372.557 3.017 10 0 FGAELP CCN(C(=O)C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1)C1CCCCC1 ZINC000195286886 496876046 /nfs/dbraw/zinc/87/60/46/496876046.db2.gz XTLKNTZIFUSPAR-HXUWFJFHSA-N 2 2 372.557 3.017 10 0 FGAELP CCN(C(=O)C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1)C1CCCCC1 ZINC000195286886 496876050 /nfs/dbraw/zinc/87/60/50/496876050.db2.gz XTLKNTZIFUSPAR-HXUWFJFHSA-N 2 2 372.557 3.017 10 0 FGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000191998376 496958102 /nfs/dbraw/zinc/95/81/02/496958102.db2.gz SOKPPUKKZWKGIV-HXUWFJFHSA-N 2 2 362.481 3.072 10 0 FGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000191998376 496958107 /nfs/dbraw/zinc/95/81/07/496958107.db2.gz SOKPPUKKZWKGIV-HXUWFJFHSA-N 2 2 362.481 3.072 10 0 FGAELP Fc1ccccc1-c1noc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)n1 ZINC000189040503 496987817 /nfs/dbraw/zinc/98/78/17/496987817.db2.gz DXUUASJPUAAEPT-AWEZNQCLSA-N 2 2 353.401 3.205 10 0 FGAELP Fc1ccccc1-c1noc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)n1 ZINC000189040503 496987821 /nfs/dbraw/zinc/98/78/21/496987821.db2.gz DXUUASJPUAAEPT-AWEZNQCLSA-N 2 2 353.401 3.205 10 0 FGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000192207265 497032234 /nfs/dbraw/zinc/03/22/34/497032234.db2.gz DQQRFPOXYHJGRW-ICSRJNTNSA-N 2 2 353.491 3.450 10 0 FGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000192207265 497032239 /nfs/dbraw/zinc/03/22/39/497032239.db2.gz DQQRFPOXYHJGRW-ICSRJNTNSA-N 2 2 353.491 3.450 10 0 FGAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)CCc2ccccc2)C1 ZINC000248661832 497075074 /nfs/dbraw/zinc/07/50/74/497075074.db2.gz XTRMZIHZRHVWPW-PMACEKPBSA-N 2 2 373.566 3.199 10 0 FGAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)CCc2ccccc2)C1 ZINC000248661832 497075078 /nfs/dbraw/zinc/07/50/78/497075078.db2.gz XTRMZIHZRHVWPW-PMACEKPBSA-N 2 2 373.566 3.199 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)CCc2ccccc2)C1 ZINC000248661832 497075081 /nfs/dbraw/zinc/07/50/81/497075081.db2.gz XTRMZIHZRHVWPW-PMACEKPBSA-N 2 2 373.566 3.199 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)CCc2ccccc2)C1 ZINC000248661832 497075086 /nfs/dbraw/zinc/07/50/86/497075086.db2.gz XTRMZIHZRHVWPW-PMACEKPBSA-N 2 2 373.566 3.199 10 0 FGAELP CC(=O)c1ccc(NC(=O)C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000189914890 497292327 /nfs/dbraw/zinc/29/23/27/497292327.db2.gz GRNSEHXZXANCLS-OAHLLOKOSA-N 2 2 362.433 3.364 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2nc([C@H](C)OCC(C)C)no2)C1 ZINC000245492462 497427644 /nfs/dbraw/zinc/42/76/44/497427644.db2.gz JNGSUZMVYVHEFO-HOTGVXAUSA-N 2 2 361.490 3.399 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2nc([C@H](C)OCC(C)C)no2)C1 ZINC000245492462 497427649 /nfs/dbraw/zinc/42/76/49/497427649.db2.gz JNGSUZMVYVHEFO-HOTGVXAUSA-N 2 2 361.490 3.399 10 0 FGAELP Cc1ccc(NC(=O)C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c(Cl)c1 ZINC000261713428 497438171 /nfs/dbraw/zinc/43/81/71/497438171.db2.gz KNMNKKKMWWUCAV-SJORKVTESA-N 2 2 357.885 3.261 10 0 FGAELP Cc1ccc(NC(=O)C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c(Cl)c1 ZINC000261713428 497438177 /nfs/dbraw/zinc/43/81/77/497438177.db2.gz KNMNKKKMWWUCAV-SJORKVTESA-N 2 2 357.885 3.261 10 0 FGAELP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c(F)c1 ZINC000261861230 497464385 /nfs/dbraw/zinc/46/43/85/497464385.db2.gz WKICKBMDLVAVOZ-JQHSSLGASA-N 2 2 355.457 3.135 10 0 FGAELP Cc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c(F)c1 ZINC000261861230 497464388 /nfs/dbraw/zinc/46/43/88/497464388.db2.gz WKICKBMDLVAVOZ-JQHSSLGASA-N 2 2 355.457 3.135 10 0 FGAELP CCN(C)c1ccc(C[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cn1 ZINC000261913294 497475004 /nfs/dbraw/zinc/47/50/04/497475004.db2.gz JOQFFBHQJMWJGO-HXUWFJFHSA-N 2 2 353.514 3.077 10 0 FGAELP CCN(C)c1ccc(C[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cn1 ZINC000261913294 497475011 /nfs/dbraw/zinc/47/50/11/497475011.db2.gz JOQFFBHQJMWJGO-HXUWFJFHSA-N 2 2 353.514 3.077 10 0 FGAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000190479936 497498535 /nfs/dbraw/zinc/49/85/35/497498535.db2.gz SGCANFUZOYEJFE-HXUWFJFHSA-N 2 2 361.493 3.221 10 0 FGAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000190479936 497498540 /nfs/dbraw/zinc/49/85/40/497498540.db2.gz SGCANFUZOYEJFE-HXUWFJFHSA-N 2 2 361.493 3.221 10 0 FGAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000190479936 497498545 /nfs/dbraw/zinc/49/85/45/497498545.db2.gz SGCANFUZOYEJFE-HXUWFJFHSA-N 2 2 361.493 3.221 10 0 FGAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000190479936 497498549 /nfs/dbraw/zinc/49/85/49/497498549.db2.gz SGCANFUZOYEJFE-HXUWFJFHSA-N 2 2 361.493 3.221 10 0 FGAELP Cc1cccn2cc(COc3ccc(C[N@H+]4C[C@@H](C)[C@@H]([NH3+])C4)cc3)nc12 ZINC000262070091 497504348 /nfs/dbraw/zinc/50/43/48/497504348.db2.gz RZUWQCLKSIDYTH-UZLBHIALSA-N 2 2 350.466 3.001 10 0 FGAELP Cc1cccn2cc(COc3ccc(C[N@@H+]4C[C@@H](C)[C@@H]([NH3+])C4)cc3)nc12 ZINC000262070091 497504352 /nfs/dbraw/zinc/50/43/52/497504352.db2.gz RZUWQCLKSIDYTH-UZLBHIALSA-N 2 2 350.466 3.001 10 0 FGAELP CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000262280794 497534579 /nfs/dbraw/zinc/53/45/79/497534579.db2.gz KWENAYCOLNATEX-SIXWZSSISA-N 2 2 365.468 3.078 10 0 FGAELP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c(F)c1 ZINC000246088702 497618762 /nfs/dbraw/zinc/61/87/62/497618762.db2.gz FZUOIPANJPNCMQ-HOTGVXAUSA-N 2 2 356.445 3.290 10 0 FGAELP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c(F)c1 ZINC000246088702 497618764 /nfs/dbraw/zinc/61/87/64/497618764.db2.gz FZUOIPANJPNCMQ-HOTGVXAUSA-N 2 2 356.445 3.290 10 0 FGAELP C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246154449 497640336 /nfs/dbraw/zinc/64/03/36/497640336.db2.gz QBTMDGDEULOFCI-BBWFWOEESA-N 2 2 370.472 3.220 10 0 FGAELP C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246154449 497640338 /nfs/dbraw/zinc/64/03/38/497640338.db2.gz QBTMDGDEULOFCI-BBWFWOEESA-N 2 2 370.472 3.220 10 0 FGAELP O=C(C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)N[C@@H](c1ccccc1)C1CC1 ZINC000246184420 497652035 /nfs/dbraw/zinc/65/20/35/497652035.db2.gz VIKHZJPAMGLBIO-JTSKRJEESA-N 2 2 364.493 3.083 10 0 FGAELP O=C(C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)N[C@@H](c1ccccc1)C1CC1 ZINC000246184420 497652037 /nfs/dbraw/zinc/65/20/37/497652037.db2.gz VIKHZJPAMGLBIO-JTSKRJEESA-N 2 2 364.493 3.083 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@H]2CN(c3ccccc3)C(=O)O2)C1 ZINC000246498603 497754515 /nfs/dbraw/zinc/75/45/15/497754515.db2.gz AWWHEFSFOFSXOF-MSOLQXFVSA-N 2 2 354.454 3.108 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@H]2CN(c3ccccc3)C(=O)O2)C1 ZINC000246498603 497754516 /nfs/dbraw/zinc/75/45/16/497754516.db2.gz AWWHEFSFOFSXOF-MSOLQXFVSA-N 2 2 354.454 3.108 10 0 FGAELP COc1cc2c(cc1OC)C[N@H+](CCNc1cc(C)[nH+]c(C(C)C)n1)CC2 ZINC000301079466 497942088 /nfs/dbraw/zinc/94/20/88/497942088.db2.gz FEFOBRBJCWFSRK-UHFFFAOYSA-N 2 2 370.497 3.396 10 0 FGAELP COc1cc2c(cc1OC)C[N@@H+](CCNc1cc(C)[nH+]c(C(C)C)n1)CC2 ZINC000301079466 497942089 /nfs/dbraw/zinc/94/20/89/497942089.db2.gz FEFOBRBJCWFSRK-UHFFFAOYSA-N 2 2 370.497 3.396 10 0 FGAELP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2cnc(C(C)(C)C)s2)nc[nH+]1 ZINC000109070495 700529816 /nfs/dbraw/zinc/52/98/16/700529816.db2.gz YBPPWMNYVOOVIV-ZDUSSCGKSA-N 2 2 360.531 3.031 10 0 FGAELP OC[C@@H]1CCCC[N@@H+]1CC[NH2+]Cc1c[nH]nc1-c1cccc2ccccc21 ZINC000022910576 211368115 /nfs/dbraw/zinc/36/81/15/211368115.db2.gz JZLXVUJNPPYVFT-IBGZPJMESA-N 2 2 364.493 3.166 10 0 FGAELP OC[C@@H]1CCCC[N@H+]1CC[NH2+]Cc1c[nH]nc1-c1cccc2ccccc21 ZINC000022910576 211368119 /nfs/dbraw/zinc/36/81/19/211368119.db2.gz JZLXVUJNPPYVFT-IBGZPJMESA-N 2 2 364.493 3.166 10 0 FGAELP CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)C12CCOCC2 ZINC000249021726 257371299 /nfs/dbraw/zinc/37/12/99/257371299.db2.gz QTFWVPPBZYNURR-LSTHTHJFSA-N 2 2 355.482 3.497 10 0 FGAELP Cc1nc(NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c2c([nH+]1)CCCC2 ZINC000302076286 257383682 /nfs/dbraw/zinc/38/36/82/257383682.db2.gz HFRZJCUOPNPHJJ-LJQANCHMSA-N 2 2 366.509 3.233 10 0 FGAELP Cc1nc(NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)c2c([nH+]1)CCCC2 ZINC000302076286 257383683 /nfs/dbraw/zinc/38/36/83/257383683.db2.gz HFRZJCUOPNPHJJ-LJQANCHMSA-N 2 2 366.509 3.233 10 0 FGAELP C[C@@H]1CCC[N@H+](CCOc2ccccc2C[NH+]2CCn3cncc3C2)C1 ZINC000072154743 494137194 /nfs/dbraw/zinc/13/71/94/494137194.db2.gz GLODTYQRRWOTSE-GOSISDBHSA-N 2 2 354.498 3.010 10 0 FGAELP C[C@@H]1CCC[N@@H+](CCOc2ccccc2C[NH+]2CCn3cncc3C2)C1 ZINC000072154743 494137199 /nfs/dbraw/zinc/13/71/99/494137199.db2.gz GLODTYQRRWOTSE-GOSISDBHSA-N 2 2 354.498 3.010 10 0 FGAELP C[C@@H]1CCC[NH+](CCOc2ccccc2C[N@@H+]2CCn3cncc3C2)C1 ZINC000072154743 494137202 /nfs/dbraw/zinc/13/72/02/494137202.db2.gz GLODTYQRRWOTSE-GOSISDBHSA-N 2 2 354.498 3.010 10 0 FGAELP C[C@@H]1CCC[NH+](CCOc2ccccc2C[N@H+]2CCn3cncc3C2)C1 ZINC000072154743 494137205 /nfs/dbraw/zinc/13/72/05/494137205.db2.gz GLODTYQRRWOTSE-GOSISDBHSA-N 2 2 354.498 3.010 10 0 FGAELP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000121394563 494735128 /nfs/dbraw/zinc/73/51/28/494735128.db2.gz UHGNWDTWXRQZFZ-GOSISDBHSA-N 2 2 355.486 3.329 10 0 FGAELP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000121394563 494735141 /nfs/dbraw/zinc/73/51/41/494735141.db2.gz UHGNWDTWXRQZFZ-GOSISDBHSA-N 2 2 355.486 3.329 10 0 FGAELP COc1cc2c(c(C[N@@H+]3CC[C@H](CNc4cccc[nH+]4)C3)c1)O[C@@H](C)C2 ZINC000092812422 494757315 /nfs/dbraw/zinc/75/73/15/494757315.db2.gz YQPXFWKTZKPUET-JKSUJKDBSA-N 2 2 353.466 3.348 10 0 FGAELP COc1cc2c(c(C[N@H+]3CC[C@H](CNc4cccc[nH+]4)C3)c1)O[C@@H](C)C2 ZINC000092812422 494757320 /nfs/dbraw/zinc/75/73/20/494757320.db2.gz YQPXFWKTZKPUET-JKSUJKDBSA-N 2 2 353.466 3.348 10 0 FGAELP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2cccc(-c3cccnc3)c2)nc[nH+]1 ZINC000132299838 494853389 /nfs/dbraw/zinc/85/33/89/494853389.db2.gz UOBMBVCKBAHBDY-FQEVSTJZSA-N 2 2 374.492 3.339 10 0 FGAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)C1 ZINC000132991938 494953602 /nfs/dbraw/zinc/95/36/02/494953602.db2.gz HNMCPTXEWJNEFT-MAUKXSAKSA-N 2 2 351.922 3.151 10 0 FGAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)C1 ZINC000132991938 494953605 /nfs/dbraw/zinc/95/36/05/494953605.db2.gz HNMCPTXEWJNEFT-MAUKXSAKSA-N 2 2 351.922 3.151 10 0 FGAELP C[C@H]1CCCN(c2cc(NC3CC[NH+](Cc4ccccn4)CC3)nc[nH+]2)C1 ZINC000110228398 494960104 /nfs/dbraw/zinc/96/01/04/494960104.db2.gz URYVDUNRTXIGLW-KRWDZBQOSA-N 2 2 366.513 3.184 10 0 FGAELP C[C@H]1CCCN(c2cc(NC3CC[NH+](Cc4ccccn4)CC3)[nH+]cn2)C1 ZINC000110228398 494960107 /nfs/dbraw/zinc/96/01/07/494960107.db2.gz URYVDUNRTXIGLW-KRWDZBQOSA-N 2 2 366.513 3.184 10 0 FGAELP COc1ccc(-c2nc(C[N@@H+]3CC[C@H](CNc4cccc[nH+]4)C3)no2)cc1 ZINC000111212849 495048865 /nfs/dbraw/zinc/04/88/65/495048865.db2.gz RPHCWHNYAXRHAH-OAHLLOKOSA-N 2 2 365.437 3.074 10 0 FGAELP COc1ccc(-c2nc(C[N@H+]3CC[C@H](CNc4cccc[nH+]4)C3)no2)cc1 ZINC000111212849 495048868 /nfs/dbraw/zinc/04/88/68/495048868.db2.gz RPHCWHNYAXRHAH-OAHLLOKOSA-N 2 2 365.437 3.074 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@@H+]([C@@H](C)c3nc(-c4cccnc4)no3)C2)[nH+]1 ZINC000112979263 495263152 /nfs/dbraw/zinc/26/31/52/495263152.db2.gz HFOSOKXGGRFTLY-JKSUJKDBSA-N 2 2 364.453 3.330 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@H+]([C@@H](C)c3nc(-c4cccnc4)no3)C2)[nH+]1 ZINC000112979263 495263158 /nfs/dbraw/zinc/26/31/58/495263158.db2.gz HFOSOKXGGRFTLY-JKSUJKDBSA-N 2 2 364.453 3.330 10 0 FGAELP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2cc3cc(OC)ccc3o2)nc[nH+]1 ZINC000125121681 495393905 /nfs/dbraw/zinc/39/39/05/495393905.db2.gz MSPITMKTXTWYEC-OAHLLOKOSA-N 2 2 367.453 3.032 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NCCc2ccccc2C)C1 ZINC000106213915 495432283 /nfs/dbraw/zinc/43/22/83/495432283.db2.gz DPFYIXJBIXVNNP-ICSRJNTNSA-N 2 2 368.525 3.138 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)NCCc2ccccc2C)C1 ZINC000106213915 495432288 /nfs/dbraw/zinc/43/22/88/495432288.db2.gz DPFYIXJBIXVNNP-ICSRJNTNSA-N 2 2 368.525 3.138 10 0 FGAELP COc1ccc([C@@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000180210562 495909608 /nfs/dbraw/zinc/90/96/08/495909608.db2.gz ZLVCRNRCZDGAAJ-UNMCSNQZSA-N 2 2 354.494 3.221 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(SC)cc2)C1 ZINC000171523083 495912284 /nfs/dbraw/zinc/91/22/84/495912284.db2.gz VASVGMSBUZJMDW-MRXNPFEDSA-N 2 2 358.511 3.443 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(SC)cc2)C1 ZINC000171523083 495912287 /nfs/dbraw/zinc/91/22/87/495912287.db2.gz VASVGMSBUZJMDW-MRXNPFEDSA-N 2 2 358.511 3.443 10 0 FGAELP Cc1ccc2oc(N3CC[NH+](Cc4ccc(-n5cc[nH+]c5)nc4)CC3)nc2c1 ZINC000177129052 495938594 /nfs/dbraw/zinc/93/85/94/495938594.db2.gz GHEJQDYKCKZBBO-UHFFFAOYSA-N 2 2 374.448 3.039 10 0 FGAELP CCC[C@@H](NC(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)c1ccccc1 ZINC000171645719 495964417 /nfs/dbraw/zinc/96/44/17/495964417.db2.gz AINIZPIBSCJGNJ-UYAOXDASSA-N 2 2 366.509 3.473 10 0 FGAELP CCC[C@@H](NC(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)c1ccccc1 ZINC000171645719 495964422 /nfs/dbraw/zinc/96/44/22/495964422.db2.gz AINIZPIBSCJGNJ-UYAOXDASSA-N 2 2 366.509 3.473 10 0 FGAELP c1ccc(-c2noc(CCC[N@@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)n2)cc1 ZINC000171645147 495964712 /nfs/dbraw/zinc/96/47/12/495964712.db2.gz YCURUGGSYKJKMN-KRWDZBQOSA-N 2 2 363.465 3.498 10 0 FGAELP c1ccc(-c2noc(CCC[N@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)n2)cc1 ZINC000171645147 495964715 /nfs/dbraw/zinc/96/47/15/495964715.db2.gz YCURUGGSYKJKMN-KRWDZBQOSA-N 2 2 363.465 3.498 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)Nc3cc(F)cc(F)c3)C2)[nH+]1 ZINC000171650695 495970998 /nfs/dbraw/zinc/97/09/98/495970998.db2.gz QOWMQMVBUCANOI-AWEZNQCLSA-N 2 2 360.408 3.041 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)Nc3cc(F)cc(F)c3)C2)[nH+]1 ZINC000171650695 495971004 /nfs/dbraw/zinc/97/10/04/495971004.db2.gz QOWMQMVBUCANOI-AWEZNQCLSA-N 2 2 360.408 3.041 10 0 FGAELP CCc1ccc(NC(=O)C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)cc1 ZINC000171653126 495971918 /nfs/dbraw/zinc/97/19/18/495971918.db2.gz WYXRCJKWVXJLRN-GOSISDBHSA-N 2 2 352.482 3.325 10 0 FGAELP CCc1ccc(NC(=O)C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)cc1 ZINC000171653126 495971920 /nfs/dbraw/zinc/97/19/20/495971920.db2.gz WYXRCJKWVXJLRN-GOSISDBHSA-N 2 2 352.482 3.325 10 0 FGAELP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C12CCOCC2 ZINC000186384069 495976561 /nfs/dbraw/zinc/97/65/61/495976561.db2.gz JGHNKNPTQSMWPB-FYZZASKESA-N 2 2 358.526 3.213 10 0 FGAELP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)C12CCOCC2 ZINC000186384069 495976567 /nfs/dbraw/zinc/97/65/67/495976567.db2.gz JGHNKNPTQSMWPB-FYZZASKESA-N 2 2 358.526 3.213 10 0 FGAELP C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C(=O)NCc1cccs1 ZINC000180660515 496092911 /nfs/dbraw/zinc/09/29/11/496092911.db2.gz XJAIJVLWBWEAQK-LSDHHAIUSA-N 2 2 354.479 3.289 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1C(F)(F)F ZINC000178310984 496408094 /nfs/dbraw/zinc/40/80/94/496408094.db2.gz JWWGASYMHKEFRB-AWEZNQCLSA-N 2 2 366.387 3.313 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccccc1C(F)(F)F ZINC000178310984 496408101 /nfs/dbraw/zinc/40/81/01/496408101.db2.gz JWWGASYMHKEFRB-AWEZNQCLSA-N 2 2 366.387 3.313 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000178324670 496413384 /nfs/dbraw/zinc/41/33/84/496413384.db2.gz BWQBCYRIMLEJCO-CRAIPNDOSA-N 2 2 358.873 3.115 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000178324670 496413388 /nfs/dbraw/zinc/41/33/88/496413388.db2.gz BWQBCYRIMLEJCO-CRAIPNDOSA-N 2 2 358.873 3.115 10 0 FGAELP CCOc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178334433 496416577 /nfs/dbraw/zinc/41/65/77/496416577.db2.gz PNJVPOXMQXKBQX-NVXWUHKLSA-N 2 2 356.470 3.082 10 0 FGAELP CCOc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178334433 496416581 /nfs/dbraw/zinc/41/65/81/496416581.db2.gz PNJVPOXMQXKBQX-NVXWUHKLSA-N 2 2 356.470 3.082 10 0 FGAELP CC(C)(C)C(=O)N1CCC(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)CC1 ZINC000181712536 496513556 /nfs/dbraw/zinc/51/35/56/496513556.db2.gz STVOASCVLKWDRC-SFHVURJKSA-N 2 2 358.530 3.100 10 0 FGAELP CC(C)(C)C(=O)N1CCC(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)CC1 ZINC000181712536 496513558 /nfs/dbraw/zinc/51/35/58/496513558.db2.gz STVOASCVLKWDRC-SFHVURJKSA-N 2 2 358.530 3.100 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1nc(Cc2ccccc2C)no1 ZINC000175812113 496555200 /nfs/dbraw/zinc/55/52/00/496555200.db2.gz VNEVSSOWLKWLFK-SFHVURJKSA-N 2 2 351.454 3.138 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1nc(Cc2ccccc2C)no1 ZINC000175812113 496555207 /nfs/dbraw/zinc/55/52/07/496555207.db2.gz VNEVSSOWLKWLFK-SFHVURJKSA-N 2 2 351.454 3.138 10 0 FGAELP Cc1ccc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)cc1Oc1cc[nH+]cc1 ZINC000246976510 496740403 /nfs/dbraw/zinc/74/04/03/496740403.db2.gz ZXNMAKZODNAPLI-SJLPKXTDSA-N 2 2 351.450 3.491 10 0 FGAELP Cc1ccc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1Oc1cc[nH+]cc1 ZINC000246976510 496740405 /nfs/dbraw/zinc/74/04/05/496740405.db2.gz ZXNMAKZODNAPLI-SJLPKXTDSA-N 2 2 351.450 3.491 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@H](O)COc1c(C)ccc(C)c1C ZINC000247004725 496749477 /nfs/dbraw/zinc/74/94/77/496749477.db2.gz KXRZBWUBECZWRO-PMACEKPBSA-N 2 2 357.498 3.021 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@H](O)COc1c(C)ccc(C)c1C ZINC000247004725 496749478 /nfs/dbraw/zinc/74/94/78/496749478.db2.gz KXRZBWUBECZWRO-PMACEKPBSA-N 2 2 357.498 3.021 10 0 FGAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H]2CCCc3c(OC)cccc32)nc[nH+]1 ZINC000194921645 496761405 /nfs/dbraw/zinc/76/14/05/496761405.db2.gz LCBUWJOOFHHMCO-MAUKXSAKSA-N 2 2 367.497 3.163 10 0 FGAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](CCCOCC(F)(F)F)C1 ZINC000195250041 496861045 /nfs/dbraw/zinc/86/10/45/496861045.db2.gz VYQIFKWJMDOYTL-AWEZNQCLSA-N 2 2 365.465 3.174 10 0 FGAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](CCCOCC(F)(F)F)C1 ZINC000195250041 496861046 /nfs/dbraw/zinc/86/10/46/496861046.db2.gz VYQIFKWJMDOYTL-AWEZNQCLSA-N 2 2 365.465 3.174 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](CCCOCC(F)(F)F)C1 ZINC000195250041 496861048 /nfs/dbraw/zinc/86/10/48/496861048.db2.gz VYQIFKWJMDOYTL-AWEZNQCLSA-N 2 2 365.465 3.174 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](CCCOCC(F)(F)F)C1 ZINC000195250041 496861050 /nfs/dbraw/zinc/86/10/50/496861050.db2.gz VYQIFKWJMDOYTL-AWEZNQCLSA-N 2 2 365.465 3.174 10 0 FGAELP CCc1cccc(OCC[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000195291479 496877454 /nfs/dbraw/zinc/87/74/54/496877454.db2.gz JCZVPMZMVUDCFM-NRFANRHFSA-N 2 2 353.510 3.477 10 0 FGAELP CCc1cccc(OCC[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000195291479 496877459 /nfs/dbraw/zinc/87/74/59/496877459.db2.gz JCZVPMZMVUDCFM-NRFANRHFSA-N 2 2 353.510 3.477 10 0 FGAELP CCc1cccc(OCC[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)c1 ZINC000195291479 496877462 /nfs/dbraw/zinc/87/74/62/496877462.db2.gz JCZVPMZMVUDCFM-NRFANRHFSA-N 2 2 353.510 3.477 10 0 FGAELP CCc1cccc(OCC[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)c1 ZINC000195291479 496877465 /nfs/dbraw/zinc/87/74/65/496877465.db2.gz JCZVPMZMVUDCFM-NRFANRHFSA-N 2 2 353.510 3.477 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@@H](O)COc2c(C)cccc2C)C1 ZINC000247872344 496923769 /nfs/dbraw/zinc/92/37/69/496923769.db2.gz XTPNHOIFAKOMMU-RBUKOAKNSA-N 2 2 357.498 3.139 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@@H](O)COc2c(C)cccc2C)C1 ZINC000247872344 496923770 /nfs/dbraw/zinc/92/37/70/496923770.db2.gz XTPNHOIFAKOMMU-RBUKOAKNSA-N 2 2 357.498 3.139 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2nc(-c3ccccc3F)no2)C1 ZINC000189013367 496978116 /nfs/dbraw/zinc/97/81/16/496978116.db2.gz UQUMODCDZZPDIB-AWEZNQCLSA-N 2 2 355.417 3.472 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2nc(-c3ccccc3F)no2)C1 ZINC000189013367 496978121 /nfs/dbraw/zinc/97/81/21/496978121.db2.gz UQUMODCDZZPDIB-AWEZNQCLSA-N 2 2 355.417 3.472 10 0 FGAELP Fc1ccccc1-c1noc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)n1 ZINC000189040479 496988215 /nfs/dbraw/zinc/98/82/15/496988215.db2.gz DXUUASJPUAAEPT-CQSZACIVSA-N 2 2 353.401 3.205 10 0 FGAELP Fc1ccccc1-c1noc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)n1 ZINC000189040479 496988221 /nfs/dbraw/zinc/98/82/21/496988221.db2.gz DXUUASJPUAAEPT-CQSZACIVSA-N 2 2 353.401 3.205 10 0 FGAELP C[C@@H]1C[C@@H](C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)CC(C)(C)C1 ZINC000248536974 497032942 /nfs/dbraw/zinc/03/29/42/497032942.db2.gz HCIPQHLQTAMSMV-BNCGXOKJSA-N 2 2 361.574 3.218 10 0 FGAELP C[C@@H]1C[C@@H](C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CC(C)(C)C1 ZINC000248536974 497032945 /nfs/dbraw/zinc/03/29/45/497032945.db2.gz HCIPQHLQTAMSMV-BNCGXOKJSA-N 2 2 361.574 3.218 10 0 FGAELP CCO[C@@H]1C[C@@H]([NH2+][C@H](C[NH+]2CCCC2)c2ccccc2)C12CCOCC2 ZINC000248904193 497131518 /nfs/dbraw/zinc/13/15/18/497131518.db2.gz ATPWMDQKKZKBJK-NJDAHSKKSA-N 2 2 358.526 3.387 10 0 FGAELP O[C@@H](C[NH2+][C@H]1CCCOc2ccc(F)cc21)C[N@@H+]1CCc2ccccc2C1 ZINC000253358997 497327969 /nfs/dbraw/zinc/32/79/69/497327969.db2.gz ZQJHMHSNMJXYOW-FPOVZHCZSA-N 2 2 370.468 3.048 10 0 FGAELP O[C@@H](C[NH2+][C@H]1CCCOc2ccc(F)cc21)C[N@H+]1CCc2ccccc2C1 ZINC000253358997 497327972 /nfs/dbraw/zinc/32/79/72/497327972.db2.gz ZQJHMHSNMJXYOW-FPOVZHCZSA-N 2 2 370.468 3.048 10 0 FGAELP CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000190194454 497393977 /nfs/dbraw/zinc/39/39/77/497393977.db2.gz GERAQVPIRJLZIS-SFHVURJKSA-N 2 2 369.513 3.451 10 0 FGAELP CCn1c2cccc(F)c2nc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261608279 497418802 /nfs/dbraw/zinc/41/88/02/497418802.db2.gz BOYRYRDMTLENII-SJORKVTESA-N 2 2 352.457 3.370 10 0 FGAELP CCn1c2cccc(F)c2nc1C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261608279 497418807 /nfs/dbraw/zinc/41/88/07/497418807.db2.gz BOYRYRDMTLENII-SJORKVTESA-N 2 2 352.457 3.370 10 0 FGAELP [NH3+]Cc1nc(C[N@H+](Cc2ccccc2C(F)(F)F)C2CCCC2)no1 ZINC000261623549 497421651 /nfs/dbraw/zinc/42/16/51/497421651.db2.gz DDYKEOYNZAFUTL-UHFFFAOYSA-N 2 2 354.376 3.492 10 0 FGAELP [NH3+]Cc1nc(C[N@@H+](Cc2ccccc2C(F)(F)F)C2CCCC2)no1 ZINC000261623549 497421656 /nfs/dbraw/zinc/42/16/56/497421656.db2.gz DDYKEOYNZAFUTL-UHFFFAOYSA-N 2 2 354.376 3.492 10 0 FGAELP Cn1cc[nH+]c1CN(Cc1sccc1Cl)[C@H]1CC12CC[NH2+]CC2 ZINC000261751447 497444058 /nfs/dbraw/zinc/44/40/58/497444058.db2.gz CEZLXKGHRMKPKN-HNNXBMFYSA-N 2 2 350.919 3.279 10 0 FGAELP [NH3+][C@H](C(=O)Nc1ccc2[nH]c(C3CCCCC3)[nH+]c2c1)C1CCOCC1 ZINC000261822688 497456129 /nfs/dbraw/zinc/45/61/29/497456129.db2.gz PMFZRUCBIQLPQL-SFHVURJKSA-N 2 2 356.470 3.303 10 0 FGAELP Cc1c(Cl)cccc1NC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261819607 497456989 /nfs/dbraw/zinc/45/69/89/497456989.db2.gz SFJVOBOKSNXGEY-SJORKVTESA-N 2 2 357.885 3.261 10 0 FGAELP Cc1c(Cl)cccc1NC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261819607 497456991 /nfs/dbraw/zinc/45/69/91/497456991.db2.gz SFJVOBOKSNXGEY-SJORKVTESA-N 2 2 357.885 3.261 10 0 FGAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccc3c(c2)OCCO3)C1 ZINC000190466373 497490969 /nfs/dbraw/zinc/49/09/69/497490969.db2.gz LQYNYQIAXYXWOL-QGZVFWFLSA-N 2 2 373.522 3.177 10 0 FGAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc3c(c2)OCCO3)C1 ZINC000190466373 497490974 /nfs/dbraw/zinc/49/09/74/497490974.db2.gz LQYNYQIAXYXWOL-QGZVFWFLSA-N 2 2 373.522 3.177 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc3c(c2)OCCO3)C1 ZINC000190466373 497490976 /nfs/dbraw/zinc/49/09/76/497490976.db2.gz LQYNYQIAXYXWOL-QGZVFWFLSA-N 2 2 373.522 3.177 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc3c(c2)OCCO3)C1 ZINC000190466373 497490980 /nfs/dbraw/zinc/49/09/80/497490980.db2.gz LQYNYQIAXYXWOL-QGZVFWFLSA-N 2 2 373.522 3.177 10 0 FGAELP [NH3+]Cc1nc(C[NH+]2CCC(Cc3cc(Cl)ccc3Cl)CC2)no1 ZINC000262149952 497515939 /nfs/dbraw/zinc/51/59/39/497515939.db2.gz FXBGKQLCXYKDSG-UHFFFAOYSA-N 2 2 355.269 3.290 10 0 FGAELP C[C@H](NC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)c1ccccc1Cl ZINC000262295901 497536205 /nfs/dbraw/zinc/53/62/05/497536205.db2.gz WRTHTTNVMKZSPW-WDYCEAGBSA-N 2 2 371.912 3.192 10 0 FGAELP C[C@H](NC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)c1ccccc1Cl ZINC000262295901 497536209 /nfs/dbraw/zinc/53/62/09/497536209.db2.gz WRTHTTNVMKZSPW-WDYCEAGBSA-N 2 2 371.912 3.192 10 0 FGAELP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000246538344 497768636 /nfs/dbraw/zinc/76/86/36/497768636.db2.gz JRZPVQRIZFOHEM-VKRLORBYSA-N 2 2 355.526 3.201 10 0 FGAELP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000246538344 497768639 /nfs/dbraw/zinc/76/86/39/497768639.db2.gz JRZPVQRIZFOHEM-VKRLORBYSA-N 2 2 355.526 3.201 10 0 FGAELP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000246538344 497768640 /nfs/dbraw/zinc/76/86/40/497768640.db2.gz JRZPVQRIZFOHEM-VKRLORBYSA-N 2 2 355.526 3.201 10 0 FGAELP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000246538344 497768642 /nfs/dbraw/zinc/76/86/42/497768642.db2.gz JRZPVQRIZFOHEM-VKRLORBYSA-N 2 2 355.526 3.201 10 0 FGAELP C[C@@H](NC(=O)NCCC[N@@H+]1CCCC[C@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000246568455 497776829 /nfs/dbraw/zinc/77/68/29/497776829.db2.gz ZGLXWQHZNIUAPE-QZTJIDSGSA-N 2 2 369.513 3.497 10 0 FGAELP