smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000193525673 178167503 /nfs/dbraw/zinc/16/75/03/178167503.db2.gz PFGJCZBILPYFIT-WMLDXEAASA-N 2 2 355.442 1.782 10 0 FDAELP O=C(C1CC[NH+](C2CC2)CC1)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000194579801 178216722 /nfs/dbraw/zinc/21/67/22/178216722.db2.gz LUTBAIKGIIEEIM-FQEVSTJZSA-N 2 2 357.498 1.739 10 0 FDAELP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000237651425 178323669 /nfs/dbraw/zinc/32/36/69/178323669.db2.gz TVKNECWKIQPBTO-IXDOHACOSA-N 2 2 350.507 1.049 10 0 FDAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C(N)=O)c2ccc(F)cc2)nc[nH+]1 ZINC000245910627 178387414 /nfs/dbraw/zinc/38/74/14/178387414.db2.gz JBSWECWMOCNJQE-RHSMWYFYSA-N 2 2 358.421 1.442 10 0 FDAELP CCCn1cc(C[N@@H+]2CCCN(C(=O)NCCCn3cc[nH+]c3)CC2)cn1 ZINC000172647512 258281895 /nfs/dbraw/zinc/28/18/95/258281895.db2.gz QATUAHSXJQEOAB-UHFFFAOYSA-N 2 2 373.505 1.797 10 0 FDAELP CCCn1cc(C[N@H+]2CCCN(C(=O)NCCCn3cc[nH+]c3)CC2)cn1 ZINC000172647512 258281896 /nfs/dbraw/zinc/28/18/96/258281896.db2.gz QATUAHSXJQEOAB-UHFFFAOYSA-N 2 2 373.505 1.797 10 0 FDAELP CC[NH+]1CCN(c2nc[nH+]c(NC3CC(C)(C)[NH2+]C(C)(C)C3)c2N)CC1 ZINC000040726613 136120057 /nfs/dbraw/zinc/12/00/57/136120057.db2.gz PYSBVUVOIMEOML-UHFFFAOYSA-N 3 2 361.538 1.922 10 0 FDAELP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000173345665 258296998 /nfs/dbraw/zinc/29/69/98/258296998.db2.gz RCRPVVQBBYGJRK-RDJZCZTQSA-N 2 2 369.531 1.434 10 0 FDAELP C[C@H](CNC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)[NH+]1CCOCC1 ZINC000071913343 172040394 /nfs/dbraw/zinc/04/03/94/172040394.db2.gz QOFCSQWHBKITKE-HZPDHXFCSA-N 2 2 366.531 1.905 10 0 FDAELP C[N@@H+]1CCO[C@@H](CNC(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000104793569 172387134 /nfs/dbraw/zinc/38/71/34/172387134.db2.gz FMVVXYRCNNVOIX-INIZCTEOSA-N 2 2 366.531 1.590 10 0 FDAELP C[N@H+]1CCO[C@@H](CNC(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000104793569 172387135 /nfs/dbraw/zinc/38/71/35/172387135.db2.gz FMVVXYRCNNVOIX-INIZCTEOSA-N 2 2 366.531 1.590 10 0 FDAELP CC[NH+](CC)[C@@H](C)CNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000126942754 173060259 /nfs/dbraw/zinc/06/02/59/173060259.db2.gz YDQOMQAFFWGMLO-HTUJPFKRSA-N 3 2 365.566 1.669 10 0 FDAELP CC[NH+](CC)[C@@H](C)CNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000126942754 173060263 /nfs/dbraw/zinc/06/02/63/173060263.db2.gz YDQOMQAFFWGMLO-HTUJPFKRSA-N 3 2 365.566 1.669 10 0 FDAELP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000177349005 174122826 /nfs/dbraw/zinc/12/28/26/174122826.db2.gz FSXNJERKLRAOOL-QGZVFWFLSA-N 2 2 361.490 1.544 10 0 FDAELP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000177349005 174122827 /nfs/dbraw/zinc/12/28/27/174122827.db2.gz FSXNJERKLRAOOL-QGZVFWFLSA-N 2 2 361.490 1.544 10 0 FDAELP C[C@H]([NH2+]CC(=O)NCC(=O)N1CCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180653171 258372498 /nfs/dbraw/zinc/37/24/98/258372498.db2.gz IDXAMDQBAXZXSD-HNNXBMFYSA-N 2 2 355.442 1.262 10 0 FDAELP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173779325 258310772 /nfs/dbraw/zinc/31/07/72/258310772.db2.gz DPWVXPASCAKDEC-VQTJNVASSA-N 2 2 372.513 1.940 10 0 FDAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+]([C@H](C)C(=O)NC(C)(C)C)CC2)C1 ZINC000247768178 258399515 /nfs/dbraw/zinc/39/95/15/258399515.db2.gz OLLKXCGEOJPXMO-IAGOWNOFSA-N 2 2 354.539 1.016 10 0 FDAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+]([C@H](C)C(=O)NC(C)(C)C)CC2)C1 ZINC000247768178 258399516 /nfs/dbraw/zinc/39/95/16/258399516.db2.gz OLLKXCGEOJPXMO-IAGOWNOFSA-N 2 2 354.539 1.016 10 0 FDAELP OC[C@H]1CCCN1c1cc(NC2CC[NH+](C[C@H]3CCOC3)CC2)nc[nH+]1 ZINC000301288433 259025319 /nfs/dbraw/zinc/02/53/19/259025319.db2.gz RZLOLULUSLPILC-NVXWUHKLSA-N 2 2 361.490 1.351 10 0 FDAELP OC[C@H]1CCCN1c1cc(NC2CC[NH+](C[C@H]3CCOC3)CC2)[nH+]cn1 ZINC000301288433 259025320 /nfs/dbraw/zinc/02/53/20/259025320.db2.gz RZLOLULUSLPILC-NVXWUHKLSA-N 2 2 361.490 1.351 10 0 FDAELP C[C@H]1CCCN(c2cc(N3CCC([N@@H+]4CCC[C@H]4C(N)=O)CC3)nc[nH+]2)C1 ZINC000301955528 259036889 /nfs/dbraw/zinc/03/68/89/259036889.db2.gz KREIYTDYFGKLQJ-RDJZCZTQSA-N 2 2 372.517 1.631 10 0 FDAELP C[C@H]1CCCN(c2cc(N3CCC([N@H+]4CCC[C@H]4C(N)=O)CC3)nc[nH+]2)C1 ZINC000301955528 259036890 /nfs/dbraw/zinc/03/68/90/259036890.db2.gz KREIYTDYFGKLQJ-RDJZCZTQSA-N 2 2 372.517 1.631 10 0 FDAELP C[C@H]1CCCN(c2cc(N3CCC([N@@H+]4CCC[C@H]4C(N)=O)CC3)[nH+]cn2)C1 ZINC000301955528 259036891 /nfs/dbraw/zinc/03/68/91/259036891.db2.gz KREIYTDYFGKLQJ-RDJZCZTQSA-N 2 2 372.517 1.631 10 0 FDAELP C[C@H]1CCCN(c2cc(N3CCC([N@H+]4CCC[C@H]4C(N)=O)CC3)[nH+]cn2)C1 ZINC000301955528 259036892 /nfs/dbraw/zinc/03/68/92/259036892.db2.gz KREIYTDYFGKLQJ-RDJZCZTQSA-N 2 2 372.517 1.631 10 0 FDAELP C[C@@H]1CN(C(=O)c2ccc3c(c2)OCC(=O)N3)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000329094086 259077283 /nfs/dbraw/zinc/07/72/83/259077283.db2.gz KJJUFXKHTPJGSX-CQSZACIVSA-N 2 2 372.469 1.908 10 0 FDAELP C[C@@H]1CN(C(=O)c2ccc3c(c2)OCC(=O)N3)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000329094086 259077284 /nfs/dbraw/zinc/07/72/84/259077284.db2.gz KJJUFXKHTPJGSX-CQSZACIVSA-N 2 2 372.469 1.908 10 0 FDAELP O[C@H](COc1cccc(C[NH2+]CCc2cccnc2)c1)C[NH+]1CCOCC1 ZINC000015076448 518706785 /nfs/dbraw/zinc/70/67/85/518706785.db2.gz DAIORUWANZIIES-FQEVSTJZSA-N 2 2 371.481 1.486 10 0 FDAELP CCn1c[nH+]cc1Cn1nc([C@H]2CCC[NH2+]C2)n(-c2ccccc2)c1=O ZINC000071708167 522118966 /nfs/dbraw/zinc/11/89/66/522118966.db2.gz JDRWPQDGTPWQEE-HNNXBMFYSA-N 2 2 352.442 1.766 10 0 FDAELP C[NH+]1CCN(C(=O)c2ccc(N3CC[NH2+][C@H](c4ccccc4)C3)nc2)CC1 ZINC000065256052 522797157 /nfs/dbraw/zinc/79/71/57/522797157.db2.gz QCFGTIZCEALVQE-IBGZPJMESA-N 2 2 365.481 1.620 10 0 FDAELP C[NH+]1CCC([NH+]2CCC(NC(=O)NCCCC[NH+]3CCCC3)CC2)CC1 ZINC000051760751 523066306 /nfs/dbraw/zinc/06/63/06/523066306.db2.gz KAXJYMJFOCSYID-UHFFFAOYSA-N 3 2 365.566 1.720 10 0 FDAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](Cc3ccccc3N(C)C)CC2)C1 ZINC000173681929 524433442 /nfs/dbraw/zinc/43/34/42/524433442.db2.gz HOTLCTXKUJRWKI-FQEVSTJZSA-N 2 2 360.546 1.979 10 0 FDAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](Cc3ccccc3N(C)C)CC2)C1 ZINC000173681929 524433453 /nfs/dbraw/zinc/43/34/53/524433453.db2.gz HOTLCTXKUJRWKI-FQEVSTJZSA-N 2 2 360.546 1.979 10 0 FDAELP CNc1cc(N2CCC[C@@H]2CNC(=O)NCCCn2cc[nH+]c2)nc[nH+]1 ZINC000174000033 524501437 /nfs/dbraw/zinc/50/14/37/524501437.db2.gz RMXPAMQNDSNEEC-CQSZACIVSA-N 2 2 358.450 1.073 10 0 FDAELP CCOCC[N@@H+]1CCN(c2cc(N3CCC[C@H](CO)C3)[nH+]cn2)C[C@@H]1C ZINC000174736456 524714845 /nfs/dbraw/zinc/71/48/45/524714845.db2.gz GQVORJHKXBIRLH-IRXDYDNUSA-N 2 2 363.506 1.232 10 0 FDAELP CCOCC[N@H+]1CCN(c2cc(N3CCC[C@H](CO)C3)[nH+]cn2)C[C@@H]1C ZINC000174736456 524714857 /nfs/dbraw/zinc/71/48/57/524714857.db2.gz GQVORJHKXBIRLH-IRXDYDNUSA-N 2 2 363.506 1.232 10 0 FDAELP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC000174875811 524773635 /nfs/dbraw/zinc/77/36/35/524773635.db2.gz GYBBXJVPVWBOCI-UHFFFAOYSA-N 2 2 361.534 1.802 10 0 FDAELP CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)C1 ZINC000115807124 525064526 /nfs/dbraw/zinc/06/45/26/525064526.db2.gz HPJVQESZVUWSMV-KRWDZBQOSA-N 2 2 362.522 1.348 10 0 FDAELP CC[N@H+]1CCC[C@H](NC(=O)N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)C1 ZINC000115807124 525064539 /nfs/dbraw/zinc/06/45/39/525064539.db2.gz HPJVQESZVUWSMV-KRWDZBQOSA-N 2 2 362.522 1.348 10 0 FDAELP NC(=O)C[NH+]1CCC(C(=O)N2CCC[C@@H](c3[nH+]ccn3CC3CC3)C2)CC1 ZINC000095527157 525102668 /nfs/dbraw/zinc/10/26/68/525102668.db2.gz YLKBFROXNIKXMW-QGZVFWFLSA-N 2 2 373.501 1.196 10 0 FDAELP CCOCC[N@@H+]1CCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@@H]1CC ZINC000117025088 525267617 /nfs/dbraw/zinc/26/76/17/525267617.db2.gz QICUJRFEZVNKPC-KRWDZBQOSA-N 2 2 370.538 1.240 10 0 FDAELP CCOCC[N@H+]1CCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@@H]1CC ZINC000117025088 525267624 /nfs/dbraw/zinc/26/76/24/525267624.db2.gz QICUJRFEZVNKPC-KRWDZBQOSA-N 2 2 370.538 1.240 10 0 FDAELP C[C@H]1CCCC[C@H]1NC(=O)C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106130593 525623150 /nfs/dbraw/zinc/62/31/50/525623150.db2.gz KYOBSJHPPMUCEK-PKOBYXMFSA-N 2 2 361.534 1.974 10 0 FDAELP C[C@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106130593 525623157 /nfs/dbraw/zinc/62/31/57/525623157.db2.gz KYOBSJHPPMUCEK-PKOBYXMFSA-N 2 2 361.534 1.974 10 0 FDAELP C[NH+]1CCC(Oc2ccc(NC(=O)[C@@H]3CCn4c[nH+]cc4C3)cn2)CC1 ZINC000154906502 525680297 /nfs/dbraw/zinc/68/02/97/525680297.db2.gz RMQRADXZDZJJKD-CQSZACIVSA-N 2 2 355.442 1.952 10 0 FDAELP C[NH+](C)[C@H](Cc1ccccc1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cn1 ZINC000106907714 525819653 /nfs/dbraw/zinc/81/96/53/525819653.db2.gz GVPFYDQIPSZZPL-LJQANCHMSA-N 2 2 367.497 1.945 10 0 FDAELP CCCC[N@@H+]1CCOC[C@H]1C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC000184197591 536112615 /nfs/dbraw/zinc/11/26/15/536112615.db2.gz DUSOLYVPHHIMLF-OALUTQOASA-N 2 2 363.502 1.915 10 0 FDAELP CCCC[N@H+]1CCOC[C@H]1C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC000184197591 536112620 /nfs/dbraw/zinc/11/26/20/536112620.db2.gz DUSOLYVPHHIMLF-OALUTQOASA-N 2 2 363.502 1.915 10 0 FDAELP CC[C@@H](O)C[NH+]1CCN(C(=O)NCC[N@@H+]2CCc3sccc3C2)CC1 ZINC000184943950 536193042 /nfs/dbraw/zinc/19/30/42/536193042.db2.gz PYOZCZBZTDFBEA-MRXNPFEDSA-N 2 2 366.531 1.204 10 0 FDAELP CC[C@@H](O)C[NH+]1CCN(C(=O)NCC[N@H+]2CCc3sccc3C2)CC1 ZINC000184943950 536193043 /nfs/dbraw/zinc/19/30/43/536193043.db2.gz PYOZCZBZTDFBEA-MRXNPFEDSA-N 2 2 366.531 1.204 10 0 FDAELP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246435412 536952509 /nfs/dbraw/zinc/95/25/09/536952509.db2.gz VUIIZLIFRWMQMF-HOJAQTOUSA-N 3 2 358.530 1.649 10 0 FDAELP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246435412 536952516 /nfs/dbraw/zinc/95/25/16/536952516.db2.gz VUIIZLIFRWMQMF-HOJAQTOUSA-N 3 2 358.530 1.649 10 0 FDAELP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246435412 536952520 /nfs/dbraw/zinc/95/25/20/536952520.db2.gz VUIIZLIFRWMQMF-HOJAQTOUSA-N 3 2 358.530 1.649 10 0 FDAELP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246435412 536952524 /nfs/dbraw/zinc/95/25/24/536952524.db2.gz VUIIZLIFRWMQMF-HOJAQTOUSA-N 3 2 358.530 1.649 10 0 FDAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3C[C@H](N4CCOCC4)[C@@H](C)C3)c2cc1C ZINC000246506406 536969224 /nfs/dbraw/zinc/96/92/24/536969224.db2.gz QFCYWFSTBXTYDJ-UEXGIBASSA-N 2 2 372.513 1.667 10 0 FDAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3C[C@H](N4CCOCC4)[C@@H](C)C3)c2cc1C ZINC000246506406 536969226 /nfs/dbraw/zinc/96/92/26/536969226.db2.gz QFCYWFSTBXTYDJ-UEXGIBASSA-N 2 2 372.513 1.667 10 0 FDAELP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000263131067 536979378 /nfs/dbraw/zinc/97/93/78/536979378.db2.gz BSAVLUSDSZXRNI-RISCZKNCSA-N 2 2 351.248 1.509 10 0 FDAELP CCn1cc[nH+]c1CN(CC(=O)NCC(F)(F)F)[C@@H]1CC12CC[NH2+]CC2 ZINC000261819903 571023055 /nfs/dbraw/zinc/02/30/55/571023055.db2.gz UIWOVPJFJCDYCZ-CYBMUJFWSA-N 2 2 373.423 1.526 10 0 FDAELP CN(C)S(=O)(=O)c1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000262046151 672717520 /nfs/dbraw/zinc/71/75/20/672717520.db2.gz ZDOUDJVXIOVRIY-GVDBMIGSSA-N 2 2 367.515 1.184 10 0 FDAELP CCOCCOc1ccc(Br)cc1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000262191699 672744099 /nfs/dbraw/zinc/74/40/99/672744099.db2.gz YSAVXDODLHWMIT-UKRRQHHQSA-N 2 2 373.291 1.534 10 0 FDAELP Cn1cc[nH+]c1CN1C(=O)CO[C@H]2C[N@@H+](CCCc3ccccc3)C[C@H]21 ZINC000067897330 204361298 /nfs/dbraw/zinc/36/12/98/204361298.db2.gz AAVQSYRYEMIYSV-MSOLQXFVSA-N 2 2 354.454 1.465 10 0 FDAELP Cn1cc[nH+]c1CN1C(=O)CO[C@H]2C[N@H+](CCCc3ccccc3)C[C@H]21 ZINC000067897330 204361301 /nfs/dbraw/zinc/36/13/01/204361301.db2.gz AAVQSYRYEMIYSV-MSOLQXFVSA-N 2 2 354.454 1.465 10 0 FDAELP COC(=O)c1ccc(Oc2nc[nH+]c(NN3CC[NH+](C)CC3)c2N)cc1 ZINC000040700673 205077025 /nfs/dbraw/zinc/07/70/25/205077025.db2.gz HJYJBRHXDLXDJL-UHFFFAOYSA-N 2 2 358.402 1.212 10 0 FDAELP O=C(C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)NCc1ccc2c(c1)OCO2 ZINC000171647675 258267186 /nfs/dbraw/zinc/26/71/86/258267186.db2.gz RNOPNPBGULYTIS-MRXNPFEDSA-N 2 2 368.437 1.861 10 0 FDAELP O=C(C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)NCc1ccc2c(c1)OCO2 ZINC000171647675 258267187 /nfs/dbraw/zinc/26/71/87/258267187.db2.gz RNOPNPBGULYTIS-MRXNPFEDSA-N 2 2 368.437 1.861 10 0 FDAELP COC(=O)C1(NC(=O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)CCCCC1 ZINC000171641845 258267194 /nfs/dbraw/zinc/26/71/94/258267194.db2.gz JVFALOYCOMKRFL-INIZCTEOSA-N 2 2 374.485 1.808 10 0 FDAELP COC(=O)C1(NC(=O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)CCCCC1 ZINC000171641845 258267195 /nfs/dbraw/zinc/26/71/95/258267195.db2.gz JVFALOYCOMKRFL-INIZCTEOSA-N 2 2 374.485 1.808 10 0 FDAELP O=C(C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)NC1CCC2(CC1)OCCO2 ZINC000171641463 258267211 /nfs/dbraw/zinc/26/72/11/258267211.db2.gz YQVAXHSJZSPDRZ-INIZCTEOSA-N 2 2 374.485 1.617 10 0 FDAELP O=C(C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)NC1CCC2(CC1)OCCO2 ZINC000171641463 258267212 /nfs/dbraw/zinc/26/72/12/258267212.db2.gz YQVAXHSJZSPDRZ-INIZCTEOSA-N 2 2 374.485 1.617 10 0 FDAELP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000172461754 258276802 /nfs/dbraw/zinc/27/68/02/258276802.db2.gz NUKPMHSWRREQRD-INIZCTEOSA-N 2 2 363.506 1.903 10 0 FDAELP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000172461754 258276803 /nfs/dbraw/zinc/27/68/03/258276803.db2.gz NUKPMHSWRREQRD-INIZCTEOSA-N 2 2 363.506 1.903 10 0 FDAELP C[C@@H](NC(=O)N1CCO[C@@H](C[NH+](C)C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173452789 258299699 /nfs/dbraw/zinc/29/96/99/258299699.db2.gz NHEISQBAKLNVNN-QAPCUYQASA-N 2 2 357.458 1.905 10 0 FDAELP O=C(NC[C@@H](c1ccccc1)[NH+]1CCOCC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105135778 172396792 /nfs/dbraw/zinc/39/67/92/172396792.db2.gz ZKVIIULEHMTDJK-UXHICEINSA-N 2 2 372.513 1.940 10 0 FDAELP O=C(NC[C@@H](c1ccccc1)[NH+]1CCOCC1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000105135778 172396795 /nfs/dbraw/zinc/39/67/95/172396795.db2.gz ZKVIIULEHMTDJK-UXHICEINSA-N 2 2 372.513 1.940 10 0 FDAELP Cc1ccc([C@@H](CNC(=O)NC[C@H]2C[N@H+](C)CCO2)[NH+]2CCCC2)cc1 ZINC000105207724 172399561 /nfs/dbraw/zinc/39/95/61/172399561.db2.gz FHRBDRVOTCFUMW-RBUKOAKNSA-N 2 2 360.502 1.762 10 0 FDAELP Cc1ccc([C@@H](CNC(=O)NC[C@H]2C[N@@H+](C)CCO2)[NH+]2CCCC2)cc1 ZINC000105207724 172399562 /nfs/dbraw/zinc/39/95/62/172399562.db2.gz FHRBDRVOTCFUMW-RBUKOAKNSA-N 2 2 360.502 1.762 10 0 FDAELP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000126695134 173050697 /nfs/dbraw/zinc/05/06/97/173050697.db2.gz BAXQHWWRLIJUAP-PKOBYXMFSA-N 2 2 360.502 1.623 10 0 FDAELP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000126695134 173050699 /nfs/dbraw/zinc/05/06/99/173050699.db2.gz BAXQHWWRLIJUAP-PKOBYXMFSA-N 2 2 360.502 1.623 10 0 FDAELP C[C@H]1C[NH+](Cc2ccccc2)CCCN1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000126695134 173050701 /nfs/dbraw/zinc/05/07/01/173050701.db2.gz BAXQHWWRLIJUAP-PKOBYXMFSA-N 2 2 360.502 1.623 10 0 FDAELP C[C@H]1C[NH+](Cc2ccccc2)CCCN1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000126695134 173050703 /nfs/dbraw/zinc/05/07/03/173050703.db2.gz BAXQHWWRLIJUAP-PKOBYXMFSA-N 2 2 360.502 1.623 10 0 FDAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](CCN(C)c3ccccc3)CC2)C1 ZINC000131464806 173203862 /nfs/dbraw/zinc/20/38/62/173203862.db2.gz YUNAYWMNZWKVKG-NRFANRHFSA-N 2 2 360.546 1.850 10 0 FDAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](CCN(C)c3ccccc3)CC2)C1 ZINC000131464806 173203865 /nfs/dbraw/zinc/20/38/65/173203865.db2.gz YUNAYWMNZWKVKG-NRFANRHFSA-N 2 2 360.546 1.850 10 0 FDAELP CC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000175377918 174003668 /nfs/dbraw/zinc/00/36/68/174003668.db2.gz KWJUJDXZZPUCQX-GJZGRUSLSA-N 2 2 361.494 1.271 10 0 FDAELP CC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000175377918 174003670 /nfs/dbraw/zinc/00/36/70/174003670.db2.gz KWJUJDXZZPUCQX-GJZGRUSLSA-N 2 2 361.494 1.271 10 0 FDAELP CC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000175377918 174003672 /nfs/dbraw/zinc/00/36/72/174003672.db2.gz KWJUJDXZZPUCQX-GJZGRUSLSA-N 2 2 361.494 1.271 10 0 FDAELP CC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000175377918 174003674 /nfs/dbraw/zinc/00/36/74/174003674.db2.gz KWJUJDXZZPUCQX-GJZGRUSLSA-N 2 2 361.494 1.271 10 0 FDAELP C[C@H]1CN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C[C@H]1[NH+]1CCOCC1 ZINC000175650685 174016814 /nfs/dbraw/zinc/01/68/14/174016814.db2.gz DYANGELGDDKLGL-FUHWJXTLSA-N 2 2 373.501 1.544 10 0 FDAELP O=C(NC1CC[NH+](C2CCCC2)CC1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000176033726 174046052 /nfs/dbraw/zinc/04/60/52/174046052.db2.gz SJOJZLOUVZGPCJ-GOSISDBHSA-N 2 2 350.507 1.510 10 0 FDAELP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000177186848 174112319 /nfs/dbraw/zinc/11/23/19/174112319.db2.gz BQJVHMKIBGNBEH-GOSISDBHSA-N 2 2 368.485 1.643 10 0 FDAELP O=C(NC1CC[NH+](Cc2ccccn2)CC1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173779068 258310210 /nfs/dbraw/zinc/31/02/10/258310210.db2.gz MCHHXNJWXHCDDN-LJQANCHMSA-N 2 2 373.501 1.162 10 0 FDAELP O=C(NCC[N@@H+]1CCc2sccc2C1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173790442 258310969 /nfs/dbraw/zinc/31/09/69/258310969.db2.gz SXZMOMJZCIUPCV-INIZCTEOSA-N 2 2 364.515 1.222 10 0 FDAELP O=C(NCC[N@H+]1CCc2sccc2C1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173790442 258310970 /nfs/dbraw/zinc/31/09/70/258310970.db2.gz SXZMOMJZCIUPCV-INIZCTEOSA-N 2 2 364.515 1.222 10 0 FDAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CC[C@H](N4CCOCC4)C3)c2cc1C ZINC000173932211 258314597 /nfs/dbraw/zinc/31/45/97/258314597.db2.gz GPIKBIPZWCGKFJ-ZWKOTPCHSA-N 2 2 358.486 1.421 10 0 FDAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CC[C@H](N4CCOCC4)C3)c2cc1C ZINC000173932211 258314598 /nfs/dbraw/zinc/31/45/98/258314598.db2.gz GPIKBIPZWCGKFJ-ZWKOTPCHSA-N 2 2 358.486 1.421 10 0 FDAELP CC[NH+]1CCN(c2ccc(C(=O)N3CC[C@H]([NH+]4CCOCC4)C3)cc2)CC1 ZINC000173978328 258316315 /nfs/dbraw/zinc/31/63/15/258316315.db2.gz LHEBOUPQIRJFMX-FQEVSTJZSA-N 2 2 372.513 1.375 10 0 FDAELP Cc1ccc([C@@H](CNC(=O)NC[C@H]2CCC[N@@H+]2C)[NH+]2CCOCC2)s1 ZINC000178606473 258329806 /nfs/dbraw/zinc/32/98/06/258329806.db2.gz RIABPFHELMLOMP-HZPDHXFCSA-N 2 2 366.531 1.823 10 0 FDAELP C[C@@H](C(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1)[NH+]1CCSCC1 ZINC000179168645 258345563 /nfs/dbraw/zinc/34/55/63/258345563.db2.gz LEIKNIGOZSWPIM-WMZOPIPTSA-N 2 2 363.527 1.302 10 0 FDAELP CC[NH+]1CCC([NH2+]Cc2ccccc2S(=O)(=O)N2CCOCC2)CC1 ZINC000328810067 259059963 /nfs/dbraw/zinc/05/99/63/259059963.db2.gz DRLAUPFUOVATRZ-UHFFFAOYSA-N 2 2 367.515 1.281 10 0 FDAELP C[C@@H]1C[N@@H+](C2CCN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)CC2)CCO1 ZINC000329092541 259077216 /nfs/dbraw/zinc/07/72/16/259077216.db2.gz AEYBIUOAMKNQMQ-OAHLLOKOSA-N 2 2 355.442 1.593 10 0 FDAELP C[C@@H]1C[N@H+](C2CCN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)CC2)CCO1 ZINC000329092541 259077217 /nfs/dbraw/zinc/07/72/17/259077217.db2.gz AEYBIUOAMKNQMQ-OAHLLOKOSA-N 2 2 355.442 1.593 10 0 FDAELP [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)[C@H]3COCC[N@@H+]3CC3CCC3)CC2)C1 ZINC000333312417 259333968 /nfs/dbraw/zinc/33/39/68/259333968.db2.gz SBDTXMQEZHYOCU-GUDVDZBRSA-N 2 2 365.518 1.232 10 0 FDAELP [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)[C@H]3COCC[N@H+]3CC3CCC3)CC2)C1 ZINC000333312417 259333970 /nfs/dbraw/zinc/33/39/70/259333970.db2.gz SBDTXMQEZHYOCU-GUDVDZBRSA-N 2 2 365.518 1.232 10 0 FDAELP CCOC(=O)C1CCN(C(=O)[C@H](C)[NH+]2CCC([NH+]3CCCC3)CC2)CC1 ZINC000051952215 523095953 /nfs/dbraw/zinc/09/59/53/523095953.db2.gz JQGWUAJJYZVBKS-INIZCTEOSA-N 2 2 365.518 1.737 10 0 FDAELP CCC(CC)[C@@H](CNC(=O)NC[C@H](C)[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000077746723 523444353 /nfs/dbraw/zinc/44/43/53/523444353.db2.gz HSZZGVUCTKEUQE-FUHWJXTLSA-N 2 2 370.538 1.143 10 0 FDAELP C[N@@H+]1CCO[C@@H](CNC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000111587863 524304206 /nfs/dbraw/zinc/30/42/06/524304206.db2.gz JPQRAPPOQLTKQX-IBGZPJMESA-N 2 2 360.502 1.036 10 0 FDAELP C[N@H+]1CCO[C@@H](CNC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000111587863 524304209 /nfs/dbraw/zinc/30/42/09/524304209.db2.gz JPQRAPPOQLTKQX-IBGZPJMESA-N 2 2 360.502 1.036 10 0 FDAELP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@H]2C[N@H+](C)CCO2)cc1 ZINC000122138271 524459257 /nfs/dbraw/zinc/45/92/57/524459257.db2.gz APHMMVYDQBNECD-KSSFIOAISA-N 2 2 357.458 1.872 10 0 FDAELP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000122138271 524459272 /nfs/dbraw/zinc/45/92/72/524459272.db2.gz APHMMVYDQBNECD-KSSFIOAISA-N 2 2 357.458 1.872 10 0 FDAELP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000174378181 524558549 /nfs/dbraw/zinc/55/85/49/524558549.db2.gz ZIBXSOPPKQYBDL-FUHWJXTLSA-N 2 2 361.486 1.255 10 0 FDAELP CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000112921734 524598378 /nfs/dbraw/zinc/59/83/78/524598378.db2.gz IZUXOHUFXBFYCV-ICSRJNTNSA-N 2 2 360.546 1.549 10 0 FDAELP CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000112921734 524598380 /nfs/dbraw/zinc/59/83/80/524598380.db2.gz IZUXOHUFXBFYCV-ICSRJNTNSA-N 2 2 360.546 1.549 10 0 FDAELP CNC(=O)c1cccc(C[NH+]2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)c1 ZINC000113932487 524727201 /nfs/dbraw/zinc/72/72/01/524727201.db2.gz DGXOENCEBSWAQT-FQEVSTJZSA-N 2 2 374.529 1.273 10 0 FDAELP CNC(=O)c1cccc(C[NH+]2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)c1 ZINC000113932487 524727210 /nfs/dbraw/zinc/72/72/10/524727210.db2.gz DGXOENCEBSWAQT-FQEVSTJZSA-N 2 2 374.529 1.273 10 0 FDAELP Cn1cc(C[N@@H+]2CCCN(C(=O)NC[C@@H](c3ccco3)[NH+](C)C)CC2)cn1 ZINC000115783462 525059009 /nfs/dbraw/zinc/05/90/09/525059009.db2.gz IWSNDRVFWKIJFU-KRWDZBQOSA-N 2 2 374.489 1.533 10 0 FDAELP Cn1cc(C[N@H+]2CCCN(C(=O)NC[C@@H](c3ccco3)[NH+](C)C)CC2)cn1 ZINC000115783462 525059018 /nfs/dbraw/zinc/05/90/18/525059018.db2.gz IWSNDRVFWKIJFU-KRWDZBQOSA-N 2 2 374.489 1.533 10 0 FDAELP C[NH+](C)CCCOC1CCN(c2cc(N3CCC[C@@H]3CO)nc[nH+]2)CC1 ZINC000176815719 525183576 /nfs/dbraw/zinc/18/35/76/525183576.db2.gz UAKFFKDTVWYADM-MRXNPFEDSA-N 2 2 363.506 1.375 10 0 FDAELP C[NH+](C)CCCOC1CCN(c2cc(N3CCC[C@@H]3CO)[nH+]cn2)CC1 ZINC000176815719 525183585 /nfs/dbraw/zinc/18/35/85/525183585.db2.gz UAKFFKDTVWYADM-MRXNPFEDSA-N 2 2 363.506 1.375 10 0 FDAELP C[NH+](C)C[C@@H]1CN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CCO1 ZINC000117029392 525270228 /nfs/dbraw/zinc/27/02/28/525270228.db2.gz XUQHGIZKZGXPBV-QGZVFWFLSA-N 2 2 361.490 1.544 10 0 FDAELP C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000105283549 525489343 /nfs/dbraw/zinc/48/93/43/525489343.db2.gz HQYUWOPOSWCBKD-QZTJIDSGSA-N 2 2 352.523 1.615 10 0 FDAELP C[N@H+]1CCO[C@H](CNC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000105283549 525489350 /nfs/dbraw/zinc/48/93/50/525489350.db2.gz HQYUWOPOSWCBKD-QZTJIDSGSA-N 2 2 352.523 1.615 10 0 FDAELP CCCN(CCC)C(=O)C[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000106122975 525619108 /nfs/dbraw/zinc/61/91/08/525619108.db2.gz HDGJSZPHCCWJIM-IBGZPJMESA-N 2 2 368.566 1.362 10 0 FDAELP CCCN(CCC)C(=O)C[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000106122975 525619110 /nfs/dbraw/zinc/61/91/10/525619110.db2.gz HDGJSZPHCCWJIM-IBGZPJMESA-N 2 2 368.566 1.362 10 0 FDAELP C[N@H+](CC(=O)NCc1cccs1)C1CC[NH+](CCn2cccn2)CC1 ZINC000106130428 525623950 /nfs/dbraw/zinc/62/39/50/525623950.db2.gz ALTLRPPKZBXITJ-UHFFFAOYSA-N 2 2 361.515 1.657 10 0 FDAELP C[N@@H+](CC(=O)NCc1cccs1)C1CC[NH+](CCn2cccn2)CC1 ZINC000106130428 525623958 /nfs/dbraw/zinc/62/39/58/525623958.db2.gz ALTLRPPKZBXITJ-UHFFFAOYSA-N 2 2 361.515 1.657 10 0 FDAELP Cn1cc[nH+]c1CC1CC[NH+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000106162816 525645206 /nfs/dbraw/zinc/64/52/06/525645206.db2.gz NNAFMFTVDMESGC-UHFFFAOYSA-N 3 2 359.518 1.418 10 0 FDAELP C[NH+]1CCC(Oc2ccc(NC(=O)[C@H]3CCn4cc[nH+]c4C3)cn2)CC1 ZINC000154902929 525678068 /nfs/dbraw/zinc/67/80/68/525678068.db2.gz WTGVHCCDZYMFTR-AWEZNQCLSA-N 2 2 355.442 1.952 10 0 FDAELP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000106456090 525728442 /nfs/dbraw/zinc/72/84/42/525728442.db2.gz YRUGRZGPNJXYCP-IBGZPJMESA-N 2 2 367.497 1.945 10 0 FDAELP Cc1ccc([C@H](CNC(=O)N2CC[C@@H]([NH+](C)C)C2)[NH+]2CCOCC2)cc1 ZINC000170832581 525729066 /nfs/dbraw/zinc/72/90/66/525729066.db2.gz NZNSDXHQURWSSE-MOPGFXCFSA-N 2 2 360.502 1.714 10 0 FDAELP C[N@@H+]1CCO[C@H](CNC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)C1 ZINC000170924869 525773151 /nfs/dbraw/zinc/77/31/51/525773151.db2.gz LASAXLVTIVLAQA-MTCRFPMVSA-N 2 2 358.486 1.358 10 0 FDAELP C[N@H+]1CCO[C@H](CNC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)C1 ZINC000170924869 525773161 /nfs/dbraw/zinc/77/31/61/525773161.db2.gz LASAXLVTIVLAQA-MTCRFPMVSA-N 2 2 358.486 1.358 10 0 FDAELP C[NH+]1CCN([C@@H](C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c2ccccc2)CC1 ZINC000171451623 525999480 /nfs/dbraw/zinc/99/94/80/525999480.db2.gz UWLDGUGDMMFWIC-WOJBJXKFSA-N 2 2 356.514 1.672 10 0 FDAELP C[NH+]1CCN([C@@H](C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)c2ccccc2)CC1 ZINC000171451623 525999484 /nfs/dbraw/zinc/99/94/84/525999484.db2.gz UWLDGUGDMMFWIC-WOJBJXKFSA-N 2 2 356.514 1.672 10 0 FDAELP Cc1nc(C[NH+]2CCC(C(=O)NC[C@@H]3C[N@H+](C)CCO3)CC2)cs1 ZINC000109264640 526097607 /nfs/dbraw/zinc/09/76/07/526097607.db2.gz LGNVNVPDAVIGHT-MRXNPFEDSA-N 2 2 352.504 1.110 10 0 FDAELP Cc1nc(C[NH+]2CCC(C(=O)NC[C@@H]3C[N@@H+](C)CCO3)CC2)cs1 ZINC000109264640 526097618 /nfs/dbraw/zinc/09/76/18/526097618.db2.gz LGNVNVPDAVIGHT-MRXNPFEDSA-N 2 2 352.504 1.110 10 0 FDAELP Cn1cc(C[N@@H+]2CCCN(C(=O)[C@H](c3ccccc3)[NH+](C)C)CC2)cn1 ZINC000109659672 526158164 /nfs/dbraw/zinc/15/81/64/526158164.db2.gz MIEHEXJBRDLYDF-IBGZPJMESA-N 2 2 355.486 1.757 10 0 FDAELP Cn1cc(C[N@H+]2CCCN(C(=O)[C@H](c3ccccc3)[NH+](C)C)CC2)cn1 ZINC000109659672 526158171 /nfs/dbraw/zinc/15/81/71/526158171.db2.gz MIEHEXJBRDLYDF-IBGZPJMESA-N 2 2 355.486 1.757 10 0 FDAELP O=C(N[C@@H](C[NH+]1CCOCC1)c1ccccc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171899244 526170884 /nfs/dbraw/zinc/17/08/84/526170884.db2.gz LYMLQZBELAEIFN-MOPGFXCFSA-N 2 2 358.486 1.550 10 0 FDAELP O=C(N[C@@H](C[NH+]1CCOCC1)c1ccccc1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171899244 526170893 /nfs/dbraw/zinc/17/08/93/526170893.db2.gz LYMLQZBELAEIFN-MOPGFXCFSA-N 2 2 358.486 1.550 10 0 FDAELP O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000246355238 536934526 /nfs/dbraw/zinc/93/45/26/536934526.db2.gz DORVLDGEPWBFMQ-AEFFLSMTSA-N 2 2 368.547 1.074 10 0 FDAELP O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000246355238 536934531 /nfs/dbraw/zinc/93/45/31/536934531.db2.gz DORVLDGEPWBFMQ-AEFFLSMTSA-N 2 2 368.547 1.074 10 0 FDAELP C[NH+](C)[C@H](CNC(=O)NC[C@H]1C[N@H+](C)CCO1)c1ccccc1Cl ZINC000246454423 536956949 /nfs/dbraw/zinc/95/69/49/536956949.db2.gz PBYPBRSDLUYGJO-XJKSGUPXSA-N 2 2 354.882 1.573 10 0 FDAELP C[NH+](C)[C@H](CNC(=O)NC[C@H]1C[N@@H+](C)CCO1)c1ccccc1Cl ZINC000246454423 536956952 /nfs/dbraw/zinc/95/69/52/536956952.db2.gz PBYPBRSDLUYGJO-XJKSGUPXSA-N 2 2 354.882 1.573 10 0 FDAELP C[C@@H]1C[C@@H](NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000246527406 536973068 /nfs/dbraw/zinc/97/30/68/536973068.db2.gz KXQSWAQIMMBVTP-MISYRCLQSA-N 2 2 372.513 1.766 10 0 FDAELP C[C@@H]1C[C@@H](NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C[N@H+]1Cc1ccccc1 ZINC000246527406 536973073 /nfs/dbraw/zinc/97/30/73/536973073.db2.gz KXQSWAQIMMBVTP-MISYRCLQSA-N 2 2 372.513 1.766 10 0 FDAELP O=C(N[C@H](C[NH+]1CCOCC1)c1ccccc1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246537566 536976787 /nfs/dbraw/zinc/97/67/87/536976787.db2.gz XFEKDXNOFRMXTI-VQTJNVASSA-N 2 2 372.513 1.940 10 0 FDAELP O=C(N[C@H](C[NH+]1CCOCC1)c1ccccc1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000246537566 536976789 /nfs/dbraw/zinc/97/67/89/536976789.db2.gz XFEKDXNOFRMXTI-VQTJNVASSA-N 2 2 372.513 1.940 10 0 FDAELP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1c(F)ccc(I)c1F ZINC000263127979 536978410 /nfs/dbraw/zinc/97/84/10/536978410.db2.gz BJXUBBZWUWZLNX-WRWORJQWSA-N 2 2 368.165 1.239 10 0 FDAELP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000246795022 537027829 /nfs/dbraw/zinc/02/78/29/537027829.db2.gz ASXFXDNBCWSEBF-CEXWTWQISA-N 2 2 366.550 1.861 10 0 FDAELP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000246795022 537027832 /nfs/dbraw/zinc/02/78/32/537027832.db2.gz ASXFXDNBCWSEBF-CEXWTWQISA-N 2 2 366.550 1.861 10 0 FDAELP CCOCC[N@@H+]1CCN(C(=O)[C@H](C(C)C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000247046787 537074267 /nfs/dbraw/zinc/07/42/67/537074267.db2.gz JGFDETHPDDNVFQ-YRXWBPOGSA-N 2 2 369.550 1.689 10 0 FDAELP CCOCC[N@H+]1CCN(C(=O)[C@H](C(C)C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000247046787 537074270 /nfs/dbraw/zinc/07/42/70/537074270.db2.gz JGFDETHPDDNVFQ-YRXWBPOGSA-N 2 2 369.550 1.689 10 0 FDAELP CCOCC[NH+]1CCN(C(=O)[C@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000247046787 537074274 /nfs/dbraw/zinc/07/42/74/537074274.db2.gz JGFDETHPDDNVFQ-YRXWBPOGSA-N 2 2 369.550 1.689 10 0 FDAELP CCOCC[NH+]1CCN(C(=O)[C@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000247046787 537074279 /nfs/dbraw/zinc/07/42/79/537074279.db2.gz JGFDETHPDDNVFQ-YRXWBPOGSA-N 2 2 369.550 1.689 10 0 FDAELP CCOCC[N@@H+]1CCN(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)C[C@@H]1CC ZINC000247085764 537079230 /nfs/dbraw/zinc/07/92/30/537079230.db2.gz LQJIOYWQKXBPMD-KURKYZTESA-N 2 2 370.538 1.238 10 0 FDAELP CCOCC[N@H+]1CCN(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)C[C@@H]1CC ZINC000247085764 537079233 /nfs/dbraw/zinc/07/92/33/537079233.db2.gz LQJIOYWQKXBPMD-KURKYZTESA-N 2 2 370.538 1.238 10 0 FDAELP C[N@@H+](CC(=O)OC(C)(C)C)[C@@H]1CCCN(c2cc[nH+]cc2C(N)=O)CC1 ZINC000192268686 537222490 /nfs/dbraw/zinc/22/24/90/537222490.db2.gz YPAAZHQPVIERNV-CQSZACIVSA-N 2 2 362.474 1.813 10 0 FDAELP C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195281150 537388594 /nfs/dbraw/zinc/38/85/94/537388594.db2.gz QZADKOROBZZGJC-GOEBONIOSA-N 2 2 359.474 1.212 10 0 FDAELP C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195281150 537388603 /nfs/dbraw/zinc/38/86/03/537388603.db2.gz QZADKOROBZZGJC-GOEBONIOSA-N 2 2 359.474 1.212 10 0 FDAELP C[C@@H](C(=O)NC(=O)NC1CC1)[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195281150 537388609 /nfs/dbraw/zinc/38/86/09/537388609.db2.gz QZADKOROBZZGJC-GOEBONIOSA-N 2 2 359.474 1.212 10 0 FDAELP C[C@@H](C(=O)NC(=O)NC1CC1)[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195281150 537388617 /nfs/dbraw/zinc/38/86/17/537388617.db2.gz QZADKOROBZZGJC-GOEBONIOSA-N 2 2 359.474 1.212 10 0 FDAELP C[NH+]1CCN(Cc2ccc(C(=O)N3CC[N@@H+]4CCCC[C@H]4C3)cc2)CC1 ZINC000195318290 178257436 /nfs/dbraw/zinc/25/74/36/178257436.db2.gz DLWMQSFEMKYUKX-FQEVSTJZSA-N 2 2 356.514 1.744 10 0 FDAELP CN1CC[NH+](Cc2ccc(C(=O)N3CC[N@@H+]4CCCC[C@H]4C3)cc2)CC1 ZINC000195318290 178257445 /nfs/dbraw/zinc/25/74/45/178257445.db2.gz DLWMQSFEMKYUKX-FQEVSTJZSA-N 2 2 356.514 1.744 10 0 FDAELP CN1CC[NH+](Cc2ccc(C(=O)N3CC[N@H+]4CCCC[C@H]4C3)cc2)CC1 ZINC000195318290 178257448 /nfs/dbraw/zinc/25/74/48/178257448.db2.gz DLWMQSFEMKYUKX-FQEVSTJZSA-N 2 2 356.514 1.744 10 0 FDAELP CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[NH+]4C)CC2)C1 ZINC000245890088 178387177 /nfs/dbraw/zinc/38/71/77/178387177.db2.gz JISWSWUKJHAWDD-HTUJPFKRSA-N 3 2 363.550 1.423 10 0 FDAELP CC[NH+]1CCC[C@H](NC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1 ZINC000245890088 178387185 /nfs/dbraw/zinc/38/71/85/178387185.db2.gz JISWSWUKJHAWDD-HTUJPFKRSA-N 3 2 363.550 1.423 10 0 FDAELP COc1ccc(C[NH+]2CCC2)cc1OC[C@H](O)C[N@@H+]1CCCN(C)CC1 ZINC000108263667 206029852 /nfs/dbraw/zinc/02/98/52/206029852.db2.gz HZUXVNIQDJUHDL-GOSISDBHSA-N 2 2 363.502 1.278 10 0 FDAELP O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172750144 258283626 /nfs/dbraw/zinc/28/36/26/258283626.db2.gz DHWZIDNDGKURKO-UXHICEINSA-N 2 2 357.498 1.832 10 0 FDAELP O=C([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172750144 258283627 /nfs/dbraw/zinc/28/36/27/258283627.db2.gz DHWZIDNDGKURKO-UXHICEINSA-N 2 2 357.498 1.832 10 0 FDAELP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H]1C[N@H+](C)CCO1)c1ccsc1 ZINC000104783001 172385655 /nfs/dbraw/zinc/38/56/55/172385655.db2.gz QXZZYXGMNQRRRA-HZPDHXFCSA-N 2 2 354.520 1.761 10 0 FDAELP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1)c1ccsc1 ZINC000104783001 172385656 /nfs/dbraw/zinc/38/56/56/172385656.db2.gz QXZZYXGMNQRRRA-HZPDHXFCSA-N 2 2 354.520 1.761 10 0 FDAELP Cc1ccc([C@H](CNC(=O)NC[C@H]2C[N@H+](C)CCO2)[NH+]2CCCC2)cc1 ZINC000105207731 172399879 /nfs/dbraw/zinc/39/98/79/172399879.db2.gz FHRBDRVOTCFUMW-OALUTQOASA-N 2 2 360.502 1.762 10 0 FDAELP Cc1ccc([C@H](CNC(=O)NC[C@H]2C[N@@H+](C)CCO2)[NH+]2CCCC2)cc1 ZINC000105207731 172399881 /nfs/dbraw/zinc/39/98/81/172399881.db2.gz FHRBDRVOTCFUMW-OALUTQOASA-N 2 2 360.502 1.762 10 0 FDAELP CC[C@H]1CN(C(=O)NCCCNc2ccc(C)c[nH+]2)CC[N@@H+]1C[C@@H](C)O ZINC000133705583 173272132 /nfs/dbraw/zinc/27/21/32/173272132.db2.gz XWZRWIYKOLAHED-SJORKVTESA-N 2 2 363.506 1.679 10 0 FDAELP CC[C@H]1CN(C(=O)NCCCNc2ccc(C)c[nH+]2)CC[N@H+]1C[C@@H](C)O ZINC000133705583 173272133 /nfs/dbraw/zinc/27/21/33/173272133.db2.gz XWZRWIYKOLAHED-SJORKVTESA-N 2 2 363.506 1.679 10 0 FDAELP C[C@H](CNC(=O)NCC[N@H+](C)Cc1ccc(F)cc1)[NH+]1CCOCC1 ZINC000175603053 174014295 /nfs/dbraw/zinc/01/42/95/174014295.db2.gz UWWBZGMPYKDOBP-OAHLLOKOSA-N 2 2 352.454 1.277 10 0 FDAELP C[C@H](CNC(=O)NCC[N@@H+](C)Cc1ccc(F)cc1)[NH+]1CCOCC1 ZINC000175603053 174014297 /nfs/dbraw/zinc/01/42/97/174014297.db2.gz UWWBZGMPYKDOBP-OAHLLOKOSA-N 2 2 352.454 1.277 10 0 FDAELP Cc1ccc(NCCCNC(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)[nH+]c1 ZINC000175676094 174019695 /nfs/dbraw/zinc/01/96/95/174019695.db2.gz UIWSWUSXONBYKS-DLBZAZTESA-N 2 2 361.490 1.554 10 0 FDAELP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H]3CCCC[C@@H]3CO)CC2)CC1 ZINC000176020677 174045086 /nfs/dbraw/zinc/04/50/86/174045086.db2.gz NENHDRMICIXFII-QAPCUYQASA-N 2 2 352.523 1.395 10 0 FDAELP CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CC1 ZINC000173505947 258301497 /nfs/dbraw/zinc/30/14/97/258301497.db2.gz UDGQMLMTNMPXHH-ZWKOTPCHSA-N 2 2 351.539 1.140 10 0 FDAELP CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)CC1 ZINC000173505947 258301498 /nfs/dbraw/zinc/30/14/98/258301498.db2.gz UDGQMLMTNMPXHH-ZWKOTPCHSA-N 2 2 351.539 1.140 10 0 FDAELP CC[NH+]1CCN(C[C@@H](C)CNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CC1 ZINC000173505947 258301499 /nfs/dbraw/zinc/30/14/99/258301499.db2.gz UDGQMLMTNMPXHH-ZWKOTPCHSA-N 2 2 351.539 1.140 10 0 FDAELP CC[NH+]1CCN(C[C@@H](C)CNC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)CC1 ZINC000173505947 258301500 /nfs/dbraw/zinc/30/15/00/258301500.db2.gz UDGQMLMTNMPXHH-ZWKOTPCHSA-N 2 2 351.539 1.140 10 0 FDAELP O=C(NCc1ccccc1C[NH+]1CCCC1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173766642 258310096 /nfs/dbraw/zinc/31/00/96/258310096.db2.gz SNNZXGFPEJNESK-FQEVSTJZSA-N 2 2 372.513 1.899 10 0 FDAELP C[NH+](C)[C@H](CNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)c1cccs1 ZINC000173784351 258310390 /nfs/dbraw/zinc/31/03/90/258310390.db2.gz YOUDZUWZLMBBGA-LSDHHAIUSA-N 2 2 352.504 1.467 10 0 FDAELP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173779357 258310727 /nfs/dbraw/zinc/31/07/27/258310727.db2.gz DPWVXPASCAKDEC-WOJBJXKFSA-N 2 2 372.513 1.940 10 0 FDAELP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000173790888 258311165 /nfs/dbraw/zinc/31/11/65/258311165.db2.gz WKHTWQIZLIBFJR-SJORKVTESA-N 2 2 352.523 1.613 10 0 FDAELP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000173790888 258311166 /nfs/dbraw/zinc/31/11/66/258311166.db2.gz WKHTWQIZLIBFJR-SJORKVTESA-N 2 2 352.523 1.613 10 0 FDAELP CN(C(=O)NC[C@@H]1C[NH+](C)CCO1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000174241788 258321996 /nfs/dbraw/zinc/32/19/96/258321996.db2.gz HXYQDQASAQLAPY-RTBURBONSA-N 2 2 360.502 1.623 10 0 FDAELP CN(C(=O)NC[C@@H]1C[NH+](C)CCO1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000174241788 258321997 /nfs/dbraw/zinc/32/19/97/258321997.db2.gz HXYQDQASAQLAPY-RTBURBONSA-N 2 2 360.502 1.623 10 0 FDAELP CN(C(=O)NC[C@@H]1C[N@H+](C)CCO1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000174241788 258321998 /nfs/dbraw/zinc/32/19/98/258321998.db2.gz HXYQDQASAQLAPY-RTBURBONSA-N 2 2 360.502 1.623 10 0 FDAELP CN(C(=O)NC[C@@H]1C[N@@H+](C)CCO1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000174241788 258321999 /nfs/dbraw/zinc/32/19/99/258321999.db2.gz HXYQDQASAQLAPY-RTBURBONSA-N 2 2 360.502 1.623 10 0 FDAELP Cc1cc(COCC(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)on1 ZINC000328752390 259056765 /nfs/dbraw/zinc/05/67/65/259056765.db2.gz RXVPOGZQSKDZGC-HNNXBMFYSA-N 2 2 350.463 1.127 10 0 FDAELP Cc1cc(COCC(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)on1 ZINC000328752390 259056766 /nfs/dbraw/zinc/05/67/66/259056766.db2.gz RXVPOGZQSKDZGC-HNNXBMFYSA-N 2 2 350.463 1.127 10 0 FDAELP Cc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2CC(=O)NCC(C)(C)C[NH+](C)C)cc1 ZINC000012458513 518615522 /nfs/dbraw/zinc/61/55/22/518615522.db2.gz HIVWBDVGPBKWCO-SFHVURJKSA-N 2 2 374.529 1.390 10 0 FDAELP Cc1ccc(C[N@H+]2CCNC(=O)[C@@H]2CC(=O)NCC(C)(C)C[NH+](C)C)cc1 ZINC000012458513 518615531 /nfs/dbraw/zinc/61/55/31/518615531.db2.gz HIVWBDVGPBKWCO-SFHVURJKSA-N 2 2 374.529 1.390 10 0 FDAELP C[C@@H](CNC(=O)NCC1([NH+]2CCOCC2)CCCCC1)[NH+]1CCOCC1 ZINC000047793324 522601633 /nfs/dbraw/zinc/60/16/33/522601633.db2.gz LZUIHNKNQRQQKT-KRWDZBQOSA-N 2 2 368.522 1.041 10 0 FDAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](Cc3cnn(C(C)(C)C)c3)CC2)C1 ZINC000121072720 524145578 /nfs/dbraw/zinc/14/55/78/524145578.db2.gz XGQYNDFVNSAHSR-IBGZPJMESA-N 2 2 363.550 1.865 10 0 FDAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](Cc3cnn(C(C)(C)C)c3)CC2)C1 ZINC000121072720 524145585 /nfs/dbraw/zinc/14/55/85/524145585.db2.gz XGQYNDFVNSAHSR-IBGZPJMESA-N 2 2 363.550 1.865 10 0 FDAELP CCOCC[N@@H+]1CCN(c2cc(N3CCC[C@@H]3CO)[nH+]cn2)C[C@H]1CC ZINC000172328758 524202490 /nfs/dbraw/zinc/20/24/90/524202490.db2.gz KCWBFSVHDGIVLV-IAGOWNOFSA-N 2 2 363.506 1.375 10 0 FDAELP CCOCC[N@H+]1CCN(c2cc(N3CCC[C@@H]3CO)[nH+]cn2)C[C@H]1CC ZINC000172328758 524202491 /nfs/dbraw/zinc/20/24/91/524202491.db2.gz KCWBFSVHDGIVLV-IAGOWNOFSA-N 2 2 363.506 1.375 10 0 FDAELP Cc1c[nH+]ccc1NC(=O)N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000121535284 524286474 /nfs/dbraw/zinc/28/64/74/524286474.db2.gz OWDNISYSNBPHMV-KRWDZBQOSA-N 2 2 361.490 1.649 10 0 FDAELP Cc1c[nH+]ccc1NC(=O)N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000121535284 524286483 /nfs/dbraw/zinc/28/64/83/524286483.db2.gz OWDNISYSNBPHMV-KRWDZBQOSA-N 2 2 361.490 1.649 10 0 FDAELP Cc1cc(N2CCC[C@H]([NH2+]Cc3c[nH+]c4c(C)cccn34)C2=O)n(C)n1 ZINC000173854473 524471360 /nfs/dbraw/zinc/47/13/60/524471360.db2.gz ZOKFLYVBHAIIOX-INIZCTEOSA-N 2 2 352.442 1.970 10 0 FDAELP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000113270867 524658901 /nfs/dbraw/zinc/65/89/01/524658901.db2.gz FIDBUKGDAQBPAF-IAGOWNOFSA-N 2 2 362.543 1.561 10 0 FDAELP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000113270867 524658912 /nfs/dbraw/zinc/65/89/12/524658912.db2.gz FIDBUKGDAQBPAF-IAGOWNOFSA-N 2 2 362.543 1.561 10 0 FDAELP CN(C(=O)NC[C@@H]1C[N@H+](C)CCO1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000113616734 524707836 /nfs/dbraw/zinc/70/78/36/524707836.db2.gz RCOHIUCCABODAV-LJQANCHMSA-N 2 2 360.502 1.623 10 0 FDAELP CN(C(=O)NC[C@@H]1C[N@@H+](C)CCO1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000113616734 524707845 /nfs/dbraw/zinc/70/78/45/524707845.db2.gz RCOHIUCCABODAV-LJQANCHMSA-N 2 2 360.502 1.623 10 0 FDAELP COC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(C[NH+]2CCC[C@H]2C(=O)OC)cc1 ZINC000114454350 524804812 /nfs/dbraw/zinc/80/48/12/524804812.db2.gz FQJSNQXKKZPXAX-HDICACEKSA-N 2 2 360.454 1.961 10 0 FDAELP COC(=O)[C@H]1CCC[N@H+]1Cc1ccc(C[NH+]2CCC[C@H]2C(=O)OC)cc1 ZINC000114454350 524804816 /nfs/dbraw/zinc/80/48/16/524804816.db2.gz FQJSNQXKKZPXAX-HDICACEKSA-N 2 2 360.454 1.961 10 0 FDAELP COC(=O)[C@H]1CCC[NH+]1Cc1ccc(C[N@@H+]2CCC[C@H]2C(=O)OC)cc1 ZINC000114454350 524804821 /nfs/dbraw/zinc/80/48/21/524804821.db2.gz FQJSNQXKKZPXAX-HDICACEKSA-N 2 2 360.454 1.961 10 0 FDAELP COC(=O)[C@H]1CCC[NH+]1Cc1ccc(C[N@H+]2CCC[C@H]2C(=O)OC)cc1 ZINC000114454350 524804822 /nfs/dbraw/zinc/80/48/22/524804822.db2.gz FQJSNQXKKZPXAX-HDICACEKSA-N 2 2 360.454 1.961 10 0 FDAELP Cc1ccc([C@H](CNC(=O)N2CC[C@@H]([NH+](C)C)C2)[NH+]2CCOCC2)s1 ZINC000175011619 524833756 /nfs/dbraw/zinc/83/37/56/524833756.db2.gz VSCIJFZNKMKKMP-CVEARBPZSA-N 2 2 366.531 1.775 10 0 FDAELP COCC[N@@H+]1CCN(C(=O)NCC[NH+]2CCc3ccccc3C2)C[C@@H]1C ZINC000117477604 525345569 /nfs/dbraw/zinc/34/55/69/525345569.db2.gz IHFILBIHIXPZLI-KRWDZBQOSA-N 2 2 360.502 1.407 10 0 FDAELP COCC[N@H+]1CCN(C(=O)NCC[NH+]2CCc3ccccc3C2)C[C@@H]1C ZINC000117477604 525345577 /nfs/dbraw/zinc/34/55/77/525345577.db2.gz IHFILBIHIXPZLI-KRWDZBQOSA-N 2 2 360.502 1.407 10 0 FDAELP COCC[NH+]1CCN(C(=O)NCC[N@@H+]2CCc3ccccc3C2)C[C@@H]1C ZINC000117477604 525345583 /nfs/dbraw/zinc/34/55/83/525345583.db2.gz IHFILBIHIXPZLI-KRWDZBQOSA-N 2 2 360.502 1.407 10 0 FDAELP COCC[NH+]1CCN(C(=O)NCC[N@H+]2CCc3ccccc3C2)C[C@@H]1C ZINC000117477604 525345590 /nfs/dbraw/zinc/34/55/90/525345590.db2.gz IHFILBIHIXPZLI-KRWDZBQOSA-N 2 2 360.502 1.407 10 0 FDAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](Cc3cccc(C(N)=O)c3)CC2)C1 ZINC000106121514 525613821 /nfs/dbraw/zinc/61/38/21/525613821.db2.gz LREMECUEJCBPPQ-IBGZPJMESA-N 2 2 360.502 1.012 10 0 FDAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](Cc3cccc(C(N)=O)c3)CC2)C1 ZINC000106121514 525613829 /nfs/dbraw/zinc/61/38/29/525613829.db2.gz LREMECUEJCBPPQ-IBGZPJMESA-N 2 2 360.502 1.012 10 0 FDAELP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000106427931 525723434 /nfs/dbraw/zinc/72/34/34/525723434.db2.gz ZUVDHXQHKPNPEF-FQEVSTJZSA-N 2 2 352.482 1.899 10 0 FDAELP CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[NH+](Cc3cscn3)CC2)C1 ZINC000171316944 525945636 /nfs/dbraw/zinc/94/56/36/525945636.db2.gz KFZCJLSUOFTGSE-HNNXBMFYSA-N 2 2 351.520 1.845 10 0 FDAELP CC[N@H+]1CCC[C@H](NC(=O)N2CCC[NH+](Cc3cscn3)CC2)C1 ZINC000171316944 525945637 /nfs/dbraw/zinc/94/56/37/525945637.db2.gz KFZCJLSUOFTGSE-HNNXBMFYSA-N 2 2 351.520 1.845 10 0 FDAELP CC[NH+]1CCC[C@H](NC(=O)N2CCC[N@H+](Cc3cscn3)CC2)C1 ZINC000171316944 525945638 /nfs/dbraw/zinc/94/56/38/525945638.db2.gz KFZCJLSUOFTGSE-HNNXBMFYSA-N 2 2 351.520 1.845 10 0 FDAELP CC[NH+]1CCC[C@H](NC(=O)N2CCC[N@@H+](Cc3cscn3)CC2)C1 ZINC000171316944 525945646 /nfs/dbraw/zinc/94/56/46/525945646.db2.gz KFZCJLSUOFTGSE-HNNXBMFYSA-N 2 2 351.520 1.845 10 0 FDAELP Cc1cnn([C@H]2CCC[N@H+](CC(=O)N3CC[NH+](Cc4ccco4)CC3)C2)c1 ZINC000171530021 526023916 /nfs/dbraw/zinc/02/39/16/526023916.db2.gz QCLREGJWXPNKFQ-SFHVURJKSA-N 2 2 371.485 1.766 10 0 FDAELP Cc1cnn([C@H]2CCC[N@@H+](CC(=O)N3CC[NH+](Cc4ccco4)CC3)C2)c1 ZINC000171530021 526023929 /nfs/dbraw/zinc/02/39/29/526023929.db2.gz QCLREGJWXPNKFQ-SFHVURJKSA-N 2 2 371.485 1.766 10 0 FDAELP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCC[NH+]1CCc2sccc2C1 ZINC000184307931 536131018 /nfs/dbraw/zinc/13/10/18/536131018.db2.gz IKBALJRJBQZPPT-MRXNPFEDSA-N 2 2 351.516 1.723 10 0 FDAELP CCCC[N@H+]1CCOC[C@@H]1C(=O)NCC[NH+]1CCc2sccc2C1 ZINC000184307931 536131019 /nfs/dbraw/zinc/13/10/19/536131019.db2.gz IKBALJRJBQZPPT-MRXNPFEDSA-N 2 2 351.516 1.723 10 0 FDAELP CCCC[NH+]1CCOC[C@@H]1C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000184307931 536131022 /nfs/dbraw/zinc/13/10/22/536131022.db2.gz IKBALJRJBQZPPT-MRXNPFEDSA-N 2 2 351.516 1.723 10 0 FDAELP CCCC[NH+]1CCOC[C@@H]1C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000184307931 536131026 /nfs/dbraw/zinc/13/10/26/536131026.db2.gz IKBALJRJBQZPPT-MRXNPFEDSA-N 2 2 351.516 1.723 10 0 FDAELP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)NCCc2cn3ccccc3[nH+]2)CC1 ZINC000184779280 536182606 /nfs/dbraw/zinc/18/26/06/536182606.db2.gz JAVUJVYTGOXSBF-INIZCTEOSA-N 2 2 373.501 1.611 10 0 FDAELP CC[C@@H](O)C[NH+]1CCN(C(=O)NCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000184831471 536186422 /nfs/dbraw/zinc/18/64/22/536186422.db2.gz HYXAVDXKWKMHKK-LJQANCHMSA-N 2 2 360.502 1.143 10 0 FDAELP CC[C@@H](O)C[NH+]1CCN(C(=O)NCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000184831471 536186424 /nfs/dbraw/zinc/18/64/24/536186424.db2.gz HYXAVDXKWKMHKK-LJQANCHMSA-N 2 2 360.502 1.143 10 0 FDAELP CC(C)[C@H](CNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)[NH+]1CCN(C)CC1 ZINC000246479988 536962245 /nfs/dbraw/zinc/96/22/45/536962245.db2.gz RNFUFGGBNKIVMW-ROUUACIJSA-N 2 2 351.539 1.138 10 0 FDAELP CC(C)[C@H](CNC(=O)N1CC[N@H+]2CCCC[C@H]2C1)[NH+]1CCN(C)CC1 ZINC000246479988 536962249 /nfs/dbraw/zinc/96/22/49/536962249.db2.gz RNFUFGGBNKIVMW-ROUUACIJSA-N 2 2 351.539 1.138 10 0 FDAELP CC(C)[C@H](CNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)N1CC[NH+](C)CC1 ZINC000246479988 536962251 /nfs/dbraw/zinc/96/22/51/536962251.db2.gz RNFUFGGBNKIVMW-ROUUACIJSA-N 2 2 351.539 1.138 10 0 FDAELP CC(C)[C@H](CNC(=O)N1CC[N@H+]2CCCC[C@H]2C1)N1CC[NH+](C)CC1 ZINC000246479988 536962255 /nfs/dbraw/zinc/96/22/55/536962255.db2.gz RNFUFGGBNKIVMW-ROUUACIJSA-N 2 2 351.539 1.138 10 0 FDAELP CCC(CC)[C@H](C(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](CC)C1)[NH+]1CCOCC1 ZINC000246764601 537022033 /nfs/dbraw/zinc/02/20/33/537022033.db2.gz HXGFDTKSPYLPEX-YTQUADARSA-N 2 2 369.550 1.427 10 0 FDAELP CCC(CC)[C@H](C(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](CC)C1)[NH+]1CCOCC1 ZINC000246764601 537022036 /nfs/dbraw/zinc/02/20/36/537022036.db2.gz HXGFDTKSPYLPEX-YTQUADARSA-N 2 2 369.550 1.427 10 0 FDAELP C[C@@H]1CCC[C@@](CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)([NH+](C)C)C1 ZINC000246892954 537046196 /nfs/dbraw/zinc/04/61/96/537046196.db2.gz HFWQUEWAOMNSHX-ZHALLVOQSA-N 2 2 352.523 1.613 10 0 FDAELP O=C(N[C@H](C[NH+]1CCOCC1)c1ccccc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247492346 537125034 /nfs/dbraw/zinc/12/50/34/537125034.db2.gz LYMLQZBELAEIFN-RBUKOAKNSA-N 2 2 358.486 1.550 10 0 FDAELP O=C(N[C@H](C[NH+]1CCOCC1)c1ccccc1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000247492346 537125035 /nfs/dbraw/zinc/12/50/35/537125035.db2.gz LYMLQZBELAEIFN-RBUKOAKNSA-N 2 2 358.486 1.550 10 0 FDAELP CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000247545519 537131827 /nfs/dbraw/zinc/13/18/27/537131827.db2.gz YTVYLVVLILNNSN-DLBZAZTESA-N 2 2 361.486 1.558 10 0 FDAELP CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000247545519 537131831 /nfs/dbraw/zinc/13/18/31/537131831.db2.gz YTVYLVVLILNNSN-DLBZAZTESA-N 2 2 361.486 1.558 10 0 FDAELP CCOCC[N@@H+]1CCN(c2cc(N3CCCC[C@@H]3CO)[nH+]cn2)C[C@H]1C ZINC000249292489 537232156 /nfs/dbraw/zinc/23/21/56/537232156.db2.gz JIDDENYGYGAJPI-IAGOWNOFSA-N 2 2 363.506 1.375 10 0 FDAELP CCOCC[N@H+]1CCN(c2cc(N3CCCC[C@@H]3CO)[nH+]cn2)C[C@H]1C ZINC000249292489 537232159 /nfs/dbraw/zinc/23/21/59/537232159.db2.gz JIDDENYGYGAJPI-IAGOWNOFSA-N 2 2 363.506 1.375 10 0 FDAELP CC[N@H+](CC(=O)OC(C)(C)C)C1CCN(CC[NH+]2CCO[C@@H](C)C2)CC1 ZINC000249288134 537232343 /nfs/dbraw/zinc/23/23/43/537232343.db2.gz OWWGYXKDMJKCHI-KRWDZBQOSA-N 2 2 369.550 1.835 10 0 FDAELP CC[N@@H+](CC(=O)OC(C)(C)C)C1CCN(CC[NH+]2CCO[C@@H](C)C2)CC1 ZINC000249288134 537232344 /nfs/dbraw/zinc/23/23/44/537232344.db2.gz OWWGYXKDMJKCHI-KRWDZBQOSA-N 2 2 369.550 1.835 10 0 FDAELP CC[NH+](CC(=O)OC(C)(C)C)C1CCN(CC[N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000249288134 537232346 /nfs/dbraw/zinc/23/23/46/537232346.db2.gz OWWGYXKDMJKCHI-KRWDZBQOSA-N 2 2 369.550 1.835 10 0 FDAELP CC[N@H+](CC(=O)OC(C)(C)C)C1CCN(CC[NH+]2CCO[C@H](C)C2)CC1 ZINC000192847675 537234632 /nfs/dbraw/zinc/23/46/32/537234632.db2.gz OWWGYXKDMJKCHI-QGZVFWFLSA-N 2 2 369.550 1.835 10 0 FDAELP CC[N@@H+](CC(=O)OC(C)(C)C)C1CCN(CC[NH+]2CCO[C@H](C)C2)CC1 ZINC000192847675 537234633 /nfs/dbraw/zinc/23/46/33/537234633.db2.gz OWWGYXKDMJKCHI-QGZVFWFLSA-N 2 2 369.550 1.835 10 0 FDAELP CC[NH+](CC(=O)OC(C)(C)C)C1CCN(CC[N@@H+]2CCO[C@H](C)C2)CC1 ZINC000192847675 537234634 /nfs/dbraw/zinc/23/46/34/537234634.db2.gz OWWGYXKDMJKCHI-QGZVFWFLSA-N 2 2 369.550 1.835 10 0 FDAELP CC[NH+](CC(=O)OC(C)(C)C)C1CCN(CC[N@H+]2CCO[C@H](C)C2)CC1 ZINC000192847675 537234635 /nfs/dbraw/zinc/23/46/35/537234635.db2.gz OWWGYXKDMJKCHI-QGZVFWFLSA-N 2 2 369.550 1.835 10 0 FDAELP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000195507778 537415694 /nfs/dbraw/zinc/41/56/94/537415694.db2.gz PPVVQYNYCUWONB-INIZCTEOSA-N 2 2 368.485 1.721 10 0 FDAELP CS(=O)(=O)N1CCC[C@@H](C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)C1 ZINC000246193434 537664444 /nfs/dbraw/zinc/66/44/44/537664444.db2.gz IPFJVGLVVIOTNC-HOTGVXAUSA-N 2 2 352.504 1.487 10 0 FDAELP CS(=O)(=O)N1CCC[C@@H](C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)C1 ZINC000246193434 537664448 /nfs/dbraw/zinc/66/44/48/537664448.db2.gz IPFJVGLVVIOTNC-HOTGVXAUSA-N 2 2 352.504 1.487 10 0 FDAELP C[C@H]1C[N@H+](CC(=O)Nc2cccc(I)c2)C[C@H]1C[NH3+] ZINC000601325432 553376175 /nfs/dbraw/zinc/37/61/75/553376175.db2.gz CDTQKFTUVHUHJE-WDEREUQCSA-N 2 2 373.238 1.756 10 0 FDAELP C[C@H]1C[N@@H+](CC(=O)Nc2cccc(I)c2)C[C@H]1C[NH3+] ZINC000601325432 553376176 /nfs/dbraw/zinc/37/61/76/553376176.db2.gz CDTQKFTUVHUHJE-WDEREUQCSA-N 2 2 373.238 1.756 10 0 FDAELP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[N@H+](C)C[C@@H]2CCC[NH2+]C2)cc[nH+]1 ZINC000261814300 672676663 /nfs/dbraw/zinc/67/66/63/672676663.db2.gz QBVTYBWDHZGHOV-PMPSAXMXSA-N 3 2 350.486 1.391 10 0 FDAELP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)cc[nH+]1 ZINC000261814300 672676666 /nfs/dbraw/zinc/67/66/66/672676666.db2.gz QBVTYBWDHZGHOV-PMPSAXMXSA-N 3 2 350.486 1.391 10 0 FDAELP O=S(=O)(CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)Cc1ccccc1 ZINC000262023951 672713929 /nfs/dbraw/zinc/71/39/29/672713929.db2.gz WVDBWAKOBUFERM-KURKYZTESA-N 2 2 352.500 1.348 10 0 FDAELP Cn1ncc2c1nc[nH+]c2N1CCC[C@H]([N@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000192268787 178106319 /nfs/dbraw/zinc/10/63/19/178106319.db2.gz VHFSRVKLMRGXDW-AWEZNQCLSA-N 2 2 374.489 1.996 10 0 FDAELP Cn1ncc2c1nc[nH+]c2N1CCC[C@H]([N@@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000192268787 178106320 /nfs/dbraw/zinc/10/63/20/178106320.db2.gz VHFSRVKLMRGXDW-AWEZNQCLSA-N 2 2 374.489 1.996 10 0 FDAELP C[C@@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000073719802 172068010 /nfs/dbraw/zinc/06/80/10/172068010.db2.gz ISFJXWMWARVVDT-SJORKVTESA-N 2 2 352.523 1.803 10 0 FDAELP CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000077793617 172137838 /nfs/dbraw/zinc/13/78/38/172137838.db2.gz VTCMRPAKQUQTPL-DOTOQJQBSA-N 2 2 358.552 1.224 10 0 FDAELP C[C@@H](CNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)[NH+]1CCOCC1 ZINC000077793244 172137951 /nfs/dbraw/zinc/13/79/51/172137951.db2.gz AWSZZUWHKLPPRY-PKOBYXMFSA-N 2 2 360.502 1.843 10 0 FDAELP CCN1CC[NH+](CCCCNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CC1 ZINC000105135038 172396964 /nfs/dbraw/zinc/39/69/64/172396964.db2.gz SGHISHXJSZHUDR-SFHVURJKSA-N 2 2 351.539 1.284 10 0 FDAELP CCN1CC[NH+](CCCCNC(=O)N2CC[N@H+]3CCCC[C@H]3C2)CC1 ZINC000105135038 172396969 /nfs/dbraw/zinc/39/69/69/172396969.db2.gz SGHISHXJSZHUDR-SFHVURJKSA-N 2 2 351.539 1.284 10 0 FDAELP CC[NH+]1CCN(CCCCNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CC1 ZINC000105135038 172396973 /nfs/dbraw/zinc/39/69/73/172396973.db2.gz SGHISHXJSZHUDR-SFHVURJKSA-N 2 2 351.539 1.284 10 0 FDAELP CC[NH+]1CCN(CCCCNC(=O)N2CC[N@H+]3CCCC[C@H]3C2)CC1 ZINC000105135038 172396975 /nfs/dbraw/zinc/39/69/75/172396975.db2.gz SGHISHXJSZHUDR-SFHVURJKSA-N 2 2 351.539 1.284 10 0 FDAELP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000151294980 173397011 /nfs/dbraw/zinc/39/70/11/173397011.db2.gz FGTOFELJFAYTJN-DZGCQCFKSA-N 2 2 358.479 1.727 10 0 FDAELP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000151303238 173397138 /nfs/dbraw/zinc/39/71/38/173397138.db2.gz GYPHIDFBGKQLNW-GOEBONIOSA-N 2 2 355.504 1.092 10 0 FDAELP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000151341209 173398018 /nfs/dbraw/zinc/39/80/18/173398018.db2.gz DSKRAXWYWOXGHL-GDBMZVCRSA-N 2 2 355.504 1.092 10 0 FDAELP C[N@H+]1CC[C@H](NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)[C@@H]1c1ccccc1 ZINC000179267337 258347177 /nfs/dbraw/zinc/34/71/77/258347177.db2.gz LLHGZGDFKKFXRB-FHWLQOOXSA-N 2 2 358.486 1.548 10 0 FDAELP C[C@@H]1CN(C(=O)c2cc(=O)[nH]c(C3CC3)c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000329953161 259119528 /nfs/dbraw/zinc/11/95/28/259119528.db2.gz JEZWYHQPVCKYPY-CQSZACIVSA-N 2 2 358.486 1.905 10 0 FDAELP C[C@@H]1CN(C(=O)c2cc(=O)[nH]c(C3CC3)c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000329953161 259119529 /nfs/dbraw/zinc/11/95/29/259119529.db2.gz JEZWYHQPVCKYPY-CQSZACIVSA-N 2 2 358.486 1.905 10 0 FDAELP O=C([C@H]1CC[N@@H+]1Cc1ccccc1)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000333711523 259372843 /nfs/dbraw/zinc/37/28/43/259372843.db2.gz GLVTYWXJGMPUTG-RBUKOAKNSA-N 2 2 370.497 1.074 10 0 FDAELP O=C([C@H]1CC[N@H+]1Cc1ccccc1)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000333711523 259372844 /nfs/dbraw/zinc/37/28/44/259372844.db2.gz GLVTYWXJGMPUTG-RBUKOAKNSA-N 2 2 370.497 1.074 10 0 FDAELP Cc1[nH+]c2ccccc2n1C1CC[NH+](C[C@@H](O)CN2CCCC2=O)CC1 ZINC000373591841 261023476 /nfs/dbraw/zinc/02/34/76/261023476.db2.gz HIDPJECRCDFDFG-QGZVFWFLSA-N 2 2 356.470 1.965 10 0 FDAELP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000073722824 522594488 /nfs/dbraw/zinc/59/44/88/522594488.db2.gz SURBBVJAYPHQCR-ZWKOTPCHSA-N 2 2 354.539 1.859 10 0 FDAELP CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000052518861 523188726 /nfs/dbraw/zinc/18/87/26/523188726.db2.gz FIYAEVMMEQCFNE-MOPGFXCFSA-N 2 2 360.502 1.843 10 0 FDAELP CC[N@H+]1CCC[C@@H](NC(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000052518861 523188730 /nfs/dbraw/zinc/18/87/30/523188730.db2.gz FIYAEVMMEQCFNE-MOPGFXCFSA-N 2 2 360.502 1.843 10 0 FDAELP C[NH+](C)[C@H]1CCN(C(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)C1 ZINC000111896503 524373321 /nfs/dbraw/zinc/37/33/21/524373321.db2.gz RMTBKANPBRIJTC-OALUTQOASA-N 2 2 360.502 1.275 10 0 FDAELP C[C@@H](CNC(=O)N(CC[NH+](C)C)Cc1ccccc1F)[NH+]1CCOCC1 ZINC000122109776 524453483 /nfs/dbraw/zinc/45/34/83/524453483.db2.gz LCFRWIXACKAXDQ-INIZCTEOSA-N 2 2 366.481 1.620 10 0 FDAELP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000112921733 524597050 /nfs/dbraw/zinc/59/70/50/524597050.db2.gz IZUXOHUFXBFYCV-UYAOXDASSA-N 2 2 360.546 1.549 10 0 FDAELP CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000112921733 524597059 /nfs/dbraw/zinc/59/70/59/524597059.db2.gz IZUXOHUFXBFYCV-UYAOXDASSA-N 2 2 360.546 1.549 10 0 FDAELP Cc1cnn([C@@H]2CCC[N@@H+](Cc3cnc(N4CC[NH+](C)CC4)nc3)C2)c1 ZINC000123055985 524669200 /nfs/dbraw/zinc/66/92/00/524669200.db2.gz AHCWAXVNIMOVRH-GOSISDBHSA-N 2 2 355.490 1.570 10 0 FDAELP Cc1cnn([C@@H]2CCC[N@H+](Cc3cnc(N4CC[NH+](C)CC4)nc3)C2)c1 ZINC000123055985 524669210 /nfs/dbraw/zinc/66/92/10/524669210.db2.gz AHCWAXVNIMOVRH-GOSISDBHSA-N 2 2 355.490 1.570 10 0 FDAELP C[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000113512131 524692483 /nfs/dbraw/zinc/69/24/83/524692483.db2.gz YPKIOFPAMZYVPI-FQEVSTJZSA-N 3 2 358.530 1.782 10 0 FDAELP C[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000113512131 524692488 /nfs/dbraw/zinc/69/24/88/524692488.db2.gz YPKIOFPAMZYVPI-FQEVSTJZSA-N 3 2 358.530 1.782 10 0 FDAELP CC[NH+](CC)CCNC(=O)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000115781304 525058293 /nfs/dbraw/zinc/05/82/93/525058293.db2.gz IHLBGRPGXNIFJR-UHFFFAOYSA-N 2 2 350.511 1.206 10 0 FDAELP CCOCC[N@@H+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)C[C@@H]1CC ZINC000116769418 525208198 /nfs/dbraw/zinc/20/81/98/525208198.db2.gz BJGHTGRTEDYCCT-KRWDZBQOSA-N 2 2 357.458 1.840 10 0 FDAELP CCOCC[N@H+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)C[C@@H]1CC ZINC000116769418 525208202 /nfs/dbraw/zinc/20/82/02/525208202.db2.gz BJGHTGRTEDYCCT-KRWDZBQOSA-N 2 2 357.458 1.840 10 0 FDAELP C[NH+](C)C[C@H]1CN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CCO1 ZINC000117029395 525270420 /nfs/dbraw/zinc/27/04/20/525270420.db2.gz XUQHGIZKZGXPBV-KRWDZBQOSA-N 2 2 361.490 1.544 10 0 FDAELP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)CCO1 ZINC000117051892 525279015 /nfs/dbraw/zinc/27/90/15/525279015.db2.gz HVXFVVXUHCYFQT-CZUORRHYSA-N 2 2 370.444 1.540 10 0 FDAELP CC1(C(=O)NC[C@H]2C[NH+]3CCN2CC3)CC[NH+](Cc2ccccc2)CC1 ZINC000165216701 525545600 /nfs/dbraw/zinc/54/56/00/525545600.db2.gz FISSDBDIELJUEZ-IBGZPJMESA-N 2 2 356.514 1.405 10 0 FDAELP CC(C)CCNC(=O)[C@@H](C)[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000106121701 525613211 /nfs/dbraw/zinc/61/32/11/525613211.db2.gz FDANYMNWOLNUJB-RTBURBONSA-N 2 2 368.566 1.264 10 0 FDAELP CC(C)CCNC(=O)[C@@H](C)[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000106121701 525613216 /nfs/dbraw/zinc/61/32/16/525613216.db2.gz FDANYMNWOLNUJB-RTBURBONSA-N 2 2 368.566 1.264 10 0 FDAELP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000179751688 525622580 /nfs/dbraw/zinc/62/25/80/525622580.db2.gz RHKVDSIQZKURMA-LJQANCHMSA-N 2 2 373.501 1.414 10 0 FDAELP CN(C(=O)C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1)c1ccccc1 ZINC000106131012 525624245 /nfs/dbraw/zinc/62/42/45/525624245.db2.gz BGXAPBKSRNUWNG-UHFFFAOYSA-N 2 2 355.486 1.942 10 0 FDAELP CN(C(=O)C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1)c1ccccc1 ZINC000106131012 525624254 /nfs/dbraw/zinc/62/42/54/525624254.db2.gz BGXAPBKSRNUWNG-UHFFFAOYSA-N 2 2 355.486 1.942 10 0 FDAELP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)NC(=O)NC3CCCC3)C2)[nH+]1 ZINC000171652655 526059260 /nfs/dbraw/zinc/05/92/60/526059260.db2.gz GHPFNXNYVVZGBY-OAHLLOKOSA-N 2 2 359.474 1.892 10 0 FDAELP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)NC(=O)NC3CCCC3)C2)[nH+]1 ZINC000171652655 526059276 /nfs/dbraw/zinc/05/92/76/526059276.db2.gz GHPFNXNYVVZGBY-OAHLLOKOSA-N 2 2 359.474 1.892 10 0 FDAELP CN(C(=O)c1ccc2[nH+]ccn2c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000171934383 526185270 /nfs/dbraw/zinc/18/52/70/526185270.db2.gz KBPSDTOBCLEQOH-UHFFFAOYSA-N 2 2 352.442 1.767 10 0 FDAELP CC1(C)C[N@@H+](C2(CNC(=O)[C@H]3CC(F)(F)C[NH2+]3)CCCCC2)CCO1 ZINC000263226292 536995952 /nfs/dbraw/zinc/99/59/52/536995952.db2.gz MVWWXCQWNNNFBY-CQSZACIVSA-N 2 2 359.461 1.914 10 0 FDAELP CC1(C)C[N@H+](C2(CNC(=O)[C@H]3CC(F)(F)C[NH2+]3)CCCCC2)CCO1 ZINC000263226292 536995957 /nfs/dbraw/zinc/99/59/57/536995957.db2.gz MVWWXCQWNNNFBY-CQSZACIVSA-N 2 2 359.461 1.914 10 0 FDAELP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](c2cccs2)[NH+]2CCO[C@@H](C)C2)C1 ZINC000247092177 537080200 /nfs/dbraw/zinc/08/02/00/537080200.db2.gz VUPJDZJVTWHVEQ-JYJNAYRXSA-N 2 2 367.515 1.347 10 0 FDAELP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](c2cccs2)[NH+]2CCO[C@@H](C)C2)C1 ZINC000247092177 537080201 /nfs/dbraw/zinc/08/02/01/537080201.db2.gz VUPJDZJVTWHVEQ-JYJNAYRXSA-N 2 2 367.515 1.347 10 0 FDAELP CC[NH+]1CCO[C@H](C(=O)NC[C@@H](c2cccs2)[N@@H+]2CCO[C@@H](C)C2)C1 ZINC000247092177 537080205 /nfs/dbraw/zinc/08/02/05/537080205.db2.gz VUPJDZJVTWHVEQ-JYJNAYRXSA-N 2 2 367.515 1.347 10 0 FDAELP CC[NH+]1CCO[C@H](C(=O)NC[C@@H](c2cccs2)[N@H+]2CCO[C@@H](C)C2)C1 ZINC000247092177 537080209 /nfs/dbraw/zinc/08/02/09/537080209.db2.gz VUPJDZJVTWHVEQ-JYJNAYRXSA-N 2 2 367.515 1.347 10 0 FDAELP CC[C@H]1CN(C(=O)NC[C@H](C)Cn2cc[nH+]c2C)CC[N@@H+]1CCOC ZINC000247186607 537091661 /nfs/dbraw/zinc/09/16/61/537091661.db2.gz SDEYPMRDKAXGFU-RDJZCZTQSA-N 2 2 351.495 1.580 10 0 FDAELP CC[C@H]1CN(C(=O)NC[C@H](C)Cn2cc[nH+]c2C)CC[N@H+]1CCOC ZINC000247186607 537091662 /nfs/dbraw/zinc/09/16/62/537091662.db2.gz SDEYPMRDKAXGFU-RDJZCZTQSA-N 2 2 351.495 1.580 10 0 FDAELP COCC[N@@H+]1CCN(C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000247230745 537098795 /nfs/dbraw/zinc/09/87/95/537098795.db2.gz WGUJQBATVBBVLW-ULQDDVLXSA-N 2 2 370.538 1.236 10 0 FDAELP COCC[N@H+]1CCN(C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000247230745 537098797 /nfs/dbraw/zinc/09/87/97/537098797.db2.gz WGUJQBATVBBVLW-ULQDDVLXSA-N 2 2 370.538 1.236 10 0 FDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N[C@@H](C(=O)OC)[C@H](C)CC)C1 ZINC000247870867 537154545 /nfs/dbraw/zinc/15/45/45/537154545.db2.gz XMUBFNACGJTECF-IIDMSEBBSA-N 2 2 364.490 1.786 10 0 FDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N[C@@H](C(=O)OC)[C@H](C)CC)C1 ZINC000247870867 537154548 /nfs/dbraw/zinc/15/45/48/537154548.db2.gz XMUBFNACGJTECF-IIDMSEBBSA-N 2 2 364.490 1.786 10 0 FDAELP CC[C@@H]1CN(C(=O)NCc2ccccc2-n2cc[nH+]c2)CC[N@@H+]1C[C@H](C)O ZINC000248431099 537181309 /nfs/dbraw/zinc/18/13/09/537181309.db2.gz BJSSTNLWOGFVQU-FUHWJXTLSA-N 2 2 371.485 1.859 10 0 FDAELP CC[C@@H]1CN(C(=O)NCc2ccccc2-n2cc[nH+]c2)CC[N@H+]1C[C@H](C)O ZINC000248431099 537181312 /nfs/dbraw/zinc/18/13/12/537181312.db2.gz BJSSTNLWOGFVQU-FUHWJXTLSA-N 2 2 371.485 1.859 10 0 FDAELP COCCCNC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195256163 537380508 /nfs/dbraw/zinc/38/05/08/537380508.db2.gz SUMFOSNUXDKRBO-JKSUJKDBSA-N 2 2 368.547 1.746 10 0 FDAELP COCCCNC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195256163 537380515 /nfs/dbraw/zinc/38/05/15/537380515.db2.gz SUMFOSNUXDKRBO-JKSUJKDBSA-N 2 2 368.547 1.746 10 0 FDAELP COCCCNC(=O)[C@H](C)[NH+]1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195256163 537380522 /nfs/dbraw/zinc/38/05/22/537380522.db2.gz SUMFOSNUXDKRBO-JKSUJKDBSA-N 2 2 368.547 1.746 10 0 FDAELP COCCCNC(=O)[C@H](C)[NH+]1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000195256163 537380526 /nfs/dbraw/zinc/38/05/26/537380526.db2.gz SUMFOSNUXDKRBO-JKSUJKDBSA-N 2 2 368.547 1.746 10 0 FDAELP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195262020 537380589 /nfs/dbraw/zinc/38/05/89/537380589.db2.gz VNKVWWLZNIOBTL-UONOGXRCSA-N 2 2 367.519 1.439 10 0 FDAELP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195262020 537380595 /nfs/dbraw/zinc/38/05/95/537380595.db2.gz VNKVWWLZNIOBTL-UONOGXRCSA-N 2 2 367.519 1.439 10 0 FDAELP CCNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195262020 537380596 /nfs/dbraw/zinc/38/05/96/537380596.db2.gz VNKVWWLZNIOBTL-UONOGXRCSA-N 2 2 367.519 1.439 10 0 FDAELP CCNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000195262020 537380600 /nfs/dbraw/zinc/38/06/00/537380600.db2.gz VNKVWWLZNIOBTL-UONOGXRCSA-N 2 2 367.519 1.439 10 0 FDAELP Cn1cc[nH+]c1CN(C(=O)COC[C@H]1CCCO1)[C@@H]1CC12CC[NH2+]CC2 ZINC000582885092 551276894 /nfs/dbraw/zinc/27/68/94/551276894.db2.gz NTYFSJBNWLLWTK-HZPDHXFCSA-N 2 2 362.474 1.086 10 0 FDAELP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000284475647 571336468 /nfs/dbraw/zinc/33/64/68/571336468.db2.gz IPDZOWHDTGRBOT-CXAGYDPISA-N 2 2 358.833 1.831 10 0 FDAELP CCCn1c(CO)nn(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1=S ZINC000120567924 671692346 /nfs/dbraw/zinc/69/23/46/671692346.db2.gz CSXZRKGRTQYXCI-CQSZACIVSA-N 2 2 350.492 1.943 10 0 FDAELP CCCn1c(CO)nn(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1=S ZINC000120567924 671692348 /nfs/dbraw/zinc/69/23/48/671692348.db2.gz CSXZRKGRTQYXCI-CQSZACIVSA-N 2 2 350.492 1.943 10 0 FDAELP [NH3+]C[C@@H]1C[N@H+](CCNS(=O)(=O)c2ccccc2)C[C@H]1c1ccccc1 ZINC000261725163 672659289 /nfs/dbraw/zinc/65/92/89/672659289.db2.gz LMOIJNCQWOTDBY-MJGOQNOKSA-N 2 2 359.495 1.639 10 0 FDAELP [NH3+]C[C@@H]1C[N@@H+](CCNS(=O)(=O)c2ccccc2)C[C@H]1c1ccccc1 ZINC000261725163 672659291 /nfs/dbraw/zinc/65/92/91/672659291.db2.gz LMOIJNCQWOTDBY-MJGOQNOKSA-N 2 2 359.495 1.639 10 0 FDAELP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000245437917 178359052 /nfs/dbraw/zinc/35/90/52/178359052.db2.gz RURAZVIMPKVGEJ-MSOLQXFVSA-N 2 2 357.502 1.289 10 0 FDAELP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000245437917 178359054 /nfs/dbraw/zinc/35/90/54/178359054.db2.gz RURAZVIMPKVGEJ-MSOLQXFVSA-N 2 2 357.502 1.289 10 0 FDAELP C[C@@H](NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)[C@@H]1CCCO1 ZINC000245952642 178392129 /nfs/dbraw/zinc/39/21/29/178392129.db2.gz VVERQFGTNMYWJI-WKUFJEKOSA-N 2 2 350.507 1.506 10 0 FDAELP C[C@@H](NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)[C@@H]1CCCO1 ZINC000245952642 178392133 /nfs/dbraw/zinc/39/21/33/178392133.db2.gz VVERQFGTNMYWJI-WKUFJEKOSA-N 2 2 350.507 1.506 10 0 FDAELP COC(=O)c1ccccc1N(C)c1nc[nH+]c(NN2CC[NH+](C)CC2)c1N ZINC000040757035 205080695 /nfs/dbraw/zinc/08/06/95/205080695.db2.gz VZWCBEUVTKRTIE-UHFFFAOYSA-N 2 2 371.445 1.188 10 0 FDAELP CC[NH+]1CCN(c2nc[nH+]c(N3CCN(c4ccccc4)CC3)c2N)CC1 ZINC000040726511 136119946 /nfs/dbraw/zinc/11/99/46/136119946.db2.gz SKAKFGMTZHXGFR-UHFFFAOYSA-N 2 2 367.501 1.527 10 0 FDAELP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000173345681 258297026 /nfs/dbraw/zinc/29/70/26/258297026.db2.gz RCRPVVQBBYGJRK-WBVHZDCISA-N 2 2 369.531 1.434 10 0 FDAELP CNc1cc(N2CCC[C@H]2CNC(=O)N2CC[C@H]([NH+]3CCCC3)C2)nc[nH+]1 ZINC000173425293 258298876 /nfs/dbraw/zinc/29/88/76/258298876.db2.gz DNVJDHWDPLBXKW-HOTGVXAUSA-N 2 2 373.505 1.367 10 0 FDAELP CNc1cc(N2CCC[C@H]2CNC(=O)N2CC[C@H]([NH+]3CCCC3)C2)[nH+]cn1 ZINC000173425293 258298877 /nfs/dbraw/zinc/29/88/77/258298877.db2.gz DNVJDHWDPLBXKW-HOTGVXAUSA-N 2 2 373.505 1.367 10 0 FDAELP C[C@H]1C[N@@H+](C2CCN(C(=O)NCc3ccc[nH+]c3N(C)C)CC2)CCO1 ZINC000079599297 172163749 /nfs/dbraw/zinc/16/37/49/172163749.db2.gz XDBKQDUDSGXXFU-HNNXBMFYSA-N 2 2 361.490 1.542 10 0 FDAELP C[C@H]1C[N@H+](C2CCN(C(=O)NCc3ccc[nH+]c3N(C)C)CC2)CCO1 ZINC000079599297 172163751 /nfs/dbraw/zinc/16/37/51/172163751.db2.gz XDBKQDUDSGXXFU-HNNXBMFYSA-N 2 2 361.490 1.542 10 0 FDAELP C[C@H](CNC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1)[NH+]1CCOCC1 ZINC000103305031 172363547 /nfs/dbraw/zinc/36/35/47/172363547.db2.gz ZTRQAUDSEOOSJJ-RTBURBONSA-N 2 2 366.550 1.861 10 0 FDAELP C[NH+](C)CCCOc1ccc(CNC(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000104796503 172386590 /nfs/dbraw/zinc/38/65/90/172386590.db2.gz ODNSJYUDNAEXQL-GOSISDBHSA-N 2 2 364.490 1.147 10 0 FDAELP C[NH+](C)CCCOc1ccc(CNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000104796503 172386592 /nfs/dbraw/zinc/38/65/92/172386592.db2.gz ODNSJYUDNAEXQL-GOSISDBHSA-N 2 2 364.490 1.147 10 0 FDAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](CCN(C)c3ccccc3)CC2)C1 ZINC000131464598 173204500 /nfs/dbraw/zinc/20/45/00/173204500.db2.gz YUNAYWMNZWKVKG-OAQYLSRUSA-N 2 2 360.546 1.850 10 0 FDAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](CCN(C)c3ccccc3)CC2)C1 ZINC000131464598 173204503 /nfs/dbraw/zinc/20/45/03/173204503.db2.gz YUNAYWMNZWKVKG-OAQYLSRUSA-N 2 2 360.546 1.850 10 0 FDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000131502764 173204852 /nfs/dbraw/zinc/20/48/52/173204852.db2.gz OTWRPBMPURUHPR-JKSUJKDBSA-N 2 2 354.520 1.754 10 0 FDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000131502764 173204854 /nfs/dbraw/zinc/20/48/54/173204854.db2.gz OTWRPBMPURUHPR-JKSUJKDBSA-N 2 2 354.520 1.754 10 0 FDAELP CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)C[C@@H]1CSCC[NH2+]1 ZINC000133767368 173312648 /nfs/dbraw/zinc/31/26/48/173312648.db2.gz RYUGOLFOCRYQIH-HUUCEWRRSA-N 2 2 369.556 1.675 10 0 FDAELP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000151294902 173397119 /nfs/dbraw/zinc/39/71/19/173397119.db2.gz FGTOFELJFAYTJN-HIFRSBDPSA-N 2 2 358.479 1.727 10 0 FDAELP CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000175377892 174003211 /nfs/dbraw/zinc/00/32/11/174003211.db2.gz KWJUJDXZZPUCQX-CABCVRRESA-N 2 2 361.494 1.271 10 0 FDAELP CC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000175377892 174003213 /nfs/dbraw/zinc/00/32/13/174003213.db2.gz KWJUJDXZZPUCQX-CABCVRRESA-N 2 2 361.494 1.271 10 0 FDAELP CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000175377892 174003215 /nfs/dbraw/zinc/00/32/15/174003215.db2.gz KWJUJDXZZPUCQX-CABCVRRESA-N 2 2 361.494 1.271 10 0 FDAELP CC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000175377892 174003217 /nfs/dbraw/zinc/00/32/17/174003217.db2.gz KWJUJDXZZPUCQX-CABCVRRESA-N 2 2 361.494 1.271 10 0 FDAELP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000175688055 174020591 /nfs/dbraw/zinc/02/05/91/174020591.db2.gz ITVGCCFLVVDHSS-JZXOWHBKSA-N 2 2 363.506 1.865 10 0 FDAELP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000175688055 174020593 /nfs/dbraw/zinc/02/05/93/174020593.db2.gz ITVGCCFLVVDHSS-JZXOWHBKSA-N 2 2 363.506 1.865 10 0 FDAELP Cc1ccc([C@H](CNC(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)[NH+](C)C)cc1 ZINC000175723235 174023813 /nfs/dbraw/zinc/02/38/13/174023813.db2.gz QKVOAZRAWKDPNX-YZGWKJHDSA-N 2 2 374.529 1.960 10 0 FDAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](Cc3cnn4ccccc34)CC2)C1 ZINC000179514591 258353041 /nfs/dbraw/zinc/35/30/41/258353041.db2.gz LXHPEUAERIFQLH-IBGZPJMESA-N 2 2 357.502 1.561 10 0 FDAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](Cc3cnn4ccccc34)CC2)C1 ZINC000179514591 258353042 /nfs/dbraw/zinc/35/30/42/258353042.db2.gz LXHPEUAERIFQLH-IBGZPJMESA-N 2 2 357.502 1.561 10 0 FDAELP C[NH+](C)[C@@H](CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)C1CCCCC1 ZINC000173799244 258311822 /nfs/dbraw/zinc/31/18/22/258311822.db2.gz LVDHGEVTSMSQEZ-MSOLQXFVSA-N 2 2 352.523 1.613 10 0 FDAELP CC[NH+](CC)[C@@H](C)CNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000173829136 258312438 /nfs/dbraw/zinc/31/24/38/258312438.db2.gz AZVMHISOTANAAX-SFHVURJKSA-N 3 2 367.582 1.966 10 0 FDAELP C[NH+](C)[C@H](CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)c1ccc(F)cc1 ZINC000173892065 258313652 /nfs/dbraw/zinc/31/36/52/258313652.db2.gz OSCUYTFKFIDMMH-QZTJIDSGSA-N 2 2 364.465 1.545 10 0 FDAELP C[C@@H]1CCC[C@@](CNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)([NH+](C)C)C1 ZINC000173899316 258314227 /nfs/dbraw/zinc/31/42/27/258314227.db2.gz HFWQUEWAOMNSHX-ZIFCJYIRSA-N 2 2 352.523 1.613 10 0 FDAELP C[N@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)NCCCn2cc[nH+]c2)C1 ZINC000190678014 258390178 /nfs/dbraw/zinc/39/01/78/258390178.db2.gz JUFYDLVAQYTJAU-GOSISDBHSA-N 2 2 356.474 1.832 10 0 FDAELP CC(C)c1nc(NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)nc(N(C)C)[nH+]1 ZINC000301940998 259036260 /nfs/dbraw/zinc/03/62/60/259036260.db2.gz UNLVWHPGUWEUDT-KRWDZBQOSA-N 2 2 370.501 1.892 10 0 FDAELP CC(C)c1nc(NC[C@H](O)C[N@H+]2CCc3ccccc3C2)nc(N(C)C)[nH+]1 ZINC000301940998 259036261 /nfs/dbraw/zinc/03/62/61/259036261.db2.gz UNLVWHPGUWEUDT-KRWDZBQOSA-N 2 2 370.501 1.892 10 0 FDAELP Cc1cc(COCC(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)on1 ZINC000328752394 259056694 /nfs/dbraw/zinc/05/66/94/259056694.db2.gz RXVPOGZQSKDZGC-OAHLLOKOSA-N 2 2 350.463 1.127 10 0 FDAELP Cc1cc(COCC(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)on1 ZINC000328752394 259056695 /nfs/dbraw/zinc/05/66/95/259056695.db2.gz RXVPOGZQSKDZGC-OAHLLOKOSA-N 2 2 350.463 1.127 10 0 FDAELP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000330225261 259134193 /nfs/dbraw/zinc/13/41/93/259134193.db2.gz OCLXIWIUDBGASM-GDBMZVCRSA-N 2 2 372.473 1.158 10 0 FDAELP CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000333452443 259349742 /nfs/dbraw/zinc/34/97/42/259349742.db2.gz OAAZIQOMDTWQLS-AYBZRNKSSA-N 2 2 353.470 1.992 10 0 FDAELP CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000333452443 259349743 /nfs/dbraw/zinc/34/97/43/259349743.db2.gz OAAZIQOMDTWQLS-AYBZRNKSSA-N 2 2 353.470 1.992 10 0 FDAELP O=C(NCc1cn2c([nH+]1)CCCC2)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000077661226 523408096 /nfs/dbraw/zinc/40/80/96/523408096.db2.gz HDJGVUBLOXKBIK-HNNXBMFYSA-N 2 2 361.490 1.520 10 0 FDAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](Cc3cccc4c3OCO4)CC2)C1 ZINC000121036306 524132212 /nfs/dbraw/zinc/13/22/12/524132212.db2.gz BLXKEWAZRPAUAF-GOSISDBHSA-N 2 2 361.486 1.642 10 0 FDAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](Cc3cccc4c3OCO4)CC2)C1 ZINC000121036306 524132219 /nfs/dbraw/zinc/13/22/19/524132219.db2.gz BLXKEWAZRPAUAF-GOSISDBHSA-N 2 2 361.486 1.642 10 0 FDAELP CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccc(C[NH+](C)C)cc2)nc[nH+]1 ZINC000173432513 524385189 /nfs/dbraw/zinc/38/51/89/524385189.db2.gz JNEYGPJTDPBGPU-QGZVFWFLSA-N 2 2 368.485 1.979 10 0 FDAELP CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccc(C[NH+](C)C)cc2)[nH+]cn1 ZINC000173432513 524385196 /nfs/dbraw/zinc/38/51/96/524385196.db2.gz JNEYGPJTDPBGPU-QGZVFWFLSA-N 2 2 368.485 1.979 10 0 FDAELP CC(C)[C@H](CNC(=O)NC[C@H](C)[NH+]1CCOCC1)[NH+]1CCC(C)CC1 ZINC000121942206 524414025 /nfs/dbraw/zinc/41/40/25/524414025.db2.gz UYVYCWBWBGHYAD-ROUUACIJSA-N 2 2 354.539 1.763 10 0 FDAELP C[C@H](CNC(=O)CC[NH+]1CCN(c2ccccc2)CC1)[NH+]1CCOCC1 ZINC000174589932 524639863 /nfs/dbraw/zinc/63/98/63/524639863.db2.gz ZXGXUBOWGVYOCG-GOSISDBHSA-N 2 2 360.502 1.036 10 0 FDAELP CC[C@H](O)C[NH+]1CCN(Cc2c[nH+]c3ccc(Br)cn23)CC1 ZINC000123479680 524761353 /nfs/dbraw/zinc/76/13/53/524761353.db2.gz DSPCGSZBFAOJQB-HNNXBMFYSA-N 2 2 367.291 1.985 10 0 FDAELP CC[C@H](C)[N@H+](C)CCNC(=O)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000115677297 525043803 /nfs/dbraw/zinc/04/38/03/525043803.db2.gz OBRURJJHGQFBGT-HNNXBMFYSA-N 2 2 364.538 1.594 10 0 FDAELP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000115677297 525043813 /nfs/dbraw/zinc/04/38/13/525043813.db2.gz OBRURJJHGQFBGT-HNNXBMFYSA-N 2 2 364.538 1.594 10 0 FDAELP CCC[C@@H](C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1)[NH+](C)C ZINC000161785617 525169015 /nfs/dbraw/zinc/16/90/15/525169015.db2.gz GXLFPYLEOFZVMQ-IBGZPJMESA-N 2 2 363.502 1.744 10 0 FDAELP C[C@@H](NC(=O)Nc1ccccc1)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000177150507 525249218 /nfs/dbraw/zinc/24/92/18/525249218.db2.gz DUVWVLAEGJCDBN-OAHLLOKOSA-N 2 2 361.490 1.339 10 0 FDAELP CCOCC[N@@H+]1CCN(C(=O)NC[C@@H](C)C[NH+]2CCOCC2)C[C@H]1CC ZINC000163381432 525398903 /nfs/dbraw/zinc/39/89/03/525398903.db2.gz KOGKCSUPQPRIPD-QZTJIDSGSA-N 2 2 370.538 1.097 10 0 FDAELP CCOCC[N@H+]1CCN(C(=O)NC[C@@H](C)C[NH+]2CCOCC2)C[C@H]1CC ZINC000163381432 525398907 /nfs/dbraw/zinc/39/89/07/525398907.db2.gz KOGKCSUPQPRIPD-QZTJIDSGSA-N 2 2 370.538 1.097 10 0 FDAELP CCC(C)(C)NC(=O)[C@@H](C)[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000106121781 525613526 /nfs/dbraw/zinc/61/35/26/525613526.db2.gz MHGFYETXMJJIAJ-QZTJIDSGSA-N 2 2 368.566 1.407 10 0 FDAELP CCC(C)(C)NC(=O)[C@@H](C)[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000106121781 525613533 /nfs/dbraw/zinc/61/35/33/525613533.db2.gz MHGFYETXMJJIAJ-QZTJIDSGSA-N 2 2 368.566 1.407 10 0 FDAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](CC(=O)N3CCCCCC3)CC2)C1 ZINC000106124031 525616326 /nfs/dbraw/zinc/61/63/26/525616326.db2.gz UNHKQVYQBRSFGV-IBGZPJMESA-N 2 2 366.550 1.116 10 0 FDAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](CC(=O)N3CCCCCC3)CC2)C1 ZINC000106124031 525616337 /nfs/dbraw/zinc/61/63/37/525616337.db2.gz UNHKQVYQBRSFGV-IBGZPJMESA-N 2 2 366.550 1.116 10 0 FDAELP CNc1cc(N2CCC[C@@H]2C[NH2+]C2CCN(C(=O)N(C)C)CC2)nc[nH+]1 ZINC000181771690 525924356 /nfs/dbraw/zinc/92/43/56/525924356.db2.gz OIIZQVORXQIILL-OAHLLOKOSA-N 2 2 361.494 1.223 10 0 FDAELP CCOC(=O)[C@H](CC(C)C)[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000182138775 526069082 /nfs/dbraw/zinc/06/90/82/526069082.db2.gz VFHODITZJMXJER-MOPGFXCFSA-N 2 2 369.550 1.691 10 0 FDAELP CCOC(=O)[C@H](CC(C)C)[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000182138775 526069092 /nfs/dbraw/zinc/06/90/92/526069092.db2.gz VFHODITZJMXJER-MOPGFXCFSA-N 2 2 369.550 1.691 10 0 FDAELP O=C(NCc1ccccc1C[NH+]1CCOCC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171898863 526170628 /nfs/dbraw/zinc/17/06/28/526170628.db2.gz ZAAOWBMYRVALLQ-LJQANCHMSA-N 2 2 358.486 1.508 10 0 FDAELP O=C(NCc1ccccc1C[NH+]1CCOCC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171898863 526170635 /nfs/dbraw/zinc/17/06/35/526170635.db2.gz ZAAOWBMYRVALLQ-LJQANCHMSA-N 2 2 358.486 1.508 10 0 FDAELP CC[C@H](O)C[NH+]1CCN(C(=O)NCC[N@@H+]2CCc3sccc3C2)CC1 ZINC000184943931 536193108 /nfs/dbraw/zinc/19/31/08/536193108.db2.gz PYOZCZBZTDFBEA-INIZCTEOSA-N 2 2 366.531 1.204 10 0 FDAELP CC[C@H](O)C[NH+]1CCN(C(=O)NCC[N@H+]2CCc3sccc3C2)CC1 ZINC000184943931 536193109 /nfs/dbraw/zinc/19/31/09/536193109.db2.gz PYOZCZBZTDFBEA-INIZCTEOSA-N 2 2 366.531 1.204 10 0 FDAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000246346696 536933001 /nfs/dbraw/zinc/93/30/01/536933001.db2.gz OTWRPBMPURUHPR-CVEARBPZSA-N 2 2 354.520 1.754 10 0 FDAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000246346696 536933005 /nfs/dbraw/zinc/93/30/05/536933005.db2.gz OTWRPBMPURUHPR-CVEARBPZSA-N 2 2 354.520 1.754 10 0 FDAELP O=C(N[C@H](Cc1ccccc1)C[NH+]1CCOCC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246684436 537002741 /nfs/dbraw/zinc/00/27/41/537002741.db2.gz VTIUWRWNUWZGJS-UXHICEINSA-N 2 2 372.513 1.420 10 0 FDAELP O=C(N[C@H](Cc1ccccc1)C[NH+]1CCOCC1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000246684436 537002743 /nfs/dbraw/zinc/00/27/43/537002743.db2.gz VTIUWRWNUWZGJS-UXHICEINSA-N 2 2 372.513 1.420 10 0 FDAELP CC[C@H](C)[C@H](NC(=O)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C)C(=O)OC ZINC000247015415 537068971 /nfs/dbraw/zinc/06/89/71/537068971.db2.gz LNVKKUYFCRMVKQ-QRTARXTBSA-N 2 2 350.463 1.360 10 0 FDAELP CC[C@H](C)[C@H](NC(=O)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C)C(=O)OC ZINC000247015415 537068976 /nfs/dbraw/zinc/06/89/76/537068976.db2.gz LNVKKUYFCRMVKQ-QRTARXTBSA-N 2 2 350.463 1.360 10 0 FDAELP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000247046182 537074411 /nfs/dbraw/zinc/07/44/11/537074411.db2.gz GUTBGQRXECETKO-SOLBZPMBSA-N 2 2 368.547 1.072 10 0 FDAELP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000247046182 537074413 /nfs/dbraw/zinc/07/44/13/537074413.db2.gz GUTBGQRXECETKO-SOLBZPMBSA-N 2 2 368.547 1.072 10 0 FDAELP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000247736431 537147345 /nfs/dbraw/zinc/14/73/45/537147345.db2.gz MWUJMAYZRLLCNG-DLBZAZTESA-N 2 2 369.473 1.047 10 0 FDAELP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000247736431 537147347 /nfs/dbraw/zinc/14/73/47/537147347.db2.gz MWUJMAYZRLLCNG-DLBZAZTESA-N 2 2 369.473 1.047 10 0 FDAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](CCO[C@H]3CCCCO3)CC2)C1 ZINC000248835837 537215141 /nfs/dbraw/zinc/21/51/41/537215141.db2.gz OALLPYMMLDVPSM-MOPGFXCFSA-N 2 2 355.523 1.256 10 0 FDAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](CCO[C@H]3CCCCO3)CC2)C1 ZINC000248835837 537215142 /nfs/dbraw/zinc/21/51/42/537215142.db2.gz OALLPYMMLDVPSM-MOPGFXCFSA-N 2 2 355.523 1.256 10 0 FDAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)N2CCOCC2)C1 ZINC000195253328 537379181 /nfs/dbraw/zinc/37/91/81/537379181.db2.gz JEAOGDNMNKLTSU-INIZCTEOSA-N 2 2 366.531 1.454 10 0 FDAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)N2CCOCC2)C1 ZINC000195253328 537379195 /nfs/dbraw/zinc/37/91/95/537379195.db2.gz JEAOGDNMNKLTSU-INIZCTEOSA-N 2 2 366.531 1.454 10 0 FDAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)N2CCOCC2)C1 ZINC000195253328 537379200 /nfs/dbraw/zinc/37/92/00/537379200.db2.gz JEAOGDNMNKLTSU-INIZCTEOSA-N 2 2 366.531 1.454 10 0 FDAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)N2CCOCC2)C1 ZINC000195253328 537379204 /nfs/dbraw/zinc/37/92/04/537379204.db2.gz JEAOGDNMNKLTSU-INIZCTEOSA-N 2 2 366.531 1.454 10 0 FDAELP C[C@@H]1CC[N@H+](C[C@H](O)CN2C(=O)c3ccccc3C2=O)C[C@H]1n1cc[nH+]c1 ZINC000245596880 178370317 /nfs/dbraw/zinc/37/03/17/178370317.db2.gz LPMFHGNQTKPFAA-RVKKMQEKSA-N 2 2 368.437 1.423 10 0 FDAELP C[C@@H]1CC[N@@H+](C[C@H](O)CN2C(=O)c3ccccc3C2=O)C[C@H]1n1cc[nH+]c1 ZINC000245596880 178370319 /nfs/dbraw/zinc/37/03/19/178370319.db2.gz LPMFHGNQTKPFAA-RVKKMQEKSA-N 2 2 368.437 1.423 10 0 FDAELP C[NH+](C)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)C1 ZINC000170843993 258265100 /nfs/dbraw/zinc/26/51/00/258265100.db2.gz KRIRRXPIFHXLOB-OAHLLOKOSA-N 2 2 354.410 1.975 10 0 FDAELP CC[C@H]1CN(C(=O)NCc2cn3c(cccc3C)[nH+]2)CC[N@@H+]1CCOC ZINC000172336831 258274138 /nfs/dbraw/zinc/27/41/38/258274138.db2.gz FPGIMEKYPJVNBP-KRWDZBQOSA-N 2 2 359.474 1.895 10 0 FDAELP CC[C@H]1CN(C(=O)NCc2cn3c(cccc3C)[nH+]2)CC[N@H+]1CCOC ZINC000172336831 258274139 /nfs/dbraw/zinc/27/41/39/258274139.db2.gz FPGIMEKYPJVNBP-KRWDZBQOSA-N 2 2 359.474 1.895 10 0 FDAELP CN(C)c1[nH+]cnc(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c1N ZINC000040723606 136120005 /nfs/dbraw/zinc/12/00/05/136120005.db2.gz XYCJQQGAZNTZMI-UHFFFAOYSA-N 2 2 356.430 1.176 10 0 FDAELP C[C@H](CNC(=O)NC1CC[NH+](CC2CCCC2)CC1)[NH+]1CCOCC1 ZINC000068887163 172023891 /nfs/dbraw/zinc/02/38/91/172023891.db2.gz BKSHAMPNPNSCRQ-MRXNPFEDSA-N 2 2 352.523 1.661 10 0 FDAELP C[N@@H+]1CCO[C@H](CNC(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000104793567 172387308 /nfs/dbraw/zinc/38/73/08/172387308.db2.gz FMVVXYRCNNVOIX-MRXNPFEDSA-N 2 2 366.531 1.590 10 0 FDAELP C[N@H+]1CCO[C@H](CNC(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000104793567 172387309 /nfs/dbraw/zinc/38/73/09/172387309.db2.gz FMVVXYRCNNVOIX-MRXNPFEDSA-N 2 2 366.531 1.590 10 0 FDAELP CCN1CC[NH+](CCCCNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CC1 ZINC000105135034 172397842 /nfs/dbraw/zinc/39/78/42/172397842.db2.gz SGHISHXJSZHUDR-GOSISDBHSA-N 2 2 351.539 1.284 10 0 FDAELP CCN1CC[NH+](CCCCNC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)CC1 ZINC000105135034 172397845 /nfs/dbraw/zinc/39/78/45/172397845.db2.gz SGHISHXJSZHUDR-GOSISDBHSA-N 2 2 351.539 1.284 10 0 FDAELP CC[NH+]1CCN(CCCCNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CC1 ZINC000105135034 172397848 /nfs/dbraw/zinc/39/78/48/172397848.db2.gz SGHISHXJSZHUDR-GOSISDBHSA-N 2 2 351.539 1.284 10 0 FDAELP CC[NH+]1CCN(CCCCNC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)CC1 ZINC000105135034 172397850 /nfs/dbraw/zinc/39/78/50/172397850.db2.gz SGHISHXJSZHUDR-GOSISDBHSA-N 2 2 351.539 1.284 10 0 FDAELP CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)CC1 ZINC000177562624 174141725 /nfs/dbraw/zinc/14/17/25/174141725.db2.gz LITZNTZKJWPWTO-ZWKOTPCHSA-N 2 2 362.522 1.331 10 0 FDAELP CC[NH+]1CCN(C[C@@H](C)CNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)CC1 ZINC000177562624 174141727 /nfs/dbraw/zinc/14/17/27/174141727.db2.gz LITZNTZKJWPWTO-ZWKOTPCHSA-N 2 2 362.522 1.331 10 0 FDAELP C[C@@H]1C[N@@H+]([C@@H](CNC(=O)NC2CC[NH+](C)CC2)c2cccs2)CCO1 ZINC000178444191 174188299 /nfs/dbraw/zinc/18/82/99/174188299.db2.gz OSJJPDUEFBGRJG-ZBFHGGJFSA-N 2 2 366.531 1.903 10 0 FDAELP C[C@@H]1C[N@H+]([C@@H](CNC(=O)NC2CC[NH+](C)CC2)c2cccs2)CCO1 ZINC000178444191 174188303 /nfs/dbraw/zinc/18/83/03/174188303.db2.gz OSJJPDUEFBGRJG-ZBFHGGJFSA-N 2 2 366.531 1.903 10 0 FDAELP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000179293338 258347427 /nfs/dbraw/zinc/34/74/27/258347427.db2.gz DCZNKTNGMJBMKX-SJLPKXTDSA-N 3 2 351.539 1.281 10 0 FDAELP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000179293338 258347428 /nfs/dbraw/zinc/34/74/28/258347428.db2.gz DCZNKTNGMJBMKX-SJLPKXTDSA-N 3 2 351.539 1.281 10 0 FDAELP COc1cc2[nH+]c(NC[C@@H](c3cnn(C)c3)[NH+](C)C)nc(N)c2cc1OC ZINC000301298703 259025180 /nfs/dbraw/zinc/02/51/80/259025180.db2.gz SYYKBKKSBRKUAY-AWEZNQCLSA-N 2 2 371.445 1.678 10 0 FDAELP C[C@@H]1C[NH+](CCCNC(=O)C[N@@H+]2CCc3sccc3C2)C[C@@H](C)O1 ZINC000028174950 519223970 /nfs/dbraw/zinc/22/39/70/519223970.db2.gz LKDDFUMHRDJQIK-HUUCEWRRSA-N 2 2 351.516 1.722 10 0 FDAELP C[C@@H]1C[NH+](CCCNC(=O)C[N@H+]2CCc3sccc3C2)C[C@@H](C)O1 ZINC000028174950 519223980 /nfs/dbraw/zinc/22/39/80/519223980.db2.gz LKDDFUMHRDJQIK-HUUCEWRRSA-N 2 2 351.516 1.722 10 0 FDAELP Cc1cccc(C[NH+]2CCN(C(=O)NC[C@@H](C)[NH+]3CCOCC3)CC2)c1 ZINC000046264683 522265444 /nfs/dbraw/zinc/26/54/44/522265444.db2.gz LBGYANKQLJTAPT-GOSISDBHSA-N 2 2 360.502 1.543 10 0 FDAELP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000066533958 523099821 /nfs/dbraw/zinc/09/98/21/523099821.db2.gz KMVOQRDNWNAFLF-KRWDZBQOSA-N 2 2 372.517 1.074 10 0 FDAELP CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCC([NH+]3CCCC3)CC2)C1 ZINC000066533789 523100039 /nfs/dbraw/zinc/10/00/39/523100039.db2.gz SCAWQANWPQHZTD-IAGOWNOFSA-N 2 2 365.518 1.737 10 0 FDAELP C[C@@H](CNC(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1)[NH+]1CCOCC1 ZINC000077793377 523466457 /nfs/dbraw/zinc/46/64/57/523466457.db2.gz VWGOTUAHYUSLPF-GJZGRUSLSA-N 2 2 366.531 1.515 10 0 FDAELP C[C@@H](CNC(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1)[NH+]1CCOCC1 ZINC000077793377 523466462 /nfs/dbraw/zinc/46/64/62/523466462.db2.gz VWGOTUAHYUSLPF-GJZGRUSLSA-N 2 2 366.531 1.515 10 0 FDAELP COCC[N@@H+]1CCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)C[C@H]1C ZINC000172320475 524200137 /nfs/dbraw/zinc/20/01/37/524200137.db2.gz JMMTVPCIWQFKGZ-SJORKVTESA-N 2 2 364.490 1.779 10 0 FDAELP COCC[N@H+]1CCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)C[C@H]1C ZINC000172320475 524200144 /nfs/dbraw/zinc/20/01/44/524200144.db2.gz JMMTVPCIWQFKGZ-SJORKVTESA-N 2 2 364.490 1.779 10 0 FDAELP C[C@H](CNC(=O)N(CC[NH+](C)C)Cc1ccccc1F)[NH+]1CCOCC1 ZINC000122109949 524453823 /nfs/dbraw/zinc/45/38/23/524453823.db2.gz LCFRWIXACKAXDQ-MRXNPFEDSA-N 2 2 366.481 1.620 10 0 FDAELP CCC(CC)[C@H](C(=O)N1CC[N@H+](CCOC)[C@H](C)C1)[NH+]1CCOCC1 ZINC000173805164 524461170 /nfs/dbraw/zinc/46/11/70/524461170.db2.gz MJACOMMBSFRGDS-SJLPKXTDSA-N 2 2 355.523 1.303 10 0 FDAELP CCC(CC)[C@H](C(=O)N1CC[N@@H+](CCOC)[C@H](C)C1)[NH+]1CCOCC1 ZINC000173805164 524461176 /nfs/dbraw/zinc/46/11/76/524461176.db2.gz MJACOMMBSFRGDS-SJLPKXTDSA-N 2 2 355.523 1.303 10 0 FDAELP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)C[C@H]1[NH+]1CCOCC1 ZINC000173855567 524470536 /nfs/dbraw/zinc/47/05/36/524470536.db2.gz JVHRZHJMJPTDMK-YZGWKJHDSA-N 2 2 357.498 1.830 10 0 FDAELP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)C[C@H]1[NH+]1CCOCC1 ZINC000173855567 524470549 /nfs/dbraw/zinc/47/05/49/524470549.db2.gz JVHRZHJMJPTDMK-YZGWKJHDSA-N 2 2 357.498 1.830 10 0 FDAELP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000174378194 524558878 /nfs/dbraw/zinc/55/88/78/524558878.db2.gz ZIBXSOPPKQYBDL-SJLPKXTDSA-N 2 2 361.486 1.255 10 0 FDAELP CNc1cc(N2CCC[C@H]2CNC(=O)N(CC[NH+](C)C)C(C)C)nc[nH+]1 ZINC000159285733 524633619 /nfs/dbraw/zinc/63/36/19/524633619.db2.gz KKADUUPHXJXFDT-HNNXBMFYSA-N 2 2 363.510 1.469 10 0 FDAELP CNc1cc(N2CCC[C@H]2CNC(=O)N(CC[NH+](C)C)C(C)C)[nH+]cn1 ZINC000159285733 524633631 /nfs/dbraw/zinc/63/36/31/524633631.db2.gz KKADUUPHXJXFDT-HNNXBMFYSA-N 2 2 363.510 1.469 10 0 FDAELP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000113582832 524698110 /nfs/dbraw/zinc/69/81/10/524698110.db2.gz YGCMWRRWCOLBIC-YLJYHZDGSA-N 2 2 372.513 1.897 10 0 FDAELP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000113582832 524698119 /nfs/dbraw/zinc/69/81/19/524698119.db2.gz YGCMWRRWCOLBIC-YLJYHZDGSA-N 2 2 372.513 1.897 10 0 FDAELP C[NH+](C)[C@@H]1CCN(C(=O)C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000124111561 524904242 /nfs/dbraw/zinc/90/42/42/524904242.db2.gz KASMJSVEUUETMJ-OAHLLOKOSA-N 2 2 354.410 1.975 10 0 FDAELP CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000175373311 524955271 /nfs/dbraw/zinc/95/52/71/524955271.db2.gz KJYNJJOZOZAEHU-QGZVFWFLSA-N 2 2 362.522 1.348 10 0 FDAELP CC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000175373311 524955281 /nfs/dbraw/zinc/95/52/81/524955281.db2.gz KJYNJJOZOZAEHU-QGZVFWFLSA-N 2 2 362.522 1.348 10 0 FDAELP CCC[C@H](C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1)[NH+](C)C ZINC000161785772 525168627 /nfs/dbraw/zinc/16/86/27/525168627.db2.gz GXLFPYLEOFZVMQ-LJQANCHMSA-N 2 2 363.502 1.744 10 0 FDAELP CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)NC1CC[NH+](C)CC1 ZINC000178444021 525429159 /nfs/dbraw/zinc/42/91/59/525429159.db2.gz NTUBILXYULDLQF-MRXNPFEDSA-N 2 2 366.531 1.857 10 0 FDAELP CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)C(=O)NC1CC[NH+](C)CC1 ZINC000178444012 525429259 /nfs/dbraw/zinc/42/92/59/525429259.db2.gz NTUBILXYULDLQF-INIZCTEOSA-N 2 2 366.531 1.857 10 0 FDAELP [NH3+][C@H]1CC[C@@H](C(=O)N2CC[NH+](CCOc3ccccc3Cl)CC2)C1 ZINC000164041185 525472270 /nfs/dbraw/zinc/47/22/70/525472270.db2.gz LIFKNNMNZBFROQ-CABCVRRESA-N 2 2 351.878 1.990 10 0 FDAELP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105177925 525473318 /nfs/dbraw/zinc/47/33/18/525473318.db2.gz DORVLDGEPWBFMQ-SJLPKXTDSA-N 2 2 368.547 1.074 10 0 FDAELP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000105177925 525473329 /nfs/dbraw/zinc/47/33/29/525473329.db2.gz DORVLDGEPWBFMQ-SJLPKXTDSA-N 2 2 368.547 1.074 10 0 FDAELP CCCCCCNC(=O)C[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000106122843 525618198 /nfs/dbraw/zinc/61/81/98/525618198.db2.gz VQMKLHPWKVRWPX-IBGZPJMESA-N 2 2 368.566 1.410 10 0 FDAELP CCCCCCNC(=O)C[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000106122843 525618205 /nfs/dbraw/zinc/61/82/05/525618205.db2.gz VQMKLHPWKVRWPX-IBGZPJMESA-N 2 2 368.566 1.410 10 0 FDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N(C)CC(=O)NC2CC2)C1 ZINC000106213688 525675119 /nfs/dbraw/zinc/67/51/19/525675119.db2.gz FWSIYEKVMCCABI-GOEBONIOSA-N 2 2 361.490 1.208 10 0 FDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N(C)CC(=O)NC2CC2)C1 ZINC000106213688 525675125 /nfs/dbraw/zinc/67/51/25/525675125.db2.gz FWSIYEKVMCCABI-GOEBONIOSA-N 2 2 361.490 1.208 10 0 FDAELP CCOC(=O)CCCNC(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000106216162 525675596 /nfs/dbraw/zinc/67/55/96/525675596.db2.gz CPDMUBVHJSHTHB-HNNXBMFYSA-N 2 2 350.463 1.542 10 0 FDAELP CCOC(=O)CCCNC(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000106216162 525675604 /nfs/dbraw/zinc/67/56/04/525675604.db2.gz CPDMUBVHJSHTHB-HNNXBMFYSA-N 2 2 350.463 1.542 10 0 FDAELP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000119272419 525691369 /nfs/dbraw/zinc/69/13/69/525691369.db2.gz XATSRIRIWGSKNE-INIZCTEOSA-N 2 2 359.474 1.929 10 0 FDAELP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000119272419 525691377 /nfs/dbraw/zinc/69/13/77/525691377.db2.gz XATSRIRIWGSKNE-INIZCTEOSA-N 2 2 359.474 1.929 10 0 FDAELP Cc1cccc([C@H](CNC(=O)N2CC[C@@H]([NH+](C)C)C2)[NH+]2CCOCC2)c1 ZINC000170829499 525726827 /nfs/dbraw/zinc/72/68/27/525726827.db2.gz FXLDETIQQXIKSQ-MOPGFXCFSA-N 2 2 360.502 1.714 10 0 FDAELP C[C@H](C(=O)NCC(F)(F)F)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000155116396 525751460 /nfs/dbraw/zinc/75/14/60/525751460.db2.gz IXFDLAXUCDDHQM-CYBMUJFWSA-N 2 2 361.412 1.346 10 0 FDAELP C[C@H](C(=O)NCC(F)(F)F)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000155116396 525751471 /nfs/dbraw/zinc/75/14/71/525751471.db2.gz IXFDLAXUCDDHQM-CYBMUJFWSA-N 2 2 361.412 1.346 10 0 FDAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](CCCC(=O)OC(C)(C)C)CC2)C1 ZINC000181821330 525943102 /nfs/dbraw/zinc/94/31/02/525943102.db2.gz VUFAIOZZIUYRRS-SFHVURJKSA-N 2 2 369.550 1.835 10 0 FDAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](CCCC(=O)OC(C)(C)C)CC2)C1 ZINC000181821330 525943115 /nfs/dbraw/zinc/94/31/15/525943115.db2.gz VUFAIOZZIUYRRS-SFHVURJKSA-N 2 2 369.550 1.835 10 0 FDAELP C[C@@H](CNC(=O)N(CC[NH+](C)C)CC1CCCCC1)[NH+]1CCOCC1 ZINC000156267593 526094991 /nfs/dbraw/zinc/09/49/91/526094991.db2.gz NTAOADKWIQMNBG-KRWDZBQOSA-N 2 2 354.539 1.861 10 0 FDAELP CC[NH+](CC)CCCC1CCN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000182515009 526195370 /nfs/dbraw/zinc/19/53/70/526195370.db2.gz HJKOSBXMDLOPCN-GOSISDBHSA-N 2 2 354.539 1.861 10 0 FDAELP CC[NH+](CC)CCCC1CCN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000182515009 526195375 /nfs/dbraw/zinc/19/53/75/526195375.db2.gz HJKOSBXMDLOPCN-GOSISDBHSA-N 2 2 354.539 1.861 10 0 FDAELP CC[C@H]1CN(C(=O)NCc2cccnc2-n2cc[nH+]c2)CC[N@@H+]1C[C@@H](C)O ZINC000184823864 536185996 /nfs/dbraw/zinc/18/59/96/536185996.db2.gz MSRFXWZVXOOGGD-WBVHZDCISA-N 2 2 372.473 1.254 10 0 FDAELP CC[C@H]1CN(C(=O)NCc2cccnc2-n2cc[nH+]c2)CC[N@H+]1C[C@@H](C)O ZINC000184823864 536186000 /nfs/dbraw/zinc/18/60/00/536186000.db2.gz MSRFXWZVXOOGGD-WBVHZDCISA-N 2 2 372.473 1.254 10 0 FDAELP COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000246381584 536940922 /nfs/dbraw/zinc/94/09/22/536940922.db2.gz NOADQEUMUQUWLE-SZMVWBNQSA-N 2 2 365.518 1.782 10 0 FDAELP COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000246381584 536940928 /nfs/dbraw/zinc/94/09/28/536940928.db2.gz NOADQEUMUQUWLE-SZMVWBNQSA-N 2 2 365.518 1.782 10 0 FDAELP CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)nc[nH+]1 ZINC000246397005 536944752 /nfs/dbraw/zinc/94/47/52/536944752.db2.gz SXNGDSNSOSWRAD-OFQRWUPVSA-N 2 2 373.505 1.412 10 0 FDAELP CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)[nH+]cn1 ZINC000246397005 536944758 /nfs/dbraw/zinc/94/47/58/536944758.db2.gz SXNGDSNSOSWRAD-OFQRWUPVSA-N 2 2 373.505 1.412 10 0 FDAELP CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)[nH+]cn1 ZINC000246397005 536944762 /nfs/dbraw/zinc/94/47/62/536944762.db2.gz SXNGDSNSOSWRAD-OFQRWUPVSA-N 2 2 373.505 1.412 10 0 FDAELP C[C@H]([NH2+]C1(CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)CCOCC1)c1ccccc1 ZINC000263168250 536985797 /nfs/dbraw/zinc/98/57/97/536985797.db2.gz FLJXNLHEGYHGRI-GOEBONIOSA-N 2 2 367.440 2.000 10 0 FDAELP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000263310262 537014903 /nfs/dbraw/zinc/01/49/03/537014903.db2.gz YMERNCINGSKOSJ-BXUZGUMPSA-N 2 2 351.248 1.509 10 0 FDAELP CCOCC[N@@H+]1CCN(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)C[C@H]1CC ZINC000247085773 537079870 /nfs/dbraw/zinc/07/98/70/537079870.db2.gz LQJIOYWQKXBPMD-KZNAEPCWSA-N 2 2 370.538 1.238 10 0 FDAELP CCOCC[N@H+]1CCN(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)C[C@H]1CC ZINC000247085773 537079872 /nfs/dbraw/zinc/07/98/72/537079872.db2.gz LQJIOYWQKXBPMD-KZNAEPCWSA-N 2 2 370.538 1.238 10 0 FDAELP CC[C@@H]1CN(C(=O)NCCc2cn3ccccc3[nH+]2)CC[N@@H+]1C[C@H](C)O ZINC000248461496 537185414 /nfs/dbraw/zinc/18/54/14/537185414.db2.gz UXXQHIHTYBGOSA-DOTOQJQBSA-N 2 2 359.474 1.363 10 0 FDAELP CC[C@@H]1CN(C(=O)NCCc2cn3ccccc3[nH+]2)CC[N@H+]1C[C@H](C)O ZINC000248461496 537185417 /nfs/dbraw/zinc/18/54/17/537185417.db2.gz UXXQHIHTYBGOSA-DOTOQJQBSA-N 2 2 359.474 1.363 10 0 FDAELP CC[NH+]1CCN(C(=O)[C@H](C)N2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)CC1 ZINC000248656479 537202532 /nfs/dbraw/zinc/20/25/32/537202532.db2.gz RLJOLNFQFSTVMG-ICSRJNTNSA-N 2 2 373.545 1.388 10 0 FDAELP CC[NH+]1CCN(C(=O)[C@H](C)N2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)CC1 ZINC000248656479 537202533 /nfs/dbraw/zinc/20/25/33/537202533.db2.gz RLJOLNFQFSTVMG-ICSRJNTNSA-N 2 2 373.545 1.388 10 0 FDAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)CC1 ZINC000248656479 537202534 /nfs/dbraw/zinc/20/25/34/537202534.db2.gz RLJOLNFQFSTVMG-ICSRJNTNSA-N 3 2 373.545 1.388 10 0 FDAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)CC1 ZINC000248656479 537202535 /nfs/dbraw/zinc/20/25/35/537202535.db2.gz RLJOLNFQFSTVMG-ICSRJNTNSA-N 3 2 373.545 1.388 10 0 FDAELP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)CC1 ZINC000248656479 537202536 /nfs/dbraw/zinc/20/25/36/537202536.db2.gz RLJOLNFQFSTVMG-ICSRJNTNSA-N 3 2 373.545 1.388 10 0 FDAELP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)CC1 ZINC000248656479 537202537 /nfs/dbraw/zinc/20/25/37/537202537.db2.gz RLJOLNFQFSTVMG-ICSRJNTNSA-N 3 2 373.545 1.388 10 0 FDAELP C[NH+]1CCO[C@@H]([C@H](NC[C@@H]2C[N@H+](C)CCO2)c2ccc(Cl)cc2)C1 ZINC000248714212 537208088 /nfs/dbraw/zinc/20/80/88/537208088.db2.gz KBWHHSPNERMCMV-KZNAEPCWSA-N 2 2 353.894 1.632 10 0 FDAELP C[NH+]1CCO[C@@H]([C@H](NC[C@@H]2C[N@@H+](C)CCO2)c2ccc(Cl)cc2)C1 ZINC000248714212 537208091 /nfs/dbraw/zinc/20/80/91/537208091.db2.gz KBWHHSPNERMCMV-KZNAEPCWSA-N 2 2 353.894 1.632 10 0 FDAELP C[NH+]1CCO[C@H](CN[C@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)C1 ZINC000248714212 537208092 /nfs/dbraw/zinc/20/80/92/537208092.db2.gz KBWHHSPNERMCMV-KZNAEPCWSA-N 2 2 353.894 1.632 10 0 FDAELP C[NH+]1CCO[C@H](CN[C@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000248714212 537208094 /nfs/dbraw/zinc/20/80/94/537208094.db2.gz KBWHHSPNERMCMV-KZNAEPCWSA-N 2 2 353.894 1.632 10 0 FDAELP C[NH+]1CCO[C@H]([C@H](NC[C@@H]2C[N@H+](C)CCO2)c2ccc(Cl)cc2)C1 ZINC000248714199 537208298 /nfs/dbraw/zinc/20/82/98/537208298.db2.gz KBWHHSPNERMCMV-FGTMMUONSA-N 2 2 353.894 1.632 10 0 FDAELP C[NH+]1CCO[C@H]([C@H](NC[C@@H]2C[N@@H+](C)CCO2)c2ccc(Cl)cc2)C1 ZINC000248714199 537208299 /nfs/dbraw/zinc/20/82/99/537208299.db2.gz KBWHHSPNERMCMV-FGTMMUONSA-N 2 2 353.894 1.632 10 0 FDAELP C[NH+]1CCO[C@H](CN[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000248714199 537208301 /nfs/dbraw/zinc/20/83/01/537208301.db2.gz KBWHHSPNERMCMV-FGTMMUONSA-N 2 2 353.894 1.632 10 0 FDAELP C[NH+]1CCO[C@H](CN[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000248714199 537208302 /nfs/dbraw/zinc/20/83/02/537208302.db2.gz KBWHHSPNERMCMV-FGTMMUONSA-N 2 2 353.894 1.632 10 0 FDAELP CCN(C(=O)NC[C@H]1C[NH+](C)CCO1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000249298742 537232694 /nfs/dbraw/zinc/23/26/94/537232694.db2.gz NOLFWAPMYSDSFP-MOPGFXCFSA-N 2 2 360.502 1.623 10 0 FDAELP CCN(C(=O)NC[C@H]1C[NH+](C)CCO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000249298742 537232696 /nfs/dbraw/zinc/23/26/96/537232696.db2.gz NOLFWAPMYSDSFP-MOPGFXCFSA-N 2 2 360.502 1.623 10 0 FDAELP CCN(C(=O)NC[C@H]1C[N@H+](C)CCO1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000249298742 537232698 /nfs/dbraw/zinc/23/26/98/537232698.db2.gz NOLFWAPMYSDSFP-MOPGFXCFSA-N 2 2 360.502 1.623 10 0 FDAELP CCN(C(=O)NC[C@H]1C[N@@H+](C)CCO1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000249298742 537232700 /nfs/dbraw/zinc/23/27/00/537232700.db2.gz NOLFWAPMYSDSFP-MOPGFXCFSA-N 2 2 360.502 1.623 10 0 FDAELP C[N@H+](C[C@H](O)COC(C)(C)C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249557488 537238539 /nfs/dbraw/zinc/23/85/39/537238539.db2.gz KICBAPFXFUSRFF-ICSRJNTNSA-N 2 2 350.503 1.731 10 0 FDAELP C[N@@H+](C[C@H](O)COC(C)(C)C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249557488 537238540 /nfs/dbraw/zinc/23/85/40/537238540.db2.gz KICBAPFXFUSRFF-ICSRJNTNSA-N 2 2 350.503 1.731 10 0 FDAELP C[NH+](C[C@H](O)COC(C)(C)C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000249557488 537238542 /nfs/dbraw/zinc/23/85/42/537238542.db2.gz KICBAPFXFUSRFF-ICSRJNTNSA-N 2 2 350.503 1.731 10 0 FDAELP C[NH+](C[C@H](O)COC(C)(C)C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000249557488 537238544 /nfs/dbraw/zinc/23/85/44/537238544.db2.gz KICBAPFXFUSRFF-ICSRJNTNSA-N 2 2 350.503 1.731 10 0 FDAELP OCC[N@@H+]1CCC[C@H]([NH2+]Cc2cccc(I)c2)C1 ZINC000384642201 537760423 /nfs/dbraw/zinc/76/04/23/537760423.db2.gz XMGIKBXKEKXHIY-AWEZNQCLSA-N 2 2 360.239 1.838 10 0 FDAELP OCC[N@H+]1CCC[C@H]([NH2+]Cc2cccc(I)c2)C1 ZINC000384642201 537760428 /nfs/dbraw/zinc/76/04/28/537760428.db2.gz XMGIKBXKEKXHIY-AWEZNQCLSA-N 2 2 360.239 1.838 10 0 FDAELP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000245413939 178355557 /nfs/dbraw/zinc/35/55/57/178355557.db2.gz CIPUHEUJZFRTGR-WMZOPIPTSA-N 2 2 370.563 1.320 10 0 FDAELP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000245413939 178355560 /nfs/dbraw/zinc/35/55/60/178355560.db2.gz CIPUHEUJZFRTGR-WMZOPIPTSA-N 2 2 370.563 1.320 10 0 FDAELP C[C@@H](NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)[C@H]1CCCO1 ZINC000245952637 178392441 /nfs/dbraw/zinc/39/24/41/178392441.db2.gz VVERQFGTNMYWJI-FNNOIMFVSA-N 2 2 350.507 1.506 10 0 FDAELP C[C@@H](NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)[C@H]1CCCO1 ZINC000245952637 178392443 /nfs/dbraw/zinc/39/24/43/178392443.db2.gz VVERQFGTNMYWJI-FNNOIMFVSA-N 2 2 350.507 1.506 10 0 FDAELP COc1ccc(F)c(F)c1C(=O)c1c[nH+]c(NC2CC[NH2+]CC2)nc1N ZINC000038495013 205041035 /nfs/dbraw/zinc/04/10/35/205041035.db2.gz ALKHVWYPHMXSLD-UHFFFAOYSA-N 2 2 363.368 1.741 10 0 FDAELP O=S(=O)(NCC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)c1ccccc1 ZINC000171640955 258267006 /nfs/dbraw/zinc/26/70/06/258267006.db2.gz XQSKMGWYIMOFCZ-INIZCTEOSA-N 2 2 360.483 1.794 10 0 FDAELP O=S(=O)(NCC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)c1ccccc1 ZINC000171640955 258267007 /nfs/dbraw/zinc/26/70/07/258267007.db2.gz XQSKMGWYIMOFCZ-INIZCTEOSA-N 2 2 360.483 1.794 10 0 FDAELP C[NH+](C)[C@@H]1CC[C@@H](NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000093791269 172320760 /nfs/dbraw/zinc/32/07/60/172320760.db2.gz RYNYPZMKFDXDHH-SJLPKXTDSA-N 3 2 351.539 1.327 10 0 FDAELP C[C@@H]1C[C@H](NC(=O)N2CC[NH+](C[C@H](O)c3ccccc3)CC2)C[N@@H+]1C1CC1 ZINC000130399884 173168566 /nfs/dbraw/zinc/16/85/66/173168566.db2.gz UFRUPDXFQAQIOI-KPFFTGBYSA-N 2 2 372.513 1.672 10 0 FDAELP C[C@@H]1C[C@H](NC(=O)N2CC[NH+](C[C@H](O)c3ccccc3)CC2)C[N@H+]1C1CC1 ZINC000130399884 173168569 /nfs/dbraw/zinc/16/85/69/173168569.db2.gz UFRUPDXFQAQIOI-KPFFTGBYSA-N 2 2 372.513 1.672 10 0 FDAELP C[C@H]1CN(C(=O)NCC[N@@H+]2CCc3ccccc3C2)C[C@@H]1[NH+]1CCOCC1 ZINC000175667366 174018148 /nfs/dbraw/zinc/01/81/48/174018148.db2.gz LBLNZLPEWUIJHY-PXNSSMCTSA-N 2 2 372.513 1.407 10 0 FDAELP C[C@H]1CN(C(=O)NCC[N@H+]2CCc3ccccc3C2)C[C@@H]1[NH+]1CCOCC1 ZINC000175667366 174018149 /nfs/dbraw/zinc/01/81/49/174018149.db2.gz LBLNZLPEWUIJHY-PXNSSMCTSA-N 2 2 372.513 1.407 10 0 FDAELP CC(C)CC[NH+]1CCC(CNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)CC1 ZINC000175775938 174027446 /nfs/dbraw/zinc/02/74/46/174027446.db2.gz SAGFHVCWVTVVLF-IBGZPJMESA-N 2 2 366.550 1.861 10 0 FDAELP C[NH+]1CCC(N(Cc2ccccc2)C(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000176142283 174054151 /nfs/dbraw/zinc/05/41/51/174054151.db2.gz CZEFERRLNOSQPZ-LJQANCHMSA-N 2 2 360.502 1.623 10 0 FDAELP C[NH+]1CCC(N(Cc2ccccc2)C(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000176142283 174054152 /nfs/dbraw/zinc/05/41/52/174054152.db2.gz CZEFERRLNOSQPZ-LJQANCHMSA-N 2 2 360.502 1.623 10 0 FDAELP C[C@@H]1C[N@@H+]([C@@H](CNC(=O)NCCn2cc[nH+]c2)c2cccs2)CCO1 ZINC000176927936 174095280 /nfs/dbraw/zinc/09/52/80/174095280.db2.gz QUUIXVKBOJVFDS-CABCVRRESA-N 2 2 363.487 1.706 10 0 FDAELP C[C@@H]1C[N@H+]([C@@H](CNC(=O)NCCn2cc[nH+]c2)c2cccs2)CCO1 ZINC000176927936 174095283 /nfs/dbraw/zinc/09/52/83/174095283.db2.gz QUUIXVKBOJVFDS-CABCVRRESA-N 2 2 363.487 1.706 10 0 FDAELP CC(=O)N1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000180673788 258372847 /nfs/dbraw/zinc/37/28/47/258372847.db2.gz ZHXHLJKJRZVMMC-JKSUJKDBSA-N 2 2 369.469 1.602 10 0 FDAELP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)c1ccco1 ZINC000173906247 258314459 /nfs/dbraw/zinc/31/44/59/258314459.db2.gz ZICKCYNBPCFWTL-IRXDYDNUSA-N 2 2 364.490 1.779 10 0 FDAELP COC(=O)c1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1 ZINC000178332132 258328486 /nfs/dbraw/zinc/32/84/86/258328486.db2.gz QSCVAQBVJWKUAQ-MSOLQXFVSA-N 2 2 373.453 1.882 10 0 FDAELP COC(=O)c1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1 ZINC000178332132 258328487 /nfs/dbraw/zinc/32/84/87/258328487.db2.gz QSCVAQBVJWKUAQ-MSOLQXFVSA-N 2 2 373.453 1.882 10 0 FDAELP CNc1cc(N2CCC[C@@H]2CNC(=O)c2c[nH+]ccc2N(C)C)nc[nH+]1 ZINC000183813420 258380830 /nfs/dbraw/zinc/38/08/30/258380830.db2.gz JNWIGYGQTVGBEE-CYBMUJFWSA-N 2 2 355.446 1.378 10 0 FDAELP CNc1cc(N2CCC[C@@H]2CNC(=O)c2c[nH+]ccc2N(C)C)[nH+]cn1 ZINC000183813420 258380831 /nfs/dbraw/zinc/38/08/31/258380831.db2.gz JNWIGYGQTVGBEE-CYBMUJFWSA-N 2 2 355.446 1.378 10 0 FDAELP C[C@@H]1CN(C(=O)c2ccc(-n3ccnn3)cc2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000329086865 259076667 /nfs/dbraw/zinc/07/66/67/259076667.db2.gz HBQSKLPPJFYAQY-MRXNPFEDSA-N 2 2 368.485 1.508 10 0 FDAELP C[C@@H]1CN(C(=O)c2ccc(-n3ccnn3)cc2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000329086865 259076668 /nfs/dbraw/zinc/07/66/68/259076668.db2.gz HBQSKLPPJFYAQY-MRXNPFEDSA-N 2 2 368.485 1.508 10 0 FDAELP C[C@H]1C[C@H]([NH2+]Cc2ccccc2S(=O)(=O)N2CCOCC2)CC[N@@H+]1C ZINC000329183378 259082864 /nfs/dbraw/zinc/08/28/64/259082864.db2.gz PHGWHNLHSGORGX-DOTOQJQBSA-N 2 2 367.515 1.280 10 0 FDAELP C[C@H]1C[C@H]([NH2+]Cc2ccccc2S(=O)(=O)N2CCOCC2)CC[N@H+]1C ZINC000329183378 259082865 /nfs/dbraw/zinc/08/28/65/259082865.db2.gz PHGWHNLHSGORGX-DOTOQJQBSA-N 2 2 367.515 1.280 10 0 FDAELP C[C@H]1CN(C(=O)C[C@H]2CCCCNC2=O)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000329395899 259093823 /nfs/dbraw/zinc/09/38/23/259093823.db2.gz VUXAPDSQXNMOBY-JKSUJKDBSA-N 2 2 350.507 1.760 10 0 FDAELP O=C(NCC[NH+]1CCOCC1)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000067005474 523295521 /nfs/dbraw/zinc/29/55/21/523295521.db2.gz ZWCASZYHXRXDTN-IBGZPJMESA-N 2 2 360.502 1.673 10 0 FDAELP O=C(NCC[NH+]1CCOCC1)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000067005474 523295530 /nfs/dbraw/zinc/29/55/30/523295530.db2.gz ZWCASZYHXRXDTN-IBGZPJMESA-N 2 2 360.502 1.673 10 0 FDAELP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000172241190 524174761 /nfs/dbraw/zinc/17/47/61/524174761.db2.gz MFOJKEHTNOTTGI-RLLQIKCJSA-N 2 2 372.513 1.938 10 0 FDAELP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000172241190 524174767 /nfs/dbraw/zinc/17/47/67/524174767.db2.gz MFOJKEHTNOTTGI-RLLQIKCJSA-N 2 2 372.513 1.938 10 0 FDAELP CC(C)[N@H+]1C[C@H](NC(=O)NCc2ccc[nH+]c2N2CCOCC2)[C@@H](C)C1 ZINC000157064445 524201707 /nfs/dbraw/zinc/20/17/07/524201707.db2.gz KCKBNJFCIPKFHT-RDJZCZTQSA-N 2 2 361.490 1.446 10 0 FDAELP CC(C)[N@@H+]1C[C@H](NC(=O)NCc2ccc[nH+]c2N2CCOCC2)[C@@H](C)C1 ZINC000157064445 524201719 /nfs/dbraw/zinc/20/17/19/524201719.db2.gz KCKBNJFCIPKFHT-RDJZCZTQSA-N 2 2 361.490 1.446 10 0 FDAELP CNc1cc(N2CCC[C@H]2CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)nc[nH+]1 ZINC000173432387 524386448 /nfs/dbraw/zinc/38/64/48/524386448.db2.gz SZOSWDSTAYBVFH-QFBILLFUSA-N 2 2 368.485 1.906 10 0 FDAELP CNc1cc(N2CCC[C@H]2CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)[nH+]cn1 ZINC000173432387 524386455 /nfs/dbraw/zinc/38/64/55/524386455.db2.gz SZOSWDSTAYBVFH-QFBILLFUSA-N 2 2 368.485 1.906 10 0 FDAELP CNc1cc(N2CCC[C@H]2CNC(=O)NCCCn2cc[nH+]c2)nc[nH+]1 ZINC000174000047 524501238 /nfs/dbraw/zinc/50/12/38/524501238.db2.gz RMXPAMQNDSNEEC-AWEZNQCLSA-N 2 2 358.450 1.073 10 0 FDAELP C[C@@H]1C[N@@H+](CCCCNc2cc(N3CCC[C@@H]3CO)[nH+]cn2)C[C@H](C)O1 ZINC000151974071 524744087 /nfs/dbraw/zinc/74/40/87/524744087.db2.gz AMAAWVAHPDHFOZ-IXDOHACOSA-N 2 2 363.506 1.739 10 0 FDAELP C[C@@H]1C[N@H+](CCCCNc2cc(N3CCC[C@@H]3CO)[nH+]cn2)C[C@H](C)O1 ZINC000151974071 524744097 /nfs/dbraw/zinc/74/40/97/524744097.db2.gz AMAAWVAHPDHFOZ-IXDOHACOSA-N 2 2 363.506 1.739 10 0 FDAELP C[C@@H]1C[N@@H+](CCCCNc2cc(N3CCC[C@@H]3CO)nc[nH+]2)C[C@H](C)O1 ZINC000151974071 524744108 /nfs/dbraw/zinc/74/41/08/524744108.db2.gz AMAAWVAHPDHFOZ-IXDOHACOSA-N 2 2 363.506 1.739 10 0 FDAELP C[C@@H]1C[N@H+](CCCCNc2cc(N3CCC[C@@H]3CO)nc[nH+]2)C[C@H](C)O1 ZINC000151974071 524744114 /nfs/dbraw/zinc/74/41/14/524744114.db2.gz AMAAWVAHPDHFOZ-IXDOHACOSA-N 2 2 363.506 1.739 10 0 FDAELP CC[NH+](CC)CCCNC(=O)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000115782255 525057133 /nfs/dbraw/zinc/05/71/33/525057133.db2.gz PXWSSKRSZYPFRI-UHFFFAOYSA-N 2 2 364.538 1.596 10 0 FDAELP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)NC[C@H](C)[N@H+](C)C2CC2)CC1 ZINC000115821940 525067747 /nfs/dbraw/zinc/06/77/47/525067747.db2.gz WKFNGYQJMHBUDS-AWEZNQCLSA-N 2 2 362.522 1.347 10 0 FDAELP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC000115821940 525067751 /nfs/dbraw/zinc/06/77/51/525067751.db2.gz WKFNGYQJMHBUDS-AWEZNQCLSA-N 2 2 362.522 1.347 10 0 FDAELP Cn1cc([C@H]2CCN(C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)C2)cn1 ZINC000116429289 525150560 /nfs/dbraw/zinc/15/05/60/525150560.db2.gz JPEKMYUQDSWEPM-INIZCTEOSA-N 2 2 374.533 1.478 10 0 FDAELP CCC[C@H](C(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1)[NH+](C)C ZINC000162345322 525246277 /nfs/dbraw/zinc/24/62/77/525246277.db2.gz DCBSTKZULIAQHT-LJQANCHMSA-N 2 2 362.518 1.982 10 0 FDAELP CCCCCNC(=O)[C@@H](C)[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000106121906 525618839 /nfs/dbraw/zinc/61/88/39/525618839.db2.gz CSYXYKJWZJKYIV-MOPGFXCFSA-N 2 2 368.566 1.408 10 0 FDAELP CCCCCNC(=O)[C@@H](C)[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000106121906 525618847 /nfs/dbraw/zinc/61/88/47/525618847.db2.gz CSYXYKJWZJKYIV-MOPGFXCFSA-N 2 2 368.566 1.408 10 0 FDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N2CCN(C(=O)C3CC3)CC2)C1 ZINC000106213108 525675364 /nfs/dbraw/zinc/67/53/64/525675364.db2.gz BEEYSAYTNBLEPT-QGZVFWFLSA-N 2 2 373.501 1.163 10 0 FDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N2CCN(C(=O)C3CC3)CC2)C1 ZINC000106213108 525675372 /nfs/dbraw/zinc/67/53/72/525675372.db2.gz BEEYSAYTNBLEPT-QGZVFWFLSA-N 2 2 373.501 1.163 10 0 FDAELP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000119272207 525688932 /nfs/dbraw/zinc/68/89/32/525688932.db2.gz XATSRIRIWGSKNE-MRXNPFEDSA-N 2 2 359.474 1.929 10 0 FDAELP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000119272207 525688945 /nfs/dbraw/zinc/68/89/45/525688945.db2.gz XATSRIRIWGSKNE-MRXNPFEDSA-N 2 2 359.474 1.929 10 0 FDAELP C[NH+](C)[C@H](Cc1ccccc1)C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000106427268 525723992 /nfs/dbraw/zinc/72/39/92/525723992.db2.gz VTLRFTCWZAMGEG-HXUWFJFHSA-N 2 2 352.482 1.899 10 0 FDAELP Cc1ccc([C@@H](CNC(=O)N2CC[C@H]([NH+](C)C)C2)[NH+]2CCOCC2)cc1 ZINC000170832572 525729671 /nfs/dbraw/zinc/72/96/71/525729671.db2.gz NZNSDXHQURWSSE-RBUKOAKNSA-N 2 2 360.502 1.714 10 0 FDAELP C[NH+](C)[C@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)C1 ZINC000170844732 525733668 /nfs/dbraw/zinc/73/36/68/525733668.db2.gz HPGMKDWYTSSMAC-HNNXBMFYSA-N 2 2 369.469 1.864 10 0 FDAELP COc1ccc(C[NH+]2CCN(C(=O)C[N@@H+]3CCS[C@@H](C)C3)CC2)cc1 ZINC000171685784 526078490 /nfs/dbraw/zinc/07/84/90/526078490.db2.gz UHALQAQGMIUYCX-INIZCTEOSA-N 2 2 363.527 1.777 10 0 FDAELP COc1ccc(C[NH+]2CCN(C(=O)C[N@H+]3CCS[C@@H](C)C3)CC2)cc1 ZINC000171685784 526078500 /nfs/dbraw/zinc/07/85/00/526078500.db2.gz UHALQAQGMIUYCX-INIZCTEOSA-N 2 2 363.527 1.777 10 0 FDAELP Cn1cc(C[N@@H+]2CCCN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)CC2)cn1 ZINC000109659667 526159503 /nfs/dbraw/zinc/15/95/03/526159503.db2.gz MIEHEXJBRDLYDF-LJQANCHMSA-N 2 2 355.486 1.757 10 0 FDAELP Cn1cc(C[N@H+]2CCCN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)CC2)cn1 ZINC000109659667 526159509 /nfs/dbraw/zinc/15/95/09/526159509.db2.gz MIEHEXJBRDLYDF-LJQANCHMSA-N 2 2 355.486 1.757 10 0 FDAELP O=C1c2ccccc2C(=O)N1C[C@@H](O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000171942492 526190256 /nfs/dbraw/zinc/19/02/56/526190256.db2.gz NWFLFUPINWWTHK-HNNXBMFYSA-N 2 2 354.410 1.177 10 0 FDAELP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000246309944 536924401 /nfs/dbraw/zinc/92/44/01/536924401.db2.gz NOCBKIGLCPHIDO-ROUUACIJSA-N 2 2 373.501 1.686 10 0 FDAELP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000246309944 536924405 /nfs/dbraw/zinc/92/44/05/536924405.db2.gz NOCBKIGLCPHIDO-ROUUACIJSA-N 2 2 373.501 1.686 10 0 FDAELP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000246388502 536942419 /nfs/dbraw/zinc/94/24/19/536942419.db2.gz KJTGYVILCOKCDE-RHSMWYFYSA-N 2 2 355.442 1.656 10 0 FDAELP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000246388502 536942423 /nfs/dbraw/zinc/94/24/23/536942423.db2.gz KJTGYVILCOKCDE-RHSMWYFYSA-N 2 2 355.442 1.656 10 0 FDAELP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)CC1=O ZINC000246457372 536957902 /nfs/dbraw/zinc/95/79/02/536957902.db2.gz VRLMTRQOGPPMAQ-RCCFBDPRSA-N 2 2 373.501 1.207 10 0 FDAELP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)CC1=O ZINC000246457372 536957903 /nfs/dbraw/zinc/95/79/03/536957903.db2.gz VRLMTRQOGPPMAQ-RCCFBDPRSA-N 2 2 373.501 1.207 10 0 FDAELP CCOCC[N@@H+]1CCN(C(=O)[C@@H](C(CC)CC)[NH+]2CCOCC2)C[C@@H]1C ZINC000246731682 537013415 /nfs/dbraw/zinc/01/34/15/537013415.db2.gz MHZALFSIECWZPA-PKOBYXMFSA-N 2 2 369.550 1.693 10 0 FDAELP CCOCC[N@H+]1CCN(C(=O)[C@@H](C(CC)CC)[NH+]2CCOCC2)C[C@@H]1C ZINC000246731682 537013420 /nfs/dbraw/zinc/01/34/20/537013420.db2.gz MHZALFSIECWZPA-PKOBYXMFSA-N 2 2 369.550 1.693 10 0 FDAELP CC[C@H]1CN(C(=O)NC[C@H](c2ccco2)[NH+](C)C)CC[N@@H+]1CCOC ZINC000247105891 537081988 /nfs/dbraw/zinc/08/19/88/537081988.db2.gz MXZLYWBQHVIGEG-JKSUJKDBSA-N 2 2 352.479 1.635 10 0 FDAELP CC[C@H]1CN(C(=O)NC[C@H](c2ccco2)[NH+](C)C)CC[N@H+]1CCOC ZINC000247105891 537081991 /nfs/dbraw/zinc/08/19/91/537081991.db2.gz MXZLYWBQHVIGEG-JKSUJKDBSA-N 2 2 352.479 1.635 10 0 FDAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000247315361 537106840 /nfs/dbraw/zinc/10/68/40/537106840.db2.gz ILCQRHQIXSSHGC-BWPNAZKDSA-N 2 2 374.529 1.773 10 0 FDAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000247315361 537106843 /nfs/dbraw/zinc/10/68/43/537106843.db2.gz ILCQRHQIXSSHGC-BWPNAZKDSA-N 2 2 374.529 1.773 10 0 FDAELP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000247315361 537106847 /nfs/dbraw/zinc/10/68/47/537106847.db2.gz ILCQRHQIXSSHGC-BWPNAZKDSA-N 2 2 374.529 1.773 10 0 FDAELP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000247315361 537106850 /nfs/dbraw/zinc/10/68/50/537106850.db2.gz ILCQRHQIXSSHGC-BWPNAZKDSA-N 2 2 374.529 1.773 10 0 FDAELP O=C(N[C@@H](C[NH+]1CCOCC1)c1ccccc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247492331 537124886 /nfs/dbraw/zinc/12/48/86/537124886.db2.gz LYMLQZBELAEIFN-OALUTQOASA-N 2 2 358.486 1.550 10 0 FDAELP O=C(N[C@@H](C[NH+]1CCOCC1)c1ccccc1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000247492331 537124889 /nfs/dbraw/zinc/12/48/89/537124889.db2.gz LYMLQZBELAEIFN-OALUTQOASA-N 2 2 358.486 1.550 10 0 FDAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H]2CCN(CC(F)(F)F)C2=O)nc[nH+]1 ZINC000247596573 537140268 /nfs/dbraw/zinc/14/02/68/537140268.db2.gz OJFHCWIPHMMEBD-RYUDHWBXSA-N 2 2 372.395 1.240 10 0 FDAELP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000190339524 537165901 /nfs/dbraw/zinc/16/59/01/537165901.db2.gz SPUGKGMBEXXTML-FUHWJXTLSA-N 2 2 367.453 1.896 10 0 FDAELP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000190339524 537165903 /nfs/dbraw/zinc/16/59/03/537165903.db2.gz SPUGKGMBEXXTML-FUHWJXTLSA-N 2 2 367.453 1.896 10 0 FDAELP C[C@@H]1C[N@@H+]([C@H](CNC(=O)N2CC[C@H]([NH+](C)C)C2)c2cccs2)CCO1 ZINC000248371822 537174233 /nfs/dbraw/zinc/17/42/33/537174233.db2.gz ZDCKTUOHTGRBIE-OWCLPIDISA-N 2 2 366.531 1.855 10 0 FDAELP C[C@@H]1C[N@H+]([C@H](CNC(=O)N2CC[C@H]([NH+](C)C)C2)c2cccs2)CCO1 ZINC000248371822 537174236 /nfs/dbraw/zinc/17/42/36/537174236.db2.gz ZDCKTUOHTGRBIE-OWCLPIDISA-N 2 2 366.531 1.855 10 0 FDAELP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)NC[C@@H]1C[NH+](C)CCO1)C1CC1 ZINC000248507490 537189084 /nfs/dbraw/zinc/18/90/84/537189084.db2.gz YQKNKEHQCSFNDU-RTBURBONSA-N 2 2 360.502 1.527 10 0 FDAELP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)NC[C@@H]1C[NH+](C)CCO1)C1CC1 ZINC000248507490 537189087 /nfs/dbraw/zinc/18/90/87/537189087.db2.gz YQKNKEHQCSFNDU-RTBURBONSA-N 2 2 360.502 1.527 10 0 FDAELP C[NH+](Cc1ccccc1)[C@H](CNC(=O)NC[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC000248507490 537189089 /nfs/dbraw/zinc/18/90/89/537189089.db2.gz YQKNKEHQCSFNDU-RTBURBONSA-N 2 2 360.502 1.527 10 0 FDAELP C[NH+](Cc1ccccc1)[C@H](CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC000248507490 537189091 /nfs/dbraw/zinc/18/90/91/537189091.db2.gz YQKNKEHQCSFNDU-RTBURBONSA-N 2 2 360.502 1.527 10 0 FDAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000248713482 537208148 /nfs/dbraw/zinc/20/81/48/537208148.db2.gz BOTZRGDCQSVQRZ-YZGWKJHDSA-N 2 2 372.513 1.623 10 0 FDAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000248713482 537208150 /nfs/dbraw/zinc/20/81/50/537208150.db2.gz BOTZRGDCQSVQRZ-YZGWKJHDSA-N 2 2 372.513 1.623 10 0 FDAELP C[NH+]1CCN(Cc2ccc(C(=O)N3CC[N@@H+]4CCCC[C@@H]4C3)cc2)CC1 ZINC000195318278 178257209 /nfs/dbraw/zinc/25/72/09/178257209.db2.gz DLWMQSFEMKYUKX-HXUWFJFHSA-N 2 2 356.514 1.744 10 0 FDAELP CN1CC[NH+](Cc2ccc(C(=O)N3CC[N@@H+]4CCCC[C@@H]4C3)cc2)CC1 ZINC000195318278 178257216 /nfs/dbraw/zinc/25/72/16/178257216.db2.gz DLWMQSFEMKYUKX-HXUWFJFHSA-N 2 2 356.514 1.744 10 0 FDAELP CN1CC[NH+](Cc2ccc(C(=O)N3CC[N@H+]4CCCC[C@@H]4C3)cc2)CC1 ZINC000195318278 178257219 /nfs/dbraw/zinc/25/72/19/178257219.db2.gz DLWMQSFEMKYUKX-HXUWFJFHSA-N 2 2 356.514 1.744 10 0 FDAELP CCCC[C@H](C(=O)OC)[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000173335168 258296249 /nfs/dbraw/zinc/29/62/49/258296249.db2.gz GIKMKEDXEKBHCG-QZTJIDSGSA-N 2 2 355.523 1.445 10 0 FDAELP CCCC[C@H](C(=O)OC)[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000173335168 258296250 /nfs/dbraw/zinc/29/62/50/258296250.db2.gz GIKMKEDXEKBHCG-QZTJIDSGSA-N 2 2 355.523 1.445 10 0 FDAELP Cc1nc(C[C@H]2CCC[N@@H+](Cc3cnc(N4CC[NH+](C)CC4)nc3)C2)no1 ZINC000092814098 172305834 /nfs/dbraw/zinc/30/58/34/172305834.db2.gz SFZBUCUUBPRINI-MRXNPFEDSA-N 2 2 371.489 1.375 10 0 FDAELP Cc1nc(C[C@H]2CCC[N@H+](Cc3cnc(N4CC[NH+](C)CC4)nc3)C2)no1 ZINC000092814098 172305836 /nfs/dbraw/zinc/30/58/36/172305836.db2.gz SFZBUCUUBPRINI-MRXNPFEDSA-N 2 2 371.489 1.375 10 0 FDAELP C[NH+](C)CCOc1cc(CNc2cc(N3CCC[C@H]3CO)nc[nH+]2)ccn1 ZINC000135376766 173344200 /nfs/dbraw/zinc/34/42/00/173344200.db2.gz PIUDKVASYMFTPL-INIZCTEOSA-N 2 2 372.473 1.385 10 0 FDAELP C[NH+](C)CCOc1cc(CNc2cc(N3CCC[C@H]3CO)[nH+]cn2)ccn1 ZINC000135376766 173344201 /nfs/dbraw/zinc/34/42/01/173344201.db2.gz PIUDKVASYMFTPL-INIZCTEOSA-N 2 2 372.473 1.385 10 0 FDAELP C[C@H]1CN(C(=O)NCC[N@@H+]2CCc3ccccc3C2)C[C@H]1[NH+]1CCOCC1 ZINC000175667396 174017840 /nfs/dbraw/zinc/01/78/40/174017840.db2.gz LBLNZLPEWUIJHY-FXAWDEMLSA-N 2 2 372.513 1.407 10 0 FDAELP C[C@H]1CN(C(=O)NCC[N@H+]2CCc3ccccc3C2)C[C@H]1[NH+]1CCOCC1 ZINC000175667396 174017841 /nfs/dbraw/zinc/01/78/41/174017841.db2.gz LBLNZLPEWUIJHY-FXAWDEMLSA-N 2 2 372.513 1.407 10 0 FDAELP C[C@@H]1CN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)C[C@@H]1[NH+]1CCOCC1 ZINC000175679220 174018981 /nfs/dbraw/zinc/01/89/81/174018981.db2.gz VYAOESZPLDNETJ-AEFFLSMTSA-N 2 2 373.501 1.413 10 0 FDAELP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000175728354 174023278 /nfs/dbraw/zinc/02/32/78/174023278.db2.gz PLRBMRLPFWZAFB-GOSISDBHSA-N 2 2 362.522 1.392 10 0 FDAELP Cc1ccc([C@H](CNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)[NH+](C)C)cc1 ZINC000173816981 258312206 /nfs/dbraw/zinc/31/22/06/258312206.db2.gz CGAGWJZXPMNZCY-OALUTQOASA-N 2 2 360.502 1.714 10 0 FDAELP COC(=O)c1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1 ZINC000178332119 258328544 /nfs/dbraw/zinc/32/85/44/258328544.db2.gz QSCVAQBVJWKUAQ-ROUUACIJSA-N 2 2 373.453 1.882 10 0 FDAELP COC(=O)c1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1 ZINC000178332119 258328545 /nfs/dbraw/zinc/32/85/45/258328545.db2.gz QSCVAQBVJWKUAQ-ROUUACIJSA-N 2 2 373.453 1.882 10 0 FDAELP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2nc(C3CC3)[nH+]c3c2CCC3)CC1 ZINC000329103783 259077706 /nfs/dbraw/zinc/07/77/06/259077706.db2.gz DIZAIYSHDAUSEC-QGZVFWFLSA-N 2 2 355.486 1.586 10 0 FDAELP C[C@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CCN1C1CC[NH+](C)CC1 ZINC000329434468 259096156 /nfs/dbraw/zinc/09/61/56/259096156.db2.gz LEAZLYLGBMZECJ-INIZCTEOSA-N 2 2 368.485 1.508 10 0 FDAELP CN(C)c1[nH+]cccc1O[C@@H]1CC[N@@H+]([C@@H]2CCN(C3CCOCC3)C2=O)C1 ZINC000333275230 259329322 /nfs/dbraw/zinc/32/93/22/259329322.db2.gz DFKNBKBUIIRPHI-IAGOWNOFSA-N 2 2 374.485 1.381 10 0 FDAELP CN(C)c1[nH+]cccc1O[C@@H]1CC[N@H+]([C@@H]2CCN(C3CCOCC3)C2=O)C1 ZINC000333275230 259329323 /nfs/dbraw/zinc/32/93/23/259329323.db2.gz DFKNBKBUIIRPHI-IAGOWNOFSA-N 2 2 374.485 1.381 10 0 FDAELP C[NH+]1CCN(C(=O)c2cccc(N3CC[NH2+][C@@H](c4ccccc4)C3)n2)CC1 ZINC000065256214 522796583 /nfs/dbraw/zinc/79/65/83/522796583.db2.gz PRWPOYAUZVAWQX-LJQANCHMSA-N 2 2 365.481 1.620 10 0 FDAELP CCC(CC)[C@@H](CNC(=O)NC[C@@H](C)[NH+]1CCOCC1)[NH+]1CCCC1 ZINC000079125166 523708377 /nfs/dbraw/zinc/70/83/77/523708377.db2.gz XKRPSWYWQYQYMD-SJLPKXTDSA-N 2 2 354.539 1.907 10 0 FDAELP CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000173829614 524464767 /nfs/dbraw/zinc/46/47/67/524464767.db2.gz YBVPPLYMVIDMFH-GJZGRUSLSA-N 2 2 363.510 1.517 10 0 FDAELP CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000173829614 524464773 /nfs/dbraw/zinc/46/47/73/524464773.db2.gz YBVPPLYMVIDMFH-GJZGRUSLSA-N 2 2 363.510 1.517 10 0 FDAELP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)C[C@@H]1[NH+]1CCOCC1 ZINC000173855545 524470912 /nfs/dbraw/zinc/47/09/12/524470912.db2.gz JVHRZHJMJPTDMK-HOJAQTOUSA-N 2 2 357.498 1.830 10 0 FDAELP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)C[C@@H]1[NH+]1CCOCC1 ZINC000173855545 524470923 /nfs/dbraw/zinc/47/09/23/524470923.db2.gz JVHRZHJMJPTDMK-HOJAQTOUSA-N 2 2 357.498 1.830 10 0 FDAELP CNC(=O)c1cccc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1 ZINC000113932507 524728540 /nfs/dbraw/zinc/72/85/40/524728540.db2.gz GCCMSWQHCBPZIO-UHFFFAOYSA-N 2 2 355.486 1.839 10 0 FDAELP CNC(=O)c1cccc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1 ZINC000113932507 524728547 /nfs/dbraw/zinc/72/85/47/524728547.db2.gz GCCMSWQHCBPZIO-UHFFFAOYSA-N 2 2 355.486 1.839 10 0 FDAELP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000152221962 524817166 /nfs/dbraw/zinc/81/71/66/524817166.db2.gz GDUYLVUFGBNFHI-KRWDZBQOSA-N 2 2 363.506 1.904 10 0 FDAELP CCC[C@H](C(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1)[NH+](C)C ZINC000152493554 524904375 /nfs/dbraw/zinc/90/43/75/524904375.db2.gz JPFRQJQEZXPEKY-MRXNPFEDSA-N 2 2 361.490 1.130 10 0 FDAELP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000177245148 525258926 /nfs/dbraw/zinc/25/89/26/525258926.db2.gz CJVDVNWNTVWZQJ-NVXWUHKLSA-N 2 2 369.531 1.434 10 0 FDAELP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H]1C[N@H+](C)CCO1)Cc1ccccc1 ZINC000104793140 525439715 /nfs/dbraw/zinc/43/97/15/525439715.db2.gz IVKPPLOEPWJUJA-RTBURBONSA-N 2 2 362.518 1.569 10 0 FDAELP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1)Cc1ccccc1 ZINC000104793140 525439721 /nfs/dbraw/zinc/43/97/21/525439721.db2.gz IVKPPLOEPWJUJA-RTBURBONSA-N 2 2 362.518 1.569 10 0 FDAELP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000105279737 525486186 /nfs/dbraw/zinc/48/61/86/525486186.db2.gz YIPLWPFYHCVUPS-OAHLLOKOSA-N 2 2 370.444 1.369 10 0 FDAELP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000105279737 525486195 /nfs/dbraw/zinc/48/61/95/525486195.db2.gz YIPLWPFYHCVUPS-OAHLLOKOSA-N 2 2 370.444 1.369 10 0 FDAELP C[NH+](C)C[C@@H]1C[N@H+](CCCCCn2nnc(-c3ccccc3)n2)CCO1 ZINC000155374682 525845477 /nfs/dbraw/zinc/84/54/77/525845477.db2.gz QYHDXPFVCSEUQI-GOSISDBHSA-N 2 2 358.490 1.773 10 0 FDAELP C[NH+](C)C[C@@H]1C[N@@H+](CCCCCn2nnc(-c3ccccc3)n2)CCO1 ZINC000155374682 525845484 /nfs/dbraw/zinc/84/54/84/525845484.db2.gz QYHDXPFVCSEUQI-GOSISDBHSA-N 2 2 358.490 1.773 10 0 FDAELP O=C(NCCn1cc[nH+]c1)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000276282095 526471567 /nfs/dbraw/zinc/47/15/67/526471567.db2.gz NBELOTTWMQXQNQ-MRXNPFEDSA-N 2 2 370.457 1.741 10 0 FDAELP C[C@H](NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182944121 535891024 /nfs/dbraw/zinc/89/10/24/535891024.db2.gz QCMKTFYALIGFEI-SCTDSRPQSA-N 2 2 364.534 1.756 10 0 FDAELP C[C@H](NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182944121 535891028 /nfs/dbraw/zinc/89/10/28/535891028.db2.gz QCMKTFYALIGFEI-SCTDSRPQSA-N 2 2 364.534 1.756 10 0 FDAELP CC[C@H](O)C[NH+]1CCN(C(=O)NCc2ccc(N(CC)CC)[nH+]c2)CC1 ZINC000184812947 536185177 /nfs/dbraw/zinc/18/51/77/536185177.db2.gz LZCYISPLRNJJSI-KRWDZBQOSA-N 2 2 363.506 1.526 10 0 FDAELP C[N@H+](C[C@@H](O)COC(C)(C)C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188301449 536289148 /nfs/dbraw/zinc/28/91/48/536289148.db2.gz KICBAPFXFUSRFF-UYAOXDASSA-N 2 2 350.503 1.731 10 0 FDAELP C[N@@H+](C[C@@H](O)COC(C)(C)C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188301449 536289149 /nfs/dbraw/zinc/28/91/49/536289149.db2.gz KICBAPFXFUSRFF-UYAOXDASSA-N 2 2 350.503 1.731 10 0 FDAELP C[NH+](C[C@@H](O)COC(C)(C)C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188301449 536289150 /nfs/dbraw/zinc/28/91/50/536289150.db2.gz KICBAPFXFUSRFF-UYAOXDASSA-N 2 2 350.503 1.731 10 0 FDAELP C[NH+](C[C@@H](O)COC(C)(C)C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188301449 536289151 /nfs/dbraw/zinc/28/91/51/536289151.db2.gz KICBAPFXFUSRFF-UYAOXDASSA-N 2 2 350.503 1.731 10 0 FDAELP CNc1cc(N2CCC[C@@H]2CNC(=O)NC[C@H]2CCC[N@H+](C)C2)nc[nH+]1 ZINC000246465848 536960251 /nfs/dbraw/zinc/96/02/51/536960251.db2.gz VEWWNMMHDUPYKP-HUUCEWRRSA-N 2 2 361.494 1.128 10 0 FDAELP CNc1cc(N2CCC[C@@H]2CNC(=O)NC[C@H]2CCC[N@@H+](C)C2)nc[nH+]1 ZINC000246465848 536960255 /nfs/dbraw/zinc/96/02/55/536960255.db2.gz VEWWNMMHDUPYKP-HUUCEWRRSA-N 2 2 361.494 1.128 10 0 FDAELP CNc1cc(N2CCC[C@@H]2CNC(=O)NC[C@H]2CCC[N@H+](C)C2)[nH+]cn1 ZINC000246465848 536960262 /nfs/dbraw/zinc/96/02/62/536960262.db2.gz VEWWNMMHDUPYKP-HUUCEWRRSA-N 2 2 361.494 1.128 10 0 FDAELP O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000246851194 537038947 /nfs/dbraw/zinc/03/89/47/537038947.db2.gz DZWDWJAWICWSPK-VQTJNVASSA-N 2 2 372.513 1.767 10 0 FDAELP O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000246851194 537038950 /nfs/dbraw/zinc/03/89/50/537038950.db2.gz DZWDWJAWICWSPK-VQTJNVASSA-N 2 2 372.513 1.767 10 0 FDAELP CCOCC[N@@H+]1CCN(C(=O)NC[C@H](C)Cn2cc[nH+]c2C)C[C@@H]1CC ZINC000247186634 537091886 /nfs/dbraw/zinc/09/18/86/537091886.db2.gz SDFXZKJVCNBPEH-WMZOPIPTSA-N 2 2 365.522 1.970 10 0 FDAELP CCOCC[N@H+]1CCN(C(=O)NC[C@H](C)Cn2cc[nH+]c2C)C[C@@H]1CC ZINC000247186634 537091895 /nfs/dbraw/zinc/09/18/95/537091895.db2.gz SDFXZKJVCNBPEH-WMZOPIPTSA-N 2 2 365.522 1.970 10 0 FDAELP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000247217533 537096078 /nfs/dbraw/zinc/09/60/78/537096078.db2.gz MFOJKEHTNOTTGI-MISYRCLQSA-N 2 2 372.513 1.938 10 0 FDAELP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000247217533 537096081 /nfs/dbraw/zinc/09/60/81/537096081.db2.gz MFOJKEHTNOTTGI-MISYRCLQSA-N 2 2 372.513 1.938 10 0 FDAELP C[C@@H]([NH2+]CCNS(=O)(=O)c1cnn(C)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189885120 537109987 /nfs/dbraw/zinc/10/99/87/537109987.db2.gz KSNZRBDRBSPVHS-CQSZACIVSA-N 2 2 374.470 1.235 10 0 FDAELP Cn1cc([C@H]2CCC[N@@H+]2C[C@H](O)C[NH+]2CCC[C@H]2c2cnn(C)c2)cn1 ZINC000248744030 537210500 /nfs/dbraw/zinc/21/05/00/537210500.db2.gz RDWKNGOWRPZPGY-REPLKXPHSA-N 2 2 358.490 1.489 10 0 FDAELP Cn1cc([C@H]2CCC[N@H+]2C[C@H](O)C[NH+]2CCC[C@H]2c2cnn(C)c2)cn1 ZINC000248744030 537210501 /nfs/dbraw/zinc/21/05/01/537210501.db2.gz RDWKNGOWRPZPGY-REPLKXPHSA-N 2 2 358.490 1.489 10 0 FDAELP Cn1cc([C@H]2CCC[NH+]2C[C@H](O)C[N@@H+]2CCC[C@H]2c2cnn(C)c2)cn1 ZINC000248744030 537210502 /nfs/dbraw/zinc/21/05/02/537210502.db2.gz RDWKNGOWRPZPGY-REPLKXPHSA-N 2 2 358.490 