C[C@@H](NC(=O)NCCC[N@H+]1CCCC[C@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000246568455 497776836 /nfs/dbraw/zinc/77/68/36/497776836.db2.gz ZGLXWQHZNIUAPE-QZTJIDSGSA-N 2 2 369.513 3.497 10 0 FGAELP Cn1nccc1[C@H]1[C@H](C[N@@H+](C)Cc2cccc3[nH]ccc32)CCC[NH+]1C ZINC000284754042 497889286 /nfs/dbraw/zinc/88/92/86/497889286.db2.gz FOZMPCJPPPMCSA-LAUBAEHRSA-N 2 2 351.498 3.416 10 0 FGAELP Cn1nccc1[C@H]1[C@H](C[NH+](C)Cc2cccc3[nH]ccc32)CCC[N@H+]1C ZINC000284754042 497889296 /nfs/dbraw/zinc/88/92/96/497889296.db2.gz FOZMPCJPPPMCSA-LAUBAEHRSA-N 2 2 351.498 3.416 10 0 FGAELP Cn1nccc1[C@H]1[C@H](C[N@H+](C)Cc2cccc3[nH]ccc32)CCC[NH+]1C ZINC000284754042 497889280 /nfs/dbraw/zinc/88/92/80/497889280.db2.gz FOZMPCJPPPMCSA-LAUBAEHRSA-N 2 2 351.498 3.416 10 0 FGAELP Cn1nccc1[C@H]1[C@H](C[NH+](C)Cc2cccc3[nH]ccc32)CCC[N@@H+]1C ZINC000284754042 497889292 /nfs/dbraw/zinc/88/92/92/497889292.db2.gz FOZMPCJPPPMCSA-LAUBAEHRSA-N 2 2 351.498 3.416 10 0 FGAELP CN(C)c1ccc(N[C@@H]2CCC[N@H+](Cc3cccc(C(N)=O)c3)CC2)c[nH+]1 ZINC000328626864 498880596 /nfs/dbraw/zinc/88/05/96/498880596.db2.gz FODIPVBBNDSFOU-GOSISDBHSA-N 2 2 367.497 3.498 10 0 FGAELP CN(C)c1ccc(N[C@@H]2CCC[N@@H+](Cc3cccc(C(N)=O)c3)CC2)c[nH+]1 ZINC000328626864 498880599 /nfs/dbraw/zinc/88/05/99/498880599.db2.gz FODIPVBBNDSFOU-GOSISDBHSA-N 2 2 367.497 3.498 10 0 FGAELP Clc1cc(Br)ccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000262029118 713717358 /nfs/dbraw/zinc/71/73/58/713717358.db2.gz XJIFJFLGLWCFCP-IMJJTQAJSA-N 2 2 373.722 3.349 10 0 FGAELP Cc1ccc(C[NH+]2CCC([N@@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)s1 ZINC000023338716 211384894 /nfs/dbraw/zinc/38/48/94/211384894.db2.gz RTFIFMMZPBIWJB-INIZCTEOSA-N 2 2 361.555 3.012 10 0 FGAELP Cc1ccc(C[NH+]2CCC([N@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)s1 ZINC000023338716 211384897 /nfs/dbraw/zinc/38/48/97/211384897.db2.gz RTFIFMMZPBIWJB-INIZCTEOSA-N 2 2 361.555 3.012 10 0 FGAELP C[C@@H](NC(=O)NCCC[NH+]1CCCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000073536409 494384736 /nfs/dbraw/zinc/38/47/36/494384736.db2.gz GJFOAXKSWXVJOO-QGZVFWFLSA-N 2 2 355.486 3.109 10 0 FGAELP CCOCC[N@@H+]1CCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)C[C@H]1C ZINC000117278044 494907059 /nfs/dbraw/zinc/90/70/59/494907059.db2.gz KCGJZVQXCNDGLP-QGZVFWFLSA-N 2 2 369.465 3.057 10 0 FGAELP CCOCC[N@H+]1CCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)C[C@H]1C ZINC000117278044 494907061 /nfs/dbraw/zinc/90/70/61/494907061.db2.gz KCGJZVQXCNDGLP-QGZVFWFLSA-N 2 2 369.465 3.057 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2noc(-c3ccc(OC)cc3)n2)C1 ZINC000111229474 495051469 /nfs/dbraw/zinc/05/14/69/495051469.db2.gz DEVNOGHQXIDKTC-MRXNPFEDSA-N 2 2 367.453 3.341 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2noc(-c3ccc(OC)cc3)n2)C1 ZINC000111229474 495051473 /nfs/dbraw/zinc/05/14/73/495051473.db2.gz DEVNOGHQXIDKTC-MRXNPFEDSA-N 2 2 367.453 3.341 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)N2c3ccccc3CC[C@@H]2C)C1 ZINC000106214629 495432959 /nfs/dbraw/zinc/43/29/59/495432959.db2.gz FTVUNMSILCXKRS-HKUYNNGSSA-N 2 2 366.509 3.450 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)N2c3ccccc3CC[C@@H]2C)C1 ZINC000106214629 495432965 /nfs/dbraw/zinc/43/29/65/495432965.db2.gz FTVUNMSILCXKRS-HKUYNNGSSA-N 2 2 366.509 3.450 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(C(C)=O)cc2)C1 ZINC000106214374 495433210 /nfs/dbraw/zinc/43/32/10/495433210.db2.gz YDQCDEKQRXKQPF-IBGZPJMESA-N 2 2 368.481 3.314 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C(C)=O)cc2)C1 ZINC000106214374 495433213 /nfs/dbraw/zinc/43/32/13/495433213.db2.gz YDQCDEKQRXKQPF-IBGZPJMESA-N 2 2 368.481 3.314 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(F)c(F)c2)C1 ZINC000106215181 495434973 /nfs/dbraw/zinc/43/49/73/495434973.db2.gz LHYPYQYAIMTMTA-DZGCQCFKSA-N 2 2 362.424 3.388 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(F)c(F)c2)C1 ZINC000106215181 495434974 /nfs/dbraw/zinc/43/49/74/495434974.db2.gz LHYPYQYAIMTMTA-DZGCQCFKSA-N 2 2 362.424 3.388 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)NCc2ccc(Cl)cc2)C1 ZINC000106216792 495434990 /nfs/dbraw/zinc/43/49/90/495434990.db2.gz UXHWQOHYJXGXHE-KRWDZBQOSA-N 2 2 360.889 3.052 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(Cl)cc2)C1 ZINC000106216792 495434991 /nfs/dbraw/zinc/43/49/91/495434991.db2.gz UXHWQOHYJXGXHE-KRWDZBQOSA-N 2 2 360.889 3.052 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1nc(-c2ccc(F)c(C)c2)no1 ZINC000151438981 495839765 /nfs/dbraw/zinc/83/97/65/495839765.db2.gz DHKYGAJOPXCJPG-INIZCTEOSA-N 2 2 355.417 3.354 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1nc(-c2ccc(F)c(C)c2)no1 ZINC000151438981 495839766 /nfs/dbraw/zinc/83/97/66/495839766.db2.gz DHKYGAJOPXCJPG-INIZCTEOSA-N 2 2 355.417 3.354 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cc(O)ccc1Br ZINC000180130579 495871253 /nfs/dbraw/zinc/87/12/53/495871253.db2.gz ROYVCBCNFLXUFY-CQSZACIVSA-N 2 2 350.260 3.324 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cc(O)ccc1Br ZINC000180130579 495871261 /nfs/dbraw/zinc/87/12/61/495871261.db2.gz ROYVCBCNFLXUFY-CQSZACIVSA-N 2 2 350.260 3.324 10 0 FGAELP CCOc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171644262 495963889 /nfs/dbraw/zinc/96/38/89/495963889.db2.gz UDDBLSIEXPYEOD-DLBZAZTESA-N 2 2 368.481 3.241 10 0 FGAELP CCOc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171644262 495963896 /nfs/dbraw/zinc/96/38/96/495963896.db2.gz UDDBLSIEXPYEOD-DLBZAZTESA-N 2 2 368.481 3.241 10 0 FGAELP C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171646437 495966211 /nfs/dbraw/zinc/96/62/11/495966211.db2.gz IVXCWQYWXYKZFT-RCCFBDPRSA-N 2 2 352.482 3.081 10 0 FGAELP C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171646437 495966218 /nfs/dbraw/zinc/96/62/18/495966218.db2.gz IVXCWQYWXYKZFT-RCCFBDPRSA-N 2 2 352.482 3.081 10 0 FGAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](CC(C)C)c2ccccn2)nc[nH+]1 ZINC000180573264 496049738 /nfs/dbraw/zinc/04/97/38/496049738.db2.gz MULDWURBHDEQSN-FUHWJXTLSA-N 2 2 354.502 3.259 10 0 FGAELP CCc1nc(NC(=O)C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)sc1C ZINC000180658719 496091053 /nfs/dbraw/zinc/09/10/53/496091053.db2.gz WVYGXPULPYRKFF-CYBMUJFWSA-N 2 2 369.494 3.489 10 0 FGAELP C[C@@H]([NH2+]C[C@@H](O)COCc1ccccc1F)c1cccc(-n2cc[nH+]c2)c1 ZINC000180663919 496093645 /nfs/dbraw/zinc/09/36/45/496093645.db2.gz MGFMDQJVIVZANW-OXQOHEQNSA-N 2 2 369.440 3.240 10 0 FGAELP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)c1ccccc1 ZINC000177518745 496094715 /nfs/dbraw/zinc/09/47/15/496094715.db2.gz AEFNCESNHHWJSK-PKOBYXMFSA-N 2 2 369.513 3.187 10 0 FGAELP C[C@@H]([NH2+]CC(=O)N([C@H](C)C1CC1)C1CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180666230 496095290 /nfs/dbraw/zinc/09/52/90/496095290.db2.gz STLKXXCVYFFFLN-HZPDHXFCSA-N 2 2 352.482 3.312 10 0 FGAELP C[C@@H]([NH2+]CC(=O)N[C@@H](C)c1cccs1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180671713 496097625 /nfs/dbraw/zinc/09/76/25/496097625.db2.gz XBJZVKOLLOYOPK-CABCVRRESA-N 2 2 354.479 3.462 10 0 FGAELP C[C@H](NC(=O)NC1CC[NH+](CC2CC2)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000175232532 496301047 /nfs/dbraw/zinc/30/10/47/496301047.db2.gz ZUQFUBDKJCXQBL-INIZCTEOSA-N 2 2 367.497 3.107 10 0 FGAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)C1 ZINC000181284754 496339552 /nfs/dbraw/zinc/33/95/52/496339552.db2.gz UVJSSRNWBLOFJW-BEFAXECRSA-N 2 2 363.933 3.263 10 0 FGAELP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)C1 ZINC000181284754 496339561 /nfs/dbraw/zinc/33/95/61/496339561.db2.gz UVJSSRNWBLOFJW-BEFAXECRSA-N 2 2 363.933 3.263 10 0 FGAELP CCOc1ccc(-c2noc(C[N@@H+]3CCC[C@H]3Cn3cc[nH+]c3C)n2)cc1 ZINC000178285325 496398655 /nfs/dbraw/zinc/39/86/55/496398655.db2.gz HTUSDGMKDHPCSL-KRWDZBQOSA-N 2 2 367.453 3.305 10 0 FGAELP CCOc1ccc(-c2noc(C[N@H+]3CCC[C@H]3Cn3cc[nH+]c3C)n2)cc1 ZINC000178285325 496398664 /nfs/dbraw/zinc/39/86/64/496398664.db2.gz HTUSDGMKDHPCSL-KRWDZBQOSA-N 2 2 367.453 3.305 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000178318003 496411089 /nfs/dbraw/zinc/41/10/89/496411089.db2.gz MTRVDBQTSMVYHF-SFHVURJKSA-N 2 2 362.518 3.303 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000178318003 496411094 /nfs/dbraw/zinc/41/10/94/496411094.db2.gz MTRVDBQTSMVYHF-SFHVURJKSA-N 2 2 362.518 3.303 10 0 FGAELP COc1cc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)ccc1OC(F)F ZINC000178328670 496415376 /nfs/dbraw/zinc/41/53/76/496415376.db2.gz FUYDEGCFEVEFIA-HNNXBMFYSA-N 2 2 351.397 3.466 10 0 FGAELP COc1cc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)ccc1OC(F)F ZINC000178328670 496415380 /nfs/dbraw/zinc/41/53/80/496415380.db2.gz FUYDEGCFEVEFIA-HNNXBMFYSA-N 2 2 351.397 3.466 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccc(OCc2nccn2C)cc1 ZINC000178748399 496558746 /nfs/dbraw/zinc/55/87/46/496558746.db2.gz OVZMBIOEAOMDRF-LJQANCHMSA-N 2 2 365.481 3.169 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccc(OCc2nccn2C)cc1 ZINC000178748399 496558752 /nfs/dbraw/zinc/55/87/52/496558752.db2.gz OVZMBIOEAOMDRF-LJQANCHMSA-N 2 2 365.481 3.169 10 0 FGAELP Cc1[nH+]ccn1CCCCNC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173422648 496686201 /nfs/dbraw/zinc/68/62/01/496686201.db2.gz JDJMVVASJGLLEY-MRXNPFEDSA-N 2 2 366.469 3.218 10 0 FGAELP Cc1nc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)nc2ccccc12 ZINC000195270179 496870915 /nfs/dbraw/zinc/87/09/15/496870915.db2.gz HCSZZFOZBOGQQV-LJQANCHMSA-N 2 2 361.493 3.287 10 0 FGAELP Cc1nc(C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)nc2ccccc12 ZINC000195270179 496870916 /nfs/dbraw/zinc/87/09/16/496870916.db2.gz HCSZZFOZBOGQQV-LJQANCHMSA-N 2 2 361.493 3.287 10 0 FGAELP Cc1nc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)nc2ccccc12 ZINC000195270179 496870918 /nfs/dbraw/zinc/87/09/18/496870918.db2.gz HCSZZFOZBOGQQV-LJQANCHMSA-N 2 2 361.493 3.287 10 0 FGAELP Cc1nc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)nc2ccccc12 ZINC000195270179 496870919 /nfs/dbraw/zinc/87/09/19/496870919.db2.gz HCSZZFOZBOGQQV-LJQANCHMSA-N 2 2 361.493 3.287 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N2c3ccccc3C[C@H]2C)C1 ZINC000247735222 496910310 /nfs/dbraw/zinc/91/03/10/496910310.db2.gz MQYUYSWRHGQJGL-SJLPKXTDSA-N 2 2 352.482 3.060 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N2c3ccccc3C[C@H]2C)C1 ZINC000247735222 496910313 /nfs/dbraw/zinc/91/03/13/496910313.db2.gz MQYUYSWRHGQJGL-SJLPKXTDSA-N 2 2 352.482 3.060 10 0 FGAELP CCC[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)[NH+](C)C ZINC000247856808 496921140 /nfs/dbraw/zinc/92/11/40/496921140.db2.gz YPRSCOJZQYLXCG-BBWFWOEESA-N 2 2 355.885 3.071 10 0 FGAELP CCC[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)[NH+](C)C ZINC000247856808 496921145 /nfs/dbraw/zinc/92/11/45/496921145.db2.gz YPRSCOJZQYLXCG-BBWFWOEESA-N 2 2 355.885 3.071 10 0 FGAELP O[C@@H](C[NH2+][C@H]1CCCOc2cc(F)ccc21)C[N@@H+]1CCc2ccccc2C1 ZINC000248434057 497010820 /nfs/dbraw/zinc/01/08/20/497010820.db2.gz DTBLEXZRAIEYBB-FPOVZHCZSA-N 2 2 370.468 3.048 10 0 FGAELP O[C@@H](C[NH2+][C@H]1CCCOc2cc(F)ccc21)C[N@H+]1CCc2ccccc2C1 ZINC000248434057 497010824 /nfs/dbraw/zinc/01/08/24/497010824.db2.gz DTBLEXZRAIEYBB-FPOVZHCZSA-N 2 2 370.468 3.048 10 0 FGAELP Cn1c2ccccc2[nH+]c1N1CCC[C@H]([N@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000192268312 497056079 /nfs/dbraw/zinc/05/60/79/497056079.db2.gz XUCREWHLLLMKHT-INIZCTEOSA-N 2 2 372.513 3.206 10 0 FGAELP Cn1c2ccccc2[nH+]c1N1CCC[C@H]([N@@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000192268312 497056083 /nfs/dbraw/zinc/05/60/83/497056083.db2.gz XUCREWHLLLMKHT-INIZCTEOSA-N 2 2 372.513 3.206 10 0 FGAELP CC(C)[C@@H](NC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)c1ccccc1 ZINC000261863038 497464239 /nfs/dbraw/zinc/46/42/39/497464239.db2.gz WQOMVTIZUNHSSJ-FUPPJEDESA-N 2 2 365.521 3.174 10 0 FGAELP CC(C)[C@@H](NC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)c1ccccc1 ZINC000261863038 497464241 /nfs/dbraw/zinc/46/42/41/497464241.db2.gz WQOMVTIZUNHSSJ-FUPPJEDESA-N 2 2 365.521 3.174 10 0 FGAELP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246088711 497618206 /nfs/dbraw/zinc/61/82/06/497618206.db2.gz GAVMOJVEDIXZIL-LPHOPBHVSA-N 2 2 368.481 3.241 10 0 FGAELP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246088711 497618210 /nfs/dbraw/zinc/61/82/10/497618210.db2.gz GAVMOJVEDIXZIL-LPHOPBHVSA-N 2 2 368.481 3.241 10 0 FGAELP C[N@H+](Cc1ccccc1CNC(=O)[C@H]1CC(F)(F)C[NH2+]1)C1CCCCC1 ZINC000262933361 497660097 /nfs/dbraw/zinc/66/00/97/497660097.db2.gz IAHCDTZKZJRHKE-GOSISDBHSA-N 2 2 365.468 3.065 10 0 FGAELP C[N@@H+](Cc1ccccc1CNC(=O)[C@H]1CC(F)(F)C[NH2+]1)C1CCCCC1 ZINC000262933361 497660104 /nfs/dbraw/zinc/66/01/04/497660104.db2.gz IAHCDTZKZJRHKE-GOSISDBHSA-N 2 2 365.468 3.065 10 0 FGAELP Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246206429 497660373 /nfs/dbraw/zinc/66/03/73/497660373.db2.gz YNLDMRRGJDFZQQ-ROUUACIJSA-N 2 2 352.482 3.459 10 0 FGAELP Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246206429 497660378 /nfs/dbraw/zinc/66/03/78/497660378.db2.gz YNLDMRRGJDFZQQ-ROUUACIJSA-N 2 2 352.482 3.459 10 0 FGAELP O=C1[C@@H]([N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CCN1c1ccc(Cl)cc1 ZINC000246210569 497661965 /nfs/dbraw/zinc/66/19/65/497661965.db2.gz OUMYKXFZKNAXOS-QAPCUYQASA-N 2 2 370.884 3.274 10 0 FGAELP O=C1[C@@H]([N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CCN1c1ccc(Cl)cc1 ZINC000246210569 497661968 /nfs/dbraw/zinc/66/19/68/497661968.db2.gz OUMYKXFZKNAXOS-QAPCUYQASA-N 2 2 370.884 3.274 10 0 FGAELP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000246538330 497767915 /nfs/dbraw/zinc/76/79/15/497767915.db2.gz JRZPVQRIZFOHEM-NEOGFGCTSA-N 2 2 355.526 3.201 10 0 FGAELP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000246538330 497767921 /nfs/dbraw/zinc/76/79/21/497767921.db2.gz JRZPVQRIZFOHEM-NEOGFGCTSA-N 2 2 355.526 3.201 10 0 FGAELP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000246538330 497767926 /nfs/dbraw/zinc/76/79/26/497767926.db2.gz JRZPVQRIZFOHEM-NEOGFGCTSA-N 2 2 355.526 3.201 10 0 FGAELP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000246538330 497767929 /nfs/dbraw/zinc/76/79/29/497767929.db2.gz JRZPVQRIZFOHEM-NEOGFGCTSA-N 2 2 355.526 3.201 10 0 FGAELP CC[C@H]1CN(c2cncc(-n3cc[nH+]c3C)n2)CC[N@@H+]1Cc1ccccc1 ZINC000302150409 498418870 /nfs/dbraw/zinc/41/88/70/498418870.db2.gz JYTDDGHWIAARAK-IBGZPJMESA-N 2 2 362.481 3.072 10 0 FGAELP CC[C@H]1CN(c2cncc(-n3cc[nH+]c3C)n2)CC[N@H+]1Cc1ccccc1 ZINC000302150409 498418875 /nfs/dbraw/zinc/41/88/75/498418875.db2.gz JYTDDGHWIAARAK-IBGZPJMESA-N 2 2 362.481 3.072 10 0 FGAELP O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1)C1([NH+]2CCCC2)CCCC1 ZINC000014972951 211107889 /nfs/dbraw/zinc/10/78/89/211107889.db2.gz LGHZIUVSHWOJCU-LJQANCHMSA-N 2 2 373.516 3.315 10 0 FGAELP O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2F)C1)C1([NH+]2CCCC2)CCCC1 ZINC000014972951 211107897 /nfs/dbraw/zinc/10/78/97/211107897.db2.gz LGHZIUVSHWOJCU-LJQANCHMSA-N 2 2 373.516 3.315 10 0 FGAELP Cc1ccccc1[C@@H]1CC[N@@H+](CC[NH2+]C2CCN(C(=O)C(C)C)CC2)C1 ZINC000065407046 221214592 /nfs/dbraw/zinc/21/45/92/221214592.db2.gz DQPPRVOMBVQVIO-LJQANCHMSA-N 2 2 357.542 3.021 10 0 FGAELP Cc1ccccc1[C@@H]1CC[N@H+](CC[NH2+]C2CCN(C(=O)C(C)C)CC2)C1 ZINC000065407046 221214594 /nfs/dbraw/zinc/21/45/94/221214594.db2.gz DQPPRVOMBVQVIO-LJQANCHMSA-N 2 2 357.542 3.021 10 0 FGAELP CCC[C@H](C(=O)N1CCC(n2c(CC)[nH+]c3ccccc32)CC1)[NH+](C)C ZINC000093022208 494810957 /nfs/dbraw/zinc/81/09/57/494810957.db2.gz OZLMECIFBHCSDQ-LJQANCHMSA-N 2 2 356.514 3.493 10 0 FGAELP C[C@@H]1CCCN(c2cc(NC3CC[NH+](Cc4ccccn4)CC3)nc[nH+]2)C1 ZINC000110228396 494959827 /nfs/dbraw/zinc/95/98/27/494959827.db2.gz URYVDUNRTXIGLW-QGZVFWFLSA-N 2 2 366.513 3.184 10 0 FGAELP C[C@@H]1CCCN(c2cc(NC3CC[NH+](Cc4ccccn4)CC3)[nH+]cn2)C1 ZINC000110228396 494959829 /nfs/dbraw/zinc/95/98/29/494959829.db2.gz URYVDUNRTXIGLW-QGZVFWFLSA-N 2 2 366.513 3.184 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2c(OC)cc(OC)cc2OC)C1 ZINC000122919155 495053335 /nfs/dbraw/zinc/05/33/35/495053335.db2.gz ZFYUXGCOEGXOMC-OAHLLOKOSA-N 2 2 359.470 3.308 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2c(OC)cc(OC)cc2OC)C1 ZINC000122919155 495053338 /nfs/dbraw/zinc/05/33/38/495053338.db2.gz ZFYUXGCOEGXOMC-OAHLLOKOSA-N 2 2 359.470 3.308 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@@H]3CCN(c4ccccc4F)C3=O)C2)[nH+]1 ZINC000112340693 495177455 /nfs/dbraw/zinc/17/74/55/495177455.db2.gz PNZLWWGMHORXGQ-QFBILLFUSA-N 2 2 368.456 3.068 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@H+]([C@@H]3CCN(c4ccccc4F)C3=O)C2)[nH+]1 ZINC000112340693 495177457 /nfs/dbraw/zinc/17/74/57/495177457.db2.gz PNZLWWGMHORXGQ-QFBILLFUSA-N 2 2 368.456 3.068 10 0 FGAELP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2cnc(C3CCCC3)s2)nc[nH+]1 ZINC000136071827 495354385 /nfs/dbraw/zinc/35/43/85/495354385.db2.gz YRPNSXIZNNYQIN-HNNXBMFYSA-N 2 2 372.542 3.391 10 0 FGAELP C[N@H+](Cc1ccc(C(F)(F)F)cc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000106129581 495418685 /nfs/dbraw/zinc/41/86/85/495418685.db2.gz OANQPCOWPHOHRM-UHFFFAOYSA-N 2 2 366.431 3.498 10 0 FGAELP C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000106129581 495418687 /nfs/dbraw/zinc/41/86/87/495418687.db2.gz OANQPCOWPHOHRM-UHFFFAOYSA-N 2 2 366.431 3.498 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C(=O)NC2CC2)c2ccc(F)cc2)C1 ZINC000106212069 495432556 /nfs/dbraw/zinc/43/25/56/495432556.db2.gz KQGGBFJDOYJVCR-QUCCMNQESA-N 2 2 370.472 3.241 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C(=O)NC2CC2)c2ccc(F)cc2)C1 ZINC000106212069 495432560 /nfs/dbraw/zinc/43/25/60/495432560.db2.gz KQGGBFJDOYJVCR-QUCCMNQESA-N 2 2 370.472 3.241 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)c2[nH]c(C)c(C(C)=O)c2CC)C1 ZINC000106211963 495432809 /nfs/dbraw/zinc/43/28/09/495432809.db2.gz WPZQQQZWRUMICS-INIZCTEOSA-N 2 2 370.497 3.367 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)c2[nH]c(C)c(C(C)=O)c2CC)C1 ZINC000106211963 495432814 /nfs/dbraw/zinc/43/28/14/495432814.db2.gz WPZQQQZWRUMICS-INIZCTEOSA-N 2 2 370.497 3.367 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2nc(-c3ccc(OC)cc3)no2)C1 ZINC000106216144 495434948 /nfs/dbraw/zinc/43/49/48/495434948.db2.gz LFRNUPIJQAXVFJ-MRXNPFEDSA-N 2 2 367.453 3.341 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc(OC)cc3)no2)C1 ZINC000106216144 495434950 /nfs/dbraw/zinc/43/49/50/495434950.db2.gz LFRNUPIJQAXVFJ-MRXNPFEDSA-N 2 2 367.453 3.341 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1nc2ccc(C)cc2s1 ZINC000154543881 495649208 /nfs/dbraw/zinc/64/92/08/495649208.db2.gz KTULSAKKCZACIR-HNNXBMFYSA-N 2 2 369.494 3.213 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)Nc1nc2ccc(C)cc2s1 ZINC000154543881 495649216 /nfs/dbraw/zinc/64/92/16/495649216.db2.gz KTULSAKKCZACIR-HNNXBMFYSA-N 2 2 369.494 3.213 10 0 FGAELP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(F)cc1Br ZINC000151274945 495790342 /nfs/dbraw/zinc/79/03/42/495790342.db2.gz QFDUPVBCBVGNDY-GXTWGEPZSA-N 2 2 359.283 3.086 10 0 FGAELP Brc1ccc([C@@H]([NH2+]CCCn2cc[nH+]c2)c2cncnc2)cc1 ZINC000186073506 495845206 /nfs/dbraw/zinc/84/52/06/495845206.db2.gz ATVDNZXORDOBFD-QGZVFWFLSA-N 2 2 372.270 3.205 10 0 FGAELP CCc1nc(C)c([C@@H](C)[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)s1 ZINC000151767425 495940852 /nfs/dbraw/zinc/94/08/52/495940852.db2.gz UFGMKWFLFCRAPH-KDOFPFPSSA-N 2 2 359.539 3.084 10 0 FGAELP CCc1nc(C)c([C@@H](C)[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)s1 ZINC000151767425 495940854 /nfs/dbraw/zinc/94/08/54/495940854.db2.gz UFGMKWFLFCRAPH-KDOFPFPSSA-N 2 2 359.539 3.084 10 0 FGAELP CSc1ccc(NC(=O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171644059 495961656 /nfs/dbraw/zinc/96/16/56/495961656.db2.gz ZEXMJAUDOBKIRV-OAHLLOKOSA-N 2 2 356.495 3.176 10 0 FGAELP CSc1ccc(NC(=O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171644059 495961661 /nfs/dbraw/zinc/96/16/61/495961661.db2.gz ZEXMJAUDOBKIRV-OAHLLOKOSA-N 2 2 356.495 3.176 10 0 FGAELP Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1C ZINC000171643386 495961763 /nfs/dbraw/zinc/96/17/63/495961763.db2.gz ZWQYVONLJOKUKE-QZTJIDSGSA-N 2 2 352.482 3.459 10 0 FGAELP Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1C ZINC000171643386 495961771 /nfs/dbraw/zinc/96/17/71/495961771.db2.gz ZWQYVONLJOKUKE-QZTJIDSGSA-N 2 2 352.482 3.459 10 0 FGAELP Cc1c(O)ccc2c(C[N@@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)cc(=O)oc12 ZINC000171645860 495963693 /nfs/dbraw/zinc/96/36/93/495963693.db2.gz TVHJLXWFDWYTCH-HNNXBMFYSA-N 2 2 365.433 3.136 10 0 FGAELP Cc1c(O)ccc2c(C[N@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)cc(=O)oc12 ZINC000171645860 495963697 /nfs/dbraw/zinc/96/36/97/495963697.db2.gz TVHJLXWFDWYTCH-HNNXBMFYSA-N 2 2 365.433 3.136 10 0 FGAELP C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171644582 495964601 /nfs/dbraw/zinc/96/46/01/495964601.db2.gz VWODYOHUJHVKLW-NVXWUHKLSA-N 2 2 372.900 3.174 10 0 FGAELP C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171644582 495964605 /nfs/dbraw/zinc/96/46/05/495964605.db2.gz VWODYOHUJHVKLW-NVXWUHKLSA-N 2 2 372.900 3.174 10 0 FGAELP CCc1nc(NC(=O)C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)sc1C ZINC000171649260 495968276 /nfs/dbraw/zinc/96/82/76/495968276.db2.gz QIQCBDIXKYJZIY-HNNXBMFYSA-N 2 2 373.526 3.090 10 0 FGAELP CCc1nc(NC(=O)C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)sc1C ZINC000171649260 495968280 /nfs/dbraw/zinc/96/82/80/495968280.db2.gz QIQCBDIXKYJZIY-HNNXBMFYSA-N 2 2 373.526 3.090 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)N3CCCc4ccccc43)C2)[nH+]1 ZINC000171653093 495972652 /nfs/dbraw/zinc/97/26/52/495972652.db2.gz BPNAOQNCNIGBGW-GOSISDBHSA-N 2 2 364.493 3.103 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)N3CCCc4ccccc43)C2)[nH+]1 ZINC000171653093 495972659 /nfs/dbraw/zinc/97/26/59/495972659.db2.gz BPNAOQNCNIGBGW-GOSISDBHSA-N 2 2 364.493 3.103 10 0 FGAELP CCc1nc(C)c([C@H](C)[NH2+]C[C@H]2CCCN2c2cc(NC)[nH+]cn2)s1 ZINC000180565204 496046043 /nfs/dbraw/zinc/04/60/43/496046043.db2.gz HRJKPIOZUOHVND-GXTWGEPZSA-N 2 2 360.531 3.165 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@H](O)c1ccccc1C(F)(F)F ZINC000178335526 496417628 /nfs/dbraw/zinc/41/76/28/496417628.db2.gz FHIPOKXDDFGWSZ-YOEHRIQHSA-N 2 2 353.388 3.408 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@H](O)c1ccccc1C(F)(F)F ZINC000178335526 496417630 /nfs/dbraw/zinc/41/76/30/496417630.db2.gz FHIPOKXDDFGWSZ-YOEHRIQHSA-N 2 2 353.388 3.408 10 0 FGAELP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1c[nH+]c2ccc(Br)cn12 ZINC000182075657 496659756 /nfs/dbraw/zinc/65/97/56/496659756.db2.gz ABKPUWLYCZDEFK-HUUCEWRRSA-N 2 2 363.303 3.155 10 0 FGAELP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1c[nH+]c2ccc(Br)cn12 ZINC000182075657 496659760 /nfs/dbraw/zinc/65/97/60/496659760.db2.gz ABKPUWLYCZDEFK-HUUCEWRRSA-N 2 2 363.303 3.155 10 0 FGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000246988575 496744890 /nfs/dbraw/zinc/74/48/90/496744890.db2.gz KBSFARCAGCLNEW-WBVHZDCISA-N 2 2 351.922 3.151 10 0 FGAELP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000246988575 496744893 /nfs/dbraw/zinc/74/48/93/496744893.db2.gz KBSFARCAGCLNEW-WBVHZDCISA-N 2 2 351.922 3.151 10 0 FGAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000247053062 496764252 /nfs/dbraw/zinc/76/42/52/496764252.db2.gz NIVNCFLPXBZBNA-UKRRQHHQSA-N 2 2 373.419 3.376 10 0 FGAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000247053062 496764257 /nfs/dbraw/zinc/76/42/57/496764257.db2.gz NIVNCFLPXBZBNA-UKRRQHHQSA-N 2 2 373.419 3.376 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccc3c(c2)sc(=O)n3C)C1 ZINC000195014355 496791256 /nfs/dbraw/zinc/79/12/56/496791256.db2.gz DFKDMTAEBLCUGH-OAHLLOKOSA-N 2 2 356.495 3.196 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)sc(=O)n3C)C1 ZINC000195014355 496791260 /nfs/dbraw/zinc/79/12/60/496791260.db2.gz DFKDMTAEBLCUGH-OAHLLOKOSA-N 2 2 356.495 3.196 10 0 FGAELP COC(=O)c1cccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3scnc3C)C2)c1 ZINC000195251145 496862043 /nfs/dbraw/zinc/86/20/43/496862043.db2.gz CKUAWIDTUMGXHN-KRWDZBQOSA-N 2 2 373.522 3.192 10 0 FGAELP COC(=O)c1cccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3scnc3C)C2)c1 ZINC000195251145 496862049 /nfs/dbraw/zinc/86/20/49/496862049.db2.gz CKUAWIDTUMGXHN-KRWDZBQOSA-N 2 2 373.522 3.192 10 0 FGAELP COC(=O)c1cccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3scnc3C)C2)c1 ZINC000195251145 496862057 /nfs/dbraw/zinc/86/20/57/496862057.db2.gz CKUAWIDTUMGXHN-KRWDZBQOSA-N 2 2 373.522 3.192 10 0 FGAELP COC(=O)c1cccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3scnc3C)C2)c1 ZINC000195251145 496862063 /nfs/dbraw/zinc/86/20/63/496862063.db2.gz CKUAWIDTUMGXHN-KRWDZBQOSA-N 2 2 373.522 3.192 10 0 FGAELP C[C@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195300940 496881254 /nfs/dbraw/zinc/88/12/54/496881254.db2.gz MXCUYZXKMDJBFH-UYAOXDASSA-N 2 2 372.557 3.015 10 0 FGAELP C[C@H](C(=O)N(C)C1CCCCC1)[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195300940 496881260 /nfs/dbraw/zinc/88/12/60/496881260.db2.gz MXCUYZXKMDJBFH-UYAOXDASSA-N 2 2 372.557 3.015 10 0 FGAELP C[C@H](C(=O)N(C)C1CCCCC1)[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195300940 496881264 /nfs/dbraw/zinc/88/12/64/496881264.db2.gz MXCUYZXKMDJBFH-UYAOXDASSA-N 2 2 372.557 3.015 10 0 FGAELP C[C@H](C(=O)N(C)C1CCCCC1)[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195300940 496881268 /nfs/dbraw/zinc/88/12/68/496881268.db2.gz MXCUYZXKMDJBFH-UYAOXDASSA-N 2 2 372.557 3.015 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(OC)cc2)C1 ZINC000247568921 496891324 /nfs/dbraw/zinc/89/13/24/496891324.db2.gz GYGMVOCZGPNOIY-NVXWUHKLSA-N 2 2 356.470 3.118 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc(OC)cc2)C1 ZINC000247568921 496891325 /nfs/dbraw/zinc/89/13/25/496891325.db2.gz GYGMVOCZGPNOIY-NVXWUHKLSA-N 2 2 356.470 3.118 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(Cl)cn2)C1 ZINC000247867267 496922269 /nfs/dbraw/zinc/92/22/69/496922269.db2.gz WWYCJKOXZKJRDL-HIFRSBDPSA-N 2 2 361.877 3.158 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc(Cl)cn2)C1 ZINC000247867267 496922274 /nfs/dbraw/zinc/92/22/74/496922274.db2.gz WWYCJKOXZKJRDL-HIFRSBDPSA-N 2 2 361.877 3.158 10 0 FGAELP Cc1nc(N2CCC[C@@H]([N@H+](C)CC(=O)OC(C)(C)C)CC2)c(C)c(C)[nH+]1 ZINC000192268587 497055742 /nfs/dbraw/zinc/05/57/42/497055742.db2.gz JWZUHBCIDRMXOW-QGZVFWFLSA-N 2 2 362.518 3.034 10 0 FGAELP Cc1nc(N2CCC[C@@H]([N@@H+](C)CC(=O)OC(C)(C)C)CC2)c(C)c(C)[nH+]1 ZINC000192268587 497055746 /nfs/dbraw/zinc/05/57/46/497055746.db2.gz JWZUHBCIDRMXOW-QGZVFWFLSA-N 2 2 362.518 3.034 10 0 FGAELP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)C12CCOCC2 ZINC000248922700 497134833 /nfs/dbraw/zinc/13/48/33/497134833.db2.gz FITIHSHFGVKZRB-AYWYSENESA-N 2 2 358.526 3.071 10 0 FGAELP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C12CCOCC2 ZINC000248922700 497134838 /nfs/dbraw/zinc/13/48/38/497134838.db2.gz FITIHSHFGVKZRB-AYWYSENESA-N 2 2 358.526 3.071 10 0 FGAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H]2CCCc3c(OC)cccc32)nc[nH+]1 ZINC000249551666 497220611 /nfs/dbraw/zinc/22/06/11/497220611.db2.gz LCBUWJOOFHHMCO-QAPCUYQASA-N 2 2 367.497 3.163 10 0 FGAELP C[C@@H]([NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)c1nnnn1-c1ccccc1 ZINC000189917439 497292371 /nfs/dbraw/zinc/29/23/71/497292371.db2.gz ZLRNBCRCOXTXBG-HZPDHXFCSA-N 2 2 359.437 3.260 10 0 FGAELP Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261877711 497466526 /nfs/dbraw/zinc/46/65/26/497466526.db2.gz YCPHZOHPKVOFOM-AEFFLSMTSA-N 2 2 357.885 3.261 10 0 FGAELP Cc1ccc(Cl)cc1NC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261877711 497466533 /nfs/dbraw/zinc/46/65/33/497466533.db2.gz YCPHZOHPKVOFOM-AEFFLSMTSA-N 2 2 357.885 3.261 10 0 FGAELP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000245655021 497489604 /nfs/dbraw/zinc/48/96/04/497489604.db2.gz CKDPZFJQAGROQB-MSOLQXFVSA-N 2 2 369.513 3.353 10 0 FGAELP CC(C)[N@H+]1CCC[C@@H](CNC(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000245655021 497489608 /nfs/dbraw/zinc/48/96/08/497489608.db2.gz CKDPZFJQAGROQB-MSOLQXFVSA-N 2 2 369.513 3.353 10 0 FGAELP CC(=O)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246108136 497624376 /nfs/dbraw/zinc/62/43/76/497624376.db2.gz IWSKZMYEYJELDD-RDJZCZTQSA-N 2 2 366.465 3.045 10 0 FGAELP CC(=O)c1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246108136 497624377 /nfs/dbraw/zinc/62/43/77/497624377.db2.gz IWSKZMYEYJELDD-RDJZCZTQSA-N 2 2 366.465 3.045 10 0 FGAELP COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)cc1 ZINC000246184671 497652248 /nfs/dbraw/zinc/65/22/48/497652248.db2.gz VLERKSKJBGEJGC-SJORKVTESA-N 2 2 368.481 3.160 10 0 FGAELP COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)cc1 ZINC000246184671 497652254 /nfs/dbraw/zinc/65/22/54/497652254.db2.gz VLERKSKJBGEJGC-SJORKVTESA-N 2 2 368.481 3.160 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@@H](O)COc2cc(C)cc(C)c2)C1 ZINC000246246602 497673575 /nfs/dbraw/zinc/67/35/75/497673575.db2.gz DTSUWOQISMZBAJ-RTBURBONSA-N 2 2 357.498 3.139 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@@H](O)COc2cc(C)cc(C)c2)C1 ZINC000246246602 497673580 /nfs/dbraw/zinc/67/35/80/497673580.db2.gz DTSUWOQISMZBAJ-RTBURBONSA-N 2 2 357.498 3.139 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1ccc2ccccc2c1 ZINC000246847553 497815956 /nfs/dbraw/zinc/81/59/56/497815956.db2.gz BYLRSJRJRWUIGO-LEWJYISDSA-N 2 2 365.477 3.249 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@@H](O)COc1ccc2ccccc2c1 ZINC000246847553 497815958 /nfs/dbraw/zinc/81/59/58/497815958.db2.gz BYLRSJRJRWUIGO-LEWJYISDSA-N 2 2 365.477 3.249 10 0 FGAELP Cn1nccc1[C@H]1[C@H](C[N@H+](C)Cc2cccc3cc[nH]c32)CCC[NH+]1C ZINC000284893720 497932796 /nfs/dbraw/zinc/93/27/96/497932796.db2.gz RIZBSPUEIBKNLZ-GHTZIAJQSA-N 2 2 351.498 3.416 10 0 FGAELP Cn1nccc1[C@H]1[C@H](C[N@@H+](C)Cc2cccc3cc[nH]c32)CCC[NH+]1C ZINC000284893720 497932801 /nfs/dbraw/zinc/93/28/01/497932801.db2.gz RIZBSPUEIBKNLZ-GHTZIAJQSA-N 2 2 351.498 3.416 10 0 FGAELP Cn1nccc1[C@H]1[C@H](C[NH+](C)Cc2cccc3cc[nH]c32)CCC[N@@H+]1C ZINC000284893720 497932808 /nfs/dbraw/zinc/93/28/08/497932808.db2.gz RIZBSPUEIBKNLZ-GHTZIAJQSA-N 2 2 351.498 3.416 10 0 FGAELP Cn1nccc1[C@H]1[C@H](C[NH+](C)Cc2cccc3cc[nH]c32)CCC[N@H+]1C ZINC000284893720 497932812 /nfs/dbraw/zinc/93/28/12/497932812.db2.gz RIZBSPUEIBKNLZ-GHTZIAJQSA-N 2 2 351.498 3.416 10 0 FGAELP Cc1ccc(N2CCC(Nc3cc(N4CCC[C@H](C)C4)nc[nH+]3)CC2)[nH+]c1 ZINC000301390830 498089599 /nfs/dbraw/zinc/08/95/99/498089599.db2.gz GPUZDEZVPYVFRH-KRWDZBQOSA-N 2 2 366.513 3.497 10 0 FGAELP C[C@H]([NH2+]CC(=O)Nc1cccnc1Cl)c1cccc(-n2cc[nH+]c2)c1 ZINC000189910774 712803390 /nfs/dbraw/zinc/80/33/90/712803390.db2.gz GFCYJZYEHCXMPA-ZDUSSCGKSA-N 2 2 355.829 3.210 10 0 FGAELP Cc1cc(N2CC[NH2+][C@@H](c3ccccc3)C2)nc(Nc2cccc(O)c2)[nH+]1 ZINC000095374206 132208983 /nfs/dbraw/zinc/20/89/83/132208983.db2.gz JHFFNWWUOCJCPN-LJQANCHMSA-N 2 2 361.449 3.385 10 0 FGAELP C[C@@H](NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000074876626 494637411 /nfs/dbraw/zinc/63/74/11/494637411.db2.gz BUVPJMGGCAUJBJ-IEBWSBKVSA-N 2 2 369.513 3.449 10 0 FGAELP C[C@@H](NC(=O)N(C)CC[C@H]1CCCC[N@H+]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000074876626 494637417 /nfs/dbraw/zinc/63/74/17/494637417.db2.gz BUVPJMGGCAUJBJ-IEBWSBKVSA-N 2 2 369.513 3.449 10 0 FGAELP Cc1cc(N2CC[NH+](Cc3cnn(-c4ccccc4)c3)CC2)nc(C2CC2)[nH+]1 ZINC000116261098 494746812 /nfs/dbraw/zinc/74/68/12/494746812.db2.gz HWXFDDGBUWNTPF-UHFFFAOYSA-N 2 2 374.492 3.170 10 0 FGAELP C[C@@H]([NH2+][C@@H](C)CS(=O)(=O)c1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000122594965 495000548 /nfs/dbraw/zinc/00/05/48/495000548.db2.gz IBZKZKNJEHPALM-DLBZAZTESA-N 2 2 369.490 3.385 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@@H+]([C@@H]3CCN(c4ccccc4F)C3=O)C2)[nH+]1 ZINC000112340695 495177524 /nfs/dbraw/zinc/17/75/24/495177524.db2.gz PNZLWWGMHORXGQ-VQIMIIECSA-N 2 2 368.456 3.068 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@H+]([C@@H]3CCN(c4ccccc4F)C3=O)C2)[nH+]1 ZINC000112340695 495177525 /nfs/dbraw/zinc/17/75/25/495177525.db2.gz PNZLWWGMHORXGQ-VQIMIIECSA-N 2 2 368.456 3.068 10 0 FGAELP C[N@H+](Cc1cc(F)cc2cccnc21)C1CC[NH+](CCn2cccn2)CC1 ZINC000106128996 495418319 /nfs/dbraw/zinc/41/83/19/495418319.db2.gz BIAANKYQQHJCIJ-UHFFFAOYSA-N 2 2 367.472 3.167 10 0 FGAELP C[N@@H+](Cc1cc(F)cc2cccnc21)C1CC[NH+](CCn2cccn2)CC1 ZINC000106128996 495418322 /nfs/dbraw/zinc/41/83/22/495418322.db2.gz BIAANKYQQHJCIJ-UHFFFAOYSA-N 2 2 367.472 3.167 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccnc2Cl)C1 ZINC000106214792 495432414 /nfs/dbraw/zinc/43/24/14/495432414.db2.gz GRSMLRMVGLHGFN-UONOGXRCSA-N 2 2 361.877 3.158 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccnc2Cl)C1 ZINC000106214792 495432416 /nfs/dbraw/zinc/43/24/16/495432416.db2.gz GRSMLRMVGLHGFN-UONOGXRCSA-N 2 2 361.877 3.158 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2nc3ccc(Cl)cc3c(=O)[nH]2)C1 ZINC000106215311 495435690 /nfs/dbraw/zinc/43/56/90/495435690.db2.gz QXAMEOWUDMGXPQ-AWEZNQCLSA-N 2 2 371.872 3.173 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2nc3ccc(Cl)cc3c(=O)[nH]2)C1 ZINC000106215311 495435694 /nfs/dbraw/zinc/43/56/94/495435694.db2.gz QXAMEOWUDMGXPQ-AWEZNQCLSA-N 2 2 371.872 3.173 10 0 FGAELP Cc1c([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)cnn1-c1cc(C)ccc1C ZINC000151251550 495784572 /nfs/dbraw/zinc/78/45/72/495784572.db2.gz JNOFCPYGQXXGCY-UYAOXDASSA-N 2 2 370.541 3.295 10 0 FGAELP Cc1cc(C(=O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c(C)n1C1CC1 ZINC000171644454 495964253 /nfs/dbraw/zinc/96/42/53/495964253.db2.gz WCUWLQNPIMRWCY-QGZVFWFLSA-N 2 2 352.482 3.452 10 0 FGAELP Cc1cc(C(=O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c(C)n1C1CC1 ZINC000171644454 495964259 /nfs/dbraw/zinc/96/42/59/495964259.db2.gz WCUWLQNPIMRWCY-QGZVFWFLSA-N 2 2 352.482 3.452 10 0 FGAELP C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171645764 495964301 /nfs/dbraw/zinc/96/43/01/495964301.db2.gz HQVOYLSXISHTSB-GUDVDZBRSA-N 2 2 366.509 3.124 10 0 FGAELP C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171645764 495964304 /nfs/dbraw/zinc/96/43/04/495964304.db2.gz HQVOYLSXISHTSB-GUDVDZBRSA-N 2 2 366.509 3.124 10 0 FGAELP CC(C)N(C(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)c1ccccc1 ZINC000171648246 495965816 /nfs/dbraw/zinc/96/58/16/495965816.db2.gz NRVJHULHSMWYSA-GOSISDBHSA-N 2 2 352.482 3.257 10 0 FGAELP CC(C)N(C(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)c1ccccc1 ZINC000171648246 495965823 /nfs/dbraw/zinc/96/58/23/495965823.db2.gz NRVJHULHSMWYSA-GOSISDBHSA-N 2 2 352.482 3.257 10 0 FGAELP CC(C)c1nnc2n1C[C@@H]([NH2+][C@H](C)c1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000180510277 496026093 /nfs/dbraw/zinc/02/60/93/496026093.db2.gz ICBKVWBTIVEMFB-WBVHZDCISA-N 2 2 350.470 3.253 10 0 FGAELP CC[C@H]([NH2+]C[C@H]1CCCN1c1cc(NC)[nH+]cn1)c1ccc(OC)cc1 ZINC000180566644 496047831 /nfs/dbraw/zinc/04/78/31/496047831.db2.gz JPBINCNEKVLFOV-AEFFLSMTSA-N 2 2 355.486 3.237 10 0 FGAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2ccc(F)cc2N(C)C)nc[nH+]1 ZINC000180571713 496049823 /nfs/dbraw/zinc/04/98/23/496049823.db2.gz VOWGYJKSGAQIBZ-ZBFHGGJFSA-N 2 2 372.492 3.043 10 0 FGAELP CC(=O)c1cccc(NC(=O)C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000180646894 496084383 /nfs/dbraw/zinc/08/43/83/496084383.db2.gz UZUXRKSQHTVWFL-OAHLLOKOSA-N 2 2 362.433 3.364 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000178301823 496403935 /nfs/dbraw/zinc/40/39/35/496403935.db2.gz LZNNSHVMCGXZOV-AWEZNQCLSA-N 2 2 366.918 3.029 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000178301823 496403940 /nfs/dbraw/zinc/40/39/40/496403940.db2.gz LZNNSHVMCGXZOV-AWEZNQCLSA-N 2 2 366.918 3.029 10 0 FGAELP C[C@@H](CCNC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1)[NH+]1CCCCC1 ZINC000181868990 496579183 /nfs/dbraw/zinc/57/91/83/496579183.db2.gz QENHXBPUTXSMQR-ROUUACIJSA-N 2 2 369.513 3.497 10 0 FGAELP Cc1ncsc1C[N@H+](C)C[C@H]1CCN(Cc2cn3cc(C)ccc3[nH+]2)C1 ZINC000195264128 496867942 /nfs/dbraw/zinc/86/79/42/496867942.db2.gz QNJFATFGSWUQBS-QGZVFWFLSA-N 2 2 369.538 3.362 10 0 FGAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(Cc2cn3cc(C)ccc3[nH+]2)C1 ZINC000195264128 496867946 /nfs/dbraw/zinc/86/79/46/496867946.db2.gz QNJFATFGSWUQBS-QGZVFWFLSA-N 2 2 369.538 3.362 10 0 FGAELP C[N@H+](Cc1ccc(Cl)cc1F)C1CC[NH+](CCn2cccn2)CC1 ZINC000189010498 496976387 /nfs/dbraw/zinc/97/63/87/496976387.db2.gz RFQXAUOOJVMPFK-UHFFFAOYSA-N 2 2 350.869 3.272 10 0 FGAELP C[N@@H+](Cc1ccc(Cl)cc1F)C1CC[NH+](CCn2cccn2)CC1 ZINC000189010498 496976389 /nfs/dbraw/zinc/97/63/89/496976389.db2.gz RFQXAUOOJVMPFK-UHFFFAOYSA-N 2 2 350.869 3.272 10 0 FGAELP Cc1ccc2cc(C[NH2+]C[C@H](O)C[N@@H+]3CCc4ccccc4C3)ccc2n1 ZINC000189248976 497058531 /nfs/dbraw/zinc/05/85/31/497058531.db2.gz RZDSWTZVNSVEMO-QFIPXVFZSA-N 2 2 361.489 3.052 10 0 FGAELP Cc1ccc2cc(C[NH2+]C[C@H](O)C[N@H+]3CCc4ccccc4C3)ccc2n1 ZINC000189248976 497058533 /nfs/dbraw/zinc/05/85/33/497058533.db2.gz RZDSWTZVNSVEMO-QFIPXVFZSA-N 2 2 361.489 3.052 10 0 FGAELP COC(=O)c1cccc(OCC[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000189905352 497289046 /nfs/dbraw/zinc/28/90/46/497289046.db2.gz BBHMYCOUGJSSII-INIZCTEOSA-N 2 2 365.433 3.389 10 0 FGAELP c1sc(CCc2ccccc2)nc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261930973 497479016 /nfs/dbraw/zinc/47/90/16/497479016.db2.gz LSDFFTWDHMJIBP-ZCNNSNEGSA-N 2 2 371.550 3.175 10 0 FGAELP CCN(C)c1ccc(C[N@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cn1 ZINC000261935721 497479203 /nfs/dbraw/zinc/47/92/03/497479203.db2.gz LZRVCLNCJIPUAV-KRWDZBQOSA-N 2 2 371.554 3.139 10 0 FGAELP CCN(C)c1ccc(C[N@@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cn1 ZINC000261935721 497479209 /nfs/dbraw/zinc/47/92/09/497479209.db2.gz LZRVCLNCJIPUAV-KRWDZBQOSA-N 2 2 371.554 3.139 10 0 FGAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](Cc2cnn3ccccc23)C1 ZINC000190460829 497489001 /nfs/dbraw/zinc/48/90/01/497489001.db2.gz CLNNHGYHQRETJG-MRXNPFEDSA-N 2 2 355.511 3.053 10 0 FGAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2cnn3ccccc23)C1 ZINC000190460829 497489005 /nfs/dbraw/zinc/48/90/05/497489005.db2.gz CLNNHGYHQRETJG-MRXNPFEDSA-N 2 2 355.511 3.053 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](Cc2cnn3ccccc23)C1 ZINC000190460829 497489007 /nfs/dbraw/zinc/48/90/07/497489007.db2.gz CLNNHGYHQRETJG-MRXNPFEDSA-N 2 2 355.511 3.053 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2cnn3ccccc23)C1 ZINC000190460829 497489013 /nfs/dbraw/zinc/48/90/13/497489013.db2.gz CLNNHGYHQRETJG-MRXNPFEDSA-N 2 2 355.511 3.053 10 0 FGAELP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000245655026 497489737 /nfs/dbraw/zinc/48/97/37/497489737.db2.gz CKDPZFJQAGROQB-QZTJIDSGSA-N 2 2 369.513 3.353 10 0 FGAELP CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000245655026 497489743 /nfs/dbraw/zinc/48/97/43/497489743.db2.gz CKDPZFJQAGROQB-QZTJIDSGSA-N 2 2 369.513 3.353 10 0 FGAELP CCOc1ccc(C[N@H+](Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)cc1F ZINC000262018941 497493733 /nfs/dbraw/zinc/49/37/33/497493733.db2.gz VZUBIUSOBFKQFL-LJQANCHMSA-N 2 2 372.488 3.102 10 0 FGAELP CCOc1ccc(C[N@@H+](Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)cc1F ZINC000262018941 497493737 /nfs/dbraw/zinc/49/37/37/497493737.db2.gz VZUBIUSOBFKQFL-LJQANCHMSA-N 2 2 372.488 3.102 10 0 FGAELP COc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)cc1OC ZINC000190478713 497496790 /nfs/dbraw/zinc/49/67/90/497496790.db2.gz QWCHLPIBRPEFPE-LJQANCHMSA-N 2 2 355.482 3.053 10 0 FGAELP COc1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)cc1OC ZINC000190478713 497496795 /nfs/dbraw/zinc/49/67/95/497496795.db2.gz QWCHLPIBRPEFPE-LJQANCHMSA-N 2 2 355.482 3.053 10 0 FGAELP COc1ccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)cc1OC ZINC000190478713 497496801 /nfs/dbraw/zinc/49/68/01/497496801.db2.gz QWCHLPIBRPEFPE-LJQANCHMSA-N 2 2 355.482 3.053 10 0 FGAELP COc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)cc1OC ZINC000190478713 497496804 /nfs/dbraw/zinc/49/68/04/497496804.db2.gz QWCHLPIBRPEFPE-LJQANCHMSA-N 2 2 355.482 3.053 10 0 FGAELP COc1ccc(Cl)c(CN(Cc2[nH+]ccn2C)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000262086857 497506042 /nfs/dbraw/zinc/50/60/42/497506042.db2.gz GFFDCDMYRVHJBS-GOSISDBHSA-N 2 2 374.916 3.226 10 0 FGAELP O[C@H](C[NH2+][C@@H](c1ccc(Br)s1)C1CC1)C[NH+]1CCCCC1 ZINC000190592194 497537627 /nfs/dbraw/zinc/53/76/27/497537627.db2.gz TXUDEUQPJQFDRE-CZUORRHYSA-N 2 2 373.360 3.398 10 0 FGAELP [NH3+][C@@H]1CC[C@H](C(=O)Nc2ccc3[nH]c(Cc4ccccc4F)[nH+]c3c2)C1 ZINC000262643209 497590159 /nfs/dbraw/zinc/59/01/59/497590159.db2.gz JJSWKXBQDOSOLP-UONOGXRCSA-N 2 2 352.413 3.359 10 0 FGAELP CCOc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000246171997 497646689 /nfs/dbraw/zinc/64/66/89/497646689.db2.gz SLCANKPSBWDWPW-IRXDYDNUSA-N 2 2 368.481 3.241 10 0 FGAELP CCOc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000246171997 497646693 /nfs/dbraw/zinc/64/66/93/497646693.db2.gz SLCANKPSBWDWPW-IRXDYDNUSA-N 2 2 368.481 3.241 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2Cl)C1 ZINC000246224479 497667647 /nfs/dbraw/zinc/66/76/47/497667647.db2.gz BSDRGHOTZRVRAY-JKSUJKDBSA-N 2 2 363.889 3.176 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2Cl)C1 ZINC000246224479 497667649 /nfs/dbraw/zinc/66/76/49/497667649.db2.gz BSDRGHOTZRVRAY-JKSUJKDBSA-N 2 2 363.889 3.176 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)Nc1cc(Cl)ccc1F ZINC000246888871 497818801 /nfs/dbraw/zinc/81/88/01/497818801.db2.gz DZJVHHQRCCYTFP-DOMZBBRYSA-N 2 2 364.852 3.476 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)Nc1cc(Cl)ccc1F ZINC000246888871 497818802 /nfs/dbraw/zinc/81/88/02/497818802.db2.gz DZJVHHQRCCYTFP-DOMZBBRYSA-N 2 2 364.852 3.476 10 0 FGAELP C[N@@H+](Cc1cccc2[nH+]ccn21)C[C@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000328629043 498881560 /nfs/dbraw/zinc/88/15/60/498881560.db2.gz HVOLIDSINIKZPP-CYBMUJFWSA-N 2 2 363.387 3.244 10 0 FGAELP C[N@H+](Cc1cccc2[nH+]ccn21)C[C@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000328629043 498881564 /nfs/dbraw/zinc/88/15/64/498881564.db2.gz HVOLIDSINIKZPP-CYBMUJFWSA-N 2 2 363.387 3.244 10 0 FGAELP CC(C)[C@H](C)NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000247084675 713635569 /nfs/dbraw/zinc/63/55/69/713635569.db2.gz WAGGPGSOAUSYRM-QXAKKESOSA-N 2 2 352.567 3.010 10 0 FGAELP CC(C)[C@H](C)NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000247084675 713635572 /nfs/dbraw/zinc/63/55/72/713635572.db2.gz WAGGPGSOAUSYRM-QXAKKESOSA-N 2 2 352.567 3.010 10 0 FGAELP C[C@H](NC(=O)N1CC[NH+](C2CCCC2)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000080551241 494731355 /nfs/dbraw/zinc/73/13/55/494731355.db2.gz RKEMSCGVJPDLOV-KRWDZBQOSA-N 2 2 367.497 3.203 10 0 FGAELP C[C@@H](NC(=O)N1CC[NH+](C2CCCC2)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000080551250 494733129 /nfs/dbraw/zinc/73/31/29/494733129.db2.gz RKEMSCGVJPDLOV-QGZVFWFLSA-N 2 2 367.497 3.203 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)c2cn(-c3ccccc3)nn2)C1 ZINC000128047499 495036318 /nfs/dbraw/zinc/03/63/18/495036318.db2.gz HHVSPRGGZVEMOU-WMZOPIPTSA-N 2 2 350.470 3.424 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)c2cn(-c3ccccc3)nn2)C1 ZINC000128047499 495036322 /nfs/dbraw/zinc/03/63/22/495036322.db2.gz HHVSPRGGZVEMOU-WMZOPIPTSA-N 2 2 350.470 3.424 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccccc2N2CCOCC2)C1 ZINC000122935791 495055736 /nfs/dbraw/zinc/05/57/36/495055736.db2.gz CMBPBAKUJVAPOT-IBGZPJMESA-N 2 2 354.498 3.119 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccccc2N2CCOCC2)C1 ZINC000122935791 495055738 /nfs/dbraw/zinc/05/57/38/495055738.db2.gz CMBPBAKUJVAPOT-IBGZPJMESA-N 2 2 354.498 3.119 10 0 FGAELP Cc1ccccc1[C@H](C)[NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000102683861 495153791 /nfs/dbraw/zinc/15/37/91/495153791.db2.gz FSGWKOQRPDPBNJ-SFHVURJKSA-N 2 2 367.493 3.117 10 0 FGAELP Cc1ccccc1[C@H](C)[NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000102683700 495153824 /nfs/dbraw/zinc/15/38/24/495153824.db2.gz QWKWEYBGJUZXIA-KRWDZBQOSA-N 2 2 357.523 3.052 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NCCc2ccccc2C)C1 ZINC000106213911 495433019 /nfs/dbraw/zinc/43/30/19/495433019.db2.gz DPFYIXJBIXVNNP-AZUAARDMSA-N 2 2 368.525 3.138 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NCCc2ccccc2C)C1 ZINC000106213911 495433023 /nfs/dbraw/zinc/43/30/23/495433023.db2.gz DPFYIXJBIXVNNP-AZUAARDMSA-N 2 2 368.525 3.138 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cc(C)ccc2OC)C1 ZINC000106215154 495434841 /nfs/dbraw/zinc/43/48/41/495434841.db2.gz WFQUXFCURIRVOY-IRXDYDNUSA-N 2 2 370.497 3.427 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cc(C)ccc2OC)C1 ZINC000106215154 495434845 /nfs/dbraw/zinc/43/48/45/495434845.db2.gz WFQUXFCURIRVOY-IRXDYDNUSA-N 2 2 370.497 3.427 10 0 FGAELP Cc1sc(NC(=O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c(C)c1C ZINC000173779428 495689339 /nfs/dbraw/zinc/68/93/39/495689339.db2.gz JTTNUXRNRAPWGE-MRXNPFEDSA-N 2 2 358.511 3.441 10 0 FGAELP Cc1sc(NC(=O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c(C)c1C ZINC000173779428 495689342 /nfs/dbraw/zinc/68/93/42/495689342.db2.gz JTTNUXRNRAPWGE-MRXNPFEDSA-N 2 2 358.511 3.441 10 0 FGAELP C[C@@H](NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173920967 495747562 /nfs/dbraw/zinc/74/75/62/495747562.db2.gz NOJCBUOQVCNIDU-DYESRHJHSA-N 2 2 362.477 3.222 10 0 FGAELP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(F)c(Br)c1 ZINC000151258661 495786913 /nfs/dbraw/zinc/78/69/13/495786913.db2.gz YTPVLWLMZXKFBP-OCCSQVGLSA-N 2 2 359.283 3.086 10 0 FGAELP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000151304733 495800090 /nfs/dbraw/zinc/80/00/90/495800090.db2.gz JXPQQGLDFQMCIV-YOEHRIQHSA-N 2 2 360.527 3.011 10 0 FGAELP C[C@@H](CNC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C[NH+]1CCCCC1 ZINC000174173286 495849042 /nfs/dbraw/zinc/84/90/42/495849042.db2.gz OCCVQEMWFWJFQX-ROUUACIJSA-N 2 2 369.513 3.355 10 0 FGAELP Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1Cl ZINC000171648200 495965942 /nfs/dbraw/zinc/96/59/42/495965942.db2.gz NDDUQDYPOCOKNK-HNNXBMFYSA-N 2 2 358.873 3.416 10 0 FGAELP Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1Cl ZINC000171648200 495965944 /nfs/dbraw/zinc/96/59/44/495965944.db2.gz NDDUQDYPOCOKNK-HNNXBMFYSA-N 2 2 358.873 3.416 10 0 FGAELP CC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171647584 495966369 /nfs/dbraw/zinc/96/63/69/495966369.db2.gz ZXPYOJZYDFHUQO-DOTOQJQBSA-N 2 2 366.465 3.045 10 0 FGAELP CC(=O)c1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171647584 495966374 /nfs/dbraw/zinc/96/63/74/495966374.db2.gz ZXPYOJZYDFHUQO-DOTOQJQBSA-N 2 2 366.465 3.045 10 0 FGAELP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171646484 495967192 /nfs/dbraw/zinc/96/71/92/495967192.db2.gz WPWXVAPVUNJWGP-HUUCEWRRSA-N 2 2 358.873 3.496 10 0 FGAELP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171646484 495967194 /nfs/dbraw/zinc/96/71/94/495967194.db2.gz WPWXVAPVUNJWGP-HUUCEWRRSA-N 2 2 358.873 3.496 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3cccc(F)c3)C2)[nH+]1 ZINC000171651256 495970254 /nfs/dbraw/zinc/97/02/54/495970254.db2.gz YKOOESIAYINLIO-HOTGVXAUSA-N 2 2 356.445 3.290 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@H+]([C@@H](C)C(=O)Nc3cccc(F)c3)C2)[nH+]1 ZINC000171651256 495970262 /nfs/dbraw/zinc/97/02/62/495970262.db2.gz YKOOESIAYINLIO-HOTGVXAUSA-N 2 2 356.445 3.290 10 0 FGAELP CC(C)c1nnc2n1C[C@H]([NH2+][C@@H](C)c1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000180510221 496025822 /nfs/dbraw/zinc/02/58/22/496025822.db2.gz ICBKVWBTIVEMFB-DOTOQJQBSA-N 2 2 350.470 3.253 10 0 FGAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2cc(C)ccc2OC)nc[nH+]1 ZINC000180574450 496051093 /nfs/dbraw/zinc/05/10/93/496051093.db2.gz GXEQWTLNCSKPEW-HOTGVXAUSA-N 2 2 355.486 3.155 10 0 FGAELP Cc1ccc(CNC(=O)C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1F ZINC000180647956 496086247 /nfs/dbraw/zinc/08/62/47/496086247.db2.gz ZRZJXWPQQHHVOI-INIZCTEOSA-N 2 2 366.440 3.287 10 0 FGAELP C[C@H]([NH2+]CC(=O)NCc1ccc(Cl)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180650304 496086773 /nfs/dbraw/zinc/08/67/73/496086773.db2.gz CVSSBOZTZNIZJK-HNNXBMFYSA-N 2 2 368.868 3.493 10 0 FGAELP C[C@H](c1nc2ccccc2o1)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000181097322 496269300 /nfs/dbraw/zinc/26/93/00/496269300.db2.gz BRRQTGSOJYDAQA-MRXNPFEDSA-N 2 2 353.470 3.182 10 0 FGAELP C[C@H](c1nc2ccccc2o1)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000181097322 496269302 /nfs/dbraw/zinc/26/93/02/496269302.db2.gz BRRQTGSOJYDAQA-MRXNPFEDSA-N 2 2 353.470 3.182 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NC[C@H](C)c2ccccc2)C1 ZINC000247818311 496918916 /nfs/dbraw/zinc/91/89/16/496918916.db2.gz WRFSVQZUTWXVQU-NLWGTHIKSA-N 2 2 368.525 3.391 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)NC[C@H](C)c2ccccc2)C1 ZINC000247818311 496918920 /nfs/dbraw/zinc/91/89/20/496918920.db2.gz WRFSVQZUTWXVQU-NLWGTHIKSA-N 2 2 368.525 3.391 10 0 FGAELP CNc1cc(N2CCC[C@H]2C[NH2+]CC2(CCOC)CCCCC2)nc[nH+]1 ZINC000189163605 497030176 /nfs/dbraw/zinc/03/01/76/497030176.db2.gz OEMUZAXIZAHHAA-KRWDZBQOSA-N 2 2 361.534 3.064 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCOCC(F)(F)C(F)(F)F)C1 ZINC000189218055 497049761 /nfs/dbraw/zinc/04/97/61/497049761.db2.gz YAMZTVFDZKFYGW-GFCCVEGCSA-N 2 2 355.351 3.297 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCOCC(F)(F)C(F)(F)F)C1 ZINC000189218055 497049766 /nfs/dbraw/zinc/04/97/66/497049766.db2.gz YAMZTVFDZKFYGW-GFCCVEGCSA-N 2 2 355.351 3.297 10 0 FGAELP Cc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248660410 497075474 /nfs/dbraw/zinc/07/54/74/497075474.db2.gz WBOSYNXLOOMPAF-QUCCMNQESA-N 2 2 366.509 3.171 10 0 FGAELP Cc1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248660410 497075480 /nfs/dbraw/zinc/07/54/80/497075480.db2.gz WBOSYNXLOOMPAF-QUCCMNQESA-N 2 2 366.509 3.171 10 0 FGAELP Cc1ccccc1NC(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248660410 497075484 /nfs/dbraw/zinc/07/54/84/497075484.db2.gz WBOSYNXLOOMPAF-QUCCMNQESA-N 2 2 366.509 3.171 10 0 FGAELP Cc1ccccc1NC(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248660410 497075488 /nfs/dbraw/zinc/07/54/88/497075488.db2.gz WBOSYNXLOOMPAF-QUCCMNQESA-N 2 2 366.509 3.171 10 0 FGAELP CCO[C@@H]1C[C@H]([NH2+][C@H](C[NH+]2CCCC2)c2ccccc2)C12CCOCC2 ZINC000248904198 497131339 /nfs/dbraw/zinc/13/13/39/497131339.db2.gz ATPWMDQKKZKBJK-QHAWAJNXSA-N 2 2 358.526 3.387 10 0 FGAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCC[C@@H](C(F)(F)F)C3)c2cc1C ZINC000249719689 497236867 /nfs/dbraw/zinc/23/68/67/497236867.db2.gz LLYLBZVUHZWDCZ-HUUCEWRRSA-N 2 2 355.404 3.288 10 0 FGAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCC[C@@H](C(F)(F)F)C3)c2cc1C ZINC000249719689 497236872 /nfs/dbraw/zinc/23/68/72/497236872.db2.gz LLYLBZVUHZWDCZ-HUUCEWRRSA-N 2 2 355.404 3.288 10 0 FGAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000250672952 497268794 /nfs/dbraw/zinc/26/87/94/497268794.db2.gz YWHIDYSZQDUKMT-CZUORRHYSA-N 2 2 368.319 3.240 10 0 FGAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000250672952 497268796 /nfs/dbraw/zinc/26/87/96/497268796.db2.gz YWHIDYSZQDUKMT-CZUORRHYSA-N 2 2 368.319 3.240 10 0 FGAELP C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246071122 497611428 /nfs/dbraw/zinc/61/14/28/497611428.db2.gz BVUNCVKKXRAHME-AEFFLSMTSA-N 2 2 370.472 3.002 10 0 FGAELP Cc1ccc([C@@H](C)NC(=O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1C ZINC000246084074 497615744 /nfs/dbraw/zinc/61/57/44/497615744.db2.gz DZIDKXWLCJDMHJ-MOPGFXCFSA-N 2 2 366.509 3.310 10 0 FGAELP Cc1ccc([C@@H](C)NC(=O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1C ZINC000246084074 497615750 /nfs/dbraw/zinc/61/57/50/497615750.db2.gz DZIDKXWLCJDMHJ-MOPGFXCFSA-N 2 2 366.509 3.310 10 0 FGAELP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c(F)c1 ZINC000246088699 497617565 /nfs/dbraw/zinc/61/75/65/497617565.db2.gz FZUOIPANJPNCMQ-CVEARBPZSA-N 2 2 356.445 3.290 10 0 FGAELP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c(F)c1 ZINC000246088699 497617569 /nfs/dbraw/zinc/61/75/69/497617569.db2.gz FZUOIPANJPNCMQ-CVEARBPZSA-N 2 2 356.445 3.290 10 0 FGAELP CC(C)[C@H](NC(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)c1ccccc1 ZINC000246086597 497617635 /nfs/dbraw/zinc/61/76/35/497617635.db2.gz FJFPHUUAQMPBCM-AVRDEDQJSA-N 2 2 366.509 3.329 10 0 FGAELP CC(C)[C@H](NC(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)c1ccccc1 ZINC000246086597 497617639 /nfs/dbraw/zinc/61/76/39/497617639.db2.gz FJFPHUUAQMPBCM-AVRDEDQJSA-N 2 2 366.509 3.329 10 0 FGAELP CCOc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000246172003 497647625 /nfs/dbraw/zinc/64/76/25/497647625.db2.gz SLCANKPSBWDWPW-SJORKVTESA-N 2 2 368.481 3.241 10 0 FGAELP CCOc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000246172003 497647627 /nfs/dbraw/zinc/64/76/27/497647627.db2.gz SLCANKPSBWDWPW-SJORKVTESA-N 2 2 368.481 3.241 10 0 FGAELP C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246188863 497653511 /nfs/dbraw/zinc/65/35/11/497653511.db2.gz VWODYOHUJHVKLW-WBVHZDCISA-N 2 2 372.900 3.174 10 0 FGAELP C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246188863 497653516 /nfs/dbraw/zinc/65/35/16/497653516.db2.gz VWODYOHUJHVKLW-WBVHZDCISA-N 2 2 372.900 3.174 10 0 FGAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)C1 ZINC000246939274 497821095 /nfs/dbraw/zinc/82/10/95/497821095.db2.gz HNMCPTXEWJNEFT-CRAIPNDOSA-N 2 2 351.922 3.151 10 0 FGAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)C1 ZINC000246939274 497821094 /nfs/dbraw/zinc/82/10/94/497821094.db2.gz HNMCPTXEWJNEFT-CRAIPNDOSA-N 2 2 351.922 3.151 10 0 FGAELP Cn1cc([C@H](CNc2cc[nH+]c3ccc(Br)cc23)[NH+](C)C)cn1 ZINC000301298746 498046857 /nfs/dbraw/zinc/04/68/57/498046857.db2.gz TUKHSGRCYNFOJA-KRWDZBQOSA-N 2 2 374.286 3.446 10 0 FGAELP Fc1ccc2c(c1)[nH+]ccc2N1C[C@@H]2OCC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC000301625611 498193766 /nfs/dbraw/zinc/19/37/66/498193766.db2.gz HAVUDHWYBQIYSG-VXKWHMMOSA-N 2 2 363.436 3.464 10 0 FGAELP Fc1ccc2c(c1)[nH+]ccc2N1C[C@@H]2OCC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC000301625611 498193772 /nfs/dbraw/zinc/19/37/72/498193772.db2.gz HAVUDHWYBQIYSG-VXKWHMMOSA-N 2 2 363.436 3.464 10 0 FGAELP C[C@H](C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[NH+]1CCCCC1 ZINC000380410386 713976771 /nfs/dbraw/zinc/97/67/71/713976771.db2.gz ZDTXIXWZAZAOOL-FGTMMUONSA-N 2 2 353.551 3.486 10 0 FGAELP CCN(CC)c1ccc(CNC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)c[nH+]1 ZINC000097406603 495034441 /nfs/dbraw/zinc/03/44/41/495034441.db2.gz ZIHWKGWCENHXTG-IBGZPJMESA-N 2 2 369.513 3.030 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)c2nc(-c3cccnc3)no2)C1 ZINC000112981398 495262309 /nfs/dbraw/zinc/26/23/09/495262309.db2.gz FDPTVJOHBKVYFD-HOCLYGCPSA-N 2 2 352.442 3.289 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)c2nc(-c3cccnc3)no2)C1 ZINC000112981398 495262312 /nfs/dbraw/zinc/26/23/12/495262312.db2.gz FDPTVJOHBKVYFD-HOCLYGCPSA-N 2 2 352.442 3.289 10 0 FGAELP CCOc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000136956218 495412694 /nfs/dbraw/zinc/41/26/94/495412694.db2.gz FONJEOJBTIOWBD-KRWDZBQOSA-N 2 2 368.481 3.243 10 0 FGAELP CCOc1ccc(NC(=O)CC[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000136956218 495412698 /nfs/dbraw/zinc/41/26/98/495412698.db2.gz FONJEOJBTIOWBD-KRWDZBQOSA-N 2 2 368.481 3.243 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cc(F)ccc2F)C1 ZINC000106215169 495435624 /nfs/dbraw/zinc/43/56/24/495435624.db2.gz GRKGXGAMCAOKDD-ZFWWWQNUSA-N 2 2 362.424 3.388 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cc(F)ccc2F)C1 ZINC000106215169 495435630 /nfs/dbraw/zinc/43/56/30/495435630.db2.gz GRKGXGAMCAOKDD-ZFWWWQNUSA-N 2 2 362.424 3.388 10 0 FGAELP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000106426132 495454275 /nfs/dbraw/zinc/45/42/75/495454275.db2.gz QPDHUMWRBKKFNC-WOJBJXKFSA-N 2 2 369.509 3.096 10 0 FGAELP CC[N@@H+]1CCC[C@H]([NH2+]CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000171050619 495703571 /nfs/dbraw/zinc/70/35/71/495703571.db2.gz GLCNJOPSNWNFNV-INIZCTEOSA-N 2 2 351.288 3.299 10 0 FGAELP CC[N@H+]1CCC[C@H]([NH2+]CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000171050619 495703577 /nfs/dbraw/zinc/70/35/77/495703577.db2.gz GLCNJOPSNWNFNV-INIZCTEOSA-N 2 2 351.288 3.299 10 0 FGAELP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173999198 495782730 /nfs/dbraw/zinc/78/27/30/495782730.db2.gz QPHHFOCLKSDDAC-AEFFLSMTSA-N 2 2 357.502 3.209 10 0 FGAELP Cn1cc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c(-c2cccs2)n1 ZINC000179987366 495811285 /nfs/dbraw/zinc/81/12/85/495811285.db2.gz VQYLZBSTJIPNEH-OAHLLOKOSA-N 2 2 353.495 3.478 10 0 FGAELP Cn1cc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c(-c2cccs2)n1 ZINC000179987366 495811292 /nfs/dbraw/zinc/81/12/92/495811292.db2.gz VQYLZBSTJIPNEH-OAHLLOKOSA-N 2 2 353.495 3.478 10 0 FGAELP CCc1nc(C)c([C@H](C)[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)s1 ZINC000151767504 495940444 /nfs/dbraw/zinc/94/04/44/495940444.db2.gz UFGMKWFLFCRAPH-KSSFIOAISA-N 2 2 359.539 3.084 10 0 FGAELP CCc1nc(C)c([C@H](C)[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)s1 ZINC000151767504 495940448 /nfs/dbraw/zinc/94/04/48/495940448.db2.gz UFGMKWFLFCRAPH-KSSFIOAISA-N 2 2 359.539 3.084 10 0 FGAELP CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000177135042 495941770 /nfs/dbraw/zinc/94/17/70/495941770.db2.gz WYFOXRGTIODVBQ-SFTDATJTSA-N 2 2 357.542 3.056 10 0 FGAELP CC(C)[C@H](NC(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)c1ccccc1 ZINC000171644023 495962782 /nfs/dbraw/zinc/96/27/82/495962782.db2.gz FJFPHUUAQMPBCM-GCJKJVERSA-N 2 2 366.509 3.329 10 0 FGAELP CC(C)[C@H](NC(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)c1ccccc1 ZINC000171644023 495962788 /nfs/dbraw/zinc/96/27/88/495962788.db2.gz FJFPHUUAQMPBCM-GCJKJVERSA-N 2 2 366.509 3.329 10 0 FGAELP COc1ccc(NC(=O)C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000180654071 496088949 /nfs/dbraw/zinc/08/89/49/496088949.db2.gz WWISFIRKKOPBAQ-OAHLLOKOSA-N 2 2 350.422 3.170 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)Nc2nc3ccccc3s2)C1 ZINC000171930413 496096333 /nfs/dbraw/zinc/09/63/33/496096333.db2.gz ZRYAWJIGQPZPBZ-CQSZACIVSA-N 2 2 369.494 3.331 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)Nc2nc3ccccc3s2)C1 ZINC000171930413 496096339 /nfs/dbraw/zinc/09/63/39/496096339.db2.gz ZRYAWJIGQPZPBZ-CQSZACIVSA-N 2 2 369.494 3.331 10 0 FGAELP COC(=O)[C@H](c1ccccc1F)[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000173278401 496624271 /nfs/dbraw/zinc/62/42/71/496624271.db2.gz JTHBFKUJMWZBFH-KXBFYZLASA-N 2 2 357.429 3.177 10 0 FGAELP COC(=O)[C@H](c1ccccc1F)[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000173278401 496624274 /nfs/dbraw/zinc/62/42/74/496624274.db2.gz JTHBFKUJMWZBFH-KXBFYZLASA-N 2 2 357.429 3.177 10 0 FGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000247053042 496764486 /nfs/dbraw/zinc/76/44/86/496764486.db2.gz NIVNCFLPXBZBNA-HIFRSBDPSA-N 2 2 373.419 3.376 10 0 FGAELP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000247053042 496764491 /nfs/dbraw/zinc/76/44/91/496764491.db2.gz NIVNCFLPXBZBNA-HIFRSBDPSA-N 2 2 373.419 3.376 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N[C@@H](C)c2ccccc2)C1 ZINC000247558495 496888884 /nfs/dbraw/zinc/88/88/84/496888884.db2.gz FRZMXTKZCXSXHU-YQVWRLOYSA-N 2 2 354.498 3.348 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)N[C@@H](C)c2ccccc2)C1 ZINC000247558495 496888887 /nfs/dbraw/zinc/88/88/87/496888887.db2.gz FRZMXTKZCXSXHU-YQVWRLOYSA-N 2 2 354.498 3.348 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cc(F)ccc2F)C1 ZINC000247566609 496890233 /nfs/dbraw/zinc/89/02/33/496890233.db2.gz GRKGXGAMCAOKDD-UKRRQHHQSA-N 2 2 362.424 3.388 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cc(F)ccc2F)C1 ZINC000247566609 496890236 /nfs/dbraw/zinc/89/02/36/496890236.db2.gz GRKGXGAMCAOKDD-UKRRQHHQSA-N 2 2 362.424 3.388 10 0 FGAELP CCOC(=O)[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000247704098 496909085 /nfs/dbraw/zinc/90/90/85/496909085.db2.gz RNPRESLWCLRFIS-FXAWDEMLSA-N 2 2 353.466 3.428 10 0 FGAELP CCOC(=O)[C@@H](c1ccccc1)[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000247704098 496909089 /nfs/dbraw/zinc/90/90/89/496909089.db2.gz RNPRESLWCLRFIS-FXAWDEMLSA-N 2 2 353.466 3.428 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)C1 ZINC000247780120 496914288 /nfs/dbraw/zinc/91/42/88/496914288.db2.gz RRWXCPQBJVHFGJ-OTWHNJEPSA-N 2 2 358.530 3.264 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)C1 ZINC000247780120 496914293 /nfs/dbraw/zinc/91/42/93/496914293.db2.gz RRWXCPQBJVHFGJ-OTWHNJEPSA-N 2 2 358.530 3.264 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NCCC2=CCCCC2)C1 ZINC000247780575 496914868 /nfs/dbraw/zinc/91/48/68/496914868.db2.gz RWPPKSJOPIPHIY-IEBWSBKVSA-N 2 2 358.530 3.478 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)NCCC2=CCCCC2)C1 ZINC000247780575 496914873 /nfs/dbraw/zinc/91/48/73/496914873.db2.gz RWPPKSJOPIPHIY-IEBWSBKVSA-N 2 2 358.530 3.478 10 0 FGAELP CC[N@H+](CC(=O)OC(C)(C)C)C1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000192240607 497045562 /nfs/dbraw/zinc/04/55/62/497045562.db2.gz GKYSLLMXJTXFRO-UHFFFAOYSA-N 2 2 358.486 3.195 10 0 FGAELP CC[N@@H+](CC(=O)OC(C)(C)C)C1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000192240607 497045565 /nfs/dbraw/zinc/04/55/65/497045565.db2.gz GKYSLLMXJTXFRO-UHFFFAOYSA-N 2 2 358.486 3.195 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@@H+]([C@H](C)c3ccc(S(C)(=O)=O)cc3)C2)[nH+]1 ZINC000248885924 497125957 /nfs/dbraw/zinc/12/59/57/497125957.db2.gz DZVMKLXAHYFKFO-IAGOWNOFSA-N 2 2 373.522 3.289 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@H+]([C@H](C)c3ccc(S(C)(=O)=O)cc3)C2)[nH+]1 ZINC000248885924 497125960 /nfs/dbraw/zinc/12/59/60/497125960.db2.gz DZVMKLXAHYFKFO-IAGOWNOFSA-N 2 2 373.522 3.289 10 0 FGAELP CCO[C@@H]1C[C@H]([NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)C12CCOCC2 ZINC000248922716 497135650 /nfs/dbraw/zinc/13/56/50/497135650.db2.gz FITIHSHFGVKZRB-ZIBCJSCZSA-N 2 2 358.526 3.071 10 0 FGAELP CCO[C@@H]1C[C@H]([NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)C12CCOCC2 ZINC000248922716 497135652 /nfs/dbraw/zinc/13/56/52/497135652.db2.gz FITIHSHFGVKZRB-ZIBCJSCZSA-N 2 2 358.526 3.071 10 0 FGAELP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](c2ccc(CC)cc2)[NH+](C)C)C12CCOCC2 ZINC000248975281 497142910 /nfs/dbraw/zinc/14/29/10/497142910.db2.gz HMLYDUGMIYKDPO-PCCBWWKXSA-N 2 2 360.542 3.416 10 0 FGAELP CC(=O)Nc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3scnc3C)C2)cc1 ZINC000190468217 497491142 /nfs/dbraw/zinc/49/11/42/497491142.db2.gz ZTUPYRRILGRJDR-SFHVURJKSA-N 2 2 372.538 3.364 10 0 FGAELP CC(=O)Nc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3scnc3C)C2)cc1 ZINC000190468217 497491147 /nfs/dbraw/zinc/49/11/47/497491147.db2.gz ZTUPYRRILGRJDR-SFHVURJKSA-N 2 2 372.538 3.364 10 0 FGAELP CC(=O)Nc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3scnc3C)C2)cc1 ZINC000190468217 497491150 /nfs/dbraw/zinc/49/11/50/497491150.db2.gz ZTUPYRRILGRJDR-SFHVURJKSA-N 2 2 372.538 3.364 10 0 FGAELP CC(=O)Nc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3scnc3C)C2)cc1 ZINC000190468217 497491154 /nfs/dbraw/zinc/49/11/54/497491154.db2.gz ZTUPYRRILGRJDR-SFHVURJKSA-N 2 2 372.538 3.364 10 0 FGAELP COc1ccc(Cl)c(CN(Cc2[nH+]ccn2C)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000262086860 497505748 /nfs/dbraw/zinc/50/57/48/497505748.db2.gz GFFDCDMYRVHJBS-SFHVURJKSA-N 2 2 374.916 3.226 10 0 FGAELP C[C@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246105817 497622929 /nfs/dbraw/zinc/62/29/29/497622929.db2.gz ISELZYACDTWXKQ-CABCVRRESA-N 2 2 358.873 3.496 10 0 FGAELP C[C@H](C(=O)Nc1ccccc1Cl)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246105817 497622931 /nfs/dbraw/zinc/62/29/31/497622931.db2.gz ISELZYACDTWXKQ-CABCVRRESA-N 2 2 358.873 3.496 10 0 FGAELP CC(C)[N@H+]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000246184416 713619184 /nfs/dbraw/zinc/61/91/84/713619184.db2.gz HIBIWOURWQBWMB-VGUREELVSA-N 2 2 351.535 3.235 10 0 FGAELP CC(C)[N@@H+]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000246184416 713619186 /nfs/dbraw/zinc/61/91/86/713619186.db2.gz HIBIWOURWQBWMB-VGUREELVSA-N 2 2 351.535 3.235 10 0 FGAELP COCC[N@@H+]1CCC[C@@]2(CC[NH+](Cc3c[nH]nc3C3CCCCC3)C2)C1 ZINC000015064025 220143737 /nfs/dbraw/zinc/14/37/37/220143737.db2.gz XEFRMFFGVVUQQK-OAQYLSRUSA-N 2 2 360.546 3.392 10 0 FGAELP COCC[N@H+]1CCC[C@@]2(CC[NH+](Cc3c[nH]nc3C3CCCCC3)C2)C1 ZINC000015064025 220143741 /nfs/dbraw/zinc/14/37/41/220143741.db2.gz XEFRMFFGVVUQQK-OAQYLSRUSA-N 2 2 360.546 3.392 10 0 FGAELP COCC[NH+]1CCC[C@@]2(CC[N@H+](Cc3c[nH]nc3C3CCCCC3)C2)C1 ZINC000015064025 220143746 /nfs/dbraw/zinc/14/37/46/220143746.db2.gz XEFRMFFGVVUQQK-OAQYLSRUSA-N 2 2 360.546 3.392 10 0 FGAELP COCC[NH+]1CCC[C@@]2(CC[N@@H+](Cc3c[nH]nc3C3CCCCC3)C2)C1 ZINC000015064025 220143749 /nfs/dbraw/zinc/14/37/49/220143749.db2.gz XEFRMFFGVVUQQK-OAQYLSRUSA-N 2 2 360.546 3.392 10 0 FGAELP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1nnc2n1CCCC2 ZINC000249037893 257370830 /nfs/dbraw/zinc/37/08/30/257370830.db2.gz TWZWGQFRQRZRFJ-AFYVEPGGSA-N 2 2 365.525 3.461 10 0 FGAELP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1nnc2n1CCCC2 ZINC000249037893 257370832 /nfs/dbraw/zinc/37/08/32/257370832.db2.gz TWZWGQFRQRZRFJ-AFYVEPGGSA-N 2 2 365.525 3.461 10 0 FGAELP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2ccc3ccccc3n2)CC1 ZINC000077173452 494026137 /nfs/dbraw/zinc/02/61/37/494026137.db2.gz XTUMZHUMYDLPIG-RTBURBONSA-N 2 2 352.526 3.225 10 0 FGAELP O[C@H]1C[C@H](c2cc(F)ccc2F)[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000121191948 494637909 /nfs/dbraw/zinc/63/79/09/494637909.db2.gz XXOWMXVAEHFHIO-FXAWDEMLSA-N 2 2 355.388 3.458 10 0 FGAELP O[C@H]1C[C@H](c2cc(F)ccc2F)[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000121191948 494637920 /nfs/dbraw/zinc/63/79/20/494637920.db2.gz XXOWMXVAEHFHIO-FXAWDEMLSA-N 2 2 355.388 3.458 10 0 FGAELP C[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000122594769 495000626 /nfs/dbraw/zinc/00/06/26/495000626.db2.gz IBZKZKNJEHPALM-SJORKVTESA-N 2 2 369.490 3.385 10 0 FGAELP C[C@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000105080604 495334087 /nfs/dbraw/zinc/33/40/87/495334087.db2.gz XYQXWGBAWHRGFU-HNNXBMFYSA-N 2 2 366.937 3.068 10 0 FGAELP C[C@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000105080604 495334089 /nfs/dbraw/zinc/33/40/89/495334089.db2.gz XYQXWGBAWHRGFU-HNNXBMFYSA-N 2 2 366.937 3.068 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N2c3ccccc3CC[C@@H]2C)C1 ZINC000106214625 495432828 /nfs/dbraw/zinc/43/28/28/495432828.db2.gz FTVUNMSILCXKRS-PKOBYXMFSA-N 2 2 366.509 3.450 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N2c3ccccc3CC[C@@H]2C)C1 ZINC000106214625 495432833 /nfs/dbraw/zinc/43/28/33/495432833.db2.gz FTVUNMSILCXKRS-PKOBYXMFSA-N 2 2 366.509 3.450 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)C1 ZINC000106214510 495433466 /nfs/dbraw/zinc/43/34/66/495433466.db2.gz AVOIWNRQGMLXMB-LPHOPBHVSA-N 2 2 372.488 3.441 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)C1 ZINC000106214510 495433469 /nfs/dbraw/zinc/43/34/69/495433469.db2.gz AVOIWNRQGMLXMB-LPHOPBHVSA-N 2 2 372.488 3.441 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NCc2ccccc2C)C1 ZINC000106213920 495433599 /nfs/dbraw/zinc/43/35/99/495433599.db2.gz JZXJEFJHWXNSCQ-PKOBYXMFSA-N 2 2 354.498 3.096 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NCc2ccccc2C)C1 ZINC000106213920 495433604 /nfs/dbraw/zinc/43/36/04/495433604.db2.gz JZXJEFJHWXNSCQ-PKOBYXMFSA-N 2 2 354.498 3.096 10 0 FGAELP C[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173458364 495538712 /nfs/dbraw/zinc/53/87/12/495538712.db2.gz ZPNAOKPIZGJJKY-SOLBZPMBSA-N 2 2 355.486 3.057 10 0 FGAELP Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)o1 ZINC000182575528 495622600 /nfs/dbraw/zinc/62/26/00/495622600.db2.gz PCYLQDCLRLHEQF-MRXNPFEDSA-N 2 2 373.522 3.426 10 0 FGAELP C[C@@H](CCc1cccc(F)c1)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000183278938 495913166 /nfs/dbraw/zinc/91/31/66/495913166.db2.gz RWBNAEANSORFOK-SFHVURJKSA-N 2 2 358.505 3.440 10 0 FGAELP C[C@@H](CCc1cccc(F)c1)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000183278938 495913173 /nfs/dbraw/zinc/91/31/73/495913173.db2.gz RWBNAEANSORFOK-SFHVURJKSA-N 2 2 358.505 3.440 10 0 FGAELP C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171644240 495962618 /nfs/dbraw/zinc/96/26/18/495962618.db2.gz WKCJNWOZPVTSTE-UONOGXRCSA-N 2 2 360.408 3.121 10 0 FGAELP C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171644240 495962621 /nfs/dbraw/zinc/96/26/21/495962621.db2.gz WKCJNWOZPVTSTE-UONOGXRCSA-N 2 2 360.408 3.121 10 0 FGAELP C[C@H](C(=O)Nc1c(F)cccc1F)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171644235 495962745 /nfs/dbraw/zinc/96/27/45/495962745.db2.gz BKBLHAGOOLICNO-ZIAGYGMSSA-N 2 2 360.408 3.121 10 0 FGAELP C[C@H](C(=O)Nc1c(F)cccc1F)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171644235 495962749 /nfs/dbraw/zinc/96/27/49/495962749.db2.gz BKBLHAGOOLICNO-ZIAGYGMSSA-N 2 2 360.408 3.121 10 0 FGAELP C[C@H](CNC(=O)[C@H](C)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)c1ccccc1 ZINC000171645778 495963751 /nfs/dbraw/zinc/96/37/51/495963751.db2.gz HQVOYLSXISHTSB-CEXWTWQISA-N 2 2 366.509 3.124 10 0 FGAELP C[C@H](CNC(=O)[C@H](C)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)c1ccccc1 ZINC000171645778 495963753 /nfs/dbraw/zinc/96/37/53/495963753.db2.gz HQVOYLSXISHTSB-CEXWTWQISA-N 2 2 366.509 3.124 10 0 FGAELP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)c1ccc(F)cc1 ZINC000171646044 495967075 /nfs/dbraw/zinc/96/70/75/495967075.db2.gz QBTMDGDEULOFCI-YESZJQIVSA-N 2 2 370.472 3.220 10 0 FGAELP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)c1ccc(F)cc1 ZINC000171646044 495967079 /nfs/dbraw/zinc/96/70/79/495967079.db2.gz QBTMDGDEULOFCI-YESZJQIVSA-N 2 2 370.472 3.220 10 0 FGAELP COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)cc1 ZINC000171651250 495970915 /nfs/dbraw/zinc/97/09/15/495970915.db2.gz VLERKSKJBGEJGC-DLBZAZTESA-N 2 2 368.481 3.160 10 0 FGAELP COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)cc1 ZINC000171651250 495970922 /nfs/dbraw/zinc/97/09/22/495970922.db2.gz VLERKSKJBGEJGC-DLBZAZTESA-N 2 2 368.481 3.160 10 0 FGAELP CCOc1ccccc1NC(=O)C[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000171653352 495972413 /nfs/dbraw/zinc/97/24/13/495972413.db2.gz NHGHNYWBDJUGLY-QGZVFWFLSA-N 2 2 368.481 3.161 10 0 FGAELP CCOc1ccccc1NC(=O)C[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000171653352 495972418 /nfs/dbraw/zinc/97/24/18/495972418.db2.gz NHGHNYWBDJUGLY-QGZVFWFLSA-N 2 2 368.481 3.161 10 0 FGAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H]2CCCc3cc(OC)ccc32)nc[nH+]1 ZINC000180568331 496047191 /nfs/dbraw/zinc/04/71/91/496047191.db2.gz COVZJTXLYVBKHV-VQIMIIECSA-N 2 2 367.497 3.163 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@H+](Cc3nnc(C4CC4)n3C3CC3)C2)[nH+]1 ZINC000181362851 496367114 /nfs/dbraw/zinc/36/71/14/496367114.db2.gz RDBAEUMITDEJBQ-OAHLLOKOSA-N 2 2 352.486 3.128 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3nnc(C4CC4)n3C3CC3)C2)[nH+]1 ZINC000181362851 496367118 /nfs/dbraw/zinc/36/71/18/496367118.db2.gz RDBAEUMITDEJBQ-OAHLLOKOSA-N 2 2 352.486 3.128 10 0 FGAELP C[C@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1cccs1 ZINC000173421627 496686750 /nfs/dbraw/zinc/68/67/50/496686750.db2.gz FGYSTJZPHOBPIC-INIZCTEOSA-N 2 2 364.559 3.059 10 0 FGAELP C[N@H+](Cc1cscn1)Cc1cccc(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000168581452 496710519 /nfs/dbraw/zinc/71/05/19/496710519.db2.gz SFRJOPIQKSNYEF-HOTGVXAUSA-N 2 2 358.511 3.231 10 0 FGAELP C[N@@H+](Cc1cscn1)Cc1cccc(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000168581452 496710524 /nfs/dbraw/zinc/71/05/24/496710524.db2.gz SFRJOPIQKSNYEF-HOTGVXAUSA-N 2 2 358.511 3.231 10 0 FGAELP CCO[C@@H]1C[C@H]([NH2+]C[C@H](C2CC2)[N@H+](C)Cc2ccccc2)C12CCOCC2 ZINC000248567379 497043041 /nfs/dbraw/zinc/04/30/41/497043041.db2.gz PIYGTQHZHXXUSZ-BHIFYINESA-N 2 2 372.553 3.461 10 0 FGAELP CCO[C@@H]1C[C@H]([NH2+]C[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)C12CCOCC2 ZINC000248567379 497043048 /nfs/dbraw/zinc/04/30/48/497043048.db2.gz PIYGTQHZHXXUSZ-BHIFYINESA-N 2 2 372.553 3.461 10 0 FGAELP CC(C)c1nnc(C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)n1C ZINC000249364313 497194735 /nfs/dbraw/zinc/19/47/35/497194735.db2.gz OFCOFCGHMTYOCS-YRWFTTLQSA-N 2 2 355.530 3.185 10 0 FGAELP CC(C)c1nnc(C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)n1C ZINC000249364313 497194739 /nfs/dbraw/zinc/19/47/39/497194739.db2.gz OFCOFCGHMTYOCS-YRWFTTLQSA-N 2 2 355.530 3.185 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccn(-c2ccc(F)cc2F)n1 ZINC000190266722 497420095 /nfs/dbraw/zinc/42/00/95/497420095.db2.gz NEAJVLDADQMHDJ-QGZVFWFLSA-N 2 2 357.408 3.320 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccn(-c2ccc(F)cc2F)n1 ZINC000190266722 497420100 /nfs/dbraw/zinc/42/01/00/497420100.db2.gz NEAJVLDADQMHDJ-QGZVFWFLSA-N 2 2 357.408 3.320 10 0 FGAELP [NH3+]C[C@@H]1C[N@@H+]([C@@H]2CCN(c3ccccc3Cl)C2=O)C[C@H]1c1ccccc1 ZINC000261884791 497468919 /nfs/dbraw/zinc/46/89/19/497468919.db2.gz ZARZKRDMIJFRKY-FUHIMQAGSA-N 2 2 369.896 3.120 10 0 FGAELP [NH3+]C[C@@H]1C[N@H+]([C@@H]2CCN(c3ccccc3Cl)C2=O)C[C@H]1c1ccccc1 ZINC000261884791 497468923 /nfs/dbraw/zinc/46/89/23/497468923.db2.gz ZARZKRDMIJFRKY-FUHIMQAGSA-N 2 2 369.896 3.120 10 0 FGAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccc3c(c2)CCO3)C1 ZINC000190461749 497488922 /nfs/dbraw/zinc/48/89/22/497488922.db2.gz OKWOAVXWDUUMEO-QGZVFWFLSA-N 2 2 357.523 3.340 10 0 FGAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc3c(c2)CCO3)C1 ZINC000190461749 497488927 /nfs/dbraw/zinc/48/89/27/497488927.db2.gz OKWOAVXWDUUMEO-QGZVFWFLSA-N 2 2 357.523 3.340 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000190461749 497488929 /nfs/dbraw/zinc/48/89/29/497488929.db2.gz OKWOAVXWDUUMEO-QGZVFWFLSA-N 2 2 357.523 3.340 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000190461749 497488933 /nfs/dbraw/zinc/48/89/33/497488933.db2.gz OKWOAVXWDUUMEO-QGZVFWFLSA-N 2 2 357.523 3.340 10 0 FGAELP Cc1nn(C(C)C)cc1C[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000262006214 497491931 /nfs/dbraw/zinc/49/19/31/497491931.db2.gz UORRWTQJCVSJEA-QGZVFWFLSA-N 2 2 359.543 3.373 10 0 FGAELP Cc1nn(C(C)C)cc1C[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000262006214 497491936 /nfs/dbraw/zinc/49/19/36/497491936.db2.gz UORRWTQJCVSJEA-QGZVFWFLSA-N 2 2 359.543 3.373 10 0 FGAELP COc1cccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)c1OC ZINC000190486874 497500759 /nfs/dbraw/zinc/50/07/59/497500759.db2.gz PYGCIHHSDAIVTG-SFHVURJKSA-N 2 2 355.482 3.053 10 0 FGAELP COc1cccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)c1OC ZINC000190486874 497500761 /nfs/dbraw/zinc/50/07/61/497500761.db2.gz PYGCIHHSDAIVTG-SFHVURJKSA-N 2 2 355.482 3.053 10 0 FGAELP COc1cccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)c1OC ZINC000190486874 497500765 /nfs/dbraw/zinc/50/07/65/497500765.db2.gz PYGCIHHSDAIVTG-SFHVURJKSA-N 2 2 355.482 3.053 10 0 FGAELP COc1cccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)c1OC ZINC000190486874 497500767 /nfs/dbraw/zinc/50/07/67/497500767.db2.gz PYGCIHHSDAIVTG-SFHVURJKSA-N 2 2 355.482 3.053 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccc(O[C@H](C)C(=O)OC)cc2)C1 ZINC000245791443 497538630 /nfs/dbraw/zinc/53/86/30/497538630.db2.gz WDTLZJVYEKSQLY-AEFFLSMTSA-N 2 2 371.481 3.223 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccc(O[C@H](C)C(=O)OC)cc2)C1 ZINC000245791443 497538634 /nfs/dbraw/zinc/53/86/34/497538634.db2.gz WDTLZJVYEKSQLY-AEFFLSMTSA-N 2 2 371.481 3.223 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccc(F)c(F)c3)C2)[nH+]1 ZINC000246077798 497613047 /nfs/dbraw/zinc/61/30/47/497613047.db2.gz DAHUNBOOEWNGLS-HUUCEWRRSA-N 2 2 374.435 3.429 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccc(F)c(F)c3)C2)[nH+]1 ZINC000246077798 497613051 /nfs/dbraw/zinc/61/30/51/497613051.db2.gz DAHUNBOOEWNGLS-HUUCEWRRSA-N 2 2 374.435 3.429 10 0 FGAELP C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246079704 