1.489 10 0 FDAELP Cn1cc([C@H]2CCC[NH+]2C[C@H](O)C[N@H+]2CCC[C@H]2c2cnn(C)c2)cn1 ZINC000248744030 537210504 /nfs/dbraw/zinc/21/05/04/537210504.db2.gz RDWKNGOWRPZPGY-REPLKXPHSA-N 2 2 358.490 1.489 10 0 FDAELP C[C@@H]1C(=O)NCCC[NH+]1Cc1cccc(C[N@@H+]2CCCNC(=O)[C@H]2C)c1 ZINC000248889893 537219381 /nfs/dbraw/zinc/21/93/81/537219381.db2.gz ASNWTTWNNRFAQD-HZPDHXFCSA-N 2 2 358.486 1.107 10 0 FDAELP C[C@@H]1C(=O)NCCC[NH+]1Cc1cccc(C[N@H+]2CCCNC(=O)[C@H]2C)c1 ZINC000248889893 537219382 /nfs/dbraw/zinc/21/93/82/537219382.db2.gz ASNWTTWNNRFAQD-HZPDHXFCSA-N 2 2 358.486 1.107 10 0 FDAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](CCC(=O)N2CCOCC2)C1 ZINC000195253432 537378913 /nfs/dbraw/zinc/37/89/13/537378913.db2.gz JEAOGDNMNKLTSU-MRXNPFEDSA-N 2 2 366.531 1.454 10 0 FDAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)N2CCOCC2)C1 ZINC000195253432 537378920 /nfs/dbraw/zinc/37/89/20/537378920.db2.gz JEAOGDNMNKLTSU-MRXNPFEDSA-N 2 2 366.531 1.454 10 0 FDAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](CCC(=O)N2CCOCC2)C1 ZINC000195253432 537378924 /nfs/dbraw/zinc/37/89/24/537378924.db2.gz JEAOGDNMNKLTSU-MRXNPFEDSA-N 2 2 366.531 1.454 10 0 FDAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)N2CCOCC2)C1 ZINC000195253432 537378931 /nfs/dbraw/zinc/37/89/31/537378931.db2.gz JEAOGDNMNKLTSU-MRXNPFEDSA-N 2 2 366.531 1.454 10 0 FDAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](CC(=O)N2CCOCC2)C1 ZINC000195251096 537379095 /nfs/dbraw/zinc/37/90/95/537379095.db2.gz FQZUATWSVNIZCI-OAHLLOKOSA-N 2 2 352.504 1.064 10 0 FDAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N2CCOCC2)C1 ZINC000195251096 537379102 /nfs/dbraw/zinc/37/91/02/537379102.db2.gz FQZUATWSVNIZCI-OAHLLOKOSA-N 2 2 352.504 1.064 10 0 FDAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC000195251096 537379116 /nfs/dbraw/zinc/37/91/16/537379116.db2.gz FQZUATWSVNIZCI-OAHLLOKOSA-N 2 2 352.504 1.064 10 0 FDAELP CN(Cc1cnn(C)c1)C(=O)C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195271837 537385147 /nfs/dbraw/zinc/38/51/47/537385147.db2.gz IOALUPKSUDTRDO-GOSISDBHSA-N 2 2 370.501 1.227 10 0 FDAELP CN(Cc1cnn(C)c1)C(=O)C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195271837 537385154 /nfs/dbraw/zinc/38/51/54/537385154.db2.gz IOALUPKSUDTRDO-GOSISDBHSA-N 2 2 370.501 1.227 10 0 FDAELP CN(Cc1cnn(C)c1)C(=O)C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195271837 537385162 /nfs/dbraw/zinc/38/51/62/537385162.db2.gz IOALUPKSUDTRDO-GOSISDBHSA-N 2 2 370.501 1.227 10 0 FDAELP CN(Cc1cnn(C)c1)C(=O)C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195271837 537385173 /nfs/dbraw/zinc/38/51/73/537385173.db2.gz IOALUPKSUDTRDO-GOSISDBHSA-N 2 2 370.501 1.227 10 0 FDAELP C[N@@H+]1CCO[C@H](CNC(=O)NC[C@H]2CCC[NH+]2CC2CCCCC2)C1 ZINC000246010544 672479974 /nfs/dbraw/zinc/47/99/74/672479974.db2.gz HTWVSOPXKSTWIP-QZTJIDSGSA-N 2 2 352.523 1.661 10 0 FDAELP C[N@H+]1CCO[C@H](CNC(=O)NC[C@H]2CCC[NH+]2CC2CCCCC2)C1 ZINC000246010544 672479979 /nfs/dbraw/zinc/47/99/79/672479979.db2.gz HTWVSOPXKSTWIP-QZTJIDSGSA-N 2 2 352.523 1.661 10 0 FDAELP C[NH+]1CCO[C@H](CNC(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)C1 ZINC000246010544 672479984 /nfs/dbraw/zinc/47/99/84/672479984.db2.gz HTWVSOPXKSTWIP-QZTJIDSGSA-N 2 2 352.523 1.661 10 0 FDAELP C[NH+]1CCO[C@H](CNC(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)C1 ZINC000246010544 672479989 /nfs/dbraw/zinc/47/99/89/672479989.db2.gz HTWVSOPXKSTWIP-QZTJIDSGSA-N 2 2 352.523 1.661 10 0 FDAELP CS(=O)(=O)Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261884113 672688120 /nfs/dbraw/zinc/68/81/20/672688120.db2.gz FSNCBTZAPVZVRI-KSZLIROESA-N 2 2 352.500 1.478 10 0 FDAELP CCc1ccc(C[NH+]2CCN(C(=O)C3(C[NH3+])CCOCC3)CC2)s1 ZINC000262330278 672771496 /nfs/dbraw/zinc/77/14/96/672771496.db2.gz SECCFTZILQJLLW-UHFFFAOYSA-N 2 2 351.516 1.710 10 0 FDAELP COc1ccc(OC)c(Nc2nc[nH+]c(NN3CC[NH+](C)CC3)c2N)c1 ZINC000040754111 208268916 /nfs/dbraw/zinc/26/89/16/208268916.db2.gz NSFOVPBOYFLCDT-UHFFFAOYSA-N 2 2 359.434 1.394 10 0 FDAELP O=C(C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)NC(=O)NCc1cccs1 ZINC000171644435 258267440 /nfs/dbraw/zinc/26/74/40/258267440.db2.gz BSMWFROMYGAMHI-AWEZNQCLSA-N 2 2 373.482 1.903 10 0 FDAELP O=C(C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)NC(=O)NCc1cccs1 ZINC000171644435 258267441 /nfs/dbraw/zinc/26/74/41/258267441.db2.gz BSMWFROMYGAMHI-AWEZNQCLSA-N 2 2 373.482 1.903 10 0 FDAELP Nc1cc(N2CC[NH+](Cc3c[nH]nc3C3CCCCC3)CC2)nc(N)[nH+]1 ZINC000067774905 136137676 /nfs/dbraw/zinc/13/76/76/136137676.db2.gz KLVDYKTYWIDTRU-UHFFFAOYSA-N 2 2 356.478 1.734 10 0 FDAELP C[N@@H+]1CCc2[nH+]c[nH]c2C12CCN(Cc1ccc(S(C)(=O)=O)cc1)CC2 ZINC000095528372 209077558 /nfs/dbraw/zinc/07/75/58/209077558.db2.gz RZURHQCNJGXGLV-UHFFFAOYSA-N 2 2 374.510 1.792 10 0 FDAELP C[N@H+]1CCc2[nH+]c[nH]c2C12CCN(Cc1ccc(S(C)(=O)=O)cc1)CC2 ZINC000095528372 209077561 /nfs/dbraw/zinc/07/75/61/209077561.db2.gz RZURHQCNJGXGLV-UHFFFAOYSA-N 2 2 374.510 1.792 10 0 FDAELP C[C@H](CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)[NH+]1CCOCC1 ZINC000071913097 172040328 /nfs/dbraw/zinc/04/03/28/172040328.db2.gz GAYOBIJEMWQKGR-HZPDHXFCSA-N 2 2 350.463 1.436 10 0 FDAELP C[C@@H](CNC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)[NH+]1CCOCC1 ZINC000071913342 172040777 /nfs/dbraw/zinc/04/07/77/172040777.db2.gz QOFCSQWHBKITKE-JKSUJKDBSA-N 2 2 366.531 1.905 10 0 FDAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000074535384 172082481 /nfs/dbraw/zinc/08/24/81/172082481.db2.gz LHIUFCZPYMHVLY-INIZCTEOSA-N 2 2 363.506 1.934 10 0 FDAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000074535384 172082483 /nfs/dbraw/zinc/08/24/83/172082483.db2.gz LHIUFCZPYMHVLY-INIZCTEOSA-N 2 2 363.506 1.934 10 0 FDAELP C[C@@H](CNC(=O)NC[C@@H]1C[N@H+](C)CCO1)[NH+]1CCc2sccc2C1 ZINC000104782065 172385556 /nfs/dbraw/zinc/38/55/56/172385556.db2.gz UZMLFHQPQBWKSR-DZGCQCFKSA-N 2 2 352.504 1.125 10 0 FDAELP C[C@@H](CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1)[NH+]1CCc2sccc2C1 ZINC000104782065 172385557 /nfs/dbraw/zinc/38/55/57/172385557.db2.gz UZMLFHQPQBWKSR-DZGCQCFKSA-N 2 2 352.504 1.125 10 0 FDAELP C[C@@H](CNC(=O)NC[C@@H]1C[NH+](C)CCO1)[N@@H+]1CCc2sccc2C1 ZINC000104782065 172385558 /nfs/dbraw/zinc/38/55/58/172385558.db2.gz UZMLFHQPQBWKSR-DZGCQCFKSA-N 2 2 352.504 1.125 10 0 FDAELP C[C@@H](CNC(=O)NC[C@@H]1C[NH+](C)CCO1)[N@H+]1CCc2sccc2C1 ZINC000104782065 172385560 /nfs/dbraw/zinc/38/55/60/172385560.db2.gz UZMLFHQPQBWKSR-DZGCQCFKSA-N 2 2 352.504 1.125 10 0 FDAELP C[NH+](C)C[C@H]1CN(C(=O)NCc2[nH+]ccn2CCc2ccccc2)CCO1 ZINC000175920714 174036644 /nfs/dbraw/zinc/03/66/44/174036644.db2.gz IOGIZBFAECUBJG-SFHVURJKSA-N 2 2 371.485 1.598 10 0 FDAELP COC(=O)[C@H](CC(C)C)NC(=O)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178300371 174182024 /nfs/dbraw/zinc/18/20/24/174182024.db2.gz OHWLMWASXFHBQL-HOTGVXAUSA-N 2 2 350.463 1.360 10 0 FDAELP COC(=O)[C@H](CC(C)C)NC(=O)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178300371 174182027 /nfs/dbraw/zinc/18/20/27/174182027.db2.gz OHWLMWASXFHBQL-HOTGVXAUSA-N 2 2 350.463 1.360 10 0 FDAELP C[C@@H]([NH2+]CC(=O)N1CCC2(CC1)OCCO2)c1cccc(-n2cc[nH+]c2)c1 ZINC000180647750 258372231 /nfs/dbraw/zinc/37/22/31/258372231.db2.gz LXRFELYTBBBTGA-MRXNPFEDSA-N 2 2 370.453 1.888 10 0 FDAELP C[NH+](C)[C@H](CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)c1cccs1 ZINC000173784382 258310737 /nfs/dbraw/zinc/31/07/37/258310737.db2.gz YOUDZUWZLMBBGA-HUUCEWRRSA-N 2 2 352.504 1.467 10 0 FDAELP O=C(NC1CC[NH+](CC2CCCC2)CC1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173796523 258310843 /nfs/dbraw/zinc/31/08/43/258310843.db2.gz XWLURHHSPIISAJ-IBGZPJMESA-N 2 2 364.534 1.757 10 0 FDAELP CC[NH+]1CCN(c2ccc(C(=O)N3CC[C@@H]([NH+]4CCOCC4)C3)cc2)CC1 ZINC000173978337 258316339 /nfs/dbraw/zinc/31/63/39/258316339.db2.gz LHEBOUPQIRJFMX-HXUWFJFHSA-N 2 2 372.513 1.375 10 0 FDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)Nc1cccc(C(=O)N(C)C)c1 ZINC000178749122 258334361 /nfs/dbraw/zinc/33/43/61/258334361.db2.gz QVCXZVDFXPSHJD-SFHVURJKSA-N 2 2 369.469 1.996 10 0 FDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1cccc(C(=O)N(C)C)c1 ZINC000178749122 258334362 /nfs/dbraw/zinc/33/43/62/258334362.db2.gz QVCXZVDFXPSHJD-SFHVURJKSA-N 2 2 369.469 1.996 10 0 FDAELP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCC(Cn3cccn3)CC2)CC1 ZINC000179305896 258348321 /nfs/dbraw/zinc/34/83/21/258348321.db2.gz CMQHXPZWMDDMJN-UHFFFAOYSA-N 2 2 362.522 1.331 10 0 FDAELP CCCOc1c(Br)cc(C[NH2+]CC[NH2+]CCO)cc1OC ZINC000020968218 520289504 /nfs/dbraw/zinc/28/95/04/520289504.db2.gz SEPDYUOXURIXGI-UHFFFAOYSA-N 2 2 361.280 1.918 10 0 FDAELP CC(C)[NH+](CCCNC(=O)C[NH+]1CCN(c2ccccn2)CC1)C(C)C ZINC000074330073 522753762 /nfs/dbraw/zinc/75/37/62/522753762.db2.gz CSHRQBRIEPZTPA-UHFFFAOYSA-N 2 2 361.534 1.829 10 0 FDAELP CC(C)[C@H](CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C)N1CC[NH+](C)CC1 ZINC000112914093 524587967 /nfs/dbraw/zinc/58/79/67/524587967.db2.gz LLGKMDIJPBCTKT-PMACEKPBSA-N 2 2 360.546 1.548 10 0 FDAELP CC(C)[C@H](CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C)[NH+]1CCN(C)CC1 ZINC000112914093 524587978 /nfs/dbraw/zinc/58/79/78/524587978.db2.gz LLGKMDIJPBCTKT-PMACEKPBSA-N 2 2 360.546 1.548 10 0 FDAELP CC[NH+]1CCN(C(=O)NC[C@@H](c2ccc(C)s2)[NH+]2CCOCC2)CC1 ZINC000174977517 524819510 /nfs/dbraw/zinc/81/95/10/524819510.db2.gz LAPPGNWERGINQT-INIZCTEOSA-N 2 2 366.531 1.777 10 0 FDAELP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@H]2C[N@H+](C)CCO2)CC1 ZINC000116434183 525153069 /nfs/dbraw/zinc/15/30/69/525153069.db2.gz BVHMOWHMBLBNSE-LPHOPBHVSA-N 2 2 360.502 1.842 10 0 FDAELP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000116434183 525153083 /nfs/dbraw/zinc/15/30/83/525153083.db2.gz BVHMOWHMBLBNSE-LPHOPBHVSA-N 2 2 360.502 1.842 10 0 FDAELP CCOCC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)C[C@@H]1C ZINC000117522011 525358355 /nfs/dbraw/zinc/35/83/55/525358355.db2.gz WMZHQBAPTQUJDZ-HNNXBMFYSA-N 2 2 374.485 1.140 10 0 FDAELP CCOCC[N@H+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)C[C@@H]1C ZINC000117522011 525358360 /nfs/dbraw/zinc/35/83/60/525358360.db2.gz WMZHQBAPTQUJDZ-HNNXBMFYSA-N 2 2 374.485 1.140 10 0 FDAELP CCOCC[NH+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)C[C@@H]1C ZINC000117522011 525358367 /nfs/dbraw/zinc/35/83/67/525358367.db2.gz WMZHQBAPTQUJDZ-HNNXBMFYSA-N 2 2 374.485 1.140 10 0 FDAELP CCOCC[NH+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)C[C@@H]1C ZINC000117522011 525358375 /nfs/dbraw/zinc/35/83/75/525358375.db2.gz WMZHQBAPTQUJDZ-HNNXBMFYSA-N 2 2 374.485 1.140 10 0 FDAELP C[N@@H+]1CCO[C@@H](CNC(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000105278892 525487136 /nfs/dbraw/zinc/48/71/36/525487136.db2.gz PDZBDCNVRHVRJM-SFHVURJKSA-N 2 2 362.474 1.013 10 0 FDAELP C[N@H+]1CCO[C@@H](CNC(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000105278892 525487143 /nfs/dbraw/zinc/48/71/43/525487143.db2.gz PDZBDCNVRHVRJM-SFHVURJKSA-N 2 2 362.474 1.013 10 0 FDAELP CCC(CC)NC(=O)[C@@H](C)[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000106121732 525611613 /nfs/dbraw/zinc/61/16/13/525611613.db2.gz QOVFQLIGNYMKNA-MJGOQNOKSA-N 2 2 368.566 1.407 10 0 FDAELP CCC(CC)NC(=O)[C@@H](C)[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000106121732 525611615 /nfs/dbraw/zinc/61/16/15/525611615.db2.gz QOVFQLIGNYMKNA-MJGOQNOKSA-N 2 2 368.566 1.407 10 0 FDAELP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H](C)[NH+]1CCOCC1)c1ccco1 ZINC000129098017 525615037 /nfs/dbraw/zinc/61/50/37/525615037.db2.gz YWNOKGGKQCAHJW-HOTGVXAUSA-N 2 2 352.479 1.682 10 0 FDAELP CCCCCCNC(=O)C[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000106122839 525618328 /nfs/dbraw/zinc/61/83/28/525618328.db2.gz VQMKLHPWKVRWPX-LJQANCHMSA-N 2 2 368.566 1.410 10 0 FDAELP CCCCCCNC(=O)C[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000106122839 525618335 /nfs/dbraw/zinc/61/83/35/525618335.db2.gz VQMKLHPWKVRWPX-LJQANCHMSA-N 2 2 368.566 1.410 10 0 FDAELP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106130582 525624092 /nfs/dbraw/zinc/62/40/92/525624092.db2.gz KYOBSJHPPMUCEK-MJGOQNOKSA-N 2 2 361.534 1.974 10 0 FDAELP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106130582 525624097 /nfs/dbraw/zinc/62/40/97/525624097.db2.gz KYOBSJHPPMUCEK-MJGOQNOKSA-N 2 2 361.534 1.974 10 0 FDAELP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000170708168 525689572 /nfs/dbraw/zinc/68/95/72/525689572.db2.gz INILSLLIXPYEGO-QGZVFWFLSA-N 2 2 361.490 1.199 10 0 FDAELP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000170708168 525689577 /nfs/dbraw/zinc/68/95/77/525689577.db2.gz INILSLLIXPYEGO-QGZVFWFLSA-N 2 2 361.490 1.199 10 0 FDAELP CCCCOC(=O)CC[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000155103987 525743956 /nfs/dbraw/zinc/74/39/56/525743956.db2.gz LUVHUYKNWULQGP-GOSISDBHSA-N 2 2 355.523 1.447 10 0 FDAELP CCCCOC(=O)CC[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000155103987 525743967 /nfs/dbraw/zinc/74/39/67/525743967.db2.gz LUVHUYKNWULQGP-GOSISDBHSA-N 2 2 355.523 1.447 10 0 FDAELP C[NH+](C)[C@@H]1CCN(C(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)C1 ZINC000170864527 525744733 /nfs/dbraw/zinc/74/47/33/525744733.db2.gz JOACWGAFEAZGFJ-QGZVFWFLSA-N 2 2 355.442 1.688 10 0 FDAELP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cn1 ZINC000106907715 525821008 /nfs/dbraw/zinc/82/10/08/525821008.db2.gz GVPFYDQIPSZZPL-IBGZPJMESA-N 2 2 367.497 1.945 10 0 FDAELP O=C([C@H](c1ccccc1)[NH+]1CCC(O)CC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000171451631 525999732 /nfs/dbraw/zinc/99/97/32/525999732.db2.gz HWDGYOQOHGRHAX-QUCCMNQESA-N 2 2 357.498 1.881 10 0 FDAELP O=C([C@H](c1ccccc1)[NH+]1CCC(O)CC1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000171451631 525999735 /nfs/dbraw/zinc/99/97/35/525999735.db2.gz HWDGYOQOHGRHAX-QUCCMNQESA-N 2 2 357.498 1.881 10 0 FDAELP C[C@@H]1C[N@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCS1 ZINC000171687404 526078361 /nfs/dbraw/zinc/07/83/61/526078361.db2.gz OAJJXQCUXCVAQM-MRXNPFEDSA-N 2 2 355.548 1.575 10 0 FDAELP C[C@@H]1C[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCS1 ZINC000171687404 526078367 /nfs/dbraw/zinc/07/83/67/526078367.db2.gz OAJJXQCUXCVAQM-MRXNPFEDSA-N 2 2 355.548 1.575 10 0 FDAELP CN(C(=O)NCCCn1cc[nH+]c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000109390495 526121098 /nfs/dbraw/zinc/12/10/98/526121098.db2.gz ODFVWQQYVLYVBG-UHFFFAOYSA-N 2 2 359.478 1.276 10 0 FDAELP C[C@@H]1CN(C(=O)NC[C@H](c2cccs2)[NH+](C)C)C[C@H]1[NH+]1CCOCC1 ZINC000246507467 536969660 /nfs/dbraw/zinc/96/96/60/536969660.db2.gz NNBWYMRAGUKSNK-BZUAXINKSA-N 2 2 366.531 1.713 10 0 FDAELP C[NH+]1CCN([C@H](C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c2ccccc2)CC1 ZINC000246514008 536969976 /nfs/dbraw/zinc/96/99/76/536969976.db2.gz UWLDGUGDMMFWIC-PMACEKPBSA-N 2 2 356.514 1.672 10 0 FDAELP C[NH+]1CCN([C@H](C(=O)N2CC[N@H+]3CCCC[C@H]3C2)c2ccccc2)CC1 ZINC000246514008 536969977 /nfs/dbraw/zinc/96/99/77/536969977.db2.gz UWLDGUGDMMFWIC-PMACEKPBSA-N 2 2 356.514 1.672 10 0 FDAELP O=C(NC1CC[NH+](CCOc2ccc(F)cc2)CC1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263162439 536985006 /nfs/dbraw/zinc/98/50/06/536985006.db2.gz DYHUXBGJVIFCIU-MRXNPFEDSA-N 2 2 371.403 1.782 10 0 FDAELP COc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CC(F)(F)C[NH2+]3)C2)cc(OC)c1 ZINC000263317938 537016406 /nfs/dbraw/zinc/01/64/06/537016406.db2.gz ZTKRILXOQHAFPM-BBRMVZONSA-N 2 2 369.412 1.392 10 0 FDAELP COc1cc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CC(F)(F)C[NH2+]3)C2)cc(OC)c1 ZINC000263317938 537016408 /nfs/dbraw/zinc/01/64/08/537016408.db2.gz ZTKRILXOQHAFPM-BBRMVZONSA-N 2 2 369.412 1.392 10 0 FDAELP O=C([C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000246839400 537037116 /nfs/dbraw/zinc/03/71/16/537037116.db2.gz DHWZIDNDGKURKO-VQTJNVASSA-N 2 2 357.498 1.832 10 0 FDAELP O=C([C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000246839400 537037120 /nfs/dbraw/zinc/03/71/20/537037120.db2.gz DHWZIDNDGKURKO-VQTJNVASSA-N 2 2 357.498 1.832 10 0 FDAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H]2CCN(CC(F)(F)F)C2=O)nc[nH+]1 ZINC000247596568 537138978 /nfs/dbraw/zinc/13/89/78/537138978.db2.gz OJFHCWIPHMMEBD-NEPJUHHUSA-N 2 2 372.395 1.240 10 0 FDAELP CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000247814415 537152647 /nfs/dbraw/zinc/15/26/47/537152647.db2.gz VWMZUQHBWTVLFC-KSZLIROESA-N 2 2 354.539 1.016 10 0 FDAELP CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000247814415 537152650 /nfs/dbraw/zinc/15/26/50/537152650.db2.gz VWMZUQHBWTVLFC-KSZLIROESA-N 2 2 354.539 1.016 10 0 FDAELP CC[C@H]1CN(C(=O)NCc2ccccc2-n2cc[nH+]c2)CC[N@@H+]1C[C@H](C)O ZINC000248431101 537181437 /nfs/dbraw/zinc/18/14/37/537181437.db2.gz BJSSTNLWOGFVQU-WMZOPIPTSA-N 2 2 371.485 1.859 10 0 FDAELP CC[C@H]1CN(C(=O)NCc2ccccc2-n2cc[nH+]c2)CC[N@H+]1C[C@H](C)O ZINC000248431101 537181439 /nfs/dbraw/zinc/18/14/39/537181439.db2.gz BJSSTNLWOGFVQU-WMZOPIPTSA-N 2 2 371.485 1.859 10 0 FDAELP C[NH+]1CCO[C@@H]([C@@H](NC[C@@H]2C[N@H+](C)CCO2)c2ccc(Cl)cc2)C1 ZINC000248714207 537208405 /nfs/dbraw/zinc/20/84/05/537208405.db2.gz KBWHHSPNERMCMV-KURKYZTESA-N 2 2 353.894 1.632 10 0 FDAELP C[NH+]1CCO[C@@H]([C@@H](NC[C@@H]2C[N@@H+](C)CCO2)c2ccc(Cl)cc2)C1 ZINC000248714207 537208406 /nfs/dbraw/zinc/20/84/06/537208406.db2.gz KBWHHSPNERMCMV-KURKYZTESA-N 2 2 353.894 1.632 10 0 FDAELP C[NH+]1CCO[C@H](CN[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)C1 ZINC000248714207 537208407 /nfs/dbraw/zinc/20/84/07/537208407.db2.gz KBWHHSPNERMCMV-KURKYZTESA-N 2 2 353.894 1.632 10 0 FDAELP C[NH+]1CCO[C@H](CN[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000248714207 537208408 /nfs/dbraw/zinc/20/84/08/537208408.db2.gz KBWHHSPNERMCMV-KURKYZTESA-N 2 2 353.894 1.632 10 0 FDAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](c2ncc[nH]2)c2cccnc2)nc[nH+]1 ZINC000248817254 537213651 /nfs/dbraw/zinc/21/36/51/537213651.db2.gz ARSDARIMIJITKY-CRAIPNDOSA-N 2 2 364.457 1.984 10 0 FDAELP CC[NH+](CC)[C@@H](C)CNC(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000248877012 537218173 /nfs/dbraw/zinc/21/81/73/537218173.db2.gz ODPRQGQVNQVJBA-HOTGVXAUSA-N 2 2 363.506 1.836 10 0 FDAELP CCOCC[N@@H+]1CCN(c2cc(N3CCSCC3)[nH+]cn2)C[C@@H]1CC ZINC000192305667 537222977 /nfs/dbraw/zinc/22/29/77/537222977.db2.gz YPACEDPRBLHWGD-INIZCTEOSA-N 2 2 365.547 1.967 10 0 FDAELP CCOCC[N@H+]1CCN(c2cc(N3CCSCC3)[nH+]cn2)C[C@@H]1CC ZINC000192305667 537222979 /nfs/dbraw/zinc/22/29/79/537222979.db2.gz YPACEDPRBLHWGD-INIZCTEOSA-N 2 2 365.547 1.967 10 0 FDAELP C([NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)C1([NH+]2CCCCC2)CCOCC1 ZINC000261990173 537253594 /nfs/dbraw/zinc/25/35/94/537253594.db2.gz SOQIIILWBIFQLP-QRVBRYPASA-N 3 2 351.535 1.768 10 0 FDAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](CCCN2C(=O)CNC2=O)C1 ZINC000195252038 178250327 /nfs/dbraw/zinc/25/03/27/178250327.db2.gz HALUQBCZLXMICB-AWEZNQCLSA-N 2 2 365.503 1.147 10 0 FDAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](CCCN2C(=O)CNC2=O)C1 ZINC000195252038 178250330 /nfs/dbraw/zinc/25/03/30/178250330.db2.gz HALUQBCZLXMICB-AWEZNQCLSA-N 2 2 365.503 1.147 10 0 FDAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](CCCN2C(=O)CNC2=O)C1 ZINC000195252038 178250331 /nfs/dbraw/zinc/25/03/31/178250331.db2.gz HALUQBCZLXMICB-AWEZNQCLSA-N 2 2 365.503 1.147 10 0 FDAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](CCCN2C(=O)CNC2=O)C1 ZINC000195252038 178250334 /nfs/dbraw/zinc/25/03/34/178250334.db2.gz HALUQBCZLXMICB-AWEZNQCLSA-N 2 2 365.503 1.147 10 0 FDAELP C[C@H](O)C[N@@H+]1CCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)C[C@H]1C ZINC000245853236 178383960 /nfs/dbraw/zinc/38/39/60/178383960.db2.gz GSCNWDVFUVBEIJ-CVEARBPZSA-N 2 2 361.490 1.147 10 0 FDAELP C[C@H](O)C[N@H+]1CCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)C[C@H]1C ZINC000245853236 178383962 /nfs/dbraw/zinc/38/39/62/178383962.db2.gz GSCNWDVFUVBEIJ-CVEARBPZSA-N 2 2 361.490 1.147 10 0 FDAELP Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cn1 ZINC000262392835 178730271 /nfs/dbraw/zinc/73/02/71/178730271.db2.gz YAASAGLVFDTBNP-CABCVRRESA-N 2 2 354.389 1.687 10 0 FDAELP Cc1noc(C)c1C[N@H+]1CCC[C@]2(CN(Cc3[nH+]ccn3C)CCO2)C1 ZINC000096074931 209108637 /nfs/dbraw/zinc/10/86/37/209108637.db2.gz CSOQCCWBZCGGGF-LJQANCHMSA-N 2 2 359.474 1.892 10 0 FDAELP Cc1noc(C)c1C[N@@H+]1CCC[C@]2(CN(Cc3[nH+]ccn3C)CCO2)C1 ZINC000096074931 209108640 /nfs/dbraw/zinc/10/86/40/209108640.db2.gz CSOQCCWBZCGGGF-LJQANCHMSA-N 2 2 359.474 1.892 10 0 FDAELP Cc1ccc(C[N@@H+]2CCNC(=O)[C@H]2CC(=O)NCC(C)(C)C[NH+](C)C)cc1 ZINC000012458514 207381620 /nfs/dbraw/zinc/38/16/20/207381620.db2.gz HIVWBDVGPBKWCO-GOSISDBHSA-N 2 2 374.529 1.390 10 0 FDAELP Cc1ccc(C[N@H+]2CCNC(=O)[C@H]2CC(=O)NCC(C)(C)C[NH+](C)C)cc1 ZINC000012458514 207381623 /nfs/dbraw/zinc/38/16/23/207381623.db2.gz HIVWBDVGPBKWCO-GOSISDBHSA-N 2 2 374.529 1.390 10 0 FDAELP COCC[NH+]1CCN(C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000173455463 258299797 /nfs/dbraw/zinc/29/97/97/258299797.db2.gz NNQBDRKUHYURDG-INIZCTEOSA-N 2 2 357.458 1.907 10 0 FDAELP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)cn2)CC1 ZINC000092812740 172305453 /nfs/dbraw/zinc/30/54/53/172305453.db2.gz HUVRZGVGXJUONO-KRWDZBQOSA-N 3 2 367.501 1.557 10 0 FDAELP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)cn2)CC1 ZINC000092812740 172305454 /nfs/dbraw/zinc/30/54/54/172305454.db2.gz HUVRZGVGXJUONO-KRWDZBQOSA-N 3 2 367.501 1.557 10 0 FDAELP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@@H](CNc4ccccn4)C3)cn2)CC1 ZINC000092812740 172305456 /nfs/dbraw/zinc/30/54/56/172305456.db2.gz HUVRZGVGXJUONO-KRWDZBQOSA-N 2 2 367.501 1.557 10 0 FDAELP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@@H](CNc4ccccn4)C3)cn2)CC1 ZINC000092812740 172305458 /nfs/dbraw/zinc/30/54/58/172305458.db2.gz HUVRZGVGXJUONO-KRWDZBQOSA-N 2 2 367.501 1.557 10 0 FDAELP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000151341153 173398056 /nfs/dbraw/zinc/39/80/56/173398056.db2.gz DSKRAXWYWOXGHL-GOEBONIOSA-N 2 2 355.504 1.092 10 0 FDAELP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](c2ccc(C)s2)[NH+]2CCOCC2)C1 ZINC000177970247 174165471 /nfs/dbraw/zinc/16/54/71/174165471.db2.gz HTINZHWQRIPRGU-JKSUJKDBSA-N 2 2 367.515 1.267 10 0 FDAELP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](c2ccc(C)s2)[NH+]2CCOCC2)C1 ZINC000177970247 174165474 /nfs/dbraw/zinc/16/54/74/174165474.db2.gz HTINZHWQRIPRGU-JKSUJKDBSA-N 2 2 367.515 1.267 10 0 FDAELP COc1ccc([C@H](C)C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000180049862 258361289 /nfs/dbraw/zinc/36/12/89/258361289.db2.gz DRAICAWQVFEYOD-SJLPKXTDSA-N 2 2 361.486 1.321 10 0 FDAELP CC(C)[C@H](CNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)[NH+]1CCC(C)CC1 ZINC000173776768 258310780 /nfs/dbraw/zinc/31/07/80/258310780.db2.gz FHYPGSHITUDHEY-OALUTQOASA-N 2 2 366.550 1.859 10 0 FDAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)C(=O)NCc2ccccc2)nc[nH+]1 ZINC000174284882 258322949 /nfs/dbraw/zinc/32/29/49/258322949.db2.gz ZYORKYUYLOXMNP-NVXWUHKLSA-N 2 2 368.485 1.782 10 0 FDAELP COc1cc(C[N@@H+](Cc2ccco2)C[C@H](O)C[NH3+])cc(OC)c1OC ZINC000026509436 519125940 /nfs/dbraw/zinc/12/59/40/519125940.db2.gz PSANHTQPTKMGCV-CQSZACIVSA-N 2 2 350.415 1.627 10 0 FDAELP COc1cc(C[N@H+](Cc2ccco2)C[C@H](O)C[NH3+])cc(OC)c1OC ZINC000026509436 519125949 /nfs/dbraw/zinc/12/59/49/519125949.db2.gz PSANHTQPTKMGCV-CQSZACIVSA-N 2 2 350.415 1.627 10 0 FDAELP [NH3+][C@@H]1[C@@H]([NH3+])[C@@H]2O[C@H](c3ccccc3)OC[C@H]2O[C@@H]1OCc1ccccc1 ZINC000035589906 519610294 /nfs/dbraw/zinc/61/02/94/519610294.db2.gz OJLNDEYLFMDMER-PJBUMPDVSA-N 2 2 356.422 1.697 10 0 FDAELP C[C@@H](CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)[NH+]1CCOCC1 ZINC000047777663 522600717 /nfs/dbraw/zinc/60/07/17/522600717.db2.gz WTUQCCLPTNCSDU-IRXDYDNUSA-N 2 2 364.490 1.827 10 0 FDAELP C[C@@H](CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000173859914 524473674 /nfs/dbraw/zinc/47/36/74/524473674.db2.gz BMSLLFZPIQWLDL-PKOBYXMFSA-N 2 2 360.502 1.623 10 0 FDAELP C[C@@H](CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000173859914 524473685 /nfs/dbraw/zinc/47/36/85/524473685.db2.gz BMSLLFZPIQWLDL-PKOBYXMFSA-N 2 2 360.502 1.623 10 0 FDAELP Cc1ccc([C@H](O)C[NH+]2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)cc1 ZINC000174782876 524736450 /nfs/dbraw/zinc/73/64/50/524736450.db2.gz JCUSTNAYSIWQHF-NHCUHLMSSA-N 2 2 361.530 1.755 10 0 FDAELP Cc1ccc([C@H](O)C[NH+]2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)cc1 ZINC000174782876 524736458 /nfs/dbraw/zinc/73/64/58/524736458.db2.gz JCUSTNAYSIWQHF-NHCUHLMSSA-N 2 2 361.530 1.755 10 0 FDAELP Cc1ccc([C@@H](O)C[NH+]2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)cc1 ZINC000174782885 524737300 /nfs/dbraw/zinc/73/73/00/524737300.db2.gz JCUSTNAYSIWQHF-RTWAWAEBSA-N 2 2 361.530 1.755 10 0 FDAELP Cc1ccc([C@@H](O)C[NH+]2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)cc1 ZINC000174782885 524737309 /nfs/dbraw/zinc/73/73/09/524737309.db2.gz JCUSTNAYSIWQHF-RTWAWAEBSA-N 2 2 361.530 1.755 10 0 FDAELP C[NH+](C)C[C@H](NC(=O)C[NH+]1CCN(c2ccccn2)CC1)c1ccccc1 ZINC000175036215 524845293 /nfs/dbraw/zinc/84/52/93/524845293.db2.gz CPVCQHSRCAVDSF-IBGZPJMESA-N 2 2 367.497 1.623 10 0 FDAELP COCC[N@@H+]1CCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccc(F)cc2)C[C@@H]1C ZINC000176340788 525085490 /nfs/dbraw/zinc/08/54/90/525085490.db2.gz KOGJXEXEPQTLJJ-LPHOPBHVSA-N 2 2 363.477 1.969 10 0 FDAELP COCC[N@H+]1CCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccc(F)cc2)C[C@@H]1C ZINC000176340788 525085502 /nfs/dbraw/zinc/08/55/02/525085502.db2.gz KOGJXEXEPQTLJJ-LPHOPBHVSA-N 2 2 363.477 1.969 10 0 FDAELP COCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)C[C@@H]1C ZINC000176340788 525085510 /nfs/dbraw/zinc/08/55/10/525085510.db2.gz KOGJXEXEPQTLJJ-LPHOPBHVSA-N 2 2 363.477 1.969 10 0 FDAELP COCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)C[C@@H]1C ZINC000176340788 525085523 /nfs/dbraw/zinc/08/55/23/525085523.db2.gz KOGJXEXEPQTLJJ-LPHOPBHVSA-N 2 2 363.477 1.969 10 0 FDAELP CCc1ccc(C[NH+]2CCN(C(=O)NC[C@@H]3C[N@@H+](C)CCO3)CC2)s1 ZINC000125794637 525236357 /nfs/dbraw/zinc/23/63/57/525236357.db2.gz GLOUFYIILFFQBD-OAHLLOKOSA-N 2 2 366.531 1.468 10 0 FDAELP CCC[C@@H]1CN(c2cc(N3CCC[C@@H]3CO)[nH+]cn2)CC[N@H+]1CCOC ZINC000162452817 525261516 /nfs/dbraw/zinc/26/15/16/525261516.db2.gz SHYQOANHJARENH-IAGOWNOFSA-N 2 2 363.506 1.375 10 0 FDAELP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NC[C@H](C)[NH+]2CCOCC2)CC1 ZINC000163954434 525466563 /nfs/dbraw/zinc/46/65/63/525466563.db2.gz CQKJQHOEYYLBJK-JKSUJKDBSA-N 2 2 366.531 1.857 10 0 FDAELP C[NH+]1CCC([NH+]2CCC(NC(=O)NC[C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000154332338 525498120 /nfs/dbraw/zinc/49/81/20/525498120.db2.gz VGBARMGOLLBYCI-CRAIPNDOSA-N 2 2 352.523 1.395 10 0 FDAELP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000106427265 525724111 /nfs/dbraw/zinc/72/41/11/525724111.db2.gz VTLRFTCWZAMGEG-FQEVSTJZSA-N 2 2 352.482 1.899 10 0 FDAELP Cc1cccc2[nH+]c(CNC(=O)N(C)CC3CC[NH+](C[C@H](C)O)CC3)cn21 ZINC000181738012 525911454 /nfs/dbraw/zinc/91/14/54/525911454.db2.gz OPNDTGFYFPWLFQ-INIZCTEOSA-N 2 2 373.501 1.877 10 0 FDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)NCC(=O)OC(C)(C)C)C1 ZINC000181852912 525956419 /nfs/dbraw/zinc/95/64/19/525956419.db2.gz YLTOELPPDXCYAJ-CQSZACIVSA-N 2 2 350.463 1.540 10 0 FDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)NCC(=O)OC(C)(C)C)C1 ZINC000181852912 525956426 /nfs/dbraw/zinc/95/64/26/525956426.db2.gz YLTOELPPDXCYAJ-CQSZACIVSA-N 2 2 350.463 1.540 10 0 FDAELP CC[C@@H]1CN(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC[N@@H+]1C[C@@H](C)O ZINC000182044033 526032294 /nfs/dbraw/zinc/03/22/94/526032294.db2.gz FIRGKJXUCQUORY-BRWVUGGUSA-N 2 2 361.490 1.147 10 0 FDAELP CC[C@@H]1CN(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC[N@H+]1C[C@@H](C)O ZINC000182044033 526032304 /nfs/dbraw/zinc/03/23/04/526032304.db2.gz FIRGKJXUCQUORY-BRWVUGGUSA-N 2 2 361.490 1.147 10 0 FDAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCCC[C@H]2c2cn[nH]c2)C1 ZINC000246292424 536919063 /nfs/dbraw/zinc/91/90/63/536919063.db2.gz BAFRQKPZQPXUDM-MSOLQXFVSA-N 2 2 363.506 1.410 10 0 FDAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCCC[C@H]2c2cn[nH]c2)C1 ZINC000246292424 536919066 /nfs/dbraw/zinc/91/90/66/536919066.db2.gz BAFRQKPZQPXUDM-MSOLQXFVSA-N 2 2 363.506 1.410 10 0 FDAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)C1 ZINC000246292424 536919071 /nfs/dbraw/zinc/91/90/71/536919071.db2.gz BAFRQKPZQPXUDM-MSOLQXFVSA-N 2 2 363.506 1.410 10 0 FDAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCCC[C@H]2c2cn[nH]c2)C1 ZINC000246292424 536919073 /nfs/dbraw/zinc/91/90/73/536919073.db2.gz BAFRQKPZQPXUDM-MSOLQXFVSA-N 2 2 363.506 1.410 10 0 FDAELP C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000246382770 536941427 /nfs/dbraw/zinc/94/14/27/536941427.db2.gz HQYUWOPOSWCBKD-ZWKOTPCHSA-N 2 2 352.523 1.615 10 0 FDAELP C[N@H+]1CCO[C@H](CNC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000246382770 536941430 /nfs/dbraw/zinc/94/14/30/536941430.db2.gz HQYUWOPOSWCBKD-ZWKOTPCHSA-N 2 2 352.523 1.615 10 0 FDAELP CCC(CC)[C@H](C(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1)[NH+]1CCOCC1 ZINC000246613823 536990997 /nfs/dbraw/zinc/99/09/97/536990997.db2.gz CNUNWPMHTYBFLV-XYJFISCASA-N 2 2 355.523 1.037 10 0 FDAELP CCC(CC)[C@H](C(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1)[NH+]1CCOCC1 ZINC000246613823 536991001 /nfs/dbraw/zinc/99/10/01/536991001.db2.gz CNUNWPMHTYBFLV-XYJFISCASA-N 2 2 355.523 1.037 10 0 FDAELP CN1CC[NH2+]C[C@H]1c1noc(C[C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000263304807 537013467 /nfs/dbraw/zinc/01/34/67/537013467.db2.gz XQOYHMNSFHERSS-IRXDYDNUSA-N 2 2 357.458 1.089 10 0 FDAELP CN1CC[NH2+]C[C@H]1c1noc(C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000263304807 537013471 /nfs/dbraw/zinc/01/34/71/537013471.db2.gz XQOYHMNSFHERSS-IRXDYDNUSA-N 2 2 357.458 1.089 10 0 FDAELP CCC(CC)[C@@H](C(=O)N1CC[N@H+](CCOC)[C@H](CC)C1)[NH+]1CCOCC1 ZINC000246874977 537042829 /nfs/dbraw/zinc/04/28/29/537042829.db2.gz WHDKPQNXXYHMOA-MOPGFXCFSA-N 2 2 369.550 1.693 10 0 FDAELP CCC(CC)[C@@H](C(=O)N1CC[N@@H+](CCOC)[C@H](CC)C1)[NH+]1CCOCC1 ZINC000246874977 537042832 /nfs/dbraw/zinc/04/28/32/537042832.db2.gz WHDKPQNXXYHMOA-MOPGFXCFSA-N 2 2 369.550 1.693 10 0 FDAELP C[C@H]1CN([C@H](CNC(=O)NCCn2cc[nH+]c2)c2cccs2)CCO1 ZINC000246995077 537065989 /nfs/dbraw/zinc/06/59/89/537065989.db2.gz QUUIXVKBOJVFDS-LSDHHAIUSA-N 2 2 363.487 1.706 10 0 FDAELP C[C@H]1C[N@@H+]([C@H](CNC(=O)NCCn2cc[nH+]c2)c2cccs2)CCO1 ZINC000246995077 537065992 /nfs/dbraw/zinc/06/59/92/537065992.db2.gz QUUIXVKBOJVFDS-LSDHHAIUSA-N 2 2 363.487 1.706 10 0 FDAELP C[C@H]1C[N@H+]([C@H](CNC(=O)NCCn2cc[nH+]c2)c2cccs2)CCO1 ZINC000246995077 537065996 /nfs/dbraw/zinc/06/59/96/537065996.db2.gz QUUIXVKBOJVFDS-LSDHHAIUSA-N 2 2 363.487 1.706 10 0 FDAELP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)C[C@@H]1[NH+]1CCOCC1 ZINC000247234419 537098724 /nfs/dbraw/zinc/09/87/24/537098724.db2.gz XGGHNJVWVKITEJ-YZGWKJHDSA-N 2 2 373.497 1.067 10 0 FDAELP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C[C@@H]1[NH+]1CCOCC1 ZINC000247234419 537098728 /nfs/dbraw/zinc/09/87/28/537098728.db2.gz XGGHNJVWVKITEJ-YZGWKJHDSA-N 2 2 373.497 1.067 10 0 FDAELP COC(=O)Cn1cc(CC[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)nn1 ZINC000189902831 537112901 /nfs/dbraw/zinc/11/29/01/537112901.db2.gz XZOOFWXVRUVRIJ-AWEZNQCLSA-N 2 2 354.414 1.530 10 0 FDAELP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248644817 537200854 /nfs/dbraw/zinc/20/08/54/537200854.db2.gz FPZWTAOZBLBYPY-NEWSRXKRSA-N 2 2 360.502 1.519 10 0 FDAELP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248644817 537200856 /nfs/dbraw/zinc/20/08/56/537200856.db2.gz FPZWTAOZBLBYPY-NEWSRXKRSA-N 2 2 360.502 1.519 10 0 FDAELP C[C@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248644817 537200858 /nfs/dbraw/zinc/20/08/58/537200858.db2.gz FPZWTAOZBLBYPY-NEWSRXKRSA-N 2 2 360.502 1.519 10 0 FDAELP C[C@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248644817 537200859 /nfs/dbraw/zinc/20/08/59/537200859.db2.gz FPZWTAOZBLBYPY-NEWSRXKRSA-N 2 2 360.502 1.519 10 0 FDAELP CCS(=O)(=O)NCCC[N@@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195267438 537383144 /nfs/dbraw/zinc/38/31/44/537383144.db2.gz YEKRSQQOBVXUSH-OAHLLOKOSA-N 2 2 374.576 1.535 10 0 FDAELP CCS(=O)(=O)NCCC[N@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195267438 537383150 /nfs/dbraw/zinc/38/31/50/537383150.db2.gz YEKRSQQOBVXUSH-OAHLLOKOSA-N 2 2 374.576 1.535 10 0 FDAELP CCS(=O)(=O)NCCC[NH+]1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195267438 537383157 /nfs/dbraw/zinc/38/31/57/537383157.db2.gz YEKRSQQOBVXUSH-OAHLLOKOSA-N 2 2 374.576 1.535 10 0 FDAELP CC(C)CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195278193 537387394 /nfs/dbraw/zinc/38/73/94/537387394.db2.gz XONUGBHJSJCUQA-KRWDZBQOSA-N 2 2 361.490 1.317 10 0 FDAELP CC(C)CNC(=O)NC(=O)C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195278193 537387400 /nfs/dbraw/zinc/38/74/00/537387400.db2.gz XONUGBHJSJCUQA-KRWDZBQOSA-N 2 2 361.490 1.317 10 0 FDAELP CC(C)CNC(=O)NC(=O)C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195278193 537387409 /nfs/dbraw/zinc/38/74/09/537387409.db2.gz XONUGBHJSJCUQA-KRWDZBQOSA-N 2 2 361.490 1.317 10 0 FDAELP CC(C)CNC(=O)NC(=O)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195278193 537387415 /nfs/dbraw/zinc/38/74/15/537387415.db2.gz XONUGBHJSJCUQA-KRWDZBQOSA-N 2 2 361.490 1.317 10 0 FDAELP Cn1c[nH+]c([C@@H]2CN(C(=O)CCc3ccc4c(c3)OCCO4)C[C@H]2[NH3+])c1 ZINC000685941803 571102025 /nfs/dbraw/zinc/10/20/25/571102025.db2.gz BZHZRQWGEHMHDD-HUUCEWRRSA-N 2 2 356.426 1.077 10 0 FDAELP CCc1ccc(C[NH+]2CCN(C(=O)[C@@H]([NH3+])C3CCOCC3)CC2)s1 ZINC000262143594 672734517 /nfs/dbraw/zinc/73/45/17/672734517.db2.gz XGVAZMONZGMOPI-KRWDZBQOSA-N 2 2 351.516 1.709 10 0 FDAELP CCOC1CC(CNC(=O)N[C@@H]2CCC[N@H+](CC)C2)([NH+]2CCOCC2)C1 ZINC000192495764 178116603 /nfs/dbraw/zinc/11/66/03/178116603.db2.gz GHOMTAQXFZHGLF-LRYGQEGESA-N 2 2 368.522 1.040 10 0 FDAELP CCOC1CC(CNC(=O)N[C@@H]2CCC[N@@H+](CC)C2)([NH+]2CCOCC2)C1 ZINC000192495764 178116607 /nfs/dbraw/zinc/11/66/07/178116607.db2.gz GHOMTAQXFZHGLF-LRYGQEGESA-N 2 2 368.522 1.040 10 0 FDAELP Cc1ccc([C@@H](CNC(=O)N2CC[N@H+]3CCC[C@@H]3C2)[NH+]2CCOCC2)cc1 ZINC000171903317 258270003 /nfs/dbraw/zinc/27/00/03/258270003.db2.gz WKONNBXMYWXPQI-WOJBJXKFSA-N 2 2 372.513 1.858 10 0 FDAELP CCn1cc(C2CC[NH+](Cc3cnc(N4CC[NH+](C)CC4)nc3)CC2)cn1 ZINC000092809289 172305562 /nfs/dbraw/zinc/30/55/62/172305562.db2.gz YOFNWVFRLCFDCK-UHFFFAOYSA-N 2 2 369.517 1.824 10 0 FDAELP Cc1ccccc1C[NH+]1CCC(NC(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000104787277 172386112 /nfs/dbraw/zinc/38/61/12/172386112.db2.gz XRMOOMZUQVEDKT-LJQANCHMSA-N 2 2 360.502 1.589 10 0 FDAELP Cc1ccccc1C[NH+]1CCC(NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000104787277 172386116 /nfs/dbraw/zinc/38/61/16/172386116.db2.gz XRMOOMZUQVEDKT-LJQANCHMSA-N 2 2 360.502 1.589 10 0 FDAELP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105162248 172397662 /nfs/dbraw/zinc/39/76/62/172397662.db2.gz DLYMVNJYMFCOTO-HXUWFJFHSA-N 2 2 372.513 1.899 10 0 FDAELP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000105162248 172397665 /nfs/dbraw/zinc/39/76/65/172397665.db2.gz DLYMVNJYMFCOTO-HXUWFJFHSA-N 2 2 372.513 1.899 10 0 FDAELP Cc1[nH+]c2ccccc2n1CCNC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000175636565 174016234 /nfs/dbraw/zinc/01/62/34/174016234.db2.gz LYJMWWHURFDICX-DNVCBOLYSA-N 2 2 371.485 1.707 10 0 FDAELP C[C@@H]1CN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C[C@H]1[NH+]1CCOCC1 ZINC000175650669 174017625 /nfs/dbraw/zinc/01/76/25/174017625.db2.gz DYANGELGDDKLGL-SJLPKXTDSA-N 2 2 373.501 1.544 10 0 FDAELP O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173787364 258311293 /nfs/dbraw/zinc/31/12/93/258311293.db2.gz DZWDWJAWICWSPK-UXHICEINSA-N 2 2 372.513 1.767 10 0 FDAELP O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173787364 258311294 /nfs/dbraw/zinc/31/12/94/258311294.db2.gz DZWDWJAWICWSPK-UXHICEINSA-N 2 2 372.513 1.767 10 0 FDAELP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCO[C@@H](c3nccs3)C2)CC1 ZINC000179315661 258348557 /nfs/dbraw/zinc/34/85/57/258348557.db2.gz XASJDADIJHSSGT-OAHLLOKOSA-N 2 2 367.519 1.252 10 0 FDAELP O=C([C@@H]1CC[N@@H+]1Cc1ccccc1)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000333711515 259372721 /nfs/dbraw/zinc/37/27/21/259372721.db2.gz GLVTYWXJGMPUTG-MOPGFXCFSA-N 2 2 370.497 1.074 10 0 FDAELP O=C([C@@H]1CC[N@H+]1Cc1ccccc1)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000333711515 259372723 /nfs/dbraw/zinc/37/27/23/259372723.db2.gz GLVTYWXJGMPUTG-MOPGFXCFSA-N 2 2 370.497 1.074 10 0 FDAELP C[C@@H](NC(=O)c1ccco1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000050801767 522942036 /nfs/dbraw/zinc/94/20/36/522942036.db2.gz RVRNFEZCKSUPMI-CQSZACIVSA-N 2 2 362.474 1.073 10 0 FDAELP Cc1nc(C[N@@H+]2CCCN(C(=O)NCCCn3cc[nH+]c3)CC2)cs1 ZINC000172166299 524142968 /nfs/dbraw/zinc/14/29/68/524142968.db2.gz ZDNRJXWMRYCSCH-UHFFFAOYSA-N 2 2 362.503 1.956 10 0 FDAELP Cc1nc(C[N@H+]2CCCN(C(=O)NCCCn3cc[nH+]c3)CC2)cs1 ZINC000172166299 524142973 /nfs/dbraw/zinc/14/29/73/524142973.db2.gz ZDNRJXWMRYCSCH-UHFFFAOYSA-N 2 2 362.503 1.956 10 0 FDAELP CC(=O)Nc1ccccc1C[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000121066826 524143137 /nfs/dbraw/zinc/14/31/37/524143137.db2.gz BOLIFVHWBPWTLR-HXUWFJFHSA-N 2 2 374.529 1.872 10 0 FDAELP CC(=O)Nc1ccccc1C[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000121066826 524143148 /nfs/dbraw/zinc/14/31/48/524143148.db2.gz BOLIFVHWBPWTLR-HXUWFJFHSA-N 2 2 374.529 1.872 10 0 FDAELP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000172244415 524175742 /nfs/dbraw/zinc/17/57/42/524175742.db2.gz ICLZQJZICXTWPK-DOTOQJQBSA-N 2 2 359.474 1.296 10 0 FDAELP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000172244415 524175746 /nfs/dbraw/zinc/17/57/46/524175746.db2.gz ICLZQJZICXTWPK-DOTOQJQBSA-N 2 2 359.474 1.296 10 0 FDAELP CCOCC[N@@H+]1CCN(c2cc(N3CCC[C@@H]3CO)[nH+]cn2)C[C@@H]1CC ZINC000172328761 524202388 /nfs/dbraw/zinc/20/23/88/524202388.db2.gz KCWBFSVHDGIVLV-DLBZAZTESA-N 2 2 363.506 1.375 10 0 FDAELP CCOCC[N@H+]1CCN(c2cc(N3CCC[C@@H]3CO)[nH+]cn2)C[C@@H]1CC ZINC000172328761 524202392 /nfs/dbraw/zinc/20/23/92/524202392.db2.gz KCWBFSVHDGIVLV-DLBZAZTESA-N 2 2 363.506 1.375 10 0 FDAELP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000174378221 524557578 /nfs/dbraw/zinc/55/75/78/524557578.db2.gz ZIBXSOPPKQYBDL-AEFFLSMTSA-N 2 2 361.486 1.255 10 0 FDAELP CN(C(=O)NC[C@H]1C[N@H+](C)CCO1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000113616737 524706659 /nfs/dbraw/zinc/70/66/59/524706659.db2.gz RCOHIUCCABODAV-IBGZPJMESA-N 2 2 360.502 1.623 10 0 FDAELP CN(C(=O)NC[C@H]1C[N@@H+](C)CCO1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000113616737 524706669 /nfs/dbraw/zinc/70/66/69/524706669.db2.gz RCOHIUCCABODAV-IBGZPJMESA-N 2 2 360.502 1.623 10 0 FDAELP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000175057598 524854816 /nfs/dbraw/zinc/85/48/16/524854816.db2.gz PCMKLETWCYZJMQ-RBUKOAKNSA-N 2 2 371.529 1.679 10 0 FDAELP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000175057598 524854829 /nfs/dbraw/zinc/85/48/29/524854829.db2.gz PCMKLETWCYZJMQ-RBUKOAKNSA-N 2 2 371.529 1.679 10 0 FDAELP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000115387889 524983905 /nfs/dbraw/zinc/98/39/05/524983905.db2.gz YIGIVNOSNIXGQI-HXUWFJFHSA-N 2 2 369.513 1.984 10 0 FDAELP CC[N@H+](CC(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1)C1CC1 ZINC000152753454 524993004 /nfs/dbraw/zinc/99/30/04/524993004.db2.gz KNFYZUXANLIBHY-SFHVURJKSA-N 2 2 361.486 1.055 10 0 FDAELP CC[N@@H+](CC(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1)C1CC1 ZINC000152753454 524993011 /nfs/dbraw/zinc/99/30/11/524993011.db2.gz KNFYZUXANLIBHY-SFHVURJKSA-N 2 2 361.486 1.055 10 0 FDAELP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000177245127 525259817 /nfs/dbraw/zinc/25/98/17/525259817.db2.gz CJVDVNWNTVWZQJ-DOTOQJQBSA-N 2 2 369.531 1.434 10 0 FDAELP CCOCC[N@@H+]1CCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@H]1CC ZINC000117025084 525267167 /nfs/dbraw/zinc/26/71/67/525267167.db2.gz QICUJRFEZVNKPC-QGZVFWFLSA-N 2 2 370.538 1.240 10 0 FDAELP CCOCC[N@H+]1CCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@H]1CC ZINC000117025084 525267176 /nfs/dbraw/zinc/26/71/76/525267176.db2.gz QICUJRFEZVNKPC-QGZVFWFLSA-N 2 2 370.538 1.240 10 0 FDAELP CC[C@H]1CN(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)CC[N@@H+]1CCOC ZINC000117469729 525342059 /nfs/dbraw/zinc/34/20/59/525342059.db2.gz MXZLYWBQHVIGEG-HOTGVXAUSA-N 2 2 352.479 1.635 10 0 FDAELP CC[C@H]1CN(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)CC[N@H+]1CCOC ZINC000117469729 525342070 /nfs/dbraw/zinc/34/20/70/525342070.db2.gz MXZLYWBQHVIGEG-HOTGVXAUSA-N 2 2 352.479 1.635 10 0 FDAELP CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000106121774 525612632 /nfs/dbraw/zinc/61/26/32/525612632.db2.gz LYGALYPJALRVKR-GBESFXJTSA-N 2 2 368.566 1.407 10 0 FDAELP CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000106121774 525612641 /nfs/dbraw/zinc/61/26/41/525612641.db2.gz LYGALYPJALRVKR-GBESFXJTSA-N 2 2 368.566 1.407 10 0 FDAELP CC(C)CCNC(=O)[C@H](C)[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000106121716 525613648 /nfs/dbraw/zinc/61/36/48/525613648.db2.gz FDANYMNWOLNUJB-OALUTQOASA-N 2 2 368.566 1.264 10 0 FDAELP CC(C)CCNC(=O)[C@H](C)[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000106121716 525613656 /nfs/dbraw/zinc/61/36/56/525613656.db2.gz FDANYMNWOLNUJB-OALUTQOASA-N 2 2 368.566 1.264 10 0 FDAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](C[C@H](O)c3ccccc3F)CC2)C1 ZINC000106121585 525614425 /nfs/dbraw/zinc/61/44/25/525614425.db2.gz VMTLCCBMQVCLBY-PXNSSMCTSA-N 2 2 365.493 1.586 10 0 FDAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](C[C@H](O)c3ccccc3F)CC2)C1 ZINC000106121585 525614437 /nfs/dbraw/zinc/61/44/37/525614437.db2.gz VMTLCCBMQVCLBY-PXNSSMCTSA-N 2 2 365.493 1.586 10 0 FDAELP C[C@H](CNC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1)[NH+]1CCOCC1 ZINC000154969588 525698810 /nfs/dbraw/zinc/69/88/10/525698810.db2.gz PBZBYKIYZCMYAF-MJGOQNOKSA-N 2 2 361.486 1.114 10 0 FDAELP C[C@H](CNC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)[NH+]1CCOCC1 ZINC000154969588 525698823 /nfs/dbraw/zinc/69/88/23/525698823.db2.gz PBZBYKIYZCMYAF-MJGOQNOKSA-N 2 2 361.486 1.114 10 0 FDAELP CC[C@@H](O)C[NH+]1CCN(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)CC1 ZINC000181774237 525928089 /nfs/dbraw/zinc/92/80/89/525928089.db2.gz AMFATYSNPYAVFV-QGZVFWFLSA-N 2 2 366.481 1.485 10 0 FDAELP Cc1cnn([C@@H]2CCC[N@H+](CC(=O)N3CC[NH+](Cc4ccco4)CC3)C2)c1 ZINC000171530016 526025353 /nfs/dbraw/zinc/02/53/53/526025353.db2.gz QCLREGJWXPNKFQ-GOSISDBHSA-N 2 2 371.485 1.766 10 0 FDAELP Cc1cnn([C@@H]2CCC[N@@H+](CC(=O)N3CC[NH+](Cc4ccco4)CC3)C2)c1 ZINC000171530016 526025364 /nfs/dbraw/zinc/02/53/64/526025364.db2.gz QCLREGJWXPNKFQ-GOSISDBHSA-N 2 2 371.485 1.766 10 0 FDAELP Cn1cc(C[N@H+]2CCCN(C(=O)c3cccc(C[NH+](C)C)c3)CC2)cn1 ZINC000156269967 526097683 /nfs/dbraw/zinc/09/76/83/526097683.db2.gz PPRHLDQQJVKEDD-UHFFFAOYSA-N 2 2 355.486 1.830 10 0 FDAELP CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000171865630 526158433 /nfs/dbraw/zinc/15/84/33/526158433.db2.gz IWWYKYFRPRBUIO-SJLPKXTDSA-N 2 2 362.493 1.937 10 0 FDAELP CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000171865630 526158438 /nfs/dbraw/zinc/15/84/38/526158438.db2.gz IWWYKYFRPRBUIO-SJLPKXTDSA-N 2 2 362.493 1.937 10 0 FDAELP CC[C@@H](O)C[NH+]1CCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC1 ZINC000184787919 536183772 /nfs/dbraw/zinc/18/37/72/536183772.db2.gz CWUBMLZFFWFWAS-QGZVFWFLSA-N 2 2 361.490 1.280 10 0 FDAELP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000184858070 536188011 /nfs/dbraw/zinc/18/80/11/536188011.db2.gz DIMXGKWMARFRIH-MRXNPFEDSA-N 2 2 363.506 1.618 10 0 FDAELP Cc1cc2[nH+]cn(C[C@H](O)C[NH+]3CC(NC(=O)C4CCC4)C3)c2cc1C ZINC000185939367 536222134 /nfs/dbraw/zinc/22/21/34/536222134.db2.gz ANDCBIDAZOOXJQ-QGZVFWFLSA-N 2 2 356.470 1.615 10 0 FDAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CC[C@@H](N4CCOCC4)C3)c2cc1C ZINC000246879944 537043706 /nfs/dbraw/zinc/04/37/06/537043706.db2.gz GPIKBIPZWCGKFJ-MSOLQXFVSA-N 2 2 358.486 1.421 10 0 FDAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CC[C@@H](N4CCOCC4)C3)c2cc1C ZINC000246879944 537043707 /nfs/dbraw/zinc/04/37/07/537043707.db2.gz GPIKBIPZWCGKFJ-MSOLQXFVSA-N 2 2 358.486 1.421 10 0 FDAELP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)C[C@H]1[NH+]1CCOCC1 ZINC000246937898 537054802 /nfs/dbraw/zinc/05/48/02/537054802.db2.gz JVHRZHJMJPTDMK-MISYRCLQSA-N 2 2 357.498 1.830 10 0 FDAELP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)C[C@H]1[NH+]1CCOCC1 ZINC000246937898 537054804 /nfs/dbraw/zinc/05/48/04/537054804.db2.gz JVHRZHJMJPTDMK-MISYRCLQSA-N 2 2 357.498 1.830 10 0 FDAELP CCOCC[N@@H+]1CCN(C(=O)[C@H](C(C)C)[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000247046739 537074347 /nfs/dbraw/zinc/07/43/47/537074347.db2.gz JGFDETHPDDNVFQ-XWSJACJDSA-N 2 2 369.550 1.689 10 0 FDAELP CCOCC[N@H+]1CCN(C(=O)[C@H](C(C)C)[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000247046739 537074349 /nfs/dbraw/zinc/07/43/49/537074349.db2.gz JGFDETHPDDNVFQ-XWSJACJDSA-N 2 2 369.550 1.689 10 0 FDAELP COCC[N@@H+]1CCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)C[C@H]1C ZINC000247050606 537074641 /nfs/dbraw/zinc/07/46/41/537074641.db2.gz JMMTVPCIWQFKGZ-IAGOWNOFSA-N 2 2 364.490 1.779 10 0 FDAELP COCC[N@H+]1CCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)C[C@H]1C ZINC000247050606 537074644 /nfs/dbraw/zinc/07/46/44/537074644.db2.gz JMMTVPCIWQFKGZ-IAGOWNOFSA-N 2 2 364.490 1.779 10 0 FDAELP C[C@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C(=O)N1CCC(C(N)=O)CC1 ZINC000189888901 537110753 /nfs/dbraw/zinc/11/07/53/537110753.db2.gz PZNHASWSNXZTML-GJZGRUSLSA-N 2 2 369.469 1.635 10 0 FDAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](CCCN2CCOCC2)C1 ZINC000195249847 537379389 /nfs/dbraw/zinc/37/93/89/537379389.db2.gz FGNHCOCOUDUYIT-KRWDZBQOSA-N 2 2 352.548 1.928 10 0 FDAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](CCCN2CCOCC2)C1 ZINC000195249847 537379399 /nfs/dbraw/zinc/37/93/99/537379399.db2.gz FGNHCOCOUDUYIT-KRWDZBQOSA-N 2 2 352.548 1.928 10 0 FDAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](CCCN2CCOCC2)C1 ZINC000195249847 537379407 /nfs/dbraw/zinc/37/94/07/537379407.db2.gz FGNHCOCOUDUYIT-KRWDZBQOSA-N 2 2 352.548 1.928 10 0 FDAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](CCCN2CCOCC2)C1 ZINC000195249847 537379415 /nfs/dbraw/zinc/37/94/15/537379415.db2.gz FGNHCOCOUDUYIT-KRWDZBQOSA-N 2 2 352.548 1.928 10 0 FDAELP COCC[N@@H+]1CCN(C(=O)[C@H]2CCC[NH+]2Cc2ccc(F)cc2)C[C@@H]1C ZINC000245418037 537656407 /nfs/dbraw/zinc/65/64/07/537656407.db2.gz KOGJXEXEPQTLJJ-QFBILLFUSA-N 2 2 363.477 1.969 10 0 FDAELP COCC[N@H+]1CCN(C(=O)[C@H]2CCC[NH+]2Cc2ccc(F)cc2)C[C@@H]1C ZINC000245418037 537656410 /nfs/dbraw/zinc/65/64/10/537656410.db2.gz KOGJXEXEPQTLJJ-QFBILLFUSA-N 2 2 363.477 1.969 10 0 FDAELP COCC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)C[C@@H]1C ZINC000245418037 537656413 /nfs/dbraw/zinc/65/64/13/537656413.db2.gz KOGJXEXEPQTLJJ-QFBILLFUSA-N 2 2 363.477 1.969 10 0 FDAELP COCC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)C[C@@H]1C ZINC000245418037 537656417 /nfs/dbraw/zinc/65/64/17/537656417.db2.gz KOGJXEXEPQTLJJ-QFBILLFUSA-N 2 2 363.477 1.969 10 0 FDAELP CC(C)(C)OC(=O)N1CC[NH2+][C@H](c2cnnn2[C@@H]2CCC[NH2+]CC2)C1 ZINC000725266221 571151340 /nfs/dbraw/zinc/15/13/40/571151340.db2.gz ZWNUIISAMSEEMK-KGLIPLIRSA-N 2 2 350.467 1.474 10 0 FDAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H]2CCCC[C@H]2S(C)(=O)=O)nc[nH+]1 ZINC000246099076 672489331 /nfs/dbraw/zinc/48/93/31/672489331.db2.gz XSEFHXSZLOCRSB-QLFBSQMISA-N 2 2 367.519 1.433 10 0 FDAELP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[N@H+](C)Cc2cnc(N)s2)cc[nH+]1 ZINC000262032105 672715463 /nfs/dbraw/zinc/71/54/63/672715463.db2.gz OCWBERHEYQZJCH-RYUDHWBXSA-N 2 2 365.482 1.630 10 0 FDAELP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[N@@H+](C)Cc2cnc(N)s2)cc[nH+]1 ZINC000262032105 672715468 /nfs/dbraw/zinc/71/54/68/672715468.db2.gz OCWBERHEYQZJCH-RYUDHWBXSA-N 2 2 365.482 1.630 10 0 FDAELP C[C@]([NH3+])(C(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1)c1ccccc1 ZINC000192530020 178118457 /nfs/dbraw/zinc/11/84/57/178118457.db2.gz DHFJMLYWYZUHBE-PZJWPPBQSA-N 2 2 353.466 1.738 10 0 FDAELP C[C@H](O)C[N@@H+]1CCN(C(=O)NCC[NH+]2CCc3sccc3C2)C[C@@H]1C ZINC000245893819 178386452 /nfs/dbraw/zinc/38/64/52/178386452.db2.gz QPBURPUCCXUQBD-GJZGRUSLSA-N 2 2 366.531 1.203 10 0 FDAELP C[C@H](O)C[N@H+]1CCN(C(=O)NCC[NH+]2CCc3sccc3C2)C[C@@H]1C ZINC000245893819 178386453 /nfs/dbraw/zinc/38/64/53/178386453.db2.gz QPBURPUCCXUQBD-GJZGRUSLSA-N 2 2 366.531 1.203 10 0 FDAELP C[C@H](O)C[NH+]1CCN(C(=O)NCC[N@@H+]2CCc3sccc3C2)C[C@@H]1C ZINC000245893819 178386456 /nfs/dbraw/zinc/38/64/56/178386456.db2.gz QPBURPUCCXUQBD-GJZGRUSLSA-N 2 2 366.531 1.203 10 0 FDAELP C[C@H](O)C[NH+]1CCN(C(=O)NCC[N@H+]2CCc3sccc3C2)C[C@@H]1C ZINC000245893819 178386458 /nfs/dbraw/zinc/38/64/58/178386458.db2.gz QPBURPUCCXUQBD-GJZGRUSLSA-N 2 2 366.531 1.203 10 0 FDAELP CC(C)n1cc[nH+]c1[C@@H]1CCCN(C(=O)C2CC[NH+](CC(N)=O)CC2)C1 ZINC000095365787 209030790 /nfs/dbraw/zinc/03/07/90/209030790.db2.gz WTJSGUCYNXQTHI-MRXNPFEDSA-N 2 2 361.490 1.367 10 0 FDAELP O=C(C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)NC1CCC2(CC1)OCCO2 ZINC000171641466 258266902 /nfs/dbraw/zinc/26/69/02/258266902.db2.gz YQVAXHSJZSPDRZ-MRXNPFEDSA-N 2 2 374.485 1.617 10 0 FDAELP O=C(C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)NC1CCC2(CC1)OCCO2 ZINC000171641466 258266903 /nfs/dbraw/zinc/26/69/03/258266903.db2.gz YQVAXHSJZSPDRZ-MRXNPFEDSA-N 2 2 374.485 1.617 10 0 FDAELP COC(=O)C1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CC1 ZINC000171642607 258266906 /nfs/dbraw/zinc/26/69/06/258266906.db2.gz JZIUWKMEYKBJJV-HZPDHXFCSA-N 2 2 374.485 1.616 10 0 FDAELP COC(=O)C1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CC1 ZINC000171642607 258266907 /nfs/dbraw/zinc/26/69/07/258266907.db2.gz JZIUWKMEYKBJJV-HZPDHXFCSA-N 2 2 374.485 1.616 10 0 FDAELP CCCNC(=O)CN(C)C(=O)C[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000171651312 258267223 /nfs/dbraw/zinc/26/72/23/258267223.db2.gz ZNDLLMHDMQQGRN-MRXNPFEDSA-N 2 2 361.490 1.108 10 0 FDAELP CCCNC(=O)CN(C)C(=O)C[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000171651312 258267224 /nfs/dbraw/zinc/26/72/24/258267224.db2.gz ZNDLLMHDMQQGRN-MRXNPFEDSA-N 2 2 361.490 1.108 10 0 FDAELP C[C@@H](CNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)[NH+]1CCOCC1 ZINC000071913283 172040131 /nfs/dbraw/zinc/04/01/31/172040131.db2.gz MDQSWMIJWQLNDR-HKUYNNGSSA-N 2 2 360.502 1.843 10 0 FDAELP C[C@H](CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)[NH+]1CCOCC1 ZINC000071913095 172040159 /nfs/dbraw/zinc/04/01/59/172040159.db2.gz GAYOBIJEMWQKGR-CVEARBPZSA-N 2 2 350.463 1.436 10 0 FDAELP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000076471247 172109060 /nfs/dbraw/zinc/10/90/60/172109060.db2.gz OGWVSUGNSRDIEO-IAGOWNOFSA-N 2 2 370.501 1.868 10 0 FDAELP CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000077793621 172137896 /nfs/dbraw/zinc/13/78/96/172137896.db2.gz VTCMRPAKQUQTPL-RDJZCZTQSA-N 2 2 358.552 1.224 10 0 FDAELP C[N@@H+]1CCO[C@H](CNC(=O)Nc2ccccc2C[NH+]2CCSCC2)C1 ZINC000150787345 173380880 /nfs/dbraw/zinc/38/08/80/173380880.db2.gz QTPAXCDRBJOVJA-MRXNPFEDSA-N 2 2 364.515 1.688 10 0 FDAELP C[N@H+]1CCO[C@H](CNC(=O)Nc2ccccc2C[NH+]2CCSCC2)C1 ZINC000150787345 173380883 /nfs/dbraw/zinc/38/08/83/173380883.db2.gz QTPAXCDRBJOVJA-MRXNPFEDSA-N 2 2 364.515 1.688 10 0 FDAELP Cc1[nH+]c2ccccc2n1CCNC(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000175636544 174016008 /nfs/dbraw/zinc/01/60/08/174016008.db2.gz LYJMWWHURFDICX-HNAYVOBHSA-N 2 2 371.485 1.707 10 0 FDAELP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000177147193 174109683 /nfs/dbraw/zinc/10/96/83/174109683.db2.gz ZKRPKEKFFMIHNT-SFHVURJKSA-N 2 2 368.485 1.400 10 0 FDAELP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000177348145 174123264 /nfs/dbraw/zinc/12/32/64/174123264.db2.gz LMDJVNAVVSKZFC-QGZVFWFLSA-N 2 2 361.490 1.544 10 0 FDAELP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000177348145 174123265 /nfs/dbraw/zinc/12/32/65/174123265.db2.gz LMDJVNAVVSKZFC-QGZVFWFLSA-N 2 2 361.490 1.544 10 0 FDAELP CC[C@@H](O)C[NH+]1CCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000181527608 174230202 /nfs/dbraw/zinc/23/02/02/174230202.db2.gz WAVWPGADTGOHKQ-IAGOWNOFSA-N 2 2 364.490 1.515 10 0 FDAELP CC1CC[NH+](CCCCNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)CC1 ZINC000173785329 258311003 /nfs/dbraw/zinc/31/10/03/258311003.db2.gz DMMSUNKPRNATBL-GOSISDBHSA-N 2 2 352.523 1.615 10 0 FDAELP Cc1ccc([C@H](CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)[NH+](C)C)cc1 ZINC000173817007 258311996 /nfs/dbraw/zinc/31/19/96/258311996.db2.gz CGAGWJZXPMNZCY-MOPGFXCFSA-N 2 2 360.502 1.714 10 0 FDAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)C(=O)NCc2ccccc2)nc[nH+]1 ZINC000174284857 258323009 /nfs/dbraw/zinc/32/30/09/258323009.db2.gz ZYORKYUYLOXMNP-WBVHZDCISA-N 2 2 368.485 1.782 10 0 FDAELP Cc1ccc(N2CCC(C(=O)N3CC[N@@H+](C[C@@H](C)O)[C@H](C)C3)CC2)[nH+]c1 ZINC000174306936 258323219 /nfs/dbraw/zinc/32/32/19/258323219.db2.gz CZORZSXKKLRVHW-IAGOWNOFSA-N 2 2 360.502 1.520 10 0 FDAELP Cc1ccc(N2CCC(C(=O)N3CC[N@H+](C[C@@H](C)O)[C@H](C)C3)CC2)[nH+]c1 ZINC000174306936 258323220 /nfs/dbraw/zinc/32/32/20/258323220.db2.gz CZORZSXKKLRVHW-IAGOWNOFSA-N 2 2 360.502 1.520 10 0 FDAELP CC[N@@H+]1CCC[C@@H](NC(=O)NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)C1 ZINC000052523219 523191566 /nfs/dbraw/zinc/19/15/66/523191566.db2.gz GSRYZAQHNBFBDB-NVXWUHKLSA-N 2 2 361.490 1.590 10 0 FDAELP CC[N@H+]1CCC[C@@H](NC(=O)NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)C1 ZINC000052523219 523191573 /nfs/dbraw/zinc/19/15/73/523191573.db2.gz GSRYZAQHNBFBDB-NVXWUHKLSA-N 2 2 361.490 1.590 10 0 FDAELP C[C@H](CNC(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1)[NH+]1CCOCC1 ZINC000077793379 523465045 /nfs/dbraw/zinc/46/50/45/523465045.db2.gz VWGOTUAHYUSLPF-CABCVRRESA-N 2 2 366.531 1.515 10 0 FDAELP C[C@H](CNC(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1)[NH+]1CCOCC1 ZINC000077793379 523465053 /nfs/dbraw/zinc/46/50/53/523465053.db2.gz VWGOTUAHYUSLPF-CABCVRRESA-N 2 2 366.531 1.515 10 0 FDAELP CNC(=O)[C@@H]1C[C@H](NC2CC[NH+](Cc3ccccc3)CC2)C[N@@H+]1C(C)C ZINC000020912835 524088370 /nfs/dbraw/zinc/08/83/70/524088370.db2.gz BIPFPUVNEOGMKD-PMACEKPBSA-N 2 2 358.530 1.838 10 0 FDAELP CNC(=O)[C@@H]1C[C@H](NC2CC[NH+](Cc3ccccc3)CC2)C[N@H+]1C(C)C ZINC000020912835 524088376 /nfs/dbraw/zinc/08/83/76/524088376.db2.gz BIPFPUVNEOGMKD-PMACEKPBSA-N 2 2 358.530 1.838 10 0 FDAELP CC[NH+](CC)[C@@H](C)CNC(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000087133744 524416968 /nfs/dbraw/zinc/41/69/68/524416968.db2.gz ZDDDYBSWDYCKCF-IRXDYDNUSA-N 2 2 367.538 1.055 10 0 FDAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](Cc3ccccc3N(C)C)CC2)C1 ZINC000173681917 524433652 /nfs/dbraw/zinc/43/36/52/524433652.db2.gz HOTLCTXKUJRWKI-HXUWFJFHSA-N 2 2 360.546 1.979 10 0 FDAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](Cc3ccccc3N(C)C)CC2)C1 ZINC000173681917 524433660 /nfs/dbraw/zinc/43/36/60/524433660.db2.gz HOTLCTXKUJRWKI-HXUWFJFHSA-N 2 2 360.546 1.979 10 0 FDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000122911362 524642761 /nfs/dbraw/zinc/64/27/61/524642761.db2.gz AGAZWTOCMMVAMK-GOSISDBHSA-N 3 2 369.517 1.824 10 0 FDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000122911362 524642764 /nfs/dbraw/zinc/64/27/64/524642764.db2.gz AGAZWTOCMMVAMK-GOSISDBHSA-N 3 2 369.517 1.824 10 0 FDAELP CCc1nccn1[C@@H]1CCC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000122911362 524642768 /nfs/dbraw/zinc/64/27/68/524642768.db2.gz AGAZWTOCMMVAMK-GOSISDBHSA-N 2 2 369.517 1.824 10 0 FDAELP CCc1nccn1[C@@H]1CCC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000122911362 524642772 /nfs/dbraw/zinc/64/27/72/524642772.db2.gz AGAZWTOCMMVAMK-GOSISDBHSA-N 2 2 369.517 1.824 10 0 FDAELP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000115796909 525060229 /nfs/dbraw/zinc/06/02/29/525060229.db2.gz YMINLGKTFYLKRZ-OAHLLOKOSA-N 2 2 364.538 1.594 10 0 FDAELP C[NH+](C)C[C@@H]1CN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CCO1 ZINC000117039134 525274738 /nfs/dbraw/zinc/27/47/38/525274738.db2.gz YDBXLDUIWNXRGZ-OAHLLOKOSA-N 2 2 361.421 1.483 10 0 FDAELP O=C(CN1CC[N@@H+]2CCCC[C@@H]2C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000177771437 525345688 /nfs/dbraw/zinc/34/56/88/525345688.db2.gz MASOKNZAFDPAQO-QGZVFWFLSA-N 2 2 362.543 1.562 10 0 FDAELP O=C(CN1CC[N@H+]2CCCC[C@@H]2C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000177771437 525345696 /nfs/dbraw/zinc/34/56/96/525345696.db2.gz MASOKNZAFDPAQO-QGZVFWFLSA-N 2 2 362.543 1.562 10 0 FDAELP COCC[N@@H+]1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)C[C@@H]1C ZINC000117483060 525347915 /nfs/dbraw/zinc/34/79/15/525347915.db2.gz PUCBIXPLVFSWNB-HNNXBMFYSA-N 2 2 372.473 1.438 10 0 FDAELP COCC[N@H+]1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)C[C@@H]1C ZINC000117483060 525347922 /nfs/dbraw/zinc/34/79/22/525347922.db2.gz PUCBIXPLVFSWNB-HNNXBMFYSA-N 2 2 372.473 1.438 10 0 FDAELP CC[C@H]1CN(C(=O)NCc2cn3c(cccc3C)[nH+]2)CC[N@@H+]1C[C@@H](C)O ZINC000181738280 525914498 /nfs/dbraw/zinc/91/44/98/525914498.db2.gz LIKUSBVFQAFDRD-WBVHZDCISA-N 2 2 359.474 1.629 10 0 FDAELP CC[C@H]1CN(C(=O)NCc2cn3c(cccc3C)[nH+]2)CC[N@H+]1C[C@@H](C)O ZINC000181738280 525914504 /nfs/dbraw/zinc/91/45/04/525914504.db2.gz LIKUSBVFQAFDRD-WBVHZDCISA-N 2 2 359.474 1.629 10 0 FDAELP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2cnc3c(c2)c(C)nn3C)nc[nH+]1 ZINC000171733997 526101641 /nfs/dbraw/zinc/10/16/41/526101641.db2.gz WBFHYVKUSIRTMM-HNNXBMFYSA-N 2 2 366.473 1.867 10 0 FDAELP Cn1cc(C[N@@H+]2CCCN(C(=O)c3ccnc(-n4cc[nH+]c4)c3)CC2)cn1 ZINC000109658456 526156232 /nfs/dbraw/zinc/15/62/32/526156232.db2.gz JQRSOBBYWYICKJ-UHFFFAOYSA-N 2 2 365.441 1.349 10 0 FDAELP Cn1cc(C[N@H+]2CCCN(C(=O)c3ccnc(-n4cc[nH+]c4)c3)CC2)cn1 ZINC000109658456 526156240 /nfs/dbraw/zinc/15/62/40/526156240.db2.gz JQRSOBBYWYICKJ-UHFFFAOYSA-N 2 2 365.441 1.349 10 0 FDAELP OC[C@H]1CCCN1c1cc(NC2CC[NH+](Cc3ccccn3)CC2)nc[nH+]1 ZINC000110228380 526230539 /nfs/dbraw/zinc/23/05/39/526230539.db2.gz DYYWRQAKZVPOLQ-GOSISDBHSA-N 2 2 368.485 1.909 10 0 FDAELP OC[C@H]1CCCN1c1cc(NC2CC[NH+](Cc3ccccn3)CC2)[nH+]cn1 ZINC000110228380 526230551 /nfs/dbraw/zinc/23/05/51/526230551.db2.gz DYYWRQAKZVPOLQ-GOSISDBHSA-N 2 2 368.485 1.909 10 0 FDAELP CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)nc[nH+]1 ZINC000246397019 536944654 /nfs/dbraw/zinc/94/46/54/536944654.db2.gz SXNGDSNSOSWRAD-SQWLQELKSA-N 2 2 373.505 1.412 10 0 FDAELP CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)[nH+]cn1 ZINC000246397019 536944660 /nfs/dbraw/zinc/94/46/60/536944660.db2.gz SXNGDSNSOSWRAD-SQWLQELKSA-N 2 2 373.505 1.412 10 0 FDAELP CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)[nH+]cn1 ZINC000246397019 536944663 /nfs/dbraw/zinc/94/46/63/536944663.db2.gz SXNGDSNSOSWRAD-SQWLQELKSA-N 2 2 373.505 1.412 10 0 FDAELP Cc1ccc(N2CCC(C(=O)N3CC[N@@H+](C[C@H](C)O)[C@@H](C)C3)CC2)[nH+]c1 ZINC000246620355 536991969 /nfs/dbraw/zinc/99/19/69/536991969.db2.gz CZORZSXKKLRVHW-IRXDYDNUSA-N 2 2 360.502 1.520 10 0 FDAELP Cc1ccc(N2CCC(C(=O)N3CC[N@H+](C[C@H](C)O)[C@@H](C)C3)CC2)[nH+]c1 ZINC000246620355 536991973 /nfs/dbraw/zinc/99/19/73/536991973.db2.gz CZORZSXKKLRVHW-IRXDYDNUSA-N 2 2 360.502 1.520 10 0 FDAELP CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000263227878 536995994 /nfs/dbraw/zinc/99/59/94/536995994.db2.gz BAWKDVOYDAQRKT-WMLDXEAASA-N 2 2 362.474 1.061 10 0 FDAELP CCCn1cc(C[N@@H+]2CCCN(C(=O)[C@@H]3CC(F)(F)C[NH2+]3)CC2)cn1 ZINC000263302835 537013270 /nfs/dbraw/zinc/01/32/70/537013270.db2.gz XHZANRBWRJVNHS-HNNXBMFYSA-N 2 2 355.433 1.325 10 0 FDAELP CCCn1cc(C[N@H+]2CCCN(C(=O)[C@@H]3CC(F)(F)C[NH2+]3)CC2)cn1 ZINC000263302835 537013272 /nfs/dbraw/zinc/01/32/72/537013272.db2.gz XHZANRBWRJVNHS-HNNXBMFYSA-N 2 2 355.433 1.325 10 0 FDAELP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000247451849 537120291 /nfs/dbraw/zinc/12/02/91/537120291.db2.gz PDFAZMBATBRUMD-PMACEKPBSA-N 2 2 374.529 1.871 10 0 FDAELP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000247451849 537120293 /nfs/dbraw/zinc/12/02/93/537120293.db2.gz PDFAZMBATBRUMD-PMACEKPBSA-N 2 2 374.529 1.871 10 0 FDAELP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000247451849 537120295 /nfs/dbraw/zinc/12/02/95/537120295.db2.gz PDFAZMBATBRUMD-PMACEKPBSA-N 2 2 374.529 1.871 10 0 FDAELP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000247451849 537120296 /nfs/dbraw/zinc/12/02/96/537120296.db2.gz PDFAZMBATBRUMD-PMACEKPBSA-N 2 2 374.529 1.871 10 0 FDAELP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000190339506 537165665 /nfs/dbraw/zinc/16/56/65/537165665.db2.gz SPUGKGMBEXXTML-SJLPKXTDSA-N 2 2 367.453 1.896 10 0 FDAELP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000190339506 537165668 /nfs/dbraw/zinc/16/56/68/537165668.db2.gz SPUGKGMBEXXTML-SJLPKXTDSA-N 2 2 367.453 1.896 10 0 FDAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](CC(=O)NC2CCOCC2)C1 ZINC000195255504 537380931 /nfs/dbraw/zinc/38/09/31/537380931.db2.gz WYAFQLSBNSCECN-OAHLLOKOSA-N 2 2 366.531 1.500 10 0 FDAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](CC(=O)NC2CCOCC2)C1 ZINC000195255504 537380941 /nfs/dbraw/zinc/38/09/41/537380941.db2.gz WYAFQLSBNSCECN-OAHLLOKOSA-N 2 2 366.531 1.500 10 0 FDAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](CC(=O)NC2CCOCC2)C1 ZINC000195255504 537380949 /nfs/dbraw/zinc/38/09/49/537380949.db2.gz WYAFQLSBNSCECN-OAHLLOKOSA-N 2 2 366.531 1.500 10 0 FDAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NC2CCOCC2)C1 ZINC000195255504 537380957 /nfs/dbraw/zinc/38/09/57/537380957.db2.gz WYAFQLSBNSCECN-OAHLLOKOSA-N 2 2 366.531 1.500 10 0 FDAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](CC(=O)NC2CCOCC2)C1 ZINC000195255486 537381258 /nfs/dbraw/zinc/38/12/58/537381258.db2.gz WYAFQLSBNSCECN-HNNXBMFYSA-N 2 2 366.531 1.500 10 0 FDAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)NC2CCOCC2)C1 ZINC000195255486 537381266 /nfs/dbraw/zinc/38/12/66/537381266.db2.gz WYAFQLSBNSCECN-HNNXBMFYSA-N 2 2 366.531 1.500 10 0 FDAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NC2CCOCC2)C1 ZINC000195255486 537381271 /nfs/dbraw/zinc/38/12/71/537381271.db2.gz WYAFQLSBNSCECN-HNNXBMFYSA-N 2 2 366.531 1.500 10 0 FDAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NC2CCOCC2)C1 ZINC000195255486 537381279 /nfs/dbraw/zinc/38/12/79/537381279.db2.gz WYAFQLSBNSCECN-HNNXBMFYSA-N 2 2 366.531 1.500 10 0 FDAELP Cn1cc[nH+]c1CN(C(=O)COC[C@H]1CCCO1)[C@H]1CC12CC[NH2+]CC2 ZINC000582885090 551276856 /nfs/dbraw/zinc/27/68/56/551276856.db2.gz NTYFSJBNWLLWTK-CVEARBPZSA-N 2 2 362.474 1.086 10 0 FDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1sccc1C(N)=O ZINC000154563462 671925139 /nfs/dbraw/zinc/92/51/39/671925139.db2.gz CMZOHUPZJVYMTO-WCQYABFASA-N 2 2 361.471 1.844 10 0 FDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1sccc1C(N)=O ZINC000154563462 671925140 /nfs/dbraw/zinc/92/51/40/671925140.db2.gz CMZOHUPZJVYMTO-WCQYABFASA-N 2 2 361.471 1.844 10 0 FDAELP C[C@H]1OCC[NH2+][C@@H]1C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000262312199 672767345 /nfs/dbraw/zinc/76/73/45/672767345.db2.gz QMXWSOVGTIGWKA-DYVFJYSZSA-N 2 2 351.878 1.798 10 0 FDAELP [NH3+][C@@H]1CC[C@H](C(=O)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)C1 ZINC000237955553 178340245 /nfs/dbraw/zinc/34/02/45/178340245.db2.gz YAEBRDRYMIVKIF-GOEBONIOSA-N 2 2 351.878 1.990 10 0 FDAELP CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)[nH+]cn1 ZINC000245482840 178361777 /nfs/dbraw/zinc/36/17/77/178361777.db2.gz DNVJDHWDPLBXKW-HZPDHXFCSA-N 2 2 373.505 1.367 10 0 FDAELP Cc1cc(=O)n2nc(C[N@@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)sc2n1 ZINC000171644524 258266938 /nfs/dbraw/zinc/26/69/38/258266938.db2.gz PKKGVSBZNRLSJX-ZDUSSCGKSA-N 2 2 356.455 1.788 10 0 FDAELP Cc1cc(=O)n2nc(C[N@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)sc2n1 ZINC000171644524 258266939 /nfs/dbraw/zinc/26/69/39/258266939.db2.gz PKKGVSBZNRLSJX-ZDUSSCGKSA-N 2 2 356.455 1.788 10 0 FDAELP CC[C@H](C)[C@@H](NC(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)C(=O)OC ZINC000171645351 258267230 /nfs/dbraw/zinc/26/72/30/258267230.db2.gz BLJNPCQJTYZRNT-HDMKZQKVSA-N 2 2 362.474 1.519 10 0 FDAELP CC[C@H](C)[C@@H](NC(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)C(=O)OC ZINC000171645351 258267231 /nfs/dbraw/zinc/26/72/31/258267231.db2.gz BLJNPCQJTYZRNT-HDMKZQKVSA-N 2 2 362.474 1.519 10 0 FDAELP CC[C@H](C)NC(=O)[C@H](C)[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000170941407 258265496 /nfs/dbraw/zinc/26/54/96/258265496.db2.gz VWMZUQHBWTVLFC-OKZBNKHCSA-N 2 2 354.539 1.016 10 0 FDAELP CC[C@H](C)NC(=O)[C@H](C)[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000170941407 258265497 /nfs/dbraw/zinc/26/54/97/258265497.db2.gz VWMZUQHBWTVLFC-OKZBNKHCSA-N 2 2 354.539 1.016 10 0 FDAELP C[C@H](CNC(=O)NCC1([NH+]2CCSCC2)CCCC1)[NH+]1CCOCC1 ZINC000077793371 172138084 /nfs/dbraw/zinc/13/80/84/172138084.db2.gz KLMJNDLUZPXOMN-MRXNPFEDSA-N 2 2 370.563 1.368 10 0 FDAELP C[N@H+](CCNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)Cc1ccc(F)cc1 ZINC000175954967 174040295 /nfs/dbraw/zinc/04/02/95/174040295.db2.gz JBVXJWQKKJYDAM-GOSISDBHSA-N 2 2 364.465 1.374 10 0 FDAELP C[N@@H+](CCNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)Cc1ccc(F)cc1 ZINC000175954967 174040298 /nfs/dbraw/zinc/04/02/98/174040298.db2.gz JBVXJWQKKJYDAM-GOSISDBHSA-N 2 2 364.465 1.374 10 0 FDAELP COc1ccc([C@@H](C)C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000180049848 258361198 /nfs/dbraw/zinc/36/11/98/258361198.db2.gz DRAICAWQVFEYOD-FUHWJXTLSA-N 2 2 361.486 1.321 10 0 FDAELP C[N@H+](CCCNC(=O)C(F)(F)F)C1CC[NH+](CCn2cccn2)CC1 ZINC000180614656 258371642 /nfs/dbraw/zinc/37/16/42/258371642.db2.gz YEIRQIQEXWZSIL-UHFFFAOYSA-N 2 2 361.412 1.348 10 0 FDAELP C[N@@H+](CCCNC(=O)C(F)(F)F)C1CC[NH+](CCn2cccn2)CC1 ZINC000180614656 258371643 /nfs/dbraw/zinc/37/16/43/258371643.db2.gz YEIRQIQEXWZSIL-UHFFFAOYSA-N 2 2 361.412 1.348 10 0 FDAELP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173900720 258314248 /nfs/dbraw/zinc/31/42/48/258314248.db2.gz YYFAIXQCBQAVBP-XDNAFOTISA-N 2 2 352.523 1.469 10 0 FDAELP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173900720 258314249 /nfs/dbraw/zinc/31/42/49/258314249.db2.gz YYFAIXQCBQAVBP-XDNAFOTISA-N 2 2 352.523 1.469 10 0 FDAELP CC[N@@H+]1CCC[C@@H](NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1 ZINC000174233304 258321941 /nfs/dbraw/zinc/32/19/41/258321941.db2.gz JULSJRFGUYQXGD-GOSISDBHSA-N 3 2 365.566 1.720 10 0 FDAELP CC[N@H+]1CCC[C@@H](NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1 ZINC000174233304 258321942 /nfs/dbraw/zinc/32/19/42/258321942.db2.gz JULSJRFGUYQXGD-GOSISDBHSA-N 3 2 365.566 1.720 10 0 FDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H](C)C(=O)N1CCCCC1 ZINC000178330228 258328957 /nfs/dbraw/zinc/32/89/57/258328957.db2.gz MAHNQDDRZKRNLI-RDJZCZTQSA-N 2 2 361.490 1.173 10 0 FDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H](C)C(=O)N1CCCCC1 ZINC000178330228 258328958 /nfs/dbraw/zinc/32/89/58/258328958.db2.gz MAHNQDDRZKRNLI-RDJZCZTQSA-N 2 2 361.490 1.173 10 0 FDAELP CC[C@@H]1C[C@H](C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)CC(=O)N1 ZINC000329668360 259106484 /nfs/dbraw/zinc/10/64/84/259106484.db2.gz LTUZFILHBYTZKO-OWCLPIDISA-N 2 2 350.507 1.758 10 0 FDAELP C[C@H](CC[N@@H+]1CCC[C@@H](c2nnc[nH]2)C1)[NH+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000330303221 259138762 /nfs/dbraw/zinc/13/87/62/259138762.db2.gz PABSJCIBCKXEIH-OAGGEKHMSA-N 2 2 358.494 1.760 10 0 FDAELP C[C@H](CC[N@H+]1CCC[C@@H](c2nnc[nH]2)C1)[NH+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000330303221 259138763 /nfs/dbraw/zinc/13/87/63/259138763.db2.gz PABSJCIBCKXEIH-OAGGEKHMSA-N 2 2 358.494 1.760 10 0 FDAELP C[C@H](CC[NH+]1CCC[C@@H](c2nnc[nH]2)C1)[N@@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000330303221 259138764 /nfs/dbraw/zinc/13/87/64/259138764.db2.gz PABSJCIBCKXEIH-OAGGEKHMSA-N 2 2 358.494 1.760 10 0 FDAELP C[C@H](CC[NH+]1CCC[C@@H](c2nnc[nH]2)C1)[N@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000330303221 259138765 /nfs/dbraw/zinc/13/87/65/259138765.db2.gz PABSJCIBCKXEIH-OAGGEKHMSA-N 2 2 358.494 1.760 10 0 FDAELP CC(C)[C@@H](CNC(=O)NC[C@@H](C)[NH+]1CCOCC1)[NH+]1CCC(C)CC1 ZINC000121942039 524412833 /nfs/dbraw/zinc/41/28/33/524412833.db2.gz UYVYCWBWBGHYAD-QZTJIDSGSA-N 2 2 354.539 1.763 10 0 FDAELP CC(C)NC(=O)C[NH+]1CCN(CC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC000158542723 524487924 /nfs/dbraw/zinc/48/79/24/524487924.db2.gz SFVAZMHLJKMKEV-UHFFFAOYSA-N 2 2 350.482 1.400 10 0 FDAELP CC(C)NC(=O)C[NH+]1CCN(CC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC000158542723 524487928 /nfs/dbraw/zinc/48/79/28/524487928.db2.gz SFVAZMHLJKMKEV-UHFFFAOYSA-N 2 2 350.482 1.400 10 0 FDAELP CC[C@H]1CN(C(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)CC[N@@H+]1C[C@@H](C)O ZINC000174616130 524654599 /nfs/dbraw/zinc/65/45/99/524654599.db2.gz CBGMJMMJGKFJAY-MJGOQNOKSA-N 2 2 374.529 1.910 10 0 FDAELP CC[C@H]1CN(C(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)CC[N@H+]1C[C@@H](C)O ZINC000174616130 524654606 /nfs/dbraw/zinc/65/46/06/524654606.db2.gz CBGMJMMJGKFJAY-MJGOQNOKSA-N 2 2 374.529 1.910 10 0 FDAELP Cc1ccc([C@@H](O)C[NH+]2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)cc1 ZINC000174782899 524736150 /nfs/dbraw/zinc/73/61/50/524736150.db2.gz JCUSTNAYSIWQHF-SFTDATJTSA-N 2 2 361.530 1.755 10 0 FDAELP Cc1ccc([C@@H](O)C[NH+]2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)cc1 ZINC000174782899 524736163 /nfs/dbraw/zinc/73/61/63/524736163.db2.gz JCUSTNAYSIWQHF-SFTDATJTSA-N 2 2 361.530 1.755 10 0 FDAELP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114477529 524818145 /nfs/dbraw/zinc/81/81/45/524818145.db2.gz VUIIZLIFRWMQMF-MISYRCLQSA-N 3 2 358.530 1.649 10 0 FDAELP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114477529 524818155 /nfs/dbraw/zinc/81/81/55/524818155.db2.gz VUIIZLIFRWMQMF-MISYRCLQSA-N 3 2 358.530 1.649 10 0 FDAELP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CC[C@H](C[NH+](C)C)C1 ZINC000114477529 524818165 /nfs/dbraw/zinc/81/81/65/524818165.db2.gz VUIIZLIFRWMQMF-MISYRCLQSA-N 3 2 358.530 1.649 10 0 FDAELP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CC[C@H](C[NH+](C)C)C1 ZINC000114477529 524818169 /nfs/dbraw/zinc/81/81/69/524818169.db2.gz VUIIZLIFRWMQMF-MISYRCLQSA-N 3 2 358.530 1.649 10 0 FDAELP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000152431113 524884740 /nfs/dbraw/zinc/88/47/40/524884740.db2.gz BIPGNCMDBOTCHO-QZTJIDSGSA-N 2 2 352.523 1.613 10 0 FDAELP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000152431113 524884754 /nfs/dbraw/zinc/88/47/54/524884754.db2.gz BIPGNCMDBOTCHO-QZTJIDSGSA-N 2 2 352.523 1.613 10 0 FDAELP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000115677294 525043709 /nfs/dbraw/zinc/04/37/09/525043709.db2.gz OBRURJJHGQFBGT-OAHLLOKOSA-N 2 2 364.538 1.594 10 0 FDAELP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000115677294 525043718 /nfs/dbraw/zinc/04/37/18/525043718.db2.gz OBRURJJHGQFBGT-OAHLLOKOSA-N 2 2 364.538 1.594 10 0 FDAELP CC[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2C[C@@H](C)O[C@@H](C)C2)CC[N@@H+]1CCOC ZINC000117304585 525315193 /nfs/dbraw/zinc/31/51/93/525315193.db2.gz OJZJPHPOZPBDHF-FCGDIQPGSA-N 2 2 369.550 1.689 10 0 FDAELP CC[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2C[C@@H](C)O[C@@H](C)C2)CC[N@H+]1CCOC ZINC000117304585 525315199 /nfs/dbraw/zinc/31/51/99/525315199.db2.gz OJZJPHPOZPBDHF-FCGDIQPGSA-N 2 2 369.550 1.689 10 0 FDAELP CC[C@@H]1CN(C(=O)[C@@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH+]1CCOC ZINC000117304585 525315207 /nfs/dbraw/zinc/31/52/07/525315207.db2.gz OJZJPHPOZPBDHF-FCGDIQPGSA-N 2 2 369.550 1.689 10 0 FDAELP CC[C@@H]1CN(C(=O)[C@@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH+]1CCOC ZINC000117304585 525315211 /nfs/dbraw/zinc/31/52/11/525315211.db2.gz OJZJPHPOZPBDHF-FCGDIQPGSA-N 2 2 369.550 1.689 10 0 FDAELP COCC[N@@H+]1CCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C[C@H]1C ZINC000117474451 525344536 /nfs/dbraw/zinc/34/45/36/525344536.db2.gz NCJTVQZPGFDBGH-MRXNPFEDSA-N 2 2 361.490 1.544 10 0 FDAELP COCC[N@H+]1CCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C[C@H]1C ZINC000117474451 525344537 /nfs/dbraw/zinc/34/45/37/525344537.db2.gz NCJTVQZPGFDBGH-MRXNPFEDSA-N 2 2 361.490 1.544 10 0 FDAELP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC[N@@H+]4CCCC[C@@H]4C3)CC2)CC1 ZINC000105211148 525475189 /nfs/dbraw/zinc/47/51/89/525475189.db2.gz VNYHTFLZZGXXRB-LJQANCHMSA-N 3 2 363.550 1.425 10 0 FDAELP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC[N@H+]4CCCC[C@@H]4C3)CC2)CC1 ZINC000105211148 525475196 /nfs/dbraw/zinc/47/51/96/525475196.db2.gz VNYHTFLZZGXXRB-LJQANCHMSA-N 3 2 363.550 1.425 10 0 FDAELP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000105279948 525485294 /nfs/dbraw/zinc/48/52/94/525485294.db2.gz LTZLLPGUNVUTBN-IBGZPJMESA-N 2 2 362.518 1.871 10 0 FDAELP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000105279948 525485299 /nfs/dbraw/zinc/48/52/99/525485299.db2.gz LTZLLPGUNVUTBN-IBGZPJMESA-N 2 2 362.518 1.871 10 0 FDAELP Cc1ccccc1CNC(=O)C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106130119 525621399 /nfs/dbraw/zinc/62/13/99/525621399.db2.gz KOFBEMNLZOABBI-UHFFFAOYSA-N 2 2 369.513 1.904 10 0 FDAELP Cc1ccccc1CNC(=O)C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106130119 525621408 /nfs/dbraw/zinc/62/14/08/525621408.db2.gz KOFBEMNLZOABBI-UHFFFAOYSA-N 2 2 369.513 1.904 10 0 FDAELP Cc1[nH+]ccn1CCCC[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000120778543 526180787 /nfs/dbraw/zinc/18/07/87/526180787.db2.gz LMPSXFUHQRFNPW-FQEVSTJZSA-N 3 2 363.550 1.699 10 0 FDAELP Cc1[nH+]ccn1CCCC[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000120778543 526180794 /nfs/dbraw/zinc/18/07/94/526180794.db2.gz LMPSXFUHQRFNPW-FQEVSTJZSA-N 3 2 363.550 1.699 10 0 FDAELP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000184278828 536125657 /nfs/dbraw/zinc/12/56/57/536125657.db2.gz GSQSVFQHAOOFPE-LJQANCHMSA-N 2 2 360.502 1.663 10 0 FDAELP CCCC[N@H+]1CCOC[C@@H]1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000184278828 536125665 /nfs/dbraw/zinc/12/56/65/536125665.db2.gz GSQSVFQHAOOFPE-LJQANCHMSA-N 2 2 360.502 1.663 10 0 FDAELP CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)N2CC[C@H]([NH+](C)C)C2)CC1 ZINC000186871989 536246976 /nfs/dbraw/zinc/24/69/76/536246976.db2.gz BWJUTDMDQQRZRM-SFHVURJKSA-N 2 2 373.501 1.519 10 0 FDAELP COc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@H]2C[N@H+](C)CCO2)c1 ZINC000188634593 536917053 /nfs/dbraw/zinc/91/70/53/536917053.db2.gz FDVBJQSOQFOAAT-SFHVURJKSA-N 2 2 364.490 1.099 10 0 FDAELP COc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@H]2C[N@@H+](C)CCO2)c1 ZINC000188634593 536917058 /nfs/dbraw/zinc/91/70/58/536917058.db2.gz FDVBJQSOQFOAAT-SFHVURJKSA-N 2 2 364.490 1.099 10 0 FDAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCCC[C@H]2c2cn[nH]c2)C1 ZINC000246292434 536919241 /nfs/dbraw/zinc/91/92/41/536919241.db2.gz BAFRQKPZQPXUDM-ROUUACIJSA-N 2 2 363.506 1.410 10 0 FDAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCCC[C@H]2c2cn[nH]c2)C1 ZINC000246292434 536919247 /nfs/dbraw/zinc/91/92/47/536919247.db2.gz BAFRQKPZQPXUDM-ROUUACIJSA-N 2 2 363.506 1.410 10 0 FDAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)C1 ZINC000246292434 536919250 /nfs/dbraw/zinc/91/92/50/536919250.db2.gz BAFRQKPZQPXUDM-ROUUACIJSA-N 2 2 363.506 1.410 10 0 FDAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CCCC[C@H]2c2cn[nH]c2)C1 ZINC000246292434 536919255 /nfs/dbraw/zinc/91/92/55/536919255.db2.gz BAFRQKPZQPXUDM-ROUUACIJSA-N 2 2 363.506 1.410 10 0 FDAELP O=C(CN1CC[N@@H+]2CCC[C@H]2C1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000246354102 536934689 /nfs/dbraw/zinc/93/46/89/536934689.db2.gz MSSSHQPBGLLPKK-IBGZPJMESA-N 2 2 358.486 1.237 10 0 FDAELP O=C(CN1CC[N@H+]2CCC[C@H]2C1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000246354102 536934694 /nfs/dbraw/zinc/93/46/94/536934694.db2.gz MSSSHQPBGLLPKK-IBGZPJMESA-N 2 2 358.486 1.237 10 0 FDAELP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000263308860 537014748 /nfs/dbraw/zinc/01/47/48/537014748.db2.gz YHQXNZWDMBRSET-KOLCDFICSA-N 2 2 351.191 1.720 10 0 FDAELP COc1ccc(C[NH+]2CCN(C(=O)CN3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000246770841 537022772 /nfs/dbraw/zinc/02/27/72/537022772.db2.gz YRLFOVQLSNTDEA-IBGZPJMESA-N 2 2 372.513 1.119 10 0 FDAELP COc1ccc(C[NH+]2CCN(C(=O)CN3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000246770841 537022774 /nfs/dbraw/zinc/02/27/74/537022774.db2.gz YRLFOVQLSNTDEA-IBGZPJMESA-N 2 2 372.513 1.119 10 0 FDAELP CC[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2C[C@@H](C)O[C@@H](C)C2)CC[N@@H+]1CCOC ZINC000247128791 537084979 /nfs/dbraw/zinc/08/49/79/537084979.db2.gz OJZJPHPOZPBDHF-HCXYKTFWSA-N 2 2 369.550 1.689 10 0 FDAELP CC[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2C[C@@H](C)O[C@@H](C)C2)CC[N@H+]1CCOC ZINC000247128791 537084983 /nfs/dbraw/zinc/08/49/83/537084983.db2.gz OJZJPHPOZPBDHF-HCXYKTFWSA-N 2 2 369.550 1.689 10 0 FDAELP CC[C@@H]1CN(C(=O)[C@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH+]1CCOC ZINC000247128791 537084987 /nfs/dbraw/zinc/08/49/87/537084987.db2.gz OJZJPHPOZPBDHF-HCXYKTFWSA-N 2 2 369.550 1.689 10 0 FDAELP CC[C@@H]1CN(C(=O)[C@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH+]1CCOC ZINC000247128791 537084990 /nfs/dbraw/zinc/08/49/90/537084990.db2.gz OJZJPHPOZPBDHF-HCXYKTFWSA-N 2 2 369.550 1.689 10 0 FDAELP CCOCC[N@@H+]1CCN(C(=O)NC[C@H](C)C[NH+]2CCOCC2)C[C@H]1CC ZINC000247343759 537111428 /nfs/dbraw/zinc/11/14/28/537111428.db2.gz KOGKCSUPQPRIPD-ZWKOTPCHSA-N 2 2 370.538 1.097 10 0 FDAELP CCOCC[N@H+]1CCN(C(=O)NC[C@H](C)C[NH+]2CCOCC2)C[C@H]1CC ZINC000247343759 537111429 /nfs/dbraw/zinc/11/14/29/537111429.db2.gz KOGKCSUPQPRIPD-ZWKOTPCHSA-N 2 2 370.538 1.097 10 0 FDAELP CC(=O)N[C@H]1CCCN(C(=O)C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000189910546 537114508 /nfs/dbraw/zinc/11/45/08/537114508.db2.gz NEPVEMWYLAXMQB-YJBOKZPZSA-N 2 2 369.469 1.650 10 0 FDAELP O=C(CN1CC[N@@H+]2CCCC[C@H]2C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000248344810 537173509 /nfs/dbraw/zinc/17/35/09/537173509.db2.gz MASOKNZAFDPAQO-KRWDZBQOSA-N 2 2 362.543 1.562 10 0 FDAELP O=C(CN1CC[N@H+]2CCCC[C@H]2C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000248344810 537173511 /nfs/dbraw/zinc/17/35/11/537173511.db2.gz MASOKNZAFDPAQO-KRWDZBQOSA-N 2 2 362.543 1.562 10 0 FDAELP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000248659907 537202511 /nfs/dbraw/zinc/20/25/11/537202511.db2.gz VNKVWWLZNIOBTL-KGLIPLIRSA-N 2 2 367.519 1.439 10 0 FDAELP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000248659907 537202512 /nfs/dbraw/zinc/20/25/12/537202512.db2.gz VNKVWWLZNIOBTL-KGLIPLIRSA-N 2 2 367.519 1.439 10 0 FDAELP CCNC(=O)NC(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000248659907 537202513 /nfs/dbraw/zinc/20/25/13/537202513.db2.gz VNKVWWLZNIOBTL-KGLIPLIRSA-N 2 2 367.519 1.439 10 0 FDAELP CCNC(=O)NC(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000248659907 537202514 /nfs/dbraw/zinc/20/25/14/537202514.db2.gz VNKVWWLZNIOBTL-KGLIPLIRSA-N 2 2 367.519 1.439 10 0 FDAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](CCO[C@H]3CCCCO3)CC2)C1 ZINC000248835840 537215285 /nfs/dbraw/zinc/21/52/85/537215285.db2.gz OALLPYMMLDVPSM-OALUTQOASA-N 2 2 355.523 1.256 10 0 FDAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](CCO[C@H]3CCCCO3)CC2)C1 ZINC000248835840 537215286 /nfs/dbraw/zinc/21/52/86/537215286.db2.gz OALLPYMMLDVPSM-OALUTQOASA-N 2 2 355.523 1.256 10 0 FDAELP COc1cccc2c1CC[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C)C2 ZINC000284645389 537464669 /nfs/dbraw/zinc/46/46/69/537464669.db2.gz OZVMRBAXLDUUDB-AKCHCHLHSA-N 2 2 354.454 1.896 10 0 FDAELP CCOCCOc1ccc(Br)cc1C[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000262191695 672744012 /nfs/dbraw/zinc/74/40/12/672744012.db2.gz YSAVXDODLHWMIT-HIFRSBDPSA-N 2 2 373.291 1.534 10 0 FDAELP CCS(=O)(=O)NCCC[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195298743 178254586 /nfs/dbraw/zinc/25/45/86/178254586.db2.gz HGYITIKKIQANLZ-KRWDZBQOSA-N 2 2 354.520 1.165 10 0 FDAELP CCS(=O)(=O)NCCC[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195298743 178254589 /nfs/dbraw/zinc/25/45/89/178254589.db2.gz HGYITIKKIQANLZ-KRWDZBQOSA-N 2 2 354.520 1.165 10 0 FDAELP CCS(=O)(=O)NCCC[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195298743 178254592 /nfs/dbraw/zinc/25/45/92/178254592.db2.gz HGYITIKKIQANLZ-KRWDZBQOSA-N 2 2 354.520 1.165 10 0 FDAELP CCS(=O)(=O)NCCC[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195298743 178254595 /nfs/dbraw/zinc/25/45/95/178254595.db2.gz HGYITIKKIQANLZ-KRWDZBQOSA-N 2 2 354.520 1.165 10 0 FDAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC(c3cc[nH]n3)CC2)C1 ZINC000195505792 178268027 /nfs/dbraw/zinc/26/80/27/178268027.db2.gz LITXDRQTULFHAF-KRWDZBQOSA-N 2 2 363.506 1.062 10 0 FDAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC(c3cc[nH]n3)CC2)C1 ZINC000195505792 178268033 /nfs/dbraw/zinc/26/80/33/178268033.db2.gz LITXDRQTULFHAF-KRWDZBQOSA-N 2 2 363.506 1.062 10 0 FDAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC(c3ccn[nH]3)CC2)C1 ZINC000195505792 178268035 /nfs/dbraw/zinc/26/80/35/178268035.db2.gz LITXDRQTULFHAF-KRWDZBQOSA-N 2 2 363.506 1.062 10 0 FDAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC(c3ccn[nH]3)CC2)C1 ZINC000195505792 178268039 /nfs/dbraw/zinc/26/80/39/178268039.db2.gz LITXDRQTULFHAF-KRWDZBQOSA-N 2 2 363.506 1.062 10 0 FDAELP CC(C)CC[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N(Cc1[nH+]ccn1C)C(C)C ZINC000042628377 208292547 /nfs/dbraw/zinc/29/25/47/208292547.db2.gz LBKYSVMQJLVVEY-INIZCTEOSA-N 2 2 363.506 1.394 10 0 FDAELP CC(C)CC[N@H+]1CCNC(=O)[C@@H]1CC(=O)N(Cc1[nH+]ccn1C)C(C)C ZINC000042628377 208292569 /nfs/dbraw/zinc/29/25/69/208292569.db2.gz LBKYSVMQJLVVEY-INIZCTEOSA-N 2 2 363.506 1.394 10 0 FDAELP CCNC(=O)[C@@H]1C[C@@H](NC(=O)CCn2c3ccccc3[nH+]c2CC)C[N@@H+]1C ZINC000095496796 209060331 /nfs/dbraw/zinc/06/03/31/209060331.db2.gz UOLIGCDDPLTTPK-PBHICJAKSA-N 2 2 371.485 1.314 10 0 FDAELP CCNC(=O)[C@@H]1C[C@@H](NC(=O)CCn2c3ccccc3[nH+]c2CC)C[N@H+]1C ZINC000095496796 209060336 /nfs/dbraw/zinc/06/03/36/209060336.db2.gz UOLIGCDDPLTTPK-PBHICJAKSA-N 2 2 371.485 1.314 10 0 FDAELP COc1ccc(C(=O)NC(=O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171645534 258267236 /nfs/dbraw/zinc/26/72/36/258267236.db2.gz VRNCDCQQVJFBKN-HNNXBMFYSA-N 2 2 368.437 1.781 10 0 FDAELP COc1ccc(C(=O)NC(=O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171645534 258267237 /nfs/dbraw/zinc/26/72/37/258267237.db2.gz VRNCDCQQVJFBKN-HNNXBMFYSA-N 2 2 368.437 1.781 10 0 FDAELP Nc1c(NC23CC4CC(CC(C4)C2)C3)[nH+]cnc1N1CC[NH+](CCO)CC1 ZINC000040734249 136120361 /nfs/dbraw/zinc/12/03/61/136120361.db2.gz YSDKLKHRHOAPPL-UHFFFAOYSA-N 2 2 372.517 1.554 10 0 FDAELP C[C@H](CNC(=O)NC[C@@H]1C[N@H+](C)CCO1)[NH+]1CCc2sccc2C1 ZINC000104782069 172385589 /nfs/dbraw/zinc/38/55/89/172385589.db2.gz UZMLFHQPQBWKSR-UKRRQHHQSA-N 2 2 352.504 1.125 10 0 FDAELP C[C@H](CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1)[NH+]1CCc2sccc2C1 ZINC000104782069 172385591 /nfs/dbraw/zinc/38/55/91/172385591.db2.gz UZMLFHQPQBWKSR-UKRRQHHQSA-N 2 2 352.504 1.125 10 0 FDAELP C[C@H](CNC(=O)NC[C@@H]1C[NH+](C)CCO1)[N@@H+]1CCc2sccc2C1 ZINC000104782069 172385592 /nfs/dbraw/zinc/38/55/92/172385592.db2.gz UZMLFHQPQBWKSR-UKRRQHHQSA-N 2 2 352.504 1.125 10 0 FDAELP C[C@H](CNC(=O)NC[C@@H]1C[NH+](C)CCO1)[N@H+]1CCc2sccc2C1 ZINC000104782069 172385595 /nfs/dbraw/zinc/38/55/95/172385595.db2.gz UZMLFHQPQBWKSR-UKRRQHHQSA-N 2 2 352.504 1.125 10 0 FDAELP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000130883769 173183028 /nfs/dbraw/zinc/18/30/28/173183028.db2.gz LUOPQIIXDBWLIO-ROUUACIJSA-N 2 2 352.523 1.471 10 0 FDAELP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000130883769 173183029 /nfs/dbraw/zinc/18/30/29/173183029.db2.gz LUOPQIIXDBWLIO-ROUUACIJSA-N 2 2 352.523 1.471 10 0 FDAELP C[C@H]1CN(C(=O)NCC[N@H+](C)Cc2ccccc2)C[C@@H]1[NH+]1CCOCC1 ZINC000175710950 174022067 /nfs/dbraw/zinc/02/20/67/174022067.db2.gz YJKNGIXXYXVEEH-HKUYNNGSSA-N 2 2 360.502 1.481 10 0 FDAELP C[C@H]1CN(C(=O)NCC[N@@H+](C)Cc2ccccc2)C[C@@H]1[NH+]1CCOCC1 ZINC000175710950 174022068 /nfs/dbraw/zinc/02/20/68/174022068.db2.gz YJKNGIXXYXVEEH-HKUYNNGSSA-N 2 2 360.502 1.481 10 0 FDAELP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000175728333 174023928 /nfs/dbraw/zinc/02/39/28/174023928.db2.gz PLRBMRLPFWZAFB-SFHVURJKSA-N 2 2 362.522 1.392 10 0 FDAELP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2ccc(C(=O)N(C)C)[nH]2)nc[nH+]1 ZINC000176761957 174087086 /nfs/dbraw/zinc/08/70/86/174087086.db2.gz LSEXLUYPFQZRFM-AWEZNQCLSA-N 2 2 357.462 1.307 10 0 FDAELP C[C@@H]1CN(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)C[C@@H]1[NH+]1CCOCC1 ZINC000177297165 174120410 /nfs/dbraw/zinc/12/04/10/174120410.db2.gz NNBWYMRAGUKSNK-PMPSAXMXSA-N 2 2 366.531 1.713 10 0 FDAELP Cc1ccc([C@@H](CNC(=O)NC2CC[NH+](C)CC2)[NH+]2CCOCC2)s1 ZINC000178444464 174188175 /nfs/dbraw/zinc/18/81/75/174188175.db2.gz OSQDKPXIAKXDMH-MRXNPFEDSA-N 2 2 366.531 1.823 10 0 FDAELP O=C(NCC[N@@H+]1CCc2ccccc2C1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173769118 258310125 /nfs/dbraw/zinc/31/01/25/258310125.db2.gz CWACUKLYVCYJAZ-LJQANCHMSA-N 2 2 358.486 1.161 10 0 FDAELP O=C(NCC[N@H+]1CCc2ccccc2C1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173769118 258310126 /nfs/dbraw/zinc/31/01/26/258310126.db2.gz CWACUKLYVCYJAZ-LJQANCHMSA-N 2 2 358.486 1.161 10 0 FDAELP CCc1ccc([C@@H](CNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)[NH+](C)C)cc1 ZINC000173785781 258311189 /nfs/dbraw/zinc/31/11/89/258311189.db2.gz VZKJHWJCOUHTLV-VQTJNVASSA-N 2 2 374.529 1.968 10 0 FDAELP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000173790667 258311245 /nfs/dbraw/zinc/31/12/45/258311245.db2.gz QESLDXWUCAGVOG-KSZLIROESA-N 2 2 366.550 1.859 10 0 FDAELP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000173790667 258311246 /nfs/dbraw/zinc/31/12/46/258311246.db2.gz QESLDXWUCAGVOG-KSZLIROESA-N 2 2 366.550 1.859 10 0 FDAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)C(=O)NCc2cccs2)nc[nH+]1 ZINC000174285409 258322684 /nfs/dbraw/zinc/32/26/84/258322684.db2.gz RHVHTDNIEAKHJY-UONOGXRCSA-N 2 2 374.514 1.843 10 0 FDAELP C[NH+](C)C[C@H]1CN(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)CCO1 ZINC000176561551 258324894 /nfs/dbraw/zinc/32/48/94/258324894.db2.gz MMSVNCKDSLJOEM-INIZCTEOSA-N 2 2 373.457 1.756 10 0 FDAELP CNC(=O)[C@@H](NC(=O)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C)c1ccccc1 ZINC000178747539 258334460 /nfs/dbraw/zinc/33/44/60/258334460.db2.gz KCNAZRRMLNTWIB-HKUYNNGSSA-N 2 2 369.469 1.259 10 0 FDAELP CNC(=O)[C@@H](NC(=O)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C)c1ccccc1 ZINC000178747539 258334461 /nfs/dbraw/zinc/33/44/61/258334461.db2.gz KCNAZRRMLNTWIB-HKUYNNGSSA-N 2 2 369.469 1.259 10 0 FDAELP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccccc2S(=O)(=O)N2CCOCC2)C1 ZINC000328890713 259064236 /nfs/dbraw/zinc/06/42/36/259064236.db2.gz RYIXWDJVOUWFIV-INIZCTEOSA-N 2 2 367.515 1.139 10 0 FDAELP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccccc2S(=O)(=O)N2CCOCC2)C1 ZINC000328890713 259064237 /nfs/dbraw/zinc/06/42/37/259064237.db2.gz RYIXWDJVOUWFIV-INIZCTEOSA-N 2 2 367.515 1.139 10 0 FDAELP Cc1nc(C[NH+](C)[C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)no1 ZINC000329440275 259096187 /nfs/dbraw/zinc/09/61/87/259096187.db2.gz ACYLCIQAHMRVRV-BHYGNILZSA-N 2 2 363.506 1.921 10 0 FDAELP Cc1nc(C[NH+](C)[C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)no1 ZINC000329440275 259096188 /nfs/dbraw/zinc/09/61/88/259096188.db2.gz ACYLCIQAHMRVRV-BHYGNILZSA-N 2 2 363.506 1.921 10 0 FDAELP Cc1nc(C[N@@H+](C)[C@@H]2CCCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CC2)no1 ZINC000329440275 259096189 /nfs/dbraw/zinc/09/61/89/259096189.db2.gz ACYLCIQAHMRVRV-BHYGNILZSA-N 2 2 363.506 1.921 10 0 FDAELP Cc1nc(C[N@H+](C)[C@@H]2CCCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CC2)no1 ZINC000329440275 259096190 /nfs/dbraw/zinc/09/61/90/259096190.db2.gz ACYLCIQAHMRVRV-BHYGNILZSA-N 2 2 363.506 1.921 10 0 FDAELP CC[C@@H]1C[C@@H](C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)CC(=O)N1 ZINC000329668357 259106599 /nfs/dbraw/zinc/10/65/99/259106599.db2.gz LTUZFILHBYTZKO-ARFHVFGLSA-N 2 2 350.507 1.758 10 0 FDAELP CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000333428204 259347344 /nfs/dbraw/zinc/34/73/44/259347344.db2.gz JNXQLLYHUYKDFR-AYBZRNKSSA-N 2 2 353.470 1.992 10 0 FDAELP CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000333428204 259347345 /nfs/dbraw/zinc/34/73/45/259347345.db2.gz JNXQLLYHUYKDFR-AYBZRNKSSA-N 2 2 353.470 1.992 10 0 FDAELP CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000333428207 259347353 /nfs/dbraw/zinc/34/73/53/259347353.db2.gz JNXQLLYHUYKDFR-IEZWGBDMSA-N 2 2 353.470 1.992 10 0 FDAELP CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000333428207 259347354 /nfs/dbraw/zinc/34/73/54/259347354.db2.gz JNXQLLYHUYKDFR-IEZWGBDMSA-N 2 2 353.470 1.992 10 0 FDAELP O[C@@H](COc1cccc(C[NH2+]CCc2cccnc2)c1)C[NH+]1CCOCC1 ZINC000015076447 518706219 /nfs/dbraw/zinc/70/62/19/518706219.db2.gz DAIORUWANZIIES-HXUWFJFHSA-N 2 2 371.481 1.486 10 0 FDAELP COc1ccc(F)c(C[N@@H+]2CCC[C@]3(CC[NH+](C(CO)CO)C3)C2)c1 ZINC000072447254 522279489 /nfs/dbraw/zinc/27/94/89/522279489.db2.gz OZDGAXQGBKDCCQ-IBGZPJMESA-N 2 2 352.450 1.475 10 0 FDAELP COc1ccc(F)c(C[N@H+]2CCC[C@]3(CC[NH+](C(CO)CO)C3)C2)c1 ZINC000072447254 522279498 /nfs/dbraw/zinc/27/94/98/522279498.db2.gz OZDGAXQGBKDCCQ-IBGZPJMESA-N 2 2 352.450 1.475 10 0 FDAELP COc1ccc(F)c(C[NH+]2CCC[C@]3(CC[N@@H+](C(CO)CO)C3)C2)c1 ZINC000072447254 522279508 /nfs/dbraw/zinc/27/95/08/522279508.db2.gz OZDGAXQGBKDCCQ-IBGZPJMESA-N 2 2 352.450 1.475 10 0 FDAELP COc1ccc(F)c(C[NH+]2CCC[C@]3(CC[N@H+](C(CO)CO)C3)C2)c1 ZINC000072447254 522279519 /nfs/dbraw/zinc/27/95/19/522279519.db2.gz OZDGAXQGBKDCCQ-IBGZPJMESA-N 2 2 352.450 1.475 10 0 FDAELP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000073722827 522594372 /nfs/dbraw/zinc/59/43/72/522594372.db2.gz SURBBVJAYPHQCR-ROUUACIJSA-N 2 2 354.539 1.859 10 0 FDAELP CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)[NH+]2CCC([NH+]3CCCC3)CC2)C1 ZINC000066533792 523097820 /nfs/dbraw/zinc/09/78/20/523097820.db2.gz SCAWQANWPQHZTD-DLBZAZTESA-N 2 2 365.518 1.737 10 0 FDAELP CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2C[NH+]2CCOCC2)C1 ZINC000052740792 523259828 /nfs/dbraw/zinc/25/98/28/523259828.db2.gz KGVZZEMHUZMSLI-QGZVFWFLSA-N 2 2 374.485 1.058 10 0 FDAELP CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2C[NH+]2CCOCC2)C1 ZINC000052740792 523259839 /nfs/dbraw/zinc/25/98/39/523259839.db2.gz KGVZZEMHUZMSLI-QGZVFWFLSA-N 2 2 374.485 1.058 10 0 FDAELP CCC(CC)[C@H](CNC(=O)NC[C@@H](C)[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000077746721 523444388 /nfs/dbraw/zinc/44/43/88/523444388.db2.gz HSZZGVUCTKEUQE-AEFFLSMTSA-N 2 2 370.538 1.143 10 0 FDAELP COCC[N@@H+]1CCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)C[C@@H]1C ZINC000172320478 524200449 /nfs/dbraw/zinc/20/04/49/524200449.db2.gz JMMTVPCIWQFKGZ-IRXDYDNUSA-N 2 2 364.490 1.779 10 0 FDAELP COCC[N@H+]1CCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)C[C@@H]1C ZINC000172320478 524200458 /nfs/dbraw/zinc/20/04/58/524200458.db2.gz JMMTVPCIWQFKGZ-IRXDYDNUSA-N 2 2 364.490 1.779 10 0 FDAELP CCOCC[N@@H+]1CCN(C(=O)[C@@H](C(CC)CC)[NH+]2CCOCC2)C[C@H]1C ZINC000173803967 524461690 /nfs/dbraw/zinc/46/16/90/524461690.db2.gz MHZALFSIECWZPA-IEBWSBKVSA-N 2 2 369.550 1.693 10 0 FDAELP CCOCC[N@H+]1CCN(C(=O)[C@@H](C(CC)CC)[NH+]2CCOCC2)C[C@H]1C ZINC000173803967 524461698 /nfs/dbraw/zinc/46/16/98/524461698.db2.gz MHZALFSIECWZPA-IEBWSBKVSA-N 2 2 369.550 1.693 10 0 FDAELP CCCC(=O)N[C@@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000114456221 524805703 /nfs/dbraw/zinc/80/57/03/524805703.db2.gz QHIPQWVSJYSGOZ-QGZVFWFLSA-N 2 2 352.523 1.356 10 0 FDAELP CCCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000114456221 524805711 /nfs/dbraw/zinc/80/57/11/524805711.db2.gz QHIPQWVSJYSGOZ-QGZVFWFLSA-N 2 2 352.523 1.356 10 0 FDAELP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N(C)CC[NH+](C)C1CC[NH+](C)CC1 ZINC000152379723 524864205 /nfs/dbraw/zinc/86/42/05/524864205.db2.gz QTTVQRJVOMXOLY-LJQANCHMSA-N 3 2 367.582 1.774 10 0 FDAELP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N(C)CC[NH+](C)C1CC[NH+](C)CC1 ZINC000152379723 524864214 /nfs/dbraw/zinc/86/42/14/524864214.db2.gz QTTVQRJVOMXOLY-LJQANCHMSA-N 3 2 367.582 1.774 10 0 FDAELP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000152379723 524864224 /nfs/dbraw/zinc/86/42/24/524864224.db2.gz QTTVQRJVOMXOLY-LJQANCHMSA-N 3 2 367.582 1.774 10 0 FDAELP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000152379723 524864237 /nfs/dbraw/zinc/86/42/37/524864237.db2.gz QTTVQRJVOMXOLY-LJQANCHMSA-N 3 2 367.582 1.774 10 0 FDAELP CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000175345466 524951626 /nfs/dbraw/zinc/95/16/26/524951626.db2.gz DWBBEQISCLELAO-QGZVFWFLSA-N 2 2 364.559 1.808 10 0 FDAELP CC[N@H+]1CCC[C@@H]1CN(C)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000175345466 524951638 /nfs/dbraw/zinc/95/16/38/524951638.db2.gz DWBBEQISCLELAO-QGZVFWFLSA-N 2 2 364.559 1.808 10 0 FDAELP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCSCC2)CC1 ZINC000152666374 524965071 /nfs/dbraw/zinc/96/50/71/524965071.db2.gz GTYUFYMUCGOGGA-MRXNPFEDSA-N 2 2 365.547 1.118 10 0 FDAELP CC(C)OCC[NH+]1CCC(Nc2cc(N3CCC[C@H]3CO)[nH+]cn2)CC1 ZINC000176740037 525171466 /nfs/dbraw/zinc/17/14/66/525171466.db2.gz JCABCLBYULKSEY-KRWDZBQOSA-N 2 2 363.506 1.739 10 0 FDAELP CC(C)OCC[NH+]1CCC(Nc2cc(N3CCC[C@H]3CO)nc[nH+]2)CC1 ZINC000176740037 525171472 /nfs/dbraw/zinc/17/14/72/525171472.db2.gz JCABCLBYULKSEY-KRWDZBQOSA-N 2 2 363.506 1.739 10 0 FDAELP CCOCC[N@@H+]1CCN(C(=O)NC[C@@H](C)Cn2cc[nH+]c2C)C[C@@H]1CC ZINC000117041766 525274470 /nfs/dbraw/zinc/27/44/70/525274470.db2.gz SDFXZKJVCNBPEH-AEFFLSMTSA-N 2 2 365.522 1.970 10 0 FDAELP CCOCC[N@H+]1CCN(C(=O)NC[C@@H](C)Cn2cc[nH+]c2C)C[C@@H]1CC ZINC000117041766 525274481 /nfs/dbraw/zinc/27/44/81/525274481.db2.gz SDFXZKJVCNBPEH-AEFFLSMTSA-N 2 2 365.522 1.970 10 0 FDAELP CC[NH+](CC)[C@H](CNC(=O)NC[C@H]1C[N@H+](C)CCO1)Cc1ccccc1 ZINC000104793142 525438294 /nfs/dbraw/zinc/43/82/94/525438294.db2.gz IVKPPLOEPWJUJA-OALUTQOASA-N 2 2 362.518 1.569 10 0 FDAELP CC[NH+](CC)[C@H](CNC(=O)NC[C@H]1C[N@@H+](C)CCO1)Cc1ccccc1 ZINC000104793142 525438303 /nfs/dbraw/zinc/43/83/03/525438303.db2.gz IVKPPLOEPWJUJA-OALUTQOASA-N 2 2 362.518 1.569 10 0 FDAELP CC1CC[NH+](C[C@@H]2CCCN(C(=O)NC[C@@H]3C[N@H+](C)CCO3)C2)CC1 ZINC000105283438 525489535 /nfs/dbraw/zinc/48/95/35/525489535.db2.gz COHVKGXTRSHPQT-ZWKOTPCHSA-N 2 2 352.523 1.471 10 0 FDAELP CC1CC[NH+](C[C@@H]2CCCN(C(=O)NC[C@@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC000105283438 525489543 /nfs/dbraw/zinc/48/95/43/525489543.db2.gz COHVKGXTRSHPQT-ZWKOTPCHSA-N 2 2 352.523 1.471 10 0 FDAELP CC(=O)Nc1cccc(C[NH+]2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)c1 ZINC000106120645 525613237 /nfs/dbraw/zinc/61/32/37/525613237.db2.gz MXUFVIIOCAMNCG-NRFANRHFSA-N 2 2 374.529 1.872 10 0 FDAELP CC(=O)Nc1cccc(C[NH+]2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)c1 ZINC000106120645 525613244 /nfs/dbraw/zinc/61/32/44/525613244.db2.gz MXUFVIIOCAMNCG-NRFANRHFSA-N 2 2 374.529 1.872 10 0 FDAELP CN(Cc1ccccc1)C(=O)C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106131024 525623217 /nfs/dbraw/zinc/62/32/17/525623217.db2.gz BFQFXOPHCDIGIH-UHFFFAOYSA-N 2 2 369.513 1.938 10 0 FDAELP CN(Cc1ccccc1)C(=O)C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106131024 525623221 /nfs/dbraw/zinc/62/32/21/525623221.db2.gz BFQFXOPHCDIGIH-UHFFFAOYSA-N 2 2 369.513 1.938 10 0 FDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N2CCC3(CC2)OCCO3)C1 ZINC000106212667 525675859 /nfs/dbraw/zinc/67/58/59/525675859.db2.gz XDHPPQKSNFPCJV-MRXNPFEDSA-N 2 2 362.474 1.448 10 0 FDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N2CCC3(CC2)OCCO3)C1 ZINC000106212667 525675867 /nfs/dbraw/zinc/67/58/67/525675867.db2.gz XDHPPQKSNFPCJV-MRXNPFEDSA-N 2 2 362.474 1.448 10 0 FDAELP OC[C@H]([NH2+]CC1(C[NH2+][C@@H](CO)c2ccccc2)COC1)c1ccccc1 ZINC000182422236 526168228 /nfs/dbraw/zinc/16/82/28/526168228.db2.gz MAJHFAZXOYROBP-PMACEKPBSA-N 2 2 356.466 1.649 10 0 FDAELP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000120866001 526204821 /nfs/dbraw/zinc/20/48/21/526204821.db2.gz SRBXTIZTTBLERQ-GOEBONIOSA-N 2 2 352.504 1.467 10 0 FDAELP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000120866001 526204827 /nfs/dbraw/zinc/20/48/27/526204827.db2.gz SRBXTIZTTBLERQ-GOEBONIOSA-N 2 2 352.504 1.467 10 0 FDAELP CC(C)CN(CC(C)C)c1[nH+]cnc(N2CC[NH+](CCO)CC2)c1N ZINC000040734200 535038483 /nfs/dbraw/zinc/03/84/83/535038483.db2.gz PMHRHAGWCGLDKH-UHFFFAOYSA-N 2 2 350.511 1.292 10 0 FDAELP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC000184197572 536112631 /nfs/dbraw/zinc/11/26/31/536112631.db2.gz DUSOLYVPHHIMLF-RBUKOAKNSA-N 2 2 363.502 1.915 10 0 FDAELP CCCC[N@H+]1CCOC[C@@H]1C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC000184197572 536112634 /nfs/dbraw/zinc/11/26/34/536112634.db2.gz DUSOLYVPHHIMLF-RBUKOAKNSA-N 2 2 363.502 1.915 10 0 FDAELP CC[C@@H](O)C[NH+]1CCN(C(=O)NCCn2c(C)[nH+]c3ccccc32)CC1 ZINC000184742743 536180855 /nfs/dbraw/zinc/18/08/55/536180855.db2.gz OYUPNKYYTKSQAQ-MRXNPFEDSA-N 2 2 359.474 1.443 10 0 FDAELP CC[C@@H](O)C[NH+]1CCN(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)CC1 ZINC000184812530 536185396 /nfs/dbraw/zinc/18/53/96/536185396.db2.gz KTHRVEGWNKGBAF-QGZVFWFLSA-N 2 2 361.490 1.280 10 0 FDAELP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)NCc2ccc[nH+]c2N(C)C)CC1 ZINC000184832460 536186521 /nfs/dbraw/zinc/18/65/21/536186521.db2.gz LEGQJHCDAITDFX-OAHLLOKOSA-N 2 2 363.506 1.382 10 0 FDAELP CC[C@H](O)C[NH+]1CCN(C(=O)NCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000184831454 536186587 /nfs/dbraw/zinc/18/65/87/536186587.db2.gz HYXAVDXKWKMHKK-IBGZPJMESA-N 2 2 360.502 1.143 10 0 FDAELP CC[C@H](O)C[NH+]1CCN(C(=O)NCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000184831454 536186588 /nfs/dbraw/zinc/18/65/88/536186588.db2.gz HYXAVDXKWKMHKK-IBGZPJMESA-N 2 2 360.502 1.143 10 0 FDAELP O=C([C@H](c1ccccc1)[NH+]1CCC(O)CC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246384592 536942446 /nfs/dbraw/zinc/94/24/46/536942446.db2.gz HWDGYOQOHGRHAX-ICSRJNTNSA-N 2 2 357.498 1.881 10 0 FDAELP O=C([C@H](c1ccccc1)[NH+]1CCC(O)CC1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000246384592 536942449 /nfs/dbraw/zinc/94/24/49/536942449.db2.gz HWDGYOQOHGRHAX-ICSRJNTNSA-N 2 2 357.498 1.881 10 0 FDAELP O=C(NC[C@@H](c1ccccc1)[NH+]1CCOCC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246562707 536981101 /nfs/dbraw/zinc/98/11/01/536981101.db2.gz ZKVIIULEHMTDJK-PMACEKPBSA-N 2 2 372.513 1.940 10 0 FDAELP O=C(NC[C@@H](c1ccccc1)[NH+]1CCOCC1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000246562707 536981103 /nfs/dbraw/zinc/98/11/03/536981103.db2.gz ZKVIIULEHMTDJK-PMACEKPBSA-N 2 2 372.513 1.940 10 0 FDAELP O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263180937 536987972 /nfs/dbraw/zinc/98/79/72/536987972.db2.gz GTUWFILSLQYKOW-MRXNPFEDSA-N 2 2 353.413 1.775 10 0 FDAELP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000263308858 537015154 /nfs/dbraw/zinc/01/51/54/537015154.db2.gz YHQXNZWDMBRSET-GXSJLCMTSA-N 2 2 351.191 1.720 10 0 FDAELP COC(=O)Cn1cc(CC[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)nn1 ZINC000189902852 537112371 /nfs/dbraw/zinc/11/23/71/537112371.db2.gz XZOOFWXVRUVRIJ-CQSZACIVSA-N 2 2 354.414 1.530 10 0 FDAELP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000247535729 537130965 /nfs/dbraw/zinc/13/09/65/537130965.db2.gz XZOQOTYYJMIPRG-HOJAQTOUSA-N 2 2 372.513 1.938 10 0 FDAELP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000247535729 537130967 /nfs/dbraw/zinc/13/09/67/537130967.db2.gz XZOQOTYYJMIPRG-HOJAQTOUSA-N 2 2 372.513 1.938 10 0 FDAELP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+][C@@H]2C[N@@H+](C(C)C)C[C@H]2C)CC1 ZINC000248394566 537176336 /nfs/dbraw/zinc/17/63/36/537176336.db2.gz XZTAQLQOUVJSOF-SOLBZPMBSA-N 2 2 367.534 1.885 10 0 FDAELP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+][C@@H]2C[N@H+](C(C)C)C[C@H]2C)CC1 ZINC000248394566 537176339 /nfs/dbraw/zinc/17/63/39/537176339.db2.gz XZTAQLQOUVJSOF-SOLBZPMBSA-N 2 2 367.534 1.885 10 0 FDAELP C[C@@H](CNC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)[NH+]1CCOCC1 ZINC000193095926 537239807 /nfs/dbraw/zinc/23/98/07/537239807.db2.gz BQAKXLNBMSSRGW-YOEHRIQHSA-N 2 2 368.909 1.963 10 0 FDAELP CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)C1 ZINC000246193450 537664520 /nfs/dbraw/zinc/66/45/20/537664520.db2.gz IPFJVGLVVIOTNC-JKSUJKDBSA-N 2 2 352.504 1.487 10 0 FDAELP CS(=O)(=O)N1CCC[C@H](C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)C1 ZINC000246193450 537664523 /nfs/dbraw/zinc/66/45/23/537664523.db2.gz IPFJVGLVVIOTNC-JKSUJKDBSA-N 2 2 352.504 1.487 10 0 FDAELP COC(=O)N[C@H](CC(C)C)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000112921527 671644148 /nfs/dbraw/zinc/64/41/48/671644148.db2.gz WVUMEJQQGJQVLJ-MRXNPFEDSA-N 2 2 356.511 1.242 10 0 FDAELP COC(=O)N[C@H](CC(C)C)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000112921527 671644149 /nfs/dbraw/zinc/64/41/49/671644149.db2.gz WVUMEJQQGJQVLJ-MRXNPFEDSA-N 2 2 356.511 1.242 10 0 FDAELP C[C@@]([NH3+])(C(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1)c1ccccc1 ZINC000192530034 178118885 /nfs/dbraw/zinc/11/88/85/178118885.db2.gz DHFJMLYWYZUHBE-FPOVZHCZSA-N 2 2 353.466 1.738 10 0 FDAELP [NH3+]C[C@@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)Nc2cc[nH+]cc2)cc1 ZINC000237853325 178334640 /nfs/dbraw/zinc/33/46/40/178334640.db2.gz JEGPJNOBIGWKAZ-INIZCTEOSA-N 2 2 374.466 1.836 10 0 FDAELP OCC[N@@H+]1CCC[C@@H]([NH2+]Cc2cccc(I)c2)C1 ZINC000384642211 537760034 /nfs/dbraw/zinc/76/00/34/537760034.db2.gz XMGIKBXKEKXHIY-CQSZACIVSA-N 2 2 360.239 1.838 10 0 FDAELP OCC[N@H+]1CCC[C@@H]([NH2+]Cc2cccc(I)c2)C1 ZINC000384642211 537760039 /nfs/dbraw/zinc/76/00/39/537760039.db2.gz XMGIKBXKEKXHIY-CQSZACIVSA-N 2 2 360.239 1.838 10 0 FDAELP Cc1noc(C)c1C[N@H+]1CCC[C@@]2(CN(Cc3[nH+]ccn3C)CCO2)C1 ZINC000096074932 209108843 /nfs/dbraw/zinc/10/88/43/209108843.db2.gz CSOQCCWBZCGGGF-IBGZPJMESA-N 2 2 359.474 1.892 10 0 FDAELP Cc1noc(C)c1C[N@@H+]1CCC[C@@]2(CN(Cc3[nH+]ccn3C)CCO2)C1 ZINC000096074932 209108848 /nfs/dbraw/zinc/10/88/48/209108848.db2.gz CSOQCCWBZCGGGF-IBGZPJMESA-N 2 2 359.474 1.892 10 0 FDAELP O=C(C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)NC(=O)NC1CCCCC1 ZINC000171646752 258267429 /nfs/dbraw/zinc/26/74/29/258267429.db2.gz VPUSZIGGVHINMU-HNNXBMFYSA-N 2 2 359.474 1.974 10 0 FDAELP O=C(C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)NC(=O)NC1CCCCC1 ZINC000171646752 258267430 /nfs/dbraw/zinc/26/74/30/258267430.db2.gz VPUSZIGGVHINMU-HNNXBMFYSA-N 2 2 359.474 1.974 10 0 FDAELP C[N@@H+]1CCO[C@@H](CNC(=O)NCC(C)(C)[NH+]2CCc3ccccc3C2)C1 ZINC000104779875 172385135 /nfs/dbraw/zinc/38/51/35/172385135.db2.gz NKSLQBXMUPCKTL-SFHVURJKSA-N 2 2 360.502 1.453 10 0 FDAELP C[N@H+]1CCO[C@@H](CNC(=O)NCC(C)(C)[NH+]2CCc3ccccc3C2)C1 ZINC000104779875 172385137 /nfs/dbraw/zinc/38/51/37/172385137.db2.gz NKSLQBXMUPCKTL-SFHVURJKSA-N 2 2 360.502 1.453 10 0 FDAELP C[NH+]1CCO[C@@H](CNC(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)C1 ZINC000104779875 172385138 /nfs/dbraw/zinc/38/51/38/172385138.db2.gz NKSLQBXMUPCKTL-SFHVURJKSA-N 2 2 360.502 1.453 10 0 FDAELP C[NH+]1CCO[C@@H](CNC(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)C1 ZINC000104779875 172385139 /nfs/dbraw/zinc/38/51/39/172385139.db2.gz NKSLQBXMUPCKTL-SFHVURJKSA-N 2 2 360.502 1.453 10 0 FDAELP Cc1nn(C)c(N2CCOCC2)c1C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000128265256 173105367 /nfs/dbraw/zinc/10/53/67/173105367.db2.gz JGUHVBGYYIRXEC-KRWDZBQOSA-N 2 2 370.501 1.894 10 0 FDAELP Cc1nn(C)c(N2CCOCC2)c1C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000128265256 173105368 /nfs/dbraw/zinc/10/53/68/173105368.db2.gz JGUHVBGYYIRXEC-KRWDZBQOSA-N 2 2 370.501 1.894 10 0 FDAELP CC[N@@H+]1CCC[C@H]1CN(C)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000175335582 174000489 /nfs/dbraw/zinc/00/04/89/174000489.db2.gz LDQFTWLRTSLPAM-FQEVSTJZSA-N 2 2 374.529 1.873 10 0 FDAELP CC[N@H+]1CCC[C@H]1CN(C)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000175335582 174000491 /nfs/dbraw/zinc/00/04/91/174000491.db2.gz LDQFTWLRTSLPAM-FQEVSTJZSA-N 2 2 374.529 1.873 10 0 FDAELP C[N@H+](CCNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)Cc1ccc(F)cc1 ZINC000175954949 174039609 /nfs/dbraw/zinc/03/96/09/174039609.db2.gz JBVXJWQKKJYDAM-SFHVURJKSA-N 2 2 364.465 1.374 10 0 FDAELP C[N@@H+](CCNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)Cc1ccc(F)cc1 ZINC000175954949 174039611 /nfs/dbraw/zinc/03/96/11/174039611.db2.gz JBVXJWQKKJYDAM-SFHVURJKSA-N 2 2 364.465 1.374 10 0 FDAELP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)c2ccnc(-n3cc[nH+]c3)c2)CC1 ZINC000176446785 174071384 /nfs/dbraw/zinc/07/13/84/174071384.db2.gz NSMRSELHKFELRU-OAHLLOKOSA-N 2 2 357.458 1.432 10 0 FDAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)NCC(=O)OC(C)(C)C)C1 ZINC000181852927 177488282 /nfs/dbraw/zinc/48/82/82/177488282.db2.gz YLTOELPPDXCYAJ-AWEZNQCLSA-N 2 2 350.463 1.540 10 0 FDAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)NCC(=O)OC(C)(C)C)C1 ZINC000181852927 177488283 /nfs/dbraw/zinc/48/82/83/177488283.db2.gz YLTOELPPDXCYAJ-AWEZNQCLSA-N 2 2 350.463 1.540 10 0 FDAELP CC[N@@H+]1CCC[C@H](NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1 ZINC000174233288 258321935 /nfs/dbraw/zinc/32/19/35/258321935.db2.gz JULSJRFGUYQXGD-SFHVURJKSA-N 3 2 365.566 1.720 10 0 FDAELP CC[N@H+]1CCC[C@H](NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1 ZINC000174233288 258321936 /nfs/dbraw/zinc/32/19/36/258321936.db2.gz JULSJRFGUYQXGD-SFHVURJKSA-N 3 2 365.566 1.720 10 0 FDAELP Cc1ccc(N2CCC(C(=O)N3CC[N@@H+](C[C@@H](C)O)[C@@H](C)C3)CC2)[nH+]c1 ZINC000174306947 258323545 /nfs/dbraw/zinc/32/35/45/258323545.db2.gz CZORZSXKKLRVHW-DLBZAZTESA-N 2 2 360.502 1.520 10 0 FDAELP Cc1ccc(N2CCC(C(=O)N3CC[N@H+](C[C@@H](C)O)[C@@H](C)C3)CC2)[nH+]c1 ZINC000174306947 258323546 /nfs/dbraw/zinc/32/35/46/258323546.db2.gz CZORZSXKKLRVHW-DLBZAZTESA-N 2 2 360.502 1.520 10 0 FDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000178335153 258328666 /nfs/dbraw/zinc/32/86/66/258328666.db2.gz JJZUZTLFXOCBLP-AEFFLSMTSA-N 2 2 363.483 1.793 10 0 FDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000178335153 258328667 /nfs/dbraw/zinc/32/86/67/258328667.db2.gz JJZUZTLFXOCBLP-AEFFLSMTSA-N 2 2 363.483 1.793 10 0 FDAELP Cn1c2ccc(NC(=O)C(=O)N3CC[N@@H+]4CCC[C@H]4C3)cc2[nH+]c1C1CC1 ZINC000179280728 258347633 /nfs/dbraw/zinc/34/76/33/258347633.db2.gz NAIBOLWFNHQXGX-HNNXBMFYSA-N 2 2 367.453 1.696 10 0 FDAELP Cn1c2ccc(NC(=O)C(=O)N3CC[N@H+]4CCC[C@H]4C3)cc2[nH+]c1C1CC1 ZINC000179280728 258347634 /nfs/dbraw/zinc/34/76/34/258347634.db2.gz NAIBOLWFNHQXGX-HNNXBMFYSA-N 2 2 367.453 1.696 10 0 FDAELP C[C@H]1CN(C(=O)c2ccc3c(c2)OCC(=O)N3)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000329094085 259077075 /nfs/dbraw/zinc/07/70/75/259077075.db2.gz KJJUFXKHTPJGSX-AWEZNQCLSA-N 2 2 372.469 1.908 10 0 FDAELP C[C@H]1CN(C(=O)c2ccc3c(c2)OCC(=O)N3)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000329094085 259077076 /nfs/dbraw/zinc/07/70/76/259077076.db2.gz KJJUFXKHTPJGSX-AWEZNQCLSA-N 2 2 372.469 1.908 10 0 FDAELP [NH3+][C@@H]1[C@@H]([NH3+])[C@@H]2O[C@@H](c3ccccc3)OC[C@H]2O[C@@H]1OCc1ccccc1 ZINC000035589903 519610495 /nfs/dbraw/zinc/61/04/95/519610495.db2.gz OJLNDEYLFMDMER-YRYYUTHUSA-N 2 2 356.422 1.697 10 0 FDAELP COC[C@H](O)C[NH+]1CCN(c2nc(C)[nH+]c(C)c2Cc2ccccc2)CC1 ZINC000036340437 519620423 /nfs/dbraw/zinc/62/04/23/519620423.db2.gz MAOTUBQIZZGRAE-LJQANCHMSA-N 2 2 370.497 1.814 10 0 FDAELP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H]3COc4ccccc43)CC2)CC1 ZINC000051300942 523007896 /nfs/dbraw/zinc/00/78/96/523007896.db2.gz XPGLGRXXGBIEKT-SFHVURJKSA-N 2 2 358.486 1.978 10 0 FDAELP C[C@@H](CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1)[NH+]1CCOCC1 ZINC000077789629 523464643 /nfs/dbraw/zinc/46/46/43/523464643.db2.gz VHDCVNXWMIOYBI-KRWDZBQOSA-N 2 2 360.502 1.802 10 0 FDAELP C[C@@H](C(=O)NC[C@@H]1C[N@H+](C)CCO1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000110673421 524119400 /nfs/dbraw/zinc/11/94/00/524119400.db2.gz RRULMVLSNCJQBM-FXAWDEMLSA-N 2 2 359.514 1.776 10 0 FDAELP C[C@@H](C(=O)NC[C@@H]1C[N@@H+](C)CCO1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000110673421 524119406 /nfs/dbraw/zinc/11/94/06/524119406.db2.gz RRULMVLSNCJQBM-FXAWDEMLSA-N 2 2 359.514 1.776 10 0 FDAELP CCOCC[N@@H+]1CCN(C(=O)NCC[NH+]2CCOC(C)(C)C2)C[C@@H]1CC ZINC000172131544 524127512 /nfs/dbraw/zinc/12/75/12/524127512.db2.gz OLFZCIDXJGYABN-KRWDZBQOSA-N 2 2 370.538 1.240 10 0 FDAELP CCOCC[N@H+]1CCN(C(=O)NCC[NH+]2CCOC(C)(C)C2)C[C@@H]1CC ZINC000172131544 524127518 /nfs/dbraw/zinc/12/75/18/524127518.db2.gz OLFZCIDXJGYABN-KRWDZBQOSA-N 2 2 370.538 1.240 10 0 FDAELP CCOCC[NH+]1CCN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C[C@@H]1CC ZINC000172131544 524127525 /nfs/dbraw/zinc/12/75/25/524127525.db2.gz OLFZCIDXJGYABN-KRWDZBQOSA-N 2 2 370.538 1.240 10 0 FDAELP CCOCC[NH+]1CCN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)C[C@@H]1CC ZINC000172131544 524127533 /nfs/dbraw/zinc/12/75/33/524127533.db2.gz OLFZCIDXJGYABN-KRWDZBQOSA-N 2 2 370.538 1.240 10 0 FDAELP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000173313405 524366973 /nfs/dbraw/zinc/36/69/73/524366973.db2.gz NIAWJGKVRXXHPW-FUHWJXTLSA-N 2 2 368.485 1.689 10 0 FDAELP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000173313405 524366979 /nfs/dbraw/zinc/36/69/79/524366979.db2.gz NIAWJGKVRXXHPW-FUHWJXTLSA-N 2 2 368.485 1.689 10 0 FDAELP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000122137637 524460276 /nfs/dbraw/zinc/46/02/76/524460276.db2.gz APHMMVYDQBNECD-RDTXWAMCSA-N 2 2 357.458 1.872 10 0 FDAELP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000122137637 524460285 /nfs/dbraw/zinc/46/02/85/524460285.db2.gz APHMMVYDQBNECD-RDTXWAMCSA-N 2 2 357.458 1.872 10 0 FDAELP CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CCCN2c2cc(NC)[nH+]cn2)C1 ZINC000174234459 524531289 /nfs/dbraw/zinc/53/12/89/524531289.db2.gz MZNCTOKWFHEQAV-CABCVRRESA-N 2 2 361.494 1.271 10 0 FDAELP CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CCCN2c2cc(NC)[nH+]cn2)C1 ZINC000174234459 524531298 /nfs/dbraw/zinc/53/12/98/524531298.db2.gz MZNCTOKWFHEQAV-CABCVRRESA-N 2 2 361.494 1.271 10 0 FDAELP CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CCCN2c2cc(NC)nc[nH+]2)C1 ZINC000174234459 524531303 /nfs/dbraw/zinc/53/13/03/524531303.db2.gz MZNCTOKWFHEQAV-CABCVRRESA-N 2 2 361.494 1.271 10 0 FDAELP CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CCCN2c2cc(NC)nc[nH+]2)C1 ZINC000174234459 524531310 /nfs/dbraw/zinc/53/13/10/524531310.db2.gz MZNCTOKWFHEQAV-CABCVRRESA-N 2 2 361.494 1.271 10 0 FDAELP C[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)[NH+]1CCOCC1 ZINC000114783398 524871316 /nfs/dbraw/zinc/87/13/16/524871316.db2.gz QLJFYRNFDQIBIW-MJGOQNOKSA-N 2 2 360.502 1.671 10 0 FDAELP C[C@H](CNC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)[NH+]1CCOCC1 ZINC000114783398 524871330 /nfs/dbraw/zinc/87/13/30/524871330.db2.gz QLJFYRNFDQIBIW-MJGOQNOKSA-N 2 2 360.502 1.671 10 0 FDAELP CC[N@H+](CC(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1)C1CC1 ZINC000152753592 524993443 /nfs/dbraw/zinc/99/34/43/524993443.db2.gz KNFYZUXANLIBHY-GOSISDBHSA-N 2 2 361.486 1.055 10 0 FDAELP CC[N@@H+](CC(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1)C1CC1 ZINC000152753592 524993450 /nfs/dbraw/zinc/99/34/50/524993450.db2.gz KNFYZUXANLIBHY-GOSISDBHSA-N 2 2 361.486 1.055 10 0 FDAELP Cn1cc([C@H]2CC[N@H+](CCC(=O)N3CCN(c4cccc[nH+]4)CC3)C2)cn1 ZINC000116310244 525132434 /nfs/dbraw/zinc/13/24/34/525132434.db2.gz SLZZZSIEZOCRIU-KRWDZBQOSA-N 2 2 368.485 1.343 10 0 FDAELP Cn1cc([C@H]2CC[N@@H+](CCC(=O)N3CCN(c4cccc[nH+]4)CC3)C2)cn1 ZINC000116310244 525132440 /nfs/dbraw/zinc/13/24/40/525132440.db2.gz SLZZZSIEZOCRIU-KRWDZBQOSA-N 2 2 368.485 1.343 10 0 FDAELP CC(C)CC(=O)N[C@H](C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)C(C)C ZINC000177149594 525249396 /nfs/dbraw/zinc/24/93/96/525249396.db2.gz WEKUBDLQDNVORJ-SFHVURJKSA-N 2 2 354.539 1.316 10 0 FDAELP CC[C@H]1CN(C(=O)NCc2cccnc2-n2cc[nH+]c2)CC[N@@H+]1CCOC ZINC000117477150 525344411 /nfs/dbraw/zinc/34/44/11/525344411.db2.gz VIAHAEGZASFMDK-KRWDZBQOSA-N 2 2 372.473 1.520 10 0 FDAELP CC[C@H]1CN(C(=O)NCc2cccnc2-n2cc[nH+]c2)CC[N@H+]1CCOC ZINC000117477150 525344418 /nfs/dbraw/zinc/34/44/18/525344418.db2.gz VIAHAEGZASFMDK-KRWDZBQOSA-N 2 2 372.473 1.520 10 0 FDAELP COCC[N@@H+]1CCN(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000117473371 525345122 /nfs/dbraw/zinc/34/51/22/525345122.db2.gz WGUJQBATVBBVLW-ZACQAIPSSA-N 2 2 370.538 1.236 10 0 FDAELP COCC[N@H+]1CCN(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000117473371 525345128 /nfs/dbraw/zinc/34/51/28/525345128.db2.gz WGUJQBATVBBVLW-ZACQAIPSSA-N 2 2 370.538 1.236 10 0 FDAELP COCC[NH+]1CCN(C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000117473371 525345132 /nfs/dbraw/zinc/34/51/32/525345132.db2.gz WGUJQBATVBBVLW-ZACQAIPSSA-N 2 2 370.538 1.236 10 0 FDAELP COCC[NH+]1CCN(C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000117473371 525345140 /nfs/dbraw/zinc/34/51/40/525345140.db2.gz WGUJQBATVBBVLW-ZACQAIPSSA-N 2 2 370.538 1.236 10 0 FDAELP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000105279731 525485743 /nfs/dbraw/zinc/48/57/43/525485743.db2.gz SGQVMUSVNYLKOM-KRWDZBQOSA-N 2 2 352.454 1.230 10 0 FDAELP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000105279731 525485756 /nfs/dbraw/zinc/48/57/56/525485756.db2.gz SGQVMUSVNYLKOM-KRWDZBQOSA-N 2 2 352.454 1.230 10 0 FDAELP CCCN(CCC)C(=O)C[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000106122972 525616218 /nfs/dbraw/zinc/61/62/18/525616218.db2.gz HDGJSZPHCCWJIM-LJQANCHMSA-N 2 2 368.566 1.362 10 0 FDAELP CCCN(CCC)C(=O)C[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000106122972 525616224 /nfs/dbraw/zinc/61/62/24/525616224.db2.gz HDGJSZPHCCWJIM-LJQANCHMSA-N 2 2 368.566 1.362 10 0 FDAELP CCCCNC(=O)[C@H](C)[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000106121920 525617889 /nfs/dbraw/zinc/61/78/89/525617889.db2.gz DSXUIIXQRCVCHJ-ZWKOTPCHSA-N 2 2 354.539 1.018 10 0 FDAELP CCCCNC(=O)[C@H](C)[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000106121920 525617900 /nfs/dbraw/zinc/61/79/00/525617900.db2.gz DSXUIIXQRCVCHJ-ZWKOTPCHSA-N 2 2 354.539 1.018 10 0 FDAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCO[C@H](Cn4cccn4)C3)c2cc1C ZINC000106189637 525660475 /nfs/dbraw/zinc/66/04/75/525660475.db2.gz BYUSWMATVMDKPQ-MSOLQXFVSA-N 2 2 369.469 1.612 10 0 FDAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCO[C@H](Cn4cccn4)C3)c2cc1C ZINC000106189637 525660477 /nfs/dbraw/zinc/66/04/77/525660477.db2.gz BYUSWMATVMDKPQ-MSOLQXFVSA-N 2 2 369.469 1.612 10 0 FDAELP C[NH+](C)C[C@H]1C[N@H+](CCCCCn2nnc(-c3ccccc3)n2)CCO1 ZINC000155374784 525844079 /nfs/dbraw/zinc/84/40/79/525844079.db2.gz QYHDXPFVCSEUQI-SFHVURJKSA-N 2 2 358.490 1.773 10 0 FDAELP C[NH+](C)C[C@H]1C[N@@H+](CCCCCn2nnc(-c3ccccc3)n2)CCO1 ZINC000155374784 525844085 /nfs/dbraw/zinc/84/40/85/525844085.db2.gz QYHDXPFVCSEUQI-SFHVURJKSA-N 2 2 358.490 1.773 10 0 FDAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](CCCC(=O)OC(C)(C)C)CC2)C1 ZINC000181821311 525944137 /nfs/dbraw/zinc/94/41/37/525944137.db2.gz VUFAIOZZIUYRRS-GOSISDBHSA-N 2 2 369.550 1.835 10 0 FDAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](CCCC(=O)OC(C)(C)C)CC2)C1 ZINC000181821311 525944143 /nfs/dbraw/zinc/94/41/43/525944143.db2.gz VUFAIOZZIUYRRS-GOSISDBHSA-N 2 2 369.550 1.835 10 0 FDAELP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)NCC(=O)OC(C)(C)C)C2)[nH+]1 ZINC000181901043 525974530 /nfs/dbraw/zinc/97/45/30/525974530.db2.gz QZUJLRNLLFOPOE-OAHLLOKOSA-N 2 2 362.474 1.582 10 0 FDAELP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)NCC(=O)OC(C)(C)C)C2)[nH+]1 ZINC000181901043 525974545 /nfs/dbraw/zinc/97/45/45/525974545.db2.gz QZUJLRNLLFOPOE-OAHLLOKOSA-N 2 2 362.474 1.582 10 0 FDAELP Cn1cc[nH+]c1CN(CC(=O)NCc1ccccc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000262090952 527428789 /nfs/dbraw/zinc/42/87/89/527428789.db2.gz GYTKYYNPRUDKRS-GOSISDBHSA-N 2 2 367.497 1.681 10 0 FDAELP CC[C@@H]1CN(c2cc(N3CCCC[C@@H]3CO)[nH+]cn2)CC[N@@H+]1CCOC ZINC000183149010 535928358 /nfs/dbraw/zinc/92/83/58/535928358.db2.gz OVLGHJAVMRBOCI-IAGOWNOFSA-N 2 2 363.506 1.375 10 0 FDAELP CC[C@@H]1CN(c2cc(N3CCCC[C@@H]3CO)[nH+]cn2)CC[N@H+]1CCOC ZINC000183149010 535928361 /nfs/dbraw/zinc/92/83/61/535928361.db2.gz OVLGHJAVMRBOCI-IAGOWNOFSA-N 2 2 363.506 1.375 10 0 FDAELP CC[C@H](O)C[NH+]1CCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000184857787 536188220 /nfs/dbraw/zinc/18/82/20/536188220.db2.gz COLUHQZQPBJCFB-KRWDZBQOSA-N 2 2 361.490 1.149 10 0 FDAELP CNc1cc(N2CCC[C@H]2CNC(=O)NC[C@H]2CCC[N@H+](C)C2)nc[nH+]1 ZINC000246465837 536958786 /nfs/dbraw/zinc/95/87/86/536958786.db2.gz VEWWNMMHDUPYKP-CABCVRRESA-N 2 2 361.494 1.128 10 0 FDAELP CNc1cc(N2CCC[C@H]2CNC(=O)NC[C@H]2CCC[N@@H+](C)C2)nc[nH+]1 ZINC000246465837 536958791 /nfs/dbraw/zinc/95/87/91/536958791.db2.gz VEWWNMMHDUPYKP-CABCVRRESA-N 2 2 361.494 1.128 10 0 FDAELP CNc1cc(N2CCC[C@H]2CNC(=O)NC[C@H]2CCC[N@H+](C)C2)[nH+]cn1 ZINC000246465837 536958797 /nfs/dbraw/zinc/95/87/97/536958797.db2.gz VEWWNMMHDUPYKP-CABCVRRESA-N 2 2 361.494 1.128 10 0 FDAELP CNc1cc(N2CCC[C@H]2CNC(=O)NC[C@H]2CCC[N@@H+](C)C2)[nH+]cn1 ZINC000246465837 536958801 /nfs/dbraw/zinc/95/88/01/536958801.db2.gz VEWWNMMHDUPYKP-CABCVRRESA-N 2 2 361.494 1.128 10 0 FDAELP CCC(CC)[C@H](C(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1)[NH+]1CCOCC1 ZINC000246613792 536991020 /nfs/dbraw/zinc/99/10/20/536991020.db2.gz CNUNWPMHTYBFLV-LZLYRXPVSA-N 2 2 355.523 1.037 10 0 FDAELP CCC(CC)[C@H](C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1)[NH+]1CCOCC1 ZINC000246613792 536991023 /nfs/dbraw/zinc/99/10/23/536991023.db2.gz CNUNWPMHTYBFLV-LZLYRXPVSA-N 2 2 355.523 1.037 10 0 FDAELP Cc1nc(C[NH+]2CCC(CNC(=O)[C@H]3CC(F)(F)C[NH2+]3)CC2)oc1C ZINC000263294188 537011455 /nfs/dbraw/zinc/01/14/55/537011455.db2.gz WCFKYMPKZLEUOP-CQSZACIVSA-N 2 2 356.417 1.617 10 0 FDAELP C[C@@H]1CCC[C@](CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)([NH+](C)C)C1 ZINC000246892938 537046843 /nfs/dbraw/zinc/04/68/43/537046843.db2.gz HFWQUEWAOMNSHX-LMMKCTJWSA-N 2 2 352.523 1.613 10 0 FDAELP CC[NH+]1CCN(C(=O)NC[C@@H](c2cccs2)[N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000248358176 537173824 /nfs/dbraw/zinc/17/38/24/537173824.db2.gz QLTDKVYQIWNORN-HOTGVXAUSA-N 2 2 366.531 1.857 10 0 FDAELP CC[NH+]1CCN(C(=O)NC[C@@H](c2cccs2)[N@H+]2CCO[C@@H](C)C2)CC1 ZINC000248358176 537173828 /nfs/dbraw/zinc/17/38/28/537173828.db2.gz QLTDKVYQIWNORN-HOTGVXAUSA-N 2 2 366.531 1.857 10 0 FDAELP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248656036 537202194 /nfs/dbraw/zinc/20/21/94/537202194.db2.gz QZADKOROBZZGJC-ZBFHGGJFSA-N 2 2 359.474 1.212 10 0 FDAELP C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248656036 537202197 /nfs/dbraw/zinc/20/21/97/537202197.db2.gz QZADKOROBZZGJC-ZBFHGGJFSA-N 2 2 359.474 1.212 10 0 FDAELP C[C@H](C(=O)NC(=O)NC1CC1)[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248656036 537202198 /nfs/dbraw/zinc/20/21/98/537202198.db2.gz QZADKOROBZZGJC-ZBFHGGJFSA-N 2 2 359.474 1.212 10 0 FDAELP C[C@H](C(=O)NC(=O)NC1CC1)[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248656036 537202201 /nfs/dbraw/zinc/20/22/01/537202201.db2.gz QZADKOROBZZGJC-ZBFHGGJFSA-N 2 2 359.474 1.212 10 0 FDAELP CCOCCNC(=O)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195255249 537381518 /nfs/dbraw/zinc/38/15/18/537381518.db2.gz KVQVJTOCFKWODS-HNNXBMFYSA-N 2 2 354.520 1.358 10 0 FDAELP CCOCCNC(=O)C[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195255249 537381527 /nfs/dbraw/zinc/38/15/27/537381527.db2.gz KVQVJTOCFKWODS-HNNXBMFYSA-N 2 2 354.520 1.358 10 0 FDAELP CCOCCNC(=O)C[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195255249 537381534 /nfs/dbraw/zinc/38/15/34/537381534.db2.gz KVQVJTOCFKWODS-HNNXBMFYSA-N 2 2 354.520 1.358 10 0 FDAELP CCOCCNC(=O)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000195255249 537381539 /nfs/dbraw/zinc/38/15/39/537381539.db2.gz KVQVJTOCFKWODS-HNNXBMFYSA-N 2 2 354.520 1.358 10 0 FDAELP O[C@@H](CN[C@H](c1[nH]cc[nH+]1)c1cccnc1)C[N@H+]1CCc2ccccc2C1 ZINC000194979521 178233227 /nfs/dbraw/zinc/23/32/27/178233227.db2.gz WPIZEFVVLIFZGH-PMACEKPBSA-N 2 2 363.465 1.903 10 0 FDAELP O=C(C[NH+]1CCC(c2cc[nH]n2)CC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000195505872 178268219 /nfs/dbraw/zinc/26/82/19/178268219.db2.gz LTNZFJYFNQOVCC-UHFFFAOYSA-N 2 2 373.526 1.995 10 0 FDAELP [NH3+][C@@H]1CC[C@@H](C(=O)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)C1 ZINC000237935755 178338922 /nfs/dbraw/zinc/33/89/22/178338922.db2.gz YAEBRDRYMIVKIF-GDBMZVCRSA-N 2 2 351.878 1.990 10 0 FDAELP CC(C)CC[N@@H+]1CCNC(=O)[C@H]1CC(=O)N(Cc1[nH+]ccn1C)C(C)C ZINC000042628378 208293581 /nfs/dbraw/zinc/29/35/81/208293581.db2.gz LBKYSVMQJLVVEY-MRXNPFEDSA-N 2 2 363.506 1.394 10 0 FDAELP CC(C)CC[N@H+]1CCNC(=O)[C@H]1CC(=O)N(Cc1[nH+]ccn1C)C(C)C ZINC000042628378 208293586 /nfs/dbraw/zinc/29/35/86/208293586.db2.gz LBKYSVMQJLVVEY-MRXNPFEDSA-N 2 2 363.506 1.394 10 0 FDAELP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)Nc3ccccc3C(N)=O)C2)[nH+]1 ZINC000171650661 258266755 /nfs/dbraw/zinc/26/67/55/258266755.db2.gz RPYLBEYONAELEH-OAHLLOKOSA-N 2 2 367.453 1.861 10 0 FDAELP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)Nc3ccccc3C(N)=O)C2)[nH+]1 ZINC000171650661 258266756 /nfs/dbraw/zinc/26/67/56/258266756.db2.gz RPYLBEYONAELEH-OAHLLOKOSA-N 2 2 367.453 1.861 10 0 FDAELP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171646464 258266760 /nfs/dbraw/zinc/26/67/60/258266760.db2.gz HAVIHXXALNVULC-LSDHHAIUSA-N 2 2 367.453 1.942 10 0 FDAELP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171646464 258266761 /nfs/dbraw/zinc/26/67/61/258266761.db2.gz HAVIHXXALNVULC-LSDHHAIUSA-N 2 2 367.453 1.942 10 0 FDAELP C[C@H](CNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)[NH+]1CCOCC1 ZINC000077793246 172137435 /nfs/dbraw/zinc/13/74/35/172137435.db2.gz AWSZZUWHKLPPRY-IEBWSBKVSA-N 2 2 360.502 1.843 10 0 FDAELP C[C@@H](CNC(=O)NCC1([NH+]2CCSCC2)CCCC1)[NH+]1CCOCC1 ZINC000077793369 172137797 /nfs/dbraw/zinc/13/77/97/172137797.db2.gz KLMJNDLUZPXOMN-INIZCTEOSA-N 2 2 370.563 1.368 10 0 FDAELP C[C@@H](CNC(=O)N(CC[NH+](C)C)Cc1cccs1)[NH+]1CCOCC1 ZINC000084417396 172211711 /nfs/dbraw/zinc/21/17/11/172211711.db2.gz FFCCWDAXZJOWSE-HNNXBMFYSA-N 2 2 354.520 1.542 10 0 FDAELP C[N@@H+]1CCO[C@@H](CNC(=O)Nc2ccccc2C[NH+]2CCSCC2)C1 ZINC000150787373 173381181 /nfs/dbraw/zinc/38/11/81/173381181.db2.gz QTPAXCDRBJOVJA-INIZCTEOSA-N 2 2 364.515 1.688 10 0 FDAELP C[N@H+]1CCO[C@@H](CNC(=O)Nc2ccccc2C[NH+]2CCSCC2)C1 ZINC000150787373 173381182 /nfs/dbraw/zinc/38/11/82/173381182.db2.gz QTPAXCDRBJOVJA-INIZCTEOSA-N 2 2 364.515 1.688 10 0 FDAELP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCC[NH+]2CCc3sccc3C2)C[C@H]1C ZINC000180756995 258374842 /nfs/dbraw/zinc/37/48/42/258374842.db2.gz QPBURPUCCXUQBD-HUUCEWRRSA-N 2 2 366.531 1.203 10 0 FDAELP C[C@@H](O)C[N@H+]1CCN(C(=O)NCC[NH+]2CCc3sccc3C2)C[C@H]1C ZINC000180756995 258374843 /nfs/dbraw/zinc/37/48/43/258374843.db2.gz QPBURPUCCXUQBD-HUUCEWRRSA-N 2 2 366.531 1.203 10 0 FDAELP C[C@@H](O)C[NH+]1CCN(C(=O)NCC[N@@H+]2CCc3sccc3C2)C[C@H]1C ZINC000180756995 258374844 /nfs/dbraw/zinc/37/48/44/258374844.db2.gz QPBURPUCCXUQBD-HUUCEWRRSA-N 2 2 366.531 1.203 10 0 FDAELP C[C@@H](O)C[NH+]1CCN(C(=O)NCC[N@H+]2CCc3sccc3C2)C[C@H]1C ZINC000180756995 258374845 /nfs/dbraw/zinc/37/48/45/258374845.db2.gz QPBURPUCCXUQBD-HUUCEWRRSA-N 2 2 366.531 1.203 10 0 FDAELP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173791180 258310988 /nfs/dbraw/zinc/31/09/88/258310988.db2.gz OOORFLQACKAALJ-HXUWFJFHSA-N 2 2 372.513 1.899 10 0 FDAELP O=C(NCC[N@@H+]1CCc2sccc2C1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173790452 258311280 /nfs/dbraw/zinc/31/12/80/258311280.db2.gz SXZMOMJZCIUPCV-MRXNPFEDSA-N 2 2 364.515 1.222 10 0 FDAELP O=C(NCC[N@H+]1CCc2sccc2C1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173790452 258311281 /nfs/dbraw/zinc/31/12/81/258311281.db2.gz SXZMOMJZCIUPCV-MRXNPFEDSA-N 2 2 364.515 1.222 10 0 FDAELP O=C(NCCn1cc[nH+]c1)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000174018993 258317343 /nfs/dbraw/zinc/31/73/43/258317343.db2.gz NJARSMDSIMYQNG-IBGZPJMESA-N 2 2 371.485 1.628 10 0 FDAELP O=C(NCCn1cc[nH+]c1)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000174018980 258317521 /nfs/dbraw/zinc/31/75/21/258317521.db2.gz NJARSMDSIMYQNG-LJQANCHMSA-N 2 2 371.485 1.628 10 0 FDAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)C(=O)NCc2cccs2)nc[nH+]1 ZINC000174285422 258322793 /nfs/dbraw/zinc/32/27/93/258322793.db2.gz RHVHTDNIEAKHJY-ZIAGYGMSSA-N 2 2 374.514 1.843 10 0 FDAELP COc1cc2[nH+]c(NC[C@H](c3cnn(C)c3)[NH+](C)C)nc(N)c2cc1OC ZINC000301298705 259025183 /nfs/dbraw/zinc/02/51/83/259025183.db2.gz SYYKBKKSBRKUAY-CQSZACIVSA-N 2 2 371.445 1.678 10 0 FDAELP C[C@H](C[NH+]1CCC[C@@H](c2nnc[nH]2)C1)C[N@@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000333059783 259303250 /nfs/dbraw/zinc/30/32/50/259303250.db2.gz MUWXUXALSOHCDG-PHZGNYQRSA-N 2 2 358.494 1.618 10 0 FDAELP C[C@H](C[NH+]1CCC[C@@H](c2nnc[nH]2)C1)C[N@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000333059783 259303253 /nfs/dbraw/zinc/30/32/53/259303253.db2.gz MUWXUXALSOHCDG-PHZGNYQRSA-N 2 2 358.494 1.618 10 0 FDAELP C[C@@H](C[NH+]1CCC[C@H](c2nnc[nH]2)C1)C[N@@H+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000333059783 259303254 /nfs/dbraw/zinc/30/32/54/259303254.db2.gz