497614493 /nfs/dbraw/zinc/61/44/93/497614493.db2.gz DEIRHNRCYKGVRE-KBPBESRZSA-N 2 2 360.408 3.121 10 0 FGAELP C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246079704 497614495 /nfs/dbraw/zinc/61/44/95/497614495.db2.gz DEIRHNRCYKGVRE-KBPBESRZSA-N 2 2 360.408 3.121 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3cccnc3Cl)C2)[nH+]1 ZINC000246141712 497635880 /nfs/dbraw/zinc/63/58/80/497635880.db2.gz NVPHVCDDEPJSDM-HUUCEWRRSA-N 2 2 373.888 3.199 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@H+]([C@H](C)C(=O)Nc3cccnc3Cl)C2)[nH+]1 ZINC000246141712 497635885 /nfs/dbraw/zinc/63/58/85/497635885.db2.gz NVPHVCDDEPJSDM-HUUCEWRRSA-N 2 2 373.888 3.199 10 0 FGAELP Cc1ccccc1CN(C)C(=O)[C@H](C)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246157873 497641066 /nfs/dbraw/zinc/64/10/66/497641066.db2.gz QPJPEWUKIPKYES-OALUTQOASA-N 2 2 366.509 3.171 10 0 FGAELP Cc1ccccc1CN(C)C(=O)[C@H](C)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246157873 497641070 /nfs/dbraw/zinc/64/10/70/497641070.db2.gz QPJPEWUKIPKYES-OALUTQOASA-N 2 2 366.509 3.171 10 0 FGAELP Fc1ccc2c(c1)[nH+]ccc2N1C[C@H]2OCC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000301625610 498193799 /nfs/dbraw/zinc/19/37/99/498193799.db2.gz HAVUDHWYBQIYSG-FGZHOGPDSA-N 2 2 363.436 3.464 10 0 FGAELP Fc1ccc2c(c1)[nH+]ccc2N1C[C@H]2OCC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000301625610 498193806 /nfs/dbraw/zinc/19/38/06/498193806.db2.gz HAVUDHWYBQIYSG-FGZHOGPDSA-N 2 2 363.436 3.464 10 0 FGAELP Oc1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390670798 499555284 /nfs/dbraw/zinc/55/52/84/499555284.db2.gz RZKMVHGECAVHEB-NQIIRXRSSA-N 2 2 352.478 3.260 10 0 FGAELP Oc1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390670798 499555286 /nfs/dbraw/zinc/55/52/86/499555286.db2.gz RZKMVHGECAVHEB-NQIIRXRSSA-N 2 2 352.478 3.260 10 0 FGAELP CC[C@@H]([NH2+]CCCn1cc[nH+]c1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000188645327 712773982 /nfs/dbraw/zinc/77/39/82/712773982.db2.gz YIAGXMVYPKOETE-IAGOWNOFSA-N 2 2 350.507 3.431 10 0 FGAELP CC[NH+]1CCC(CCNC(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000074714431 494581412 /nfs/dbraw/zinc/58/14/12/494581412.db2.gz MQWPCUQOLOPLQK-KRWDZBQOSA-N 2 2 369.513 3.355 10 0 FGAELP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2cccc(-c3cccnc3)c2)nc[nH+]1 ZINC000132299605 494852831 /nfs/dbraw/zinc/85/28/31/494852831.db2.gz UOBMBVCKBAHBDY-HXUWFJFHSA-N 2 2 374.492 3.339 10 0 FGAELP O=C1[C@H]([N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CCN1c1ccc(Cl)cc1 ZINC000132709492 494912890 /nfs/dbraw/zinc/91/28/90/494912890.db2.gz OUMYKXFZKNAXOS-CRAIPNDOSA-N 2 2 370.884 3.274 10 0 FGAELP O=C1[C@H]([N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CCN1c1ccc(Cl)cc1 ZINC000132709492 494912891 /nfs/dbraw/zinc/91/28/91/494912891.db2.gz OUMYKXFZKNAXOS-CRAIPNDOSA-N 2 2 370.884 3.274 10 0 FGAELP Cc1cc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)c2ccccc2n1 ZINC000124612837 495316147 /nfs/dbraw/zinc/31/61/47/495316147.db2.gz DNPMJZHXZAPCHQ-UHFFFAOYSA-N 2 2 363.509 3.336 10 0 FGAELP Cc1cc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)c2ccccc2n1 ZINC000124612837 495316153 /nfs/dbraw/zinc/31/61/53/495316153.db2.gz DNPMJZHXZAPCHQ-UHFFFAOYSA-N 2 2 363.509 3.336 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N2CCSc3ccccc32)C1 ZINC000106215990 495434103 /nfs/dbraw/zinc/43/41/03/495434103.db2.gz PJILKZQQZQUKMF-MRXNPFEDSA-N 2 2 370.522 3.221 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N2CCSc3ccccc32)C1 ZINC000106215990 495434105 /nfs/dbraw/zinc/43/41/05/495434105.db2.gz PJILKZQQZQUKMF-MRXNPFEDSA-N 2 2 370.522 3.221 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)N(CC)Cc2cccc(F)c2)C1 ZINC000106215856 495434940 /nfs/dbraw/zinc/43/49/40/495434940.db2.gz QONXDFGWUMPWSB-IBGZPJMESA-N 2 2 372.488 3.270 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)N(CC)Cc2cccc(F)c2)C1 ZINC000106215856 495434941 /nfs/dbraw/zinc/43/49/41/495434941.db2.gz QONXDFGWUMPWSB-IBGZPJMESA-N 2 2 372.488 3.270 10 0 FGAELP O=C1[C@H]([N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CCCN1c1cccc(F)c1 ZINC000115539660 495514323 /nfs/dbraw/zinc/51/43/23/495514323.db2.gz GTIWSYQDWKXFDV-VQIMIIECSA-N 2 2 368.456 3.150 10 0 FGAELP O=C1[C@H]([N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CCCN1c1cccc(F)c1 ZINC000115539660 495514326 /nfs/dbraw/zinc/51/43/26/495514326.db2.gz GTIWSYQDWKXFDV-VQIMIIECSA-N 2 2 368.456 3.150 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2nc(CCc3ccccc3)no2)C1 ZINC000173699084 495653491 /nfs/dbraw/zinc/65/34/91/495653491.db2.gz XZFWTDAJHAXRKN-GOSISDBHSA-N 2 2 365.481 3.451 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2nc(CCc3ccccc3)no2)C1 ZINC000173699084 495653494 /nfs/dbraw/zinc/65/34/94/495653494.db2.gz XZFWTDAJHAXRKN-GOSISDBHSA-N 2 2 365.481 3.451 10 0 FGAELP O=C1[C@@H]([N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CCCN1c1ccccc1F ZINC000159135247 495666459 /nfs/dbraw/zinc/66/64/59/495666459.db2.gz YFZHFIJEKVWVIX-APWZRJJASA-N 2 2 368.456 3.150 10 0 FGAELP O=C1[C@@H]([N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CCCN1c1ccccc1F ZINC000159135247 495666464 /nfs/dbraw/zinc/66/64/64/495666464.db2.gz YFZHFIJEKVWVIX-APWZRJJASA-N 2 2 368.456 3.150 10 0 FGAELP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1cc(Cl)ccc1OC(F)F ZINC000151321197 495804803 /nfs/dbraw/zinc/80/48/03/495804803.db2.gz QVUOQIZXXUVQAN-TZMCWYRMSA-N 2 2 362.848 3.439 10 0 FGAELP O[C@@H](C[NH2+]C(c1ccc(F)cc1)c1ccc(F)cc1)C[NH+]1CCCCC1 ZINC000180210512 495909532 /nfs/dbraw/zinc/90/95/32/495909532.db2.gz CATOGIXMBJHOQV-FQEVSTJZSA-N 2 2 360.448 3.491 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3cccnc3Cl)C2)[nH+]1 ZINC000171650897 495970780 /nfs/dbraw/zinc/97/07/80/495970780.db2.gz NVPHVCDDEPJSDM-LSDHHAIUSA-N 2 2 373.888 3.199 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3cccnc3Cl)C2)[nH+]1 ZINC000171650897 495970784 /nfs/dbraw/zinc/97/07/84/495970784.db2.gz NVPHVCDDEPJSDM-LSDHHAIUSA-N 2 2 373.888 3.199 10 0 FGAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2csc(C(C)C)n2)nc[nH+]1 ZINC000186398960 495982595 /nfs/dbraw/zinc/98/25/95/495982595.db2.gz CHHGWXMJBSVIBJ-UONOGXRCSA-N 2 2 360.531 3.418 10 0 FGAELP CCc1nc2c(s1)[C@H]([NH2+]C[C@H]1CCCN1c1cc(NC)[nH+]cn1)CCC2 ZINC000180578017 496051959 /nfs/dbraw/zinc/05/19/59/496051959.db2.gz AVTZWMFOGUXJQV-ZIAGYGMSSA-N 2 2 372.542 3.173 10 0 FGAELP CC(C)n1nccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180649139 496086179 /nfs/dbraw/zinc/08/61/79/496086179.db2.gz SWQLUSVUYWYSCU-HOTGVXAUSA-N 2 2 366.469 3.328 10 0 FGAELP Cc1ccccc1OC[C@H](O)C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180651740 496087213 /nfs/dbraw/zinc/08/72/13/496087213.db2.gz SBIXABHRCWGICX-FXAWDEMLSA-N 2 2 351.450 3.271 10 0 FGAELP C[C@@H]([NH2+]C[C@H](O)COCc1cccs1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180655917 496089701 /nfs/dbraw/zinc/08/97/01/496089701.db2.gz FTYRBVHPQVVYTL-QAPCUYQASA-N 2 2 357.479 3.162 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@@H](O)COc1c(C)ccc(C)c1C ZINC000178328162 496415079 /nfs/dbraw/zinc/41/50/79/496415079.db2.gz KXRZBWUBECZWRO-WOJBJXKFSA-N 2 2 357.498 3.021 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@@H](O)COc1c(C)ccc(C)c1C ZINC000178328162 496415084 /nfs/dbraw/zinc/41/50/84/496415084.db2.gz KXRZBWUBECZWRO-WOJBJXKFSA-N 2 2 357.498 3.021 10 0 FGAELP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)CCCS2 ZINC000187820690 496584087 /nfs/dbraw/zinc/58/40/87/496584087.db2.gz XECXMWWWKXJSFU-CRAIPNDOSA-N 2 2 350.528 3.059 10 0 FGAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccncc2Cl)C1 ZINC000195259957 496864801 /nfs/dbraw/zinc/86/48/01/496864801.db2.gz LBOSCPRAUZVMCT-CQSZACIVSA-N 2 2 350.919 3.454 10 0 FGAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccncc2Cl)C1 ZINC000195259957 496864804 /nfs/dbraw/zinc/86/48/04/496864804.db2.gz LBOSCPRAUZVMCT-CQSZACIVSA-N 2 2 350.919 3.454 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccncc2Cl)C1 ZINC000195259957 496864809 /nfs/dbraw/zinc/86/48/09/496864809.db2.gz LBOSCPRAUZVMCT-CQSZACIVSA-N 2 2 350.919 3.454 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccncc2Cl)C1 ZINC000195259957 496864813 /nfs/dbraw/zinc/86/48/13/496864813.db2.gz LBOSCPRAUZVMCT-CQSZACIVSA-N 2 2 350.919 3.454 10 0 FGAELP O[C@H](C[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1)C[NH+]1CCCCC1 ZINC000189077319 497000766 /nfs/dbraw/zinc/00/07/66/497000766.db2.gz MNRIOBRSQRVXRD-OAHLLOKOSA-N 2 2 350.812 3.295 10 0 FGAELP CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccccc1OC ZINC000193555235 497412561 /nfs/dbraw/zinc/41/25/61/497412561.db2.gz SPEVTGQSQBEZQE-TZIWHRDSSA-N 2 2 354.494 3.155 10 0 FGAELP CC[C@@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccccc1OC ZINC000193555235 497412567 /nfs/dbraw/zinc/41/25/67/497412567.db2.gz SPEVTGQSQBEZQE-TZIWHRDSSA-N 2 2 354.494 3.155 10 0 FGAELP CC(C)CO[C@@H](C)c1noc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)n1 ZINC000245499370 497430593 /nfs/dbraw/zinc/43/05/93/497430593.db2.gz XZGFRNCYKGQLCF-HOTGVXAUSA-N 2 2 359.474 3.132 10 0 FGAELP CC(C)CO[C@@H](C)c1noc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)n1 ZINC000245499370 497430597 /nfs/dbraw/zinc/43/05/97/497430597.db2.gz XZGFRNCYKGQLCF-HOTGVXAUSA-N 2 2 359.474 3.132 10 0 FGAELP Cn1cc[nH+]c1CN(Cc1sccc1Cl)[C@@H]1CC12CC[NH2+]CC2 ZINC000261751451 497444181 /nfs/dbraw/zinc/44/41/81/497444181.db2.gz CEZLXKGHRMKPKN-OAHLLOKOSA-N 2 2 350.919 3.279 10 0 FGAELP [NH3+]C[C@@H]1C[N@@H+]([C@H]2CCN(c3ccccc3Cl)C2=O)C[C@H]1c1ccccc1 ZINC000261884793 497468797 /nfs/dbraw/zinc/46/87/97/497468797.db2.gz ZARZKRDMIJFRKY-UWVAXJGDSA-N 2 2 369.896 3.120 10 0 FGAELP [NH3+]C[C@@H]1C[N@H+]([C@H]2CCN(c3ccccc3Cl)C2=O)C[C@H]1c1ccccc1 ZINC000261884793 497468801 /nfs/dbraw/zinc/46/88/01/497468801.db2.gz ZARZKRDMIJFRKY-UWVAXJGDSA-N 2 2 369.896 3.120 10 0 FGAELP C[C@H](C(=O)Nc1c(F)cccc1F)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246068836 497611149 /nfs/dbraw/zinc/61/11/49/497611149.db2.gz BKBLHAGOOLICNO-KGLIPLIRSA-N 2 2 360.408 3.121 10 0 FGAELP C[C@H](C(=O)Nc1c(F)cccc1F)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246068836 497611151 /nfs/dbraw/zinc/61/11/51/497611151.db2.gz BKBLHAGOOLICNO-KGLIPLIRSA-N 2 2 360.408 3.121 10 0 FGAELP Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246157857 497641459 /nfs/dbraw/zinc/64/14/59/497641459.db2.gz QPJPEWUKIPKYES-MOPGFXCFSA-N 2 2 366.509 3.171 10 0 FGAELP Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246157857 497641463 /nfs/dbraw/zinc/64/14/63/497641463.db2.gz QPJPEWUKIPKYES-MOPGFXCFSA-N 2 2 366.509 3.171 10 0 FGAELP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000246177383 497648477 /nfs/dbraw/zinc/64/84/77/497648477.db2.gz LPYGRYBAOWMBAS-KZNAEPCWSA-N 2 2 369.513 3.353 10 0 FGAELP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000246177383 497648482 /nfs/dbraw/zinc/64/84/82/497648482.db2.gz LPYGRYBAOWMBAS-KZNAEPCWSA-N 2 2 369.513 3.353 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@H]3CCN(c4ccccc4F)C3=O)C2)[nH+]1 ZINC000246596037 497784953 /nfs/dbraw/zinc/78/49/53/497784953.db2.gz PNZLWWGMHORXGQ-LPHOPBHVSA-N 2 2 368.456 3.068 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@H+]([C@H]3CCN(c4ccccc4F)C3=O)C2)[nH+]1 ZINC000246596037 497784957 /nfs/dbraw/zinc/78/49/57/497784957.db2.gz PNZLWWGMHORXGQ-LPHOPBHVSA-N 2 2 368.456 3.068 10 0 FGAELP CC(C)Oc1ccc(C[N@H+](Cc2cncnc2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000328622519 498879334 /nfs/dbraw/zinc/87/93/34/498879334.db2.gz BGTISQFCEDFIKQ-HXUWFJFHSA-N 2 2 354.498 3.408 10 0 FGAELP CC(C)Oc1ccc(C[N@@H+](Cc2cncnc2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000328622519 498879341 /nfs/dbraw/zinc/87/93/41/498879341.db2.gz BGTISQFCEDFIKQ-HXUWFJFHSA-N 2 2 354.498 3.408 10 0 FGAELP C[C@H](C1CC[NH+](Cc2c(Cl)cncc2Cl)CC1)[NH+]1CCN(C)CC1 ZINC000077490052 700253217 /nfs/dbraw/zinc/25/32/17/700253217.db2.gz YSUODSXLKHOZOW-CQSZACIVSA-N 2 2 371.356 3.236 10 0 FGAELP C[N@H+](Cc1ccccc1)C1(C[NH2+]C[C@@H]2CCOC2)Cc2ccccc2C1 ZINC000020598971 220335533 /nfs/dbraw/zinc/33/55/33/220335533.db2.gz WLWWSCMPNYIZTK-FQEVSTJZSA-N 2 2 350.506 3.282 10 0 FGAELP C[N@@H+](Cc1ccccc1)C1(C[NH2+]C[C@@H]2CCOC2)Cc2ccccc2C1 ZINC000020598971 220335535 /nfs/dbraw/zinc/33/55/35/220335535.db2.gz WLWWSCMPNYIZTK-FQEVSTJZSA-N 2 2 350.506 3.282 10 0 FGAELP Cc1ccc2[nH]c(CCNc3nc(CC[NH3+])nc4ccccc43)[nH+]c2c1C ZINC000067712881 221273836 /nfs/dbraw/zinc/27/38/36/221273836.db2.gz SIPZHUVXYADNCO-UHFFFAOYSA-N 2 2 360.465 3.279 10 0 FGAELP Cc1ccc2[nH+]c(CCNc3nc(CC[NH3+])nc4ccccc43)[nH]c2c1C ZINC000067712881 221273839 /nfs/dbraw/zinc/27/38/39/221273839.db2.gz SIPZHUVXYADNCO-UHFFFAOYSA-N 2 2 360.465 3.279 10 0 FGAELP Cc1nc(N2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)c2c([nH+]1)CCCC2 ZINC000190449229 257368339 /nfs/dbraw/zinc/36/83/39/257368339.db2.gz BPFXIEMUFNOZDX-SFHVURJKSA-N 2 2 351.498 3.017 10 0 FGAELP Cc1nc(N2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)c2c([nH+]1)CCCC2 ZINC000190449229 257368340 /nfs/dbraw/zinc/36/83/40/257368340.db2.gz BPFXIEMUFNOZDX-SFHVURJKSA-N 2 2 351.498 3.017 10 0 FGAELP Cc1[nH+]ccn1-c1ccc([C@H](C)[N@@H+]2CCC[C@@]3(CCS(=O)(=O)C3)C2)cc1 ZINC000333380820 257386406 /nfs/dbraw/zinc/38/64/06/257386406.db2.gz BDJLEPQCDWJFSZ-OXJNMPFZSA-N 2 2 373.522 3.142 10 0 FGAELP Cc1[nH+]ccn1-c1ccc([C@H](C)[N@H+]2CCC[C@@]3(CCS(=O)(=O)C3)C2)cc1 ZINC000333380820 257386407 /nfs/dbraw/zinc/38/64/07/257386407.db2.gz BDJLEPQCDWJFSZ-OXJNMPFZSA-N 2 2 373.522 3.142 10 0 FGAELP CC[NH+](CC)[C@H]1CCN(C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000076471216 493899773 /nfs/dbraw/zinc/89/97/73/493899773.db2.gz KJVHUSCXFULXKY-LPHOPBHVSA-N 2 2 355.486 3.059 10 0 FGAELP Cc1cccc(Cl)c1NC(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000132300576 494853135 /nfs/dbraw/zinc/85/31/35/494853135.db2.gz BDZDTGFFDPTESK-OAHLLOKOSA-N 2 2 358.873 3.416 10 0 FGAELP Cc1cccc(Cl)c1NC(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000132300576 494853138 /nfs/dbraw/zinc/85/31/38/494853138.db2.gz BDZDTGFFDPTESK-OAHLLOKOSA-N 2 2 358.873 3.416 10 0 FGAELP Cc1[nH+]c2ccccc2n1CCCNC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000127120852 494896399 /nfs/dbraw/zinc/89/63/99/494896399.db2.gz MRLSOLPRMUNODX-KRWDZBQOSA-N 2 2 359.518 3.010 10 0 FGAELP C[N@H+](Cc1ccc(F)cc1Cl)C1CC[NH+](CCn2cccn2)CC1 ZINC000106130699 495418394 /nfs/dbraw/zinc/41/83/94/495418394.db2.gz DMYHWZOLLNHKKU-UHFFFAOYSA-N 2 2 350.869 3.272 10 0 FGAELP C[N@@H+](Cc1ccc(F)cc1Cl)C1CC[NH+](CCn2cccn2)CC1 ZINC000106130699 495418398 /nfs/dbraw/zinc/41/83/98/495418398.db2.gz DMYHWZOLLNHKKU-UHFFFAOYSA-N 2 2 350.869 3.272 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N2c3ccccc3C[C@@H]2C)C1 ZINC000106216690 495435020 /nfs/dbraw/zinc/43/50/20/495435020.db2.gz MQYUYSWRHGQJGL-FUHWJXTLSA-N 2 2 352.482 3.060 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N2c3ccccc3C[C@@H]2C)C1 ZINC000106216690 495435023 /nfs/dbraw/zinc/43/50/23/495435023.db2.gz MQYUYSWRHGQJGL-FUHWJXTLSA-N 2 2 352.482 3.060 10 0 FGAELP CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173999188 495782137 /nfs/dbraw/zinc/78/21/37/495782137.db2.gz QPHHFOCLKSDDAC-FUHWJXTLSA-N 2 2 357.502 3.209 10 0 FGAELP CCOc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171644258 495962535 /nfs/dbraw/zinc/96/25/35/495962535.db2.gz UDDBLSIEXPYEOD-IAGOWNOFSA-N 2 2 368.481 3.241 10 0 FGAELP CCOc1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171644258 495962536 /nfs/dbraw/zinc/96/25/36/495962536.db2.gz UDDBLSIEXPYEOD-IAGOWNOFSA-N 2 2 368.481 3.241 10 0 FGAELP Cc1ccc(F)cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171642925 495962637 /nfs/dbraw/zinc/96/26/37/495962637.db2.gz WHALTMHDJUQRBA-JKSUJKDBSA-N 2 2 356.445 3.290 10 0 FGAELP Cc1ccc(F)cc1NC(=O)[C@H](C)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171642925 495962640 /nfs/dbraw/zinc/96/26/40/495962640.db2.gz WHALTMHDJUQRBA-JKSUJKDBSA-N 2 2 356.445 3.290 10 0 FGAELP C[C@@H](C(=O)Nc1c(F)cccc1F)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171644231 495962760 /nfs/dbraw/zinc/96/27/60/495962760.db2.gz BKBLHAGOOLICNO-UONOGXRCSA-N 2 2 360.408 3.121 10 0 FGAELP C[C@@H](C(=O)Nc1c(F)cccc1F)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171644231 495962765 /nfs/dbraw/zinc/96/27/65/495962765.db2.gz BKBLHAGOOLICNO-UONOGXRCSA-N 2 2 360.408 3.121 10 0 FGAELP O=C(C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)Nc1cccc2c1N=S=N2 ZINC000171646083 495966665 /nfs/dbraw/zinc/96/66/65/495966665.db2.gz DWWZIECXEWYQPC-CYBMUJFWSA-N 2 2 368.466 3.181 10 0 FGAELP O=C(C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)Nc1cccc2c1N=S=N2 ZINC000171646083 495966669 /nfs/dbraw/zinc/96/66/69/495966669.db2.gz DWWZIECXEWYQPC-CYBMUJFWSA-N 2 2 368.466 3.181 10 0 FGAELP CC(=O)c1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171647587 495967175 /nfs/dbraw/zinc/96/71/75/495967175.db2.gz ZXPYOJZYDFHUQO-NVXWUHKLSA-N 2 2 366.465 3.045 10 0 FGAELP CC(=O)c1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171647587 495967177 /nfs/dbraw/zinc/96/71/77/495967177.db2.gz ZXPYOJZYDFHUQO-NVXWUHKLSA-N 2 2 366.465 3.045 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)Nc3cc(F)ccc3F)C2)[nH+]1 ZINC000171652912 495972122 /nfs/dbraw/zinc/97/21/22/495972122.db2.gz YFKZVGLVRRBPMD-AWEZNQCLSA-N 2 2 360.408 3.041 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)Nc3cc(F)ccc3F)C2)[nH+]1 ZINC000171652912 495972131 /nfs/dbraw/zinc/97/21/31/495972131.db2.gz YFKZVGLVRRBPMD-AWEZNQCLSA-N 2 2 360.408 3.041 10 0 FGAELP CCc1nc(C)c([C@@H](C)[NH2+]C[C@H]2CCCN2c2cc(NC)[nH+]cn2)s1 ZINC000180565187 496046390 /nfs/dbraw/zinc/04/63/90/496046390.db2.gz HRJKPIOZUOHVND-TZMCWYRMSA-N 2 2 360.531 3.165 10 0 FGAELP Cc1ccc(CNC(=O)C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1F ZINC000180647974 496085538 /nfs/dbraw/zinc/08/55/38/496085538.db2.gz ZRZJXWPQQHHVOI-MRXNPFEDSA-N 2 2 366.440 3.287 10 0 FGAELP C[C@@H]1CC[C@@H](NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c2ccccc21 ZINC000153080702 496346781 /nfs/dbraw/zinc/34/67/81/496346781.db2.gz OKPBTUQDGYIJNW-DYESRHJHSA-N 2 2 372.557 3.292 10 0 FGAELP C[C@@H]1CC[C@@H](NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c2ccccc21 ZINC000153080702 496346787 /nfs/dbraw/zinc/34/67/87/496346787.db2.gz OKPBTUQDGYIJNW-DYESRHJHSA-N 2 2 372.557 3.292 10 0 FGAELP C[C@@H](c1nccs1)[NH+]1CCN(CC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC000187555344 496489071 /nfs/dbraw/zinc/48/90/71/496489071.db2.gz YPAKUXKQZQWXPU-INIZCTEOSA-N 2 2 362.518 3.093 10 0 FGAELP C[C@@H](c1nccs1)[NH+]1CCN(CC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC000187555344 496489073 /nfs/dbraw/zinc/48/90/73/496489073.db2.gz YPAKUXKQZQWXPU-INIZCTEOSA-N 2 2 362.518 3.093 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](CCN(C)c2ccccc2)C1 ZINC000195257982 496864731 /nfs/dbraw/zinc/86/47/31/496864731.db2.gz QQGMTTDIXJHJTE-SFHVURJKSA-N 2 2 358.555 3.342 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](CCN(C)c2ccccc2)C1 ZINC000195257982 496864737 /nfs/dbraw/zinc/86/47/37/496864737.db2.gz QQGMTTDIXJHJTE-SFHVURJKSA-N 2 2 358.555 3.342 10 0 FGAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](CCN(C)c2ccccc2)C1 ZINC000195257982 496864744 /nfs/dbraw/zinc/86/47/44/496864744.db2.gz QQGMTTDIXJHJTE-SFHVURJKSA-N 2 2 358.555 3.342 10 0 FGAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](CCN(C)c2ccccc2)C1 ZINC000195257982 496864749 /nfs/dbraw/zinc/86/47/49/496864749.db2.gz QQGMTTDIXJHJTE-SFHVURJKSA-N 2 2 358.555 3.342 10 0 FGAELP C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195286166 496876244 /nfs/dbraw/zinc/87/62/44/496876244.db2.gz VGMOBADGRKBINC-ANTGDGSKSA-N 2 2 372.557 3.013 10 0 FGAELP C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195286166 496876248 /nfs/dbraw/zinc/87/62/48/496876248.db2.gz VGMOBADGRKBINC-ANTGDGSKSA-N 2 2 372.557 3.013 10 0 FGAELP C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195286166 496876252 /nfs/dbraw/zinc/87/62/52/496876252.db2.gz VGMOBADGRKBINC-ANTGDGSKSA-N 2 2 372.557 3.013 10 0 FGAELP C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195286166 496876256 /nfs/dbraw/zinc/87/62/56/496876256.db2.gz VGMOBADGRKBINC-ANTGDGSKSA-N 2 2 372.557 3.013 10 0 FGAELP COC(=O)[C@H](c1ccccc1C)[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000248626771 497062427 /nfs/dbraw/zinc/06/24/27/497062427.db2.gz PUFJVDHHPGHKMK-PXNSSMCTSA-N 2 2 353.466 3.347 10 0 FGAELP COC(=O)[C@H](c1ccccc1C)[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000248626771 497062429 /nfs/dbraw/zinc/06/24/29/497062429.db2.gz PUFJVDHHPGHKMK-PXNSSMCTSA-N 2 2 353.466 3.347 10 0 FGAELP COC(=O)c1oc([C@H](C)[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)cc1C ZINC000248649401 497071961 /nfs/dbraw/zinc/07/19/61/497071961.db2.gz KRNVVRLTLKDBIN-WMZOPIPTSA-N 2 2 371.481 3.285 10 0 FGAELP COC(=O)c1oc([C@H](C)[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)cc1C ZINC000248649401 497071967 /nfs/dbraw/zinc/07/19/67/497071967.db2.gz KRNVVRLTLKDBIN-WMZOPIPTSA-N 2 2 371.481 3.285 10 0 FGAELP COC(=O)c1oc([C@H](C)[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)cc1C ZINC000248649401 497071969 /nfs/dbraw/zinc/07/19/69/497071969.db2.gz KRNVVRLTLKDBIN-WMZOPIPTSA-N 2 2 371.481 3.285 10 0 FGAELP C[C@@H](C(=O)Nc1ccccc1Cl)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261603755 497416995 /nfs/dbraw/zinc/41/69/95/497416995.db2.gz AVRXMEDTZHMKSJ-UAGQMJEPSA-N 2 2 357.885 3.341 10 0 FGAELP C[C@@H](C(=O)Nc1ccccc1Cl)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261603755 497416999 /nfs/dbraw/zinc/41/69/99/497416999.db2.gz AVRXMEDTZHMKSJ-UAGQMJEPSA-N 2 2 357.885 3.341 10 0 FGAELP [NH3+][C@@H](C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(Cl)c1)C1CCOCC1 ZINC000261753928 497446166 /nfs/dbraw/zinc/44/61/66/497446166.db2.gz LHWBPOXCLHJHDU-QGZVFWFLSA-N 2 2 361.829 3.220 10 0 FGAELP COC(=O)c1cccc(C[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)c1 ZINC000261919704 497476305 /nfs/dbraw/zinc/47/63/05/497476305.db2.gz KGDKXWRRXGVCCR-HXUWFJFHSA-N 2 2 353.466 3.013 10 0 FGAELP COC(=O)c1cccc(C[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)c1 ZINC000261919704 497476312 /nfs/dbraw/zinc/47/63/12/497476312.db2.gz KGDKXWRRXGVCCR-HXUWFJFHSA-N 2 2 353.466 3.013 10 0 FGAELP Cc1ccc(C)c(OC[C@@H](O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1C ZINC000246071134 497610837 /nfs/dbraw/zinc/61/08/37/497610837.db2.gz BVUUOSPPTZEYLT-PMACEKPBSA-N 2 2 369.509 3.181 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3cccc(F)c3)C2)[nH+]1 ZINC000246206030 497660297 /nfs/dbraw/zinc/66/02/97/497660297.db2.gz YKOOESIAYINLIO-HZPDHXFCSA-N 2 2 356.445 3.290 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@H+]([C@H](C)C(=O)Nc3cccc(F)c3)C2)[nH+]1 ZINC000246206030 497660302 /nfs/dbraw/zinc/66/03/02/497660302.db2.gz YKOOESIAYINLIO-HZPDHXFCSA-N 2 2 356.445 3.290 10 0 FGAELP C[C@H](c1nc(-c2cccnc2)no1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246759885 497808667 /nfs/dbraw/zinc/80/86/67/497808667.db2.gz NRMOZFXBMUCEIP-CABCVRRESA-N 2 2 350.426 3.022 10 0 FGAELP C[C@H](c1nc(-c2cccnc2)no1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246759885 497808668 /nfs/dbraw/zinc/80/86/68/497808668.db2.gz NRMOZFXBMUCEIP-CABCVRRESA-N 2 2 350.426 3.022 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@@H](O)c1ccccc1C(F)(F)F ZINC000246892516 497818922 /nfs/dbraw/zinc/81/89/22/497818922.db2.gz FHIPOKXDDFGWSZ-WMLDXEAASA-N 2 2 353.388 3.408 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@@H](O)c1ccccc1C(F)(F)F ZINC000246892516 497818923 /nfs/dbraw/zinc/81/89/23/497818923.db2.gz FHIPOKXDDFGWSZ-WMLDXEAASA-N 2 2 353.388 3.408 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N(C)[C@H](C)c2ccc(F)cc2)C1 ZINC000246935689 497821253 /nfs/dbraw/zinc/82/12/53/497821253.db2.gz AVOIWNRQGMLXMB-VQIMIIECSA-N 2 2 372.488 3.441 10 0 FGAELP Cn1c(Cl)cnc1C[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000328604341 498872555 /nfs/dbraw/zinc/87/25/55/498872555.db2.gz JKYLKNCCJSQDHI-CQSZACIVSA-N 2 2 350.919 3.279 10 0 FGAELP Cn1c(Cl)cnc1C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000328604341 498872563 /nfs/dbraw/zinc/87/25/63/498872563.db2.gz JKYLKNCCJSQDHI-CQSZACIVSA-N 2 2 350.919 3.279 10 0 FGAELP O[C@H](C[NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1)COCc1cccs1 ZINC000379658373 499542627 /nfs/dbraw/zinc/54/26/27/499542627.db2.gz WDKLRTOQCCPGBM-WOJBJXKFSA-N 2 2 374.550 3.270 10 0 FGAELP O[C@H](C[NH2+]C[C@H]1CCCC[N@H+]1Cc1ccccc1)COCc1cccs1 ZINC000379658373 499542629 /nfs/dbraw/zinc/54/26/29/499542629.db2.gz WDKLRTOQCCPGBM-WOJBJXKFSA-N 2 2 374.550 3.270 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cn1ncc2c1cccc2Br ZINC000176077631 705570549 /nfs/dbraw/zinc/57/05/49/705570549.db2.gz KHURVYLVKNHJDZ-CQSZACIVSA-N 2 2 374.286 3.426 10 0 FGAELP CC[C@H]1CCc2c(sc(=O)n2C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)C1 ZINC000246360669 713622302 /nfs/dbraw/zinc/62/23/02/713622302.db2.gz MZSLIJXZJJTNLU-HOTGVXAUSA-N 2 2 360.527 3.052 10 0 FGAELP CC[C@H]1CCc2c(sc(=O)n2C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)C1 ZINC000246360669 713622306 /nfs/dbraw/zinc/62/23/06/713622306.db2.gz MZSLIJXZJJTNLU-HOTGVXAUSA-N 2 2 360.527 3.052 10 0 FGAELP Cc1cc(N2CC[NH2+][C@H](c3ccccc3)C2)nc(Nc2cccc(O)c2)[nH+]1 ZINC000095374205 132208978 /nfs/dbraw/zinc/20/89/78/132208978.db2.gz JHFFNWWUOCJCPN-IBGZPJMESA-N 2 2 361.449 3.385 10 0 FGAELP C[C@H](NC(=O)NCCC[NH+]1CCC(C)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000076471029 493899716 /nfs/dbraw/zinc/89/97/16/493899716.db2.gz