MUWXUXALSOHCDG-PHZGNYQRSA-N 2 2 358.494 1.618 10 0 FDAELP C[C@@H](C[NH+]1CCC[C@H](c2nnc[nH]2)C1)C[N@H+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000333059783 259303255 /nfs/dbraw/zinc/30/32/55/259303255.db2.gz MUWXUXALSOHCDG-PHZGNYQRSA-N 2 2 358.494 1.618 10 0 FDAELP C[C@@H](CNC(=O)NC1CC[NH+](CC2CCCC2)CC1)[NH+]1CCOCC1 ZINC000063407721 522589340 /nfs/dbraw/zinc/58/93/40/522589340.db2.gz BKSHAMPNPNSCRQ-INIZCTEOSA-N 2 2 352.523 1.661 10 0 FDAELP CC[N@@H+]1CCC[C@H](NC(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)C1 ZINC000052593484 523213826 /nfs/dbraw/zinc/21/38/26/523213826.db2.gz WRLBSLWSIKDINY-KRWDZBQOSA-N 2 2 370.501 1.646 10 0 FDAELP CC[N@H+]1CCC[C@H](NC(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)C1 ZINC000052593484 523213837 /nfs/dbraw/zinc/21/38/37/523213837.db2.gz WRLBSLWSIKDINY-KRWDZBQOSA-N 2 2 370.501 1.646 10 0 FDAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](Cc3c[nH]nc3C(C)(C)C)CC2)C1 ZINC000121058848 524140083 /nfs/dbraw/zinc/14/00/83/524140083.db2.gz GIMKBTNBVXCXFW-GOSISDBHSA-N 2 2 363.550 1.934 10 0 FDAELP CC[C@H]1CN(c2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CC[N@@H+]1CCOC ZINC000174737531 524718224 /nfs/dbraw/zinc/71/82/24/524718224.db2.gz DJWBBTWBFLOQEZ-IRXDYDNUSA-N 2 2 363.506 1.232 10 0 FDAELP CC[C@H]1CN(c2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CC[N@H+]1CCOC ZINC000174737531 524718232 /nfs/dbraw/zinc/71/82/32/524718232.db2.gz DJWBBTWBFLOQEZ-IRXDYDNUSA-N 2 2 363.506 1.232 10 0 FDAELP C[C@@H]1C[NH+](CCCCNc2cc(N3CCC[C@@H]3CO)[nH+]cn2)C[C@@H](C)O1 ZINC000151974236 524744370 /nfs/dbraw/zinc/74/43/70/524744370.db2.gz AMAAWVAHPDHFOZ-BRWVUGGUSA-N 2 2 363.506 1.739 10 0 FDAELP C[C@@H]1C[NH+](CCCCNc2cc(N3CCC[C@@H]3CO)nc[nH+]2)C[C@@H](C)O1 ZINC000151974236 524744376 /nfs/dbraw/zinc/74/43/76/524744376.db2.gz AMAAWVAHPDHFOZ-BRWVUGGUSA-N 2 2 363.506 1.739 10 0 FDAELP CC[NH+]1CCN(C(=O)NC[C@H](c2cccs2)[N@@H+]2CCO[C@H](C)C2)CC1 ZINC000175026987 524843173 /nfs/dbraw/zinc/84/31/73/524843173.db2.gz QLTDKVYQIWNORN-HZPDHXFCSA-N 2 2 366.531 1.857 10 0 FDAELP CC[NH+]1CCN(C(=O)NC[C@H](c2cccs2)[N@H+]2CCO[C@H](C)C2)CC1 ZINC000175026987 524843185 /nfs/dbraw/zinc/84/31/85/524843185.db2.gz QLTDKVYQIWNORN-HZPDHXFCSA-N 2 2 366.531 1.857 10 0 FDAELP C[C@@H]1C[N@H+]([C@@H](CNC(=O)N2CC[C@H]([NH+](C)C)C2)c2cccs2)CCO1 ZINC000175055059 524854089 /nfs/dbraw/zinc/85/40/89/524854089.db2.gz ZDCKTUOHTGRBIE-PMPSAXMXSA-N 2 2 366.531 1.855 10 0 FDAELP O=C(NCCCn1cc[nH+]c1)[C@H]1CCC[C@@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000152985420 525067803 /nfs/dbraw/zinc/06/78/03/525067803.db2.gz SZAYNZBCGBNLEO-IRXDYDNUSA-N 2 2 372.473 1.209 10 0 FDAELP Cc1nc(C[NH+]2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)sc1C ZINC000176359480 525087986 /nfs/dbraw/zinc/08/79/86/525087986.db2.gz OWBPMDNIEPHYCP-QGZVFWFLSA-N 2 2 352.548 1.987 10 0 FDAELP Cc1nc(C[NH+]2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)sc1C ZINC000176359480 525087998 /nfs/dbraw/zinc/08/79/98/525087998.db2.gz OWBPMDNIEPHYCP-QGZVFWFLSA-N 2 2 352.548 1.987 10 0 FDAELP Cc1ncc(C[NH+]2CCN(C(=O)N[C@H]3CC[C@@H]([NH+](C)C)C3)CC2)s1 ZINC000129565903 525669347 /nfs/dbraw/zinc/66/93/47/525669347.db2.gz UUNNPIWSMUMVKM-LSDHHAIUSA-N 2 2 351.520 1.761 10 0 FDAELP C[NH+](C)[C@H]1CCN(C(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)C1 ZINC000170864530 525744914 /nfs/dbraw/zinc/74/49/14/525744914.db2.gz JOACWGAFEAZGFJ-KRWDZBQOSA-N 2 2 355.442 1.688 10 0 FDAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C(=O)N(C)C)c2ccccc2)nc[nH+]1 ZINC000170958395 525787591 /nfs/dbraw/zinc/78/75/91/525787591.db2.gz VDMJSGUNWLKWHM-LPHOPBHVSA-N 2 2 368.485 1.906 10 0 FDAELP Cn1cc(C[N@@H+]2CCCN(C(=O)[C@H](Cc3ccccc3)[NH+](C)C)CC2)cn1 ZINC000106918354 525826155 /nfs/dbraw/zinc/82/61/55/525826155.db2.gz MTUNJLNEKIXOTK-FQEVSTJZSA-N 2 2 369.513 1.627 10 0 FDAELP Cn1cc(C[N@H+]2CCCN(C(=O)[C@H](Cc3ccccc3)[NH+](C)C)CC2)cn1 ZINC000106918354 525826162 /nfs/dbraw/zinc/82/61/62/525826162.db2.gz MTUNJLNEKIXOTK-FQEVSTJZSA-N 2 2 369.513 1.627 10 0 FDAELP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000183397591 535973799 /nfs/dbraw/zinc/97/37/99/535973799.db2.gz FSKSVDKGWHHZED-FPOVZHCZSA-N 2 2 361.530 1.805 10 0 FDAELP CC[C@H](O)C[NH+]1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)CC1 ZINC000184922839 536191694 /nfs/dbraw/zinc/19/16/94/536191694.db2.gz KJLFXXACSRXMRN-KRWDZBQOSA-N 2 2 372.473 1.174 10 0 FDAELP C[N@H+](C[C@H](O)COC(C)(C)C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188301471 536289107 /nfs/dbraw/zinc/28/91/07/536289107.db2.gz KICBAPFXFUSRFF-AZUAARDMSA-N 2 2 350.503 1.731 10 0 FDAELP C[N@@H+](C[C@H](O)COC(C)(C)C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188301471 536289108 /nfs/dbraw/zinc/28/91/08/536289108.db2.gz KICBAPFXFUSRFF-AZUAARDMSA-N 2 2 350.503 1.731 10 0 FDAELP C[NH+](C[C@H](O)COC(C)(C)C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188301471 536289109 /nfs/dbraw/zinc/28/91/09/536289109.db2.gz KICBAPFXFUSRFF-AZUAARDMSA-N 2 2 350.503 1.731 10 0 FDAELP C[NH+](C[C@H](O)COC(C)(C)C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188301471 536289110 /nfs/dbraw/zinc/28/91/10/536289110.db2.gz KICBAPFXFUSRFF-AZUAARDMSA-N 2 2 350.503 1.731 10 0 FDAELP O=C(C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000246898429 537047746 /nfs/dbraw/zinc/04/77/46/537047746.db2.gz MGDXDPMKCTYGHF-FXAWDEMLSA-N 2 2 361.486 1.551 10 0 FDAELP O=C(C[N@H+]1CC[C@]2(O)CCCC[C@H]2C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000246898429 537047750 /nfs/dbraw/zinc/04/77/50/537047750.db2.gz MGDXDPMKCTYGHF-FXAWDEMLSA-N 2 2 361.486 1.551 10 0 FDAELP C[C@@H]1C[N@H+]([C@H](CNC(=O)NC[C@@H]2CCC[NH+]2C)c2cccs2)CCO1 ZINC000247179261 537090493 /nfs/dbraw/zinc/09/04/93/537090493.db2.gz ZRLRHTLAGTZNDH-OWCLPIDISA-N 2 2 366.531 1.903 10 0 FDAELP C[C@@H]1C[NH+]([C@H](CNC(=O)NC[C@@H]2CCC[N@@H+]2C)c2cccs2)CCO1 ZINC000247179261 537090495 /nfs/dbraw/zinc/09/04/95/537090495.db2.gz ZRLRHTLAGTZNDH-OWCLPIDISA-N 2 2 366.531 1.903 10 0 FDAELP C[C@@H]1C[NH+]([C@H](CNC(=O)NC[C@@H]2CCC[N@H+]2C)c2cccs2)CCO1 ZINC000247179261 537090500 /nfs/dbraw/zinc/09/05/00/537090500.db2.gz ZRLRHTLAGTZNDH-OWCLPIDISA-N 2 2 366.531 1.903 10 0 FDAELP CCN(CCC[NH+](C)C)C(=O)NC[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000189811410 537100011 /nfs/dbraw/zinc/10/00/11/537100011.db2.gz UVORQRRTEFJPRM-HNNXBMFYSA-N 2 2 363.510 1.470 10 0 FDAELP CCN(CCC[NH+](C)C)C(=O)NC[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000189811410 537100015 /nfs/dbraw/zinc/10/00/15/537100015.db2.gz UVORQRRTEFJPRM-HNNXBMFYSA-N 2 2 363.510 1.470 10 0 FDAELP CC(C)[C@@H](C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000247249453 537101463 /nfs/dbraw/zinc/10/14/63/537101463.db2.gz YTEQBHSXPJUQQY-JKEDJMADSA-N 2 2 367.534 1.299 10 0 FDAELP COCC[N@@H+]1CCN(C(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)C[C@@H]1C ZINC000247301397 537104953 /nfs/dbraw/zinc/10/49/53/537104953.db2.gz VGABUHGPGJAOPG-PKOBYXMFSA-N 2 2 361.486 1.067 10 0 FDAELP COCC[N@H+]1CCN(C(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)C[C@@H]1C ZINC000247301397 537104955 /nfs/dbraw/zinc/10/49/55/537104955.db2.gz VGABUHGPGJAOPG-PKOBYXMFSA-N 2 2 361.486 1.067 10 0 FDAELP COCC[NH+]1CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)C[C@@H]1C ZINC000247301397 537104957 /nfs/dbraw/zinc/10/49/57/537104957.db2.gz VGABUHGPGJAOPG-PKOBYXMFSA-N 2 2 361.486 1.067 10 0 FDAELP COCC[NH+]1CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C[C@@H]1C ZINC000247301397 537104960 /nfs/dbraw/zinc/10/49/60/537104960.db2.gz VGABUHGPGJAOPG-PKOBYXMFSA-N 2 2 361.486 1.067 10 0 FDAELP CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000247608063 537140891 /nfs/dbraw/zinc/14/08/91/537140891.db2.gz LYGALYPJALRVKR-FHWLQOOXSA-N 2 2 368.566 1.407 10 0 FDAELP CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000247608063 537140894 /nfs/dbraw/zinc/14/08/94/537140894.db2.gz LYGALYPJALRVKR-FHWLQOOXSA-N 2 2 368.566 1.407 10 0 FDAELP CCN(C(=O)NC[C@H]1C[NH+](C)CCO1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000249298745 537232835 /nfs/dbraw/zinc/23/28/35/537232835.db2.gz NOLFWAPMYSDSFP-OALUTQOASA-N 2 2 360.502 1.623 10 0 FDAELP CCN(C(=O)NC[C@H]1C[NH+](C)CCO1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000249298745 537232836 /nfs/dbraw/zinc/23/28/36/537232836.db2.gz NOLFWAPMYSDSFP-OALUTQOASA-N 2 2 360.502 1.623 10 0 FDAELP CCN(C(=O)NC[C@H]1C[N@H+](C)CCO1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000249298745 537232837 /nfs/dbraw/zinc/23/28/37/537232837.db2.gz NOLFWAPMYSDSFP-OALUTQOASA-N 2 2 360.502 1.623 10 0 FDAELP CCN(C(=O)NC[C@H]1C[N@@H+](C)CCO1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000249298745 537232838 /nfs/dbraw/zinc/23/28/38/537232838.db2.gz NOLFWAPMYSDSFP-OALUTQOASA-N 2 2 360.502 1.623 10 0 FDAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@H](O)COC[C@@H]2CCCO2)C1 ZINC000195294188 537391723 /nfs/dbraw/zinc/39/17/23/537391723.db2.gz XKTJWOHZAUUCTR-UFYCRDLUSA-N 2 2 363.502 1.392 10 0 FDAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@H](O)COC[C@@H]2CCCO2)C1 ZINC000195294188 537391729 /nfs/dbraw/zinc/39/17/29/537391729.db2.gz XKTJWOHZAUUCTR-UFYCRDLUSA-N 2 2 363.502 1.392 10 0 FDAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](C[C@H](O)COC[C@@H]2CCCO2)C1 ZINC000195294188 537391734 /nfs/dbraw/zinc/39/17/34/537391734.db2.gz XKTJWOHZAUUCTR-UFYCRDLUSA-N 2 2 363.502 1.392 10 0 FDAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](C[C@H](O)COC[C@@H]2CCCO2)C1 ZINC000195294188 537391741 /nfs/dbraw/zinc/39/17/41/537391741.db2.gz XKTJWOHZAUUCTR-UFYCRDLUSA-N 2 2 363.502 1.392 10 0 FDAELP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[N@H+](C)C[C@@]2(C)CC[NH2+]C2)cc[nH+]1 ZINC000261998167 672708849 /nfs/dbraw/zinc/70/88/49/672708849.db2.gz LANOBRCCJLLOHX-MPGHIAIKSA-N 3 2 350.486 1.391 10 0 FDAELP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[N@@H+](C)C[C@@]2(C)CC[NH2+]C2)cc[nH+]1 ZINC000261998167 672708851 /nfs/dbraw/zinc/70/88/51/672708851.db2.gz LANOBRCCJLLOHX-MPGHIAIKSA-N 3 2 350.486 1.391 10 0 FDAELP O=C(CN1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1)Nc1ccc(Cl)cc1 ZINC000262035755 672715811 /nfs/dbraw/zinc/71/58/11/672715811.db2.gz XRIDPTAZRMIWPQ-HNNXBMFYSA-N 2 2 350.894 1.896 10 0 FDAELP C[C@]([NH3+])(C(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1)c1ccccc1 ZINC000192530051 178118252 /nfs/dbraw/zinc/11/82/52/178118252.db2.gz DHFJMLYWYZUHBE-TZIWHRDSSA-N 2 2 353.466 1.738 10 0 FDAELP C[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000093204630 172314647 /nfs/dbraw/zinc/31/46/47/172314647.db2.gz VHNQEIJOWQTRSN-JKSUJKDBSA-N 2 2 371.403 1.587 10 0 FDAELP C[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000093204630 172314648 /nfs/dbraw/zinc/31/46/48/172314648.db2.gz VHNQEIJOWQTRSN-JKSUJKDBSA-N 2 2 371.403 1.587 10 0 FDAELP C[C@@H](CNC(=O)NC[C@H]1C[N@H+](C)CCO1)[NH+]1CCc2sccc2C1 ZINC000104782071 172385075 /nfs/dbraw/zinc/38/50/75/172385075.db2.gz UZMLFHQPQBWKSR-ZFWWWQNUSA-N 2 2 352.504 1.125 10 0 FDAELP C[C@@H](CNC(=O)NC[C@H]1C[N@@H+](C)CCO1)[NH+]1CCc2sccc2C1 ZINC000104782071 172385076 /nfs/dbraw/zinc/38/50/76/172385076.db2.gz UZMLFHQPQBWKSR-ZFWWWQNUSA-N 2 2 352.504 1.125 10 0 FDAELP C[C@@H](CNC(=O)NC[C@H]1C[NH+](C)CCO1)[N@@H+]1CCc2sccc2C1 ZINC000104782071 172385077 /nfs/dbraw/zinc/38/50/77/172385077.db2.gz UZMLFHQPQBWKSR-ZFWWWQNUSA-N 2 2 352.504 1.125 10 0 FDAELP C[C@@H](CNC(=O)NC[C@H]1C[NH+](C)CCO1)[N@H+]1CCc2sccc2C1 ZINC000104782071 172385079 /nfs/dbraw/zinc/38/50/79/172385079.db2.gz UZMLFHQPQBWKSR-ZFWWWQNUSA-N 2 2 352.504 1.125 10 0 FDAELP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000151341012 173398101 /nfs/dbraw/zinc/39/81/01/173398101.db2.gz DSKRAXWYWOXGHL-HOCLYGCPSA-N 2 2 355.504 1.092 10 0 FDAELP C[C@H]1CN(C(=O)NCc2ccccc2-n2cc[nH+]c2)C[C@H]1[NH+]1CCOCC1 ZINC000175715129 174022142 /nfs/dbraw/zinc/02/21/42/174022142.db2.gz ATNVCLOBPKZJAI-QFBILLFUSA-N 2 2 369.469 1.734 10 0 FDAELP Cc1ccc([C@H](CNC(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)[NH+](C)C)cc1 ZINC000175723204 174023332 /nfs/dbraw/zinc/02/33/32/174023332.db2.gz QKVOAZRAWKDPNX-YSIASYRMSA-N 2 2 374.529 1.960 10 0 FDAELP C[C@@H]([NH2+]CC(=O)NCC(=O)N1CCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180653190 258372597 /nfs/dbraw/zinc/37/25/97/258372597.db2.gz IDXAMDQBAXZXSD-OAHLLOKOSA-N 2 2 355.442 1.262 10 0 FDAELP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000173785492 258311140 /nfs/dbraw/zinc/31/11/40/258311140.db2.gz ASXFXDNBCWSEBF-QRVBRYPASA-N 2 2 366.550 1.861 10 0 FDAELP CCOC(=O)c1cnn(C)c1NC(=O)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178331383 258328859 /nfs/dbraw/zinc/32/88/59/258328859.db2.gz DWMPZMPAFPNNOH-AWEZNQCLSA-N 2 2 374.445 1.205 10 0 FDAELP CCOC(=O)c1cnn(C)c1NC(=O)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178331383 258328860 /nfs/dbraw/zinc/32/88/60/258328860.db2.gz DWMPZMPAFPNNOH-AWEZNQCLSA-N 2 2 374.445 1.205 10 0 FDAELP CC(C)N1CCC[C@H]([NH+]2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)C1=O ZINC000248366393 258399562 /nfs/dbraw/zinc/39/95/62/258399562.db2.gz SAONRVGMDFKKKI-OALUTQOASA-N 2 2 366.550 1.113 10 0 FDAELP CC(C)N1CCC[C@H]([NH+]2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)C1=O ZINC000248366393 258399563 /nfs/dbraw/zinc/39/95/63/258399563.db2.gz SAONRVGMDFKKKI-OALUTQOASA-N 2 2 366.550 1.113 10 0 FDAELP CC[C@@H]1C[C@H](C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)CC(=O)N1 ZINC000329668359 259106513 /nfs/dbraw/zinc/10/65/13/259106513.db2.gz LTUZFILHBYTZKO-HRCADAONSA-N 2 2 350.507 1.758 10 0 FDAELP C[N@@H+]1CCO[C@H](CNC(=O)Nc2ccc3c(c2)CN(CC(N)=O)CC3)C1 ZINC000333468242 259351177 /nfs/dbraw/zinc/35/11/77/259351177.db2.gz QQMRHJFGGJAHEI-MRXNPFEDSA-N 2 2 361.446 1.032 10 0 FDAELP C[N@H+]1CCO[C@H](CNC(=O)Nc2ccc3c(c2)CN(CC(N)=O)CC3)C1 ZINC000333468242 259351178 /nfs/dbraw/zinc/35/11/78/259351178.db2.gz QQMRHJFGGJAHEI-MRXNPFEDSA-N 2 2 361.446 1.032 10 0 FDAELP C[N@@H+]1CCO[C@H](CNC(=O)Nc2ccc3c(c2)C[NH+](CC(N)=O)CC3)C1 ZINC000333468242 259351179 /nfs/dbraw/zinc/35/11/79/259351179.db2.gz QQMRHJFGGJAHEI-MRXNPFEDSA-N 2 2 361.446 1.032 10 0 FDAELP C[N@H+]1CCO[C@H](CNC(=O)Nc2ccc3c(c2)C[NH+](CC(N)=O)CC3)C1 ZINC000333468242 259351180 /nfs/dbraw/zinc/35/11/80/259351180.db2.gz QQMRHJFGGJAHEI-MRXNPFEDSA-N 2 2 361.446 1.032 10 0 FDAELP C[NH+]1CCO[C@H](CNC(=O)Nc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)C1 ZINC000333468242 259351181 /nfs/dbraw/zinc/35/11/81/259351181.db2.gz QQMRHJFGGJAHEI-MRXNPFEDSA-N 2 2 361.446 1.032 10 0 FDAELP C[NH+]1CCO[C@H](CNC(=O)Nc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)C1 ZINC000333468242 259351182 /nfs/dbraw/zinc/35/11/82/259351182.db2.gz QQMRHJFGGJAHEI-MRXNPFEDSA-N 2 2 361.446 1.032 10 0 FDAELP COC(=O)C1CCN(C(=O)[C@H](C)[NH+]2CCC([NH+]3CCCC3)CC2)CC1 ZINC000066533094 523098501 /nfs/dbraw/zinc/09/85/01/523098501.db2.gz DIQVDCAAOUZEDA-HNNXBMFYSA-N 2 2 351.491 1.347 10 0 FDAELP CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC000052594770 523212208 /nfs/dbraw/zinc/21/22/08/523212208.db2.gz CKFLHKMDCQUUKP-SFHVURJKSA-N 2 2 360.502 1.877 10 0 FDAELP CC[N@H+]1CCC[C@H](NC(=O)N2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC000052594770 523212222 /nfs/dbraw/zinc/21/22/22/523212222.db2.gz CKFLHKMDCQUUKP-SFHVURJKSA-N 2 2 360.502 1.877 10 0 FDAELP CCc1nnc(C[NH+]2CCC(C(=O)NCCC[NH+](CC)CC)CC2)n1C ZINC000172431815 524220307 /nfs/dbraw/zinc/22/03/07/524220307.db2.gz XHWUSPKEGKNCLX-UHFFFAOYSA-N 2 2 364.538 1.438 10 0 FDAELP C[NH+]1CCN(Cc2cccc(C(=O)N3CC[N@H+]4CCCC[C@@H]4C3)c2)CC1 ZINC000174343760 524544335 /nfs/dbraw/zinc/54/43/35/524544335.db2.gz LVMGVPLRUAIOLS-HXUWFJFHSA-N 2 2 356.514 1.744 10 0 FDAELP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000174378207 524558316 /nfs/dbraw/zinc/55/83/16/524558316.db2.gz ZIBXSOPPKQYBDL-WMZOPIPTSA-N 2 2 361.486 1.255 10 0 FDAELP CCN(C[C@H]1COc2ccccc2O1)C(=O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113514628 524690903 /nfs/dbraw/zinc/69/09/03/524690903.db2.gz YTVYLVVLILNNSN-SJORKVTESA-N 2 2 361.486 1.558 10 0 FDAELP CCN(C[C@H]1COc2ccccc2O1)C(=O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113514628 524690912 /nfs/dbraw/zinc/69/09/12/524690912.db2.gz YTVYLVVLILNNSN-SJORKVTESA-N 2 2 361.486 1.558 10 0 FDAELP Cc1c([C@H]2CCC[N@@H+]2Cc2cnc(N3CC[NH+](C)CC3)nc2)cnn1C ZINC000091967551 524821139 /nfs/dbraw/zinc/82/11/39/524821139.db2.gz PBCOLZLKSZCFMU-GOSISDBHSA-N 2 2 355.490 1.607 10 0 FDAELP Cc1c([C@H]2CCC[N@H+]2Cc2cnc(N3CC[NH+](C)CC3)nc2)cnn1C ZINC000091967551 524821149 /nfs/dbraw/zinc/82/11/49/524821149.db2.gz PBCOLZLKSZCFMU-GOSISDBHSA-N 2 2 355.490 1.607 10 0 FDAELP C[C@@H](CNC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCOCC1 ZINC000175003943 524829991 /nfs/dbraw/zinc/82/99/91/524829991.db2.gz VSOLERXALUVGFZ-ICSRJNTNSA-N 2 2 374.529 1.871 10 0 FDAELP C[C@@H](CNC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCOCC1 ZINC000175003943 524830002 /nfs/dbraw/zinc/83/00/02/524830002.db2.gz VSOLERXALUVGFZ-ICSRJNTNSA-N 2 2 374.529 1.871 10 0 FDAELP CCC[C@@H](C(=O)OCC)[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000114802862 524880891 /nfs/dbraw/zinc/88/08/91/524880891.db2.gz IVQTUAGKHIUSCL-ROUUACIJSA-N 2 2 355.523 1.445 10 0 FDAELP CCC[C@@H](C(=O)OCC)[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000114802862 524880903 /nfs/dbraw/zinc/88/09/03/524880903.db2.gz IVQTUAGKHIUSCL-ROUUACIJSA-N 2 2 355.523 1.445 10 0 FDAELP COCC[N@@H+]1CCN(C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)C[C@H]1C ZINC000117288511 525303630 /nfs/dbraw/zinc/30/36/30/525303630.db2.gz PUARVTFRRMHSOE-UYAOXDASSA-N 2 2 374.529 1.154 10 0 FDAELP COCC[N@H+]1CCN(C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)C[C@H]1C ZINC000117288511 525303635 /nfs/dbraw/zinc/30/36/35/525303635.db2.gz PUARVTFRRMHSOE-UYAOXDASSA-N 2 2 374.529 1.154 10 0 FDAELP COCC[N@@H+]1CCN(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C[C@@H]1C ZINC000117498256 525352036 /nfs/dbraw/zinc/35/20/36/525352036.db2.gz XVLABELXIXPQSP-HNNXBMFYSA-N 2 2 366.481 1.749 10 0 FDAELP COCC[N@H+]1CCN(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C[C@@H]1C ZINC000117498256 525352047 /nfs/dbraw/zinc/35/20/47/525352047.db2.gz XVLABELXIXPQSP-HNNXBMFYSA-N 2 2 366.481 1.749 10 0 FDAELP Cc1noc(Cl)c1CC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000154301496 525486428 /nfs/dbraw/zinc/48/64/28/525486428.db2.gz ISFSZWAKNKKULI-YIONKMFJSA-N 2 2 366.893 1.948 10 0 FDAELP Cc1noc(Cl)c1CC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000154301496 525486438 /nfs/dbraw/zinc/48/64/38/525486438.db2.gz ISFSZWAKNKKULI-YIONKMFJSA-N 2 2 366.893 1.948 10 0 FDAELP C[NH+]1CCC([NH+]2CCC(NC(=O)NC[C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000154331984 525498982 /nfs/dbraw/zinc/49/89/82/525498982.db2.gz VGBARMGOLLBYCI-YJBOKZPZSA-N 2 2 352.523 1.395 10 0 FDAELP CCCCCNC(=O)[C@H](C)[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000106121909 525615792 /nfs/dbraw/zinc/61/57/92/525615792.db2.gz CSYXYKJWZJKYIV-OALUTQOASA-N 2 2 368.566 1.408 10 0 FDAELP CCCCCNC(=O)[C@H](C)[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000106121909 525615799 /nfs/dbraw/zinc/61/57/99/525615799.db2.gz CSYXYKJWZJKYIV-OALUTQOASA-N 2 2 368.566 1.408 10 0 FDAELP CCCCCNC(=O)C[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000155104909 525746310 /nfs/dbraw/zinc/74/63/10/525746310.db2.gz IXBFKYZBTNARDO-GOSISDBHSA-N 2 2 354.539 1.020 10 0 FDAELP CCCCCNC(=O)C[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000155104909 525746317 /nfs/dbraw/zinc/74/63/17/525746317.db2.gz IXBFKYZBTNARDO-GOSISDBHSA-N 2 2 354.539 1.020 10 0 FDAELP C[N@@H+]1CCO[C@@H](CNC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000170923396 525769319 /nfs/dbraw/zinc/76/93/19/525769319.db2.gz YNMYIPNLSDQYRK-IBGZPJMESA-N 2 2 360.502 1.528 10 0 FDAELP C[N@H+]1CCO[C@@H](CNC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000170923396 525769328 /nfs/dbraw/zinc/76/93/28/525769328.db2.gz YNMYIPNLSDQYRK-IBGZPJMESA-N 2 2 360.502 1.528 10 0 FDAELP OC[C@H]([NH2+]CC1(C[NH2+][C@H](CO)c2ccccc2)COC1)c1ccccc1 ZINC000182422216 526168704 /nfs/dbraw/zinc/16/87/04/526168704.db2.gz MAJHFAZXOYROBP-BGYRXZFFSA-N 2 2 356.466 1.649 10 0 FDAELP CN(C)c1cc[nH+]cc1C(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000183562782 536003589 /nfs/dbraw/zinc/00/35/89/536003589.db2.gz OYGGEQODOHYQAL-IBGZPJMESA-N 2 2 354.454 1.639 10 0 FDAELP CN(C)c1cc[nH+]cc1C(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000183562801 536003712 /nfs/dbraw/zinc/00/37/12/536003712.db2.gz OYGGEQODOHYQAL-LJQANCHMSA-N 2 2 354.454 1.639 10 0 FDAELP C[C@H](CNC(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1)[NH+]1CCOCC1 ZINC000187333690 536262350 /nfs/dbraw/zinc/26/23/50/536262350.db2.gz RAWOOUCEFZFPBM-YLJYHZDGSA-N 2 2 374.529 1.917 10 0 FDAELP C[C@H](CNC(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)[NH+]1CCOCC1 ZINC000187333690 536262351 /nfs/dbraw/zinc/26/23/51/536262351.db2.gz RAWOOUCEFZFPBM-YLJYHZDGSA-N 2 2 374.529 1.917 10 0 FDAELP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000246388513 536942140 /nfs/dbraw/zinc/94/21/40/536942140.db2.gz KJTGYVILCOKCDE-WMLDXEAASA-N 2 2 355.442 1.656 10 0 FDAELP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000246388513 536942145 /nfs/dbraw/zinc/94/21/45/536942145.db2.gz KJTGYVILCOKCDE-WMLDXEAASA-N 2 2 355.442 1.656 10 0 FDAELP O=C(N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246684405 537003160 /nfs/dbraw/zinc/00/31/60/537003160.db2.gz VTIUWRWNUWZGJS-PMACEKPBSA-N 2 2 372.513 1.420 10 0 FDAELP O=C(N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000246684405 537003162 /nfs/dbraw/zinc/00/31/62/537003162.db2.gz VTIUWRWNUWZGJS-PMACEKPBSA-N 2 2 372.513 1.420 10 0 FDAELP CC(C)[C@@H](C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000246819630 537033812 /nfs/dbraw/zinc/03/38/12/537033812.db2.gz CDUZIFUOEJMOGA-TVFCKZIOSA-N 2 2 353.507 1.053 10 0 FDAELP C[C@@H]1CN([C@H](CNC(=O)NCCn2cc[nH+]c2)c2cccs2)CCO1 ZINC000246995063 537065824 /nfs/dbraw/zinc/06/58/24/537065824.db2.gz QUUIXVKBOJVFDS-HUUCEWRRSA-N 2 2 363.487 1.706 10 0 FDAELP C[C@@H]1C[N@@H+]([C@H](CNC(=O)NCCn2cc[nH+]c2)c2cccs2)CCO1 ZINC000246995063 537065825 /nfs/dbraw/zinc/06/58/25/537065825.db2.gz QUUIXVKBOJVFDS-HUUCEWRRSA-N 2 2 363.487 1.706 10 0 FDAELP C[C@@H]1C[N@H+]([C@H](CNC(=O)NCCn2cc[nH+]c2)c2cccs2)CCO1 ZINC000246995063 537065826 /nfs/dbraw/zinc/06/58/26/537065826.db2.gz QUUIXVKBOJVFDS-HUUCEWRRSA-N 2 2 363.487 1.706 10 0 FDAELP C[C@H](C(=O)N1CC[N@@H+]2CCC[C@H]2C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000247656292 537143284 /nfs/dbraw/zinc/14/32/84/537143284.db2.gz YOAGSOOCBCWSPY-APWZRJJASA-N 2 2 360.477 1.643 10 0 FDAELP C[C@H](C(=O)N1CC[N@H+]2CCC[C@H]2C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000247656292 537143290 /nfs/dbraw/zinc/14/32/90/537143290.db2.gz YOAGSOOCBCWSPY-APWZRJJASA-N 2 2 360.477 1.643 10 0 FDAELP CC[C@@H]1CN(c2cc(N3CCCC[C@H]3CO)[nH+]cn2)CC[N@@H+]1CCOC ZINC000248492886 537187732 /nfs/dbraw/zinc/18/77/32/537187732.db2.gz OVLGHJAVMRBOCI-SJORKVTESA-N 2 2 363.506 1.375 10 0 FDAELP CC[C@@H]1CN(c2cc(N3CCCC[C@H]3CO)[nH+]cn2)CC[N@H+]1CCOC ZINC000248492886 537187734 /nfs/dbraw/zinc/18/77/34/537187734.db2.gz OVLGHJAVMRBOCI-SJORKVTESA-N 2 2 363.506 1.375 10 0 FDAELP CC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000249685600 537240245 /nfs/dbraw/zinc/24/02/45/537240245.db2.gz NSNCLZSFWUCBIS-AHRSYUTCSA-N 2 2 372.513 1.366 10 0 FDAELP CC(=O)N[C@@H]1CCC[N@H+]([C@H](C)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000249685600 537240247 /nfs/dbraw/zinc/24/02/47/537240247.db2.gz NSNCLZSFWUCBIS-AHRSYUTCSA-N 2 2 372.513 1.366 10 0 FDAELP CC(=O)N[C@@H]1CCC[NH+]([C@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000249685600 537240248 /nfs/dbraw/zinc/24/02/48/537240248.db2.gz NSNCLZSFWUCBIS-AHRSYUTCSA-N 2 2 372.513 1.366 10 0 FDAELP CC(=O)N[C@@H]1CCC[NH+]([C@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000249685600 537240250 /nfs/dbraw/zinc/24/02/50/537240250.db2.gz NSNCLZSFWUCBIS-AHRSYUTCSA-N 2 2 372.513 1.366 10 0 FDAELP CCCCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195281102 537389459 /nfs/dbraw/zinc/38/94/59/537389459.db2.gz HJVVKTPDJQSEFB-KRWDZBQOSA-N 2 2 361.490 1.461 10 0 FDAELP CCCCNC(=O)NC(=O)C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195281102 537389465 /nfs/dbraw/zinc/38/94/65/537389465.db2.gz HJVVKTPDJQSEFB-KRWDZBQOSA-N 2 2 361.490 1.461 10 0 FDAELP CCCCNC(=O)NC(=O)C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195281102 537389473 /nfs/dbraw/zinc/38/94/73/537389473.db2.gz HJVVKTPDJQSEFB-KRWDZBQOSA-N 2 2 361.490 1.461 10 0 FDAELP CCCCNC(=O)NC(=O)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195281102 537389478 /nfs/dbraw/zinc/38/94/78/537389478.db2.gz HJVVKTPDJQSEFB-KRWDZBQOSA-N 2 2 361.490 1.461 10 0 FDAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCCNC(=O)C(F)(F)F)C1 ZINC000195279061 672401579 /nfs/dbraw/zinc/40/15/79/672401579.db2.gz BYKNUDPLJRFXMN-OAHLLOKOSA-N 2 2 358.408 1.904 10 0 FDAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCCNC(=O)C(F)(F)F)C1 ZINC000195279061 672401582 /nfs/dbraw/zinc/40/15/82/672401582.db2.gz BYKNUDPLJRFXMN-OAHLLOKOSA-N 2 2 358.408 1.904 10 0 FDAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](CCCNC(=O)C(F)(F)F)C1 ZINC000195279061 672401584 /nfs/dbraw/zinc/40/15/84/672401584.db2.gz BYKNUDPLJRFXMN-OAHLLOKOSA-N 2 2 358.408 1.904 10 0 FDAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CCCNC(=O)C(F)(F)F)C1 ZINC000195279061 672401585 /nfs/dbraw/zinc/40/15/85/672401585.db2.gz BYKNUDPLJRFXMN-OAHLLOKOSA-N 2 2 358.408 1.904 10 0 FDAELP CN(C)S(=O)(=O)c1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000262046153 672717604 /nfs/dbraw/zinc/71/76/04/672717604.db2.gz ZDOUDJVXIOVRIY-ZACQAIPSSA-N 2 2 367.515 1.184 10 0 FDAELP CCCC[N@@H+]1CCOC[C@H]1C(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000192577586 178121700 /nfs/dbraw/zinc/12/17/00/178121700.db2.gz RLLJJZLQEGIZPC-IBGZPJMESA-N 2 2 360.502 1.663 10 0 FDAELP CCCC[N@H+]1CCOC[C@H]1C(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000192577586 178121701 /nfs/dbraw/zinc/12/17/01/178121701.db2.gz RLLJJZLQEGIZPC-IBGZPJMESA-N 2 2 360.502 1.663 10 0 FDAELP COc1cc(C[N@@H+](Cc2ccco2)C[C@@H](O)C[NH3+])cc(OC)c1OC ZINC000026509432 210183832 /nfs/dbraw/zinc/18/38/32/210183832.db2.gz PSANHTQPTKMGCV-AWEZNQCLSA-N 2 2 350.415 1.627 10 0 FDAELP COc1cc(C[N@H+](Cc2ccco2)C[C@@H](O)C[NH3+])cc(OC)c1OC ZINC000026509432 210183838 /nfs/dbraw/zinc/18/38/38/210183838.db2.gz PSANHTQPTKMGCV-AWEZNQCLSA-N 2 2 350.415 1.627 10 0 FDAELP CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171645416 258266918 /nfs/dbraw/zinc/26/69/18/258266918.db2.gz NTMOYJOBYFGYKN-SJORKVTESA-N 2 2 374.485 1.760 10 0 FDAELP CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171645416 258266919 /nfs/dbraw/zinc/26/69/19/258266919.db2.gz NTMOYJOBYFGYKN-SJORKVTESA-N 2 2 374.485 1.760 10 0 FDAELP O=C(C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)N1CCC2(CC1)OCCO2 ZINC000171641535 258267280 /nfs/dbraw/zinc/26/72/80/258267280.db2.gz BEDAGHLRZMRESD-MRXNPFEDSA-N 2 2 360.458 1.181 10 0 FDAELP O=C(C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)N1CCC2(CC1)OCCO2 ZINC000171641535 258267281 /nfs/dbraw/zinc/26/72/81/258267281.db2.gz BEDAGHLRZMRESD-MRXNPFEDSA-N 2 2 360.458 1.181 10 0 FDAELP O=C(C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)NC(=O)NCc1ccco1 ZINC000171646525 258267306 /nfs/dbraw/zinc/26/73/06/258267306.db2.gz JQSMRSHCBXBMPH-CQSZACIVSA-N 2 2 357.414 1.434 10 0 FDAELP O=C(C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)NC(=O)NCc1ccco1 ZINC000171646525 258267307 /nfs/dbraw/zinc/26/73/07/258267307.db2.gz JQSMRSHCBXBMPH-CQSZACIVSA-N 2 2 357.414 1.434 10 0 FDAELP C[C@@H]1C[N@@H+](C2CC[NH+](CCc3nc4ccccc4c(=O)[nH]3)CC2)CCO1 ZINC000067400128 172010068 /nfs/dbraw/zinc/01/00/68/172010068.db2.gz XHJRJTLDRUSEOV-OAHLLOKOSA-N 2 2 356.470 1.651 10 0 FDAELP C[C@@H]1C[N@H+](C2CC[NH+](CCc3nc4ccccc4c(=O)[nH]3)CC2)CCO1 ZINC000067400128 172010070 /nfs/dbraw/zinc/01/00/70/172010070.db2.gz XHJRJTLDRUSEOV-OAHLLOKOSA-N 2 2 356.470 1.651 10 0 FDAELP COCCN(CC[NH+](C)C)C(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000074435164 172080693 /nfs/dbraw/zinc/08/06/93/172080693.db2.gz LZJKCWIAUGBORN-UHFFFAOYSA-N 2 2 363.506 1.578 10 0 FDAELP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000076471245 172109122 /nfs/dbraw/zinc/10/91/22/172109122.db2.gz OGWVSUGNSRDIEO-SJORKVTESA-N 2 2 370.501 1.868 10 0 FDAELP C[C@@H](CNC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[NH+]1CCOCC1 ZINC000103304918 172363534 /nfs/dbraw/zinc/36/35/34/172363534.db2.gz IAJNIDGOESIAJQ-ICSRJNTNSA-N 2 2 374.529 1.571 10 0 FDAELP C[C@@H](CNC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[NH+]1CCOCC1 ZINC000103304918 172363537 /nfs/dbraw/zinc/36/35/37/172363537.db2.gz IAJNIDGOESIAJQ-ICSRJNTNSA-N 2 2 374.529 1.571 10 0 FDAELP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]1C[N@H+](C)CCO1)c1ccsc1 ZINC000104783003 172385420 /nfs/dbraw/zinc/38/54/20/172385420.db2.gz QXZZYXGMNQRRRA-HOTGVXAUSA-N 2 2 354.520 1.761 10 0 FDAELP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]1C[N@@H+](C)CCO1)c1ccsc1 ZINC000104783003 172385422 /nfs/dbraw/zinc/38/54/22/172385422.db2.gz QXZZYXGMNQRRRA-HOTGVXAUSA-N 2 2 354.520 1.761 10 0 FDAELP C[NH+](C)CCOc1cc(CNc2cc(N3CCC[C@@H]3CO)nc[nH+]2)ccn1 ZINC000135376745 173344080 /nfs/dbraw/zinc/34/40/80/173344080.db2.gz PIUDKVASYMFTPL-MRXNPFEDSA-N 2 2 372.473 1.385 10 0 FDAELP C[NH+](C)CCOc1cc(CNc2cc(N3CCC[C@@H]3CO)[nH+]cn2)ccn1 ZINC000135376745 173344082 /nfs/dbraw/zinc/34/40/82/173344082.db2.gz PIUDKVASYMFTPL-MRXNPFEDSA-N 2 2 372.473 1.385 10 0 FDAELP Cc1[nH+]c2ccccc2n1CCNC(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000175636602 174016553 /nfs/dbraw/zinc/01/65/53/174016553.db2.gz LYJMWWHURFDICX-BEFAXECRSA-N 2 2 371.485 1.707 10 0 FDAELP C[NH+](C)C[C@@H]1CN(C(=O)NCc2[nH+]ccn2CCc2ccccc2)CCO1 ZINC000175920695 174036510 /nfs/dbraw/zinc/03/65/10/174036510.db2.gz IOGIZBFAECUBJG-GOSISDBHSA-N 2 2 371.485 1.598 10 0 FDAELP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000176899442 174093050 /nfs/dbraw/zinc/09/30/50/174093050.db2.gz HQFDXCJYKHRMJW-QGZVFWFLSA-N 2 2 355.442 1.754 10 0 FDAELP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000176899442 174093051 /nfs/dbraw/zinc/09/30/51/174093051.db2.gz HQFDXCJYKHRMJW-QGZVFWFLSA-N 2 2 355.442 1.754 10 0 FDAELP C[C@H]([NH2+]CC(=O)N1CCC2(CC1)OCCO2)c1cccc(-n2cc[nH+]c2)c1 ZINC000180647729 258372542 /nfs/dbraw/zinc/37/25/42/258372542.db2.gz LXRFELYTBBBTGA-INIZCTEOSA-N 2 2 370.453 1.888 10 0 FDAELP C[N@H+](CCCNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)Cc1ccccc1 ZINC000173769255 258309670 /nfs/dbraw/zinc/30/96/70/258309670.db2.gz PZKHLWUHOOXZNQ-LJQANCHMSA-N 2 2 360.502 1.625 10 0 FDAELP C[N@@H+](CCCNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)Cc1ccccc1 ZINC000173769255 258309671 /nfs/dbraw/zinc/30/96/71/258309671.db2.gz PZKHLWUHOOXZNQ-LJQANCHMSA-N 2 2 360.502 1.625 10 0 FDAELP O=C(NCC[N@@H+]1CCc2ccccc2C1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173768987 258310115 /nfs/dbraw/zinc/31/01/15/258310115.db2.gz CWACUKLYVCYJAZ-IBGZPJMESA-N 2 2 358.486 1.161 10 0 FDAELP O=C(NCC[N@H+]1CCc2ccccc2C1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173768987 258310116 /nfs/dbraw/zinc/31/01/16/258310116.db2.gz CWACUKLYVCYJAZ-IBGZPJMESA-N 2 2 358.486 1.161 10 0 FDAELP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C[C@@H]1[NH+]1CCOCC1 ZINC000173964728 258316273 /nfs/dbraw/zinc/31/62/73/258316273.db2.gz XGGHNJVWVKITEJ-HOJAQTOUSA-N 2 2 373.497 1.067 10 0 FDAELP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C[C@@H]1[NH+]1CCOCC1 ZINC000173964728 258316274 /nfs/dbraw/zinc/31/62/74/258316274.db2.gz XGGHNJVWVKITEJ-HOJAQTOUSA-N 2 2 373.497 1.067 10 0 FDAELP COc1ccc(C[NH+]2CCN(C(=O)CN3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000178634096 258330877 /nfs/dbraw/zinc/33/08/77/258330877.db2.gz YRLFOVQLSNTDEA-LJQANCHMSA-N 2 2 372.513 1.119 10 0 FDAELP COc1ccc(C[NH+]2CCN(C(=O)CN3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000178634096 258330878 /nfs/dbraw/zinc/33/08/78/258330878.db2.gz YRLFOVQLSNTDEA-LJQANCHMSA-N 2 2 372.513 1.119 10 0 FDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000178745341 258334514 /nfs/dbraw/zinc/33/45/14/258334514.db2.gz FUMAFHVXXINVNV-GOSISDBHSA-N 2 2 369.469 1.996 10 0 FDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000178745341 258334515 /nfs/dbraw/zinc/33/45/15/258334515.db2.gz FUMAFHVXXINVNV-GOSISDBHSA-N 2 2 369.469 1.996 10 0 FDAELP C[C@@H]1CCCN(c2cc(N3CCC([N@@H+]4CCC[C@H]4C(N)=O)CC3)nc[nH+]2)C1 ZINC000301955534 259036545 /nfs/dbraw/zinc/03/65/45/259036545.db2.gz KREIYTDYFGKLQJ-WBVHZDCISA-N 2 2 372.517 1.631 10 0 FDAELP C[C@@H]1CCCN(c2cc(N3CCC([N@H+]4CCC[C@H]4C(N)=O)CC3)nc[nH+]2)C1 ZINC000301955534 259036546 /nfs/dbraw/zinc/03/65/46/259036546.db2.gz KREIYTDYFGKLQJ-WBVHZDCISA-N 2 2 372.517 1.631 10 0 FDAELP C[C@@H]1CCCN(c2cc(N3CCC([N@@H+]4CCC[C@H]4C(N)=O)CC3)[nH+]cn2)C1 ZINC000301955534 259036547 /nfs/dbraw/zinc/03/65/47/259036547.db2.gz KREIYTDYFGKLQJ-WBVHZDCISA-N 2 2 372.517 1.631 10 0 FDAELP C[C@@H]1CCCN(c2cc(N3CCC([N@H+]4CCC[C@H]4C(N)=O)CC3)[nH+]cn2)C1 ZINC000301955534 259036548 /nfs/dbraw/zinc/03/65/48/259036548.db2.gz KREIYTDYFGKLQJ-WBVHZDCISA-N 2 2 372.517 1.631 10 0 FDAELP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCN3C(=O)NC(=O)[C@H]3C2)CC1 ZINC000329293041 259088931 /nfs/dbraw/zinc/08/89/31/259088931.db2.gz RKZFFYVCWLBTTD-QGZVFWFLSA-N 2 2 357.458 1.405 10 0 FDAELP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCN3C(=O)NC(=O)[C@H]3C2)CC1 ZINC000329293041 259088932 /nfs/dbraw/zinc/08/89/32/259088932.db2.gz RKZFFYVCWLBTTD-QGZVFWFLSA-N 2 2 357.458 1.405 10 0 FDAELP O=C([C@H]1COCC[N@@H+]1CC1CCC1)N1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000333571927 259360481 /nfs/dbraw/zinc/36/04/81/259360481.db2.gz MPMYTDTWAWUACB-LJQANCHMSA-N 2 2 373.501 1.151 10 0 FDAELP O=C([C@H]1COCC[N@H+]1CC1CCC1)N1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000333571927 259360482 /nfs/dbraw/zinc/36/04/82/259360482.db2.gz MPMYTDTWAWUACB-LJQANCHMSA-N 2 2 373.501 1.151 10 0 FDAELP COC[C@@H](O)C[NH+]1CCN(c2nc(C)[nH+]c(C)c2Cc2ccccc2)CC1 ZINC000036340436 519619965 /nfs/dbraw/zinc/61/99/65/519619965.db2.gz MAOTUBQIZZGRAE-IBGZPJMESA-N 2 2 370.497 1.814 10 0 FDAELP C[C@H](CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)[NH+]1CCOCC1 ZINC000047777664 522601304 /nfs/dbraw/zinc/60/13/04/522601304.db2.gz WTUQCCLPTNCSDU-SJORKVTESA-N 2 2 364.490 1.827 10 0 FDAELP Cc1c(C[NH2+]CC[N@@H+]2CCCC[C@@H]2CO)c2ccccc2n1CC(N)=O ZINC000055371078 523803750 /nfs/dbraw/zinc/80/37/50/523803750.db2.gz SOYYDNSQZODJQC-MRXNPFEDSA-N 2 2 358.486 1.371 10 0 FDAELP Cc1c(C[NH2+]CC[N@H+]2CCCC[C@@H]2CO)c2ccccc2n1CC(N)=O ZINC000055371078 523803756 /nfs/dbraw/zinc/80/37/56/523803756.db2.gz SOYYDNSQZODJQC-MRXNPFEDSA-N 2 2 358.486 1.371 10 0 FDAELP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC(c4cc[nH]n4)CC3)CC2)CC1 ZINC000158200110 524420521 /nfs/dbraw/zinc/42/05/21/524420521.db2.gz BKYKHGYELAIYJB-UHFFFAOYSA-N 2 2 374.533 1.857 10 0 FDAELP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000122137846 524460571 /nfs/dbraw/zinc/46/05/71/524460571.db2.gz APHMMVYDQBNECD-KBXCAEBGSA-N 2 2 357.458 1.872 10 0 FDAELP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000122137846 524460582 /nfs/dbraw/zinc/46/05/82/524460582.db2.gz APHMMVYDQBNECD-KBXCAEBGSA-N 2 2 357.458 1.872 10 0 FDAELP C[C@H](CNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000173859902 524473834 /nfs/dbraw/zinc/47/38/34/524473834.db2.gz BMSLLFZPIQWLDL-MJGOQNOKSA-N 2 2 360.502 1.623 10 0 FDAELP C[C@H](CNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000173859902 524473845 /nfs/dbraw/zinc/47/38/45/524473845.db2.gz BMSLLFZPIQWLDL-MJGOQNOKSA-N 2 2 360.502 1.623 10 0 FDAELP CC(C)[C@@H](CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C)N1CC[NH+](C)CC1 ZINC000112914090 524587766 /nfs/dbraw/zinc/58/77/66/524587766.db2.gz LLGKMDIJPBCTKT-VQTJNVASSA-N 2 2 360.546 1.548 10 0 FDAELP CC(C)[C@@H](CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C)[NH+]1CCN(C)CC1 ZINC000112914090 524587770 /nfs/dbraw/zinc/58/77/70/524587770.db2.gz LLGKMDIJPBCTKT-VQTJNVASSA-N 2 2 360.546 1.548 10 0 FDAELP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000113268621 524660889 /nfs/dbraw/zinc/66/08/89/524660889.db2.gz SKJPVJCBRNVINC-QZTJIDSGSA-N 2 2 357.502 1.289 10 0 FDAELP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000113268621 524660904 /nfs/dbraw/zinc/66/09/04/524660904.db2.gz SKJPVJCBRNVINC-QZTJIDSGSA-N 2 2 357.502 1.289 10 0 FDAELP C[C@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)[NH+]1CCOCC1 ZINC000123873903 524850862 /nfs/dbraw/zinc/85/08/62/524850862.db2.gz XGGXHUNRNPQIKN-JFIYKMOQSA-N 2 2 350.507 1.365 10 0 FDAELP C[C@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)[NH+]1CCOCC1 ZINC000123873903 524850870 /nfs/dbraw/zinc/85/08/70/524850870.db2.gz XGGXHUNRNPQIKN-JFIYKMOQSA-N 2 2 350.507 1.365 10 0 FDAELP C[C@@H](CNC(=O)NCc1ccc(OCC[NH+](C)C)cc1)[NH+]1CCOCC1 ZINC000124132324 524911430 /nfs/dbraw/zinc/91/14/30/524911430.db2.gz INWMOPKARHHAPZ-INIZCTEOSA-N 2 2 364.490 1.147 10 0 FDAELP C[C@H](CNC(=O)N1CC[NH+](C2CCC(C)CC2)CC1)[NH+]1CCOCC1 ZINC000115653692 525038540 /nfs/dbraw/zinc/03/85/40/525038540.db2.gz NKMMLZQTJYRFRM-LXPRWKDFSA-N 2 2 352.523 1.613 10 0 FDAELP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@@H](c2c(F)cccc2F)[NH+](C)C)CCO1 ZINC000117051887 525277558 /nfs/dbraw/zinc/27/75/58/525277558.db2.gz HVXFVVXUHCYFQT-CJNGLKHVSA-N 2 2 370.444 1.540 10 0 FDAELP C[NH+](C)C[C@H]1CN(C(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)CCO1 ZINC000117051896 525279464 /nfs/dbraw/zinc/27/94/64/525279464.db2.gz HVXFVVXUHCYFQT-XJKSGUPXSA-N 2 2 370.444 1.540 10 0 FDAELP C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000118115881 525460002 /nfs/dbraw/zinc/46/00/02/525460002.db2.gz MKUCDGOJPJZHCW-SFHVURJKSA-N 2 2 374.485 1.058 10 0 FDAELP C[N@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000118115881 525460014 /nfs/dbraw/zinc/46/00/14/525460014.db2.gz MKUCDGOJPJZHCW-SFHVURJKSA-N 2 2 374.485 1.058 10 0 FDAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](C[C@H](O)c3ccc(F)cc3)CC2)C1 ZINC000106122092 525618531 /nfs/dbraw/zinc/61/85/31/525618531.db2.gz ZKSLCDSLDCHJPA-UXHICEINSA-N 2 2 365.493 1.586 10 0 FDAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](C[C@H](O)c3ccc(F)cc3)CC2)C1 ZINC000106122092 525618541 /nfs/dbraw/zinc/61/85/41/525618541.db2.gz ZKSLCDSLDCHJPA-UXHICEINSA-N 2 2 365.493 1.586 10 0 FDAELP C[N@H+](CC(=O)NCc1ccccc1F)C1CC[NH+](CCn2cccn2)CC1 ZINC000106130094 525620159 /nfs/dbraw/zinc/62/01/59/525620159.db2.gz CVVVAMNXKMZXTD-UHFFFAOYSA-N 2 2 373.476 1.735 10 0 FDAELP C[N@@H+](CC(=O)NCc1ccccc1F)C1CC[NH+](CCn2cccn2)CC1 ZINC000106130094 525620166 /nfs/dbraw/zinc/62/01/66/525620166.db2.gz CVVVAMNXKMZXTD-UHFFFAOYSA-N 2 2 373.476 1.735 10 0 FDAELP C[C@@H](C(=O)Nc1ncccn1)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106129457 525621304 /nfs/dbraw/zinc/62/13/04/525621304.db2.gz LMYYYWZQDUFBTP-HNNXBMFYSA-N 2 2 357.462 1.097 10 0 FDAELP C[C@@H](C(=O)Nc1ncccn1)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106129457 525621314 /nfs/dbraw/zinc/62/13/14/525621314.db2.gz LMYYYWZQDUFBTP-HNNXBMFYSA-N 2 2 357.462 1.097 10 0 FDAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCC[C@H](n4cncn4)C3)c2cc1C ZINC000106218023 525677527 /nfs/dbraw/zinc/67/75/27/525677527.db2.gz GNIINYVDCHRMNE-IRXDYDNUSA-N 2 2 354.458 1.943 10 0 FDAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCC[C@H](n4cncn4)C3)c2cc1C ZINC000106218023 525677533 /nfs/dbraw/zinc/67/75/33/525677533.db2.gz GNIINYVDCHRMNE-IRXDYDNUSA-N 2 2 354.458 1.943 10 0 FDAELP CCCCOC(=O)CC[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000155104099 525743819 /nfs/dbraw/zinc/74/38/19/525743819.db2.gz LUVHUYKNWULQGP-SFHVURJKSA-N 2 2 355.523 1.447 10 0 FDAELP CCCCOC(=O)CC[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000155104099 525743823 /nfs/dbraw/zinc/74/38/23/525743823.db2.gz LUVHUYKNWULQGP-SFHVURJKSA-N 2 2 355.523 1.447 10 0 FDAELP COc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)C[NH+]3CCC(O)CC3)C2)c1 ZINC000020775744 525938074 /nfs/dbraw/zinc/93/80/74/525938074.db2.gz PCPNEJNODBLQIU-QGZVFWFLSA-N 2 2 361.486 1.233 10 0 FDAELP COc1cccc(C[N@H+]2CCC[C@@H](NC(=O)C[NH+]3CCC(O)CC3)C2)c1 ZINC000020775744 525938080 /nfs/dbraw/zinc/93/80/80/525938080.db2.gz PCPNEJNODBLQIU-QGZVFWFLSA-N 2 2 361.486 1.233 10 0 FDAELP O=C(NC[C@@H](c1ccccc1)[NH+]1CCOCC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171901203 526173193 /nfs/dbraw/zinc/17/31/93/526173193.db2.gz FBROZUMADMKULZ-MOPGFXCFSA-N 2 2 358.486 1.550 10 0 FDAELP O=C(NC[C@@H](c1ccccc1)[NH+]1CCOCC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171901203 526173201 /nfs/dbraw/zinc/17/32/01/526173201.db2.gz FBROZUMADMKULZ-MOPGFXCFSA-N 2 2 358.486 1.550 10 0 FDAELP CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)nc[nH+]1 ZINC000246396972 536944878 /nfs/dbraw/zinc/94/48/78/536944878.db2.gz SXNGDSNSOSWRAD-IIAWOOMASA-N 2 2 373.505 1.412 10 0 FDAELP CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)[nH+]cn1 ZINC000246396972 536944883 /nfs/dbraw/zinc/94/48/83/536944883.db2.gz SXNGDSNSOSWRAD-IIAWOOMASA-N 2 2 373.505 1.412 10 0 FDAELP CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)[nH+]cn1 ZINC000246396972 536944887 /nfs/dbraw/zinc/94/48/87/536944887.db2.gz SXNGDSNSOSWRAD-IIAWOOMASA-N 2 2 373.505 1.412 10 0 FDAELP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](c2ccc(C)s2)[NH+]2CCOCC2)C1 ZINC000246752139 537018419 /nfs/dbraw/zinc/01/84/19/537018419.db2.gz HTINZHWQRIPRGU-CVEARBPZSA-N 2 2 367.515 1.267 10 0 FDAELP CC[N@H+]1CCO[C@H](C(=O)NC[C@H](c2ccc(C)s2)[NH+]2CCOCC2)C1 ZINC000246752139 537018422 /nfs/dbraw/zinc/01/84/22/537018422.db2.gz HTINZHWQRIPRGU-CVEARBPZSA-N 2 2 367.515 1.267 10 0 FDAELP O=C(C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000246898453 537047373 /nfs/dbraw/zinc/04/73/73/537047373.db2.gz MGDXDPMKCTYGHF-PXNSSMCTSA-N 2 2 361.486 1.551 10 0 FDAELP O=C(C[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000246898453 537047376 /nfs/dbraw/zinc/04/73/76/537047376.db2.gz MGDXDPMKCTYGHF-PXNSSMCTSA-N 2 2 361.486 1.551 10 0 FDAELP CC[C@H]1CN(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)CC[N@@H+]1CCOC ZINC000246968030 537059993 /nfs/dbraw/zinc/05/99/93/537059993.db2.gz DTPIVXVWYSHKHY-ZWKOTPCHSA-N 2 2 370.538 1.095 10 0 FDAELP CC[C@H]1CN(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)CC[N@H+]1CCOC ZINC000246968030 537059998 /nfs/dbraw/zinc/05/99/98/537059998.db2.gz DTPIVXVWYSHKHY-ZWKOTPCHSA-N 2 2 370.538 1.095 10 0 FDAELP C[C@@H]1CCN(C(=O)NC[C@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000247411777 537117183 /nfs/dbraw/zinc/11/71/83/537117183.db2.gz IXVOFYRBQWFNQP-MJGOQNOKSA-N 2 2 360.502 1.623 10 0 FDAELP C[C@@H]1CCN(C(=O)NC[C@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1ccccc1 ZINC000247411777 537117187 /nfs/dbraw/zinc/11/71/87/537117187.db2.gz IXVOFYRBQWFNQP-MJGOQNOKSA-N 2 2 360.502 1.623 10 0 FDAELP C[C@@H]1CCN(C(=O)NC[C@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1ccccc1 ZINC000247411777 537117189 /nfs/dbraw/zinc/11/71/89/537117189.db2.gz IXVOFYRBQWFNQP-MJGOQNOKSA-N 2 2 360.502 1.623 10 0 FDAELP C[C@@H]1CCN(C(=O)NC[C@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1ccccc1 ZINC000247411777 537117191 /nfs/dbraw/zinc/11/71/91/537117191.db2.gz IXVOFYRBQWFNQP-MJGOQNOKSA-N 2 2 360.502 1.623 10 0 FDAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)CN2CCOCC2)C1 ZINC000195262886 537383708 /nfs/dbraw/zinc/38/37/08/537383708.db2.gz WZCJYNMCWJCCEB-RDJZCZTQSA-N 2 2 352.548 1.926 10 0 FDAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)CN2CCOCC2)C1 ZINC000195262886 537383716 /nfs/dbraw/zinc/38/37/16/537383716.db2.gz WZCJYNMCWJCCEB-RDJZCZTQSA-N 2 2 352.548 1.926 10 0 FDAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)CN2CCOCC2)C1 ZINC000195262886 537383727 /nfs/dbraw/zinc/38/37/27/537383727.db2.gz WZCJYNMCWJCCEB-RDJZCZTQSA-N 2 2 352.548 1.926 10 0 FDAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)CN2CCOCC2)C1 ZINC000195262886 537383737 /nfs/dbraw/zinc/38/37/37/537383737.db2.gz WZCJYNMCWJCCEB-RDJZCZTQSA-N 2 2 352.548 1.926 10 0 FDAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCN2C(=O)NC(C)(C)C2=O)C1 ZINC000195272493 537385064 /nfs/dbraw/zinc/38/50/64/537385064.db2.gz VDSVQECJMPUXOH-INIZCTEOSA-N 2 2 359.474 1.166 10 0 FDAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCN2C(=O)NC(C)(C)C2=O)C1 ZINC000195272493 537385073 /nfs/dbraw/zinc/38/50/73/537385073.db2.gz VDSVQECJMPUXOH-INIZCTEOSA-N 2 2 359.474 1.166 10 0 FDAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CCN2C(=O)NC(C)(C)C2=O)C1 ZINC000195272493 537385082 /nfs/dbraw/zinc/38/50/82/537385082.db2.gz VDSVQECJMPUXOH-INIZCTEOSA-N 2 2 359.474 1.166 10 0 FDAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CCN2C(=O)NC(C)(C)C2=O)C1 ZINC000195272493 537385091 /nfs/dbraw/zinc/38/50/91/537385091.db2.gz VDSVQECJMPUXOH-INIZCTEOSA-N 2 2 359.474 1.166 10 0 FDAELP CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000710179839 886911274 /nfs/dbraw/zinc/91/12/74/886911274.db2.gz XMFGPQWZJYDGKW-MTHXSQLBSA-N 2 2 364.511 1.299 10 0 FDAELP CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000710179839 886911276 /nfs/dbraw/zinc/91/12/76/886911276.db2.gz XMFGPQWZJYDGKW-MTHXSQLBSA-N 2 2 364.511 1.299 10 0 FDAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](C[C@@H]3CC4(CCC4)C(=O)O3)CC2)C1 ZINC000192002261 178082142 /nfs/dbraw/zinc/08/21/42/178082142.db2.gz KEKABKIQUOTIEJ-ROUUACIJSA-N 2 2 365.518 1.199 10 0 FDAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](C[C@@H]3CC4(CCC4)C(=O)O3)CC2)C1 ZINC000192002261 178082145 /nfs/dbraw/zinc/08/21/45/178082145.db2.gz KEKABKIQUOTIEJ-ROUUACIJSA-N 2 2 365.518 1.199 10 0 FDAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](CCO[C@@H]3CCCCO3)CC2)C1 ZINC000193050406 178144522 /nfs/dbraw/zinc/14/45/22/178144522.db2.gz OALLPYMMLDVPSM-RTBURBONSA-N 2 2 355.523 1.256 10 0 FDAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](CCO[C@@H]3CCCCO3)CC2)C1 ZINC000193050406 178144525 /nfs/dbraw/zinc/14/45/25/178144525.db2.gz OALLPYMMLDVPSM-RTBURBONSA-N 2 2 355.523 1.256 10 0 FDAELP O=C([C@H]1CCC[N@H+]1Cc1ccc(F)cc1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000245427599 178357478 /nfs/dbraw/zinc/35/74/78/178357478.db2.gz WBPGNBHEGJFKSP-RTBURBONSA-N 2 2 361.461 1.723 10 0 FDAELP O=C([C@H]1CCC[N@@H+]1Cc1ccc(F)cc1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000245427599 178357480 /nfs/dbraw/zinc/35/74/80/178357480.db2.gz WBPGNBHEGJFKSP-RTBURBONSA-N 2 2 361.461 1.723 10 0 FDAELP COC(=O)c1ccc(Nc2nc[nH+]c(NN3CC[NH+](C)CC3)c2N)cc1 ZINC000040756911 211758679 /nfs/dbraw/zinc/75/86/79/211758679.db2.gz XFFZXIUFKZOQTB-UHFFFAOYSA-N 2 2 357.418 1.163 10 0 FDAELP CCn1c[nH+]cc1Cn1nc([C@@H]2CCC[NH2+]C2)n(-c2ccccc2)c1=O ZINC000071708166 221356009 /nfs/dbraw/zinc/35/60/09/221356009.db2.gz JDRWPQDGTPWQEE-OAHLLOKOSA-N 2 2 352.442 1.766 10 0 FDAELP CC[C@@H]1CN(C(=O)NCc2cn3c(cccc3C)[nH+]2)CC[N@@H+]1CCOC ZINC000172336829 258273903 /nfs/dbraw/zinc/27/39/03/258273903.db2.gz FPGIMEKYPJVNBP-QGZVFWFLSA-N 2 2 359.474 1.895 10 0 FDAELP CC[C@@H]1CN(C(=O)NCc2cn3c(cccc3C)[nH+]2)CC[N@H+]1CCOC ZINC000172336829 258273904 /nfs/dbraw/zinc/27/39/04/258273904.db2.gz FPGIMEKYPJVNBP-QGZVFWFLSA-N 2 2 359.474 1.895 10 0 FDAELP CCOC(=O)c1ccc2[nH+]cc(C(=O)OCC)c(N3CC[NH2+]CC3)c2c1 ZINC000053994928 132376162 /nfs/dbraw/zinc/37/61/62/132376162.db2.gz WZDFJWUPUAEINB-UHFFFAOYSA-N 2 2 357.410 1.998 10 0 FDAELP C[C@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000073719800 172068354 /nfs/dbraw/zinc/06/83/54/172068354.db2.gz ISFJXWMWARVVDT-IRXDYDNUSA-N 2 2 352.523 1.803 10 0 FDAELP Cc1nc(C[C@@H]2CCC[N@@H+](Cc3cnc(N4CC[NH+](C)CC4)nc3)C2)no1 ZINC000092814097 172305648 /nfs/dbraw/zinc/30/56/48/172305648.db2.gz SFZBUCUUBPRINI-INIZCTEOSA-N 2 2 371.489 1.375 10 0 FDAELP Cc1nc(C[C@@H]2CCC[N@H+](Cc3cnc(N4CC[NH+](C)CC4)nc3)C2)no1 ZINC000092814097 172305651 /nfs/dbraw/zinc/30/56/51/172305651.db2.gz SFZBUCUUBPRINI-INIZCTEOSA-N 2 2 371.489 1.375 10 0 FDAELP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000173470822 258300329 /nfs/dbraw/zinc/30/03/29/258300329.db2.gz RURAZVIMPKVGEJ-ZWKOTPCHSA-N 2 2 357.502 1.289 10 0 FDAELP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000173470822 258300330 /nfs/dbraw/zinc/30/03/30/258300330.db2.gz RURAZVIMPKVGEJ-ZWKOTPCHSA-N 2 2 357.502 1.289 10 0 FDAELP C[C@H]1CN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000175650651 174017262 /nfs/dbraw/zinc/01/72/62/174017262.db2.gz DYANGELGDDKLGL-WMZOPIPTSA-N 2 2 373.501 1.544 10 0 FDAELP C[C@@H](COCc1ccccc1)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000175830605 174031261 /nfs/dbraw/zinc/03/12/61/174031261.db2.gz AGPNLFXQHQRABV-KRWDZBQOSA-N 2 2 362.518 1.917 10 0 FDAELP O=C(NC1CC[NH+](C2CCCC2)CC1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000176033710 174045921 /nfs/dbraw/zinc/04/59/21/174045921.db2.gz SJOJZLOUVZGPCJ-SFHVURJKSA-N 2 2 350.507 1.510 10 0 FDAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](Cc3cnn4ccccc34)CC2)C1 ZINC000179514580 258352540 /nfs/dbraw/zinc/35/25/40/258352540.db2.gz LXHPEUAERIFQLH-LJQANCHMSA-N 2 2 357.502 1.561 10 0 FDAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](Cc3cnn4ccccc34)CC2)C1 ZINC000179514580 258352541 /nfs/dbraw/zinc/35/25/41/258352541.db2.gz LXHPEUAERIFQLH-LJQANCHMSA-N 2 2 357.502 1.561 10 0 FDAELP CN(C(=O)NC[C@H]1C[NH+](C)CCO1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000174241807 258321979 /nfs/dbraw/zinc/32/19/79/258321979.db2.gz HXYQDQASAQLAPY-MOPGFXCFSA-N 2 2 360.502 1.623 10 0 FDAELP CN(C(=O)NC[C@H]1C[NH+](C)CCO1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000174241807 258321980 /nfs/dbraw/zinc/32/19/80/258321980.db2.gz HXYQDQASAQLAPY-MOPGFXCFSA-N 2 2 360.502 1.623 10 0 FDAELP CN(C(=O)NC[C@H]1C[N@H+](C)CCO1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000174241807 258321981 /nfs/dbraw/zinc/32/19/81/258321981.db2.gz HXYQDQASAQLAPY-MOPGFXCFSA-N 2 2 360.502 1.623 10 0 FDAELP CN(C(=O)NC[C@H]1C[N@@H+](C)CCO1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000174241807 258321982 /nfs/dbraw/zinc/32/19/82/258321982.db2.gz HXYQDQASAQLAPY-MOPGFXCFSA-N 2 2 360.502 1.623 10 0 FDAELP C[C@@H](C(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1)[NH+]1CCSCC1 ZINC000179168670 258345231 /nfs/dbraw/zinc/34/52/31/258345231.db2.gz LEIKNIGOZSWPIM-FUHWJXTLSA-N 2 2 363.527 1.302 10 0 FDAELP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000028659255 519244109 /nfs/dbraw/zinc/24/41/09/519244109.db2.gz MCGJLIZGJYZHQE-LJQANCHMSA-N 2 2 372.513 1.192 10 0 FDAELP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000028659255 519244116 /nfs/dbraw/zinc/24/41/16/519244116.db2.gz MCGJLIZGJYZHQE-LJQANCHMSA-N 2 2 372.513 1.192 10 0 FDAELP O=C(CN1CCC([NH+]2CCCC2)CC1)N1CC[NH+](Cc2ccco2)CC1 ZINC000066533020 523098335 /nfs/dbraw/zinc/09/83/35/523098335.db2.gz XDSWWHYKQRGLFM-UHFFFAOYSA-N 2 2 360.502 1.484 10 0 FDAELP C[C@@H](C(=O)NC[C@H]1C[N@H+](C)CCO1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000110673427 524120411 /nfs/dbraw/zinc/12/04/11/524120411.db2.gz RRULMVLSNCJQBM-PXNSSMCTSA-N 2 2 359.514 1.776 10 0 FDAELP C[C@@H](C(=O)NC[C@H]1C[N@@H+](C)CCO1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000110673427 524120420 /nfs/dbraw/zinc/12/04/20/524120420.db2.gz RRULMVLSNCJQBM-PXNSSMCTSA-N 2 2 359.514 1.776 10 0 FDAELP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000172145903 524135927 /nfs/dbraw/zinc/13/59/27/524135927.db2.gz XXYZVUJXGOYFFO-INIZCTEOSA-N 2 2 373.505 1.479 10 0 FDAELP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000172145903 524135933 /nfs/dbraw/zinc/13/59/33/524135933.db2.gz XXYZVUJXGOYFFO-INIZCTEOSA-N 2 2 373.505 1.479 10 0 FDAELP C[N@@H+]1CCO[C@H](CNC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000111587859 524304571 /nfs/dbraw/zinc/30/45/71/524304571.db2.gz JPQRAPPOQLTKQX-LJQANCHMSA-N 2 2 360.502 1.036 10 0 FDAELP C[N@H+]1CCO[C@H](CNC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000111587859 524304576 /nfs/dbraw/zinc/30/45/76/524304576.db2.gz JPQRAPPOQLTKQX-LJQANCHMSA-N 2 2 360.502 1.036 10 0 FDAELP C[NH+](C)[C@H]1CCN(C(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)C1 ZINC000111896507 524372415 /nfs/dbraw/zinc/37/24/15/524372415.db2.gz RMTBKANPBRIJTC-MOPGFXCFSA-N 2 2 360.502 1.275 10 0 FDAELP CNc1cc(N2CCC[C@H]2CNC(=O)c2ccc(C[NH+](C)C)cc2)nc[nH+]1 ZINC000173432528 524386043 /nfs/dbraw/zinc/38/60/43/524386043.db2.gz JNEYGPJTDPBGPU-KRWDZBQOSA-N 2 2 368.485 1.979 10 0 FDAELP CNc1cc(N2CCC[C@H]2CNC(=O)c2ccc(C[NH+](C)C)cc2)[nH+]cn1 ZINC000173432528 524386051 /nfs/dbraw/zinc/38/60/51/524386051.db2.gz JNEYGPJTDPBGPU-KRWDZBQOSA-N 2 2 368.485 1.979 10 0 FDAELP C[NH+]1CCN(Cc2cccc(C(=O)N3CC[N@H+]4CCCC[C@H]4C3)c2)CC1 ZINC000174343781 524542929 /nfs/dbraw/zinc/54/29/29/524542929.db2.gz LVMGVPLRUAIOLS-FQEVSTJZSA-N 2 2 356.514 1.744 10 0 FDAELP COCC[N@H+](C)CCCNC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000112744095 524561865 /nfs/dbraw/zinc/56/18/65/524561865.db2.gz GLGYWXYYQJPSGJ-UHFFFAOYSA-N 2 2 351.495 1.580 10 0 FDAELP COCC[N@@H+](C)CCCNC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000112744095 524561868 /nfs/dbraw/zinc/56/18/68/524561868.db2.gz GLGYWXYYQJPSGJ-UHFFFAOYSA-N 2 2 351.495 1.580 10 0 FDAELP CC(C)[C@@H](CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C)N1CC[NH+](C)CC1 ZINC000112914085 524588071 /nfs/dbraw/zinc/58/80/71/524588071.db2.gz LLGKMDIJPBCTKT-WOJBJXKFSA-N 2 2 360.546 1.548 10 0 FDAELP CC(C)[C@@H](CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C)[NH+]1CCN(C)CC1 ZINC000112914085 524588080 /nfs/dbraw/zinc/58/80/80/524588080.db2.gz LLGKMDIJPBCTKT-WOJBJXKFSA-N 2 2 360.546 1.548 10 0 FDAELP Cc1cnn([C@H]2CCC[N@@H+](Cc3cnc(N4CC[NH+](C)CC4)nc3)C2)c1 ZINC000123056201 524670449 /nfs/dbraw/zinc/67/04/49/524670449.db2.gz AHCWAXVNIMOVRH-SFHVURJKSA-N 2 2 355.490 1.570 10 0 FDAELP Cc1cnn([C@H]2CCC[N@H+](Cc3cnc(N4CC[NH+](C)CC4)nc3)C2)c1 ZINC000123056201 524670462 /nfs/dbraw/zinc/67/04/62/524670462.db2.gz AHCWAXVNIMOVRH-SFHVURJKSA-N 2 2 355.490 1.570 10 0 FDAELP C[NH+](C)Cc1ccc(N2CCN(C(=O)NCCCn3cc[nH+]c3)CC2)nc1 ZINC000114580926 524830918 /nfs/dbraw/zinc/83/09/18/524830918.db2.gz ULSBVHJLCXJPRE-UHFFFAOYSA-N 2 2 371.489 1.262 10 0 FDAELP Cc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@@H](C)[NH+]2CCOCC2)c1 ZINC000114926749 524915764 /nfs/dbraw/zinc/91/57/64/524915764.db2.gz HTDPOZFKJHFILN-GOSISDBHSA-N 2 2 362.518 1.789 10 0 FDAELP CC[NH+](CC)[C@@H](C)CNC(=O)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000115796907 525061219 /nfs/dbraw/zinc/06/12/19/525061219.db2.gz YMINLGKTFYLKRZ-HNNXBMFYSA-N 2 2 364.538 1.594 10 0 FDAELP Cc1ccc2[nH+]c(CSCC(=O)N3CCO[C@H](C[NH+](C)C)C3)cn2c1 ZINC000116791813 525219907 /nfs/dbraw/zinc/21/99/07/525219907.db2.gz RBQYAAIYAUEASI-MRXNPFEDSA-N 2 2 362.499 1.665 10 0 FDAELP CCCn1cc(C[N@@H+]2CCCN(C(=O)NCCn3cc[nH+]c3)CC2)cn1 ZINC000119595575 525799234 /nfs/dbraw/zinc/79/92/34/525799234.db2.gz UFEDNILESGQEPB-UHFFFAOYSA-N 2 2 359.478 1.407 10 0 FDAELP CCCn1cc(C[N@H+]2CCCN(C(=O)NCCn3cc[nH+]c3)CC2)cn1 ZINC000119595575 525799241 /nfs/dbraw/zinc/79/92/41/525799241.db2.gz UFEDNILESGQEPB-UHFFFAOYSA-N 2 2 359.478 1.407 10 0 FDAELP Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000171817192 526134825 /nfs/dbraw/zinc/13/48/25/526134825.db2.gz FVHYZUOPPDIZQS-UHFFFAOYSA-N 2 2 366.469 1.813 10 0 FDAELP Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000171817192 526134833 /nfs/dbraw/zinc/13/48/33/526134833.db2.gz FVHYZUOPPDIZQS-UHFFFAOYSA-N 2 2 366.469 1.813 10 0 FDAELP CCn1cc(C[N@@H+]2CCCN(C(=O)NCCCn3cc[nH+]c3)CC2)cn1 ZINC000171865243 526157764 /nfs/dbraw/zinc/15/77/64/526157764.db2.gz WGRNFNKTBCGSKD-UHFFFAOYSA-N 2 2 359.478 1.407 10 0 FDAELP CCn1cc(C[N@H+]2CCCN(C(=O)NCCCn3cc[nH+]c3)CC2)cn1 ZINC000171865243 526157774 /nfs/dbraw/zinc/15/77/74/526157774.db2.gz WGRNFNKTBCGSKD-UHFFFAOYSA-N 2 2 359.478 1.407 10 0 FDAELP Cc1cccc([C@@H](CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)[NH+]2CCOCC2)c1 ZINC000171900824 526173614 /nfs/dbraw/zinc/17/36/14/526173614.db2.gz JZDPYVOGSCKFCH-WOJBJXKFSA-N 2 2 372.513 1.858 10 0 FDAELP Cc1cccc([C@@H](CNC(=O)N2CC[N@H+]3CCC[C@@H]3C2)[NH+]2CCOCC2)c1 ZINC000171900824 526173617 /nfs/dbraw/zinc/17/36/17/526173617.db2.gz JZDPYVOGSCKFCH-WOJBJXKFSA-N 2 2 372.513 1.858 10 0 FDAELP C[C@@H]1C[NH+](CCCCNc2cc(N3CCC[C@H]3CO)[nH+]cn2)C[C@@H](C)O1 ZINC000246420654 536950750 /nfs/dbraw/zinc/95/07/50/536950750.db2.gz AMAAWVAHPDHFOZ-ZACQAIPSSA-N 2 2 363.506 1.739 10 0 FDAELP C[C@@H]1C[NH+](CCCCNc2cc(N3CCC[C@H]3CO)nc[nH+]2)C[C@@H](C)O1 ZINC000246420654 536950752 /nfs/dbraw/zinc/95/07/52/536950752.db2.gz AMAAWVAHPDHFOZ-ZACQAIPSSA-N 2 2 363.506 1.739 10 0 FDAELP CC(C)[C@@H](CNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)[NH+]1CCN(C)CC1 ZINC000246480012 536962731 /nfs/dbraw/zinc/96/27/31/536962731.db2.gz RNFUFGGBNKIVMW-ZWKOTPCHSA-N 2 2 351.539 1.138 10 0 FDAELP CC(C)[C@@H](CNC(=O)N1CC[N@H+]2CCCC[C@H]2C1)[NH+]1CCN(C)CC1 ZINC000246480012 536962735 /nfs/dbraw/zinc/96/27/35/536962735.db2.gz RNFUFGGBNKIVMW-ZWKOTPCHSA-N 2 2 351.539 1.138 10 0 FDAELP CC(C)[C@@H](CNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)N1CC[NH+](C)CC1 ZINC000246480012 536962738 /nfs/dbraw/zinc/96/27/38/536962738.db2.gz RNFUFGGBNKIVMW-ZWKOTPCHSA-N 2 2 351.539 1.138 10 0 FDAELP CC(C)[C@@H](CNC(=O)N1CC[N@H+]2CCCC[C@H]2C1)N1CC[NH+](C)CC1 ZINC000246480012 536962743 /nfs/dbraw/zinc/96/27/43/536962743.db2.gz RNFUFGGBNKIVMW-ZWKOTPCHSA-N 2 2 351.539 1.138 10 0 FDAELP C[C@@H]([NH2+]C1(CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)CCOCC1)c1ccccc1 ZINC000263168246 536985917 /nfs/dbraw/zinc/98/59/17/536985917.db2.gz FLJXNLHEGYHGRI-GDBMZVCRSA-N 2 2 367.440 2.000 10 0 FDAELP CC1(C)C[N@@H+]([C@@H](CNC(=O)C2C[NH2+]C2)c2ccc(Cl)cc2)CCO1 ZINC000263317657 537016826 /nfs/dbraw/zinc/01/68/26/537016826.db2.gz QQYAFXLUZJKSMH-INIZCTEOSA-N 2 2 351.878 1.828 10 0 FDAELP CC1(C)C[N@H+]([C@@H](CNC(=O)C2C[NH2+]C2)c2ccc(Cl)cc2)CCO1 ZINC000263317657 537016829 /nfs/dbraw/zinc/01/68/29/537016829.db2.gz QQYAFXLUZJKSMH-INIZCTEOSA-N 2 2 351.878 1.828 10 0 FDAELP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000246991151 537064893 /nfs/dbraw/zinc/06/48/93/537064893.db2.gz PCCJGZXHAFMWAD-MSOLQXFVSA-N 2 2 359.518 1.717 10 0 FDAELP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000246991151 537064895 /nfs/dbraw/zinc/06/48/95/537064895.db2.gz PCCJGZXHAFMWAD-MSOLQXFVSA-N 2 2 359.518 1.717 10 0 FDAELP COCC[N@@H+]1CCN(C(=O)[C@H](C(C)C)[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000247185546 537091932 /nfs/dbraw/zinc/09/19/32/537091932.db2.gz RZLUWHYJFIMZJW-OWSLCNJRSA-N 2 2 355.523 1.299 10 0 FDAELP COCC[N@H+]1CCN(C(=O)[C@H](C(C)C)[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000247185546 537091935 /nfs/dbraw/zinc/09/19/35/537091935.db2.gz RZLUWHYJFIMZJW-OWSLCNJRSA-N 2 2 355.523 1.299 10 0 FDAELP C[C@H]1C[N@@H+]2CCC[C@H]2CN1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000247478256 537123327 /nfs/dbraw/zinc/12/33/27/537123327.db2.gz SKJPVJCBRNVINC-ROUUACIJSA-N 2 2 357.502 1.289 10 0 FDAELP C[C@H]1C[N@H+]2CCC[C@H]2CN1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000247478256 537123330 /nfs/dbraw/zinc/12/33/30/537123330.db2.gz SKJPVJCBRNVINC-ROUUACIJSA-N 2 2 357.502 1.289 10 0 FDAELP C[N@@H+](CC(=O)OC(C)(C)C)[C@H]1CCCN(c2cc[nH+]cc2C(N)=O)CC1 ZINC000192268692 537222561 /nfs/dbraw/zinc/22/25/61/537222561.db2.gz YPAAZHQPVIERNV-AWEZNQCLSA-N 2 2 362.474 1.813 10 0 FDAELP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000249130595 537231261 /nfs/dbraw/zinc/23/12/61/537231261.db2.gz CZEAADWJYQUEPF-YOEHRIQHSA-N 2 2 367.453 1.721 10 0 FDAELP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000249130595 537231263 /nfs/dbraw/zinc/23/12/63/537231263.db2.gz CZEAADWJYQUEPF-YOEHRIQHSA-N 2 2 367.453 1.721 10 0 FDAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N2CCOCC2)C1 ZINC000195251080 537379339 /nfs/dbraw/zinc/37/93/39/537379339.db2.gz FQZUATWSVNIZCI-HNNXBMFYSA-N 2 2 352.504 1.064 10 0 FDAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N2CCOCC2)C1 ZINC000195251080 537379348 /nfs/dbraw/zinc/37/93/48/537379348.db2.gz FQZUATWSVNIZCI-HNNXBMFYSA-N 2 2 352.504 1.064 10 0 FDAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC000195251080 537379359 /nfs/dbraw/zinc/37/93/59/537379359.db2.gz FQZUATWSVNIZCI-HNNXBMFYSA-N 2 2 352.504 1.064 10 0 FDAELP CC(C)CNC(=O)NC(=O)C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195278176 537387589 /nfs/dbraw/zinc/38/75/89/537387589.db2.gz XONUGBHJSJCUQA-QGZVFWFLSA-N 2 2 361.490 1.317 10 0 FDAELP CC(C)CNC(=O)NC(=O)C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195278176 537387601 /nfs/dbraw/zinc/38/76/01/537387601.db2.gz XONUGBHJSJCUQA-QGZVFWFLSA-N 2 2 361.490 1.317 10 0 FDAELP CC(C)CNC(=O)NC(=O)C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195278176 537387610 /nfs/dbraw/zinc/38/76/10/537387610.db2.gz XONUGBHJSJCUQA-QGZVFWFLSA-N 2 2 361.490 1.317 10 0 FDAELP CC(C)CNC(=O)NC(=O)C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195278176 537387613 /nfs/dbraw/zinc/38/76/13/537387613.db2.gz XONUGBHJSJCUQA-QGZVFWFLSA-N 2 2 361.490 1.317 10 0 FDAELP O=C([C@H]1CCCC[N@@H+]1Cc1ccccc1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000245431121 178357653 /nfs/dbraw/zinc/35/76/53/178357653.db2.gz NXEYLEJSHAEUFC-WOJBJXKFSA-N 2 2 357.498 1.974 10 0 FDAELP O=C([C@H]1CCCC[N@H+]1Cc1ccccc1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000245431121 178357654 /nfs/dbraw/zinc/35/76/54/178357654.db2.gz NXEYLEJSHAEUFC-WOJBJXKFSA-N 2 2 357.498 1.974 10 0 FDAELP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000245413938 178355400 /nfs/dbraw/zinc/35/54/00/178355400.db2.gz CIPUHEUJZFRTGR-AEFFLSMTSA-N 2 2 370.563 1.320 10 0 FDAELP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000245413938 178355401 /nfs/dbraw/zinc/35/54/01/178355401.db2.gz CIPUHEUJZFRTGR-AEFFLSMTSA-N 2 2 370.563 1.320 10 0 FDAELP C[C@H](O)C[N@@H+]1CCN(Cc2c[nH+]c3ccc(Br)cn23)C[C@@H]1C ZINC000245735211 178378471 /nfs/dbraw/zinc/37/84/71/178378471.db2.gz KOSBZGLIPZSPLP-STQMWFEESA-N 2 2 367.291 1.984 10 0 FDAELP C[C@H](O)C[N@H+]1CCN(Cc2c[nH+]c3ccc(Br)cn23)C[C@@H]1C ZINC000245735211 178378474 /nfs/dbraw/zinc/37/84/74/178378474.db2.gz KOSBZGLIPZSPLP-STQMWFEESA-N 2 2 367.291 1.984 10 0 FDAELP O=C(C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)NC(=O)NCc1ccccc1 ZINC000171646723 258266658 /nfs/dbraw/zinc/26/66/58/258266658.db2.gz NBXKWHRWNQUCCL-KRWDZBQOSA-N 2 2 367.453 1.841 10 0 FDAELP O=C(C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)NC(=O)NCc1ccccc1 ZINC000171646723 258266659 /nfs/dbraw/zinc/26/66/59/258266659.db2.gz NBXKWHRWNQUCCL-KRWDZBQOSA-N 2 2 367.453 1.841 10 0 FDAELP C[NH+]1CCN(c2nc[nH+]c(N3CCN(c4ccccc4)CC3)c2N)CC1 ZINC000040726134 136120186 /nfs/dbraw/zinc/12/01/86/136120186.db2.gz WBXRDTOQEXMDSU-UHFFFAOYSA-N 2 2 353.474 1.137 10 0 FDAELP C[NH+]1CCC(CNC(=O)N[C@H]2CCCC[C@H]2O)([NH+]2CCCCC2)CC1 ZINC000080493411 172174072 /nfs/dbraw/zinc/17/40/72/172174072.db2.gz YIUSSJQHOWIELA-DLBZAZTESA-N 2 2 352.523 1.539 10 0 FDAELP Cc1ccc([C@@H](CNC(=O)NC[C@H](C)[NH+]2CCOCC2)[NH+]2CCCC2)o1 ZINC000102038242 172344862 /nfs/dbraw/zinc/34/48/62/172344862.db2.gz AZTNZMMQQUSAGZ-DOTOQJQBSA-N 2 2 364.490 1.745 10 0 FDAELP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000177147206 174109658 /nfs/dbraw/zinc/10/96/58/174109658.db2.gz