GZGLIXNDIFVWMS-SFHVURJKSA-N 2 2 369.513 3.355 10 0 FGAELP CCC[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)[NH+](C)C ZINC000124436394 495287074 /nfs/dbraw/zinc/28/70/74/495287074.db2.gz YPRSCOJZQYLXCG-GVDBMIGSSA-N 2 2 355.885 3.071 10 0 FGAELP CCC[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)[NH+](C)C ZINC000124436394 495287076 /nfs/dbraw/zinc/28/70/76/495287076.db2.gz YPRSCOJZQYLXCG-GVDBMIGSSA-N 2 2 355.885 3.071 10 0 FGAELP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+][C@@H](CC(C)C)C[NH+](C)C)cc1 ZINC000120347740 495357876 /nfs/dbraw/zinc/35/78/76/495357876.db2.gz ZUXZSZVLYSFIHM-QAPCUYQASA-N 2 2 355.548 3.075 10 0 FGAELP CC(C)Oc1ccccc1C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106128521 495418479 /nfs/dbraw/zinc/41/84/79/495418479.db2.gz KGILWORBMHYUQH-UHFFFAOYSA-N 2 2 356.514 3.267 10 0 FGAELP CC(C)Oc1ccccc1C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106128521 495418481 /nfs/dbraw/zinc/41/84/81/495418481.db2.gz KGILWORBMHYUQH-UHFFFAOYSA-N 2 2 356.514 3.267 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)cc2)C1 ZINC000106214302 495433110 /nfs/dbraw/zinc/43/31/10/495433110.db2.gz WEFKVPLFCYYUBW-IRXDYDNUSA-N 2 2 363.889 3.176 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@H](O)COc2ccc(Cl)cc2)C1 ZINC000106214302 495433114 /nfs/dbraw/zinc/43/31/14/495433114.db2.gz WEFKVPLFCYYUBW-IRXDYDNUSA-N 2 2 363.889 3.176 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCCOc2ccc3c(c2)OCO3)C1 ZINC000106212494 495433166 /nfs/dbraw/zinc/43/31/66/495433166.db2.gz OOYWJJGILBEEBY-INIZCTEOSA-N 2 2 357.454 3.280 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCCOc2ccc3c(c2)OCO3)C1 ZINC000106212494 495433170 /nfs/dbraw/zinc/43/31/70/495433170.db2.gz OOYWJJGILBEEBY-INIZCTEOSA-N 2 2 357.454 3.280 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(F)c(F)c2)C1 ZINC000106215183 495435571 /nfs/dbraw/zinc/43/55/71/495435571.db2.gz LHYPYQYAIMTMTA-ZFWWWQNUSA-N 2 2 362.424 3.388 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(F)c(F)c2)C1 ZINC000106215183 495435576 /nfs/dbraw/zinc/43/55/76/495435576.db2.gz LHYPYQYAIMTMTA-ZFWWWQNUSA-N 2 2 362.424 3.388 10 0 FGAELP CC(C)c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000107073960 495521892 /nfs/dbraw/zinc/52/18/92/495521892.db2.gz DNJUXQCFPVZTJU-RTBURBONSA-N 2 2 369.509 3.379 10 0 FGAELP CC(C)c1ccccc1OC[C@H](O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000107073960 495521893 /nfs/dbraw/zinc/52/18/93/495521893.db2.gz DNJUXQCFPVZTJU-RTBURBONSA-N 2 2 369.509 3.379 10 0 FGAELP C[N@H+](Cc1cccc(Cl)c1F)C1CC[NH+](CCn2cccn2)CC1 ZINC000179519534 495626947 /nfs/dbraw/zinc/62/69/47/495626947.db2.gz DCLIGBJEEGCPQZ-UHFFFAOYSA-N 2 2 350.869 3.272 10 0 FGAELP C[N@@H+](Cc1cccc(Cl)c1F)C1CC[NH+](CCn2cccn2)CC1 ZINC000179519534 495626953 /nfs/dbraw/zinc/62/69/53/495626953.db2.gz DCLIGBJEEGCPQZ-UHFFFAOYSA-N 2 2 350.869 3.272 10 0 FGAELP CC(C)CO[C@H](C)c1noc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)n1 ZINC000173897281 495737750 /nfs/dbraw/zinc/73/77/50/495737750.db2.gz XZGFRNCYKGQLCF-HZPDHXFCSA-N 2 2 359.474 3.132 10 0 FGAELP CC(C)CO[C@H](C)c1noc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)n1 ZINC000173897281 495737754 /nfs/dbraw/zinc/73/77/54/495737754.db2.gz XZGFRNCYKGQLCF-HZPDHXFCSA-N 2 2 359.474 3.132 10 0 FGAELP Cn1c(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)nnc1C1CC1 ZINC000171384339 495848737 /nfs/dbraw/zinc/84/87/37/495848737.db2.gz DLVOZXUAXKAONK-UHFFFAOYSA-N 2 2 353.514 3.037 10 0 FGAELP Cn1c(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)nnc1C1CC1 ZINC000171384339 495848739 /nfs/dbraw/zinc/84/87/39/495848739.db2.gz DLVOZXUAXKAONK-UHFFFAOYSA-N 2 2 353.514 3.037 10 0 FGAELP C[NH+]1CCC([NH2+][C@H](c2ccc(Br)cc2)c2cncnc2)CC1 ZINC000186089073 495850636 /nfs/dbraw/zinc/85/06/36/495850636.db2.gz SOPNUZNMLOJECF-QGZVFWFLSA-N 2 2 361.287 3.012 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cnc2ccc(Br)cn12 ZINC000180121296 495867396 /nfs/dbraw/zinc/86/73/96/495867396.db2.gz TYPBCGWZYDMBKM-OAHLLOKOSA-N 2 2 374.286 3.266 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cnc2ccc(Br)cn12 ZINC000180121296 495867399 /nfs/dbraw/zinc/86/73/99/495867399.db2.gz TYPBCGWZYDMBKM-OAHLLOKOSA-N 2 2 374.286 3.266 10 0 FGAELP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)C12CCOCC2 ZINC000186240851 495908674 /nfs/dbraw/zinc/90/86/74/495908674.db2.gz BWZVGHUTWSCXPJ-NJDAHSKKSA-N 2 2 358.526 3.215 10 0 FGAELP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C12CCOCC2 ZINC000186240851 495908681 /nfs/dbraw/zinc/90/86/81/495908681.db2.gz BWZVGHUTWSCXPJ-NJDAHSKKSA-N 2 2 358.526 3.215 10 0 FGAELP COc1ccc([C@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000180210579 495908817 /nfs/dbraw/zinc/90/88/17/495908817.db2.gz ZLVCRNRCZDGAAJ-IFMALSPDSA-N 2 2 354.494 3.221 10 0 FGAELP CCC[C@@H](C(=O)Nc1cccc(C[N@H+](C)Cc2cscn2)c1)[NH+](C)C ZINC000155311730 495914754 /nfs/dbraw/zinc/91/47/54/495914754.db2.gz VKVDXVTWAHHJDD-SFHVURJKSA-N 2 2 360.527 3.444 10 0 FGAELP CCC[C@@H](C(=O)Nc1cccc(C[N@@H+](C)Cc2cscn2)c1)[NH+](C)C ZINC000155311730 495914761 /nfs/dbraw/zinc/91/47/61/495914761.db2.gz VKVDXVTWAHHJDD-SFHVURJKSA-N 2 2 360.527 3.444 10 0 FGAELP CCO[C@H]1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)C12CCOCC2 ZINC000186274671 495923913 /nfs/dbraw/zinc/92/39/13/495923913.db2.gz MYVXABNWVTUDSO-OALUTQOASA-N 2 2 359.445 3.075 10 0 FGAELP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)C12CCOCC2 ZINC000186274653 495924119 /nfs/dbraw/zinc/92/41/19/495924119.db2.gz MYVXABNWVTUDSO-RBUKOAKNSA-N 2 2 359.445 3.075 10 0 FGAELP C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccc(-n2cnnn2)cc1 ZINC000151714022 495925663 /nfs/dbraw/zinc/92/56/63/495925663.db2.gz SQAXYZZUDNUELO-CVEARBPZSA-N 2 2 359.437 3.260 10 0 FGAELP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1C ZINC000171643376 495961828 /nfs/dbraw/zinc/96/18/28/495961828.db2.gz LQXBWCDZPVBJDW-QZTJIDSGSA-N 2 2 352.482 3.459 10 0 FGAELP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1C ZINC000171643376 495961834 /nfs/dbraw/zinc/96/18/34/495961834.db2.gz LQXBWCDZPVBJDW-QZTJIDSGSA-N 2 2 352.482 3.459 10 0 FGAELP CCN(Cc1cccc(F)c1)C(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000171645296 495963485 /nfs/dbraw/zinc/96/34/85/495963485.db2.gz GXANEZJULIMTCJ-SFHVURJKSA-N 2 2 370.472 3.003 10 0 FGAELP CCN(Cc1cccc(F)c1)C(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000171645296 495963490 /nfs/dbraw/zinc/96/34/90/495963490.db2.gz GXANEZJULIMTCJ-SFHVURJKSA-N 2 2 370.472 3.003 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1nnc(-c2ccc(Cl)cc2)n1C ZINC000186363290 495965846 /nfs/dbraw/zinc/96/58/46/495965846.db2.gz JLVIQYOMLMBPGP-QGZVFWFLSA-N 2 2 370.888 3.305 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1nnc(-c2ccc(Cl)cc2)n1C ZINC000186363290 495965849 /nfs/dbraw/zinc/96/58/49/495965849.db2.gz JLVIQYOMLMBPGP-QGZVFWFLSA-N 2 2 370.888 3.305 10 0 FGAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2cnc3ccsc3c2)nc[nH+]1 ZINC000180569014 496048733 /nfs/dbraw/zinc/04/87/33/496048733.db2.gz VPCHZGFJFUSXJQ-ZFWWWQNUSA-N 2 2 368.510 3.448 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)Cn2c3ccccc3[nH+]c2CC)C1 ZINC000171821169 496051259 /nfs/dbraw/zinc/05/12/59/496051259.db2.gz ZYZOPAKALBGVLU-INIZCTEOSA-N 2 2 365.481 3.221 10 0 FGAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](c2ccccc2)c2ccccn2)nc[nH+]1 ZINC000180851115 496170840 /nfs/dbraw/zinc/17/08/40/496170840.db2.gz LJJAHUXETQDDAI-GCJKJVERSA-N 2 2 374.492 3.261 10 0 FGAELP C[N@H+](CCOc1cccc(Cl)c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000162588299 496378909 /nfs/dbraw/zinc/37/89/09/496378909.db2.gz BHMDZEMINOUZBC-UHFFFAOYSA-N 2 2 362.905 3.012 10 0 FGAELP C[N@@H+](CCOc1cccc(Cl)c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000162588299 496378911 /nfs/dbraw/zinc/37/89/11/496378911.db2.gz BHMDZEMINOUZBC-UHFFFAOYSA-N 2 2 362.905 3.012 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000178746449 496559165 /nfs/dbraw/zinc/55/91/65/496559165.db2.gz GIUTUVRNYPDUGP-AWEZNQCLSA-N 2 2 350.825 3.087 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000178746449 496559174 /nfs/dbraw/zinc/55/91/74/496559174.db2.gz GIUTUVRNYPDUGP-AWEZNQCLSA-N 2 2 350.825 3.087 10 0 FGAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2cnn(C(C)(C)C)c2C)nc[nH+]1 ZINC000191357091 496736258 /nfs/dbraw/zinc/73/62/58/496736258.db2.gz XADYUKQPXUFQAV-ZBFHGGJFSA-N 2 2 371.533 3.098 10 0 FGAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccncc2Cl)C1 ZINC000195259949 496864874 /nfs/dbraw/zinc/86/48/74/496864874.db2.gz LBOSCPRAUZVMCT-AWEZNQCLSA-N 2 2 350.919 3.454 10 0 FGAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccncc2Cl)C1 ZINC000195259949 496864880 /nfs/dbraw/zinc/86/48/80/496864880.db2.gz LBOSCPRAUZVMCT-AWEZNQCLSA-N 2 2 350.919 3.454 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccncc2Cl)C1 ZINC000195259949 496864884 /nfs/dbraw/zinc/86/48/84/496864884.db2.gz LBOSCPRAUZVMCT-AWEZNQCLSA-N 2 2 350.919 3.454 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccncc2Cl)C1 ZINC000195259949 496864889 /nfs/dbraw/zinc/86/48/89/496864889.db2.gz LBOSCPRAUZVMCT-AWEZNQCLSA-N 2 2 350.919 3.454 10 0 FGAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)CCc2ccccc2)C1 ZINC000195256923 496864908 /nfs/dbraw/zinc/86/49/08/496864908.db2.gz XTRMZIHZRHVWPW-WOJBJXKFSA-N 2 2 373.566 3.199 10 0 FGAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)CCc2ccccc2)C1 ZINC000195256923 496864911 /nfs/dbraw/zinc/86/49/11/496864911.db2.gz XTRMZIHZRHVWPW-WOJBJXKFSA-N 2 2 373.566 3.199 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)CCc2ccccc2)C1 ZINC000195256923 496864914 /nfs/dbraw/zinc/86/49/14/496864914.db2.gz XTRMZIHZRHVWPW-WOJBJXKFSA-N 2 2 373.566 3.199 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)CCc2ccccc2)C1 ZINC000195256923 496864917 /nfs/dbraw/zinc/86/49/17/496864917.db2.gz XTRMZIHZRHVWPW-WOJBJXKFSA-N 2 2 373.566 3.199 10 0 FGAELP COC(=O)c1cc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)c(C)s1 ZINC000195289480 496877280 /nfs/dbraw/zinc/87/72/80/496877280.db2.gz SADRQYZWWUNTOQ-KRWDZBQOSA-N 2 2 373.522 3.192 10 0 FGAELP COC(=O)c1cc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)c(C)s1 ZINC000195289480 496877284 /nfs/dbraw/zinc/87/72/84/496877284.db2.gz SADRQYZWWUNTOQ-KRWDZBQOSA-N 2 2 373.522 3.192 10 0 FGAELP COC(=O)c1cc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)c(C)s1 ZINC000195289480 496877286 /nfs/dbraw/zinc/87/72/86/496877286.db2.gz SADRQYZWWUNTOQ-KRWDZBQOSA-N 2 2 373.522 3.192 10 0 FGAELP COC(=O)c1cc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)c(C)s1 ZINC000195289480 496877288 /nfs/dbraw/zinc/87/72/88/496877288.db2.gz SADRQYZWWUNTOQ-KRWDZBQOSA-N 2 2 373.522 3.192 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)NCc2ccc(C)cc2)C1 ZINC000247590177 496893257 /nfs/dbraw/zinc/89/32/57/496893257.db2.gz JNWYTLXEFAQMMS-MJGOQNOKSA-N 2 2 354.498 3.096 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)NCc2ccc(C)cc2)C1 ZINC000247590177 496893266 /nfs/dbraw/zinc/89/32/66/496893266.db2.gz JNWYTLXEFAQMMS-MJGOQNOKSA-N 2 2 354.498 3.096 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C(=O)NC2CC2)c2ccc(F)cc2)C1 ZINC000247598396 496894498 /nfs/dbraw/zinc/89/44/98/496894498.db2.gz KQGGBFJDOYJVCR-AZUAARDMSA-N 2 2 370.472 3.241 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C(=O)NC2CC2)c2ccc(F)cc2)C1 ZINC000247598396 496894504 /nfs/dbraw/zinc/89/45/04/496894504.db2.gz KQGGBFJDOYJVCR-AZUAARDMSA-N 2 2 370.472 3.241 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cc(C)ccc2OC)C1 ZINC000247815918 496919248 /nfs/dbraw/zinc/91/92/48/496919248.db2.gz WFQUXFCURIRVOY-SJORKVTESA-N 2 2 370.497 3.427 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cc(C)ccc2OC)C1 ZINC000247815918 496919252 /nfs/dbraw/zinc/91/92/52/496919252.db2.gz WFQUXFCURIRVOY-SJORKVTESA-N 2 2 370.497 3.427 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2)C1 ZINC000247815799 496919412 /nfs/dbraw/zinc/91/94/12/496919412.db2.gz WEFKVPLFCYYUBW-IAGOWNOFSA-N 2 2 363.889 3.176 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2)C1 ZINC000247815799 496919416 /nfs/dbraw/zinc/91/94/16/496919416.db2.gz WEFKVPLFCYYUBW-IAGOWNOFSA-N 2 2 363.889 3.176 10 0 FGAELP C[C@H]([NH2+]CC(=O)NCC1(c2ccccc2)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189905116 497287267 /nfs/dbraw/zinc/28/72/67/497287267.db2.gz QBEPFPLHBGXOQI-SFHVURJKSA-N 2 2 374.488 3.371 10 0 FGAELP CC(C)c1nnc(NC(=O)C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)s1 ZINC000189911111 497289946 /nfs/dbraw/zinc/28/99/46/497289946.db2.gz AURJONQLPXZXCM-ZDUSSCGKSA-N 2 2 370.482 3.137 10 0 FGAELP Cn1ccnc1C[N@H+](Cc1cc(Cl)cs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000261811332 497455266 /nfs/dbraw/zinc/45/52/66/497455266.db2.gz HQYVKSJACVIWAL-OAHLLOKOSA-N 2 2 350.919 3.279 10 0 FGAELP Cn1ccnc1C[N@@H+](Cc1cc(Cl)cs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000261811332 497455269 /nfs/dbraw/zinc/45/52/69/497455269.db2.gz HQYVKSJACVIWAL-OAHLLOKOSA-N 2 2 350.919 3.279 10 0 FGAELP Cn1cc[nH+]c1CN(Cc1cc(Cl)cs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000261811332 497455274 /nfs/dbraw/zinc/45/52/74/497455274.db2.gz HQYVKSJACVIWAL-OAHLLOKOSA-N 2 2 350.919 3.279 10 0 FGAELP CC(C)(C)n1cc(C[N@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)nn1 ZINC000261929639 497477295 /nfs/dbraw/zinc/47/72/95/497477295.db2.gz LKKWZONGOOEGDK-KRWDZBQOSA-N 2 2 359.543 3.239 10 0 FGAELP CC(C)(C)n1cc(C[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)nn1 ZINC000261929639 497477298 /nfs/dbraw/zinc/47/72/98/497477298.db2.gz LKKWZONGOOEGDK-KRWDZBQOSA-N 2 2 359.543 3.239 10 0 FGAELP Cc1sc(NC(=O)C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c(C)c1C ZINC000262155896 497516521 /nfs/dbraw/zinc/51/65/21/497516521.db2.gz GKRODHBRFNKVEN-MSOLQXFVSA-N 2 2 357.523 3.286 10 0 FGAELP Cc1sc(NC(=O)C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c(C)c1C ZINC000262155896 497516526 /nfs/dbraw/zinc/51/65/26/497516526.db2.gz GKRODHBRFNKVEN-MSOLQXFVSA-N 2 2 357.523 3.286 10 0 FGAELP C[C@@H]1CC[N@H+](C[C@H](O)CO[C@H]2CCCc3ccccc32)C[C@H]1n1cc[nH+]c1 ZINC000245743820 497525877 /nfs/dbraw/zinc/52/58/77/497525877.db2.gz XRHJQNYRHRWLEC-YKWDRNOUSA-N 2 2 369.509 3.221 10 0 FGAELP C[C@@H]1CC[N@@H+](C[C@H](O)CO[C@H]2CCCc3ccccc32)C[C@H]1n1cc[nH+]c1 ZINC000245743820 497525882 /nfs/dbraw/zinc/52/58/82/497525882.db2.gz XRHJQNYRHRWLEC-YKWDRNOUSA-N 2 2 369.509 3.221 10 0 FGAELP C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246070766 497610930 /nfs/dbraw/zinc/61/09/30/497610930.db2.gz BPXDWMFXLGNMFF-KSZLIROESA-N 2 2 364.493 3.182 10 0 FGAELP C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246070766 497610937 /nfs/dbraw/zinc/61/09/37/497610937.db2.gz BPXDWMFXLGNMFF-KSZLIROESA-N 2 2 364.493 3.182 10 0 FGAELP CCN(C(=O)[C@@H](C)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)c1ccccc1 ZINC000246203292 497659060 /nfs/dbraw/zinc/65/90/60/497659060.db2.gz XVEBWPKYEKKMFM-MSOLQXFVSA-N 2 2 352.482 3.257 10 0 FGAELP CCN(C(=O)[C@@H](C)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)c1ccccc1 ZINC000246203292 497659064 /nfs/dbraw/zinc/65/90/64/497659064.db2.gz XVEBWPKYEKKMFM-MSOLQXFVSA-N 2 2 352.482 3.257 10 0 FGAELP Cn1cc([C@@H](CNc2cc[nH+]c3c(Br)cccc23)[NH+](C)C)cn1 ZINC000301298213 498046178 /nfs/dbraw/zinc/04/61/78/498046178.db2.gz SWVYIEXVMZVMAW-MRXNPFEDSA-N 2 2 374.286 3.446 10 0 FGAELP CC(C)c1nc(NC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)nc(N(C)C)[nH+]1 ZINC000301977273 498352769 /nfs/dbraw/zinc/35/27/69/498352769.db2.gz WNMGEIVYLXFDCG-SJLPKXTDSA-N 2 2 368.529 3.384 10 0 FGAELP CC(C)c1nc(NC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)nc(N(C)C)[nH+]1 ZINC000301977273 498352777 /nfs/dbraw/zinc/35/27/77/498352777.db2.gz WNMGEIVYLXFDCG-SJLPKXTDSA-N 2 2 368.529 3.384 10 0 FGAELP CCc1c[nH+]c(C)nc1N1CCC([NH2+]Cc2c(C)cc(C)nc2OC)CC1 ZINC000095530930 536019261 /nfs/dbraw/zinc/01/92/61/536019261.db2.gz HNBAIMFHMRZOSN-UHFFFAOYSA-N 2 2 369.513 3.126 10 0 FGAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2cc(Cl)ccc2O)nc[nH+]1 ZINC000185992133 712706601 /nfs/dbraw/zinc/70/66/01/712706601.db2.gz KADCMPMQVPGZPE-OCCSQVGLSA-N 2 2 361.877 3.197 10 0 FGAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+](C)Cc3ccc(F)c(F)c3)c2cc1C ZINC000051314430 493961013 /nfs/dbraw/zinc/96/10/13/493961013.db2.gz AHYFXSARLGIULI-MRXNPFEDSA-N 2 2 359.420 3.424 10 0 FGAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+](C)Cc3ccc(F)c(F)c3)c2cc1C ZINC000051314430 493961016 /nfs/dbraw/zinc/96/10/16/493961016.db2.gz AHYFXSARLGIULI-MRXNPFEDSA-N 2 2 359.420 3.424 10 0 FGAELP CC[NH+]1CCC(CCNC(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000074714434 494581646 /nfs/dbraw/zinc/58/16/46/494581646.db2.gz MQWPCUQOLOPLQK-QGZVFWFLSA-N 2 2 369.513 3.355 10 0 FGAELP C[C@H](NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000074876622 494637704 /nfs/dbraw/zinc/63/77/04/494637704.db2.gz BUVPJMGGCAUJBJ-HKUYNNGSSA-N 2 2 369.513 3.449 10 0 FGAELP C[C@H](NC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000074876622 494637710 /nfs/dbraw/zinc/63/77/10/494637710.db2.gz BUVPJMGGCAUJBJ-HKUYNNGSSA-N 2 2 369.513 3.449 10 0 FGAELP O=C1[C@H]([N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)CCN1c1ccc(Cl)cc1 ZINC000132709286 494912971 /nfs/dbraw/zinc/91/29/71/494912971.db2.gz OUMYKXFZKNAXOS-MAUKXSAKSA-N 2 2 370.884 3.274 10 0 FGAELP O=C1[C@H]([N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)CCN1c1ccc(Cl)cc1 ZINC000132709286 494912974 /nfs/dbraw/zinc/91/29/74/494912974.db2.gz OUMYKXFZKNAXOS-MAUKXSAKSA-N 2 2 370.884 3.274 10 0 FGAELP Cc1cccc(O[C@H](C)CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)c1 ZINC000119644614 495208071 /nfs/dbraw/zinc/20/80/71/495208071.db2.gz KOCUGWXZIHLFRG-OAHLLOKOSA-N 2 2 360.421 3.398 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@@H+]([C@@H](C)c3cn(-c4ccccc4)nn3)C2)[nH+]1 ZINC000125239328 495412159 /nfs/dbraw/zinc/41/21/59/495412159.db2.gz AGMKTAKSJSYAKM-ZWKOTPCHSA-N 2 2 362.481 3.466 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@H+]([C@@H](C)c3cn(-c4ccccc4)nn3)C2)[nH+]1 ZINC000125239328 495412163 /nfs/dbraw/zinc/41/21/63/495412163.db2.gz AGMKTAKSJSYAKM-ZWKOTPCHSA-N 2 2 362.481 3.466 10 0 FGAELP C[N@H+](Cc1ccccc1OC(F)F)C1CC[NH+](CCn2cccn2)CC1 ZINC000106129023 495418376 /nfs/dbraw/zinc/41/83/76/495418376.db2.gz PWASYZWFGUWWAK-UHFFFAOYSA-N 2 2 364.440 3.081 10 0 FGAELP C[N@@H+](Cc1ccccc1OC(F)F)C1CC[NH+](CCn2cccn2)CC1 ZINC000106129023 495418378 /nfs/dbraw/zinc/41/83/78/495418378.db2.gz PWASYZWFGUWWAK-UHFFFAOYSA-N 2 2 364.440 3.081 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)Nc2cccc3c2N=S=N3)C1 ZINC000106217195 495434786 /nfs/dbraw/zinc/43/47/86/495434786.db2.gz JFRXBVANSAKYBQ-CYBMUJFWSA-N 2 2 370.482 3.448 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc3c2N=S=N3)C1 ZINC000106217195 495434789 /nfs/dbraw/zinc/43/47/89/495434789.db2.gz JFRXBVANSAKYBQ-CYBMUJFWSA-N 2 2 370.482 3.448 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)NCCc2ccc(Cl)cc2)C1 ZINC000106216281 495434888 /nfs/dbraw/zinc/43/48/88/495434888.db2.gz SQFFWGATZFOFQJ-GOSISDBHSA-N 2 2 374.916 3.095 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)NCCc2ccc(Cl)cc2)C1 ZINC000106216281 495434889 /nfs/dbraw/zinc/43/48/89/495434889.db2.gz SQFFWGATZFOFQJ-GOSISDBHSA-N 2 2 374.916 3.095 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NCCC2=CCCCC2)C1 ZINC000106215597 495435504 /nfs/dbraw/zinc/43/55/04/495435504.db2.gz RWPPKSJOPIPHIY-PKOBYXMFSA-N 2 2 358.530 3.478 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NCCC2=CCCCC2)C1 ZINC000106215597 495435507 /nfs/dbraw/zinc/43/55/07/495435507.db2.gz RWPPKSJOPIPHIY-PKOBYXMFSA-N 2 2 358.530 3.478 10 0 FGAELP CCc1noc([C@H](C)[NH+]2CCN(c3cc[nH+]c4ccc(C)cc43)CC2)n1 ZINC000185645758 495660350 /nfs/dbraw/zinc/66/03/50/495660350.db2.gz WYBVVCVZJFUAFU-HNNXBMFYSA-N 2 2 351.454 3.372 10 0 FGAELP C[C@@H](NC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173953123 495761244 /nfs/dbraw/zinc/76/12/44/495761244.db2.gz KBUMUXRVCRCMBJ-MSOLQXFVSA-N 2 2 374.488 3.496 10 0 FGAELP C[C@@H](NC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173953123 495761250 /nfs/dbraw/zinc/76/12/50/495761250.db2.gz KBUMUXRVCRCMBJ-MSOLQXFVSA-N 2 2 374.488 3.496 10 0 FGAELP COc1cc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)ccc1OC(=O)C1CC1 ZINC000180126041 495868869 /nfs/dbraw/zinc/86/88/69/495868869.db2.gz QLRGPPZHVDNVFX-GOSISDBHSA-N 2 2 369.465 3.180 10 0 FGAELP COc1cc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)ccc1OC(=O)C1CC1 ZINC000180126041 495868873 /nfs/dbraw/zinc/86/88/73/495868873.db2.gz QLRGPPZHVDNVFX-GOSISDBHSA-N 2 2 369.465 3.180 10 0 FGAELP Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000171648150 495966482 /nfs/dbraw/zinc/96/64/82/495966482.db2.gz XTKIVRSHSQPYQV-HNNXBMFYSA-N 2 2 358.873 3.416 10 0 FGAELP Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000171648150 495966484 /nfs/dbraw/zinc/96/64/84/495966484.db2.gz XTKIVRSHSQPYQV-HNNXBMFYSA-N 2 2 358.873 3.416 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)Nc3cc(C(C)(C)C)no3)C2)[nH+]1 ZINC000171651321 495969581 /nfs/dbraw/zinc/96/95/81/495969581.db2.gz YXKLMZRDXKIWQI-OAHLLOKOSA-N 2 2 371.485 3.048 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)Nc3cc(C(C)(C)C)no3)C2)[nH+]1 ZINC000171651321 495969582 /nfs/dbraw/zinc/96/95/82/495969582.db2.gz YXKLMZRDXKIWQI-OAHLLOKOSA-N 2 2 371.485 3.048 10 0 FGAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2ccc3ccccc3n2)nc[nH+]1 ZINC000180569130 496048760 /nfs/dbraw/zinc/04/87/60/496048760.db2.gz LQQDVUAWGAKTGY-NVXWUHKLSA-N 2 2 362.481 3.386 10 0 FGAELP C[C@H]([NH2+]CC(=O)Nc1cc(C(C)(C)C)no1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180649287 496085508 /nfs/dbraw/zinc/08/55/08/496085508.db2.gz WCBXISLCVBZROL-AWEZNQCLSA-N 2 2 367.453 3.447 10 0 FGAELP C[C@H]([NH2+]C[C@@H](O)COCc1ccccc1F)c1cccc(-n2cc[nH+]c2)c1 ZINC000180663894 496094198 /nfs/dbraw/zinc/09/41/98/496094198.db2.gz MGFMDQJVIVZANW-OXJNMPFZSA-N 2 2 369.440 3.240 10 0 FGAELP C[C@@H](NC(=O)NC1CC[NH+](CC2CC2)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000175232550 496300918 /nfs/dbraw/zinc/30/09/18/496300918.db2.gz ZUQFUBDKJCXQBL-MRXNPFEDSA-N 2 2 367.497 3.107 10 0 FGAELP Cc1ccccc1Cc1noc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)n1 ZINC000175620323 496467814 /nfs/dbraw/zinc/46/78/14/496467814.db2.gz HHVUYDTULIETPA-KRWDZBQOSA-N 2 2 363.465 3.298 10 0 FGAELP Cc1ccccc1Cc1noc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)n1 ZINC000175620323 496467819 /nfs/dbraw/zinc/46/78/19/496467819.db2.gz HHVUYDTULIETPA-KRWDZBQOSA-N 2 2 363.465 3.298 10 0 FGAELP C[C@@H](Nc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1)c1ccc2c(c1)OCCO2 ZINC000178856029 496595272 /nfs/dbraw/zinc/59/52/72/496595272.db2.gz BHZUHUVXXVVYHO-CYBMUJFWSA-N 2 2 374.404 3.155 10 0 FGAELP CC(C)C[C@H](C[NH+](C)C)[NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1 ZINC000187953967 496630814 /nfs/dbraw/zinc/63/08/14/496630814.db2.gz NGCVLKXYGZYLGF-LXPRWKDFSA-N 2 2 371.525 3.160 10 0 FGAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)c2ccc(F)cc2)C1 ZINC000195250874 496861775 /nfs/dbraw/zinc/86/17/75/496861775.db2.gz LOLVMIHJNRBZRA-QAPCUYQASA-N 2 2 363.502 3.078 10 0 FGAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)c2ccc(F)cc2)C1 ZINC000195250874 496861781 /nfs/dbraw/zinc/86/17/81/496861781.db2.gz LOLVMIHJNRBZRA-QAPCUYQASA-N 2 2 363.502 3.078 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)c2ccc(F)cc2)C1 ZINC000195250874 496861788 /nfs/dbraw/zinc/86/17/88/496861788.db2.gz LOLVMIHJNRBZRA-QAPCUYQASA-N 2 2 363.502 3.078 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)c2ccc(F)cc2)C1 ZINC000195250874 496861793 /nfs/dbraw/zinc/86/17/93/496861793.db2.gz LOLVMIHJNRBZRA-QAPCUYQASA-N 2 2 363.502 3.078 10 0 FGAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](C[C@](C)(O)c2ccccc2)C1 ZINC000195266063 496869143 /nfs/dbraw/zinc/86/91/43/496869143.db2.gz AWNRCBSFGCJXOZ-PXNSSMCTSA-N 2 2 359.539 3.113 10 0 FGAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](C[C@](C)(O)c2ccccc2)C1 ZINC000195266063 496869145 /nfs/dbraw/zinc/86/91/45/496869145.db2.gz AWNRCBSFGCJXOZ-PXNSSMCTSA-N 2 2 359.539 3.113 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](C[C@](C)(O)c2ccccc2)C1 ZINC000195266063 496869149 /nfs/dbraw/zinc/86/91/49/496869149.db2.gz AWNRCBSFGCJXOZ-PXNSSMCTSA-N 2 2 359.539 3.113 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](C[C@](C)(O)c2ccccc2)C1 ZINC000195266063 496869153 /nfs/dbraw/zinc/86/91/53/496869153.db2.gz AWNRCBSFGCJXOZ-PXNSSMCTSA-N 2 2 359.539 3.113 10 0 FGAELP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195286144 496875864 /nfs/dbraw/zinc/87/58/64/496875864.db2.gz VGMOBADGRKBINC-RCLSDMTESA-N 2 2 372.557 3.013 10 0 FGAELP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195286144 496875869 /nfs/dbraw/zinc/87/58/69/496875869.db2.gz VGMOBADGRKBINC-RCLSDMTESA-N 2 2 372.557 3.013 10 0 FGAELP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195286144 496875873 /nfs/dbraw/zinc/87/58/73/496875873.db2.gz VGMOBADGRKBINC-RCLSDMTESA-N 2 2 372.557 3.013 10 0 FGAELP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195286144 496875879 /nfs/dbraw/zinc/87/58/79/496875879.db2.gz VGMOBADGRKBINC-RCLSDMTESA-N 2 2 372.557 3.013 10 0 FGAELP Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248398682 496996203 /nfs/dbraw/zinc/99/62/03/496996203.db2.gz JDUWSTDCQXFEPZ-NCYKPQTJSA-N 2 2 365.525 3.312 10 0 FGAELP Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248398682 496996206 /nfs/dbraw/zinc/99/62/06/496996206.db2.gz JDUWSTDCQXFEPZ-NCYKPQTJSA-N 2 2 365.525 3.312 10 0 FGAELP C[C@@H]1C[C@H](C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)CC(C)(C)C1 ZINC000248536976 497032741 /nfs/dbraw/zinc/03/27/41/497032741.db2.gz HCIPQHLQTAMSMV-SFDMMAKQSA-N 2 2 361.574 3.218 10 0 FGAELP C[C@@H]1C[C@H](C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CC(C)(C)C1 ZINC000248536976 497032745 /nfs/dbraw/zinc/03/27/45/497032745.db2.gz HCIPQHLQTAMSMV-SFDMMAKQSA-N 2 2 361.574 3.218 10 0 FGAELP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248659497 497074874 /nfs/dbraw/zinc/07/48/74/497074874.db2.gz VGMOBADGRKBINC-HDAAZOAOSA-N 2 2 372.557 3.013 10 0 FGAELP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248659497 497074877 /nfs/dbraw/zinc/07/48/77/497074877.db2.gz VGMOBADGRKBINC-HDAAZOAOSA-N 2 2 372.557 3.013 10 0 FGAELP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248659497 497074879 /nfs/dbraw/zinc/07/48/79/497074879.db2.gz VGMOBADGRKBINC-HDAAZOAOSA-N 2 2 372.557 3.013 10 0 FGAELP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248659497 497074882 /nfs/dbraw/zinc/07/48/82/497074882.db2.gz VGMOBADGRKBINC-HDAAZOAOSA-N 2 2 372.557 3.013 10 0 FGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)c2ccc(I)cc2)C1 ZINC000250250216 497264220 /nfs/dbraw/zinc/26/42/20/497264220.db2.gz IMCQCUDQGWXTBO-DOMZBBRYSA-N 2 2 358.267 3.426 10 0 FGAELP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)c2ccc(I)cc2)C1 ZINC000250250216 497264223 /nfs/dbraw/zinc/26/42/23/497264223.db2.gz IMCQCUDQGWXTBO-DOMZBBRYSA-N 2 2 358.267 3.426 10 0 FGAELP Cc1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000189912836 497290842 /nfs/dbraw/zinc/29/08/42/497290842.db2.gz DWESYAOXTLBGHD-XLIONFOSSA-N 2 2 351.450 3.271 10 0 FGAELP CC(C)[C@H](NC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)c1ccccc1 ZINC000261863041 497464293 /nfs/dbraw/zinc/46/42/93/497464293.db2.gz WQOMVTIZUNHSSJ-GIWBLDEGSA-N 2 2 365.521 3.174 10 0 FGAELP CC(C)[C@H](NC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)c1ccccc1 ZINC000261863041 497464296 /nfs/dbraw/zinc/46/42/96/497464296.db2.gz WQOMVTIZUNHSSJ-GIWBLDEGSA-N 2 2 365.521 3.174 10 0 FGAELP CCCc1ccc(C(=O)N(Cc2[nH+]ccn2C)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000261947310 497480957 /nfs/dbraw/zinc/48/09/57/497480957.db2.gz YMZDIYVDLGKRDK-IBGZPJMESA-N 2 2 366.509 3.157 10 0 FGAELP CC(=O)Nc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3scnc3C)C2)cc1 ZINC000190468239 497491850 /nfs/dbraw/zinc/49/18/50/497491850.db2.gz ZTUPYRRILGRJDR-GOSISDBHSA-N 2 2 372.538 3.364 10 0 FGAELP CC(=O)Nc1ccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3scnc3C)C2)cc1 ZINC000190468239 497491858 /nfs/dbraw/zinc/49/18/58/497491858.db2.gz ZTUPYRRILGRJDR-GOSISDBHSA-N 2 2 372.538 3.364 10 0 FGAELP CC(=O)Nc1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3scnc3C)C2)cc1 ZINC000190468239 497491862 /nfs/dbraw/zinc/49/18/62/497491862.db2.gz ZTUPYRRILGRJDR-GOSISDBHSA-N 2 2 372.538 3.364 10 0 FGAELP CC(=O)Nc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3scnc3C)C2)cc1 ZINC000190468239 497491866 /nfs/dbraw/zinc/49/18/66/497491866.db2.gz ZTUPYRRILGRJDR-GOSISDBHSA-N 2 2 372.538 3.364 10 0 FGAELP COc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)cc1OC ZINC000190478689 497497510 /nfs/dbraw/zinc/49/75/10/497497510.db2.gz QWCHLPIBRPEFPE-IBGZPJMESA-N 2 2 355.482 3.053 10 0 FGAELP COc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)cc1OC ZINC000190478689 497497512 /nfs/dbraw/zinc/49/75/12/497497512.db2.gz QWCHLPIBRPEFPE-IBGZPJMESA-N 2 2 355.482 3.053 10 0 FGAELP COc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)cc1OC ZINC000190478689 497497516 /nfs/dbraw/zinc/49/75/16/497497516.db2.gz QWCHLPIBRPEFPE-IBGZPJMESA-N 2 2 355.482 3.053 10 0 FGAELP COc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)cc1OC ZINC000190478689 497497519 /nfs/dbraw/zinc/49/75/19/497497519.db2.gz QWCHLPIBRPEFPE-IBGZPJMESA-N 2 2 355.482 3.053 10 0 FGAELP C[C@@H](NC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)c1ccccc1Cl ZINC000262295899 497535388 /nfs/dbraw/zinc/53/53/88/497535388.db2.gz WRTHTTNVMKZSPW-SUMDDJOVSA-N 2 2 371.912 3.192 10 0 FGAELP C[C@@H](NC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)c1ccccc1Cl ZINC000262295899 497535392 /nfs/dbraw/zinc/53/53/92/497535392.db2.gz WRTHTTNVMKZSPW-SUMDDJOVSA-N 2 2 371.912 3.192 10 0 FGAELP CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1C ZINC000245958438 497583909 /nfs/dbraw/zinc/58/39/09/497583909.db2.gz RLEMCRLIQGQVGB-PBHICJAKSA-N 2 2 356.470 3.075 10 0 FGAELP CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1C ZINC000245958438 497583915 /nfs/dbraw/zinc/58/39/15/497583915.db2.gz RLEMCRLIQGQVGB-PBHICJAKSA-N 2 2 356.470 3.075 10 0 FGAELP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246192519 497655200 /nfs/dbraw/zinc/65/52/00/497655200.db2.gz WPWXVAPVUNJWGP-CABCVRRESA-N 2 2 358.873 3.496 10 0 FGAELP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246192519 497655203 /nfs/dbraw/zinc/65/52/03/497655203.db2.gz WPWXVAPVUNJWGP-CABCVRRESA-N 2 2 358.873 3.496 10 0 FGAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H]2CCSc3ccc(F)cc32)nc[nH+]1 ZINC000246393350 497719282 /nfs/dbraw/zinc/71/92/82/497719282.db2.gz LCVJXCCMHFJAFZ-ZBFHGGJFSA-N 2 2 373.501 3.453 10 0 FGAELP CC(C)[N@@H+]1C[C@@H](C)[C@H]([NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)C1 ZINC000246523025 497762595 /nfs/dbraw/zinc/76/25/95/497762595.db2.gz UVJSSRNWBLOFJW-DNVCBOLYSA-N 2 2 363.933 3.263 10 0 FGAELP CC(C)[N@H+]1C[C@@H](C)[C@H]([NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)C1 ZINC000246523025 497762598 /nfs/dbraw/zinc/76/25/98/497762598.db2.gz UVJSSRNWBLOFJW-DNVCBOLYSA-N 2 2 363.933 3.263 10 0 FGAELP C[C@@H](C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)[NH+]1CCCCC1 ZINC000380410383 713976724 /nfs/dbraw/zinc/97/67/24/713976724.db2.gz ZDTXIXWZAZAOOL-BZSNNMDCSA-N 2 2 353.551 3.486 10 0 FGAELP COCC[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cc4c(cc3Cl)OCO4)C2)C1 ZINC000012708881 220019279 /nfs/dbraw/zinc/01/92/79/220019279.db2.gz GYYYVSXPYBBSAA-LJQANCHMSA-N 2 2 366.889 3.003 10 0 FGAELP COCC[N@H+]1CCC[C@@]2(CC[NH+](Cc3cc4c(cc3Cl)OCO4)C2)C1 ZINC000012708881 220019282 /nfs/dbraw/zinc/01/92/82/220019282.db2.gz GYYYVSXPYBBSAA-LJQANCHMSA-N 2 2 366.889 3.003 10 0 FGAELP COCC[NH+]1CCC[C@@]2(CC[N@H+](Cc3cc4c(cc3Cl)OCO4)C2)C1 ZINC000012708881 220019284 /nfs/dbraw/zinc/01/92/84/220019284.db2.gz GYYYVSXPYBBSAA-LJQANCHMSA-N 2 2 366.889 3.003 10 0 FGAELP COCC[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cc4c(cc3Cl)OCO4)C2)C1 ZINC000012708881 220019288 /nfs/dbraw/zinc/01/92/88/220019288.db2.gz GYYYVSXPYBBSAA-LJQANCHMSA-N 2 2 366.889 3.003 10 0 FGAELP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1nnc2n1CCCC2 ZINC000249037899 257371139 /nfs/dbraw/zinc/37/11/39/257371139.db2.gz TWZWGQFRQRZRFJ-RSPOEFSDSA-N 2 2 365.525 3.461 10 0 FGAELP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1nnc2n1CCCC2 ZINC000249037899 257371140 /nfs/dbraw/zinc/37/11/40/257371140.db2.gz TWZWGQFRQRZRFJ-RSPOEFSDSA-N 2 2 365.525 3.461 10 0 FGAELP CCC[NH+]1CCC(CNC(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000073952914 494456123 /nfs/dbraw/zinc/45/61/23/494456123.db2.gz IOLCCNNDPHYAEB-QGZVFWFLSA-N 2 2 369.513 3.355 10 0 FGAELP COCOc1ccc(OC)cc1C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000092812815 494757856 /nfs/dbraw/zinc/75/78/56/494757856.db2.gz DGNMOEJTUPJVNZ-MRXNPFEDSA-N 2 2 357.454 3.007 10 0 FGAELP COCOc1ccc(OC)cc1C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000092812815 494757863 /nfs/dbraw/zinc/75/78/63/494757863.db2.gz DGNMOEJTUPJVNZ-MRXNPFEDSA-N 2 2 357.454 3.007 10 0 FGAELP Cc1cnn(C[C@@H]2C[NH+](CC(C)(C)C[N@H+](C)Cc3ccccc3)CCO2)c1 ZINC000122450963 494977818 /nfs/dbraw/zinc/97/78/18/494977818.db2.gz WMZOIQMDRLDJEN-NRFANRHFSA-N 2 2 370.541 3.051 10 0 FGAELP Cc1cnn(C[C@@H]2C[NH+](CC(C)(C)C[N@@H+](C)Cc3ccccc3)CCO2)c1 ZINC000122450963 494977821 /nfs/dbraw/zinc/97/78/21/494977821.db2.gz WMZOIQMDRLDJEN-NRFANRHFSA-N 2 2 370.541 3.051 10 0 FGAELP Cc1cnn(C[C@@H]2C[N@H+](CC(C)(C)C[NH+](C)Cc3ccccc3)CCO2)c1 ZINC000122450963 494977826 /nfs/dbraw/zinc/97/78/26/494977826.db2.gz WMZOIQMDRLDJEN-NRFANRHFSA-N 2 2 370.541 3.051 10 0 FGAELP Cc1cnn(C[C@@H]2C[N@@H+](CC(C)(C)C[NH+](C)Cc3ccccc3)CCO2)c1 ZINC000122450963 494977829 /nfs/dbraw/zinc/97/78/29/494977829.db2.gz WMZOIQMDRLDJEN-NRFANRHFSA-N 2 2 370.541 3.051 10 0 FGAELP Cc1ccc(OCCC[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1C ZINC000106129016 495418280 /nfs/dbraw/zinc/41/82/80/495418280.db2.gz PYWDOLCYHTYFIE-UHFFFAOYSA-N 2 2 370.541 3.365 10 0 FGAELP Cc1ccc(OCCC[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1C ZINC000106129016 495418284 /nfs/dbraw/zinc/41/82/84/495418284.db2.gz PYWDOLCYHTYFIE-UHFFFAOYSA-N 2 2 370.541 3.365 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N(Cc2ccc(C)o2)C2CC2)C1 ZINC000106212960 495432775 /nfs/dbraw/zinc/43/27/75/495432775.db2.gz SHHOVKLMCDKPSB-GOSISDBHSA-N 2 2 370.497 3.175 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N(Cc2ccc(C)o2)C2CC2)C1 ZINC000106212960 495432779 /nfs/dbraw/zinc/43/27/79/495432779.db2.gz SHHOVKLMCDKPSB-GOSISDBHSA-N 2 2 370.497 3.175 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2nnc(-c3ccccc3)n2C)C1 ZINC000106212366 495432985 /nfs/dbraw/zinc/43/29/85/495432985.db2.gz BDPZTQNAAMQZQY-KRWDZBQOSA-N 2 2 350.470 3.078 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2nnc(-c3ccccc3)n2C)C1 ZINC000106212366 495432991 /nfs/dbraw/zinc/43/29/91/495432991.db2.gz BDPZTQNAAMQZQY-KRWDZBQOSA-N 2 2 350.470 3.078 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2nc(Cc3ccccc3)no2)C1 ZINC000106213272 495433360 /nfs/dbraw/zinc/43/33/60/495433360.db2.gz PSORBTXMRLZIDT-QGZVFWFLSA-N 2 2 351.454 3.256 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2nc(Cc3ccccc3)no2)C1 ZINC000106213272 495433362 /nfs/dbraw/zinc/43/33/62/495433362.db2.gz PSORBTXMRLZIDT-QGZVFWFLSA-N 2 2 351.454 3.256 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCC(=O)NCc2ccccc2Cl)C1 ZINC000106214444 495433672 /nfs/dbraw/zinc/43/36/72/495433672.db2.gz YSKLMBXMZPDYBB-KRWDZBQOSA-N 2 2 374.916 3.442 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCC(=O)NCc2ccccc2Cl)C1 ZINC000106214444 495433676 /nfs/dbraw/zinc/43/36/76/495433676.db2.gz YSKLMBXMZPDYBB-KRWDZBQOSA-N 2 2 374.916 3.442 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)Nc2cc(C)ccc2OC)C1 ZINC000106216802 495434996 /nfs/dbraw/zinc/43/49/96/495434996.db2.gz HUKUQHJFXZCGSG-MRXNPFEDSA-N 2 2 356.470 3.038 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(C)ccc2OC)C1 ZINC000106216802 495434997 /nfs/dbraw/zinc/43/49/97/495434997.db2.gz HUKUQHJFXZCGSG-MRXNPFEDSA-N 2 2 356.470 3.038 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cc(=O)oc3cc(OC)ccc23)C1 ZINC000106217226 495435071 /nfs/dbraw/zinc/43/50/71/495435071.db2.gz FDGWWSZEZJNBKZ-MRXNPFEDSA-N 2 2 367.449 3.398 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cc(=O)oc3cc(OC)ccc23)C1 ZINC000106217226 495435077 /nfs/dbraw/zinc/43/50/77/495435077.db2.gz FDGWWSZEZJNBKZ-MRXNPFEDSA-N 2 2 367.449 3.398 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)N2CCCc3ccccc32)C1 ZINC000106216663 495435149 /nfs/dbraw/zinc/43/51/49/495435149.db2.gz HMWSZOLIELPKSI-SFHVURJKSA-N 2 2 352.482 3.062 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)N2CCCc3ccccc32)C1 ZINC000106216663 495435152 /nfs/dbraw/zinc/43/51/52/495435152.db2.gz HMWSZOLIELPKSI-SFHVURJKSA-N 2 2 352.482 3.062 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)NCc2cccc(Cl)c2)C1 ZINC000106216254 495435337 /nfs/dbraw/zinc/43/53/37/495435337.db2.gz GVSJBIOZFIGPGS-QGZVFWFLSA-N 2 2 360.889 3.052 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)NCc2cccc(Cl)c2)C1 ZINC000106216254 495435341 /nfs/dbraw/zinc/43/53/41/495435341.db2.gz GVSJBIOZFIGPGS-QGZVFWFLSA-N 2 2 360.889 3.052 10 0 FGAELP CCN(C(=O)[C@H](C)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)C1CCCCC1 ZINC000151098348 495736979 /nfs/dbraw/zinc/73/69/79/495736979.db2.gz SZRXYNVIJRTCRC-ZWKOTPCHSA-N 2 2 358.530 3.385 10 0 FGAELP CCN(C(=O)[C@H](C)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)C1CCCCC1 ZINC000151098348 495736981 /nfs/dbraw/zinc/73/69/81/495736981.db2.gz SZRXYNVIJRTCRC-ZWKOTPCHSA-N 2 2 358.530 3.385 10 0 FGAELP COc1cc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)ccc1OC(=O)C1CC1 ZINC000180126022 495868545 /nfs/dbraw/zinc/86/85/45/495868545.db2.gz QLRGPPZHVDNVFX-SFHVURJKSA-N 2 2 369.465 3.180 10 0 FGAELP COc1cc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)ccc1OC(=O)C1CC1 ZINC000180126022 495868548 /nfs/dbraw/zinc/86/85/48/495868548.db2.gz QLRGPPZHVDNVFX-SFHVURJKSA-N 2 2 369.465 3.180 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cc(O)ccc1Br ZINC000180130561 495872116 /nfs/dbraw/zinc/87/21/16/495872116.db2.gz ROYVCBCNFLXUFY-AWEZNQCLSA-N 2 2 350.260 3.324 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cc(O)ccc1Br ZINC000180130561 495872118 /nfs/dbraw/zinc/87/21/18/495872118.db2.gz ROYVCBCNFLXUFY-AWEZNQCLSA-N 2 2 350.260 3.324 10 0 FGAELP CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171643016 495962110 /nfs/dbraw/zinc/96/21/10/495962110.db2.gz VPTVFOUXMJYDMZ-DLBZAZTESA-N 2 2 352.482 3.405 10 0 FGAELP CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171643016 495962117 /nfs/dbraw/zinc/96/21/17/495962117.db2.gz VPTVFOUXMJYDMZ-DLBZAZTESA-N 2 2 352.482 3.405 10 0 FGAELP CC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000171647208 495966265 /nfs/dbraw/zinc/96/62/65/495966265.db2.gz LCAPBSSTBYNAPQ-DOTOQJQBSA-N 2 2 366.465 3.045 10 0 FGAELP CC(=O)c1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000171647208 495966272 /nfs/dbraw/zinc/96/62/72/495966272.db2.gz LCAPBSSTBYNAPQ-DOTOQJQBSA-N 2 2 366.465 3.045 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3nc(Cc4ccccc4)no3)C2)[nH+]1 ZINC000171649393 495968794 /nfs/dbraw/zinc/96/87/94/495968794.db2.gz DXLYWFIRSRQRTP-SFHVURJKSA-N 2 2 363.465 3.298 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3nc(Cc4ccccc4)no3)C2)[nH+]1 ZINC000171649393 495968803 /nfs/dbraw/zinc/96/88/03/495968803.db2.gz DXLYWFIRSRQRTP-SFHVURJKSA-N 2 2 363.465 3.298 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)NCc3cccc(Cl)c3)C2)[nH+]1 ZINC000171652929 495972175 /nfs/dbraw/zinc/97/21/75/495972175.db2.gz GMKOTCWVKIENIQ-QGZVFWFLSA-N 2 2 372.900 3.094 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)NCc3cccc(Cl)c3)C2)[nH+]1 ZINC000171652929 495972180 /nfs/dbraw/zinc/97/21/80/495972180.db2.gz GMKOTCWVKIENIQ-QGZVFWFLSA-N 2 2 372.900 3.094 10 0 FGAELP Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)c(C)c1 ZINC000171653158 495972964 /nfs/dbraw/zinc/97/29/64/495972964.db2.gz HQKBLHIPPBPTJW-GOSISDBHSA-N 2 2 352.482 3.379 10 0 FGAELP Cc1ccc(NC(=O)C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)c(C)c1 ZINC000171653158 495972967 /nfs/dbraw/zinc/97/29/67/495972967.db2.gz HQKBLHIPPBPTJW-GOSISDBHSA-N 2 2 352.482 3.379 10 0 FGAELP C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cn1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180658222 496091113 /nfs/dbraw/zinc/09/11/13/496091113.db2.gz LVUGCRXXSUFKDB-ZDUSSCGKSA-N 2 2 355.829 3.210 10 0 FGAELP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000177557715 496111119 /nfs/dbraw/zinc/11/11/19/496111119.db2.gz ODFHBAFHQUHQMD-QFBILLFUSA-N 2 2 355.486 3.059 10 0 FGAELP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000177557715 496111127 /nfs/dbraw/zinc/11/11/27/496111127.db2.gz ODFHBAFHQUHQMD-QFBILLFUSA-N 2 2 355.486 3.059 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1nc(CCc2ccccc2)no1 ZINC000178308574 496407978 /nfs/dbraw/zinc/40/79/78/496407978.db2.gz NOTXZCILBPYXOQ-GOSISDBHSA-N 2 2 351.454 3.024 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1nc(CCc2ccccc2)no1 ZINC000178308574 496407983 /nfs/dbraw/zinc/40/79/83/496407983.db2.gz NOTXZCILBPYXOQ-GOSISDBHSA-N 2 2 351.454 3.024 10 0 FGAELP Fc1cccc(F)c1-n1ccc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)n1 ZINC000154045547 496666997 /nfs/dbraw/zinc/66/69/97/496666997.db2.gz ZUZBAZMDTZLFSK-OAHLLOKOSA-N 2 2 369.419 3.480 10 0 FGAELP Fc1cccc(F)c1-n1ccc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)n1 ZINC000154045547 496667001 /nfs/dbraw/zinc/66/70/01/496667001.db2.gz ZUZBAZMDTZLFSK-OAHLLOKOSA-N 2 2 369.419 3.480 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@@H](O)COc1cccc2ccccc21 ZINC000247052128 496764008 /nfs/dbraw/zinc/76/40/08/496764008.db2.gz NOFZDSRLCXKSCJ-WOJBJXKFSA-N 2 2 365.477 3.249 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@@H](O)COc1cccc2ccccc21 ZINC000247052128 496764013 /nfs/dbraw/zinc/76/40/13/496764013.db2.gz NOFZDSRLCXKSCJ-WOJBJXKFSA-N 2 2 365.477 3.249 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NCc2ccccc2C)C1 ZINC000247594656 496893858 /nfs/dbraw/zinc/89/38/58/496893858.db2.gz JZXJEFJHWXNSCQ-IEBWSBKVSA-N 2 2 354.498 3.096 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)NCc2ccccc2C)C1 ZINC000247594656 496893863 /nfs/dbraw/zinc/89/38/63/496893863.db2.gz JZXJEFJHWXNSCQ-IEBWSBKVSA-N 2 2 354.498 3.096 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc(C(C)=O)c2)C1 ZINC000247816633 496918837 /nfs/dbraw/zinc/91/88/37/496918837.db2.gz WKIJKFVTHLBPDJ-BEFAXECRSA-N 2 2 368.481 3.312 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc(C(C)=O)c2)C1 ZINC000247816633 496918841 /nfs/dbraw/zinc/91/88/41/496918841.db2.gz WKIJKFVTHLBPDJ-BEFAXECRSA-N 2 2 368.481 3.312 10 0 FGAELP Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248398680 496995346 /nfs/dbraw/zinc/99/53/46/496995346.db2.gz JDUWSTDCQXFEPZ-BQJUDKOJSA-N 2 2 365.525 3.312 10 0 FGAELP Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248398680 496995351 /nfs/dbraw/zinc/99/53/51/496995351.db2.gz JDUWSTDCQXFEPZ-BQJUDKOJSA-N 2 2 365.525 3.312 10 0 FGAELP CC[N@H+](CC(=O)OC(C)(C)C)C1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000192240643 497044805 /nfs/dbraw/zinc/04/48/05/497044805.db2.gz VDDOUXKXKDRDQM-UHFFFAOYSA-N 2 2 353.894 3.367 10 0 FGAELP CC[N@@H+](CC(=O)OC(C)(C)C)C1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000192240643 497044811 /nfs/dbraw/zinc/04/48/11/497044811.db2.gz VDDOUXKXKDRDQM-UHFFFAOYSA-N 2 2 353.894 3.367 10 0 FGAELP Cc1ncsc1C[N@H+](C)C[C@H]1CCN(c2cc(NCC3CC3)[nH+]cn2)C1 ZINC000192791064 497215185 /nfs/dbraw/zinc/21/51/85/497215185.db2.gz RZFPWIUBUIWXPQ-MRXNPFEDSA-N 2 2 372.542 3.022 10 0 FGAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(c2cc(NCC3CC3)[nH+]cn2)C1 ZINC000192791064 497215187 /nfs/dbraw/zinc/21/51/87/497215187.db2.gz RZFPWIUBUIWXPQ-MRXNPFEDSA-N 2 2 372.542 3.022 10 0 FGAELP Cc1ncsc1C[N@H+](C)C[C@H]1CCN(c2cc(NCC3CC3)nc[nH+]2)C1 ZINC000192791064 497215192 /nfs/dbraw/zinc/21/51/92/497215192.db2.gz RZFPWIUBUIWXPQ-MRXNPFEDSA-N 2 2 372.542 3.022 10 0 FGAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(c2cc(NCC3CC3)nc[nH+]2)C1 ZINC000192791064 497215194 /nfs/dbraw/zinc/21/51/94/497215194.db2.gz RZFPWIUBUIWXPQ-MRXNPFEDSA-N 2 2 372.542 3.022 10 0 FGAELP C[C@@H]([NH2+]C[C@H](O)COc1ccccc1F)c1cccc(-n2cc[nH+]c2)c1 ZINC000189888033 497281101 /nfs/dbraw/zinc/28/11/01/497281101.db2.gz VRUQBVMURFRLIU-QAPCUYQASA-N 2 2 355.413 3.102 10 0 FGAELP C[C@@H]1CCC[C@@H]([N@H+](Cc2noc(C[NH3+])n2)Cc2ccc3c(c2)OCO3)[C@H]1C ZINC000261645344 497425622 /nfs/dbraw/zinc/42/56/22/497425622.db2.gz FXPDJTGZVQMGRB-IJEWVQPXSA-N 2 2 372.469 3.084 10 0 FGAELP C[C@@H]1CCC[C@@H]([N@@H+](Cc2noc(C[NH3+])n2)Cc2ccc3c(c2)OCO3)[C@H]1C ZINC000261645344 497425624 /nfs/dbraw/zinc/42/56/24/497425624.db2.gz FXPDJTGZVQMGRB-IJEWVQPXSA-N 2 2 372.469 3.084 10 0 FGAELP CC(C)[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)C[C@@H]1CCC[NH2+]C1 ZINC000261922890 497475683 /nfs/dbraw/zinc/47/56/83/497475683.db2.gz KRIYNRNFUSDRLM-CQSZACIVSA-N 2 2 357.420 3.354 10 0 FGAELP CC(C)[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)C[C@@H]1CCC[NH2+]C1 ZINC000261922890 497475689 /nfs/dbraw/zinc/47/56/89/497475689.db2.gz KRIYNRNFUSDRLM-CQSZACIVSA-N 2 2 357.420 3.354 10 0 FGAELP COC(=O)c1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3scnc3C)C2)cc1 ZINC000190470307 497492411 /nfs/dbraw/zinc/49/24/11/497492411.db2.gz TUOPMWOAHLXYNX-QGZVFWFLSA-N 2 2 373.522 3.192 10 0 FGAELP COC(=O)c1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3scnc3C)C2)cc1 ZINC000190470307 497492416 /nfs/dbraw/zinc/49/24/16/497492416.db2.gz TUOPMWOAHLXYNX-QGZVFWFLSA-N 2 2 373.522 3.192 10 0 FGAELP COC(=O)c1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3scnc3C)C2)cc1 ZINC000190470307 497492428 /nfs/dbraw/zinc/49/24/28/497492428.db2.gz TUOPMWOAHLXYNX-QGZVFWFLSA-N 2 2 373.522 3.192 10 0 FGAELP Cc1ccc(-c2n[nH]cc2C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)o1 ZINC000190487342 497500671 /nfs/dbraw/zinc/50/06/71/497500671.db2.gz XLKNPVPTFJNWPO-SFHVURJKSA-N 2 2 365.481 3.327 10 0 FGAELP Cc1ccc(-c2n[nH]cc2C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)o1 ZINC000190487342 497500677 /nfs/dbraw/zinc/50/06/77/497500677.db2.gz XLKNPVPTFJNWPO-SFHVURJKSA-N 2 2 365.481 3.327 10 0 FGAELP Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)o1 ZINC000190487342 497500681 /nfs/dbraw/zinc/50/06/81/497500681.db2.gz XLKNPVPTFJNWPO-SFHVURJKSA-N 2 2 365.481 3.327 10 0 FGAELP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)o1 ZINC000190487342 497500686 /nfs/dbraw/zinc/50/06/86/497500686.db2.gz XLKNPVPTFJNWPO-SFHVURJKSA-N 2 2 365.481 3.327 10 0 FGAELP Cn1cc[nH+]c1CN(Cc1cc(F)ccc1Cl)[C@H]1CC12CC[NH2+]CC2 ZINC000262185843 497521401 /nfs/dbraw/zinc/52/14/01/497521401.db2.gz XRMBWLBBGYVKIF-KRWDZBQOSA-N 2 2 362.880 3.357 10 0 FGAELP C[C@H](NC(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)c1ccc(Cl)cc1 ZINC000246077344 497613200 /nfs/dbraw/zinc/61/32/00/497613200.db2.gz CUSCFOYDIUKCAV-HOTGVXAUSA-N 2 2 372.900 3.346 10 0 FGAELP C[C@H](NC(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)c1ccc(Cl)cc1 ZINC000246077344 497613205 /nfs/dbraw/zinc/61/32/05/497613205.db2.gz CUSCFOYDIUKCAV-HOTGVXAUSA-N 2 2 372.900 3.346 10 0 FGAELP Cc1nc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)sc1C ZINC000246135617 497633837 /nfs/dbraw/zinc/63/38/37/497633837.db2.gz MYUQURXBMNPBCM-ZBFHGGJFSA-N 2 2 373.526 3.224 10 0 FGAELP Cc1nc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)sc1C ZINC000246135617 497633842 /nfs/dbraw/zinc/63/38/42/497633842.db2.gz MYUQURXBMNPBCM-ZBFHGGJFSA-N 2 2 373.526 3.224 10 0 FGAELP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cc(Br)cc(Br)c1 ZINC000394531292 499561941 /nfs/dbraw/zinc/56/19/41/499561941.db2.gz OOAQIHSGVOEQSM-CYBMUJFWSA-N 2 2 362.109 3.395 10 0 FGAELP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1cc(Br)cc(Br)c1 ZINC000394531292 499561943 /nfs/dbraw/zinc/56/19/43/499561943.db2.gz OOAQIHSGVOEQSM-CYBMUJFWSA-N 2 2 362.109 3.395 10 0 FGAELP C[NH+](C)CCn1cc[nH+]c1[C@H]1CCCN(c2cc(C(F)(F)F)ccn2)C1 ZINC000095365809 535936943 /nfs/dbraw/zinc/93/69/43/535936943.db2.gz DJBMXBLXGCDFMH-AWEZNQCLSA-N 2 2 367.419 3.243 10 0 FGAELP COc1ccc2c(c1)C[C@H]([NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)CC2 ZINC000328625170 223120443 /nfs/dbraw/zinc/12/04/43/223120443.db2.gz CWCDQBYDRVEQCR-DWLFOUALSA-N 2 2 351.494 3.230 10 0 FGAELP COc1ccc2c(c1)C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)CC2 ZINC000328625170 223120445 /nfs/dbraw/zinc/12/04/45/223120445.db2.gz CWCDQBYDRVEQCR-DWLFOUALSA-N 2 2 351.494 3.230 10 0 FGAELP C/C=C(\C)C[NH+]1CCOc2ccc(C[N@H+]3CCCC[C@@H]3C(=O)OC)cc2C1 ZINC000014994100 220140546 /nfs/dbraw/zinc/14/05/46/220140546.db2.gz YSOSCPZIGRWHAB-XPBVWTEKSA-N 2 2 372.509 3.375 10 0 FGAELP C/C=C(\C)C[NH+]1CCOc2ccc(C[N@@H+]3CCCC[C@@H]3C(=O)OC)cc2C1 ZINC000014994100 220140550 /nfs/dbraw/zinc/14/05/50/220140550.db2.gz YSOSCPZIGRWHAB-XPBVWTEKSA-N 2 2 372.509 3.375 10 0 FGAELP C/C=C(\C)C[N@H+]1CCOc2ccc(C[NH+]3CCCC[C@@H]3C(=O)OC)cc2C1 ZINC000014994100 220140551 /nfs/dbraw/zinc/14/05/51/220140551.db2.gz YSOSCPZIGRWHAB-XPBVWTEKSA-N 2 2 372.509 3.375 10 0 FGAELP C/C=C(\C)C[N@@H+]1CCOc2ccc(C[NH+]3CCCC[C@@H]3C(=O)OC)cc2C1 ZINC000014994100 220140553 /nfs/dbraw/zinc/14/05/53/220140553.db2.gz YSOSCPZIGRWHAB-XPBVWTEKSA-N 2 2 372.509 3.375 10 0 FGAELP C[C@H](NC(=O)NCCC[NH+]1CCCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000073536406 494385392 /nfs/dbraw/zinc/38/53/92/494385392.db2.gz GJFOAXKSWXVJOO-KRWDZBQOSA-N 2 2 355.486 3.109 10 0 FGAELP C[N@H+](Cc1cccc2c1OC(C)(C)C2)C1CC[NH+](CCn2cccn2)CC1 ZINC000121206925 494645586 /nfs/dbraw/zinc/64/55/86/494645586.db2.gz RDCZZZTVERSLLX-UHFFFAOYSA-N 2 2 368.525 3.193 10 0 FGAELP C[N@@H+](Cc1cccc2c1OC(C)(C)C2)C1CC[NH+](CCn2cccn2)CC1 ZINC000121206925 494645591 /nfs/dbraw/zinc/64/55/91/494645591.db2.gz RDCZZZTVERSLLX-UHFFFAOYSA-N 2 2 368.525 3.193 10 0 FGAELP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(Br)cc1F ZINC000126141341 494651113 /nfs/dbraw/zinc/65/11/13/494651113.db2.gz LZWDRZFWQNMAPN-JSGCOSHPSA-N 2 2 359.283 3.086 10 0 FGAELP Fc1ccc(-n2cc(C[N@@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)cn2)cc1 ZINC000092812949 494758572 /nfs/dbraw/zinc/75/85/72/494758572.db2.gz YECMMNMSVYGZIW-INIZCTEOSA-N 2 2 351.429 3.340 10 0 FGAELP Fc1ccc(-n2cc(C[N@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)cn2)cc1 ZINC000092812949 494758581 /nfs/dbraw/zinc/75/85/81/494758581.db2.gz YECMMNMSVYGZIW-INIZCTEOSA-N 2 2 351.429 3.340 10 0 FGAELP COc1ccc([C@H]([NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)C2CC2)cc1 ZINC000098144153 495061846 /nfs/dbraw/zinc/06/18/46/495061846.db2.gz OSCIZOHCYSZTTB-JTHBVZDNSA-N 2 2 366.505 3.155 10 0 FGAELP COc1ccc([C@H]([NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)C2CC2)cc1 ZINC000098144153 495061848 /nfs/dbraw/zinc/06/18/48/495061848.db2.gz OSCIZOHCYSZTTB-JTHBVZDNSA-N 2 2 366.505 3.155 10 0 FGAELP Cc1c([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)cnn1-c1cc(C)ccc1C ZINC000151251408 495784407 /nfs/dbraw/zinc/78/44/07/495784407.db2.gz JNOFCPYGQXXGCY-QUCCMNQESA-N 2 2 370.541 3.295 10 0 FGAELP O[C@@H](C[NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21)C[NH+]1CCCCC1 ZINC000151348610 495812187 /nfs/dbraw/zinc/81/21/87/495812187.db2.gz TVLPYKRPYBKJFY-YOEHRIQHSA-N 2 2 358.404 3.009 10 0 FGAELP COc1ccc([C@@H](C)C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1 ZINC000180095506 495855699 /nfs/dbraw/zinc/85/56/99/495855699.db2.gz RIIWDMJGMBYHDQ-SFHVURJKSA-N 2 2 356.514 3.092 10 0 FGAELP COc1ccc([C@@H](C)C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1 ZINC000180095506 495855706 /nfs/dbraw/zinc/85/57/06/495855706.db2.gz RIIWDMJGMBYHDQ-SFHVURJKSA-N 2 2 356.514 3.092 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cnc2ccc(Br)cn12 ZINC000180121277 495867608 /nfs/dbraw/zinc/86/76/08/495867608.db2.gz TYPBCGWZYDMBKM-HNNXBMFYSA-N 2 2 374.286 3.266 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cnc2ccc(Br)cn12 ZINC000180121277 495867613 /nfs/dbraw/zinc/86/76/13/495867613.db2.gz TYPBCGWZYDMBKM-HNNXBMFYSA-N 2 2 374.286 3.266 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(OC)cc2)C1 ZINC000171521561 495911559 /nfs/dbraw/zinc/91/15/59/495911559.db2.gz TVQDQYNYWAZUPG-QGZVFWFLSA-N 2 2 356.470 3.120 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(OC)cc2)C1 ZINC000171521561 495911566 /nfs/dbraw/zinc/91/15/66/495911566.db2.gz TVQDQYNYWAZUPG-QGZVFWFLSA-N 2 2 356.470 3.120 10 0 FGAELP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171643057 495961943 /nfs/dbraw/zinc/96/19/43/495961943.db2.gz KNHUCKUCHFQJHM-GBESFXJTSA-N 2 2 366.509 3.390 10 0 FGAELP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171643057 495961950 /nfs/dbraw/zinc/96/19/50/495961950.db2.gz KNHUCKUCHFQJHM-GBESFXJTSA-N 2 2 366.509 3.390 10 0 FGAELP Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171642920 495962684 /nfs/dbraw/zinc/96/26/84/495962684.db2.gz WHALTMHDJUQRBA-HZPDHXFCSA-N 2 2 356.445 3.290 10 0 FGAELP Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171642920 495962687 /nfs/dbraw/zinc/96/26/87/495962687.db2.gz WHALTMHDJUQRBA-HZPDHXFCSA-N 2 2 356.445 3.290 10 0 FGAELP C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171645508 495964837 /nfs/dbraw/zinc/96/48/37/495964837.db2.gz BVUNCVKKXRAHME-SJLPKXTDSA-N 2 2 370.472 3.002 10 0 FGAELP C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171645508 495964840 /nfs/dbraw/zinc/96/48/40/495964840.db2.gz BVUNCVKKXRAHME-SJLPKXTDSA-N 2 2 370.472 3.002 10 0 FGAELP CCN(C(=O)[C@H](C)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)c1ccccc1 ZINC000171644961 495964856 /nfs/dbraw/zinc/96/48/56/495964856.db2.gz XVEBWPKYEKKMFM-ZWKOTPCHSA-N 2 2 352.482 3.257 10 0 FGAELP CCN(C(=O)[C@H](C)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)c1ccccc1 ZINC000171644961 495964858 /nfs/dbraw/zinc/96/48/58/495964858.db2.gz XVEBWPKYEKKMFM-ZWKOTPCHSA-N 2 2 352.482 3.257 10 0 FGAELP O=C(C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)Nc1ccc(F)c(Cl)c1 ZINC000171648266 495966868 /nfs/dbraw/zinc/96/68/68/495966868.db2.gz BKZATMWKYYBUFY-ZDUSSCGKSA-N 2 2 362.836 3.247 10 0 FGAELP O=C(C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)Nc1ccc(F)c(Cl)c1 ZINC000171648266 495966872 /nfs/dbraw/zinc/96/68/72/495966872.db2.gz BKZATMWKYYBUFY-ZDUSSCGKSA-N 2 2 362.836 3.247 10 0 FGAELP CCOc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000171653356 495972357 /nfs/dbraw/zinc/97/23/57/495972357.db2.gz NHGHNYWBDJUGLY-KRWDZBQOSA-N 2 2 368.481 3.161 10 0 FGAELP CCOc1ccccc1NC(=O)C[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000171653356 495972362 /nfs/dbraw/zinc/97/23/62/495972362.db2.gz NHGHNYWBDJUGLY-KRWDZBQOSA-N 2 2 368.481 3.161 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)Nc3cccc(C)c3C)C2)[nH+]1 ZINC000171653430 495974526 /nfs/dbraw/zinc/97/45/26/495974526.db2.gz FKPLXCUJZRNTHR-GOSISDBHSA-N 2 2 352.482 3.379 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)Nc3cccc(C)c3C)C2)[nH+]1 ZINC000171653430 495974529 /nfs/dbraw/zinc/97/45/29/495974529.db2.gz FKPLXCUJZRNTHR-GOSISDBHSA-N 2 2 352.482 3.379 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1nc(-c2ccco2)cs1 ZINC000152009819 496020428 /nfs/dbraw/zinc/02/04/28/496020428.db2.gz SDTATDOJRXHPHS-AWEZNQCLSA-N 2 2 371.466 3.011 10 0 FGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)Nc1nc(-c2ccco2)cs1 ZINC000152009819 496020433 /nfs/dbraw/zinc/02/04/33/496020433.db2.gz SDTATDOJRXHPHS-AWEZNQCLSA-N 2 2 371.466 3.011 10 0 FGAELP CCc1nc(C)c([C@@H](C)[NH2+]C[C@@H]2CCCN2c2cc(NC)[nH+]cn2)s1 ZINC000180565157 496046415 /nfs/dbraw/zinc/04/64/15/496046415.db2.gz HRJKPIOZUOHVND-OCCSQVGLSA-N 2 2 360.531 3.165 10 0 FGAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H]2CCCc3cc(OC)ccc32)nc[nH+]1 ZINC000180568354 496047038 /nfs/dbraw/zinc/04/70/38/496047038.db2.gz COVZJTXLYVBKHV-QFBILLFUSA-N 2 2 367.497 3.163 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccc3c(c2)CCC(=O)N3C)C1 ZINC000186949497 496225119 /nfs/dbraw/zinc/22/51/19/496225119.db2.gz AYBCPSAFEKEBCG-GOSISDBHSA-N 2 2 352.482 3.192 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CCC(=O)N3C)C1 ZINC000186949497 496225122 /nfs/dbraw/zinc/22/51/22/496225122.db2.gz AYBCPSAFEKEBCG-GOSISDBHSA-N 2 2 352.482 3.192 10 0 FGAELP CCCC[N@@H+]1CCOC[C@H]1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000184254251 496305796 /nfs/dbraw/zinc/30/57/96/496305796.db2.gz MQLRZGAJJJLANU-FQEVSTJZSA-N 2 2 359.514 3.112 10 0 FGAELP CCCC[N@H+]1CCOC[C@H]1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000184254251 496305798 /nfs/dbraw/zinc/30/57/98/496305798.db2.gz MQLRZGAJJJLANU-FQEVSTJZSA-N 2 2 359.514 3.112 10 0 FGAELP C[C@@H]1CC[C@H](NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c2ccccc21 ZINC000153080528 496346577 /nfs/dbraw/zinc/34/65/77/496346577.db2.gz OKPBTUQDGYIJNW-UTKZUKDTSA-N 2 2 372.557 3.292 10 0 FGAELP C[C@@H]1CC[C@H](NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c2ccccc21 ZINC000153080528 496346585 /nfs/dbraw/zinc/34/65/85/496346585.db2.gz OKPBTUQDGYIJNW-UTKZUKDTSA-N 2 2 372.557 3.292 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@H](O)c1ccccc1C(F)(F)F ZINC000178335535 496418170 /nfs/dbraw/zinc/41/81/70/496418170.db2.gz FHIPOKXDDFGWSZ-PBHICJAKSA-N 2 2 353.388 3.408 10 0 FGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@H](O)c1ccccc1C(F)(F)F ZINC000178335535 496418176 /nfs/dbraw/zinc/41/81/76/496418176.db2.gz FHIPOKXDDFGWSZ-PBHICJAKSA-N 2 2 353.388 3.408 10 0 FGAELP CCN(C(=O)[C@H](C)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)C1CCCCC1 ZINC000247414158 496854257 /nfs/dbraw/zinc/85/42/57/496854257.db2.gz SZRXYNVIJRTCRC-ROUUACIJSA-N 2 2 358.530 3.385 10 0 FGAELP CCN(C(=O)[C@H](C)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)C1CCCCC1 ZINC000247414158 496854261 /nfs/dbraw/zinc/85/42/61/496854261.db2.gz SZRXYNVIJRTCRC-ROUUACIJSA-N 2 2 358.530 3.385 10 0 FGAELP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248649015 497071447 /nfs/dbraw/zinc/07/14/47/497071447.db2.gz KGKXKEUVSBONAK-SESVDKBCSA-N 2 2 372.557 3.015 10 0 FGAELP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248649015 497071451 /nfs/dbraw/zinc/07/14/51/497071451.db2.gz KGKXKEUVSBONAK-SESVDKBCSA-N 2 2 372.557 3.015 10 0 FGAELP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248649015 497071464 /nfs/dbraw/zinc/07/14/64/497071464.db2.gz KGKXKEUVSBONAK-SESVDKBCSA-N 2 2 372.557 3.015 10 0 FGAELP C[C@@H](NC(=O)N(C)CC1([NH+](C)C)CCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189929758 497296776 /nfs/dbraw/zinc/29/67/76/497296776.db2.gz SBGZGNDZPDDWEE-MRXNPFEDSA-N 2 2 355.486 3.059 10 0 FGAELP Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261608256 497418865 /nfs/dbraw/zinc/41/88/65/497418865.db2.gz BOUSFZBCUQOJAS-SUMDDJOVSA-N 2 2 355.457 3.135 10 0 FGAELP Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261608256 497418871 /nfs/dbraw/zinc/41/88/71/497418871.db2.gz BOUSFZBCUQOJAS-SUMDDJOVSA-N 2 2 355.457 3.135 10 0 FGAELP CCn1ccnc1C[N@H+](Cc1cc(F)ccc1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000261640732 497426563 /nfs/dbraw/zinc/42/65/63/497426563.db2.gz DKTUKUVKDTTYKI-LJQANCHMSA-N 2 2 356.489 3.495 10 0 FGAELP CCn1ccnc1C[N@@H+](Cc1cc(F)ccc1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000261640732 497426565 /nfs/dbraw/zinc/42/65/65/497426565.db2.gz DKTUKUVKDTTYKI-LJQANCHMSA-N 2 2 356.489 3.495 10 0 FGAELP CCN(C)c1ccc(C[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cn1 ZINC000261913286 497475178 /nfs/dbraw/zinc/47/51/78/497475178.db2.gz JOQFFBHQJMWJGO-FQEVSTJZSA-N 2 2 353.514 3.077 10 0 FGAELP CCN(C)c1ccc(C[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cn1 ZINC000261913286 497475181 /nfs/dbraw/zinc/47/51/81/497475181.db2.gz JOQFFBHQJMWJGO-FQEVSTJZSA-N 2 2 353.514 3.077 10 0 FGAELP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261922378 497475950 /nfs/dbraw/zinc/47/59/50/497475950.db2.gz BUWSOWGFUISLFG-PIGZYNQJSA-N 2 2 363.303 3.031 10 0 FGAELP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261922378 497475954 /nfs/dbraw/zinc/47/59/54/497475954.db2.gz BUWSOWGFUISLFG-PIGZYNQJSA-N 2 2 363.303 3.031 10 0 FGAELP Cn1cc[nH+]c1CN(Cc1ncc(C(C)(C)C)s1)[C@@H]1CC12CC[NH2+]CC2 ZINC000262024963 497495408 /nfs/dbraw/zinc/49/54/08/497495408.db2.gz WMTRPNCSKHUSNG-OAHLLOKOSA-N 2 2 373.570 3.318 10 0 FGAELP COc1cccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)c1OC ZINC000190486894 497500290 /nfs/dbraw/zinc/50/02/90/497500290.db2.gz PYGCIHHSDAIVTG-GOSISDBHSA-N 2 2 355.482 3.053 10 0 FGAELP COc1cccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)c1OC ZINC000190486894 497500293 /nfs/dbraw/zinc/50/02/93/497500293.db2.gz PYGCIHHSDAIVTG-GOSISDBHSA-N 2 2 355.482 3.053 10 0 FGAELP COc1cccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)c1OC ZINC000190486894 497500298 /nfs/dbraw/zinc/50/02/98/497500298.db2.gz PYGCIHHSDAIVTG-GOSISDBHSA-N 2 2 355.482 3.053 10 0 FGAELP COc1cccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)c1OC ZINC000190486894 497500302 /nfs/dbraw/zinc/50/03/02/497500302.db2.gz PYGCIHHSDAIVTG-GOSISDBHSA-N 2 2 355.482 3.053 10 0 FGAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000190486071 497500418 /nfs/dbraw/zinc/50/04/18/497500418.db2.gz DQUDOTWWMZVOAI-OAQYLSRUSA-N 2 2 361.493 3.221 10 0 FGAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000190486071 497500423 /nfs/dbraw/zinc/50/04/23/497500423.db2.gz DQUDOTWWMZVOAI-OAQYLSRUSA-N 2 2 361.493 3.221 10 0 FGAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000190486071 497500429 /nfs/dbraw/zinc/50/04/29/497500429.db2.gz DQUDOTWWMZVOAI-OAQYLSRUSA-N 2 2 361.493 3.221 10 0 FGAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000190486071 497500435 /nfs/dbraw/zinc/50/04/35/497500435.db2.gz DQUDOTWWMZVOAI-OAQYLSRUSA-N 2 2 361.493 3.221 10 0 FGAELP C[C@@H]([NH3+])CCNC(=O)c1ccccc1SCc1cn2ccccc2[nH+]1 ZINC000262526523 497571434 /nfs/dbraw/zinc/57/14/34/497571434.db2.gz AQOBKBJCUVYYAY-CQSZACIVSA-N 2 2 354.479 3.094 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H]2CCCN(c3ccccc3F)C2=O)C1 ZINC000245921700 497572643 /nfs/dbraw/zinc/57/26/43/497572643.db2.gz WXFJUSWAAMTEGQ-APWZRJJASA-N 2 2 370.472 3.417 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H]2CCCN(c3ccccc3F)C2=O)C1 ZINC000245921700 497572645 /nfs/dbraw/zinc/57/26/45/497572645.db2.gz WXFJUSWAAMTEGQ-APWZRJJASA-N 2 2 370.472 3.417 10 0 FGAELP O=C1[C@H]([N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)CCCN1c1ccccc1F ZINC000245929614 497575528 /nfs/dbraw/zinc/57/55/28/497575528.db2.gz YFZHFIJEKVWVIX-QFBILLFUSA-N 2 2 368.456 3.150 10 0 FGAELP O=C1[C@H]([N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)CCCN1c1ccccc1F ZINC000245929614 497575531 /nfs/dbraw/zinc/57/55/31/497575531.db2.gz YFZHFIJEKVWVIX-QFBILLFUSA-N 2 2 368.456 3.150 10 0 FGAELP O=C1[C@@H]([N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)CCN1c1cccc(Cl)c1 ZINC000246098080 497620604 /nfs/dbraw/zinc/62/06/04/497620604.db2.gz ALLZPRXVPFJMEC-YJBOKZPZSA-N 2 2 370.884 3.274 10 0 FGAELP O=C1[C@@H]([N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)CCN1c1cccc(Cl)c1 ZINC000246098080 497620609 /nfs/dbraw/zinc/62/06/09/497620609.db2.gz ALLZPRXVPFJMEC-YJBOKZPZSA-N 2 2 370.884 3.274 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@H](C)C(=O)Nc3cccnc3Cl)C2)[nH+]1 ZINC000246141702 497635412 /nfs/dbraw/zinc/63/54/12/497635412.db2.gz NVPHVCDDEPJSDM-CABCVRRESA-N 2 2 373.888 3.199 10 0 FGAELP Cc1cccc(NC[C@@H]2CC[N@H+]([C@H](C)C(=O)Nc3cccnc3Cl)C2)[nH+]1 ZINC000246141702 497635418 /nfs/dbraw/zinc/63/54/18/497635418.db2.gz NVPHVCDDEPJSDM-CABCVRRESA-N 2 2 373.888 3.199 10 0 FGAELP C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246191595 497653987 /nfs/dbraw/zinc/65/39/87/497653987.db2.gz WKCJNWOZPVTSTE-KBPBESRZSA-N 2 2 360.408 3.121 10 0 FGAELP C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246191595 497653992 /nfs/dbraw/zinc/65/39/92/497653992.db2.gz WKCJNWOZPVTSTE-KBPBESRZSA-N 2 2 360.408 3.121 10 0 FGAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)[C@H](C)c2ccc(OC)cc2)nc[nH+]1 ZINC000246575925 497780618 /nfs/dbraw/zinc/78/06/18/497780618.db2.gz YIMONZQVHHNHFG-XYJFISCASA-N 2 2 369.513 3.278 10 0 FGAELP O=C1[C@@H]([N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CCCN1c1cccc(F)c1 ZINC000246723070 497804412 /nfs/dbraw/zinc/80/44/12/497804412.db2.gz GTIWSYQDWKXFDV-APWZRJJASA-N 2 2 368.456 3.150 10 0 FGAELP O=C1[C@@H]([N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CCCN1c1cccc(F)c1 ZINC000246723070 497804413 /nfs/dbraw/zinc/80/44/13/497804413.db2.gz GTIWSYQDWKXFDV-APWZRJJASA-N 2 2 368.456 3.150 10 0 FGAELP C[C@H]([NH2+]CCCCn1cc[nH+]c1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000310475586 713798886 /nfs/dbraw/zinc/79/88/86/713798886.db2.gz NOTYEGBINOOPHB-DLBZAZTESA-N 2 2 350.507 3.289 10 0 FGAELP C[N@H+](Cc1cnc(C(C)(C)C)s1)C1CC[NH+](CCn2cccn2)CC1 ZINC000121227450 494655745 /nfs/dbraw/zinc/65/57/45/494655745.db2.gz YFWLYFPVGOQZDS-UHFFFAOYSA-N 2 2 361.559 3.234 10 0 FGAELP C[N@@H+](Cc1cnc(C(C)(C)C)s1)C1CC[NH+](CCn2cccn2)CC1 ZINC000121227450 494655755 /nfs/dbraw/zinc/65/57/55/494655755.db2.gz YFWLYFPVGOQZDS-UHFFFAOYSA-N 2 2 361.559 3.234 10 0 FGAELP C[C@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccc(-n2cc[nH+]c2)c1 ZINC000075313990 494726727 /nfs/dbraw/zinc/72/67/27/494726727.db2.gz QQOANCCLGSWMGB-UXDRXVOSSA-N 2 2 367.497 3.248 10 0 FGAELP C[C@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cccc(-n2cc[nH+]c2)c1 ZINC000075313990 494726736 /nfs/dbraw/zinc/72/67/36/494726736.db2.gz QQOANCCLGSWMGB-UXDRXVOSSA-N 2 2 367.497 3.248 10 0 FGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000133062406 494963093 /nfs/dbraw/zinc/96/30/93/494963093.db2.gz NIVNCFLPXBZBNA-ZFWWWQNUSA-N 2 2 373.419 3.376 10 0 FGAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000133062406 494963095 /nfs/dbraw/zinc/96/30/95/494963095.db2.gz NIVNCFLPXBZBNA-ZFWWWQNUSA-N 2 2 373.419 3.376 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)c2cn(-c3ccccc3)nn2)C1 ZINC000128047248 495036272 /nfs/dbraw/zinc/03/62/72/495036272.db2.gz HHVSPRGGZVEMOU-FUHWJXTLSA-N 2 2 350.470 3.424 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)c2cn(-c3ccccc3)nn2)C1 ZINC000128047248 495036276 /nfs/dbraw/zinc/03/62/76/495036276.db2.gz HHVSPRGGZVEMOU-FUHWJXTLSA-N 2 2 350.470 3.424 10 0 FGAELP CC[C@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(OC)cc1 ZINC000098143826 495061544 /nfs/dbraw/zinc/06/15/44/495061544.db2.gz YUFPOTGKIXCXAC-UNMCSNQZSA-N 2 2 354.494 3.155 10 0 FGAELP CC[C@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(OC)cc1 ZINC000098143826 495061547 /nfs/dbraw/zinc/06/15/47/495061547.db2.gz YUFPOTGKIXCXAC-UNMCSNQZSA-N 2 2 354.494 3.155 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)Nc2ccnn2C2CCCC2)C1 ZINC000106215664 495434980 /nfs/dbraw/zinc/43/49/80/495434980.db2.gz LQNRCVTZQAPFLV-KRWDZBQOSA-N 2 2 370.501 3.033 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)Nc2ccnn2C2CCCC2)C1 ZINC000106215664 495434982 /nfs/dbraw/zinc/43/49/82/495434982.db2.gz LQNRCVTZQAPFLV-KRWDZBQOSA-N 2 2 370.501 3.033 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)C1 ZINC000106217174 495435272 /nfs/dbraw/zinc/43/52/72/495435272.db2.gz JDTUIIUMZMVQTE-TXPKVOOTSA-N 2 2 372.488 3.487 10 0 FGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)C1 ZINC000106217174 495435277 /nfs/dbraw/zinc/43/52/77/495435277.db2.gz JDTUIIUMZMVQTE-TXPKVOOTSA-N 2 2 372.488 3.487 10 0 FGAELP O[C@H](C[NH2+]Cc1ccc(-c2c(F)cccc2F)o1)C[NH+]1CCCCC1 ZINC000115613625 495521454 /nfs/dbraw/zinc/52/14/54/495521454.db2.gz MPTWNBKDRUUOET-CQSZACIVSA-N 2 2 350.409 3.161 10 0 FGAELP CC(C)CO[C@@H](C)c1noc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)n1 ZINC000173897268 495737619 /nfs/dbraw/zinc/73/76/19/495737619.db2.gz XZGFRNCYKGQLCF-JKSUJKDBSA-N 2 2 359.474 3.132 10 0 FGAELP CC(C)CO[C@@H](C)c1noc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)n1 ZINC000173897268 495737628 /nfs/dbraw/zinc/73/76/28/495737628.db2.gz XZGFRNCYKGQLCF-JKSUJKDBSA-N 2 2 359.474 3.132 10 0 FGAELP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000151304788 495799762 /nfs/dbraw/zinc/79/97/62/495799762.db2.gz JXPQQGLDFQMCIV-RHSMWYFYSA-N 2 2 360.527 3.011 10 0 FGAELP O=C1[C@H]([N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)CCN1c1cccc(Cl)c1 ZINC000177092846 495922218 /nfs/dbraw/zinc/92/22/18/495922218.db2.gz ALLZPRXVPFJMEC-MAUKXSAKSA-N 2 2 370.884 3.274 10 0 FGAELP O=C1[C@H]([N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)CCN1c1cccc(Cl)c1 ZINC000177092846 495922222 /nfs/dbraw/zinc/92/22/22/495922222.db2.gz ALLZPRXVPFJMEC-MAUKXSAKSA-N 2 2 370.884 3.274 10 0 FGAELP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)C12CCOCC2 ZINC000186274692 495924074 /nfs/dbraw/zinc/92/40/74/495924074.db2.gz MYVXABNWVTUDSO-RTBURBONSA-N 2 2 359.445 3.075 10 0 FGAELP C[C@H](C(=O)NCCC1=CCCCC1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171644929 495963589 /nfs/dbraw/zinc/96/35/89/495963589.db2.gz RAXSUIVTFMGVTF-IEBWSBKVSA-N 2 2 356.514 3.211 10 0 FGAELP C[C@H](C(=O)NCCC1=CCCCC1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171644929 495963592 /nfs/dbraw/zinc/96/35/92/495963592.db2.gz RAXSUIVTFMGVTF-IEBWSBKVSA-N 2 2 356.514 3.211 10 0 FGAELP Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000171647346 495966055 /nfs/dbraw/zinc/96/60/55/495966055.db2.gz NRMYWCUBFUEALO-HNNXBMFYSA-N 2 2 358.873 3.416 10 0 FGAELP Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000171647346 495966061 /nfs/dbraw/zinc/96/60/61/495966061.db2.gz NRMYWCUBFUEALO-HNNXBMFYSA-N 2 2 358.873 3.416 10 0 FGAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2ccc3ccccc3n2)nc[nH+]1 ZINC000180569116 496048577 /nfs/dbraw/zinc/04/85/77/496048577.db2.gz LQQDVUAWGAKTGY-DOTOQJQBSA-N 2 2 362.481 3.386 10 0 FGAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2ncc(C(C)(C)C)o2)nc[nH+]1 ZINC000175184745 496281713 /nfs/dbraw/zinc/28/17/13/496281713.db2.gz IWZSQMACEOKONV-ZIAGYGMSSA-N 2 2 358.490 3.123 10 0 FGAELP CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000247375644 496846620 /nfs/dbraw/zinc/84/66/20/496846620.db2.gz OGZKIRVLVNATKJ-QUCCMNQESA-N 2 2 366.509 3.253 10 0 FGAELP CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000247375644 496846623 /nfs/dbraw/zinc/84/66/23/496846623.db2.gz OGZKIRVLVNATKJ-QUCCMNQESA-N 2 2 366.509 3.253 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cc(F)ccc2F)C1 ZINC000247566601 496889923 /nfs/dbraw/zinc/88/99/23/496889923.db2.gz GRKGXGAMCAOKDD-HIFRSBDPSA-N 2 2 362.424 3.388 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cc(F)ccc2F)C1 ZINC000247566601 496889926 /nfs/dbraw/zinc/88/99/26/496889926.db2.gz GRKGXGAMCAOKDD-HIFRSBDPSA-N 2 2 362.424 3.388 10 0 FGAELP O=C1[C@@H]([N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)CCN1c1ccccc1Cl ZINC000247737162 496910543 /nfs/dbraw/zinc/91/05/43/496910543.db2.gz VZUMKDVVGGKSKS-YJBOKZPZSA-N 2 2 370.884 3.274 10 0 FGAELP O=C1[C@@H]([N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)CCN1c1ccccc1Cl ZINC000247737162 496910549 /nfs/dbraw/zinc/91/05/49/496910549.db2.gz VZUMKDVVGGKSKS-YJBOKZPZSA-N 2 2 370.884 3.274 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)NCc2ccccc2Cl)C1 ZINC000247874598 496923328 /nfs/dbraw/zinc/92/33/28/496923328.db2.gz YFZWEDMCICCEIT-WBVHZDCISA-N 2 2 374.916 3.441 10 0 FGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)NCc2ccccc2Cl)C1 ZINC000247874598 496923335 /nfs/dbraw/zinc/92/33/35/496923335.db2.gz YFZWEDMCICCEIT-WBVHZDCISA-N 2 2 374.916 3.441 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3nc([C@H](C)OCC(C)C)no3)C2)[nH+]1 ZINC000245496612 497429094 /nfs/dbraw/zinc/42/90/94/497429094.db2.gz RTKSSXPVQMLPER-DLBZAZTESA-N 2 2 373.501 3.441 10 0 FGAELP Cc1cccc(NC[C@H]2CC[N@H+](Cc3nc([C@H](C)OCC(C)C)no3)C2)[nH+]1 ZINC000245496612 497429097 /nfs/dbraw/zinc/42/90/97/497429097.db2.gz RTKSSXPVQMLPER-DLBZAZTESA-N 2 2 373.501 3.441 10 0 FGAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000193692362 497448576 /nfs/dbraw/zinc/44/85/76/497448576.db2.gz YWHIDYSZQDUKMT-XJKSGUPXSA-N 2 2 368.319 3.240 10 0 FGAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000193692362 497448581 /nfs/dbraw/zinc/44/85/81/497448581.db2.gz YWHIDYSZQDUKMT-XJKSGUPXSA-N 2 2 368.319 3.240 10 0 FGAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](Cc2cccc3c2OCCO3)C1 ZINC000190457514 497485937 /nfs/dbraw/zinc/48/59/37/497485937.db2.gz IZYOANNCHMBAJM-MRXNPFEDSA-N 2 2 373.522 3.177 10 0 FGAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc3c2OCCO3)C1 ZINC000190457514 497485939 /nfs/dbraw/zinc/48/59/39/497485939.db2.gz IZYOANNCHMBAJM-MRXNPFEDSA-N 2 2 373.522 3.177 10 0 FGAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc3c2OCCO3)C1 ZINC000190457514 497485950 /nfs/dbraw/zinc/48/59/50/497485950.db2.gz IZYOANNCHMBAJM-MRXNPFEDSA-N 2 2 373.522 3.177 10 0 FGAELP COc1ccc(OC)c(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000190479712 497497156 /nfs/dbraw/zinc/49/71/56/497497156.db2.gz UWUYYUZNAFVAJC-GOSISDBHSA-N 2 2 355.482 3.053 10 0 FGAELP COc1ccc(OC)c(C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000190479712 497497158 /nfs/dbraw/zinc/49/71/58/497497158.db2.gz UWUYYUZNAFVAJC-GOSISDBHSA-N 2 2 355.482 3.053 10 0 FGAELP COc1ccc(OC)c(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)c1 ZINC000190479712 497497166 /nfs/dbraw/zinc/49/71/66/497497166.db2.gz UWUYYUZNAFVAJC-GOSISDBHSA-N 2 2 355.482 3.053 10 0 FGAELP Cc1ccc(-c2n[nH]cc2C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)o1 ZINC000190487317 497500087 /nfs/dbraw/zinc/50/00/87/497500087.db2.gz XLKNPVPTFJNWPO-GOSISDBHSA-N 2 2 365.481 3.327 10 0 FGAELP Cc1ccc(-c2n[nH]cc2C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)o1 ZINC000190487317 497500091 /nfs/dbraw/zinc/50/00/91/497500091.db2.gz XLKNPVPTFJNWPO-GOSISDBHSA-N 2 2 365.481 3.327 10 0 FGAELP Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)o1 ZINC000190487317 497500093 /nfs/dbraw/zinc/50/00/93/497500093.db2.gz XLKNPVPTFJNWPO-GOSISDBHSA-N 2 2 365.481 3.327 10 0 FGAELP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)o1 ZINC000190487317 497500099 /nfs/dbraw/zinc/50/00/99/497500099.db2.gz XLKNPVPTFJNWPO-GOSISDBHSA-N 2 2 365.481 3.327 10 0 FGAELP O[C@@H](C[NH2+][C@H](c1ccc(Br)s1)C1CC1)C[NH+]1CCCCC1 ZINC000190592175 497537187 /nfs/dbraw/zinc/53/71/87/497537187.db2.gz TXUDEUQPJQFDRE-BBRMVZONSA-N 2 2 373.360 3.398 10 0 FGAELP Cc1ccc(F)cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246191410 497653961 /nfs/dbraw/zinc/65/39/61/497653961.db2.gz WHALTMHDJUQRBA-HOTGVXAUSA-N 2 2 356.445 3.290 10 0 FGAELP Cc1ccc(F)cc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246191410 497653966 /nfs/dbraw/zinc/65/39/66/497653966.db2.gz WHALTMHDJUQRBA-HOTGVXAUSA-N 2 2 356.445 3.290 10 0 FGAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H]2CCSc3c(F)cccc32)nc[nH+]1 ZINC000246476278 497746188 /nfs/dbraw/zinc/74/61/88/497746188.db2.gz QWLSLXPBDWWEHQ-BBRMVZONSA-N 2 2 373.501 3.453 10 0 FGAELP [NH3+]CCCC[C@H]([NH3+])c1cc(Br)c(O)c(Br)c1 ZINC000575439481 505976687 /nfs/dbraw/zinc/97/66/87/505976687.db2.gz AFEZUJFLWZWTKU-JTQLQIEISA-N 2 2 352.070 3.046 10 0 FGAELP CC(C)(C)n1cc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nn1 ZINC000311892028 498753554 /nfs/dbraw/zinc/75/35/54/498753554.db2.gz AVICIQSQEFEGTB-DFQSSKMNSA-N 2 2 353.514 3.033 10 0 FGAELP CC(C)(C)n1cc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nn1 ZINC000311892028 498753556 /nfs/dbraw/zinc/75/35/56/498753556.db2.gz AVICIQSQEFEGTB-DFQSSKMNSA-N 2 2 353.514 3.033 10 0 FGAELP COC(=O)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)o1 ZINC000390651008 499554926 /nfs/dbraw/zinc/55/49/26/499554926.db2.gz NLWYBXQBDZKJNJ-AYHJJNSGSA-N 2 2 354.450 3.351 10 0 FGAELP COC(=O)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)o1 ZINC000390651008 499554927 /nfs/dbraw/zinc/55/49/27/499554927.db2.gz NLWYBXQBDZKJNJ-AYHJJNSGSA-N 2 2 354.450 3.351 10 0 FGAELP Oc1cccc2c1CC[C@@H]2[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390670800 499555362 /nfs/dbraw/zinc/55/53/62/499555362.db2.gz RZKMVHGECAVHEB-RXVVDRJESA-N 2 2 352.478 3.260 10 0 FGAELP Oc1cccc2c1CC[C@@H]2[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390670800 499555363 /nfs/dbraw/zinc/55/53/63/499555363.db2.gz RZKMVHGECAVHEB-RXVVDRJESA-N 2 2 352.478 3.260 10 0 FGAELP CC1([NH3+])CCN(c2nc(N)c(-c3cccc(Cl)c3Cl)c[nH+]2)CC1 ZINC000584636744 507433849 /nfs/dbraw/zinc/43/38/49/507433849.db2.gz BBHWSBPGMHSPCC-UHFFFAOYSA-N 2 2 352.269 3.181 10 0 FGAELP