ZKRPKEKFFMIHNT-GOSISDBHSA-N 2 2 368.485 1.400 10 0 FDAELP COc1ccc([C@H](C)C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000180049888 258361436 /nfs/dbraw/zinc/36/14/36/258361436.db2.gz DRAICAWQVFEYOD-AEFFLSMTSA-N 2 2 361.486 1.321 10 0 FDAELP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173779369 258310244 /nfs/dbraw/zinc/31/02/44/258310244.db2.gz DPWVXPASCAKDEC-UXHICEINSA-N 2 2 372.513 1.940 10 0 FDAELP CNc1cc(N2CCC[C@@H]2CNC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)nc[nH+]1 ZINC000173961518 258315917 /nfs/dbraw/zinc/31/59/17/258315917.db2.gz BDZUVCIDTFWCAT-GOEBONIOSA-N 2 2 373.505 1.271 10 0 FDAELP CNc1cc(N2CCC[C@@H]2CNC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)nc[nH+]1 ZINC000173961518 258315918 /nfs/dbraw/zinc/31/59/18/258315918.db2.gz BDZUVCIDTFWCAT-GOEBONIOSA-N 2 2 373.505 1.271 10 0 FDAELP CNc1cc(N2CCC[C@@H]2CNC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)[nH+]cn1 ZINC000173961518 258315919 /nfs/dbraw/zinc/31/59/19/258315919.db2.gz BDZUVCIDTFWCAT-GOEBONIOSA-N 2 2 373.505 1.271 10 0 FDAELP CNc1cc(N2CCC[C@@H]2CNC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)[nH+]cn1 ZINC000173961518 258315920 /nfs/dbraw/zinc/31/59/20/258315920.db2.gz BDZUVCIDTFWCAT-GOEBONIOSA-N 2 2 373.505 1.271 10 0 FDAELP O=C(CN1CC[N@@H+]2CCC[C@@H]2C1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000178626121 258330321 /nfs/dbraw/zinc/33/03/21/258330321.db2.gz MSSSHQPBGLLPKK-LJQANCHMSA-N 2 2 358.486 1.237 10 0 FDAELP O=C(CN1CC[N@H+]2CCC[C@@H]2C1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000178626121 258330322 /nfs/dbraw/zinc/33/03/22/258330322.db2.gz MSSSHQPBGLLPKK-LJQANCHMSA-N 2 2 358.486 1.237 10 0 FDAELP CC[C@H]1CN(C(=O)NCc2cccnc2-n2cc[nH+]c2)CC[N@@H+]1C[C@H](C)O ZINC000248455936 258399704 /nfs/dbraw/zinc/39/97/04/258399704.db2.gz MSRFXWZVXOOGGD-RDJZCZTQSA-N 2 2 372.473 1.254 10 0 FDAELP CC[C@H]1CN(C(=O)NCc2cccnc2-n2cc[nH+]c2)CC[N@H+]1C[C@H](C)O ZINC000248455936 258399705 /nfs/dbraw/zinc/39/97/05/258399705.db2.gz MSRFXWZVXOOGGD-RDJZCZTQSA-N 2 2 372.473 1.254 10 0 FDAELP NC(=O)C[N@@H+]1CCc2ccc(NC(=O)N3CC[NH+]4CCC[C@H]4C3)cc2C1 ZINC000333443826 259348644 /nfs/dbraw/zinc/34/86/44/259348644.db2.gz MHSQYWITKYOCTH-KRWDZBQOSA-N 2 2 357.458 1.892 10 0 FDAELP NC(=O)C[N@H+]1CCc2ccc(NC(=O)N3CC[NH+]4CCC[C@H]4C3)cc2C1 ZINC000333443826 259348645 /nfs/dbraw/zinc/34/86/45/259348645.db2.gz MHSQYWITKYOCTH-KRWDZBQOSA-N 2 2 357.458 1.892 10 0 FDAELP NC(=O)C[NH+]1CCc2ccc(NC(=O)N3CC[N@H+]4CCC[C@H]4C3)cc2C1 ZINC000333443826 259348647 /nfs/dbraw/zinc/34/86/47/259348647.db2.gz MHSQYWITKYOCTH-KRWDZBQOSA-N 2 2 357.458 1.892 10 0 FDAELP O=C(NCc1ccc(N2CCCC2)[nH+]c1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000049173416 522818821 /nfs/dbraw/zinc/81/88/21/522818821.db2.gz FFTSEZPXMYJPER-QGZVFWFLSA-N 2 2 361.490 1.328 10 0 FDAELP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000066533960 523097796 /nfs/dbraw/zinc/09/77/96/523097796.db2.gz KMVOQRDNWNAFLF-QGZVFWFLSA-N 2 2 372.517 1.074 10 0 FDAELP CNc1cc(N2CCC[C@@H]2CNC(=O)NC[C@@H](C)[N@H+](C)C2CC2)nc[nH+]1 ZINC000174735830 524715252 /nfs/dbraw/zinc/71/52/52/524715252.db2.gz AEKZNFBTVRUKJC-UKRRQHHQSA-N 2 2 361.494 1.269 10 0 FDAELP CNc1cc(N2CCC[C@@H]2CNC(=O)NC[C@@H](C)[N@@H+](C)C2CC2)nc[nH+]1 ZINC000174735830 524715257 /nfs/dbraw/zinc/71/52/57/524715257.db2.gz AEKZNFBTVRUKJC-UKRRQHHQSA-N 2 2 361.494 1.269 10 0 FDAELP CNc1cc(N2CCC[C@@H]2CNC(=O)NC[C@@H](C)[N@H+](C)C2CC2)[nH+]cn1 ZINC000174735830 524715264 /nfs/dbraw/zinc/71/52/64/524715264.db2.gz AEKZNFBTVRUKJC-UKRRQHHQSA-N 2 2 361.494 1.269 10 0 FDAELP CNc1cc(N2CCC[C@@H]2CNC(=O)NC[C@@H](C)[N@@H+](C)C2CC2)[nH+]cn1 ZINC000174735830 524715277 /nfs/dbraw/zinc/71/52/77/524715277.db2.gz AEKZNFBTVRUKJC-UKRRQHHQSA-N 2 2 361.494 1.269 10 0 FDAELP CNc1cc(N2CCC[C@@H]2CNC(=O)NCC2CC[NH+](C)CC2)nc[nH+]1 ZINC000174746885 524723447 /nfs/dbraw/zinc/72/34/47/524723447.db2.gz CHEOQCLAYODXNL-OAHLLOKOSA-N 2 2 361.494 1.128 10 0 FDAELP CNc1cc(N2CCC[C@@H]2CNC(=O)NCC2CC[NH+](C)CC2)[nH+]cn1 ZINC000174746885 524723456 /nfs/dbraw/zinc/72/34/56/524723456.db2.gz CHEOQCLAYODXNL-OAHLLOKOSA-N 2 2 361.494 1.128 10 0 FDAELP C[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)[NH+]1CCOCC1 ZINC000114783400 524871646 /nfs/dbraw/zinc/87/16/46/524871646.db2.gz QLJFYRNFDQIBIW-PKOBYXMFSA-N 2 2 360.502 1.671 10 0 FDAELP C[C@@H](CNC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)[NH+]1CCOCC1 ZINC000114783400 524871657 /nfs/dbraw/zinc/87/16/57/524871657.db2.gz QLJFYRNFDQIBIW-PKOBYXMFSA-N 2 2 360.502 1.671 10 0 FDAELP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177776972 525345805 /nfs/dbraw/zinc/34/58/05/525345805.db2.gz IUQNLLPRBVYVBX-ZWKOTPCHSA-N 2 2 357.502 1.289 10 0 FDAELP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000177776972 525345811 /nfs/dbraw/zinc/34/58/11/525345811.db2.gz IUQNLLPRBVYVBX-ZWKOTPCHSA-N 2 2 357.502 1.289 10 0 FDAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](CCOc3ccc(F)cc3)CC2)C1 ZINC000106123755 525617589 /nfs/dbraw/zinc/61/75/89/525617589.db2.gz DHSYUQKRVYZTJZ-HXUWFJFHSA-N 2 2 365.493 1.931 10 0 FDAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](CCOc3ccc(F)cc3)CC2)C1 ZINC000106123755 525617597 /nfs/dbraw/zinc/61/75/97/525617597.db2.gz DHSYUQKRVYZTJZ-HXUWFJFHSA-N 2 2 365.493 1.931 10 0 FDAELP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000106913378 525823174 /nfs/dbraw/zinc/82/31/74/525823174.db2.gz RPHAWEYEAMBCCQ-NRFANRHFSA-N 3 2 372.557 1.834 10 0 FDAELP O=C(Cc1cn2ccccc2[nH+]1)NC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000119700332 525832732 /nfs/dbraw/zinc/83/27/32/525832732.db2.gz XKAYXXKEUNZEKO-IBGZPJMESA-N 2 2 364.449 1.412 10 0 FDAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C(N)=O)c2ccc(F)cc2)nc[nH+]1 ZINC000107303871 525864260 /nfs/dbraw/zinc/86/42/60/525864260.db2.gz JBSWECWMOCNJQE-PBHICJAKSA-N 2 2 358.421 1.442 10 0 FDAELP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3nnnn3C(C)C)CC2)CC1 ZINC000108873368 526037358 /nfs/dbraw/zinc/03/73/58/526037358.db2.gz SIYKMRTUBWHKHY-UHFFFAOYSA-N 2 2 363.510 1.020 10 0 FDAELP O=C(N[C@H](C[NH+]1CCOCC1)c1ccccc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000171597832 526043560 /nfs/dbraw/zinc/04/35/60/526043560.db2.gz XFEKDXNOFRMXTI-WOJBJXKFSA-N 2 2 372.513 1.940 10 0 FDAELP O=C(N[C@H](C[NH+]1CCOCC1)c1ccccc1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000171597832 526043574 /nfs/dbraw/zinc/04/35/74/526043574.db2.gz XFEKDXNOFRMXTI-WOJBJXKFSA-N 2 2 372.513 1.940 10 0 FDAELP O=C(N[C@H](Cc1ccccc1)C[NH+]1CCOCC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171781233 526120753 /nfs/dbraw/zinc/12/07/53/526120753.db2.gz VTIUWRWNUWZGJS-WOJBJXKFSA-N 2 2 372.513 1.420 10 0 FDAELP O=C(N[C@H](Cc1ccccc1)C[NH+]1CCOCC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171781233 526120763 /nfs/dbraw/zinc/12/07/63/526120763.db2.gz VTIUWRWNUWZGJS-WOJBJXKFSA-N 2 2 372.513 1.420 10 0 FDAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3C[C@@H](C)[C@H](N4CCOCC4)C3)c2cc1C ZINC000246506390 536969334 /nfs/dbraw/zinc/96/93/34/536969334.db2.gz QFCYWFSTBXTYDJ-DBXWQHBBSA-N 2 2 372.513 1.667 10 0 FDAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3C[C@@H](C)[C@H](N4CCOCC4)C3)c2cc1C ZINC000246506390 536969337 /nfs/dbraw/zinc/96/93/37/536969337.db2.gz QFCYWFSTBXTYDJ-DBXWQHBBSA-N 2 2 372.513 1.667 10 0 FDAELP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000246964241 537059525 /nfs/dbraw/zinc/05/95/25/537059525.db2.gz ITVGCCFLVVDHSS-BQFCYCMXSA-N 2 2 363.506 1.865 10 0 FDAELP COCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000248657736 537202131 /nfs/dbraw/zinc/20/21/31/537202131.db2.gz SUMFOSNUXDKRBO-CVEARBPZSA-N 2 2 368.547 1.746 10 0 FDAELP COCCCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000248657736 537202135 /nfs/dbraw/zinc/20/21/35/537202135.db2.gz SUMFOSNUXDKRBO-CVEARBPZSA-N 2 2 368.547 1.746 10 0 FDAELP COCCCNC(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000248657736 537202136 /nfs/dbraw/zinc/20/21/36/537202136.db2.gz SUMFOSNUXDKRBO-CVEARBPZSA-N 2 2 368.547 1.746 10 0 FDAELP COCCCNC(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000248657736 537202138 /nfs/dbraw/zinc/20/21/38/537202138.db2.gz SUMFOSNUXDKRBO-CVEARBPZSA-N 2 2 368.547 1.746 10 0 FDAELP CCOCC[N@@H+]1CCN(c2cc(N3CCSCC3)[nH+]cn2)C[C@H]1CC ZINC000192305661 537223078 /nfs/dbraw/zinc/22/30/78/537223078.db2.gz YPACEDPRBLHWGD-MRXNPFEDSA-N 2 2 365.547 1.967 10 0 FDAELP CCOCC[N@H+]1CCN(c2cc(N3CCSCC3)[nH+]cn2)C[C@H]1CC ZINC000192305661 537223079 /nfs/dbraw/zinc/22/30/79/537223079.db2.gz YPACEDPRBLHWGD-MRXNPFEDSA-N 2 2 365.547 1.967 10 0 FDAELP C[C@H]1C[NH+]=C(N2CCN(C(=O)c3ccn([C@H]4CCC[NH2+]C4)n3)CC2)S1 ZINC000262785271 537254764 /nfs/dbraw/zinc/25/47/64/537254764.db2.gz NSZSELRUKWTVEF-KBPBESRZSA-N 2 2 362.503 1.057 10 0 FDAELP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H]2CCC[NH+]2Cc2ccc(F)cc2)C[C@@H]1C ZINC000245415985 537656324 /nfs/dbraw/zinc/65/63/24/537656324.db2.gz HGIISAHFYHWWMJ-TXPKVOOTSA-N 2 2 363.477 1.704 10 0 FDAELP C[C@H](O)C[N@H+]1CCN(C(=O)[C@H]2CCC[NH+]2Cc2ccc(F)cc2)C[C@@H]1C ZINC000245415985 537656326 /nfs/dbraw/zinc/65/63/26/537656326.db2.gz HGIISAHFYHWWMJ-TXPKVOOTSA-N 2 2 363.477 1.704 10 0 FDAELP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)C[C@@H]1C ZINC000245415985 537656328 /nfs/dbraw/zinc/65/63/28/537656328.db2.gz HGIISAHFYHWWMJ-TXPKVOOTSA-N 2 2 363.477 1.704 10 0 FDAELP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)C[C@@H]1C ZINC000245415985 537656330 /nfs/dbraw/zinc/65/63/30/537656330.db2.gz HGIISAHFYHWWMJ-TXPKVOOTSA-N 2 2 363.477 1.704 10 0 FDAELP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccc(F)cc2)C[C@H]1C ZINC000245415983 537656351 /nfs/dbraw/zinc/65/63/51/537656351.db2.gz HGIISAHFYHWWMJ-GJYPPUQNSA-N 2 2 363.477 1.704 10 0 FDAELP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccc(F)cc2)C[C@H]1C ZINC000245415983 537656353 /nfs/dbraw/zinc/65/63/53/537656353.db2.gz HGIISAHFYHWWMJ-GJYPPUQNSA-N 2 2 363.477 1.704 10 0 FDAELP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)C[C@H]1C ZINC000245415983 537656355 /nfs/dbraw/zinc/65/63/55/537656355.db2.gz HGIISAHFYHWWMJ-GJYPPUQNSA-N 2 2 363.477 1.704 10 0 FDAELP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)C[C@H]1C ZINC000245415983 537656358 /nfs/dbraw/zinc/65/63/58/537656358.db2.gz HGIISAHFYHWWMJ-GJYPPUQNSA-N 2 2 363.477 1.704 10 0 FDAELP CC(C)[NH+]1CCN(CCCN2CC[NH+](C[C@H](O)c3ccccc3)CC2)CC1 ZINC000191482602 178058470 /nfs/dbraw/zinc/05/84/70/178058470.db2.gz WNTRDWDOOWRMDN-QFIPXVFZSA-N 2 2 374.573 1.754 10 0 FDAELP CCNC(=O)[C@@H]1C[C@@H](NC2CC[NH+](C)CC2)C[N@@H+]1C1Cc2ccccc2C1 ZINC000023358972 211383351 /nfs/dbraw/zinc/38/33/51/211383351.db2.gz UDUOQWIJWVRPKR-CTNGQTDRSA-N 2 2 370.541 1.417 10 0 FDAELP CCNC(=O)[C@@H]1C[C@@H](NC2CC[NH+](C)CC2)C[N@H+]1C1Cc2ccccc2C1 ZINC000023358972 211383353 /nfs/dbraw/zinc/38/33/53/211383353.db2.gz UDUOQWIJWVRPKR-CTNGQTDRSA-N 2 2 370.541 1.417 10 0 FDAELP C[N@H+](Cc1nccs1)[C@@H]1CC12CCN(C(=O)[C@H]1C[NH+](C)CCO1)CC2 ZINC000548024969 542531119 /nfs/dbraw/zinc/53/11/19/542531119.db2.gz JOLOHAKHRISFJZ-HUUCEWRRSA-N 2 2 364.515 1.287 10 0 FDAELP C[N@@H+](Cc1nccs1)[C@@H]1CC12CCN(C(=O)[C@H]1C[NH+](C)CCO1)CC2 ZINC000548024969 542531123 /nfs/dbraw/zinc/53/11/23/542531123.db2.gz JOLOHAKHRISFJZ-HUUCEWRRSA-N 2 2 364.515 1.287 10 0 FDAELP C[NH+](Cc1nccs1)[C@@H]1CC12CCN(C(=O)[C@H]1C[N@H+](C)CCO1)CC2 ZINC000548024969 542531126 /nfs/dbraw/zinc/53/11/26/542531126.db2.gz JOLOHAKHRISFJZ-HUUCEWRRSA-N 2 2 364.515 1.287 10 0 FDAELP C[NH+](Cc1nccs1)[C@@H]1CC12CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)CC2 ZINC000548024969 542531130 /nfs/dbraw/zinc/53/11/30/542531130.db2.gz JOLOHAKHRISFJZ-HUUCEWRRSA-N 2 2 364.515 1.287 10 0 FDAELP NC(=O)c1ccccc1NC(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171643748 258266949 /nfs/dbraw/zinc/26/69/49/258266949.db2.gz FZUPEACDPFFRFG-CQSZACIVSA-N 2 2 353.426 1.553 10 0 FDAELP NC(=O)c1ccccc1NC(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171643748 258266950 /nfs/dbraw/zinc/26/69/50/258266950.db2.gz FZUPEACDPFFRFG-CQSZACIVSA-N 2 2 353.426 1.553 10 0 FDAELP C[C@H]1C[N@@H+](C2CC[NH+](CCC(=O)Nc3ccc(C(N)=O)cc3)CC2)CCO1 ZINC000067400147 172009736 /nfs/dbraw/zinc/00/97/36/172009736.db2.gz UTJHVDVJXJEWSQ-HNNXBMFYSA-N 2 2 374.485 1.299 10 0 FDAELP C[C@H]1C[N@H+](C2CC[NH+](CCC(=O)Nc3ccc(C(N)=O)cc3)CC2)CCO1 ZINC000067400147 172009738 /nfs/dbraw/zinc/00/97/38/172009738.db2.gz UTJHVDVJXJEWSQ-HNNXBMFYSA-N 2 2 374.485 1.299 10 0 FDAELP C[C@@H](CNC(=O)NCCC[N@@H+]1CCc2ccccc2C1)[NH+]1CCOCC1 ZINC000078682271 172152776 /nfs/dbraw/zinc/15/27/76/172152776.db2.gz LLLWBSQWRRFFKJ-KRWDZBQOSA-N 2 2 360.502 1.455 10 0 FDAELP C[C@@H](CNC(=O)NCCC[N@H+]1CCc2ccccc2C1)[NH+]1CCOCC1 ZINC000078682271 172152778 /nfs/dbraw/zinc/15/27/78/172152778.db2.gz LLLWBSQWRRFFKJ-KRWDZBQOSA-N 2 2 360.502 1.455 10 0 FDAELP Cc1ccc([C@@H](CNC(=O)NC[C@@H]2C[N@H+](C)CCO2)[NH+]2CCCC2)o1 ZINC000104794958 172387127 /nfs/dbraw/zinc/38/71/27/172387127.db2.gz OSYPOCGJLPVVSQ-HZPDHXFCSA-N 2 2 350.463 1.355 10 0 FDAELP Cc1ccc([C@@H](CNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)[NH+]2CCCC2)o1 ZINC000104794958 172387128 /nfs/dbraw/zinc/38/71/28/172387128.db2.gz OSYPOCGJLPVVSQ-HZPDHXFCSA-N 2 2 350.463 1.355 10 0 FDAELP COc1cc[nH+]c(N2CC[NH+](C[C@@H](O)COCc3ccccc3)CC2)c1 ZINC000104963651 172392133 /nfs/dbraw/zinc/39/21/33/172392133.db2.gz PUKLEYFLLIWYJM-GOSISDBHSA-N 2 2 357.454 1.790 10 0 FDAELP C[C@H]1CN(C(=O)NCCc2cn3ccccc3[nH+]2)C[C@H]1[NH+]1CCOCC1 ZINC000175648210 174016917 /nfs/dbraw/zinc/01/69/17/174016917.db2.gz JYARHFZBJLISRV-DOTOQJQBSA-N 2 2 357.458 1.239 10 0 FDAELP C[C@@H]1CN(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)C[C@@H]1[NH+]1CCOCC1 ZINC000175659647 174017960 /nfs/dbraw/zinc/01/79/60/174017960.db2.gz YKSHIHHJSKOMTH-AEFFLSMTSA-N 2 2 373.501 1.544 10 0 FDAELP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000176899462 174093385 /nfs/dbraw/zinc/09/33/85/174093385.db2.gz HQFDXCJYKHRMJW-KRWDZBQOSA-N 2 2 355.442 1.754 10 0 FDAELP CC[N@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000176899462 174093386 /nfs/dbraw/zinc/09/33/86/174093386.db2.gz HQFDXCJYKHRMJW-KRWDZBQOSA-N 2 2 355.442 1.754 10 0 FDAELP CC(C)N1CCC[C@@H]([NH+]2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)C1=O ZINC000177710297 174153313 /nfs/dbraw/zinc/15/33/13/174153313.db2.gz SAONRVGMDFKKKI-RTBURBONSA-N 2 2 366.550 1.113 10 0 FDAELP CC(C)N1CCC[C@@H]([NH+]2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)C1=O ZINC000177710297 174153315 /nfs/dbraw/zinc/15/33/15/174153315.db2.gz SAONRVGMDFKKKI-RTBURBONSA-N 2 2 366.550 1.113 10 0 FDAELP C[NH+]1CCN(Cc2cccc(C(=O)N3CCC[C@@H]3Cn3cc[nH+]c3)c2)CC1 ZINC000177772716 174156071 /nfs/dbraw/zinc/15/60/71/174156071.db2.gz SJSWHTJUHWVFCA-HXUWFJFHSA-N 2 2 367.497 1.935 10 0 FDAELP C[N@H+](CCCNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)C1CCCCC1 ZINC000173769611 258309953 /nfs/dbraw/zinc/30/99/53/258309953.db2.gz AHFIBANDVIMZOW-GOSISDBHSA-N 2 2 352.523 1.757 10 0 FDAELP C[N@@H+](CCCNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)C1CCCCC1 ZINC000173769611 258309954 /nfs/dbraw/zinc/30/99/54/258309954.db2.gz AHFIBANDVIMZOW-GOSISDBHSA-N 2 2 352.523 1.757 10 0 FDAELP O=C(NCc1cccc(C[NH+]2CCCC2)c1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173775350 258310762 /nfs/dbraw/zinc/31/07/62/258310762.db2.gz GDIZHRNGLZLVCW-HXUWFJFHSA-N 2 2 372.513 1.899 10 0 FDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000178335140 258328564 /nfs/dbraw/zinc/32/85/64/258328564.db2.gz JJZUZTLFXOCBLP-WMZOPIPTSA-N 2 2 363.483 1.793 10 0 FDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000178335140 258328565 /nfs/dbraw/zinc/32/85/65/258328565.db2.gz JJZUZTLFXOCBLP-WMZOPIPTSA-N 2 2 363.483 1.793 10 0 FDAELP C[C@H]1CN(C(=O)c2ccc3nccnc3c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000329100186 259077573 /nfs/dbraw/zinc/07/75/73/259077573.db2.gz MLSXVNDQKPGRND-HNNXBMFYSA-N 2 2 353.470 1.870 10 0 FDAELP C[C@H]1CN(C(=O)c2ccc3nccnc3c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000329100186 259077574 /nfs/dbraw/zinc/07/75/74/259077574.db2.gz MLSXVNDQKPGRND-HNNXBMFYSA-N 2 2 353.470 1.870 10 0 FDAELP C[C@H]1CN(C(=O)c2cccc3c2OCC(=O)N3)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000329125537 259078781 /nfs/dbraw/zinc/07/87/81/259078781.db2.gz YBZPPFMVNKJKOM-AWEZNQCLSA-N 2 2 372.469 1.908 10 0 FDAELP C[C@H]1CN(C(=O)c2cccc3c2OCC(=O)N3)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000329125537 259078782 /nfs/dbraw/zinc/07/87/82/259078782.db2.gz YBZPPFMVNKJKOM-AWEZNQCLSA-N 2 2 372.469 1.908 10 0 FDAELP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2S(=O)(=O)N2CCOCC2)CC[N@@H+]1C ZINC000329183382 259082783 /nfs/dbraw/zinc/08/27/83/259082783.db2.gz PHGWHNLHSGORGX-RDJZCZTQSA-N 2 2 367.515 1.280 10 0 FDAELP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2S(=O)(=O)N2CCOCC2)CC[N@H+]1C ZINC000329183382 259082784 /nfs/dbraw/zinc/08/27/84/259082784.db2.gz PHGWHNLHSGORGX-RDJZCZTQSA-N 2 2 367.515 1.280 10 0 FDAELP C[C@@H]1C[N@@H+](C2CC[NH+](CCc3nnnn3-c3ccccc3)CC2)CCO1 ZINC000329205073 259084167 /nfs/dbraw/zinc/08/41/67/259084167.db2.gz WWGVWOHIIJEWSW-MRXNPFEDSA-N 2 2 356.474 1.390 10 0 FDAELP C[C@@H]1C[N@H+](C2CC[NH+](CCc3nnnn3-c3ccccc3)CC2)CCO1 ZINC000329205073 259084168 /nfs/dbraw/zinc/08/41/68/259084168.db2.gz WWGVWOHIIJEWSW-MRXNPFEDSA-N 2 2 356.474 1.390 10 0 FDAELP NC(=O)C[N@@H+]1CCc2ccc(NC(=O)N3CC[NH+]4CCC[C@@H]4C3)cc2C1 ZINC000333443830 259348317 /nfs/dbraw/zinc/34/83/17/259348317.db2.gz MHSQYWITKYOCTH-QGZVFWFLSA-N 2 2 357.458 1.892 10 0 FDAELP NC(=O)C[N@H+]1CCc2ccc(NC(=O)N3CC[NH+]4CCC[C@@H]4C3)cc2C1 ZINC000333443830 259348318 /nfs/dbraw/zinc/34/83/18/259348318.db2.gz MHSQYWITKYOCTH-QGZVFWFLSA-N 2 2 357.458 1.892 10 0 FDAELP NC(=O)C[NH+]1CCc2ccc(NC(=O)N3CC[N@H+]4CCC[C@@H]4C3)cc2C1 ZINC000333443830 259348320 /nfs/dbraw/zinc/34/83/20/259348320.db2.gz MHSQYWITKYOCTH-QGZVFWFLSA-N 2 2 357.458 1.892 10 0 FDAELP CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000333452444 259349438 /nfs/dbraw/zinc/34/94/38/259349438.db2.gz OAAZIQOMDTWQLS-IEZWGBDMSA-N 2 2 353.470 1.992 10 0 FDAELP CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000333452444 259349440 /nfs/dbraw/zinc/34/94/40/259349440.db2.gz OAAZIQOMDTWQLS-IEZWGBDMSA-N 2 2 353.470 1.992 10 0 FDAELP CC(C)C[C@H](C[NH+](C)C)NC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000079197499 523722431 /nfs/dbraw/zinc/72/24/31/523722431.db2.gz SPSRXLAUACTWJH-QGZVFWFLSA-N 2 2 363.506 1.694 10 0 FDAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](Cc3cc(C(N)=O)cs3)CC2)C1 ZINC000121067153 524141601 /nfs/dbraw/zinc/14/16/01/524141601.db2.gz QOKYPJTWAIJFGL-MRXNPFEDSA-N 2 2 366.531 1.074 10 0 FDAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](Cc3cc(C(N)=O)cs3)CC2)C1 ZINC000121067153 524141610 /nfs/dbraw/zinc/14/16/10/524141610.db2.gz QOKYPJTWAIJFGL-MRXNPFEDSA-N 2 2 366.531 1.074 10 0 FDAELP C[NH+](C)[C@@H]1CCN(C(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)C1 ZINC000111896505 524372497 /nfs/dbraw/zinc/37/24/97/524372497.db2.gz RMTBKANPBRIJTC-RTBURBONSA-N 2 2 360.502 1.275 10 0 FDAELP CCC[N@H+](CC)CCNC(=O)NC[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000175601057 524980109 /nfs/dbraw/zinc/98/01/09/524980109.db2.gz CUCAUOUQHZAUQN-HNNXBMFYSA-N 2 2 363.510 1.518 10 0 FDAELP CCC[N@@H+](CC)CCNC(=O)NC[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000175601057 524980119 /nfs/dbraw/zinc/98/01/19/524980119.db2.gz CUCAUOUQHZAUQN-HNNXBMFYSA-N 2 2 363.510 1.518 10 0 FDAELP CCC[N@H+](CC)CCNC(=O)NC[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000175601057 524980135 /nfs/dbraw/zinc/98/01/35/524980135.db2.gz CUCAUOUQHZAUQN-HNNXBMFYSA-N 2 2 363.510 1.518 10 0 FDAELP CCC[N@@H+](CC)CCNC(=O)NC[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000175601057 524980146 /nfs/dbraw/zinc/98/01/46/524980146.db2.gz CUCAUOUQHZAUQN-HNNXBMFYSA-N 2 2 363.510 1.518 10 0 FDAELP CCN(CC)c1ccc(CNC(=O)N2CC[N@H+](CCOC)[C@H](C)C2)c[nH+]1 ZINC000117476304 525344131 /nfs/dbraw/zinc/34/41/31/525344131.db2.gz MOMQJPASYZPPDN-MRXNPFEDSA-N 2 2 363.506 1.790 10 0 FDAELP CCN(CC)c1ccc(CNC(=O)N2CC[N@@H+](CCOC)[C@H](C)C2)c[nH+]1 ZINC000117476304 525344138 /nfs/dbraw/zinc/34/41/38/525344138.db2.gz MOMQJPASYZPPDN-MRXNPFEDSA-N 2 2 363.506 1.790 10 0 FDAELP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]1C[N@H+](C)CCO1)Cc1ccccc1 ZINC000104793144 525439289 /nfs/dbraw/zinc/43/92/89/525439289.db2.gz IVKPPLOEPWJUJA-MOPGFXCFSA-N 2 2 362.518 1.569 10 0 FDAELP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]1C[N@@H+](C)CCO1)Cc1ccccc1 ZINC000104793144 525439293 /nfs/dbraw/zinc/43/92/93/525439293.db2.gz IVKPPLOEPWJUJA-MOPGFXCFSA-N 2 2 362.518 1.569 10 0 FDAELP C[NH+](C)CCN(CCCc1ccccc1)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000105279879 525487087 /nfs/dbraw/zinc/48/70/87/525487087.db2.gz QHBOIZGXCJATRA-IBGZPJMESA-N 2 2 362.518 1.523 10 0 FDAELP C[NH+](C)CCN(CCCc1ccccc1)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000105279879 525487090 /nfs/dbraw/zinc/48/70/90/525487090.db2.gz QHBOIZGXCJATRA-IBGZPJMESA-N 2 2 362.518 1.523 10 0 FDAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+]([C@@H](C)C(=O)NC(C)(C)C)CC2)C1 ZINC000106122434 525617303 /nfs/dbraw/zinc/61/73/03/525617303.db2.gz OLLKXCGEOJPXMO-IRXDYDNUSA-N 2 2 354.539 1.016 10 0 FDAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+]([C@@H](C)C(=O)NC(C)(C)C)CC2)C1 ZINC000106122434 525617310 /nfs/dbraw/zinc/61/73/10/525617310.db2.gz OLLKXCGEOJPXMO-IRXDYDNUSA-N 2 2 354.539 1.016 10 0 FDAELP C[C@H](C(=O)NCc1ccccc1)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106130845 525623612 /nfs/dbraw/zinc/62/36/12/525623612.db2.gz AAHCDUWNARUYDX-GOSISDBHSA-N 2 2 369.513 1.984 10 0 FDAELP C[C@H](C(=O)NCc1ccccc1)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106130845 525623623 /nfs/dbraw/zinc/62/36/23/525623623.db2.gz AAHCDUWNARUYDX-GOSISDBHSA-N 2 2 369.513 1.984 10 0 FDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2C(N)=O)C1 ZINC000106214514 525675533 /nfs/dbraw/zinc/67/55/33/525675533.db2.gz JJCVTSSBNBACPR-CQSZACIVSA-N 2 2 355.442 1.820 10 0 FDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2C(N)=O)C1 ZINC000106214514 525675539 /nfs/dbraw/zinc/67/55/39/525675539.db2.gz JJCVTSSBNBACPR-CQSZACIVSA-N 2 2 355.442 1.820 10 0 FDAELP CC[NH+]1CCN(c2ccccc2NC(=O)NC[C@H]2C[N@H+](C)CCO2)CC1 ZINC000170708195 525689126 /nfs/dbraw/zinc/68/91/26/525689126.db2.gz OUGJBLHVTGMHLC-INIZCTEOSA-N 2 2 361.490 1.281 10 0 FDAELP CC[NH+]1CCN(c2ccccc2NC(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000170708195 525689135 /nfs/dbraw/zinc/68/91/35/525689135.db2.gz OUGJBLHVTGMHLC-INIZCTEOSA-N 2 2 361.490 1.281 10 0 FDAELP C[C@@H](C(=O)NCC(F)(F)F)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000155116282 525751669 /nfs/dbraw/zinc/75/16/69/525751669.db2.gz IXFDLAXUCDDHQM-ZDUSSCGKSA-N 2 2 361.412 1.346 10 0 FDAELP C[C@@H](C(=O)NCC(F)(F)F)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000155116282 525751677 /nfs/dbraw/zinc/75/16/77/525751677.db2.gz IXFDLAXUCDDHQM-ZDUSSCGKSA-N 2 2 361.412 1.346 10 0 FDAELP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)NC(=O)NC3CCCC3)C2)[nH+]1 ZINC000171652654 526060239 /nfs/dbraw/zinc/06/02/39/526060239.db2.gz GHPFNXNYVVZGBY-HNNXBMFYSA-N 2 2 359.474 1.892 10 0 FDAELP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)NC(=O)NC3CCCC3)C2)[nH+]1 ZINC000171652654 526060244 /nfs/dbraw/zinc/06/02/44/526060244.db2.gz GHPFNXNYVVZGBY-HNNXBMFYSA-N 2 2 359.474 1.892 10 0 FDAELP C[N@@H+]1CCO[C@H](CNC(=O)NC[C@@H]2CCC[NH+]2CC2CCCCC2)C1 ZINC000109149438 526081939 /nfs/dbraw/zinc/08/19/39/526081939.db2.gz HTWVSOPXKSTWIP-ZWKOTPCHSA-N 2 2 352.523 1.661 10 0 FDAELP C[N@H+]1CCO[C@H](CNC(=O)NC[C@@H]2CCC[NH+]2CC2CCCCC2)C1 ZINC000109149438 526081946 /nfs/dbraw/zinc/08/19/46/526081946.db2.gz HTWVSOPXKSTWIP-ZWKOTPCHSA-N 2 2 352.523 1.661 10 0 FDAELP C[NH+]1CCO[C@H](CNC(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)C1 ZINC000109149438 526081951 /nfs/dbraw/zinc/08/19/51/526081951.db2.gz HTWVSOPXKSTWIP-ZWKOTPCHSA-N 2 2 352.523 1.661 10 0 FDAELP C[NH+]1CCO[C@H](CNC(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)C1 ZINC000109149438 526081960 /nfs/dbraw/zinc/08/19/60/526081960.db2.gz HTWVSOPXKSTWIP-ZWKOTPCHSA-N 2 2 352.523 1.661 10 0 FDAELP C[C@H](CNC(=O)N(CC[NH+](C)C)CC1CCCCC1)[NH+]1CCOCC1 ZINC000156267722 526095368 /nfs/dbraw/zinc/09/53/68/526095368.db2.gz NTAOADKWIQMNBG-QGZVFWFLSA-N 2 2 354.539 1.861 10 0 FDAELP COc1ccc(C[NH+]2CCN(C(=O)C[NH2+][C@H](C)[C@@H]3CCCO3)CC2)cc1 ZINC000183144560 535927602 /nfs/dbraw/zinc/92/76/02/535927602.db2.gz LOPIIBRVKRODQT-APWZRJJASA-N 2 2 361.486 1.497 10 0 FDAELP CC[C@H]1CN(c2cc(N3CCCC[C@@H]3CO)[nH+]cn2)CC[N@@H+]1CCOC ZINC000183149032 535928128 /nfs/dbraw/zinc/92/81/28/535928128.db2.gz OVLGHJAVMRBOCI-DLBZAZTESA-N 2 2 363.506 1.375 10 0 FDAELP CC[C@H]1CN(c2cc(N3CCCC[C@@H]3CO)[nH+]cn2)CC[N@H+]1CCOC ZINC000183149032 535928131 /nfs/dbraw/zinc/92/81/31/535928131.db2.gz OVLGHJAVMRBOCI-DLBZAZTESA-N 2 2 363.506 1.375 10 0 FDAELP CC[C@H]1CN(C(=O)NCCn2c(C)[nH+]c3ccccc32)CC[N@@H+]1C[C@@H](C)O ZINC000184742908 536180815 /nfs/dbraw/zinc/18/08/15/536180815.db2.gz JLTRIZZXKAXXEY-WBVHZDCISA-N 2 2 373.501 1.831 10 0 FDAELP CC[C@H]1CN(C(=O)NCCn2c(C)[nH+]c3ccccc32)CC[N@H+]1C[C@@H](C)O ZINC000184742908 536180819 /nfs/dbraw/zinc/18/08/19/536180819.db2.gz JLTRIZZXKAXXEY-WBVHZDCISA-N 2 2 373.501 1.831 10 0 FDAELP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)cn1 ZINC000185578658 536212617 /nfs/dbraw/zinc/21/26/17/536212617.db2.gz IVRJEXDHTMKBBY-LSDHHAIUSA-N 2 2 372.473 1.172 10 0 FDAELP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)cn1 ZINC000185578658 536212618 /nfs/dbraw/zinc/21/26/18/536212618.db2.gz IVRJEXDHTMKBBY-LSDHHAIUSA-N 2 2 372.473 1.172 10 0 FDAELP CN1CC[NH2+]C[C@@H]1c1noc([C@H](c2ccccc2)[NH+]2CCSCC2)n1 ZINC000263143979 536981969 /nfs/dbraw/zinc/98/19/69/536981969.db2.gz CNCYJEQVWLSOFC-CVEARBPZSA-N 2 2 359.499 1.784 10 0 FDAELP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000263308862 537015123 /nfs/dbraw/zinc/01/51/23/537015123.db2.gz YHQXNZWDMBRSET-ONGXEEELSA-N 2 2 351.191 1.720 10 0 FDAELP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CC(F)(F)C[NH2+]3)C2)cc(OC)c1 ZINC000263317942 537016335 /nfs/dbraw/zinc/01/63/35/537016335.db2.gz ZTKRILXOQHAFPM-CZUORRHYSA-N 2 2 369.412 1.392 10 0 FDAELP COc1cc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3CC(F)(F)C[NH2+]3)C2)cc(OC)c1 ZINC000263317942 537016338 /nfs/dbraw/zinc/01/63/38/537016338.db2.gz ZTKRILXOQHAFPM-CZUORRHYSA-N 2 2 369.412 1.392 10 0 FDAELP C[C@@H]1C(=O)NCCC[N@H+]1Cc1ccc(C[NH+]2CCCNC(=O)[C@@H]2C)cc1 ZINC000189263901 537018217 /nfs/dbraw/zinc/01/82/17/537018217.db2.gz XOQTZBSDESRZID-IYBDPMFKSA-N 2 2 358.486 1.107 10 0 FDAELP C[C@@H]1C(=O)NCCC[N@@H+]1Cc1ccc(C[NH+]2CCCNC(=O)[C@@H]2C)cc1 ZINC000189263901 537018221 /nfs/dbraw/zinc/01/82/21/537018221.db2.gz XOQTZBSDESRZID-IYBDPMFKSA-N 2 2 358.486 1.107 10 0 FDAELP C[C@@H]1C(=O)NCCC[NH+]1Cc1ccc(C[N@@H+]2CCCNC(=O)[C@@H]2C)cc1 ZINC000189263901 537018225 /nfs/dbraw/zinc/01/82/25/537018225.db2.gz XOQTZBSDESRZID-IYBDPMFKSA-N 2 2 358.486 1.107 10 0 FDAELP C[C@@H]1C(=O)NCCC[NH+]1Cc1ccc(C[N@H+]2CCCNC(=O)[C@@H]2C)cc1 ZINC000189263901 537018230 /nfs/dbraw/zinc/01/82/30/537018230.db2.gz XOQTZBSDESRZID-IYBDPMFKSA-N 2 2 358.486 1.107 10 0 FDAELP C[C@H]1CCC[N@H+](CCCCNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000246834981 537036321 /nfs/dbraw/zinc/03/63/21/537036321.db2.gz DAXGPQOSCLUUGO-ZWKOTPCHSA-N 2 2 352.523 1.615 10 0 FDAELP C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000246834981 537036323 /nfs/dbraw/zinc/03/63/23/537036323.db2.gz DAXGPQOSCLUUGO-ZWKOTPCHSA-N 2 2 352.523 1.615 10 0 FDAELP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000247046161 537074134 /nfs/dbraw/zinc/07/41/34/537074134.db2.gz GUTBGQRXECETKO-RYRKJORJSA-N 2 2 368.547 1.072 10 0 FDAELP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000247046161 537074136 /nfs/dbraw/zinc/07/41/36/537074136.db2.gz GUTBGQRXECETKO-RYRKJORJSA-N 2 2 368.547 1.072 10 0 FDAELP CC[NH+]1CCN(C(=O)NC[C@H](c2cccs2)[N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000248358177 537173580 /nfs/dbraw/zinc/17/35/80/537173580.db2.gz QLTDKVYQIWNORN-JKSUJKDBSA-N 2 2 366.531 1.857 10 0 FDAELP CC[NH+]1CCN(C(=O)NC[C@H](c2cccs2)[N@H+]2CCO[C@@H](C)C2)CC1 ZINC000248358177 537173581 /nfs/dbraw/zinc/17/35/81/537173581.db2.gz QLTDKVYQIWNORN-JKSUJKDBSA-N 2 2 366.531 1.857 10 0 FDAELP O=C(C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)Nc1ccc(F)c(F)c1F ZINC000261874499 672686828 /nfs/dbraw/zinc/68/68/28/672686828.db2.gz DLSNGZHRLLWTRZ-SUHUHFCYSA-N 2 2 357.376 1.789 10 0 FDAELP CS(=O)(=O)Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261885236 672688791 /nfs/dbraw/zinc/68/87/91/672688791.db2.gz FSNCBTZAPVZVRI-RCCFBDPRSA-N 2 2 352.500 1.478 10 0 FDAELP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cccc(Br)c1OC(F)F ZINC000262179800 672741807 /nfs/dbraw/zinc/74/18/07/672741807.db2.gz WOYCLXNNODKRSO-MWLCHTKSSA-N 2 2 351.191 1.720 10 0 FDAELP CCOCCOc1ccc(Br)cc1C[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC000262191691 672743762 /nfs/dbraw/zinc/74/37/62/672743762.db2.gz YSAVXDODLHWMIT-DZGCQCFKSA-N 2 2 373.291 1.534 10 0 FDAELP CCCNC(=O)NC(=O)C[N@@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195257085 178250799 /nfs/dbraw/zinc/25/07/99/178250799.db2.gz PRRYWTPYHGONHS-CQSZACIVSA-N 2 2 367.519 1.441 10 0 FDAELP CCCNC(=O)NC(=O)C[N@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195257085 178250801 /nfs/dbraw/zinc/25/08/01/178250801.db2.gz PRRYWTPYHGONHS-CQSZACIVSA-N 2 2 367.519 1.441 10 0 FDAELP CCCNC(=O)NC(=O)C[NH+]1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195257085 178250803 /nfs/dbraw/zinc/25/08/03/178250803.db2.gz PRRYWTPYHGONHS-CQSZACIVSA-N 2 2 367.519 1.441 10 0 FDAELP CCCNC(=O)NC(=O)C[NH+]1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000195257085 178250804 /nfs/dbraw/zinc/25/08/04/178250804.db2.gz PRRYWTPYHGONHS-CQSZACIVSA-N 2 2 367.519 1.441 10 0 FDAELP CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000170941404 258266044 /nfs/dbraw/zinc/26/60/44/258266044.db2.gz VWMZUQHBWTVLFC-RCCFBDPRSA-N 2 2 354.539 1.016 10 0 FDAELP CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000170941404 258266045 /nfs/dbraw/zinc/26/60/45/258266045.db2.gz VWMZUQHBWTVLFC-RCCFBDPRSA-N 2 2 354.539 1.016 10 0 FDAELP O=C(C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)NCc1ccc2c(c1)OCO2 ZINC000171647672 258267115 /nfs/dbraw/zinc/26/71/15/258267115.db2.gz RNOPNPBGULYTIS-INIZCTEOSA-N 2 2 368.437 1.861 10 0 FDAELP O=C(C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)NCc1ccc2c(c1)OCO2 ZINC000171647672 258267116 /nfs/dbraw/zinc/26/71/16/258267116.db2.gz RNOPNPBGULYTIS-INIZCTEOSA-N 2 2 368.437 1.861 10 0 FDAELP C[NH+]1CCN(c2nc[nH+]c(N3CCN(c4ccccc4F)CC3)c2N)CC1 ZINC000040726425 136120076 /nfs/dbraw/zinc/12/00/76/136120076.db2.gz HZIYOMYNKWPTLK-UHFFFAOYSA-N 2 2 371.464 1.276 10 0 FDAELP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)NC[C@H](C)[NH+]3CCOCC3)c2C1 ZINC000067497069 172011077 /nfs/dbraw/zinc/01/10/77/172011077.db2.gz XEHAMNUCCNCJSM-HNNXBMFYSA-N 2 2 374.485 1.188 10 0 FDAELP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)NC[C@H](C)[NH+]3CCOCC3)c2C1 ZINC000067497069 172011080 /nfs/dbraw/zinc/01/10/80/172011080.db2.gz XEHAMNUCCNCJSM-HNNXBMFYSA-N 2 2 374.485 1.188 10 0 FDAELP C[C@@H](NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000074173928 172075212 /nfs/dbraw/zinc/07/52/12/172075212.db2.gz OKYXSPQEGFMDDH-WBVHZDCISA-N 2 2 369.469 1.460 10 0 FDAELP C[NH+]1CCC(CNC(=O)NC2CCC(O)CC2)([NH+]2CCCCC2)CC1 ZINC000080599394 172174992 /nfs/dbraw/zinc/17/49/92/172174992.db2.gz GBGZHIBVCAJJGG-UHFFFAOYSA-N 2 2 352.523 1.539 10 0 FDAELP C[C@@H]1CN(C(=O)NCCc2cn3ccccc3[nH+]2)C[C@H]1[NH+]1CCOCC1 ZINC000175648189 174016880 /nfs/dbraw/zinc/01/68/80/174016880.db2.gz JYARHFZBJLISRV-NVXWUHKLSA-N 2 2 357.458 1.239 10 0 FDAELP Cc1cccc2[nH+]c(CNC(=O)N3C[C@@H](C)[C@@H]([NH+]4CCOCC4)C3)cn21 ZINC000175773147 174026305 /nfs/dbraw/zinc/02/63/05/174026305.db2.gz PRKMVAFEUPLNBX-PBHICJAKSA-N 2 2 357.458 1.505 10 0 FDAELP Cc1cccc2[nH+]c(CNC(=O)N3C[C@@H](C)[C@H]([NH+]4CCOCC4)C3)cn21 ZINC000175773111 174026979 /nfs/dbraw/zinc/02/69/79/174026979.db2.gz PRKMVAFEUPLNBX-RHSMWYFYSA-N 2 2 357.458 1.505 10 0 FDAELP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2ccc(C(=O)N(C)C)[nH]2)nc[nH+]1 ZINC000176761935 174087074 /nfs/dbraw/zinc/08/70/74/174087074.db2.gz LSEXLUYPFQZRFM-CQSZACIVSA-N 2 2 357.462 1.307 10 0 FDAELP C[NH+](C)[C@@H](CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)c1cccs1 ZINC000173784366 258310217 /nfs/dbraw/zinc/31/02/17/258310217.db2.gz YOUDZUWZLMBBGA-CABCVRRESA-N 2 2 352.504 1.467 10 0 FDAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CC[C@H](N4CCOCC4)C3)c2cc1C ZINC000173932277 258314992 /nfs/dbraw/zinc/31/49/92/258314992.db2.gz GPIKBIPZWCGKFJ-ROUUACIJSA-N 2 2 358.486 1.421 10 0 FDAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CC[C@H](N4CCOCC4)C3)c2cc1C ZINC000173932277 258314993 /nfs/dbraw/zinc/31/49/93/258314993.db2.gz GPIKBIPZWCGKFJ-ROUUACIJSA-N 2 2 358.486 1.421 10 0 FDAELP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000179293349 258347704 /nfs/dbraw/zinc/34/77/04/258347704.db2.gz DCZNKTNGMJBMKX-FUHWJXTLSA-N 3 2 351.539 1.281 10 0 FDAELP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000179293349 258347705 /nfs/dbraw/zinc/34/77/05/258347705.db2.gz DCZNKTNGMJBMKX-FUHWJXTLSA-N 3 2 351.539 1.281 10 0 FDAELP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCO[C@H](c3nccs3)C2)CC1 ZINC000179315650 258348422 /nfs/dbraw/zinc/34/84/22/258348422.db2.gz XASJDADIJHSSGT-HNNXBMFYSA-N 2 2 367.519 1.252 10 0 FDAELP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000247169920 258398071 /nfs/dbraw/zinc/39/80/71/258398071.db2.gz RCWGFQOJZUDAJO-KZNAEPCWSA-N 2 2 352.523 1.471 10 0 FDAELP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000247169910 258398396 /nfs/dbraw/zinc/39/83/96/258398396.db2.gz RCWGFQOJZUDAJO-FGTMMUONSA-N 2 2 352.523 1.471 10 0 FDAELP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000247169910 258398397 /nfs/dbraw/zinc/39/83/97/258398397.db2.gz RCWGFQOJZUDAJO-FGTMMUONSA-N 2 2 352.523 1.471 10 0 FDAELP C[C@@H]1CN(C(=O)c2cccc3c2OCC(=O)N3)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000329125539 259079131 /nfs/dbraw/zinc/07/91/31/259079131.db2.gz YBZPPFMVNKJKOM-CQSZACIVSA-N 2 2 372.469 1.908 10 0 FDAELP C[C@@H]1CN(C(=O)c2cccc3c2OCC(=O)N3)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000329125539 259079132 /nfs/dbraw/zinc/07/91/32/259079132.db2.gz YBZPPFMVNKJKOM-CQSZACIVSA-N 2 2 372.469 1.908 10 0 FDAELP C[C@H]1CN(C(=O)C[C@@H]2CCCCNC2=O)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000329395894 259093752 /nfs/dbraw/zinc/09/37/52/259093752.db2.gz VUXAPDSQXNMOBY-HOTGVXAUSA-N 2 2 350.507 1.760 10 0 FDAELP C[C@H]1CN(C(=O)c2cc(=O)[nH]c(C3CC3)c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000329953160 259119210 /nfs/dbraw/zinc/11/92/10/259119210.db2.gz JEZWYHQPVCKYPY-AWEZNQCLSA-N 2 2 358.486 1.905 10 0 FDAELP C[C@H]1CN(C(=O)c2cc(=O)[nH]c(C3CC3)c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000329953160 259119211 /nfs/dbraw/zinc/11/92/11/259119211.db2.gz JEZWYHQPVCKYPY-AWEZNQCLSA-N 2 2 358.486 1.905 10 0 FDAELP C[N@H+](CCN1CCCS1(=O)=O)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000333089538 259307629 /nfs/dbraw/zinc/30/76/29/259307629.db2.gz ZGCVJPAOXFDCFN-IRXDYDNUSA-N 2 2 352.504 1.042 10 0 FDAELP C[N@@H+](CCN1CCCS1(=O)=O)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000333089538 259307631 /nfs/dbraw/zinc/30/76/31/259307631.db2.gz ZGCVJPAOXFDCFN-IRXDYDNUSA-N 2 2 352.504 1.042 10 0 FDAELP C[NH+](CCN1CCCS1(=O)=O)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000333089538 259307633 /nfs/dbraw/zinc/30/76/33/259307633.db2.gz ZGCVJPAOXFDCFN-IRXDYDNUSA-N 2 2 352.504 1.042 10 0 FDAELP C[NH+](CCN1CCCS1(=O)=O)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000333089538 259307634 /nfs/dbraw/zinc/30/76/34/259307634.db2.gz ZGCVJPAOXFDCFN-IRXDYDNUSA-N 2 2 352.504 1.042 10 0 FDAELP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000172057126 524104525 /nfs/dbraw/zinc/10/45/25/524104525.db2.gz CIOQHBINXCDGLG-SJORKVTESA-N 2 2 368.485 1.342 10 0 FDAELP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000172057126 524104531 /nfs/dbraw/zinc/10/45/31/524104531.db2.gz CIOQHBINXCDGLG-SJORKVTESA-N 2 2 368.485 1.342 10 0 FDAELP CCOCC[NH+]1CCN(C(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000111827286 524349167 /nfs/dbraw/zinc/34/91/67/524349167.db2.gz PHAAARSQOFOZTI-SFHVURJKSA-N 2 2 374.529 1.797 10 0 FDAELP CCOCC[NH+]1CCN(C(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000111827286 524349176 /nfs/dbraw/zinc/34/91/76/524349176.db2.gz PHAAARSQOFOZTI-SFHVURJKSA-N 2 2 374.529 1.797 10 0 FDAELP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000173616038 524423664 /nfs/dbraw/zinc/42/36/64/524423664.db2.gz MHZWAJRQGGNAIF-SFHVURJKSA-N 2 2 361.534 1.946 10 0 FDAELP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000113593231 524701054 /nfs/dbraw/zinc/70/10/54/524701054.db2.gz XZOQOTYYJMIPRG-RLLQIKCJSA-N 2 2 372.513 1.938 10 0 FDAELP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000113593231 524701060 /nfs/dbraw/zinc/70/10/60/524701060.db2.gz XZOQOTYYJMIPRG-RLLQIKCJSA-N 2 2 372.513 1.938 10 0 FDAELP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)CC1 ZINC000114456150 524804434 /nfs/dbraw/zinc/80/44/34/524804434.db2.gz YRJLVYRFRDOWKK-KRWDZBQOSA-N 3 2 359.518 1.804 10 0 FDAELP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)CC1 ZINC000114456150 524804445 /nfs/dbraw/zinc/80/44/45/524804445.db2.gz YRJLVYRFRDOWKK-KRWDZBQOSA-N 3 2 359.518 1.804 10 0 FDAELP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000115778800 525054199 /nfs/dbraw/zinc/05/41/99/525054199.db2.gz AENJHNOWJSLTJJ-UHFFFAOYSA-N 2 2 359.478 1.151 10 0 FDAELP NC(=O)C[NH+]1CCC(C(=O)N2CCC[C@H](c3[nH+]ccn3CC3CC3)C2)CC1 ZINC000095527158 525104078 /nfs/dbraw/zinc/10/40/78/525104078.db2.gz YLKBFROXNIKXMW-KRWDZBQOSA-N 2 2 373.501 1.196 10 0 FDAELP Cc1ccc([C@H](CNC(=O)C2CC[NH+](C)CC2)[NH+]2CCOCC2)s1 ZINC000177969299 525364873 /nfs/dbraw/zinc/36/48/73/525364873.db2.gz YJLXJNTVIUVGAT-INIZCTEOSA-N 2 2 351.516 1.888 10 0 FDAELP O=C([C@@H]1COCC[NH2+]1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000163370159 525397667 /nfs/dbraw/zinc/39/76/67/525397667.db2.gz HKKABLGXRUYUKS-FQEVSTJZSA-N 2 2 365.477 1.909 10 0 FDAELP C[N@@H+]1CCO[C@H](CNC(=O)N2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000105279098 525486940 /nfs/dbraw/zinc/48/69/40/525486940.db2.gz GCLPZKJJWDJKCC-GOSISDBHSA-N 2 2 360.502 1.623 10 0 FDAELP C[N@H+]1CCO[C@H](CNC(=O)N2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000105279098 525486948 /nfs/dbraw/zinc/48/69/48/525486948.db2.gz GCLPZKJJWDJKCC-GOSISDBHSA-N 2 2 360.502 1.623 10 0 FDAELP C[NH+]1CCO[C@H](CNC(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000105279098 525486953 /nfs/dbraw/zinc/48/69/53/525486953.db2.gz GCLPZKJJWDJKCC-GOSISDBHSA-N 2 2 360.502 1.623 10 0 FDAELP C[NH+]1CCO[C@H](CNC(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000105279098 525486957 /nfs/dbraw/zinc/48/69/57/525486957.db2.gz GCLPZKJJWDJKCC-GOSISDBHSA-N 2 2 360.502 1.623 10 0 FDAELP COC(=O)c1coc(C[NH+]2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)c1 ZINC000106120667 525612978 /nfs/dbraw/zinc/61/29/78/525612978.db2.gz MTIHTKAUJYZIAA-SFHVURJKSA-N 2 2 365.474 1.293 10 0 FDAELP COC(=O)c1coc(C[NH+]2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)c1 ZINC000106120667 525612986 /nfs/dbraw/zinc/61/29/86/525612986.db2.gz MTIHTKAUJYZIAA-SFHVURJKSA-N 2 2 365.474 1.293 10 0 FDAELP C[N@H+](Cc1cc(=O)n2ccsc2n1)C1CC[NH+](CCn2cccn2)CC1 ZINC000106130962 525624338 /nfs/dbraw/zinc/62/43/38/525624338.db2.gz FVBMJEAAKMKPSC-UHFFFAOYSA-N 2 2 372.498 1.549 10 0 FDAELP C[N@@H+](Cc1cc(=O)n2ccsc2n1)C1CC[NH+](CCn2cccn2)CC1 ZINC000106130962 525624346 /nfs/dbraw/zinc/62/43/46/525624346.db2.gz FVBMJEAAKMKPSC-UHFFFAOYSA-N 2 2 372.498 1.549 10 0 FDAELP Cn1cc[nH+]c1CC1CC[NH+](CC2=Nc3ccccc3S(=O)(=O)N2)CC1 ZINC000106163105 525646917 /nfs/dbraw/zinc/64/69/17/525646917.db2.gz AQHPSKBZNJPZLN-UHFFFAOYSA-N 2 2 373.482 1.697 10 0 FDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000106214985 525673798 /nfs/dbraw/zinc/67/37/98/525673798.db2.gz CUABGQIDJIJNHI-LLVKDONJSA-N 2 2 361.368 1.471 10 0 FDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000106214985 525673805 /nfs/dbraw/zinc/67/38/05/525673805.db2.gz CUABGQIDJIJNHI-LLVKDONJSA-N 2 2 361.368 1.471 10 0 FDAELP CCn1c(C)nnc1C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000130666159 525784262 /nfs/dbraw/zinc/78/42/62/525784262.db2.gz SRKUFUACFHHKAQ-UHFFFAOYSA-N 2 2 364.538 1.522 10 0 FDAELP CC[C@@H]1CN(C(=O)NCc2cn3c(cccc3C)[nH+]2)CC[N@@H+]1C[C@@H](C)O ZINC000181738255 525914428 /nfs/dbraw/zinc/91/44/28/525914428.db2.gz LIKUSBVFQAFDRD-NVXWUHKLSA-N 2 2 359.474 1.629 10 0 FDAELP CC[C@@H]1CN(C(=O)NCc2cn3c(cccc3C)[nH+]2)CC[N@H+]1C[C@@H](C)O ZINC000181738255 525914438 /nfs/dbraw/zinc/91/44/38/525914438.db2.gz LIKUSBVFQAFDRD-NVXWUHKLSA-N 2 2 359.474 1.629 10 0 FDAELP Cn1cc([C@H]2CCC[N@@H+]2CC(=O)N2CC[NH+](Cc3cccs3)CC2)cn1 ZINC000171504468 526016019 /nfs/dbraw/zinc/01/60/19/526016019.db2.gz KFESVXXDJIFRRW-GOSISDBHSA-N 2 2 373.526 1.963 10 0 FDAELP Cn1cc([C@H]2CCC[N@H+]2CC(=O)N2CC[NH+](Cc3cccs3)CC2)cn1 ZINC000171504468 526016026 /nfs/dbraw/zinc/01/60/26/526016026.db2.gz KFESVXXDJIFRRW-GOSISDBHSA-N 2 2 373.526 1.963 10 0 FDAELP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)C1 ZINC000246416521 536949545 /nfs/dbraw/zinc/94/95/45/536949545.db2.gz MIABPKCPDREWEY-WMLDXEAASA-N 2 2 369.469 1.871 10 0 FDAELP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)C1 ZINC000246416521 536949550 /nfs/dbraw/zinc/94/95/50/536949550.db2.gz MIABPKCPDREWEY-WMLDXEAASA-N 2 2 369.469 1.871 10 0 FDAELP C[C@H]([NH2+]CC(=O)N(C)Cc1cnn(C)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189900659 537112313 /nfs/dbraw/zinc/11/23/13/537112313.db2.gz YFEWDRRCKZHKCV-HNNXBMFYSA-N 2 2 352.442 1.915 10 0 FDAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+]([C@H](C)C(=O)Nc3ccccc3)CC2)C1 ZINC000247585207 537138301 /nfs/dbraw/zinc/13/83/01/537138301.db2.gz IYYNSGQVCTYUBO-QUCCMNQESA-N 2 2 374.529 1.740 10 0 FDAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+]([C@H](C)C(=O)Nc3ccccc3)CC2)C1 ZINC000247585207 537138304 /nfs/dbraw/zinc/13/83/04/537138304.db2.gz IYYNSGQVCTYUBO-QUCCMNQESA-N 2 2 374.529 1.740 10 0 FDAELP C[C@H](NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248404360 537177959 /nfs/dbraw/zinc/17/79/59/537177959.db2.gz QCMKTFYALIGFEI-JENIJYKNSA-N 2 2 364.534 1.756 10 0 FDAELP C[C@H](NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248404360 537177962 /nfs/dbraw/zinc/17/79/62/537177962.db2.gz QCMKTFYALIGFEI-JENIJYKNSA-N 2 2 364.534 1.756 10 0 FDAELP CCCC[N@@H+]1CCOC[C@H]1C(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C ZINC000248626426 537198455 /nfs/dbraw/zinc/19/84/55/537198455.db2.gz DUSOLYVPHHIMLF-MOPGFXCFSA-N 2 2 363.502 1.915 10 0 FDAELP CCCC[N@H+]1CCOC[C@H]1C(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C ZINC000248626426 537198457 /nfs/dbraw/zinc/19/84/57/537198457.db2.gz DUSOLYVPHHIMLF-MOPGFXCFSA-N 2 2 363.502 1.915 10 0 FDAELP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195262010 537380827 /nfs/dbraw/zinc/38/08/27/537380827.db2.gz VNKVWWLZNIOBTL-ZIAGYGMSSA-N 2 2 367.519 1.439 10 0 FDAELP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195262010 537380831 /nfs/dbraw/zinc/38/08/31/537380831.db2.gz VNKVWWLZNIOBTL-ZIAGYGMSSA-N 2 2 367.519 1.439 10 0 FDAELP CCNC(=O)NC(=O)[C@@H](C)[NH+]1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195262010 537380835 /nfs/dbraw/zinc/38/08/35/537380835.db2.gz VNKVWWLZNIOBTL-ZIAGYGMSSA-N 2 2 367.519 1.439 10 0 FDAELP CCNC(=O)NC(=O)[C@@H](C)[NH+]1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000195262010 537380838 /nfs/dbraw/zinc/38/08/38/537380838.db2.gz VNKVWWLZNIOBTL-ZIAGYGMSSA-N 2 2 367.519 1.439 10 0 FDAELP O=C(C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)Nc1ccc(F)c(F)c1F ZINC000261874497 672686484 /nfs/dbraw/zinc/68/64/84/672686484.db2.gz DLSNGZHRLLWTRZ-QKCSRTOESA-N 2 2 357.376 1.789 10 0 FDAELP CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[NH+]4C)CC2)C1 ZINC000245890757 178386854 /nfs/dbraw/zinc/38/68/54/178386854.db2.gz JISWSWUKJHAWDD-KAKFPZCNSA-N 3 2 363.550 1.423 10 0 FDAELP CC[NH+]1CCC[C@@H](NC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1 ZINC000245890757 178386859 /nfs/dbraw/zinc/38/68/59/178386859.db2.gz JISWSWUKJHAWDD-KAKFPZCNSA-N 3 2 363.550 1.423 10 0 FDAELP CNC(=O)[C@@H]1C[C@@H](NC2CC[NH+](Cc3ccccc3)CC2)C[N@@H+]1C(C)C ZINC000020387693 211276366 /nfs/dbraw/zinc/27/63/66/211276366.db2.gz BIPFPUVNEOGMKD-UXHICEINSA-N 2 2 358.530 1.838 10 0 FDAELP CNC(=O)[C@@H]1C[C@@H](NC2CC[NH+](Cc3ccccc3)CC2)C[N@H+]1C(C)C ZINC000020387693 211276370 /nfs/dbraw/zinc/27/63/70/211276370.db2.gz BIPFPUVNEOGMKD-UXHICEINSA-N 2 2 358.530 1.838 10 0 FDAELP O=C(C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)NC(=O)NCC(F)(F)F ZINC000171644538 258267083 /nfs/dbraw/zinc/26/70/83/258267083.db2.gz MWGAIPGJFMICGC-NSHDSACASA-N 2 2 359.352 1.204 10 0 FDAELP O=C(C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)NC(=O)NCC(F)(F)F ZINC000171644538 258267084 /nfs/dbraw/zinc/26/70/84/258267084.db2.gz MWGAIPGJFMICGC-NSHDSACASA-N 2 2 359.352 1.204 10 0 FDAELP CC[NH+](CC)CCCNC(=O)NC[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000173311549 258296114 /nfs/dbraw/zinc/29/61/14/258296114.db2.gz MHSWPWHTBJUBSV-OAHLLOKOSA-N 2 2 363.510 1.518 10 0 FDAELP CC[NH+](CC)CCCNC(=O)NC[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000173311549 258296115 /nfs/dbraw/zinc/29/61/15/258296115.db2.gz MHSWPWHTBJUBSV-OAHLLOKOSA-N 2 2 363.510 1.518 10 0 FDAELP C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000104797497 172386938 /nfs/dbraw/zinc/38/69/38/172386938.db2.gz MXHYLFQTDZAVQZ-GOSISDBHSA-N 2 2 364.465 1.374 10 0 FDAELP C[N@H+]1CCO[C@H](CNC(=O)N2CCC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000104797497 172386940 /nfs/dbraw/zinc/38/69/40/172386940.db2.gz MXHYLFQTDZAVQZ-GOSISDBHSA-N 2 2 364.465 1.374 10 0 FDAELP C[NH+]1CCO[C@H](CNC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)C1 ZINC000104797497 172386941 /nfs/dbraw/zinc/38/69/41/172386941.db2.gz MXHYLFQTDZAVQZ-GOSISDBHSA-N 2 2 364.465 1.374 10 0 FDAELP C[NH+]1CCO[C@H](CNC(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)C1 ZINC000104797497 172386943 /nfs/dbraw/zinc/38/69/43/172386943.db2.gz MXHYLFQTDZAVQZ-GOSISDBHSA-N 2 2 364.465 1.374 10 0 FDAELP Cc1ccc([C@@H](CNC(=O)NC[C@H]2C[N@H+](C)CCO2)[NH+]2CCCC2)o1 ZINC000104794962 172387056 /nfs/dbraw/zinc/38/70/56/172387056.db2.gz OSYPOCGJLPVVSQ-JKSUJKDBSA-N 2 2 350.463 1.355 10 0 FDAELP Cc1ccc([C@@H](CNC(=O)NC[C@H]2C[N@@H+](C)CCO2)[NH+]2CCCC2)o1 ZINC000104794962 172387057 /nfs/dbraw/zinc/38/70/57/172387057.db2.gz OSYPOCGJLPVVSQ-JKSUJKDBSA-N 2 2 350.463 1.355 10 0 FDAELP CC[N@@H+]1CCC[C@H]1CN(C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000175360412 174000841 /nfs/dbraw/zinc/00/08/41/174000841.db2.gz GFQGQYJITZWLQD-SFHVURJKSA-N 2 2 359.518 1.536 10 0 FDAELP CC[N@H+]1CCC[C@H]1CN(C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000175360412 174000843 /nfs/dbraw/zinc/00/08/43/174000843.db2.gz GFQGQYJITZWLQD-SFHVURJKSA-N 2 2 359.518 1.536 10 0 FDAELP CC(C)CC[NH+]1CCC(CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)CC1 ZINC000175775960 174027457 /nfs/dbraw/zinc/02/74/57/174027457.db2.gz SAGFHVCWVTVVLF-LJQANCHMSA-N 2 2 366.550 1.861 10 0 FDAELP C[C@@H]1CC[N@H+](C[C@H](O)CN2C(=O)c3ccccc3C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000179482183 258352207 /nfs/dbraw/zinc/35/22/07/258352207.db2.gz LPMFHGNQTKPFAA-VKJFTORMSA-N 2 2 368.437 1.423 10 0 FDAELP C[C@@H]1CC[N@@H+](C[C@H](O)CN2C(=O)c3ccccc3C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000179482183 258352208 /nfs/dbraw/zinc/35/22/08/258352208.db2.gz LPMFHGNQTKPFAA-VKJFTORMSA-N 2 2 368.437 1.423 10 0 FDAELP CC[C@@H]1CN(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC[N@@H+]1C[C@H](C)O ZINC000248449903 258399714 /nfs/dbraw/zinc/39/97/14/258399714.db2.gz FIRGKJXUCQUORY-YESZJQIVSA-N 2 2 361.490 1.147 10 0 FDAELP CC[C@@H]1CN(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC[N@H+]1C[C@H](C)O ZINC000248449903 258399715 /nfs/dbraw/zinc/39/97/15/258399715.db2.gz FIRGKJXUCQUORY-YESZJQIVSA-N 2 2 361.490 1.147 10 0 FDAELP Cn1nccc1[C@H]1[C@H]([NH2+]C2CC[NH+](Cc3cccnc3)CC2)CC(=O)N1C ZINC000328994714 259070939 /nfs/dbraw/zinc/07/09/39/259070939.db2.gz FCJFBGDNDRJGEZ-YLJYHZDGSA-N 2 2 368.485 1.341 10 0 FDAELP O=C(CN1CCC[N@@H+](C2CC2)CC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000061040696 522436629 /nfs/dbraw/zinc/43/66/29/522436629.db2.gz RXOQLCRMILKOGK-UHFFFAOYSA-N 2 2 372.513 1.627 10 0 FDAELP O=C(CN1CCC[N@H+](C2CC2)CC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000061040696 522436639 /nfs/dbraw/zinc/43/66/39/522436639.db2.gz RXOQLCRMILKOGK-UHFFFAOYSA-N 2 2 372.513 1.627 10 0 FDAELP CC[NH+]1CCN(c2ccc(C(=O)NC[C@@H](C)[NH+]3CCOCC3)cc2)CC1 ZINC000074199169 522712684 /nfs/dbraw/zinc/71/26/84/522712684.db2.gz KOLJQKMVQORYFM-QGZVFWFLSA-N 2 2 360.502 1.279 10 0 FDAELP CC[NH+]1CCN(c2ccc(C(=O)NC[C@H](C)[NH+]3CCOCC3)cc2)CC1 ZINC000074199170 522712759 /nfs/dbraw/zinc/71/27/59/522712759.db2.gz KOLJQKMVQORYFM-KRWDZBQOSA-N 2 2 360.502 1.279 10 0 FDAELP CCC(CC)[C@H](C(=O)N1CC[N@H+](CCOC)[C@H](CC)C1)[NH+]1CCOCC1 ZINC000173806885 524460093 /nfs/dbraw/zinc/46/00/93/524460093.db2.gz WHDKPQNXXYHMOA-RTBURBONSA-N 2 2 369.550 1.693 10 0 FDAELP CCC(CC)[C@H](C(=O)N1CC[N@@H+](CCOC)[C@H](CC)C1)[NH+]1CCOCC1 ZINC000173806885 524460099 /nfs/dbraw/zinc/46/00/99/524460099.db2.gz WHDKPQNXXYHMOA-RTBURBONSA-N 2 2 369.550 1.693 10 0 FDAELP Cc1cc(N2CCC[C@@H]([NH2+]Cc3c[nH+]c4c(C)cccn34)C2=O)n(C)n1 ZINC000173854462 524471185 /nfs/dbraw/zinc/47/11/85/524471185.db2.gz ZOKFLYVBHAIIOX-MRXNPFEDSA-N 2 2 352.442 1.970 10 0 FDAELP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000113582836 524698205 /nfs/dbraw/zinc/69/82/05/524698205.db2.gz YGCMWRRWCOLBIC-FXAWDEMLSA-N 2 2 372.513 1.897 10 0 FDAELP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000113582836 524698214 /nfs/dbraw/zinc/69/82/14/524698214.db2.gz YGCMWRRWCOLBIC-FXAWDEMLSA-N 2 2 372.513 1.897 10 0 FDAELP CCCC(=O)N[C@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000114456223 524804308 /nfs/dbraw/zinc/80/43/08/524804308.db2.gz QHIPQWVSJYSGOZ-KRWDZBQOSA-N 2 2 352.523 1.356 10 0 FDAELP CCCC(=O)N[C@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000114456223 524804317 /nfs/dbraw/zinc/80/43/17/524804317.db2.gz QHIPQWVSJYSGOZ-KRWDZBQOSA-N 2 2 352.523 1.356 10 0 FDAELP CCC[C@H](C(=O)OCC)[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000114802864 524880203 /nfs/dbraw/zinc/88/02/03/524880203.db2.gz IVQTUAGKHIUSCL-ZWKOTPCHSA-N 2 2 355.523 1.445 10 0 FDAELP CCC[C@H](C(=O)OCC)[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000114802864 524880209 /nfs/dbraw/zinc/88/02/09/524880209.db2.gz IVQTUAGKHIUSCL-ZWKOTPCHSA-N 2 2 355.523 1.445 10 0 FDAELP Cc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@H](C)[NH+]2CCOCC2)c1 ZINC000114926751 524916010 /nfs/dbraw/zinc/91/60/10/524916010.db2.gz HTDPOZFKJHFILN-SFHVURJKSA-N 2 2 362.518 1.789 10 0 FDAELP C[C@H](CNC(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1)[NH+]1CCOCC1 ZINC000175273192 524925763 /nfs/dbraw/zinc/92/57/63/524925763.db2.gz MAORBWYWBIYTRT-ZWKOTPCHSA-N 2 2 362.518 1.917 10 0 FDAELP C[C@H](CNC(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1)[NH+]1CCOCC1 ZINC000175273192 524925772 /nfs/dbraw/zinc/92/57/72/524925772.db2.gz MAORBWYWBIYTRT-ZWKOTPCHSA-N 2 2 362.518 1.917 10 0 FDAELP COCCC[N@H+](C)CCNC(=O)N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000175740475 524997161 /nfs/dbraw/zinc/99/71/61/524997161.db2.gz KXXSMOKAUURGJJ-UHFFFAOYSA-N 2 2 369.535 1.247 10 0 FDAELP COCCC[N@@H+](C)CCNC(=O)N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000175740475 524997172 /nfs/dbraw/zinc/99/71/72/524997172.db2.gz KXXSMOKAUURGJJ-UHFFFAOYSA-N 2 2 369.535 1.247 10 0 FDAELP C[C@@H](CNC(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1)[N@H+](C)C1CC1 ZINC000117045896 525276993 /nfs/dbraw/zinc/27/69/93/525276993.db2.gz SYXFMCBPOOZJOZ-QFBILLFUSA-N 2 2 360.502 1.530 10 0 FDAELP C[C@@H](CNC(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1)[N@@H+](C)C1CC1 ZINC000117045896 525276999 /nfs/dbraw/zinc/27/69/99/525276999.db2.gz SYXFMCBPOOZJOZ-QFBILLFUSA-N 2 2 360.502 1.530 10 0 FDAELP CC[N@@H+]1CCC[C@@H]1CN(C)[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000177710790 525334273 /nfs/dbraw/zinc/33/42/73/525334273.db2.gz FWZMQBNUSZFFLC-ZWKOTPCHSA-N 2 2 359.518 1.535 10 0 FDAELP CC[N@H+]1CCC[C@@H]1CN(C)[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000177710790 525334283 /nfs/dbraw/zinc/33/42/83/525334283.db2.gz FWZMQBNUSZFFLC-ZWKOTPCHSA-N 2 2 359.518 1.535 10 0 FDAELP CC[C@H]1CN(C(=O)NCCc2cn3ccccc3[nH+]2)CC[N@@H+]1CCOC ZINC000117473921 525344841 /nfs/dbraw/zinc/34/48/41/525344841.db2.gz FHZJNPVJSHIPHC-KRWDZBQOSA-N 2 2 359.474 1.629 10 0 FDAELP CC[C@H]1CN(C(=O)NCCc2cn3ccccc3[nH+]2)CC[N@H+]1CCOC ZINC000117473921 525344842 /nfs/dbraw/zinc/34/48/42/525344842.db2.gz FHZJNPVJSHIPHC-KRWDZBQOSA-N 2 2 359.474 1.629 10 0 FDAELP CNC(=O)[C@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C(C)C ZINC000178404098 525421041 /nfs/dbraw/zinc/42/10/41/525421041.db2.gz VQOAZKMWKDECBD-MRXNPFEDSA-N 2 2 367.538 1.007 10 0 FDAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2C(N)=O)C1 ZINC000106214517 525674530 /nfs/dbraw/zinc/67/45/30/525674530.db2.gz JJCVTSSBNBACPR-AWEZNQCLSA-N 2 2 355.442 1.820 10 0 FDAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2C(N)=O)C1 ZINC000106214517 525674535 /nfs/dbraw/zinc/67/45/35/525674535.db2.gz JJCVTSSBNBACPR-AWEZNQCLSA-N 2 2 355.442 1.820 10 0 FDAELP COC(=O)N[C@@H](C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(C)C ZINC000108263719 525943081 /nfs/dbraw/zinc/94/30/81/525943081.db2.gz JLISWWTZXOBBBE-MRXNPFEDSA-N 2 2 354.495 1.042 10 0 FDAELP CC[C@@H]1CN(C(=O)NCc2cccnc2-n2cc[nH+]c2)CC[N@@H+]1C[C@@H](C)O ZINC000184823846 536185957 /nfs/dbraw/zinc/18/59/57/536185957.db2.gz MSRFXWZVXOOGGD-NVXWUHKLSA-N 2 2 372.473 1.254 10 0 FDAELP CC[C@@H]1CN(C(=O)NCc2cccnc2-n2cc[nH+]c2)CC[N@H+]1C[C@@H](C)O ZINC000184823846 536185958 /nfs/dbraw/zinc/18/59/58/536185958.db2.gz MSRFXWZVXOOGGD-NVXWUHKLSA-N 2 2 372.473 1.254 10 0 FDAELP CC[C@@H]1CN(C(=O)NCc2ccccc2-n2cc[nH+]c2)CC[N@@H+]1C[C@@H](C)O ZINC000184953632 536193682 /nfs/dbraw/zinc/19/36/82/536193682.db2.gz BJSSTNLWOGFVQU-SJLPKXTDSA-N 2 2 371.485 1.859 10 0 FDAELP CC[C@@H]1CN(C(=O)NCc2ccccc2-n2cc[nH+]c2)CC[N@H+]1C[C@@H](C)O ZINC000184953632 536193684 /nfs/dbraw/zinc/19/36/84/536193684.db2.gz BJSSTNLWOGFVQU-SJLPKXTDSA-N 2 2 371.485 1.859 10 0 FDAELP O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246355248 536933918 /nfs/dbraw/zinc/93/39/18/536933918.db2.gz DORVLDGEPWBFMQ-WMZOPIPTSA-N 2 2 368.547 1.074 10 0 FDAELP O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000246355248 536933922 /nfs/dbraw/zinc/93/39/22/536933922.db2.gz DORVLDGEPWBFMQ-WMZOPIPTSA-N 2 2 368.547 1.074 10 0 FDAELP C[C@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C(=O)N(C)CC(=O)NC1CC1 ZINC000189895608 537112015 /nfs/dbraw/zinc/11/20/15/537112015.db2.gz LFTCPKOBBWFBEL-GJZGRUSLSA-N 2 2 369.469 1.648 10 0 FDAELP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000249020964 537225171 /nfs/dbraw/zinc/22/51/71/537225171.db2.gz QOXDGUQITXQRBL-RBUKOAKNSA-N 2 2 362.518 1.773 10 0 FDAELP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000249020964 537225173 /nfs/dbraw/zinc/22/51/73/537225173.db2.gz QOXDGUQITXQRBL-RBUKOAKNSA-N 2 2 362.518 1.773 10 0 FDAELP CC(C)[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000249020964 537225177 /nfs/dbraw/zinc/22/51/77/537225177.db2.gz QOXDGUQITXQRBL-RBUKOAKNSA-N 2 2 362.518 1.773 10 0 FDAELP CC(C)C[C@H](C[NH+](C)C)NC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000193948163 537257370 /nfs/dbraw/zinc/25/73/70/537257370.db2.gz XLLGLVOMESDYHO-MRXNPFEDSA-N 2 2 357.458 1.903 10 0 FDAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](c2ncc[nH]2)c2cccnc2)nc[nH+]1 ZINC000195067238 178237978 /nfs/dbraw/zinc/23/79/78/178237978.db2.gz ARSDARIMIJITKY-QAPCUYQASA-N 2 2 364.457 1.984 10 0 FDAELP C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000246834959 178455188 /nfs/dbraw/zinc/45/51/88/178455188.db2.gz DAXGPQOSCLUUGO-QZTJIDSGSA-N 2 2 352.523 1.615 10 0 FDAELP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000246834959 178455190 /nfs/dbraw/zinc/45/51/90/178455190.db2.gz DAXGPQOSCLUUGO-QZTJIDSGSA-N 2 2 352.523 1.615 10 0 FDAELP O=C(NCc1ccc[nH+]c1N1CCOCC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000105118614 172395363 /nfs/dbraw/zinc/39/53/63/172395363.db2.gz JBYYGMSBZCRVDG-KRWDZBQOSA-N 2 2 359.474 1.298 10 0 FDAELP O=C(NCc1ccc[nH+]c1N1CCOCC1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000105118614 172395366 /nfs/dbraw/zinc/39/53/66/172395366.db2.gz JBYYGMSBZCRVDG-KRWDZBQOSA-N 2 2 359.474 1.298 10 0 FDAELP O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000176503180 174074207 /nfs/dbraw/zinc/07/42/07/174074207.db2.gz WTMKTOPQKJPXDB-LJQANCHMSA-N 2 2 364.534 1.900 10 0 FDAELP C[C@H]1C[N@@H+]([C@@H](CNC(=O)NC2CC[NH+](C)CC2)c2cccs2)CCO1 ZINC000178444203 174187945 /nfs/dbraw/zinc/18/79/45/174187945.db2.gz OSJJPDUEFBGRJG-HOCLYGCPSA-N 2 2 366.531 1.903 10 0 FDAELP C[C@H]1C[N@H+]([C@@H](CNC(=O)NC2CC[NH+](C)CC2)c2cccs2)CCO1 ZINC000178444203 174187948 /nfs/dbraw/zinc/18/79/48/174187948.db2.gz OSJJPDUEFBGRJG-HOCLYGCPSA-N 2 2 366.531 1.903 10 0 FDAELP CC(=O)N1CCC(NC(=O)C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000180671353 258373004 /nfs/dbraw/zinc/37/30/04/258373004.db2.gz ZVQRMRKWMPLUKK-OAHLLOKOSA-N 2 2 369.469 1.650 10 0 FDAELP CCN(CC)c1ccc(CNC(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)c[nH+]1 ZINC000180754223 258374142 /nfs/dbraw/zinc/37/41/42/258374142.db2.gz NDVFEBOARCZDRD-HZPDHXFCSA-N 2 2 363.506 1.524 10 0 FDAELP CCN(CC)c1ccc(CNC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)c[nH+]1 ZINC000180754223 258374143 /nfs/dbraw/zinc/37/41/43/258374143.db2.gz NDVFEBOARCZDRD-HZPDHXFCSA-N 2 2 363.506 1.524 10 0 FDAELP O=C(NCc1ccccc1C[NH+]1CCCC1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173766658 258310045 /nfs/dbraw/zinc/31/00/45/258310045.db2.gz SNNZXGFPEJNESK-HXUWFJFHSA-N 2 2 372.513 1.899 10 0 FDAELP O=C(NC1CC[NH+](CC2CCCC2)CC1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173796534 258311127 /nfs/dbraw/zinc/31/11/27/258311127.db2.gz XWLURHHSPIISAJ-LJQANCHMSA-N 2 2 364.534 1.757 10 0 FDAELP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000173790897 258311199 /nfs/dbraw/zinc/31/11/99/258311199.db2.gz WKHTWQIZLIBFJR-IRXDYDNUSA-N 2 2 352.523 1.613 10 0 FDAELP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000173790897 258311200 /nfs/dbraw/zinc/31/12/00/258311200.db2.gz WKHTWQIZLIBFJR-IRXDYDNUSA-N 2 2 352.523 1.613 10 0 FDAELP O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173978945 258316377 /nfs/dbraw/zinc/31/63/77/258316377.db2.gz JEIDUKUDNMCPAI-PMACEKPBSA-N 2 2 373.497 1.211 10 0 FDAELP O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173978945 258316378 /nfs/dbraw/zinc/31/63/78/258316378.db2.gz JEIDUKUDNMCPAI-PMACEKPBSA-N 2 2 373.497 1.211 10 0 FDAELP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC000333264827 259327808 /nfs/dbraw/zinc/32/78/08/259327808.db2.gz JJCBRLIBBRUXNI-CEXWTWQISA-N 2 2 365.518 1.232 10 0 FDAELP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC000333264827 259327810 /nfs/dbraw/zinc/32/78/10/259327810.db2.gz JJCBRLIBBRUXNI-CEXWTWQISA-N 2 2 365.518 1.232 10 0 FDAELP O=C(C[N@@H+]1CCC[C@H](c2nnc[nH]2)C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000333346030 259337279 /nfs/dbraw/zinc/33/72/79/259337279.db2.gz UREARYXYLKRJQU-INIZCTEOSA-N 2 2 374.514 1.390 10 0 FDAELP O=C(C[N@H+]1CCC[C@H](c2nnc[nH]2)C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000333346030 259337280 /nfs/dbraw/zinc/33/72/80/259337280.db2.gz UREARYXYLKRJQU-INIZCTEOSA-N 2 2 374.514 1.390 10 0 FDAELP CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)N[C@H]2CC[C@H]([NH+](C)C)C2)C1 ZINC000333462739 259350605 /nfs/dbraw/zinc/35/06/05/259350605.db2.gz PWKUUGLENYDXQX-HRCADAONSA-N 2 2 361.490 1.793 10 0 FDAELP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H]3COc4ccccc43)CC2)CC1 ZINC000051300940 523007343 /nfs/dbraw/zinc/00/73/43/523007343.db2.gz XPGLGRXXGBIEKT-GOSISDBHSA-N 2 2 358.486 1.978 10 0 FDAELP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000172145908 524135397 /nfs/dbraw/zinc/13/53/97/524135397.db2.gz XXYZVUJXGOYFFO-MRXNPFEDSA-N 2 2 373.505 1.479 10 0 FDAELP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000172145908 524135405 /nfs/dbraw/zinc/13/54/05/524135405.db2.gz XXYZVUJXGOYFFO-MRXNPFEDSA-N 2 2 373.505 1.479 10 0 FDAELP COCC[N@@H+]1CCN(C(=O)NCCn2c(C)[nH+]c3ccccc32)C[C@@H]1C ZINC000172322833 524201996 /nfs/dbraw/zinc/20/19/96/524201996.db2.gz UCYKSEBBPBNXTQ-HNNXBMFYSA-N 2 2 359.474 1.707 10 0 FDAELP COCC[N@H+]1CCN(C(=O)NCCn2c(C)[nH+]c3ccccc32)C[C@@H]1C ZINC000172322833 524202001 /nfs/dbraw/zinc/20/20/01/524202001.db2.gz UCYKSEBBPBNXTQ-HNNXBMFYSA-N 2 2 359.474 1.707 10 0 FDAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000111228282 524224431 /nfs/dbraw/zinc/22/44/31/524224431.db2.gz JFHHUUPGCZOASQ-FQEVSTJZSA-N 2 2 359.514 1.848 10 0 FDAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000111228282 524224438 /nfs/dbraw/zinc/22/44/38/524224438.db2.gz JFHHUUPGCZOASQ-FQEVSTJZSA-N 2 2 359.514 1.848 10 0 FDAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H]2CCN(CC(F)(F)F)C2=O)nc[nH+]1 ZINC000111227141 524225019 /nfs/dbraw/zinc/22/50/19/524225019.db2.gz OJFHCWIPHMMEBD-NWDGAFQWSA-N 2 2 372.395 1.240 10 0 FDAELP CCC[C@H](C(=O)N1CC[NH+](CCOc2cccc(OC)c2)CC1)[NH+](C)C ZINC000158007625 524381971 /nfs/dbraw/zinc/38/19/71/524381971.db2.gz UXRDJHQUIDBHCI-LJQANCHMSA-N 2 2 363.502 1.949 10 0 FDAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000122911612 524641849 /nfs/dbraw/zinc/64/18/49/524641849.db2.gz AGAZWTOCMMVAMK-SFHVURJKSA-N 3 2 369.517 1.824 10 0 FDAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000122911612 524641860 /nfs/dbraw/zinc/64/18/60/524641860.db2.gz AGAZWTOCMMVAMK-SFHVURJKSA-N 3 2 369.517 1.824 10 0 FDAELP CCc1nccn1[C@H]1CCC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000122911612 524641871 /nfs/dbraw/zinc/64/18/71/524641871.db2.gz AGAZWTOCMMVAMK-SFHVURJKSA-N 2 2 369.517 1.824 10 0 FDAELP CCc1nccn1[C@H]1CCC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000122911612 524641882 /nfs/dbraw/zinc/64/18/82/524641882.db2.gz AGAZWTOCMMVAMK-SFHVURJKSA-N 2 2 369.517 1.824 10 0 FDAELP OC[C@H]1CCCN1c1cc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)nc[nH+]1 ZINC000123057405 524671008 /nfs/dbraw/zinc/67/10/08/524671008.db2.gz RZLOLULUSLPILC-DOTOQJQBSA-N 2 2 361.490 1.351 10 0 FDAELP OC[C@H]1CCCN1c1cc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)[nH+]cn1 ZINC000123057405 524671014 /nfs/dbraw/zinc/67/10/14/524671014.db2.gz RZLOLULUSLPILC-DOTOQJQBSA-N 2 2 361.490 1.351 10 0 FDAELP C[NH+](C)C[C@H]1CC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000113512133 524692591 /nfs/dbraw/zinc/69/25/91/524692591.db2.gz YPKIOFPAMZYVPI-HXUWFJFHSA-N 3 2 358.530 1.782 10 0 FDAELP C[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000113512133 524692598 /nfs/dbraw/zinc/69/25/98/524692598.db2.gz YPKIOFPAMZYVPI-HXUWFJFHSA-N 3 2 358.530 1.782 10 0 FDAELP Cc1cnn(CCNC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1 ZINC000175039210 524846891 /nfs/dbraw/zinc/84/68/91/524846891.db2.gz NZWIUIJSOPNASX-UHFFFAOYSA-N 2 2 362.522 1.441 10 0 FDAELP C[NH+](C)[C@H]1CCN(C(=O)C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000124111778 524905732 /nfs/dbraw/zinc/90/57/32/524905732.db2.gz KASMJSVEUUETMJ-HNNXBMFYSA-N 2 2 354.410 1.975 10 0 FDAELP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC000115821937 525068091 /nfs/dbraw/zinc/06/80/91/525068091.db2.gz WKFNGYQJMHBUDS-CQSZACIVSA-N 2 2 362.522 1.347 10 0 FDAELP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC000115821937 525068100 /nfs/dbraw/zinc/06/81/00/525068100.db2.gz WKFNGYQJMHBUDS-CQSZACIVSA-N 2 2 362.522 1.347 10 0 FDAELP Cc1nc(C[NH+]2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)sc1C ZINC000176359500 525088117 /nfs/dbraw/zinc/08/81/17/525088117.db2.gz OWBPMDNIEPHYCP-KRWDZBQOSA-N 2 2 352.548 1.987 10 0 FDAELP Cc1nc(C[NH+]2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)sc1C ZINC000176359500 525088128 /nfs/dbraw/zinc/08/81/28/525088128.db2.gz OWBPMDNIEPHYCP-KRWDZBQOSA-N 2 2 352.548 1.987 10 0 FDAELP CCC[C@@H](C(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1)[NH+](C)C ZINC000162345189 525246100 /nfs/dbraw/zinc/24/61/00/525246100.db2.gz DCBSTKZULIAQHT-IBGZPJMESA-N 2 2 362.518 1.982 10 0 FDAELP Cc1ccc(NC(=O)NC[C@H](C)[NH+]2CCOCC2)c(OCC[NH+](C)C)c1 ZINC000154580637 525580642 /nfs/dbraw/zinc/58/06/42/525580642.db2.gz XFCSTOPQWZURPL-INIZCTEOSA-N 2 2 364.490 1.778 10 0 FDAELP C[N@@H+]1CCO[C@H](CNC(=O)NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000170921462 525770883 /nfs/dbraw/zinc/77/08/83/525770883.db2.gz ZBMRAKIUDGKOGV-LJQANCHMSA-N 2 2 360.502 1.323 10 0 FDAELP C[N@H+]1CCO[C@H](CNC(=O)NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000170921462 525770884 /nfs/dbraw/zinc/77/08/84/525770884.db2.gz ZBMRAKIUDGKOGV-LJQANCHMSA-N 2 2 360.502 1.323 10 0 FDAELP CCOC(=O)[C@@H](CC(C)C)[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000182138752 526069623 /nfs/dbraw/zinc/06/96/23/526069623.db2.gz VFHODITZJMXJER-RTBURBONSA-N 2 2 369.550 1.691 10 0 FDAELP CCOC(=O)[C@@H](CC(C)C)[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000182138752 526069630 /nfs/dbraw/zinc/06/96/30/526069630.db2.gz VFHODITZJMXJER-RTBURBONSA-N 2 2 369.550 1.691 10 0 FDAELP C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@@H]2CCC[NH+]2CC2CCCCC2)C1 ZINC000109149439 526081756 /nfs/dbraw/zinc/08/17/56/526081756.db2.gz HTWVSOPXKSTWIP-ROUUACIJSA-N 2 2 352.523 1.661 10 0 FDAELP C[N@H+]1CCO[C@@H](CNC(=O)NC[C@@H]2CCC[NH+]2CC2CCCCC2)C1 ZINC000109149439 526081762 /nfs/dbraw/zinc/08/17/62/526081762.db2.gz HTWVSOPXKSTWIP-ROUUACIJSA-N 2 2 352.523 1.661 10 0 FDAELP C[NH+]1CCO[C@@H](CNC(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)C1 ZINC000109149439 526081771 /nfs/dbraw/zinc/08/17/71/526081771.db2.gz HTWVSOPXKSTWIP-ROUUACIJSA-N 2 2 352.523 1.661 10 0 FDAELP C[NH+]1CCO[C@@H](CNC(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)C1 ZINC000109149439 526081775 /nfs/dbraw/zinc/08/17/75/526081775.db2.gz HTWVSOPXKSTWIP-ROUUACIJSA-N 2 2 352.523 1.661 10 0 FDAELP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)c3ccc4[nH+]ccn4c3)CC2)C1 ZINC000171929845 526184646 /nfs/dbraw/zinc/18/46/46/526184646.db2.gz FAYNEDIBXYAANR-SFHVURJKSA-N 2 2 371.485 1.201 10 0 FDAELP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)c3ccc4[nH+]ccn4c3)CC2)C1 ZINC000171929845 526184654 /nfs/dbraw/zinc/18/46/54/526184654.db2.gz FAYNEDIBXYAANR-SFHVURJKSA-N 2 2 371.485 1.201 10 0 FDAELP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)c3ccc4[nH+]ccn4c3)CC2)C1 ZINC000171929843 526185519 /nfs/dbraw/zinc/18/55/19/526185519.db2.gz FAYNEDIBXYAANR-GOSISDBHSA-N 2 2 371.485 1.201 10 0 FDAELP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)c3ccc4[nH+]ccn4c3)CC2)C1 ZINC000171929843 526185528 /nfs/dbraw/zinc/18/55/28/526185528.db2.gz FAYNEDIBXYAANR-GOSISDBHSA-N 2 2 371.485 1.201 10 0 FDAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H]2CCCC[C@@H]2S(C)(=O)=O)nc[nH+]1 ZINC000183216841 535945288 /nfs/dbraw/zinc/94/52/88/535945288.db2.gz XSEFHXSZLOCRSB-KFWWJZLASA-N 2 2 367.519 1.433 10 0 FDAELP CC[C@H](O)C[NH+]1CCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC1 ZINC000184787900 536183592 /nfs/dbraw/zinc/18/35/92/536183592.db2.gz CWUBMLZFFWFWAS-KRWDZBQOSA-N 2 2 361.490 1.280 10 0 FDAELP Cc1ccc(-c2noc(CCC[NH+]3CCN(C(=O)C4C[NH2+]C4)CC3)n2)cc1 ZINC000263267670 537005598 /nfs/dbraw/zinc/00/55/98/537005598.db2.gz HTFHIQQEYLSEKI-UHFFFAOYSA-N 2 2 369.469 1.341 10 0 FDAELP Cc1nc(C[NH+]2CCC(CNC(=O)[C@@H]3CC(F)(F)C[NH2+]3)CC2)oc1C ZINC000263294187 537010925 /nfs/dbraw/zinc/01/09/25/537010925.db2.gz WCFKYMPKZLEUOP-AWEZNQCLSA-N 2 2 356.417 1.617 10 0 FDAELP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000247046145 537074150 /nfs/dbraw/zinc/07/41/50/537074150.db2.gz GUTBGQRXECETKO-NUJGCVRESA-N 2 2 368.547 1.072 10 0 FDAELP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000247046145 537074153 /nfs/dbraw/zinc/07/41/53/537074153.db2.gz GUTBGQRXECETKO-NUJGCVRESA-N 2 2 368.547 1.072 10 0 FDAELP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000247217563 537096423 /nfs/dbraw/zinc/09/64/23/537096423.db2.gz MFOJKEHTNOTTGI-YZGWKJHDSA-N 2 2 372.513 1.938 10 0 FDAELP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000247217563 537096426 /nfs/dbraw/zinc/09/64/26/537096426.db2.gz MFOJKEHTNOTTGI-YZGWKJHDSA-N 2 2 372.513 1.938 10 0 FDAELP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000247224106 537096888 /nfs/dbraw/zinc/09/68/88/537096888.db2.gz WKHTWQIZLIBFJR-IAGOWNOFSA-N 2 2 352.523 1.613 10 0 FDAELP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000247224106 537096891 /nfs/dbraw/zinc/09/68/91/537096891.db2.gz WKHTWQIZLIBFJR-IAGOWNOFSA-N 2 2 352.523 1.613 10 0 FDAELP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000247252045 537101606 /nfs/dbraw/zinc/10/16/06/537101606.db2.gz YYFAIXQCBQAVBP-XMTFNYHQSA-N 2 2 352.523 1.469 10 0 FDAELP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000247252045 537101608 /nfs/dbraw/zinc/10/16/08/537101608.db2.gz YYFAIXQCBQAVBP-XMTFNYHQSA-N 2 2 352.523 1.469 10 0 FDAELP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000247507783 537128016 /nfs/dbraw/zinc/12/80/16/537128016.db2.gz YHTHZUGTIRHRIV-MOPGFXCFSA-N 2 2 360.502 1.481 10 0 FDAELP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000247507783 537128019 /nfs/dbraw/zinc/12/80/19/537128019.db2.gz YHTHZUGTIRHRIV-MOPGFXCFSA-N 2 2 360.502 1.481 10 0 FDAELP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000247507783 537128022 /nfs/dbraw/zinc/12/80/22/537128022.db2.gz YHTHZUGTIRHRIV-MOPGFXCFSA-N 2 2 360.502 1.481 10 0 FDAELP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000247507783 537128025 /nfs/dbraw/zinc/12/80/25/537128025.db2.gz YHTHZUGTIRHRIV-MOPGFXCFSA-N 2 2 360.502 1.481 10 0 FDAELP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000190080130 537137094 /nfs/dbraw/zinc/13/70/94/537137094.db2.gz YBSKHLSYZVQRPN-RHSMWYFYSA-N 2 2 353.426 1.506 10 0 FDAELP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000190080130 537137099 /nfs/dbraw/zinc/13/70/99/537137099.db2.gz YBSKHLSYZVQRPN-RHSMWYFYSA-N 2 2 353.426 1.506 10 0 FDAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)N[C@H](CC(C)C)C(=O)OC)C1 ZINC000247810001 537152042 /nfs/dbraw/zinc/15/20/42/537152042.db2.gz UQAFQGJJZODKNH-JKSUJKDBSA-N 2 2 364.490 1.786 10 0 FDAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)N[C@H](CC(C)C)C(=O)OC)C1 ZINC000247810001 537152044 /nfs/dbraw/zinc/15/20/44/537152044.db2.gz UQAFQGJJZODKNH-JKSUJKDBSA-N 2 2 364.490 1.786 10 0 FDAELP C[N@@H+]1CCO[C@H](CNC(=O)NCC[NH+]2CCc3c(Cl)cccc3C2)C1 ZINC000190515543 537176397 /nfs/dbraw/zinc/17/63/97/537176397.db2.gz OKBZNZIGHXRLSQ-OAHLLOKOSA-N 2 2 366.893 1.328 10 0 FDAELP C[N@H+]1CCO[C@H](CNC(=O)NCC[NH+]2CCc3c(Cl)cccc3C2)C1 ZINC000190515543 537176399 /nfs/dbraw/zinc/17/63/99/537176399.db2.gz OKBZNZIGHXRLSQ-OAHLLOKOSA-N 2 2 366.893 1.328 10 0 FDAELP C[NH+]1CCO[C@H](CNC(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000190515543 537176401 /nfs/dbraw/zinc/17/64/01/537176401.db2.gz OKBZNZIGHXRLSQ-OAHLLOKOSA-N 2 2 366.893 1.328 10 0 FDAELP C[NH+]1CCO[C@H](CNC(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000190515543 537176404 /nfs/dbraw/zinc/17/64/04/537176404.db2.gz OKBZNZIGHXRLSQ-OAHLLOKOSA-N 2 2 366.893 1.328 10 0 FDAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@@H](O)COC2CCOCC2)C1 ZINC000248663304 537203004 /nfs/dbraw/zinc/20/30/04/537203004.db2.gz ZLRJYPQNTIXBTD-RBUKOAKNSA-N 2 2 363.502 1.392 10 0 FDAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@@H](O)COC2CCOCC2)C1 ZINC000248663304 537203006 /nfs/dbraw/zinc/20/30/06/537203006.db2.gz ZLRJYPQNTIXBTD-RBUKOAKNSA-N 2 2 363.502 1.392 10 0 FDAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](C[C@@H](O)COC2CCOCC2)C1 ZINC000248663304 537203007 /nfs/dbraw/zinc/20/30/07/537203007.db2.gz ZLRJYPQNTIXBTD-RBUKOAKNSA-N 2 2 363.502 1.392 10 0 FDAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](C[C@@H](O)COC2CCOCC2)C1 ZINC000248663304 537203009 /nfs/dbraw/zinc/20/30/09/537203009.db2.gz ZLRJYPQNTIXBTD-RBUKOAKNSA-N 2 2 363.502 1.392 10 0 FDAELP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CCCNC(=O)[C@H]2C)CC1 ZINC000248946561 537221978 /nfs/dbraw/zinc/22/19/78/537221978.db2.gz CJRIVSJSUYHMME-GOSISDBHSA-N 2 2 372.513 1.240 10 0 FDAELP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2CCCNC(=O)[C@H]2C)CC1 ZINC000248946561 537221979 /nfs/dbraw/zinc/22/19/79/537221979.db2.gz CJRIVSJSUYHMME-GOSISDBHSA-N 2 2 372.513 1.240 10 0 FDAELP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CCCNC(=O)[C@H]2C)CC1 ZINC000248946561 537221980 /nfs/dbraw/zinc/22/19/80/537221980.db2.gz CJRIVSJSUYHMME-GOSISDBHSA-N 2 2 372.513 1.240 10 0 FDAELP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CCCNC(=O)[C@H]2C)CC1 ZINC000248946561 537221981 /nfs/dbraw/zinc/22/19/81/537221981.db2.gz CJRIVSJSUYHMME-GOSISDBHSA-N 2 2 372.513 1.240 10 0 FDAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](C[C@@H](O)CC(F)(F)F)CC2)C1 ZINC000248955630 537222762 /nfs/dbraw/zinc/22/27/62/537222762.db2.gz FUNOCIDEYBTDKY-GJZGRUSLSA-N 2 2 353.429 1.027 10 0 FDAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](C[C@@H](O)CC(F)(F)F)CC2)C1 ZINC000248955630 537222764 /nfs/dbraw/zinc/22/27/64/537222764.db2.gz FUNOCIDEYBTDKY-GJZGRUSLSA-N 2 2 353.429 1.027 10 0 FDAELP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000249130591 537231301 /nfs/dbraw/zinc/23/13/01/537231301.db2.gz CZEAADWJYQUEPF-PBHICJAKSA-N 2 2 367.453 1.721 10 0 FDAELP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000249130591 537231302 /nfs/dbraw/zinc/23/13/02/537231302.db2.gz CZEAADWJYQUEPF-PBHICJAKSA-N 2 2 367.453 1.721 10 0 FDAELP Cc1noc([C@@]23C[N@H+](CCCO)C[C@@H]2CC[NH+](CCc2ccccc2)C3)n1 ZINC000257189627 537252853 /nfs/dbraw/zinc/25/28/53/537252853.db2.gz JIEIHYQKTDVDMQ-FPOVZHCZSA-N 2 2 370.497 1.878 10 0 FDAELP Cc1noc([C@@]23C[N@@H+](CCCO)C[C@@H]2CC[NH+](CCc2ccccc2)C3)n1 ZINC000257189627 537252854 /nfs/dbraw/zinc/25/28/54/537252854.db2.gz JIEIHYQKTDVDMQ-FPOVZHCZSA-N 2 2 370.497 1.878 10 0 FDAELP Cc1noc([C@@]23C[NH+](CCCO)C[C@@H]2CC[N@H+](CCc2ccccc2)C3)n1 ZINC000257189627 537252855 /nfs/dbraw/zinc/25/28/55/537252855.db2.gz JIEIHYQKTDVDMQ-FPOVZHCZSA-N 2 2 370.497 1.878 10 0 FDAELP Cc1noc([C@@]23C[NH+](CCCO)C[C@@H]2CC[N@@H+](CCc2ccccc2)C3)n1 ZINC000257189627 537252857 /nfs/dbraw/zinc/25/28/57/537252857.db2.gz JIEIHYQKTDVDMQ-FPOVZHCZSA-N 2 2 370.497 1.878 10 0 FDAELP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000195507779 537416363 /nfs/dbraw/zinc/41/63/63/537416363.db2.gz PPVVQYNYCUWONB-MRXNPFEDSA-N 2 2 368.485 1.721 10 0 FDAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC(=O)NC(=O)NC(C)(C)C)C1 ZINC000195295046 178254176 /nfs/dbraw/zinc/25/41/76/178254176.db2.gz XSZTZJLGPDDQHL-INIZCTEOSA-N 2 2 361.490 1.460 10 0 FDAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC(=O)NC(=O)NC(C)(C)C)C1 ZINC000195295046 178254179 /nfs/dbraw/zinc/25/41/79/178254179.db2.gz XSZTZJLGPDDQHL-INIZCTEOSA-N 2 2 361.490 1.460 10 0 FDAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CC(=O)NC(=O)NC(C)(C)C)C1 ZINC000195295046 178254182 /nfs/dbraw/zinc/25/41/82/178254182.db2.gz XSZTZJLGPDDQHL-INIZCTEOSA-N 2 2 361.490 1.460 10 0 FDAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CC(=O)NC(=O)NC(C)(C)C)C1 ZINC000195295046 178254185 /nfs/dbraw/zinc/25/41/85/178254185.db2.gz XSZTZJLGPDDQHL-INIZCTEOSA-N 2 2 361.490 1.460 10 0 FDAELP C[C@@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)[NH+]1CCOCC1 ZINC000103305033 172363802 /nfs/dbraw/zinc/36/38/02/172363802.db2.gz ZTRQAUDSEOOSJJ-OALUTQOASA-N 2 2 366.550 1.861 10 0 FDAELP Cc1cnn(CCNC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC000125904325 173022846 /nfs/dbraw/zinc/02/28/46/173022846.db2.gz MJSBDAVPCPGIEE-JWTNVVGKSA-N 2 2 360.506 1.144 10 0 FDAELP Cc1cnn(CCNC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC000125904325 173022848 /nfs/dbraw/zinc/02/28/48/173022848.db2.gz MJSBDAVPCPGIEE-JWTNVVGKSA-N 2 2 360.506 1.144 10 0 FDAELP C[C@@H]1CN(C(=O)NCCc2cn3ccccc3[nH+]2)C[C@@H]1[NH+]1CCOCC1 ZINC000175648147 174017561 /nfs/dbraw/zinc/01/75/61/174017561.db2.gz JYARHFZBJLISRV-WBVHZDCISA-N 2 2 357.458 1.239 10 0 FDAELP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000175688080 174020372 /nfs/dbraw/zinc/02/03/72/174020372.db2.gz ITVGCCFLVVDHSS-SOLBZPMBSA-N 2 2 363.506 1.865 10 0 FDAELP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000175688080 174020374 /nfs/dbraw/zinc/02/03/74/174020374.db2.gz ITVGCCFLVVDHSS-SOLBZPMBSA-N 2 2 363.506 1.865 10 0 FDAELP CC(C)[N@H+]1C[C@H](NC(=O)NCc2cc[nH+]c(N3CCOCC3)c2)[C@@H](C)C1 ZINC000176444245 174071368 /nfs/dbraw/zinc/07/13/68/174071368.db2.gz KKDDGQMNXFJCER-RDJZCZTQSA-N 2 2 361.490 1.446 10 0 FDAELP CC(C)[N@@H+]1C[C@H](NC(=O)NCc2cc[nH+]c(N3CCOCC3)c2)[C@@H](C)C1 ZINC000176444245 174071373 /nfs/dbraw/zinc/07/13/73/174071373.db2.gz KKDDGQMNXFJCER-RDJZCZTQSA-N 2 2 361.490 1.446 10 0 FDAELP CCOc1ccnc(N2CC[NH+](Cc3ccc(-n4cc[nH+]c4)nc3)CC2)n1 ZINC000177135544 174108707 /nfs/dbraw/zinc/10/87/07/174108707.db2.gz MHIQTDUETQDFPX-UHFFFAOYSA-N 2 2 365.441 1.778 10 0 FDAELP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000177478905 174135842 /nfs/dbraw/zinc/13/58/42/174135842.db2.gz GWJIWSCPPUOQDZ-IBGZPJMESA-N 3 2 365.566 1.671 10 0 FDAELP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000177478905 174135845 /nfs/dbraw/zinc/13/58/45/174135845.db2.gz GWJIWSCPPUOQDZ-IBGZPJMESA-N 3 2 365.566 1.671 10 0 FDAELP O=C(NCCCCC[NH+]1CCCCC1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173862383 258312975 /nfs/dbraw/zinc/31/29/75/258312975.db2.gz ZLAJFDDZKHZVSJ-SFHVURJKSA-N 2 2 352.523 1.759 10 0 FDAELP CC[NH+]1CCN(c2cccc(NC(=O)NC[C@H]3C[N@H+](C)CCO3)c2)CC1 ZINC000184906141 258384207 /nfs/dbraw/zinc/38/42/07/258384207.db2.gz AIUUKVLQVFZFEM-SFHVURJKSA-N 2 2 361.490 1.281 10 0 FDAELP CC[NH+]1CCN(c2cccc(NC(=O)NC[C@H]3C[N@@H+](C)CCO3)c2)CC1 ZINC000184906141 258384208 /nfs/dbraw/zinc/38/42/08/258384208.db2.gz AIUUKVLQVFZFEM-SFHVURJKSA-N 2 2 361.490 1.281 10 0 FDAELP CCNC(=O)[C@@H]1C[C@H](Nc2cc(CC)[nH+]c(C)n2)C[N@@H+]1Cc1ccccn1 ZINC000096152679 222054918 /nfs/dbraw/zinc/05/49/18/222054918.db2.gz MPZPOGWIBPOJLN-ROUUACIJSA-N 2 2 368.485 1.934 10 0 FDAELP CCNC(=O)[C@@H]1C[C@H](Nc2cc(CC)[nH+]c(C)n2)C[N@H+]1Cc1ccccn1 ZINC000096152679 222054925 /nfs/dbraw/zinc/05/49/25/222054925.db2.gz MPZPOGWIBPOJLN-ROUUACIJSA-N 2 2 368.485 1.934 10 0 FDAELP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccccc2S(=O)(=O)N2CCOCC2)C1 ZINC000328890714 259064161 /nfs/dbraw/zinc/06/41/61/259064161.db2.gz RYIXWDJVOUWFIV-MRXNPFEDSA-N 2 2 367.515 1.139 10 0 FDAELP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccccc2S(=O)(=O)N2CCOCC2)C1 ZINC000328890714 259064162 /nfs/dbraw/zinc/06/41/62/259064162.db2.gz RYIXWDJVOUWFIV-MRXNPFEDSA-N 2 2 367.515 1.139 10 0 FDAELP CN(C)c1[nH+]cccc1O[C@@H]1CC[N@@H+]([C@H]2CCN(C3CCOCC3)C2=O)C1 ZINC000333275234 259329468 /nfs/dbraw/zinc/32/94/68/259329468.db2.gz DFKNBKBUIIRPHI-SJORKVTESA-N 2 2 374.485 1.381 10 0 FDAELP CN(C)c1[nH+]cccc1O[C@@H]1CC[N@H+]([C@H]2CCN(C3CCOCC3)C2=O)C1 ZINC000333275234 259329470 /nfs/dbraw/zinc/32/94/70/259329470.db2.gz DFKNBKBUIIRPHI-SJORKVTESA-N 2 2 374.485 1.381 10 0 FDAELP [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)[C@@H]3COCC[N@@H+]3CC3CCC3)CC2)C1 ZINC000333312422 259334215 /nfs/dbraw/zinc/33/42/15/259334215.db2.gz SBDTXMQEZHYOCU-QYZOEREBSA-N 2 2 365.518 1.232 10 0 FDAELP [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)[C@@H]3COCC[N@H+]3CC3CCC3)CC2)C1 ZINC000333312422 259334216 /nfs/dbraw/zinc/33/42/16/259334216.db2.gz SBDTXMQEZHYOCU-QYZOEREBSA-N 2 2 365.518 1.232 10 0 FDAELP O=C(C[N@@H+]1CCCN(c2nc(C3CC3)[nH+]c3c2CCC3)CC1)N1CCCC1 ZINC000333418840 259346332 /nfs/dbraw/zinc/34/63/32/259346332.db2.gz IBVOJIKUDSCHOU-UHFFFAOYSA-N 2 2 369.513 1.977 10 0 FDAELP O=C(C[N@H+]1CCCN(c2nc(C3CC3)[nH+]c3c2CCC3)CC1)N1CCCC1 ZINC000333418840 259346333 /nfs/dbraw/zinc/34/63/33/259346333.db2.gz IBVOJIKUDSCHOU-UHFFFAOYSA-N 2 2 369.513 1.977 10 0 FDAELP C[NH+](C)[C@H](CNC(=O)C1CC[NH+](CC(N)=O)CC1)c1ccccc1Cl ZINC000091425281 522068893 /nfs/dbraw/zinc/06/88/93/522068893.db2.gz OASBMRNPNUXZJY-MRXNPFEDSA-N 2 2 366.893 1.256 10 0 FDAELP C[C@H](CNC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)[NH+]1CCOCC1 ZINC000079653687 523779567 /nfs/dbraw/zinc/77/95/67/523779567.db2.gz SJSXOYFCAHSJGY-PBHICJAKSA-N 2 2 352.454 1.448 10 0 FDAELP CCCC(=O)N[C@H]1CCC[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000158188406 524417771 /nfs/dbraw/zinc/41/77/71/524417771.db2.gz NHLVNBNRNAHZBM-OALUTQOASA-N 2 2 374.529 1.786 10 0 FDAELP CCCC(=O)N[C@H]1CCC[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000158188406 524417777 /nfs/dbraw/zinc/41/77/77/524417777.db2.gz NHLVNBNRNAHZBM-OALUTQOASA-N 2 2 374.529 1.786 10 0 FDAELP C[N@@H+]1CCO[C@H](CNC(=O)NCC2([NH+]3CCSCC3)CCCCC2)C1 ZINC000112215801 524429014 /nfs/dbraw/zinc/42/90/14/524429014.db2.gz PZGWNOZGJVUBGA-MRXNPFEDSA-N 2 2 370.563 1.368 10 0 FDAELP C[N@H+]1CCO[C@H](CNC(=O)NCC2([NH+]3CCSCC3)CCCCC2)C1 ZINC000112215801 524429025 /nfs/dbraw/zinc/42/90/25/524429025.db2.gz PZGWNOZGJVUBGA-MRXNPFEDSA-N 2 2 370.563 1.368 10 0 FDAELP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000173829627 524465451 /nfs/dbraw/zinc/46/54/51/524465451.db2.gz YBVPPLYMVIDMFH-CABCVRRESA-N 2 2 363.510 1.517 10 0 FDAELP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000173829627 524465452 /nfs/dbraw/zinc/46/54/52/524465452.db2.gz YBVPPLYMVIDMFH-CABCVRRESA-N 2 2 363.510 1.517 10 0 FDAELP CC(C)c1[nH+]c2c(n1C)CCN(Cc1cnc(N3CC[NH+](C)CC3)nc1)C2 ZINC000123328531 524729567 /nfs/dbraw/zinc/72/95/67/524729567.db2.gz XSDBKULIKXFAND-UHFFFAOYSA-N 2 2 369.517 1.644 10 0 FDAELP CC(C)c1nc2c(n1C)CC[N@H+](Cc1cnc(N3CC[NH+](C)CC3)nc1)C2 ZINC000123328531 524729573 /nfs/dbraw/zinc/72/95/73/524729573.db2.gz XSDBKULIKXFAND-UHFFFAOYSA-N 2 2 369.517 1.644 10 0 FDAELP CC(C)c1nc2c(n1C)CC[N@@H+](Cc1cnc(N3CC[NH+](C)CC3)nc1)C2 ZINC000123328531 524729578 /nfs/dbraw/zinc/72/95/78/524729578.db2.gz XSDBKULIKXFAND-UHFFFAOYSA-N 2 2 369.517 1.644 10 0 FDAELP Cn1cc([C@H]2CC[N@H+](CC(=O)N3CC[NH+](Cc4ccco4)CC3)C2)cn1 ZINC000116309666 525131634 /nfs/dbraw/zinc/13/16/34/525131634.db2.gz ODWFCBHOEPPTHW-INIZCTEOSA-N 2 2 357.458 1.147 10 0 FDAELP Cn1cc([C@H]2CC[N@@H+](CC(=O)N3CC[NH+](Cc4ccco4)CC3)C2)cn1 ZINC000116309666 525131641 /nfs/dbraw/zinc/13/16/41/525131641.db2.gz ODWFCBHOEPPTHW-INIZCTEOSA-N 2 2 357.458 1.147 10 0 FDAELP COCC[N@H+](C)CCNC(=O)N1CCC[NH+](Cc2csc(C)n2)CC1 ZINC000116429807 525151525 /nfs/dbraw/zinc/15/15/25/525151525.db2.gz DUSAYLJUHLAITA-UHFFFAOYSA-N 2 2 369.535 1.247 10 0 FDAELP COCC[N@@H+](C)CCNC(=O)N1CCC[NH+](Cc2csc(C)n2)CC1 ZINC000116429807 525151532 /nfs/dbraw/zinc/15/15/32/525151532.db2.gz DUSAYLJUHLAITA-UHFFFAOYSA-N 2 2 369.535 1.247 10 0 FDAELP COCC[NH+](C)CCNC(=O)N1CCC[N@H+](Cc2csc(C)n2)CC1 ZINC000116429807 525151542 /nfs/dbraw/zinc/15/15/42/525151542.db2.gz DUSAYLJUHLAITA-UHFFFAOYSA-N 2 2 369.535 1.247 10 0 FDAELP COCC[NH+](C)CCNC(=O)N1CCC[N@@H+](Cc2csc(C)n2)CC1 ZINC000116429807 525151549 /nfs/dbraw/zinc/15/15/49/525151549.db2.gz DUSAYLJUHLAITA-UHFFFAOYSA-N 2 2 369.535 1.247 10 0 FDAELP C[NH+](C)C[C@H]1CN(C(=O)NC[C@@H](c2c(F)cccc2F)[NH+](C)C)CCO1 ZINC000117051890 525280150 /nfs/dbraw/zinc/28/01/50/525280150.db2.gz HVXFVVXUHCYFQT-BBRMVZONSA-N 2 2 370.444 1.540 10 0 FDAELP Cc1ccc([C@@H](CNC(=O)NC[C@@H]2C[N@H+](C)CCO2)[NH+]2CCCC2)cc1 ZINC000105207715 525475760 /nfs/dbraw/zinc/47/57/60/525475760.db2.gz FHRBDRVOTCFUMW-RTBURBONSA-N 2 2 360.502 1.762 10 0 FDAELP Cc1ccc([C@@H](CNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)[NH+]2CCCC2)cc1 ZINC000105207715 525475766 /nfs/dbraw/zinc/47/57/66/525475766.db2.gz FHRBDRVOTCFUMW-RTBURBONSA-N 2 2 360.502 1.762 10 0 FDAELP CCCCNC(=O)[C@@H](C)[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000106121925 525617792 /nfs/dbraw/zinc/61/77/92/525617792.db2.gz DSXUIIXQRCVCHJ-MSOLQXFVSA-N 2 2 354.539 1.018 10 0 FDAELP CCCCNC(=O)[C@@H](C)[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000106121925 525617804 /nfs/dbraw/zinc/61/78/04/525617804.db2.gz DSXUIIXQRCVCHJ-MSOLQXFVSA-N 2 2 354.539 1.018 10 0 FDAELP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000179751669 525622467 /nfs/dbraw/zinc/62/24/67/525622467.db2.gz RHKVDSIQZKURMA-IBGZPJMESA-N 2 2 373.501 1.414 10 0 FDAELP C[NH+](C)[C@H](Cc1ccccc1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000106456086 525728949 /nfs/dbraw/zinc/72/89/49/525728949.db2.gz YRUGRZGPNJXYCP-LJQANCHMSA-N 2 2 367.497 1.945 10 0 FDAELP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000106458024 525732201 /nfs/dbraw/zinc/73/22/01/525732201.db2.gz LOQUALRVFFKRHZ-LJQANCHMSA-N 2 2 374.529 1.266 10 0 FDAELP COCC[N@@H+]1CCN(C(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)C[C@H]1C ZINC000133825615 526097795 /nfs/dbraw/zinc/09/77/95/526097795.db2.gz VGABUHGPGJAOPG-MJGOQNOKSA-N 2 2 361.486 1.067 10 0 FDAELP COCC[N@H+]1CCN(C(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)C[C@H]1C ZINC000133825615 526097802 /nfs/dbraw/zinc/09/78/02/526097802.db2.gz VGABUHGPGJAOPG-MJGOQNOKSA-N 2 2 361.486 1.067 10 0 FDAELP COCC[NH+]1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C[C@H]1C ZINC000133825615 526097809 /nfs/dbraw/zinc/09/78/09/526097809.db2.gz VGABUHGPGJAOPG-MJGOQNOKSA-N 2 2 361.486 1.067 10 0 FDAELP COCC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C[C@H]1C ZINC000133825615 526097818 /nfs/dbraw/zinc/09/78/18/526097818.db2.gz VGABUHGPGJAOPG-MJGOQNOKSA-N 2 2 361.486 1.067 10 0 FDAELP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+][C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)CC1 ZINC000183616807 536016036 /nfs/dbraw/zinc/01/60/36/536016036.db2.gz XZTAQLQOUVJSOF-XYJFISCASA-N 2 2 367.534 1.885 10 0 FDAELP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+][C@@H]2C[N@H+](C(C)C)C[C@@H]2C)CC1 ZINC000183616807 536016043 /nfs/dbraw/zinc/01/60/43/536016043.db2.gz XZTAQLQOUVJSOF-XYJFISCASA-N 2 2 367.534 1.885 10 0 FDAELP COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000246381565 536941363 /nfs/dbraw/zinc/94/13/63/536941363.db2.gz NOADQEUMUQUWLE-NJAFHUGGSA-N 2 2 365.518 1.782 10 0 FDAELP COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000246381565 536941367 /nfs/dbraw/zinc/94/13/67/536941367.db2.gz NOADQEUMUQUWLE-NJAFHUGGSA-N 2 2 365.518 1.782 10 0 FDAELP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1c(F)ccc(I)c1F ZINC000263127974 536978667 /nfs/dbraw/zinc/97/86/67/536978667.db2.gz BJXUBBZWUWZLNX-HQJQHLMTSA-N 2 2 368.165 1.239 10 0 FDAELP O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263180935 536988261 /nfs/dbraw/zinc/98/82/61/536988261.db2.gz GTUWFILSLQYKOW-INIZCTEOSA-N 2 2 353.413 1.775 10 0 FDAELP COCC[N@H+](C)CCOc1cccc(CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)c1 ZINC000263207280 536992769 /nfs/dbraw/zinc/99/27/69/536992769.db2.gz JVYVWNQIZXULDE-MRXNPFEDSA-N 2 2 371.428 1.257 10 0 FDAELP COCC[N@@H+](C)CCOc1cccc(CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)c1 ZINC000263207280 536992774 /nfs/dbraw/zinc/99/27/74/536992774.db2.gz JVYVWNQIZXULDE-MRXNPFEDSA-N 2 2 371.428 1.257 10 0 FDAELP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CCCNC(=O)[C@H]2C)CC1 ZINC000189300178 537023302 /nfs/dbraw/zinc/02/33/02/537023302.db2.gz ALBPTAMOMNNPPY-QGZVFWFLSA-N 2 2 372.513 1.286 10 0 FDAELP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CCCNC(=O)[C@H]2C)CC1 ZINC000189300178 537023306 /nfs/dbraw/zinc/02/33/06/537023306.db2.gz ALBPTAMOMNNPPY-QGZVFWFLSA-N 2 2 372.513 1.286 10 0 FDAELP C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000246841129 537036902 /nfs/dbraw/zinc/03/69/02/537036902.db2.gz DLJRCOMDYBCQER-FUHIMQAGSA-N 2 2 357.498 1.612 10 0 FDAELP C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1)[N@H+]1CCc2ccccc2C1 ZINC000246841129 537036907 /nfs/dbraw/zinc/03/69/07/537036907.db2.gz DLJRCOMDYBCQER-FUHIMQAGSA-N 2 2 357.498 1.612 10 0 FDAELP CCOCC[N@@H+]1CCN(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)C[C@H]1CC ZINC000247085744 537079396 /nfs/dbraw/zinc/07/93/96/537079396.db2.gz LQJIOYWQKXBPMD-FGTMMUONSA-N 2 2 370.538 1.238 10 0 FDAELP CCOCC[N@H+]1CCN(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)C[C@H]1CC ZINC000247085744 537079398 /nfs/dbraw/zinc/07/93/98/537079398.db2.gz LQJIOYWQKXBPMD-FGTMMUONSA-N 2 2 370.538 1.238 10 0 FDAELP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000247252033 537101666 /nfs/dbraw/zinc/10/16/66/537101666.db2.gz YYFAIXQCBQAVBP-MHORFTMASA-N 2 2 352.523 1.469 10 0 FDAELP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000247252033 537101667 /nfs/dbraw/zinc/10/16/67/537101667.db2.gz YYFAIXQCBQAVBP-MHORFTMASA-N 2 2 352.523 1.469 10 0 FDAELP CC(=O)N[C@@H]1CCCN(C(=O)C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000189910581 537113985 /nfs/dbraw/zinc/11/39/85/537113985.db2.gz NEPVEMWYLAXMQB-MAUKXSAKSA-N 2 2 369.469 1.650 10 0 FDAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+]([C@H](C)C(=O)NC3CCCC3)CC2)C1 ZINC000247780544 537150499 /nfs/dbraw/zinc/15/04/99/537150499.db2.gz RVQBJWWYNRETEE-MJGOQNOKSA-N 2 2 366.550 1.161 10 0 FDAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+]([C@H](C)C(=O)NC3CCCC3)CC2)C1 ZINC000247780544 537150501 /nfs/dbraw/zinc/15/05/01/537150501.db2.gz RVQBJWWYNRETEE-MJGOQNOKSA-N 2 2 366.550 1.161 10 0 FDAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+]([C@H](C)C(=O)NC3CCCC3)CC2)C1 ZINC000247780542 537150543 /nfs/dbraw/zinc/15/05/43/537150543.db2.gz RVQBJWWYNRETEE-IEBWSBKVSA-N 2 2 366.550 1.161 10 0 FDAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+]([C@H](C)C(=O)NC3CCCC3)CC2)C1 ZINC000247780542 537150544 /nfs/dbraw/zinc/15/05/44/537150544.db2.gz RVQBJWWYNRETEE-IEBWSBKVSA-N 2 2 366.550 1.161 10 0 FDAELP C[C@@H]1C[N@@H+]([C@H](CNC(=O)N2CC[C@@H]([NH+](C)C)C2)c2cccs2)CCO1 ZINC000248371820 537174187 /nfs/dbraw/zinc/17/41/87/537174187.db2.gz ZDCKTUOHTGRBIE-BZUAXINKSA-N 2 2 366.531 1.855 10 0 FDAELP C[C@@H]1C[N@H+]([C@H](CNC(=O)N2CC[C@@H]([NH+](C)C)C2)c2cccs2)CCO1 ZINC000248371820 537174190 /nfs/dbraw/zinc/17/41/90/537174190.db2.gz ZDCKTUOHTGRBIE-BZUAXINKSA-N 2 2 366.531 1.855 10 0 FDAELP Cn1cc([C@@H]2CCC[N@@H+]2CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)cn1 ZINC000248390197 537176168 /nfs/dbraw/zinc/17/61/68/537176168.db2.gz BRXFMRQKHPQIAX-RBUKOAKNSA-N 2 2 355.486 1.976 10 0 FDAELP Cn1cc([C@@H]2CCC[N@H+]2CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)cn1 ZINC000248390197 537176170 /nfs/dbraw/zinc/17/61/70/537176170.db2.gz BRXFMRQKHPQIAX-RBUKOAKNSA-N 2 2 355.486 1.976 10 0 FDAELP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+][C@H]2C[N@@H+](C(C)C)C[C@H]2C)CC1 ZINC000248394565 537176800 /nfs/dbraw/zinc/17/68/00/537176800.db2.gz XZTAQLQOUVJSOF-RYRKJORJSA-N 2 2 367.534 1.885 10 0 FDAELP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+][C@H]2C[N@H+](C(C)C)C[C@H]2C)CC1 ZINC000248394565 537176801 /nfs/dbraw/zinc/17/68/01/537176801.db2.gz XZTAQLQOUVJSOF-RYRKJORJSA-N 2 2 367.534 1.885 10 0 FDAELP Cc1noc([C@@]23C[N@H+](CCc4ccccc4)C[C@@H]2CC[NH+](CCCO)C3)n1 ZINC000257189306 537252644 /nfs/dbraw/zinc/25/26/44/537252644.db2.gz IFSYIWLXRYINMN-FPOVZHCZSA-N 2 2 370.497 1.878 10 0 FDAELP Cc1noc([C@@]23C[N@@H+](CCc4ccccc4)C[C@@H]2CC[NH+](CCCO)C3)n1 ZINC000257189306 537252645 /nfs/dbraw/zinc/25/26/45/537252645.db2.gz IFSYIWLXRYINMN-FPOVZHCZSA-N 2 2 370.497 1.878 10 0 FDAELP Cc1noc([C@@]23C[NH+](CCc4ccccc4)C[C@@H]2CC[N@H+](CCCO)C3)n1 ZINC000257189306 537252646 /nfs/dbraw/zinc/25/26/46/537252646.db2.gz IFSYIWLXRYINMN-FPOVZHCZSA-N 2 2 370.497 1.878 10 0 FDAELP Cc1noc([C@@]23C[NH+](CCc4ccccc4)C[C@@H]2CC[N@@H+](CCCO)C3)n1 ZINC000257189306 537252648 /nfs/dbraw/zinc/25/26/48/537252648.db2.gz IFSYIWLXRYINMN-FPOVZHCZSA-N 2 2 370.497 1.878 10 0 FDAELP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000194445073 178212355 /nfs/dbraw/zinc/21/23/55/178212355.db2.gz HRNNPAUXGHJPLW-UXHICEINSA-N 2 2 372.513 1.625 10 0 FDAELP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000194445073 178212357 /nfs/dbraw/zinc/21/23/57/178212357.db2.gz HRNNPAUXGHJPLW-UXHICEINSA-N 2 2 372.513 1.625 10 0 FDAELP CCCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195257096 178250399 /nfs/dbraw/zinc/25/03/99/178250399.db2.gz PRRYWTPYHGONHS-AWEZNQCLSA-N 2 2 367.519 1.441 10 0 FDAELP CCCNC(=O)NC(=O)C[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195257096 178250401 /nfs/dbraw/zinc/25/04/01/178250401.db2.gz PRRYWTPYHGONHS-AWEZNQCLSA-N 2 2 367.519 1.441 10 0 FDAELP CCCNC(=O)NC(=O)C[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195257096 178250405 /nfs/dbraw/zinc/25/04/05/178250405.db2.gz PRRYWTPYHGONHS-AWEZNQCLSA-N 2 2 367.519 1.441 10 0 FDAELP CCCNC(=O)NC(=O)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000195257096 178250406 /nfs/dbraw/zinc/25/04/06/178250406.db2.gz PRRYWTPYHGONHS-AWEZNQCLSA-N 2 2 367.519 1.441 10 0 FDAELP [NH3+]C[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000237855170 178334382 /nfs/dbraw/zinc/33/43/82/178334382.db2.gz YJPBHFQTFMLKRQ-KRWDZBQOSA-N 2 2 355.442 1.865 10 0 FDAELP COC(=O)[C@@H](CC(C)C)NC(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171645334 258266927 /nfs/dbraw/zinc/26/69/27/258266927.db2.gz OPWBXZGIJLNWDU-HZPDHXFCSA-N 2 2 362.474 1.519 10 0 FDAELP COC(=O)[C@@H](CC(C)C)NC(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171645334 258266928 /nfs/dbraw/zinc/26/69/28/258266928.db2.gz OPWBXZGIJLNWDU-HZPDHXFCSA-N 2 2 362.474 1.519 10 0 FDAELP C[C@H](NC(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)C(=O)N1CCCCC1 ZINC000171641081 258267331 /nfs/dbraw/zinc/26/73/31/258267331.db2.gz IAQTZHKVQWGNHX-DLBZAZTESA-N 2 2 373.501 1.333 10 0 FDAELP C[C@H](NC(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)C(=O)N1CCCCC1 ZINC000171641081 258267332 /nfs/dbraw/zinc/26/73/32/258267332.db2.gz IAQTZHKVQWGNHX-DLBZAZTESA-N 2 2 373.501 1.333 10 0 FDAELP O=C(Nc1cccc(-n2cc[nH+]c2)c1)C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000072851211 172051958 /nfs/dbraw/zinc/05/19/58/172051958.db2.gz KBNSDKADPSFCHM-UHFFFAOYSA-N 2 2 353.426 1.508 10 0 FDAELP O=C(Nc1cccc(-n2cc[nH+]c2)c1)C(=O)N1CCC[N@H+](C2CC2)CC1 ZINC000072851211 172051960 /nfs/dbraw/zinc/05/19/60/172051960.db2.gz KBNSDKADPSFCHM-UHFFFAOYSA-N 2 2 353.426 1.508 10 0 FDAELP C[C@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000073719803 172068182 /nfs/dbraw/zinc/06/81/82/172068182.db2.gz ISFJXWMWARVVDT-DLBZAZTESA-N 2 2 352.523 1.803 10 0 FDAELP C[C@H](CNC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)[NH+]1CCOCC1 ZINC000077793241 172138190 /nfs/dbraw/zinc/13/81/90/172138190.db2.gz AWSZZUWHKLPPRY-MJGOQNOKSA-N 2 2 360.502 1.843 10 0 FDAELP O=C(NCc1ccccc1C[NH+]1CCOCC1)[C@@H]1CCCn2cc[nH+]c21 ZINC000080496133 172173955 /nfs/dbraw/zinc/17/39/55/172173955.db2.gz GBVILSBVKIYKGZ-GOSISDBHSA-N 2 2 354.454 1.909 10 0 FDAELP C[NH+]1CCC(CNC(=O)N[C@@H]2CCCC[C@H]2CO)([NH+]2CCCCC2)CC1 ZINC000081502800 172191093 /nfs/dbraw/zinc/19/10/93/172191093.db2.gz DGLMGBPZJABVEA-ZWKOTPCHSA-N 2 2 366.550 1.787 10 0 FDAELP C[C@@H]1CN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)C[C@H]1[NH+]1CCOCC1 ZINC000175679252 174019136 /nfs/dbraw/zinc/01/91/36/174019136.db2.gz VYAOESZPLDNETJ-SJLPKXTDSA-N 2 2 373.501 1.413 10 0 FDAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2cc[nH+]c(N3CCOCC3)c2)C1 ZINC000176444229 174070963 /nfs/dbraw/zinc/07/09/63/174070963.db2.gz KKDDGQMNXFJCER-WBVHZDCISA-N 2 2 361.490 1.446 10 0 FDAELP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2cc[nH+]c(N3CCOCC3)c2)C1 ZINC000176444229 174070967 /nfs/dbraw/zinc/07/09/67/174070967.db2.gz KKDDGQMNXFJCER-WBVHZDCISA-N 2 2 361.490 1.446 10 0 FDAELP CC(C)N1CCC[C@@H]([NH+]2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)C1=O ZINC000177710313 174153407 /nfs/dbraw/zinc/15/34/07/174153407.db2.gz SAONRVGMDFKKKI-RBUKOAKNSA-N 2 2 366.550 1.113 10 0 FDAELP CC(C)N1CCC[C@@H]([NH+]2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)C1=O ZINC000177710313 174153408 /nfs/dbraw/zinc/15/34/08/174153408.db2.gz SAONRVGMDFKKKI-RBUKOAKNSA-N 2 2 366.550 1.113 10 0 FDAELP COc1ccc([C@@H](C)C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000180049875 258361351 /nfs/dbraw/zinc/36/13/51/258361351.db2.gz DRAICAWQVFEYOD-WMZOPIPTSA-N 2 2 361.486 1.321 10 0 FDAELP O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173773898 258310591 /nfs/dbraw/zinc/31/05/91/258310591.db2.gz DNIUOSVATGDOPU-WOJBJXKFSA-N 2 2 372.513 1.940 10 0 FDAELP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)CC(C)C ZINC000173795603 258310828 /nfs/dbraw/zinc/31/08/28/258310828.db2.gz NKKDUEDJSLIPDO-ROUUACIJSA-N 2 2 354.539 1.859 10 0 FDAELP C[NH+](C)[C@H]1CCN(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1 ZINC000173916196 258314738 /nfs/dbraw/zinc/31/47/38/258314738.db2.gz KDOQLCHLORHMBU-KRWDZBQOSA-N 3 2 351.539 1.282 10 0 FDAELP CC[N@H+](C[C@@H](O)CN1CCCC1=O)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108476 523023691 /nfs/dbraw/zinc/02/36/91/523023691.db2.gz QYXZWRGDWRXGMX-GOSISDBHSA-N 2 2 360.502 1.603 10 0 FDAELP CC[N@@H+](C[C@@H](O)CN1CCCC1=O)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108476 523023702 /nfs/dbraw/zinc/02/37/02/523023702.db2.gz QYXZWRGDWRXGMX-GOSISDBHSA-N 2 2 360.502 1.603 10 0 FDAELP CCOC(=O)[C@H]1CCCN(C(=O)[C@H](C)[NH+]2CCC([NH+]3CCCC3)CC2)C1 ZINC000066533795 523098369 /nfs/dbraw/zinc/09/83/69/523098369.db2.gz SCAWQANWPQHZTD-IRXDYDNUSA-N 2 2 365.518 1.737 10 0 FDAELP CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccccc2C[NH+]2CCOCC2)C1 ZINC000052740791 523260779 /nfs/dbraw/zinc/26/07/79/523260779.db2.gz KGVZZEMHUZMSLI-KRWDZBQOSA-N 2 2 374.485 1.058 10 0 FDAELP CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccccc2C[NH+]2CCOCC2)C1 ZINC000052740791 523260790 /nfs/dbraw/zinc/26/07/90/523260790.db2.gz KGVZZEMHUZMSLI-KRWDZBQOSA-N 2 2 374.485 1.058 10 0 FDAELP Cn1cc([C@H]2CC[N@H+](CC(=O)N3CC[NH+](Cc4cccs4)CC3)C2)cn1 ZINC000172058091 524103540 /nfs/dbraw/zinc/10/35/40/524103540.db2.gz KOOJZIDEPMKJPQ-INIZCTEOSA-N 2 2 373.526 1.615 10 0 FDAELP Cn1cc([C@H]2CC[N@@H+](CC(=O)N3CC[NH+](Cc4cccs4)CC3)C2)cn1 ZINC000172058091 524103546 /nfs/dbraw/zinc/10/35/46/524103546.db2.gz KOOJZIDEPMKJPQ-INIZCTEOSA-N 2 2 373.526 1.615 10 0 FDAELP CC(C)[NH+]1CCC(NC(=O)N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)CC1 ZINC000172115124 524121643 /nfs/dbraw/zinc/12/16/43/524121643.db2.gz SPLYURRPYNKZHL-HXUWFJFHSA-N 2 2 374.529 1.920 10 0 FDAELP CC(C)[C@H](CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C)N1CC[NH+](C)CC1 ZINC000112914086 524587749 /nfs/dbraw/zinc/58/77/49/524587749.db2.gz LLGKMDIJPBCTKT-UXHICEINSA-N 2 2 360.546 1.548 10 0 FDAELP CC(C)[C@H](CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C)[NH+]1CCN(C)CC1 ZINC000112914086 524587755 /nfs/dbraw/zinc/58/77/55/524587755.db2.gz LLGKMDIJPBCTKT-UXHICEINSA-N 2 2 360.546 1.548 10 0 FDAELP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000113601679 524704834 /nfs/dbraw/zinc/70/48/34/524704834.db2.gz GUTBGQRXECETKO-JFIYKMOQSA-N 2 2 368.547 1.072 10 0 FDAELP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000113601679 524704840 /nfs/dbraw/zinc/70/48/40/524704840.db2.gz GUTBGQRXECETKO-JFIYKMOQSA-N 2 2 368.547 1.072 10 0 FDAELP C[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)[NH+]1CCOCC1 ZINC000114783397 524871854 /nfs/dbraw/zinc/87/18/54/524871854.db2.gz QLJFYRNFDQIBIW-HKUYNNGSSA-N 2 2 360.502 1.671 10 0 FDAELP C[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)[NH+]1CCOCC1 ZINC000114783397 524871864 /nfs/dbraw/zinc/87/18/64/524871864.db2.gz QLJFYRNFDQIBIW-HKUYNNGSSA-N 2 2 360.502 1.671 10 0 FDAELP C[C@H](CNC(=O)NCc1ccc(OCC[NH+](C)C)cc1)[NH+]1CCOCC1 ZINC000124132553 524911214 /nfs/dbraw/zinc/91/12/14/524911214.db2.gz INWMOPKARHHAPZ-MRXNPFEDSA-N 2 2 364.490 1.147 10 0 FDAELP CCC[N@H+](CC)CCNC(=O)NC[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000175601079 524980742 /nfs/dbraw/zinc/98/07/42/524980742.db2.gz CUCAUOUQHZAUQN-OAHLLOKOSA-N 2 2 363.510 1.518 10 0 FDAELP CCC[N@@H+](CC)CCNC(=O)NC[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000175601079 524980754 /nfs/dbraw/zinc/98/07/54/524980754.db2.gz CUCAUOUQHZAUQN-OAHLLOKOSA-N 2 2 363.510 1.518 10 0 FDAELP CCC[N@H+](CC)CCNC(=O)NC[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000175601079 524980764 /nfs/dbraw/zinc/98/07/64/524980764.db2.gz CUCAUOUQHZAUQN-OAHLLOKOSA-N 2 2 363.510 1.518 10 0 FDAELP CCC[N@@H+](CC)CCNC(=O)NC[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000175601079 524980771 /nfs/dbraw/zinc/98/07/71/524980771.db2.gz CUCAUOUQHZAUQN-OAHLLOKOSA-N 2 2 363.510 1.518 10 0 FDAELP Cc1[nH+]c2ccccc2n1CCCNC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000117026357 525270256 /nfs/dbraw/zinc/27/02/56/525270256.db2.gz VFFYOKXBKOIJTR-INIZCTEOSA-N 2 2 359.474 1.707 10 0 FDAELP CC[C@H]1CN(C(=O)NCCCNc2ccc(C)c[nH+]2)CC[N@@H+]1CCOC ZINC000117479272 525346404 /nfs/dbraw/zinc/34/64/04/525346404.db2.gz MEWVQLLXDZMZQM-KRWDZBQOSA-N 2 2 363.506 1.944 10 0 FDAELP CC[C@H]1CN(C(=O)NCCCNc2ccc(C)c[nH+]2)CC[N@H+]1CCOC ZINC000117479272 525346407 /nfs/dbraw/zinc/34/64/07/525346407.db2.gz MEWVQLLXDZMZQM-KRWDZBQOSA-N 2 2 363.506 1.944 10 0 FDAELP CC[C@@H]1CN(C(=O)NC[C@@H](C)Cn2cc[nH+]c2C)CC[N@@H+]1CCOC ZINC000117488255 525352111 /nfs/dbraw/zinc/35/21/11/525352111.db2.gz SDEYPMRDKAXGFU-NVXWUHKLSA-N 2 2 351.495 1.580 10 0 FDAELP CC[C@@H]1CN(C(=O)NC[C@@H](C)Cn2cc[nH+]c2C)CC[N@H+]1CCOC ZINC000117488255 525352116 /nfs/dbraw/zinc/35/21/16/525352116.db2.gz SDEYPMRDKAXGFU-NVXWUHKLSA-N 2 2 351.495 1.580 10 0 FDAELP CC[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)CC[N@@H+]1CCOC ZINC000117526862 525362907 /nfs/dbraw/zinc/36/29/07/525362907.db2.gz WLTISXMKHKHLCU-SFHVURJKSA-N 2 2 374.485 1.140 10 0 FDAELP CC[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)CC[N@H+]1CCOC ZINC000117526862 525362913 /nfs/dbraw/zinc/36/29/13/525362913.db2.gz WLTISXMKHKHLCU-SFHVURJKSA-N 2 2 374.485 1.140 10 0 FDAELP CC[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)CC[NH+]1CCOC ZINC000117526862 525362919 /nfs/dbraw/zinc/36/29/19/525362919.db2.gz WLTISXMKHKHLCU-SFHVURJKSA-N 2 2 374.485 1.140 10 0 FDAELP CC[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)CC[NH+]1CCOC ZINC000117526862 525362924 /nfs/dbraw/zinc/36/29/24/525362924.db2.gz WLTISXMKHKHLCU-SFHVURJKSA-N 2 2 374.485 1.140 10 0 FDAELP CC(C)c1nc(N(C)CC2CC[NH+](C[C@@H](C)O)CC2)nc(N(C)C)[nH+]1 ZINC000179303354 525555079 /nfs/dbraw/zinc/55/50/79/525555079.db2.gz IDOZQRMVBHYXAN-CQSZACIVSA-N 2 2 350.511 1.590 10 0 FDAELP CCC(C)(C)NC(=O)[C@H](C)[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000106121795 525613080 /nfs/dbraw/zinc/61/30/80/525613080.db2.gz MHGFYETXMJJIAJ-ROUUACIJSA-N 2 2 368.566 1.407 10 0 FDAELP CCC(C)(C)NC(=O)[C@H](C)[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000106121795 525613089 /nfs/dbraw/zinc/61/30/89/525613089.db2.gz MHGFYETXMJJIAJ-ROUUACIJSA-N 2 2 368.566 1.407 10 0 FDAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](CC(=O)NCc3ccccc3)CC2)C1 ZINC000106123476 525616147 /nfs/dbraw/zinc/61/61/47/525616147.db2.gz LHSSXKPYKWEMBR-HXUWFJFHSA-N 2 2 374.529 1.030 10 0 FDAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](CC(=O)NCc3ccccc3)CC2)C1 ZINC000106123476 525616158 /nfs/dbraw/zinc/61/61/58/525616158.db2.gz LHSSXKPYKWEMBR-HXUWFJFHSA-N 2 2 374.529 1.030 10 0 FDAELP O=C(N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171781230 526121199 /nfs/dbraw/zinc/12/11/99/526121199.db2.gz VTIUWRWNUWZGJS-VQTJNVASSA-N 2 2 372.513 1.420 10 0 FDAELP O=C(N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171781230 526121209 /nfs/dbraw/zinc/12/12/09/526121209.db2.gz VTIUWRWNUWZGJS-VQTJNVASSA-N 2 2 372.513 1.420 10 0 FDAELP C[C@@H](CNC(=O)Nc1ccccc1OCCn1cc[nH+]c1)[NH+]1CCOCC1 ZINC000110069418 526219329 /nfs/dbraw/zinc/21/93/29/526219329.db2.gz CETYGHVTVKYJHQ-INIZCTEOSA-N 2 2 373.457 1.804 10 0 FDAELP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](c2ccc(C)s2)[NH+]2CCOCC2)C1 ZINC000246752158 537018618 /nfs/dbraw/zinc/01/86/18/537018618.db2.gz HTINZHWQRIPRGU-HZPDHXFCSA-N 2 2 367.515 1.267 10 0 FDAELP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](c2ccc(C)s2)[NH+]2CCOCC2)C1 ZINC000246752158 537018623 /nfs/dbraw/zinc/01/86/23/537018623.db2.gz HTINZHWQRIPRGU-HZPDHXFCSA-N 2 2 367.515 1.267 10 0 FDAELP C[C@@H]([NH2+][C@@H](C)C(=O)N(C)CC(=O)NC1CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189895626 537112201 /nfs/dbraw/zinc/11/22/01/537112201.db2.gz LFTCPKOBBWFBEL-CABCVRRESA-N 2 2 369.469 1.648 10 0 FDAELP Cc1cccc([C@H](CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)[NH+]2CCOCC2)c1 ZINC000247483363 537124335 /nfs/dbraw/zinc/12/43/35/537124335.db2.gz JZDPYVOGSCKFCH-PMACEKPBSA-N 2 2 372.513 1.858 10 0 FDAELP Cc1cccc([C@H](CNC(=O)N2CC[N@H+]3CCC[C@H]3C2)[NH+]2CCOCC2)c1 ZINC000247483363 537124338 /nfs/dbraw/zinc/12/43/38/537124338.db2.gz JZDPYVOGSCKFCH-PMACEKPBSA-N 2 2 372.513 1.858 10 0 FDAELP C[C@H](CNC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)[NH+]1CCOCC1 ZINC000193095967 537239819 /nfs/dbraw/zinc/23/98/19/537239819.db2.gz BQAKXLNBMSSRGW-RHSMWYFYSA-N 2 2 368.909 1.963 10 0 FDAELP Cc1cc(=O)n2nc(C[N@@H+]3C[C@@H](C[NH3+])[C@H](c4ccccc4)C3)sc2n1 ZINC000261678715 672649545 /nfs/dbraw/zinc/64/95/45/672649545.db2.gz IFBCVUVFHPKIEB-CABCVRRESA-N 2 2 355.467 1.634 10 0 FDAELP Cc1cc(=O)n2nc(C[N@H+]3C[C@@H](C[NH3+])[C@H](c4ccccc4)C3)sc2n1 ZINC000261678715 672649548 /nfs/dbraw/zinc/64/95/48/672649548.db2.gz IFBCVUVFHPKIEB-CABCVRRESA-N 2 2 355.467 1.634 10 0 FDAELP O=S(=O)(CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)c1ccc(Cl)cc1 ZINC000261839787 672681037 /nfs/dbraw/zinc/68/10/37/672681037.db2.gz AHZSQDIOUFNCOJ-GVDBMIGSSA-N 2 2 372.918 1.860 10 0 FDAELP C[NH+]1CCN(C(=O)CC[C@@H]2CCCN(c3cc(NC4CC4)[nH+]cn3)C2)CC1 ZINC000065245152 221185993 /nfs/dbraw/zinc/18/59/93/221185993.db2.gz GGCTUHFDOZVWBH-INIZCTEOSA-N 2 2 372.517 1.822 10 0 FDAELP C[NH+]1CCN(C(=O)CC[C@@H]2CCCN(c3cc(NC4CC4)nc[nH+]3)C2)CC1 ZINC000065245152 221185995 /nfs/dbraw/zinc/18/59/95/221185995.db2.gz GGCTUHFDOZVWBH-INIZCTEOSA-N 2 2 372.517 1.822 10 0 FDAELP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000172461749 258276532 /nfs/dbraw/zinc/27/65/32/258276532.db2.gz NUKPMHSWRREQRD-MRXNPFEDSA-N 2 2 363.506 1.903 10 0 FDAELP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000172461749 258276533 /nfs/dbraw/zinc/27/65/33/258276533.db2.gz NUKPMHSWRREQRD-MRXNPFEDSA-N 2 2 363.506 1.903 10 0 FDAELP CCC(CC)[C@H](C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)[NH+]1CCOCC1 ZINC000172765409 258284627 /nfs/dbraw/zinc/28/46/27/258284627.db2.gz ZHOYNJOCWDXAQI-QZTJIDSGSA-N 2 2 353.507 1.057 10 0 FDAELP O=C(NCc1ccccc1C[NH+]1CCOCC1)[C@H]1CCCn2cc[nH+]c21 ZINC000080496141 172173823 /nfs/dbraw/zinc/17/38/23/172173823.db2.gz GBVILSBVKIYKGZ-SFHVURJKSA-N 2 2 354.454 1.909 10 0 FDAELP C[C@H]1C[N@@H+](C2CC[NH+](CCC(=O)Nc3cc(N)ccc3F)CC2)CCO1 ZINC000081671506 172194569 /nfs/dbraw/zinc/19/45/69/172194569.db2.gz GACFLQVMWQVRRI-AWEZNQCLSA-N 2 2 364.465 1.922 10 0 FDAELP C[C@H]1C[N@H+](C2CC[NH+](CCC(=O)Nc3cc(N)ccc3F)CC2)CCO1 ZINC000081671506 172194572 /nfs/dbraw/zinc/19/45/72/172194572.db2.gz GACFLQVMWQVRRI-AWEZNQCLSA-N 2 2 364.465 1.922 10 0 FDAELP C[NH+](C)[C@H]1CC[C@@H](NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000093791267 172321132 /nfs/dbraw/zinc/32/11/32/172321132.db2.gz RYNYPZMKFDXDHH-AEFFLSMTSA-N 3 2 351.539 1.327 10 0 FDAELP C[C@@H](CNC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)[NH+]1CCOCC1 ZINC000103304921 172363388 /nfs/dbraw/zinc/36/33/88/172363388.db2.gz IAJNIDGOESIAJQ-AZUAARDMSA-N 2 2 374.529 1.571 10 0 FDAELP C[C@@H](CNC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)[NH+]1CCOCC1 ZINC000103304921 172363391 /nfs/dbraw/zinc/36/33/91/172363391.db2.gz IAJNIDGOESIAJQ-AZUAARDMSA-N 2 2 374.529 1.571 10 0 FDAELP C[C@H](CNC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)[NH+]1CCOCC1 ZINC000103304924 172363859 /nfs/dbraw/zinc/36/38/59/172363859.db2.gz IAJNIDGOESIAJQ-UYAOXDASSA-N 2 2 374.529 1.571 10 0 FDAELP C[C@H](CNC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)[NH+]1CCOCC1 ZINC000103304924 172363861 /nfs/dbraw/zinc/36/38/61/172363861.db2.gz IAJNIDGOESIAJQ-UYAOXDASSA-N 2 2 374.529 1.571 10 0 FDAELP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000173780629 258310794 /nfs/dbraw/zinc/31/07/94/258310794.db2.gz JKBQOJTZFMACOJ-ZWKOTPCHSA-N 2 2 373.501 1.686 10 0 FDAELP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000173780629 258310795 /nfs/dbraw/zinc/31/07/95/258310795.db2.gz JKBQOJTZFMACOJ-ZWKOTPCHSA-N 2 2 373.501 1.686 10 0 FDAELP C[NH+](C)[C@H](CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)C1CCCCC1 ZINC000173799256 258311514 /nfs/dbraw/zinc/31/15/14/258311514.db2.gz LVDHGEVTSMSQEZ-QZTJIDSGSA-N 2 2 352.523 1.613 10 0 FDAELP Cc1ccc([C@@H](CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)[NH+](C)C)cc1 ZINC000173816992 258311891 /nfs/dbraw/zinc/31/18/91/258311891.db2.gz CGAGWJZXPMNZCY-RTBURBONSA-N 2 2 360.502 1.714 10 0 FDAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)C(=O)Nc2cc(C)no2)nc[nH+]1 ZINC000174287727 258322566 /nfs/dbraw/zinc/32/25/66/258322566.db2.gz VBEBPQHMXYWZOO-QWHCGFSZSA-N 2 2 359.434 1.400 10 0 FDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)N[C@@H](C)C(=O)N1CCCCC1 ZINC000178330246 258328494 /nfs/dbraw/zinc/32/84/94/258328494.db2.gz MAHNQDDRZKRNLI-DOTOQJQBSA-N 2 2 361.490 1.173 10 0 FDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H](C)C(=O)N1CCCCC1 ZINC000178330246 258328495 /nfs/dbraw/zinc/32/84/95/258328495.db2.gz MAHNQDDRZKRNLI-DOTOQJQBSA-N 2 2 361.490 1.173 10 0 FDAELP COC(=O)C1(NC(=O)C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)CCCCC1 ZINC000178753836 258334334 /nfs/dbraw/zinc/33/43/34/258334334.db2.gz CZHUTCXWGDJWLU-INIZCTEOSA-N 2 2 362.474 1.648 10 0 FDAELP COC(=O)C1(NC(=O)C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)CCCCC1 ZINC000178753836 258334335 /nfs/dbraw/zinc/33/43/35/258334335.db2.gz CZHUTCXWGDJWLU-INIZCTEOSA-N 2 2 362.474 1.648 10 0 FDAELP C[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2C[NH+](C)CCO2)[C@@H]1c1ccc(Cl)cc1 ZINC000245551625 258395502 /nfs/dbraw/zinc/39/55/02/258395502.db2.gz IYDPXDNJZPRUAZ-IKGGRYGDSA-N 2 2 366.893 1.715 10 0 FDAELP C[N@H+]1CC[C@H](NC(=O)NC[C@@H]2C[NH+](C)CCO2)[C@@H]1c1ccc(Cl)cc1 ZINC000245551625 258395503 /nfs/dbraw/zinc/39/55/03/258395503.db2.gz IYDPXDNJZPRUAZ-IKGGRYGDSA-N 2 2 366.893 1.715 10 0 FDAELP C[NH+]1CC[C@H](NC(=O)NC[C@@H]2C[N@H+](C)CCO2)[C@@H]1c1ccc(Cl)cc1 ZINC000245551625 258395504 /nfs/dbraw/zinc/39/55/04/258395504.db2.gz IYDPXDNJZPRUAZ-IKGGRYGDSA-N 2 2 366.893 1.715 10 0 FDAELP C[NH+]1CC[C@H](NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)[C@@H]1c1ccc(Cl)cc1 ZINC000245551625 258395505 /nfs/dbraw/zinc/39/55/05/258395505.db2.gz IYDPXDNJZPRUAZ-IKGGRYGDSA-N 2 2 366.893 1.715 10 0 FDAELP C[C@H](CC[N@@H+]1CCC[C@@H](c2nnc[nH]2)C1)[NH+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000330303220 259138714 /nfs/dbraw/zinc/13/87/14/259138714.db2.gz PABSJCIBCKXEIH-BZUAXINKSA-N 2 2 358.494 1.760 10 0 FDAELP C[C@H](CC[N@H+]1CCC[C@@H](c2nnc[nH]2)C1)[NH+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000330303220 259138715 /nfs/dbraw/zinc/13/87/15/259138715.db2.gz PABSJCIBCKXEIH-BZUAXINKSA-N 2 2 358.494 1.760 10 0 FDAELP C[C@H](CC[NH+]1CCC[C@@H](c2nnc[nH]2)C1)[N@@H+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000330303220 259138716 /nfs/dbraw/zinc/13/87/16/259138716.db2.gz PABSJCIBCKXEIH-BZUAXINKSA-N 2 2 358.494 1.760 10 0 FDAELP C[C@H](CC[NH+]1CCC[C@@H](c2nnc[nH]2)C1)[N@H+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000330303220 259138717 /nfs/dbraw/zinc/13/87/17/259138717.db2.gz PABSJCIBCKXEIH-BZUAXINKSA-N 2 2 358.494 1.760 10 0 FDAELP CC[NH+](CC)[C@@H](C)CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051760989 523065891 /nfs/dbraw/zinc/06/58/91/523065891.db2.gz HLHZHTCKZVMGAS-INIZCTEOSA-N 3 2 353.555 1.575 10 0 FDAELP C[C@H](CNC(=O)NC[C@H](C)[NH+]1CCOCC1)[N@@H+]1CCc2sccc2C1 ZINC000077793373 523465130 /nfs/dbraw/zinc/46/51/30/523465130.db2.gz VWGOTUAHYUSLPF-LSDHHAIUSA-N 2 2 366.531 1.515 10 0 FDAELP C[C@H](CNC(=O)NC[C@H](C)[NH+]1CCOCC1)[N@H+]1CCc2sccc2C1 ZINC000077793373 523465137 /nfs/dbraw/zinc/46/51/37/523465137.db2.gz VWGOTUAHYUSLPF-LSDHHAIUSA-N 2 2 366.531 1.515 10 0 FDAELP C[C@H](CNC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)[NH+]1CCOCC1 ZINC000079653696 523779893 /nfs/dbraw/zinc/77/98/93/523779893.db2.gz SJSXOYFCAHSJGY-RHSMWYFYSA-N 2 2 352.454 1.448 10 0 FDAELP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H](C)[NH+]2CCOCC2)C1 ZINC000111453063 524285870 /nfs/dbraw/zinc/28/58/70/524285870.db2.gz OZOVRWWTEOTDJY-SJORKVTESA-N 2 2 354.539 1.907 10 0 FDAELP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H](C)[NH+]2CCOCC2)C1 ZINC000111453063 524285877 /nfs/dbraw/zinc/28/58/77/524285877.db2.gz OZOVRWWTEOTDJY-SJORKVTESA-N 2 2 354.539 1.907 10 0 FDAELP CCc1nnc(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)n1C ZINC000172983984 524295990 /nfs/dbraw/zinc/29/59/90/524295990.db2.gz KFOSBJWTOPLGCW-UHFFFAOYSA-N 2 2 364.538 1.294 10 0 FDAELP CCOCC[NH+]1CCN(C(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000111827284 524347997 /nfs/dbraw/zinc/34/79/97/524347997.db2.gz PHAAARSQOFOZTI-GOSISDBHSA-N 2 2 374.529 1.797 10 0 FDAELP CCOCC[NH+]1CCN(C(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000111827284 524348007 /nfs/dbraw/zinc/34/80/07/524348007.db2.gz PHAAARSQOFOZTI-GOSISDBHSA-N 2 2 374.529 1.797 10 0 FDAELP CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113514626 524692192 /nfs/dbraw/zinc/69/21/92/524692192.db2.gz YTVYLVVLILNNSN-IAGOWNOFSA-N 2 2 361.486 1.558 10 0 FDAELP CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113514626 524692201 /nfs/dbraw/zinc/69/22/01/524692201.db2.gz YTVYLVVLILNNSN-IAGOWNOFSA-N 2 2 361.486 1.558 10 0 FDAELP CCC[N@H+](CC)CCNC(=O)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000175776254 525006220 /nfs/dbraw/zinc/00/62/20/525006220.db2.gz WQCYRIZAAZJGAO-UHFFFAOYSA-N 2 2 364.538 1.596 10 0 FDAELP CCC[N@@H+](CC)CCNC(=O)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000175776254 525006230 /nfs/dbraw/zinc/00/62/30/525006230.db2.gz WQCYRIZAAZJGAO-UHFFFAOYSA-N 2 2 364.538 1.596 10 0 FDAELP C[C@@H](CNC(=O)N1CC[NH+](C2CCC(C)CC2)CC1)[NH+]1CCOCC1 ZINC000115653694 525037859 /nfs/dbraw/zinc/03/78/59/525037859.db2.gz NKMMLZQTJYRFRM-ADKAHSJRSA-N 2 2 352.523 1.613 10 0 FDAELP Cn1cc([C@@H]2CCN(C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)C2)cn1 ZINC000116429286 525150722 /nfs/dbraw/zinc/15/07/22/525150722.db2.gz JPEKMYUQDSWEPM-MRXNPFEDSA-N 2 2 374.533 1.478 10 0 FDAELP Cc1[nH+]c2ccccc2n1CCCNC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000117026354 525270716 /nfs/dbraw/zinc/27/07/16/525270716.db2.gz VFFYOKXBKOIJTR-MRXNPFEDSA-N 2 2 359.474 1.707 10 0 FDAELP CC[NH+](CC)CCOc1ccccc1NC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000105282562 525485353 /nfs/dbraw/zinc/48/53/53/525485353.db2.gz IPGVQKLBDUYDRT-INIZCTEOSA-N 2 2 364.490 1.859 10 0 FDAELP CC[NH+](CC)CCOc1ccccc1NC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000105282562 525485359 /nfs/dbraw/zinc/48/53/59/525485359.db2.gz IPGVQKLBDUYDRT-INIZCTEOSA-N 2 2 364.490 1.859 10 0 FDAELP CC[NH+](CC)CCN(Cc1cccs1)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000105283048 525486871 /nfs/dbraw/zinc/48/68/71/525486871.db2.gz HBZUPZQYZTZPLI-INIZCTEOSA-N 2 2 368.547 1.932 10 0 FDAELP CC[NH+](CC)CCN(Cc1cccs1)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000105283048 525486876 /nfs/dbraw/zinc/48/68/76/525486876.db2.gz HBZUPZQYZTZPLI-INIZCTEOSA-N 2 2 368.547 1.932 10 0 FDAELP CC1CC[NH+](C[C@@H]2CCCN(C(=O)NC[C@H]3C[N@H+](C)CCO3)C2)CC1 ZINC000105283445 525488480 /nfs/dbraw/zinc/48/84/80/525488480.db2.gz COHVKGXTRSHPQT-ROUUACIJSA-N 2 2 352.523 1.471 10 0 FDAELP CC1CC[NH+](C[C@@H]2CCCN(C(=O)NC[C@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC000105283445 525488488 /nfs/dbraw/zinc/48/84/88/525488488.db2.gz COHVKGXTRSHPQT-ROUUACIJSA-N 2 2 352.523 1.471 10 0 FDAELP C[NH+](C)C[C@H]1CN(C(=O)Nc2ccccc2C[NH+]2CCOCC2)CCO1 ZINC000118808958 525548586 /nfs/dbraw/zinc/54/85/86/525548586.db2.gz YSOLVIJEFMAMAQ-KRWDZBQOSA-N 2 2 362.474 1.313 10 0 FDAELP CC(C)CCNC(=O)[C@@H](C)[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000106121710 525613465 /nfs/dbraw/zinc/61/34/65/525613465.db2.gz FDANYMNWOLNUJB-MOPGFXCFSA-N 2 2 368.566 1.264 10 0 FDAELP CC(C)CCNC(=O)[C@@H](C)[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000106121710 525613473 /nfs/dbraw/zinc/61/34/73/525613473.db2.gz FDANYMNWOLNUJB-MOPGFXCFSA-N 2 2 368.566 1.264 10 0 FDAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+]([C@@H](C)C(=O)NC3CCCC3)CC2)C1 ZINC000106123363 525617457 /nfs/dbraw/zinc/61/74/57/525617457.db2.gz RVQBJWWYNRETEE-PKOBYXMFSA-N 2 2 366.550 1.161 10 0 FDAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+]([C@@H](C)C(=O)NC3CCCC3)CC2)C1 ZINC000106123363 525617465 /nfs/dbraw/zinc/61/74/65/525617465.db2.gz RVQBJWWYNRETEE-PKOBYXMFSA-N 2 2 366.550 1.161 10 0 FDAELP Cc1ncc(C[NH+]2CCN(C(=O)N[C@H]3CC[C@H]([NH+](C)C)C3)CC2)s1 ZINC000129565445 525668624 /nfs/dbraw/zinc/66/86/24/525668624.db2.gz UUNNPIWSMUMVKM-GJZGRUSLSA-N 2 2 351.520 1.761 10 0 FDAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000106214988 525676110 /nfs/dbraw/zinc/67/61/10/525676110.db2.gz CUABGQIDJIJNHI-NSHDSACASA-N 2 2 361.368 1.471 10 0 FDAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000106214988 525676118 /nfs/dbraw/zinc/67/61/18/525676118.db2.gz CUABGQIDJIJNHI-NSHDSACASA-N 2 2 361.368 1.471 10 0 FDAELP CNC(=O)c1ccc(C[NH2+]C[C@H]2CCCN2c2cc(NC)[nH+]cn2)cc1 ZINC000109005209 526054017 /nfs/dbraw/zinc/05/40/17/526054017.db2.gz MNCJLUZFIRTZIZ-MRXNPFEDSA-N 2 2 354.458 1.637 10 0 FDAELP C[C@@H](O)C[N@@H+]1CCN(Cc2c[nH+]c3ccc(Br)cn23)C[C@@H]1C ZINC000120578389 526114680 /nfs/dbraw/zinc/11/46/80/526114680.db2.gz KOSBZGLIPZSPLP-QWHCGFSZSA-N 2 2 367.291 1.984 10 0 FDAELP C[C@@H](O)C[N@H+]1CCN(Cc2c[nH+]c3ccc(Br)cn23)C[C@@H]1C ZINC000120578389 526114690 /nfs/dbraw/zinc/11/46/90/526114690.db2.gz KOSBZGLIPZSPLP-QWHCGFSZSA-N 2 2 367.291 1.984 10 0 FDAELP CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000171865628 526159593 /nfs/dbraw/zinc/15/95/93/526159593.db2.gz IWWYKYFRPRBUIO-AEFFLSMTSA-N 2 2 362.493 1.937 10 0 FDAELP CC[N@H+]1CCC[C@H](NC(=O)[C@@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000171865628 526159598 /nfs/dbraw/zinc/15/95/98/526159598.db2.gz IWWYKYFRPRBUIO-AEFFLSMTSA-N 2 2 362.493 1.937 10 0 FDAELP Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000183397570 535973817 /nfs/dbraw/zinc/97/38/17/535973817.db2.gz FSKSVDKGWHHZED-PZJWPPBQSA-N 2 2 361.530 1.805 10 0 FDAELP Cc1nc(N2CCN(C(=O)[C@@H](Cc3ccccc3)[NH+](C)C)CC2)cc[nH+]1 ZINC000185425729 536208129 /nfs/dbraw/zinc/20/81/29/536208129.db2.gz ACXNGKZNZSCLDZ-GOSISDBHSA-N 2 2 353.470 1.607 10 0 FDAELP CN1CC[NH+](Cc2cccc(-c3nc([C@H]4C[NH2+]CCN4C)no3)c2)CC1 ZINC000263263959 537004151 /nfs/dbraw/zinc/00/41/51/537004151.db2.gz RILCJRGFPCUUJY-QGZVFWFLSA-N 2 2 356.474 1.060 10 0 FDAELP CCOCC[N@@H+]1CCN(c2cc(N3CCC[C@H]3CO)[nH+]cn2)C[C@@H]1CC ZINC000246967420 537059966 /nfs/dbraw/zinc/05/99/66/537059966.db2.gz KCWBFSVHDGIVLV-IRXDYDNUSA-N 2 2 363.506 1.375 10 0 FDAELP CCOCC[N@H+]1CCN(c2cc(N3CCC[C@H]3CO)[nH+]cn2)C[C@@H]1CC ZINC000246967420 537059970 /nfs/dbraw/zinc/05/99/70/537059970.db2.gz KCWBFSVHDGIVLV-IRXDYDNUSA-N 2 2 363.506 1.375 10 0 FDAELP CNc1cc(N2CCC[C@H]2CNC(=O)[C@H](c2ccccc2)[NH+](C)C)nc[nH+]1 ZINC000246997211 537065835 /nfs/dbraw/zinc/06/58/35/537065835.db2.gz SZOSWDSTAYBVFH-LPHOPBHVSA-N 2 2 368.485 1.906 10 0 FDAELP CNc1cc(N2CCC[C@H]2CNC(=O)[C@H](c2ccccc2)[NH+](C)C)[nH+]cn1 ZINC000246997211 537065837 /nfs/dbraw/zinc/06/58/37/537065837.db2.gz SZOSWDSTAYBVFH-LPHOPBHVSA-N 2 2 368.485 1.906 10 0 FDAELP CNc1cc(N2CCC[C@@H]2CNC(=O)[C@H](c2ccccc2)[NH+](C)C)nc[nH+]1 ZINC000246997192 537066178 /nfs/dbraw/zinc/06/61/78/537066178.db2.gz SZOSWDSTAYBVFH-APWZRJJASA-N 2 2 368.485 1.906 10 0 FDAELP CNc1cc(N2CCC[C@@H]2CNC(=O)[C@H](c2ccccc2)[NH+](C)C)[nH+]cn1 ZINC000246997192 537066182 /nfs/dbraw/zinc/06/61/82/537066182.db2.gz SZOSWDSTAYBVFH-APWZRJJASA-N 2 2 368.485 1.906 10 0 FDAELP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](c2cccs2)[NH+]2CCO[C@H](C)C2)C1 ZINC000247092195 537080119 /nfs/dbraw/zinc/08/01/19/537080119.db2.gz VUPJDZJVTWHVEQ-OAGGEKHMSA-N 2 2 367.515 1.347 10 0 FDAELP CC[N@H+]1CCO[C@H](C(=O)NC[C@H](c2cccs2)[NH+]2CCO[C@H](C)C2)C1 ZINC000247092195 537080124 /nfs/dbraw/zinc/08/01/24/537080124.db2.gz VUPJDZJVTWHVEQ-OAGGEKHMSA-N 2 2 367.515 1.347 10 0 FDAELP CC[NH+]1CCO[C@H](C(=O)NC[C@H](c2cccs2)[N@@H+]2CCO[C@H](C)C2)C1 ZINC000247092195 537080125 /nfs/dbraw/zinc/08/01/25/537080125.db2.gz VUPJDZJVTWHVEQ-OAGGEKHMSA-N 2 2 367.515 1.347 10 0 FDAELP CC[NH+]1CCO[C@H](C(=O)NC[C@H](c2cccs2)[N@H+]2CCO[C@H](C)C2)C1 ZINC000247092195 537080129 /nfs/dbraw/zinc/08/01/29/537080129.db2.gz VUPJDZJVTWHVEQ-OAGGEKHMSA-N 2 2 367.515 1.347 10 0 FDAELP CC(=O)N[C@@H]1CCCN(C(=O)C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000189910600 537114184 /nfs/dbraw/zinc/11/41/84/537114184.db2.gz NEPVEMWYLAXMQB-CRAIPNDOSA-N 2 2 369.469 1.650 10 0 FDAELP CC(=O)N[C@H]1CCCN(C(=O)C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000189910565 537114525 /nfs/dbraw/zinc/11/45/25/537114525.db2.gz NEPVEMWYLAXMQB-QAPCUYQASA-N 2 2 369.469 1.650 10 0 FDAELP C[C@H](NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248404361 537177796 /nfs/dbraw/zinc/17/77/96/537177796.db2.gz QCMKTFYALIGFEI-YQVWRLOYSA-N 2 2 364.534 1.756 10 0 FDAELP C[C@H](NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248404361 537177798 /nfs/dbraw/zinc/17/77/98/537177798.db2.gz QCMKTFYALIGFEI-YQVWRLOYSA-N 2 2 364.534 1.756 10 0 FDAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000248713476 537208436 /nfs/dbraw/zinc/20/84/36/537208436.db2.gz BOTZRGDCQSVQRZ-RLLQIKCJSA-N 2 2 372.513 1.623 10 0 FDAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000248713476 537208437 /nfs/dbraw/zinc/20/84/37/537208437.db2.gz BOTZRGDCQSVQRZ-RLLQIKCJSA-N 2 2 372.513 1.623 10 0 FDAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CC(=O)NC(=O)NC2CCCC2)C1 ZINC000195288585 537390864 /nfs/dbraw/zinc/39/08/64/537390864.db2.gz NAHOAJHZORKXMW-QGZVFWFLSA-N 2 2 373.501 1.604 10 0 FDAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CC(=O)NC(=O)NC2CCCC2)C1 ZINC000195288585 537390870 /nfs/dbraw/zinc/39/08/70/537390870.db2.gz NAHOAJHZORKXMW-QGZVFWFLSA-N 2 2 373.501 1.604 10 0 FDAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](CC(=O)NC(=O)NC2CCCC2)C1 ZINC000195288585 537390877 /nfs/dbraw/zinc/39/08/77/537390877.db2.gz NAHOAJHZORKXMW-QGZVFWFLSA-N 2 2 373.501 1.604 10 0 FDAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CC(=O)NC(=O)NC2CCCC2)C1 ZINC000195288585 537390883 /nfs/dbraw/zinc/39/08/83/537390883.db2.gz NAHOAJHZORKXMW-QGZVFWFLSA-N 2 2 373.501 1.604 10 0 FDAELP O=S(=O)(CC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)c1ccc(Cl)cc1 ZINC000261839780 672681144 /nfs/dbraw/zinc/68/11/44/672681144.db2.gz AHZSQDIOUFNCOJ-BRWVUGGUSA-N 2 2 372.918 1.860 10 0 FDAELP C[C@H]1C[N@@H+](C2CC[NH+](CCc3nc4ccccc4c(=O)[nH]3)CC2)CCO1 ZINC000067400129 172010032 /nfs/dbraw/zinc/01/00/32/172010032.db2.gz XHJRJTLDRUSEOV-HNNXBMFYSA-N 2 2 356.470 1.651 10 0 FDAELP C[C@H]1C[N@H+](C2CC[NH+](CCc3nc4ccccc4c(=O)[nH]3)CC2)CCO1 ZINC000067400129 172010034 /nfs/dbraw/zinc/01/00/34/172010034.db2.gz XHJRJTLDRUSEOV-HNNXBMFYSA-N 2 2 356.470 1.651 10 0 FDAELP C[C@H](CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)[NH+]1CCOCC1 ZINC000071913286 172040422 /nfs/dbraw/zinc/04/04/22/172040422.db2.gz MDQSWMIJWQLNDR-IEBWSBKVSA-N 2 2 360.502 1.843 10 0 FDAELP C[C@H](CNC(=O)N(CC[NH+](C)C)Cc1cccs1)[NH+]1CCOCC1 ZINC000084417400 172212071 /nfs/dbraw/zinc/21/20/71/172212071.db2.gz FFCCWDAXZJOWSE-OAHLLOKOSA-N 2 2 354.520 1.542 10 0 FDAELP CC[C@@H]1CN(C(=O)NCCCNc2ccc(C)c[nH+]2)CC[N@@H+]1C[C@@H](C)O ZINC000133705356 173272473 /nfs/dbraw/zinc/27/24/73/173272473.db2.gz XWZRWIYKOLAHED-IAGOWNOFSA-N 2 2 363.506 1.679 10 0 FDAELP CC[C@@H]1CN(C(=O)NCCCNc2ccc(C)c[nH+]2)CC[N@H+]1C[C@@H](C)O ZINC000133705356 173272476 /nfs/dbraw/zinc/27/24/76/173272476.db2.gz XWZRWIYKOLAHED-IAGOWNOFSA-N 2 2 363.506 1.679 10 0 FDAELP CNC(=O)C[NH+]1CCC(CN(C)c2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000150933167 173385707 /nfs/dbraw/zinc/38/57/07/173385707.db2.gz SOPMDLGFRGRTJM-UHFFFAOYSA-N 2 2 360.506 1.361 10 0 FDAELP CNC(=O)C[NH+]1CCC(CN(C)c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000150933167 173385709 /nfs/dbraw/zinc/38/57/09/173385709.db2.gz SOPMDLGFRGRTJM-UHFFFAOYSA-N 2 2 360.506 1.361 10 0 FDAELP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000151295052 173397406 /nfs/dbraw/zinc/39/74/06/173397406.db2.gz FGTOFELJFAYTJN-UKRRQHHQSA-N 2 2 358.479 1.727 10 0 FDAELP Cc1ccc(NCCCNC(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)[nH+]c1 ZINC000175676140 174019211 /nfs/dbraw/zinc/01/92/11/174019211.db2.gz UIWSWUSXONBYKS-SJORKVTESA-N 2 2 361.490 1.554 10 0 FDAELP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H]3CCCC[C@H]3CO)CC2)CC1 ZINC000176020704 174045056 /nfs/dbraw/zinc/04/50/56/174045056.db2.gz NENHDRMICIXFII-YJBOKZPZSA-N 2 2 352.523 1.395 10 0 FDAELP O=C(NC1CC[NH+](Cc2ccncc2)CC1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173779934 258310513 /nfs/dbraw/zinc/31/05/13/258310513.db2.gz NSMWWBCWOPSZJX-IBGZPJMESA-N 2 2 373.501 1.162 10 0 FDAELP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000173790697 258310919 /nfs/dbraw/zinc/31/09/19/258310919.db2.gz QESLDXWUCAGVOG-KURKYZTESA-N 2 2 366.550 1.859 10 0 FDAELP Cc1nc(C[NH+](C)[C@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)no1 ZINC000329440276 259096100 /nfs/dbraw/zinc/09/61/00/259096100.db2.gz ACYLCIQAHMRVRV-XIRDDKMYSA-N 2 2 363.506 1.921 10 0 FDAELP Cc1nc(C[NH+](C)[C@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)no1 ZINC000329440276 259096101 /nfs/dbraw/zinc/09/61/01/259096101.db2.gz ACYLCIQAHMRVRV-XIRDDKMYSA-N 2 2 363.506 1.921 10 0 FDAELP Cc1nc(C[N@@H+](C)[C@H]2CCCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CC2)no1 ZINC000329440276 259096102 /nfs/dbraw/zinc/09/61/02/259096102.db2.gz ACYLCIQAHMRVRV-XIRDDKMYSA-N 2 2 363.506 1.921 10 0 FDAELP Cc1nc(C[N@H+](C)[C@H]2CCCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CC2)no1 ZINC000329440276 259096103 /nfs/dbraw/zinc/09/61/03/259096103.db2.gz ACYLCIQAHMRVRV-XIRDDKMYSA-N 2 2 363.506 1.921 10 0 FDAELP C[C@@H]1CN(C(=O)c2cccc3nccnc32)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000329681446 259107071 /nfs/dbraw/zinc/10/70/71/259107071.db2.gz RYLVGIXAGDLRIL-OAHLLOKOSA-N 2 2 353.470 1.870 10 0 FDAELP C[C@@H]1CN(C(=O)c2cccc3nccnc32)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000329681446 259107072 /nfs/dbraw/zinc/10/70/72/259107072.db2.gz RYLVGIXAGDLRIL-OAHLLOKOSA-N 2 2 353.470 1.870 10 0 FDAELP O=C([C@H]1CC[N@@H+]1Cc1ccccc1)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000333711525 259373166 /nfs/dbraw/zinc/37/31/66/259373166.db2.gz GLVTYWXJGMPUTG-RTBURBONSA-N 2 2 370.497 1.074 10 0 FDAELP O=C([C@H]1CC[N@H+]1Cc1ccccc1)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000333711525 259373167 /nfs/dbraw/zinc/37/31/67/259373167.db2.gz GLVTYWXJGMPUTG-RTBURBONSA-N 2 2 370.497 1.074 10 0 FDAELP CCOC(=O)C1CCN(C(=O)[C@@H](C)[NH+]2CCC([NH+]3CCCC3)CC2)CC1 ZINC000051952212 523096343 /nfs/dbraw/zinc/09/63/43/523096343.db2.gz JQGWUAJJYZVBKS-MRXNPFEDSA-N 2 2 365.518 1.737 10 0 FDAELP C[C@H](C(=O)NC1CC1)[NH+]1CCN(CC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC000173183051 524340745 /nfs/dbraw/zinc/34/07/45/524340745.db2.gz BCMXWILGCPOKGC-MRXNPFEDSA-N 2 2 362.493 1.542 10 0 FDAELP CNc1cc(N2CCC[C@@H]2CNC(=O)C2CC[NH+](C(C)C)CC2)nc[nH+]1 ZINC000173418551 524384114 /nfs/dbraw/zinc/38/41/14/524384114.db2.gz SYWUSDZFXHPUCS-MRXNPFEDSA-N 2 2 360.506 1.724 10 0 FDAELP CNc1cc(N2CCC[C@@H]2CNC(=O)C2CC[NH+](C(C)C)CC2)[nH+]cn1 ZINC000173418551 524384123 /nfs/dbraw/zinc/38/41/23/524384123.db2.gz SYWUSDZFXHPUCS-MRXNPFEDSA-N 2 2 360.506 1.724 10 0 FDAELP CNc1cc(N2CCC[C@H]2CNC(=O)[C@H](C)[NH+]2CCCCCC2)nc[nH+]1 ZINC000174742430 524720872 /nfs/dbraw/zinc/72/08/72/524720872.db2.gz ICGMSSWCBWTWPV-HOTGVXAUSA-N 2 2 360.506 1.868 10 0 FDAELP CNc1cc(N2CCC[C@H]2CNC(=O)[C@H](C)[NH+]2CCCCCC2)[nH+]cn1 ZINC000174742430 524720883 /nfs/dbraw/zinc/72/08/83/524720883.db2.gz ICGMSSWCBWTWPV-HOTGVXAUSA-N 2 2 360.506 1.868 10 0 FDAELP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000175035503 524846806 /nfs/dbraw/zinc/84/68/06/524846806.db2.gz PCCJGZXHAFMWAD-QZTJIDSGSA-N 2 2 359.518 1.717 10 0 FDAELP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000175035503 524846812 /nfs/dbraw/zinc/84/68/12/524846812.db2.gz PCCJGZXHAFMWAD-QZTJIDSGSA-N 2 2 359.518 1.717 10 0 FDAELP C[C@H](CCNC(=O)NC[C@@H](C)[NH+]1CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000175273207 524924998 /nfs/dbraw/zinc/92/49/98/524924998.db2.gz MAORBWYWBIYTRT-QZTJIDSGSA-N 2 2 362.518 1.917 10 0 FDAELP C[C@H](CCNC(=O)NC[C@@H](C)[NH+]1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000175273207 524925006 /nfs/dbraw/zinc/92/50/06/524925006.db2.gz MAORBWYWBIYTRT-QZTJIDSGSA-N 2 2 362.518 1.917 10 0 FDAELP Cn1cc([C@@H]2CC[N@H+](CC(=O)N3CC[NH+](Cc4ccco4)CC3)C2)cn1 ZINC000116309663 525131580 /nfs/dbraw/zinc/13/15/80/525131580.db2.gz ODWFCBHOEPPTHW-MRXNPFEDSA-N 2 2 357.458 1.147 10 0 FDAELP Cn1cc([C@@H]2CC[N@@H+](CC(=O)N3CC[NH+](Cc4ccco4)CC3)C2)cn1 ZINC000116309663 525131590 /nfs/dbraw/zinc/13/15/90/525131590.db2.gz ODWFCBHOEPPTHW-MRXNPFEDSA-N 2 2 357.458 1.147 10 0 FDAELP C[NH+](C)C[C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)CCO1 ZINC000116796776 525224036 /nfs/dbraw/zinc/22/40/36/525224036.db2.gz CULBWZRFSGOFEX-MSOLQXFVSA-N 2 2 363.527 1.566 10 0 FDAELP CC[N@@H+]1CCC[C@H]1CN(C)[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000177710804 525334081 /nfs/dbraw/zinc/33/40/81/525334081.db2.gz FWZMQBNUSZFFLC-ROUUACIJSA-N 2 2 359.518 1.535 10 0 FDAELP CC[N@H+]1CCC[C@H]1CN(C)[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000177710804 525334087 /nfs/dbraw/zinc/33/40/87/525334087.db2.gz FWZMQBNUSZFFLC-ROUUACIJSA-N 2 2 359.518 1.535 10 0 FDAELP CC[C@@H]1CN(C(=O)NCc2cccnc2-n2cc[nH+]c2)CC[N@@H+]1CCOC ZINC000117477147 525344870 /nfs/dbraw/zinc/34/48/70/525344870.db2.gz VIAHAEGZASFMDK-QGZVFWFLSA-N 2 2 372.473 1.520 10 0 FDAELP CC[C@@H]1CN(C(=O)NCc2cccnc2-n2cc[nH+]c2)CC[N@H+]1CCOC ZINC000117477147 525344880 /nfs/dbraw/zinc/34/48/80/525344880.db2.gz VIAHAEGZASFMDK-QGZVFWFLSA-N 2 2 372.473 1.520 10 0 FDAELP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177776987 525345827 /nfs/dbraw/zinc/34/58/27/525345827.db2.gz IUQNLLPRBVYVBX-QZTJIDSGSA-N 2 2 357.502 1.289 10 0 FDAELP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000177776987 525345834 /nfs/dbraw/zinc/34/58/34/525345834.db2.gz IUQNLLPRBVYVBX-QZTJIDSGSA-N 2 2 357.502 1.289 10 0 FDAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](CCOCC(F)(F)F)CC2)C1 ZINC000106120805 525612574 /nfs/dbraw/zinc/61/25/74/525612574.db2.gz SXIUERRYNUZSOO-OAHLLOKOSA-N 2 2 353.429 1.292 10 0 FDAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](CCOCC(F)(F)F)CC2)C1 ZINC000106120805 525612585 /nfs/dbraw/zinc/61/25/85/525612585.db2.gz SXIUERRYNUZSOO-OAHLLOKOSA-N 2 2 353.429 1.292 10 0 FDAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)NCCCN2CCCC2=O)C1 ZINC000106215659 525676004 /nfs/dbraw/zinc/67/60/04/525676004.db2.gz KAPOONZVDWKFDZ-INIZCTEOSA-N 2 2 361.490 1.211 10 0 FDAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)NCCCN2CCCC2=O)C1 ZINC000106215659 525676014 /nfs/dbraw/zinc/67/60/14/525676014.db2.gz KAPOONZVDWKFDZ-INIZCTEOSA-N 2 2 361.490 1.211 10 0 FDAELP CC[C@H](O)C[NH+]1CCN(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)CC1 ZINC000181774215 525927552 /nfs/dbraw/zinc/92/75/52/525927552.db2.gz AMFATYSNPYAVFV-KRWDZBQOSA-N 2 2 366.481 1.485 10 0 FDAELP CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[NH+](Cc3cscn3)CC2)C1 ZINC000171316952 525944383 /nfs/dbraw/zinc/94/43/83/525944383.db2.gz KFZCJLSUOFTGSE-OAHLLOKOSA-N 2 2 351.520 1.845 10 0 FDAELP CC[N@H+]1CCC[C@@H](NC(=O)N2CCC[NH+](Cc3cscn3)CC2)C1 ZINC000171316952 525944393 /nfs/dbraw/zinc/94/43/93/525944393.db2.gz KFZCJLSUOFTGSE-OAHLLOKOSA-N 2 2 351.520 1.845 10 0 FDAELP CC[NH+]1CCC[C@@H](NC(=O)N2CCC[N@H+](Cc3cscn3)CC2)C1 ZINC000171316952 525944405 /nfs/dbraw/zinc/94/44/05/525944405.db2.gz KFZCJLSUOFTGSE-OAHLLOKOSA-N 2 2 351.520 1.845 10 0 FDAELP CC[NH+]1CCC[C@@H](NC(=O)N2CCC[N@@H+](Cc3cscn3)CC2)C1 ZINC000171316952 525944411 /nfs/dbraw/zinc/94/44/11/525944411.db2.gz KFZCJLSUOFTGSE-OAHLLOKOSA-N 2 2 351.520 1.845 10 0 FDAELP O=C(NC[C@H](c1ccccc1)[NH+]1CCOCC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171901202 526173521 /nfs/dbraw/zinc/17/35/21/526173521.db2.gz FBROZUMADMKULZ-RTBURBONSA-N 2 2 358.486 1.550 10 0 FDAELP O=C(NC[C@H](c1ccccc1)[NH+]1CCOCC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171901202 526173528 /nfs/dbraw/zinc/17/35/28/526173528.db2.gz FBROZUMADMKULZ-RTBURBONSA-N 2 2 358.486 1.550 10 0 FDAELP CC[C@H](O)C[NH+]1CCN(C(=O)NCCCn2c(C)[nH+]c3ccccc32)CC1 ZINC000184722519 536179087 /nfs/dbraw/zinc/17/90/87/536179087.db2.gz HUEQPMXDISWHAV-KRWDZBQOSA-N 2 2 373.501 1.833 10 0 FDAELP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000246420897 536950824 /nfs/dbraw/zinc/95/08/24/536950824.db2.gz LUOPQIIXDBWLIO-QZTJIDSGSA-N 2 2 352.523 1.471 10 0 FDAELP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000246420897 536950830 /nfs/dbraw/zinc/95/08/30/536950830.db2.gz LUOPQIIXDBWLIO-QZTJIDSGSA-N 2 2 352.523 1.471 10 0 FDAELP CCC(CC)[C@H](C(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1)[NH+]1CCOCC1 ZINC000246613806 536990845 /nfs/dbraw/zinc/99/08/45/536990845.db2.gz CNUNWPMHTYBFLV-SOLBZPMBSA-N 2 2 355.523 1.037 10 0 FDAELP CCC(CC)[C@H](C(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1)[NH+]1CCOCC1 ZINC000246613806 536990850 /nfs/dbraw/zinc/99/08/50/536990850.db2.gz CNUNWPMHTYBFLV-SOLBZPMBSA-N 2 2 355.523 1.037 10 0 FDAELP O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000246839428 537037577 /nfs/dbraw/zinc/03/75/77/537037577.db2.gz DHWZIDNDGKURKO-WOJBJXKFSA-N 2 2 357.498 1.832 10 0 FDAELP O=C([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000246839428 537037578 /nfs/dbraw/zinc/03/75/78/537037578.db2.gz DHWZIDNDGKURKO-WOJBJXKFSA-N 2 2 357.498 1.832 10 0 FDAELP C[C@H]1C[N@@H+]([C@H](CNC(=O)C2CC[NH+](C)CC2)c2cccs2)CCO1 ZINC000246889987 537045748 /nfs/dbraw/zinc/04/57/48/537045748.db2.gz NBJAYBTYAARFIW-GOEBONIOSA-N 2 2 351.516 1.968 10 0 FDAELP C[C@H]1C[N@H+]([C@H](CNC(=O)C2CC[NH+](C)CC2)c2cccs2)CCO1 ZINC000246889987 537045751 /nfs/dbraw/zinc/04/57/51/537045751.db2.gz NBJAYBTYAARFIW-GOEBONIOSA-N 2 2 351.516 1.968 10 0 FDAELP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000246969726 537060970 /nfs/dbraw/zinc/06/09/70/537060970.db2.gz GAILWRTUXJAMST-VQIMIIECSA-N 3 2 365.566 1.573 10 0 FDAELP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000246969726 537060976 /nfs/dbraw/zinc/06/09/76/537060976.db2.gz GAILWRTUXJAMST-VQIMIIECSA-N 3 2 365.566 1.573 10 0 FDAELP CNC(=O)[C@H](NC(=O)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C)c1ccccc1 ZINC000246990234 537065047 /nfs/dbraw/zinc/06/50/47/537065047.db2.gz KCNAZRRMLNTWIB-IEBWSBKVSA-N 2 2 369.469 1.259 10 0 FDAELP CNC(=O)[C@H](NC(=O)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C)c1ccccc1 ZINC000246990234 537065049 /nfs/dbraw/zinc/06/50/49/537065049.db2.gz KCNAZRRMLNTWIB-IEBWSBKVSA-N 2 2 369.469 1.259 10 0 FDAELP C[C@@H]1C[N@H+]([C@H](CNC(=O)NC[C@H]2CCC[NH+]2C)c2cccs2)CCO1 ZINC000247179225 537090904 /nfs/dbraw/zinc/09/09/04/537090904.db2.gz ZRLRHTLAGTZNDH-BZUAXINKSA-N 2 2 366.531 1.903 10 0 FDAELP C[C@@H]1C[NH+]([C@H](CNC(=O)NC[C@H]2CCC[N@@H+]2C)c2cccs2)CCO1 ZINC000247179225 537090908 /nfs/dbraw/zinc/09/09/08/537090908.db2.gz ZRLRHTLAGTZNDH-BZUAXINKSA-N 2 2 366.531 1.903 10 0 FDAELP C[C@@H]1C[NH+]([C@H](CNC(=O)NC[C@H]2CCC[N@H+]2C)c2cccs2)CCO1 ZINC000247179225 537090910 /nfs/dbraw/zinc/09/09/10/537090910.db2.gz ZRLRHTLAGTZNDH-BZUAXINKSA-N 2 2 366.531 1.903 10 0 FDAELP C[C@@H]([NH2+]CC(=O)NCCCN1CCCC1=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000189899053 537112065 /nfs/dbraw/zinc/11/20/65/537112065.db2.gz NWFMCJTXZBDDIK-MRXNPFEDSA-N 2 2 369.469 1.652 10 0 FDAELP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C ZINC000248626427 537198581 /nfs/dbraw/zinc/19/85/81/537198581.db2.gz DUSOLYVPHHIMLF-RTBURBONSA-N 2 2 363.502 1.915 10 0 FDAELP CCCC[N@H+]1CCOC[C@@H]1C(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C ZINC000248626427 537198583 /nfs/dbraw/zinc/19/85/83/537198583.db2.gz DUSOLYVPHHIMLF-RTBURBONSA-N 2 2 363.502 1.915 10 0 FDAELP CC[N@H+](CC(=O)OC(C)(C)C)C1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000192241364 537222101 /nfs/dbraw/zinc/22/21/01/537222101.db2.gz JRSIWSYNDSLFJI-UHFFFAOYSA-N 2 2 374.489 1.996 10 0 FDAELP CC[N@@H+](CC(=O)OC(C)(C)C)C1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000192241364 537222103 /nfs/dbraw/zinc/22/21/03/537222103.db2.gz JRSIWSYNDSLFJI-UHFFFAOYSA-N 2 2 374.489 1.996 10 0 FDAELP CC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000249685603 537240519 /nfs/dbraw/zinc/24/05/19/537240519.db2.gz NSNCLZSFWUCBIS-DBVUQKKJSA-N 2 2 372.513 1.366 10 0 FDAELP CC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000249685603 537240520 /nfs/dbraw/zinc/24/05/20/537240520.db2.gz NSNCLZSFWUCBIS-DBVUQKKJSA-N 2 2 372.513 1.366 10 0 FDAELP CC(=O)N[C@@H]1CCC[NH+]([C@@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000249685603 537240521 /nfs/dbraw/zinc/24/05/21/537240521.db2.gz NSNCLZSFWUCBIS-DBVUQKKJSA-N 2 2 372.513 1.366 10 0 FDAELP CC(=O)N[C@@H]1CCC[NH+]([C@@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000249685603 537240522 /nfs/dbraw/zinc/24/05/22/537240522.db2.gz NSNCLZSFWUCBIS-DBVUQKKJSA-N 2 2 372.513 1.366 10 0 FDAELP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195281068 537389670 /nfs/dbraw/zinc/38/96/70/537389670.db2.gz BQHGXLHFMJOBLP-DOTOQJQBSA-N 2 2 361.490 1.458 10 0 FDAELP CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195281068 537389680 /nfs/dbraw/zinc/38/96/80/537389680.db2.gz BQHGXLHFMJOBLP-DOTOQJQBSA-N 2 2 361.490 1.458 10 0 FDAELP CC(C)NC(=O)NC(=O)[C@H](C)[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195281068 537389685 /nfs/dbraw/zinc/38/96/85/537389685.db2.gz BQHGXLHFMJOBLP-DOTOQJQBSA-N 2 2 361.490 1.458 10 0 FDAELP CC(C)NC(=O)NC(=O)[C@H](C)[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195281068 537389694 /nfs/dbraw/zinc/38/96/94/537389694.db2.gz BQHGXLHFMJOBLP-DOTOQJQBSA-N 2 2 361.490 1.458 10 0 FDAELP CN(Cc1ccc(C[N@H+]2CCC[C@@H](Cn3cc[nH+]c3)C2)o1)S(C)(=O)=O ZINC000229519810 672415220 /nfs/dbraw/zinc/41/52/20/672415220.db2.gz QPBWJIPWWWCFBF-OAHLLOKOSA-N 2 2 366.487 1.780 10 0 FDAELP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000245433231 178356713 /nfs/dbraw/zinc/35/67/13/178356713.db2.gz PCMKLETWCYZJMQ-OALUTQOASA-N 2 2 371.529 1.679 10 0 FDAELP CC[C@H]1C[N@H+]2CCC[C@H]2CN1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000245433231 178356714 /nfs/dbraw/zinc/35/67/14/178356714.db2.gz PCMKLETWCYZJMQ-OALUTQOASA-N 2 2 371.529 1.679 10 0 FDAELP C[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000245545443 178366472 /nfs/dbraw/zinc/36/64/72/178366472.db2.gz VHNQEIJOWQTRSN-HOTGVXAUSA-N 2 2 371.403 1.587 10 0 FDAELP C[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000245545443 178366473 /nfs/dbraw/zinc/36/64/73/178366473.db2.gz VHNQEIJOWQTRSN-HOTGVXAUSA-N 2 2 371.403 1.587 10 0 FDAELP C[C@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261717870 178608650 /nfs/dbraw/zinc/60/86/50/178608650.db2.gz NDPPTEBBBUBYRD-VKJFTORMSA-N 2 2 361.486 1.733 10 0 FDAELP C[C@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261717870 178608652 /nfs/dbraw/zinc/60/86/52/178608652.db2.gz NDPPTEBBBUBYRD-VKJFTORMSA-N 2 2 361.486 1.733 10 0 FDAELP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)NC(=O)NCc3ccco3)C2)[nH+]1 ZINC000171652460 258267830 /nfs/dbraw/zinc/26/78/30/258267830.db2.gz WDLWJGFDKOKWJL-HNNXBMFYSA-N 2 2 371.441 1.743 10 0 FDAELP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)NC(=O)NCc3ccco3)C2)[nH+]1 ZINC000171652460 258267831 /nfs/dbraw/zinc/26/78/31/258267831.db2.gz WDLWJGFDKOKWJL-HNNXBMFYSA-N 2 2 371.441 1.743 10 0 FDAELP CCc1nnc(C[NH+]2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)n1C ZINC000171753577 258269361 /nfs/dbraw/zinc/26/93/61/258269361.db2.gz HXEAZXOTSVRWIR-UHFFFAOYSA-N 2 2 362.522 1.144 10 0 FDAELP O=C([C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172750136 258283668 /nfs/dbraw/zinc/28/36/68/258283668.db2.gz DHWZIDNDGKURKO-PMACEKPBSA-N 2 2 357.498 1.832 10 0 FDAELP O=C([C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172750136 258283669 /nfs/dbraw/zinc/28/36/69/258283669.db2.gz DHWZIDNDGKURKO-PMACEKPBSA-N 2 2 357.498 1.832 10 0 FDAELP C[C@H](NC(=O)N1CCO[C@@H](C[NH+](C)C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173452777 258299618 /nfs/dbraw/zinc/29/96/18/258299618.db2.gz NHEISQBAKLNVNN-YJBOKZPZSA-N 2 2 357.458 1.905 10 0 FDAELP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC[C@H]2C[N@H+](C)CCO2)cc1F ZINC000104792219 172387244 /nfs/dbraw/zinc/38/72/44/172387244.db2.gz OPKUIXHHOCFZRW-HNNXBMFYSA-N 2 2 361.421 1.450 10 0 FDAELP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1F ZINC000104792219 172387245 /nfs/dbraw/zinc/38/72/45/172387245.db2.gz OPKUIXHHOCFZRW-HNNXBMFYSA-N 2 2 361.421 1.450 10 0 FDAELP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)c1 ZINC000151303133 173397032 /nfs/dbraw/zinc/39/70/32/173397032.db2.gz GYPHIDFBGKQLNW-HOCLYGCPSA-N 2 2 355.504 1.092 10 0 FDAELP Cc1[nH+]c2ccccc2n1CCNC(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000175636583 174016487 /nfs/dbraw/zinc/01/64/87/174016487.db2.gz LYJMWWHURFDICX-KXBFYZLASA-N 2 2 371.485 1.707 10 0 FDAELP C[C@H]1CN(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)C[C@@H]1[NH+]1CCOCC1 ZINC000175659668 174018192 /nfs/dbraw/zinc/01/81/92/174018192.db2.gz YKSHIHHJSKOMTH-WMZOPIPTSA-N 2 2 373.501 1.544 10 0 FDAELP O=C(NCc1ccc[nH+]c1N1CCOCC1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177390278 174127220 /nfs/dbraw/zinc/12/72/20/174127220.db2.gz KWYXPLPXRXTVFJ-QGZVFWFLSA-N 2 2 370.457 1.489 10 0 FDAELP O=C(NC1CC[NH+](Cc2ccccn2)CC1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173779053 258310754 /nfs/dbraw/zinc/31/07/54/258310754.db2.gz MCHHXNJWXHCDDN-IBGZPJMESA-N 2 2 373.501 1.162 10 0 FDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)N1CC(=O)Nc2ccccc21 ZINC000178751643 258334267 /nfs/dbraw/zinc/33/42/67/258334267.db2.gz GSGGQULXDSUNAJ-HNNXBMFYSA-N 2 2 353.426 1.641 10 0 FDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)N1CC(=O)Nc2ccccc21 ZINC000178751643 258334268 /nfs/dbraw/zinc/33/42/68/258334268.db2.gz GSGGQULXDSUNAJ-HNNXBMFYSA-N 2 2 353.426 1.641 10 0 FDAELP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)CC1 ZINC000179281846 258347828 /nfs/dbraw/zinc/34/78/28/258347828.db2.gz ZEIFSCJHUKKZEM-APWZRJJASA-N 2 2 352.523 1.349 10 0 FDAELP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000247539637 258399287 /nfs/dbraw/zinc/39/92/87/258399287.db2.gz YGCMWRRWCOLBIC-PXNSSMCTSA-N 2 2 372.513 1.897 10 0 FDAELP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000247539637 258399288 /nfs/dbraw/zinc/39/92/88/258399288.db2.gz YGCMWRRWCOLBIC-PXNSSMCTSA-N 2 2 372.513 1.897 10 0 FDAELP NC(=O)C[NH+]1CCC(C(=O)N[C@H](CCn2cc[nH+]c2)c2ccccc2)CC1 ZINC000097679926 222205731 /nfs/dbraw/zinc/20/57/31/222205731.db2.gz ZRJLLMYJMNZYBE-GOSISDBHSA-N 2 2 369.469 1.328 10 0 FDAELP Cn1cc([C@@H](CNc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)[NH+](C)C)cn1 ZINC000301259777 259024450 /nfs/dbraw/zinc/02/44/50/259024450.db2.gz CNJGOQRJOMHIHX-GDBMZVCRSA-N 2 2 359.478 1.134 10 0 FDAELP Cc1[nH+]ccn1-c1cncc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1 ZINC000301823699 259034589 /nfs/dbraw/zinc/03/45/89/259034589.db2.gz NLEJWPZQNURXKW-UHFFFAOYSA-N 2 2 369.473 1.105 10 0 FDAELP Cc1[nH+]ccn1-c1cncc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1 ZINC000301823699 259034590 /nfs/dbraw/zinc/03/45/90/259034590.db2.gz NLEJWPZQNURXKW-UHFFFAOYSA-N 2 2 369.473 1.105 10 0 FDAELP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC000052527162 523193557 /nfs/dbraw/zinc/19/35/57/523193557.db2.gz IWDXWSUFDAKMFZ-OALUTQOASA-N 2 2 360.502 1.843 10 0 FDAELP CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC000052527162 523193567 /nfs/dbraw/zinc/19/35/67/523193567.db2.gz IWDXWSUFDAKMFZ-OALUTQOASA-N 2 2 360.502 1.843 10 0 FDAELP CC(=O)Nc1ccc(C[NH+]2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)cc1 ZINC000121042320 524134008 /nfs/dbraw/zinc/13/40/08/524134008.db2.gz UHXDYRBMGJWDFJ-NRFANRHFSA-N 2 2 374.529 1.872 10 0 FDAELP CC(=O)Nc1ccc(C[NH+]2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)cc1 ZINC000121042320 524134015 /nfs/dbraw/zinc/13/40/15/524134015.db2.gz UHXDYRBMGJWDFJ-NRFANRHFSA-N 2 2 374.529 1.872 10 0 FDAELP O=C(CN1CC[N@@H+]2CCCC[C@@H]2C1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000172803798 524277661 /nfs/dbraw/zinc/27/76/61/524277661.db2.gz MOMKIQHCKVBWNZ-HXUWFJFHSA-N 2 2 372.513 1.627 10 0 FDAELP O=C(CN1CC[N@H+]2CCCC[C@@H]2C1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000172803798 524277669 /nfs/dbraw/zinc/27/76/69/524277669.db2.gz MOMKIQHCKVBWNZ-HXUWFJFHSA-N 2 2 372.513 1.627 10 0 FDAELP CNc1cc(N2CCC[C@@H]2CNC(=O)c2cccc(C[NH+](C)C)c2)nc[nH+]1 ZINC000174745430 524720111 /nfs/dbraw/zinc/72/01/11/524720111.db2.gz JVMSKBRVMBVEHL-QGZVFWFLSA-N 2 2 368.485 1.979 10 0 FDAELP CNc1cc(N2CCC[C@@H]2CNC(=O)c2cccc(C[NH+](C)C)c2)[nH+]cn1 ZINC000174745430 524720116 /nfs/dbraw/zinc/72/01/16/524720116.db2.gz JVMSKBRVMBVEHL-QGZVFWFLSA-N 2 2 368.485 1.979 10 0 FDAELP CNc1cc(N2CCC[C@@H]2CNC(=O)[C@@H](C)[NH+]2CCCCCC2)nc[nH+]1 ZINC000174742461 524720513 /nfs/dbraw/zinc/72/05/13/524720513.db2.gz ICGMSSWCBWTWPV-HZPDHXFCSA-N 2 2 360.506 1.868 10 0 FDAELP CNc1cc(N2CCC[C@@H]2CNC(=O)[C@@H](C)[NH+]2CCCCCC2)[nH+]cn1 ZINC000174742461 524720519 /nfs/dbraw/zinc/72/05/19/524720519.db2.gz ICGMSSWCBWTWPV-HZPDHXFCSA-N 2 2 360.506 1.868 10 0 FDAELP Cc1cc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)nc(C2CC2)[nH+]1 ZINC000116261052 525124230 /nfs/dbraw/zinc/12/42/30/525124230.db2.gz KBQXZWBUFMGYJB-GOSISDBHSA-N 2 2 359.518 1.894 10 0 FDAELP Cc1cc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)nc(C2CC2)[nH+]1 ZINC000116261052 525124238 /nfs/dbraw/zinc/12/42/38/525124238.db2.gz KBQXZWBUFMGYJB-GOSISDBHSA-N 2 2 359.518 1.894 10 0 FDAELP C[C@@H](CNC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000126506740 525318131 /nfs/dbraw/zinc/31/81/31/525318131.db2.gz WSAOEDSBUPMGKX-INIZCTEOSA-N 2 2 364.490 1.606 10 0 FDAELP CC[C@H]1CN(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)CC[N@@H+]1CCOC ZINC000117474392 525346610 /nfs/dbraw/zinc/34/66/10/525346610.db2.gz DTPIVXVWYSHKHY-ROUUACIJSA-N 2 2 370.538 1.095 10 0 FDAELP CC[C@H]1CN(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)CC[N@H+]1CCOC ZINC000117474392 525346614 /nfs/dbraw/zinc/34/66/14/525346614.db2.gz DTPIVXVWYSHKHY-ROUUACIJSA-N 2 2 370.538 1.095 10 0 FDAELP CC[NH+]1CCN(C(=O)[C@@H](C)N2CC[NH+](Cc3cnc(C)s3)CC2)CC1 ZINC000106091554 525572338 /nfs/dbraw/zinc/57/23/38/525572338.db2.gz XKMDSBVVDFODRU-OAHLLOKOSA-N 2 2 365.547 1.122 10 0 FDAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](CCC(=O)NC3CCCC3)CC2)C1 ZINC000106120394 525612205 /nfs/dbraw/zinc/61/22/05/525612205.db2.gz SKCWLUQPZQOGRQ-LJQANCHMSA-N 2 2 366.550 1.162 10 0 FDAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](CCC(=O)NC3CCCC3)CC2)C1 ZINC000106120394 525612217 /nfs/dbraw/zinc/61/22/17/525612217.db2.gz SKCWLUQPZQOGRQ-LJQANCHMSA-N 2 2 366.550 1.162 10 0 FDAELP C[N@H+](C[C@@H](O)COCc1ccco1)C1CC[NH+](CCn2cccn2)CC1 ZINC000155111191 525749003 /nfs/dbraw/zinc/74/90/03/525749003.db2.gz HCRKJXUVNUECIW-GOSISDBHSA-N 2 2 362.474 1.450 10 0 FDAELP C[N@@H+](C[C@@H](O)COCc1ccco1)C1CC[NH+](CCn2cccn2)CC1 ZINC000155111191 525749009 /nfs/dbraw/zinc/74/90/09/525749009.db2.gz HCRKJXUVNUECIW-GOSISDBHSA-N 2 2 362.474 1.450 10 0 FDAELP CC(C)Cn1cc[nH+]c1CNC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000181834322 525947151 /nfs/dbraw/zinc/94/71/51/525947151.db2.gz NZSZMSOKUSVHHS-INIZCTEOSA-N 2 2 365.522 1.773 10 0 FDAELP O=C([C@@H](c1ccccc1)[NH+]1CCC(O)CC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000171451639 525999656 /nfs/dbraw/zinc/99/96/56/525999656.db2.gz HWDGYOQOHGRHAX-UYAOXDASSA-N 2 2 357.498 1.881 10 0 FDAELP O=C([C@@H](c1ccccc1)[NH+]1CCC(O)CC1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000171451639 525999662 /nfs/dbraw/zinc/99/96/62/525999662.db2.gz HWDGYOQOHGRHAX-UYAOXDASSA-N 2 2 357.498 1.881 10 0 FDAELP CNC(=O)c1ccc(C[NH2+]C[C@@H]2CCCN2c2cc(NC)[nH+]cn2)cc1 ZINC000109005212 526054985 /nfs/dbraw/zinc/05/49/85/526054985.db2.gz MNCJLUZFIRTZIZ-INIZCTEOSA-N 2 2 354.458 1.637 10 0 FDAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](CCC(=O)c3ccccc3)CC2)C1 ZINC000182236170 526105747 /nfs/dbraw/zinc/10/57/47/526105747.db2.gz ODQFNADUIZFLCE-HXUWFJFHSA-N 2 2 359.514 1.986 10 0 FDAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](CCC(=O)c3ccccc3)CC2)C1 ZINC000182236170 526105756 /nfs/dbraw/zinc/10/57/56/526105756.db2.gz ODQFNADUIZFLCE-HXUWFJFHSA-N 2 2 359.514 1.986 10 0 FDAELP Cc1ncc(C[NH+]2CCN(C(=O)CCCC[NH+]3CCOCC3)CC2)s1 ZINC000171862995 526154624 /nfs/dbraw/zinc/15/46/24/526154624.db2.gz NUHMOEWLNQEIBQ-UHFFFAOYSA-N 2 2 366.531 1.598 10 0 FDAELP OC[C@@H]1CCCN1c1cc(NC2CC[NH+](Cc3ccccn3)CC2)nc[nH+]1 ZINC000110228384 526230739 /nfs/dbraw/zinc/23/07/39/526230739.db2.gz DYYWRQAKZVPOLQ-SFHVURJKSA-N 2 2 368.485 1.909 10 0 FDAELP OC[C@@H]1CCCN1c1cc(NC2CC[NH+](Cc3ccccn3)CC2)[nH+]cn1 ZINC000110228384 526230747 /nfs/dbraw/zinc/23/07/47/526230747.db2.gz DYYWRQAKZVPOLQ-SFHVURJKSA-N 2 2 368.485 1.909 10 0 FDAELP CC[C@@H](O)C[NH+]1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)CC1 ZINC000184922855 536191607 /nfs/dbraw/zinc/19/16/07/536191607.db2.gz KJLFXXACSRXMRN-QGZVFWFLSA-N 2 2 372.473 1.174 10 0 FDAELP Cc1cc2[nH+]cn(C[C@@H](O)C[NH+]3CC(NC(=O)C4CCC4)C3)c2cc1C ZINC000185939383 536222171 /nfs/dbraw/zinc/22/21/71/536222171.db2.gz ANDCBIDAZOOXJQ-KRWDZBQOSA-N 2 2 356.470 1.615 10 0 FDAELP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000246309922 536923837 /nfs/dbraw/zinc/92/38/37/536923837.db2.gz NOCBKIGLCPHIDO-MSOLQXFVSA-N 2 2 373.501 1.686 10 0 FDAELP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000246309922 536923840 /nfs/dbraw/zinc/92/38/40/536923840.db2.gz NOCBKIGLCPHIDO-MSOLQXFVSA-N 2 2 373.501 1.686 10 0 FDAELP C[N@@H+]1CCO[C@H](CNC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000246396180 536943596 /nfs/dbraw/zinc/94/35/96/536943596.db2.gz JFAITGJHMAIUJJ-HZPDHXFCSA-N 2 2 350.463 1.436 10 0 FDAELP C[N@H+]1CCO[C@H](CNC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000246396180 536943598 /nfs/dbraw/zinc/94/35/98/536943598.db2.gz JFAITGJHMAIUJJ-HZPDHXFCSA-N 2 2 350.463 1.436 10 0 FDAELP C[C@@H]1C[N@@H+](CCCCNc2cc(N3CCC[C@H]3CO)[nH+]cn2)C[C@H](C)O1 ZINC000246420643 536948872 /nfs/dbraw/zinc/94/88/72/536948872.db2.gz AMAAWVAHPDHFOZ-BBWFWOEESA-N 2 2 363.506 1.739 10 0 FDAELP C[C@@H]1C[N@H+](CCCCNc2cc(N3CCC[C@H]3CO)[nH+]cn2)C[C@H](C)O1 ZINC000246420643 536948874 /nfs/dbraw/zinc/94/88/74/536948874.db2.gz AMAAWVAHPDHFOZ-BBWFWOEESA-N 2 2 363.506 1.739 10 0 FDAELP C[C@@H]1C[N@H+](CCCCNc2cc(N3CCC[C@H]3CO)nc[nH+]2)C[C@H](C)O1 ZINC000246420643 536948880 /nfs/dbraw/zinc/94/88/80/536948880.db2.gz AMAAWVAHPDHFOZ-BBWFWOEESA-N 2 2 363.506 1.739 10 0 FDAELP Cc1nc(C[NH+]2CCC(CNC(=O)[C@H]3CC(F)(F)C[NH2+]3)CC2)cs1 ZINC000263230789 536997017 /nfs/dbraw/zinc/99/70/17/536997017.db2.gz NJOOHQHGDPAMFP-CQSZACIVSA-N 2 2 358.458 1.777 10 0 FDAELP O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263229065 536997094 /nfs/dbraw/zinc/99/70/94/536997094.db2.gz NEMRUEMFAOTRIP-OAHLLOKOSA-N 2 2 372.847 1.575 10 0 FDAELP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000247089401 537080531 /nfs/dbraw/zinc/08/05/31/537080531.db2.gz ICLZQJZICXTWPK-WBVHZDCISA-N 2 2 359.474 1.296 10 0 FDAELP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000247089401 537080533 /nfs/dbraw/zinc/08/05/33/537080533.db2.gz ICLZQJZICXTWPK-WBVHZDCISA-N 2 2 359.474 1.296 10 0 FDAELP CC(C)[C@@H](C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000247249477 537101346 /nfs/dbraw/zinc/10/13/46/537101346.db2.gz YTEQBHSXPJUQQY-QTMHVTGLSA-N 2 2 367.534 1.299 10 0 FDAELP CC(C)[C@@H](C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000247249477 537101350 /nfs/dbraw/zinc/10/13/50/537101350.db2.gz YTEQBHSXPJUQQY-QTMHVTGLSA-N 2 2 367.534 1.299 10 0 FDAELP C[NH+]1CCN(c2ncc(C[N@H+]3C[C@@H](C[NH3+])[C@H](c4ccccc4)C3)cn2)CC1 ZINC000261796300 537253166 /nfs/dbraw/zinc/25/31/66/537253166.db2.gz VLQLUMADSRSLMX-UXHICEINSA-N 3 2 366.513 1.403 10 0 FDAELP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H]2CCC[NH+]2Cc2ccc(F)cc2)C[C@H]1C ZINC000245415984 537656665 /nfs/dbraw/zinc/65/66/65/537656665.db2.gz HGIISAHFYHWWMJ-JTDSTZFVSA-N 2 2 363.477 1.704 10 0 FDAELP C[C@H](O)C[N@H+]1CCN(C(=O)[C@H]2CCC[NH+]2Cc2ccc(F)cc2)C[C@H]1C ZINC000245415984 537656668 /nfs/dbraw/zinc/65/66/68/537656668.db2.gz HGIISAHFYHWWMJ-JTDSTZFVSA-N 2 2 363.477 1.704 10 0 FDAELP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)C[C@H]1C ZINC000245415984 537656672 /nfs/dbraw/zinc/65/66/72/537656672.db2.gz HGIISAHFYHWWMJ-JTDSTZFVSA-N 2 2 363.477 1.704 10 0 FDAELP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)C[C@H]1C ZINC000245415984 537656677 /nfs/dbraw/zinc/65/66/77/537656677.db2.gz HGIISAHFYHWWMJ-JTDSTZFVSA-N 2 2 363.477 1.704 10 0 FDAELP CC(C)(C)OC(=O)N1CC[NH2+][C@@H](c2cnnn2[C@H]2CCC[NH2+]CC2)C1 ZINC000725266222 571151300 /nfs/dbraw/zinc/15/13/00/571151300.db2.gz ZWNUIISAMSEEMK-UONOGXRCSA-N 2 2 350.467 1.474 10 0 FDAELP COc1cc[nH+]c(CN(C)C2CC[NH+](CCn3cccn3)CC2)c1OC ZINC000190524462 178007176 /nfs/dbraw/zinc/00/71/76/178007176.db2.gz GFXKJLOEMFLLPK-UHFFFAOYSA-N 2 2 359.474 1.892 10 0 FDAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CC(=O)NCc2cccnc2)C1 ZINC000195296359 178254639 /nfs/dbraw/zinc/25/46/39/178254639.db2.gz BOHDPNBKSVJAHT-LJQANCHMSA-N 2 2 353.470 1.547 10 0 FDAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CC(=O)NCc2cccnc2)C1 ZINC000195296359 178254640 /nfs/dbraw/zinc/25/46/40/178254640.db2.gz BOHDPNBKSVJAHT-LJQANCHMSA-N 2 2 353.470 1.547 10 0 FDAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](CC(=O)NCc2cccnc2)C1 ZINC000195296359 178254642 /nfs/dbraw/zinc/25/46/42/178254642.db2.gz BOHDPNBKSVJAHT-LJQANCHMSA-N 2 2 353.470 1.547 10 0 FDAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CC(=O)NCc2cccnc2)C1 ZINC000195296359 178254644 /nfs/dbraw/zinc/25/46/44/178254644.db2.gz BOHDPNBKSVJAHT-LJQANCHMSA-N 2 2 353.470 1.547 10 0 FDAELP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)C[C@H](C)O1 ZINC000195294585 178254695 /nfs/dbraw/zinc/25/46/95/178254695.db2.gz GKBZIWQWPXWRAE-ZIFCJYIRSA-N 2 2 360.502 1.471 10 0 FDAELP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)C[C@H](C)O1 ZINC000195294585 178254696 /nfs/dbraw/zinc/25/46/96/178254696.db2.gz GKBZIWQWPXWRAE-ZIFCJYIRSA-N 2 2 360.502 1.471 10 0 FDAELP C[C@@H]1CN(C(=O)C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)C[C@H](C)O1 ZINC000195294585 178254697 /nfs/dbraw/zinc/25/46/97/178254697.db2.gz GKBZIWQWPXWRAE-ZIFCJYIRSA-N 2 2 360.502 1.471 10 0 FDAELP C[C@@H]1CN(C(=O)C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)C[C@H](C)O1 ZINC000195294585 178254698 /nfs/dbraw/zinc/25/46/98/178254698.db2.gz GKBZIWQWPXWRAE-ZIFCJYIRSA-N 2 2 360.502 1.471 10 0 FDAELP O=C(C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)N1CC(=O)Nc2ccccc21 ZINC000171646927 258266832 /nfs/dbraw/zinc/26/68/32/258266832.db2.gz FCDFTIWVMRVBDL-HNNXBMFYSA-N 2 2 365.437 1.801 10 0 FDAELP O=C(C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)N1CC(=O)Nc2ccccc21 ZINC000171646927 258266833 /nfs/dbraw/zinc/26/68/33/258266833.db2.gz FCDFTIWVMRVBDL-HNNXBMFYSA-N 2 2 365.437 1.801 10 0 FDAELP C[NH+]1CCC(CNC(=O)N[C@H]2CCCC[C@@H]2CO)([NH+]2CCCCC2)CC1 ZINC000081502799 172190558 /nfs/dbraw/zinc/19/05/58/172190558.db2.gz DGLMGBPZJABVEA-MSOLQXFVSA-N 2 2 366.550 1.787 10 0 FDAELP C[C@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)[NH+]1CCOCC1 ZINC000103305028 172363991 /nfs/dbraw/zinc/36/39/91/172363991.db2.gz ZTRQAUDSEOOSJJ-MOPGFXCFSA-N 2 2 366.550 1.861 10 0 FDAELP O=C(C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000140358377 173375841 /nfs/dbraw/zinc/37/58/41/173375841.db2.gz MGDXDPMKCTYGHF-YLJYHZDGSA-N 2 2 361.486 1.551 10 0 FDAELP O=C(C[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000140358377 173375842 /nfs/dbraw/zinc/37/58/42/173375842.db2.gz MGDXDPMKCTYGHF-YLJYHZDGSA-N 2 2 361.486 1.551 10 0 FDAELP Cc1ccc(NCCCNC(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)[nH+]c1 ZINC000175676109 174019563 /nfs/dbraw/zinc/01/95/63/174019563.db2.gz UIWSWUSXONBYKS-IAGOWNOFSA-N 2 2 361.490 1.554 10 0 FDAELP O=C(CC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)NC(=O)NCC(F)(F)F ZINC000177034644 174102587 /nfs/dbraw/zinc/10/25/87/174102587.db2.gz KWPFVBSTRKCAOQ-GFCCVEGCSA-N 2 2 373.379 1.594 10 0 FDAELP O=C(CC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)NC(=O)NCC(F)(F)F ZINC000177034644 174102588 /nfs/dbraw/zinc/10/25/88/174102588.db2.gz KWPFVBSTRKCAOQ-GFCCVEGCSA-N 2 2 373.379 1.594 10 0 FDAELP C[NH+]1CCC(CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)([NH+]2CCCCC2)CC1 ZINC000173510143 258301656 /nfs/dbraw/zinc/30/16/56/258301656.db2.gz PSFJNTQLIRRQNE-SFHVURJKSA-N 3 2 363.550 1.426 10 0 FDAELP C[NH+]1CCC(CNC(=O)N2CC[N@H+]3CCC[C@H]3C2)([NH+]2CCCCC2)CC1 ZINC000173510143 258301657 /nfs/dbraw/zinc/30/16/57/258301657.db2.gz PSFJNTQLIRRQNE-SFHVURJKSA-N 3 2 363.550 1.426 10 0 FDAELP O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173787347 258311097 /nfs/dbraw/zinc/31/10/97/258311097.db2.gz DZWDWJAWICWSPK-PMACEKPBSA-N 2 2 372.513 1.767 10 0 FDAELP C[NH+](C)[C@@H](CNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)c1ccc(F)cc1 ZINC000173892024 258313915 /nfs/dbraw/zinc/31/39/15/258313915.db2.gz OSCUYTFKFIDMMH-ROUUACIJSA-N 2 2 364.465 1.545 10 0 FDAELP CNc1cc(N2CCC[C@H]2CNC(=O)NCC[NH+]2CCCCC2)[nH+]cn1 ZINC000174000376 258316534 /nfs/dbraw/zinc/31/65/34/258316534.db2.gz NMPHJJOBCBTLIB-HNNXBMFYSA-N 2 2 361.494 1.272 10 0 FDAELP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000177071316 258325955 /nfs/dbraw/zinc/32/59/55/258325955.db2.gz KIOVDTBUENHVKO-QGZVFWFLSA-N 2 2 369.469 1.968 10 0 FDAELP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000177071316 258325956 /nfs/dbraw/zinc/32/59/56/258325956.db2.gz KIOVDTBUENHVKO-QGZVFWFLSA-N 2 2 369.469 1.968 10 0 FDAELP O=C([C@@H]1COCC[N@@H+]1CC1CCC1)N1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000333571926 259360251 /nfs/dbraw/zinc/36/02/51/259360251.db2.gz MPMYTDTWAWUACB-IBGZPJMESA-N 2 2 373.501 1.151 10 0 FDAELP O=C([C@@H]1COCC[N@H+]1CC1CCC1)N1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000333571926 259360252 /nfs/dbraw/zinc/36/02/52/259360252.db2.gz MPMYTDTWAWUACB-IBGZPJMESA-N 2 2 373.501 1.151 10 0 FDAELP CC[N@@H+]1CCC[C@H](NC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000052501818 523186197 /nfs/dbraw/zinc/18/61/97/523186197.db2.gz RMOUCCGOKXOWHU-IBGZPJMESA-N 2 2 360.502 1.802 10 0 FDAELP CC[N@H+]1CCC[C@H](NC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000052501818 523186204 /nfs/dbraw/zinc/18/62/04/523186204.db2.gz RMOUCCGOKXOWHU-IBGZPJMESA-N 2 2 360.502 1.802 10 0 FDAELP CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC000052594772 523213645 /nfs/dbraw/zinc/21/36/45/523213645.db2.gz CKFLHKMDCQUUKP-GOSISDBHSA-N 2 2 360.502 1.877 10 0 FDAELP CC[N@H+]1CCC[C@@H](NC(=O)N2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC000052594772 523213656 /nfs/dbraw/zinc/21/36/56/523213656.db2.gz CKFLHKMDCQUUKP-GOSISDBHSA-N 2 2 360.502 1.877 10 0 FDAELP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000172057122 524103811 /nfs/dbraw/zinc/10/38/11/524103811.db2.gz CIOQHBINXCDGLG-IRXDYDNUSA-N 2 2 368.485 1.342 10 0 FDAELP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000172057122 524103819 /nfs/dbraw/zinc/10/38/19/524103819.db2.gz CIOQHBINXCDGLG-IRXDYDNUSA-N 2 2 368.485 1.342 10 0 FDAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](Cc3c[nH]nc3C(C)(C)C)CC2)C1 ZINC000121059005 524140516 /nfs/dbraw/zinc/14/05/16/524140516.db2.gz GIMKBTNBVXCXFW-SFHVURJKSA-N 2 2 363.550 1.934 10 0 FDAELP CCC[C@H](C(=O)NCc1ccccc1OCC[NH+]1CCOCC1)[NH+](C)C ZINC000123105198 524681520 /nfs/dbraw/zinc/68/15/20/524681520.db2.gz JMVYOMFQJRESIC-GOSISDBHSA-N 2 2 363.502 1.744 10 0 FDAELP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000113608257 524705539 /nfs/dbraw/zinc/70/55/39/524705539.db2.gz HOSGHQHUTBQMNB-VQIMIIECSA-N 3 2 363.550 1.423 10 0 FDAELP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000113608257 524705543 /nfs/dbraw/zinc/70/55/43/524705543.db2.gz HOSGHQHUTBQMNB-VQIMIIECSA-N 3 2 363.550 1.423 10 0 FDAELP CC[N@H+](CCNC(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1)C1CC1 ZINC000117043117 525276667 /nfs/dbraw/zinc/27/66/67/525276667.db2.gz KYKBGPZJJJIZPT-LJQANCHMSA-N 2 2 360.502 1.532 10 0 FDAELP CC[N@@H+](CCNC(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1)C1CC1 ZINC000117043117 525276678 /nfs/dbraw/zinc/27/66/78/525276678.db2.gz KYKBGPZJJJIZPT-LJQANCHMSA-N 2 2 360.502 1.532 10 0 FDAELP COCC[N@@H+]1CCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)C[C@H]1C ZINC000117479708 525346741 /nfs/dbraw/zinc/34/67/41/525346741.db2.gz JACPBZPYZBRWML-MRXNPFEDSA-N 2 2 361.490 1.413 10 0 FDAELP COCC[N@H+]1CCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)C[C@H]1C ZINC000117479708 525346749 /nfs/dbraw/zinc/34/67/49/525346749.db2.gz JACPBZPYZBRWML-MRXNPFEDSA-N 2 2 361.490 1.413 10 0 FDAELP C[N@@H+]1CCO[C@@H](CNC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000104785009 525435212 /nfs/dbraw/zinc/43/52/12/525435212.db2.gz OXWUSHVHWAXAJW-SFHVURJKSA-N 2 2 364.465 1.420 10 0 FDAELP C[N@H+]1CCO[C@@H](CNC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000104785009 525435217 /nfs/dbraw/zinc/43/52/17/525435217.db2.gz OXWUSHVHWAXAJW-SFHVURJKSA-N 2 2 364.465 1.420 10 0 FDAELP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000105279721 525487295 /nfs/dbraw/zinc/48/72/95/525487295.db2.gz FTIIYFXWQGHFPV-KRWDZBQOSA-N 2 2 368.909 1.744 10 0 FDAELP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000105279721 525487297 /nfs/dbraw/zinc/48/72/97/525487297.db2.gz FTIIYFXWQGHFPV-KRWDZBQOSA-N 2 2 368.909 1.744 10 0 FDAELP CCN(CC)C(=O)[C@@H]1CCCN1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000179285280 525552037 /nfs/dbraw/zinc/55/20/37/525552037.db2.gz IZBDOKMTTGDLIY-KRWDZBQOSA-N 2 2 367.538 1.055 10 0 FDAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](CCC(=O)Nc3ccccc3)CC2)C1 ZINC000106120615 525613686 /nfs/dbraw/zinc/61/36/86/525613686.db2.gz HMCRTYRXFJFRIU-FQEVSTJZSA-N 2 2 374.529 1.742 10 0 FDAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](CCC(=O)Nc3ccccc3)CC2)C1 ZINC000106120615 525613692 /nfs/dbraw/zinc/61/36/92/525613692.db2.gz HMCRTYRXFJFRIU-FQEVSTJZSA-N 2 2 374.529 1.742 10 0 FDAELP CC(C)N(C(=O)C[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1)C(C)C ZINC000106123531 525616077 /nfs/dbraw/zinc/61/60/77/525616077.db2.gz VHYMHZBZXPMCEX-LJQANCHMSA-N 2 2 368.566 1.359 10 0 FDAELP CC(C)N(C(=O)C[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1)C(C)C ZINC000106123531 525616088 /nfs/dbraw/zinc/61/60/88/525616088.db2.gz VHYMHZBZXPMCEX-LJQANCHMSA-N 2 2 368.566 1.359 10 0 FDAELP CC(=O)N1CCN(C(=O)C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000180668346 525739577 /nfs/dbraw/zinc/73/95/77/525739577.db2.gz FXDQQUDJXCPAKO-OAHLLOKOSA-N 2 2 355.442 1.214 10 0 FDAELP C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC000155540864 525899141 /nfs/dbraw/zinc/89/91/41/525899141.db2.gz BACYAMYQGXIEMC-SFHVURJKSA-N 2 2 352.523 1.615 10 0 FDAELP C[N@H+]1CCO[C@@H](CNC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC000155540864 525899150 /nfs/dbraw/zinc/89/91/50/525899150.db2.gz BACYAMYQGXIEMC-SFHVURJKSA-N 2 2 352.523 1.615 10 0 FDAELP O=C(CC[N@@H+]1CCC[C@H](n2cncn2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000171701479 526082244 /nfs/dbraw/zinc/08/22/44/526082244.db2.gz SDOHBFQNPLVQCK-KRWDZBQOSA-N 2 2 369.473 1.049 10 0 FDAELP O=C(CC[N@H+]1CCC[C@H](n2cncn2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000171701479 526082260 /nfs/dbraw/zinc/08/22/60/526082260.db2.gz SDOHBFQNPLVQCK-KRWDZBQOSA-N 2 2 369.473 1.049 10 0 FDAELP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NC[C@H]2C[NH+](C)CCO2)C1 ZINC000247081297 537079179 /nfs/dbraw/zinc/07/91/79/537079179.db2.gz VTUSHKSLFHLQHB-SQNIBIBYSA-N 2 2 352.523 1.613 10 0 FDAELP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NC[C@H]2C[NH+](C)CCO2)C1 ZINC000247081297 537079180 /nfs/dbraw/zinc/07/91/80/537079180.db2.gz VTUSHKSLFHLQHB-SQNIBIBYSA-N 2 2 352.523 1.613 10 0 FDAELP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)NC[C@H]2C[N@H+](C)CCO2)C1 ZINC000247081297 537079184 /nfs/dbraw/zinc/07/91/84/537079184.db2.gz VTUSHKSLFHLQHB-SQNIBIBYSA-N 2 2 352.523 1.613 10 0 FDAELP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)NC[C@H]2C[N@@H+](C)CCO2)C1 ZINC000247081297 537079189 /nfs/dbraw/zinc/07/91/89/537079189.db2.gz VTUSHKSLFHLQHB-SQNIBIBYSA-N 2 2 352.523 1.613 10 0 FDAELP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H](C)[NH+]2CCOCC2)C1 ZINC000247508445 537127513 /nfs/dbraw/zinc/12/75/13/537127513.db2.gz OZOVRWWTEOTDJY-DLBZAZTESA-N 2 2 354.539 1.907 10 0 FDAELP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H](C)[NH+]2CCOCC2)C1 ZINC000247508445 537127515 /nfs/dbraw/zinc/12/75/15/537127515.db2.gz OZOVRWWTEOTDJY-DLBZAZTESA-N 2 2 354.539 1.907 10 0 FDAELP Cc1ccc([C@H](CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)[NH+]2CCOCC2)cc1 ZINC000247649843 537143027 /nfs/dbraw/zinc/14/30/27/537143027.db2.gz WKONNBXMYWXPQI-PMACEKPBSA-N 2 2 372.513 1.858 10 0 FDAELP Cc1ccc([C@H](CNC(=O)N2CC[N@H+]3CCC[C@H]3C2)[NH+]2CCOCC2)cc1 ZINC000247649843 537143028 /nfs/dbraw/zinc/14/30/28/537143028.db2.gz WKONNBXMYWXPQI-PMACEKPBSA-N 2 2 372.513 1.858 10 0 FDAELP O=C(CC[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000247971807 537159851 /nfs/dbraw/zinc/15/98/51/537159851.db2.gz HKMPMWGYKIDACI-GHTZIAJQSA-N 2 2 372.513 1.747 10 0 FDAELP O=C(CC[N@H+]1CC[C@]2(O)CCCC[C@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000247971807 537159854 /nfs/dbraw/zinc/15/98/54/537159854.db2.gz HKMPMWGYKIDACI-GHTZIAJQSA-N 2 2 372.513 1.747 10 0 FDAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000248713471 537208431 /nfs/dbraw/zinc/20/84/31/537208431.db2.gz BOTZRGDCQSVQRZ-MISYRCLQSA-N 2 2 372.513 1.623 10 0 FDAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000248713471 537208432 /nfs/dbraw/zinc/20/84/32/537208432.db2.gz BOTZRGDCQSVQRZ-MISYRCLQSA-N 2 2 372.513 1.623 10 0 FDAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](CCCN2CCOCC2)C1 ZINC000195249856 537377633 /nfs/dbraw/zinc/37/76/33/537377633.db2.gz FGNHCOCOUDUYIT-QGZVFWFLSA-N 2 2 352.548 1.928 10 0 FDAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](CCCN2CCOCC2)C1 ZINC000195249856 537377643 /nfs/dbraw/zinc/37/76/43/537377643.db2.gz FGNHCOCOUDUYIT-QGZVFWFLSA-N 2 2 352.548 1.928 10 0 FDAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](CCCN2CCOCC2)C1 ZINC000195249856 537377649 /nfs/dbraw/zinc/37/76/49/537377649.db2.gz FGNHCOCOUDUYIT-QGZVFWFLSA-N 2 2 352.548 1.928 10 0 FDAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](CCCN2CCOCC2)C1 ZINC000195249856 537377654 /nfs/dbraw/zinc/37/76/54/537377654.db2.gz FGNHCOCOUDUYIT-QGZVFWFLSA-N 2 2 352.548 1.928 10 0 FDAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC(=O)NC(=O)NC2CCCC2)C1 ZINC000195288570 537391602 /nfs/dbraw/zinc/39/16/02/537391602.db2.gz NAHOAJHZORKXMW-KRWDZBQOSA-N 2 2 373.501 1.604 10 0 FDAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC(=O)NC(=O)NC2CCCC2)C1 ZINC000195288570 537391609 /nfs/dbraw/zinc/39/16/09/537391609.db2.gz NAHOAJHZORKXMW-KRWDZBQOSA-N 2 2 373.501 1.604 10 0 FDAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CC(=O)NC(=O)NC2CCCC2)C1 ZINC000195288570 537391617 /nfs/dbraw/zinc/39/16/17/537391617.db2.gz NAHOAJHZORKXMW-KRWDZBQOSA-N 2 2 373.501 1.604 10 0 FDAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CC(=O)NC(=O)NC2CCCC2)C1 ZINC000195288570 537391625 /nfs/dbraw/zinc/39/16/25/537391625.db2.gz NAHOAJHZORKXMW-KRWDZBQOSA-N 2 2 373.501 1.604 10 0 FDAELP OCC[N@@H+]1CCC[C@@H]([NH2+]Cc2ccc(I)cc2)C1 ZINC000384431660 537760249 /nfs/dbraw/zinc/76/02/49/537760249.db2.gz FLJGSSNNIDTPBP-CQSZACIVSA-N 2 2 360.239 1.838 10 0 FDAELP OCC[N@H+]1CCC[C@@H]([NH2+]Cc2ccc(I)cc2)C1 ZINC000384431660 537760254 /nfs/dbraw/zinc/76/02/54/537760254.db2.gz FLJGSSNNIDTPBP-CQSZACIVSA-N 2 2 360.239 1.838 10 0 FDAELP COc1ccc2c(CC(=O)N3C[C@@H](c4cn(C)c[nH+]4)[C@H]([NH3+])C3)coc2c1 ZINC000685943407 571103996 /nfs/dbraw/zinc/10/39/96/571103996.db2.gz WDMBTHJCMUIRGM-HZPDHXFCSA-N 2 2 354.410 1.671 10 0 FDAELP CS(=O)(=O)Cc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261885232 672688762 /nfs/dbraw/zinc/68/87/62/672688762.db2.gz FSNCBTZAPVZVRI-KZNAEPCWSA-N 2 2 352.500 1.478 10 0 FDAELP COC(=O)C1(NC(=O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CCCCC1 ZINC000171641840 258267128 /nfs/dbraw/zinc/26/71/28/258267128.db2.gz JVFALOYCOMKRFL-MRXNPFEDSA-N 2 2 374.485 1.808 10 0 FDAELP COC(=O)C1(NC(=O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CCCCC1 ZINC000171641840 258267129 /nfs/dbraw/zinc/26/71/29/258267129.db2.gz JVFALOYCOMKRFL-MRXNPFEDSA-N 2 2 374.485 1.808 10 0 FDAELP C[NH+]1CCN(c2ncnc(N3CC[NH+](Cc4ccccc4)CC3)c2N)CC1 ZINC000040726142 136120053 /nfs/dbraw/zinc/12/00/53/136120053.db2.gz VORYSJHSYOITTE-UHFFFAOYSA-N 2 2 367.501 1.133 10 0 FDAELP C[C@@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000074173918 172074662 /nfs/dbraw/zinc/07/46/62/172074662.db2.gz OKYXSPQEGFMDDH-NVXWUHKLSA-N 2 2 369.469 1.460 10 0 FDAELP C[C@H](CNC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[NH+]1CCOCC1 ZINC000093119875 172311196 /nfs/dbraw/zinc/31/11/96/172311196.db2.gz UDIUSLBNFXUFSW-MRXNPFEDSA-N 2 2 361.490 1.318 10 0 FDAELP C[NH+](C)CCCOc1ccc(CNC(=O)NC[C@H]2C[N@H+](C)CCO2)cc1 ZINC000104796507 172386504 /nfs/dbraw/zinc/38/65/04/172386504.db2.gz ODNSJYUDNAEXQL-SFHVURJKSA-N 2 2 364.490 1.147 10 0 FDAELP C[NH+](C)CCCOc1ccc(CNC(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000104796507 172386505 /nfs/dbraw/zinc/38/65/05/172386505.db2.gz ODNSJYUDNAEXQL-SFHVURJKSA-N 2 2 364.490 1.147 10 0 FDAELP C[N@@H+]1CCO[C@H](CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000105083616 172394426 /nfs/dbraw/zinc/39/44/26/172394426.db2.gz HVJAARNAYDJLNV-CABCVRRESA-N 2 2 352.504 1.515 10 0 FDAELP C[N@H+]1CCO[C@H](CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000105083616 172394427 /nfs/dbraw/zinc/39/44/27/172394427.db2.gz HVJAARNAYDJLNV-CABCVRRESA-N 2 2 352.504 1.515 10 0 FDAELP Cc1[nH+]ccn1CCCCNC(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000175459027 174007461 /nfs/dbraw/zinc/00/74/61/174007461.db2.gz ZOUPQZQOOFTMKW-UHFFFAOYSA-N 2 2 373.505 1.623 10 0 FDAELP Cc1[nH+]ccn1CCCCNC(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000175459027 174007462 /nfs/dbraw/zinc/00/74/62/174007462.db2.gz ZOUPQZQOOFTMKW-UHFFFAOYSA-N 2 2 373.505 1.623 10 0 FDAELP c1cn(-c2ccc(C[NH+]3CCN(c4ccc5nncn5n4)CC3)cn2)c[nH+]1 ZINC000177127801 174107722 /nfs/dbraw/zinc/10/77/22/174107722.db2.gz BBVDTLRIVLLGBR-UHFFFAOYSA-N 2 2 361.413 1.027 10 0 FDAELP C[C@@H](CNC(=O)NC1CC[NH+](C2CCCCC2)CC1)[NH+]1CCOCC1 ZINC000177359241 174123828 /nfs/dbraw/zinc/12/38/28/174123828.db2.gz PGYUYLOIVRPZED-INIZCTEOSA-N 2 2 352.523 1.803 10 0 FDAELP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)C[C@H]1C ZINC000180757493 258374662 /nfs/dbraw/zinc/37/46/62/258374662.db2.gz ZKWKSDLCZRYZLC-HZPDHXFCSA-N 2 2 357.458 1.469 10 0 FDAELP C[C@@H](O)C[N@H+]1CCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)C[C@H]1C ZINC000180757493 258374663 /nfs/dbraw/zinc/37/46/63/258374663.db2.gz ZKWKSDLCZRYZLC-HZPDHXFCSA-N 2 2 357.458 1.469 10 0 FDAELP Cc1ccc([C@@H](CNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)[NH+](C)C)cc1 ZINC000173816969 258311954 /nfs/dbraw/zinc/31/19/54/258311954.db2.gz CGAGWJZXPMNZCY-RBUKOAKNSA-N 2 2 360.502 1.714 10 0 FDAELP CNc1cc(N2CCC[C@@H]2CNC(=O)NCC[NH+]2CCCCC2)[nH+]cn1 ZINC000174000364 258316640 /nfs/dbraw/zinc/31/66/40/258316640.db2.gz NMPHJJOBCBTLIB-OAHLLOKOSA-N 2 2 361.494 1.272 10 0 FDAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)C(=O)Nc2cc(C)no2)nc[nH+]1 ZINC000174287716 258322814 /nfs/dbraw/zinc/32/28/14/258322814.db2.gz VBEBPQHMXYWZOO-CHWSQXEVSA-N 2 2 359.434 1.400 10 0 FDAELP Cc1cc(C(C)C)nc(N2CC[NH+](CCC(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000328696977 259053683 /nfs/dbraw/zinc/05/36/83/259053683.db2.gz ULSDVFHZQAKFHD-UHFFFAOYSA-N 2 2 374.533 1.195 10 0 FDAELP Cc1nnc2ccc(C(=O)N3CC[N@H+](C4CC[NH+](C)CC4)[C@H](C)C3)cn12 ZINC000329124210 259078963 /nfs/dbraw/zinc/07/89/63/259078963.db2.gz XLSIRNFVKYDRDR-CQSZACIVSA-N 2 2 356.474 1.278 10 0 FDAELP Cc1nnc2ccc(C(=O)N3CC[N@@H+](C4CC[NH+](C)CC4)[C@H](C)C3)cn12 ZINC000329124210 259078964 /nfs/dbraw/zinc/07/89/64/259078964.db2.gz XLSIRNFVKYDRDR-CQSZACIVSA-N 2 2 356.474 1.278 10 0 FDAELP [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)[C@H]3COCC[N@@H+]3CC3CCC3)CC2)C1 ZINC000333312420 259334169 /nfs/dbraw/zinc/33/41/69/259334169.db2.gz SBDTXMQEZHYOCU-QRVBRYPASA-N 2 2 365.518 1.232 10 0 FDAELP [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)[C@H]3COCC[N@H+]3CC3CCC3)CC2)C1 ZINC000333312420 259334170 /nfs/dbraw/zinc/33/41/70/259334170.db2.gz SBDTXMQEZHYOCU-QRVBRYPASA-N 2 2 365.518 1.232 10 0 FDAELP Cc1[nH+]c2ccccc2n1C1CC[NH+](C[C@H](O)CN2CCCC2=O)CC1 ZINC000373591840 261023248 /nfs/dbraw/zinc/02/32/48/261023248.db2.gz HIDPJECRCDFDFG-KRWDZBQOSA-N 2 2 356.470 1.965 10 0 FDAELP C[C@H]1C[NH+](CCCNC(=O)C[N@@H+]2CCc3sccc3C2)C[C@H](C)O1 ZINC000042574678 519695618 /nfs/dbraw/zinc/69/56/18/519695618.db2.gz LKDDFUMHRDJQIK-GJZGRUSLSA-N 2 2 351.516 1.722 10 0 FDAELP C[C@H]1C[NH+](CCCNC(=O)C[N@H+]2CCc3sccc3C2)C[C@H](C)O1 ZINC000042574678 519695621 /nfs/dbraw/zinc/69/56/21/519695621.db2.gz LKDDFUMHRDJQIK-GJZGRUSLSA-N 2 2 351.516 1.722 10 0 FDAELP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000052499792 523186084 /nfs/dbraw/zinc/18/60/84/523186084.db2.gz NRTUMOQPZVBKIZ-RBUKOAKNSA-N 2 2 360.502 1.671 10 0 FDAELP CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000052499792 523186090 /nfs/dbraw/zinc/18/60/90/523186090.db2.gz NRTUMOQPZVBKIZ-RBUKOAKNSA-N 2 2 360.502 1.671 10 0 FDAELP CC[NH+]1CCC[C@H](NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000052499792 523186098 /nfs/dbraw/zinc/18/60/98/523186098.db2.gz NRTUMOQPZVBKIZ-RBUKOAKNSA-N 2 2 360.502 1.671 10 0 FDAELP CC[NH+]1CCC[C@H](NC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000052499792 523186103 /nfs/dbraw/zinc/18/61/03/523186103.db2.gz NRTUMOQPZVBKIZ-RBUKOAKNSA-N 2 2 360.502 1.671 10 0 FDAELP CCOCC[N@@H+]1CCN(C(=O)NCC[NH+]2CCOCC2(C)C)C[C@H]1CC ZINC000172133428 524128933 /nfs/dbraw/zinc/12/89/33/524128933.db2.gz VKZAUXNFVQPDDP-QGZVFWFLSA-N 2 2 370.538 1.240 10 0 FDAELP CCOCC[N@H+]1CCN(C(=O)NCC[NH+]2CCOCC2(C)C)C[C@H]1CC ZINC000172133428 524128937 /nfs/dbraw/zinc/12/89/37/524128937.db2.gz VKZAUXNFVQPDDP-QGZVFWFLSA-N 2 2 370.538 1.240 10 0 FDAELP CCOCC[NH+]1CCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)C[C@H]1CC ZINC000172133428 524128939 /nfs/dbraw/zinc/12/89/39/524128939.db2.gz VKZAUXNFVQPDDP-QGZVFWFLSA-N 2 2 370.538 1.240 10 0 FDAELP CCOCC[NH+]1CCN(C(=O)NCC[N@H+]2CCOCC2(C)C)C[C@H]1CC ZINC000172133428 524128944 /nfs/dbraw/zinc/12/89/44/524128944.db2.gz VKZAUXNFVQPDDP-QGZVFWFLSA-N 2 2 370.538 1.240 10 0 FDAELP CC(=O)Nc1ccccc1C[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000121066973 524142071 /nfs/dbraw/zinc/14/20/71/524142071.db2.gz BOLIFVHWBPWTLR-FQEVSTJZSA-N 2 2 374.529 1.872 10 0 FDAELP CC(=O)Nc1ccccc1C[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000121066973 524142084 /nfs/dbraw/zinc/14/20/84/524142084.db2.gz BOLIFVHWBPWTLR-FQEVSTJZSA-N 2 2 374.529 1.872 10 0 FDAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](CC(=O)N3CCCC[C@@H]3C)CC2)C1 ZINC000122706366 524597922 /nfs/dbraw/zinc/59/79/22/524597922.db2.gz KWWFXINVXAMHKP-OALUTQOASA-N 2 2 366.550 1.114 10 0 FDAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](CC(=O)N3CCCC[C@@H]3C)CC2)C1 ZINC000122706366 524597932 /nfs/dbraw/zinc/59/79/32/524597932.db2.gz KWWFXINVXAMHKP-OALUTQOASA-N 2 2 366.550 1.114 10 0 FDAELP Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000122787136 524616785 /nfs/dbraw/zinc/61/67/85/524616785.db2.gz QJNFVYVTAJGRGW-GOSISDBHSA-N 2 2 369.517 1.916 10 0 FDAELP Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000122787136 524616794 /nfs/dbraw/zinc/61/67/94/524616794.db2.gz QJNFVYVTAJGRGW-GOSISDBHSA-N 2 2 369.517 1.916 10 0 FDAELP CC[C@@H]1CN(c2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CC[N@@H+]1CCOC ZINC000174737522 524718448 /nfs/dbraw/zinc/71/84/48/524718448.db2.gz DJWBBTWBFLOQEZ-DLBZAZTESA-N 2 2 363.506 1.232 10 0 FDAELP CC[C@@H]1CN(c2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CC[N@H+]1CCOC ZINC000174737522 524718455 /nfs/dbraw/zinc/71/84/55/524718455.db2.gz DJWBBTWBFLOQEZ-DLBZAZTESA-N 2 2 363.506 1.232 10 0 FDAELP CNC(=O)c1cccc(C[NH+]2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)c1 ZINC000113932485 524727821 /nfs/dbraw/zinc/72/78/21/524727821.db2.gz DGXOENCEBSWAQT-HXUWFJFHSA-N 2 2 374.529 1.273 10 0 FDAELP CNC(=O)c1cccc(C[NH+]2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)c1 ZINC000113932485 524727822 /nfs/dbraw/zinc/72/78/22/524727822.db2.gz DGXOENCEBSWAQT-HXUWFJFHSA-N 2 2 374.529 1.273 10 0 FDAELP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000175035519 524845371 /nfs/dbraw/zinc/84/53/71/524845371.db2.gz PCCJGZXHAFMWAD-ZWKOTPCHSA-N 2 2 359.518 1.717 10 0 FDAELP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000175035519 524845382 /nfs/dbraw/zinc/84/53/82/524845382.db2.gz PCCJGZXHAFMWAD-ZWKOTPCHSA-N 2 2 359.518 1.717 10 0 FDAELP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000116434179 525151859 /nfs/dbraw/zinc/15/18/59/525151859.db2.gz BVHMOWHMBLBNSE-QFBILLFUSA-N 2 2 360.502 1.842 10 0 FDAELP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000116434179 525151871 /nfs/dbraw/zinc/15/18/71/525151871.db2.gz BVHMOWHMBLBNSE-QFBILLFUSA-N 2 2 360.502 1.842 10 0 FDAELP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@H]2C[N@H+](C)CCO2)CC1 ZINC000116434186 525151981 /nfs/dbraw/zinc/15/19/81/525151981.db2.gz BVHMOWHMBLBNSE-APWZRJJASA-N 2 2 360.502 1.842 10 0 FDAELP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000116434186 525151986 /nfs/dbraw/zinc/15/19/86/525151986.db2.gz BVHMOWHMBLBNSE-APWZRJJASA-N 2 2 360.502 1.842 10 0 FDAELP O=C(NCCCn1cc[nH+]c1)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000117021786 525268393 /nfs/dbraw/zinc/26/83/93/525268393.db2.gz QTOYABCTBQLSIS-GOSISDBHSA-N 2 2 357.458 1.334 10 0 FDAELP CC[N@H+](CCNC(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1)C1CC1 ZINC000117043113 525274438 /nfs/dbraw/zinc/27/44/38/525274438.db2.gz KYKBGPZJJJIZPT-IBGZPJMESA-N 2 2 360.502 1.532 10 0 FDAELP CC[N@@H+](CCNC(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1)C1CC1 ZINC000117043113 525274443 /nfs/dbraw/zinc/27/44/43/525274443.db2.gz KYKBGPZJJJIZPT-IBGZPJMESA-N 2 2 360.502 1.532 10 0 FDAELP COCC[N@@H+]1CCN(C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)C[C@@H]1C ZINC000117288514 525306531 /nfs/dbraw/zinc/30/65/31/525306531.db2.gz PUARVTFRRMHSOE-AZUAARDMSA-N 2 2 374.529 1.154 10 0 FDAELP COCC[N@H+]1CCN(C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)C[C@@H]1C ZINC000117288514 525306539 /nfs/dbraw/zinc/30/65/39/525306539.db2.gz PUARVTFRRMHSOE-AZUAARDMSA-N 2 2 374.529 1.154 10 0 FDAELP COCC[N@@H+]1CCN(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)C[C@H]1C ZINC000117476274 525345215 /nfs/dbraw/zinc/34/52/15/525345215.db2.gz ACYUDVNQDMMEHT-MRXNPFEDSA-N 2 2 361.490 1.544 10 0 FDAELP COCC[N@H+]1CCN(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)C[C@H]1C ZINC000117476274 525345227 /nfs/dbraw/zinc/34/52/27/525345227.db2.gz ACYUDVNQDMMEHT-MRXNPFEDSA-N 2 2 361.490 1.544 10 0 FDAELP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H]1C[N@H+](C)CCO1)Cc1ccccc1 ZINC000104793136 525438088 /nfs/dbraw/zinc/43/80/88/525438088.db2.gz IVKPPLOEPWJUJA-RBUKOAKNSA-N 2 2 362.518 1.569 10 0 FDAELP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1)Cc1ccccc1 ZINC000104793136 525438098 /nfs/dbraw/zinc/43/80/98/525438098.db2.gz IVKPPLOEPWJUJA-RBUKOAKNSA-N 2 2 362.518 1.569 10 0 FDAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](CC(=O)N3CCCCCC3)CC2)C1 ZINC000106124029 525616652 /nfs/dbraw/zinc/61/66/52/525616652.db2.gz UNHKQVYQBRSFGV-LJQANCHMSA-N 2 2 366.550 1.116 10 0 FDAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](CC(=O)N3CCCCCC3)CC2)C1 ZINC000106124029 525616662 /nfs/dbraw/zinc/61/66/62/525616662.db2.gz UNHKQVYQBRSFGV-LJQANCHMSA-N 2 2 366.550 1.116 10 0 FDAELP Cc1nc(C[NH+]2CCC(C(=O)NC[C@@H](C)[NH+]3CCOCC3)CC2)cs1 ZINC000170684546 525678162 /nfs/dbraw/zinc/67/81/62/525678162.db2.gz ZCZIITAEMMSDND-CQSZACIVSA-N 2 2 366.531 1.500 10 0 FDAELP CCc1cc(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)nc(C)[nH+]1 ZINC000180435182 525707723 /nfs/dbraw/zinc/70/77/23/525707723.db2.gz AMDOOWSYSDJQAY-GOSISDBHSA-N 2 2 356.470 1.909 10 0 FDAELP CCCCCNC(=O)C[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000155105006 525746570 /nfs/dbraw/zinc/74/65/70/525746570.db2.gz IXBFKYZBTNARDO-SFHVURJKSA-N 2 2 354.539 1.020 10 0 FDAELP CCCCCNC(=O)C[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000155105006 525746577 /nfs/dbraw/zinc/74/65/77/525746577.db2.gz IXBFKYZBTNARDO-SFHVURJKSA-N 2 2 354.539 1.020 10 0 FDAELP Cc1cc(NC(=O)N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)cc[nH+]1 ZINC000119720129 525837664 /nfs/dbraw/zinc/83/76/64/525837664.db2.gz UDATYGQNBWMOJD-SFHVURJKSA-N 2 2 361.490 1.649 10 0 FDAELP Cc1cc(NC(=O)N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)cc[nH+]1 ZINC000119720129 525837669 /nfs/dbraw/zinc/83/76/69/525837669.db2.gz UDATYGQNBWMOJD-SFHVURJKSA-N 2 2 361.490 1.649 10 0 FDAELP O=C(N[C@@H](C[NH+]1CCOCC1)c1ccccc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000171597835 526044881 /nfs/dbraw/zinc/04/48/81/526044881.db2.gz XFEKDXNOFRMXTI-UXHICEINSA-N 2 2 372.513 1.940 10 0 FDAELP O=C(N[C@@H](C[NH+]1CCOCC1)c1ccccc1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000171597835 526044886 /nfs/dbraw/zinc/04/48/86/526044886.db2.gz XFEKDXNOFRMXTI-UXHICEINSA-N 2 2 372.513 1.940 10 0 FDAELP COc1ccc(C[NH+]2CCN(C(=O)C[NH2+][C@@H](C)[C@H]3CCCO3)CC2)cc1 ZINC000183144579 535927263 /nfs/dbraw/zinc/92/72/63/535927263.db2.gz LOPIIBRVKRODQT-QFBILLFUSA-N 2 2 361.486 1.497 10 0 FDAELP C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000246384295 536941216 /nfs/dbraw/zinc/94/12/16/536941216.db2.gz HVJAARNAYDJLNV-LSDHHAIUSA-N 2 2 352.504 1.515 10 0 FDAELP C[N@H+]1CCO[C@@H](CNC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000246384295 536941219 /nfs/dbraw/zinc/94/12/19/536941219.db2.gz HVJAARNAYDJLNV-LSDHHAIUSA-N 2 2 352.504 1.515 10 0 FDAELP COc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CC(F)(F)C[NH2+]3)CC2)cc1 ZINC000263046209 536965936 /nfs/dbraw/zinc/96/59/36/536965936.db2.gz UBLNLALSEGFPBG-INIZCTEOSA-N 2 2 353.413 1.727 10 0 FDAELP COc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CC(F)(F)C[NH2+]3)CC2)cc1 ZINC000263046209 536965941 /nfs/dbraw/zinc/96/59/41/536965941.db2.gz UBLNLALSEGFPBG-INIZCTEOSA-N 2 2 353.413 1.727 10 0 FDAELP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000263131068 536979073 /nfs/dbraw/zinc/97/90/73/536979073.db2.gz BSAVLUSDSZXRNI-SMDDNHRTSA-N 2 2 351.248 1.509 10 0 FDAELP COC(=O)[C@@H](CC(C)C)NC(=O)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000247066865 537077207 /nfs/dbraw/zinc/07/72/07/537077207.db2.gz OHWLMWASXFHBQL-HZPDHXFCSA-N 2 2 350.463 1.360 10 0 FDAELP COC(=O)[C@@H](CC(C)C)NC(=O)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000247066865 537077210 /nfs/dbraw/zinc/07/72/10/537077210.db2.gz OHWLMWASXFHBQL-HZPDHXFCSA-N 2 2 350.463 1.360 10 0 FDAELP COC(=O)c1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1 ZINC000247105429 537082584 /nfs/dbraw/zinc/08/25/84/537082584.db2.gz QSCVAQBVJWKUAQ-ZWKOTPCHSA-N 2 2 373.453 1.882 10 0 FDAELP COC(=O)c1ccc(OC[C@H](O)C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1 ZINC000247105429 537082586 /nfs/dbraw/zinc/08/25/86/537082586.db2.gz QSCVAQBVJWKUAQ-ZWKOTPCHSA-N 2 2 373.453 1.882 10 0 FDAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000247315370 537107200 /nfs/dbraw/zinc/10/72/00/537107200.db2.gz ILCQRHQIXSSHGC-KVPLUYHFSA-N 2 2 374.529 1.773 10 0 FDAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000247315370 537107204 /nfs/dbraw/zinc/10/72/04/537107204.db2.gz ILCQRHQIXSSHGC-KVPLUYHFSA-N 2 2 374.529 1.773 10 0 FDAELP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000247315370 537107206 /nfs/dbraw/zinc/10/72/06/537107206.db2.gz ILCQRHQIXSSHGC-KVPLUYHFSA-N 2 2 374.529 1.773 10 0 FDAELP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000247315370 537107209 /nfs/dbraw/zinc/10/72/09/537107209.db2.gz ILCQRHQIXSSHGC-KVPLUYHFSA-N 2 2 374.529 1.773 10 0 FDAELP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000247315375 537107258 /nfs/dbraw/zinc/10/72/58/537107258.db2.gz ILCQRHQIXSSHGC-LMMKCTJWSA-N 2 2 374.529 1.773 10 0 FDAELP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000247315375 537107261 /nfs/dbraw/zinc/10/72/61/537107261.db2.gz ILCQRHQIXSSHGC-LMMKCTJWSA-N 2 2 374.529 1.773 10 0 FDAELP O=c1[nH]ccnc1N1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000328640307 571325723 /nfs/dbraw/zinc/32/57/23/571325723.db2.gz QAEHYNCEDGLSKU-SFHVURJKSA-N 2 2 368.485 1.800 10 0 FDAELP C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195297542 178254338 /nfs/dbraw/zinc/25/43/38/178254338.db2.gz FPZWTAOZBLBYPY-BHIYHBOVSA-N 2 2 360.502 1.519 10 0 FDAELP C[C@H](C(=O)NC[C@H]1CCCO1)[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195297542 178254339 /nfs/dbraw/zinc/25/43/39/178254339.db2.gz FPZWTAOZBLBYPY-BHIYHBOVSA-N 2 2 360.502 1.519 10 0 FDAELP C[C@H](C(=O)NC[C@H]1CCCO1)[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195297542 178254343 /nfs/dbraw/zinc/25/43/43/178254343.db2.gz FPZWTAOZBLBYPY-BHIYHBOVSA-N 2 2 360.502 1.519 10 0 FDAELP C[C@H](C(=O)NC[C@H]1CCCO1)[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195297542 178254346 /nfs/dbraw/zinc/25/43/46/178254346.db2.gz FPZWTAOZBLBYPY-BHIYHBOVSA-N 2 2 360.502 1.519 10 0 FDAELP C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)[C@H]2[NH2+]CCO[C@@H]2C)C[C@@H](C)O1 ZINC000262286609 178712025 /nfs/dbraw/zinc/71/20/25/178712025.db2.gz OHUMVGDSAPLBHX-NNFUDEMPSA-N 2 2 361.486 1.289 10 0 FDAELP C[NH+]1CCN(c2nc[nH+]c(N3CCN(c4ccc(F)cc4)CC3)c2N)CC1 ZINC000040726427 136120028 /nfs/dbraw/zinc/12/00/28/136120028.db2.gz WPRUQECIHIWSRR-UHFFFAOYSA-N 2 2 371.464 1.276 10 0 FDAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000074535379 172082598 /nfs/dbraw/zinc/08/25/98/172082598.db2.gz LHIUFCZPYMHVLY-MRXNPFEDSA-N 2 2 363.506 1.934 10 0 FDAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000074535379 172082601 /nfs/dbraw/zinc/08/26/01/172082601.db2.gz LHIUFCZPYMHVLY-MRXNPFEDSA-N 2 2 363.506 1.934 10 0 FDAELP C[C@@H](CNC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1)[NH+]1CCOCC1 ZINC000103305035 172364206 /nfs/dbraw/zinc/36/42/06/172364206.db2.gz ZTRQAUDSEOOSJJ-RBUKOAKNSA-N 2 2 366.550 1.861 10 0 FDAELP C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000105083618 172393646 /nfs/dbraw/zinc/39/36/46/172393646.db2.gz HVJAARNAYDJLNV-GJZGRUSLSA-N 2 2 352.504 1.515 10 0 FDAELP C[N@H+]1CCO[C@@H](CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000105083618 172393647 /nfs/dbraw/zinc/39/36/47/172393647.db2.gz HVJAARNAYDJLNV-GJZGRUSLSA-N 2 2 352.504 1.515 10 0 FDAELP CNC(=O)C[NH+]1CCC(CN(C)c2cc(N3CCC[C@H](C)C3)nc[nH+]2)CC1 ZINC000150932812 173385581 /nfs/dbraw/zinc/38/55/81/173385581.db2.gz WFWNPESHYBCSFG-INIZCTEOSA-N 2 2 374.533 1.607 10 0 FDAELP CNC(=O)C[NH+]1CCC(CN(C)c2cc(N3CCC[C@H](C)C3)[nH+]cn2)CC1 ZINC000150932812 173385582 /nfs/dbraw/zinc/38/55/82/173385582.db2.gz WFWNPESHYBCSFG-INIZCTEOSA-N 2 2 374.533 1.607 10 0 FDAELP O=C(CC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)NC(=O)NCC(F)(F)F ZINC000177034631 174102079 /nfs/dbraw/zinc/10/20/79/174102079.db2.gz KWPFVBSTRKCAOQ-LBPRGKRZSA-N 2 2 373.379 1.594 10 0 FDAELP O=C(CC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)NC(=O)NCC(F)(F)F ZINC000177034631 174102081 /nfs/dbraw/zinc/10/20/81/174102081.db2.gz KWPFVBSTRKCAOQ-LBPRGKRZSA-N 2 2 373.379 1.594 10 0 FDAELP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000177349024 174122998 /nfs/dbraw/zinc/12/29/98/174122998.db2.gz FSXNJERKLRAOOL-KRWDZBQOSA-N 2 2 361.490 1.544 10 0 FDAELP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000177349024 174123000 /nfs/dbraw/zinc/12/30/00/174123000.db2.gz FSXNJERKLRAOOL-KRWDZBQOSA-N 2 2 361.490 1.544 10 0 FDAELP C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)C[C@@H]1[NH+]1CCOCC1 ZINC000179464140 258351546 /nfs/dbraw/zinc/35/15/46/258351546.db2.gz WKAWWTLWNZKRDB-RSPOEFSDSA-N 2 2 372.513 1.794 10 0 FDAELP C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)C[C@@H]1[NH+]1CCOCC1 ZINC000179464140 258351547 /nfs/dbraw/zinc/35/15/47/258351547.db2.gz WKAWWTLWNZKRDB-RSPOEFSDSA-N 2 2 372.513 1.794 10 0 FDAELP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)CC(C)C ZINC000173795625 258310950 /nfs/dbraw/zinc/31/09/50/258310950.db2.gz NKKDUEDJSLIPDO-MSOLQXFVSA-N 2 2 354.539 1.859 10 0 FDAELP C[NH+](C)[C@H](CNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)c1cccc(F)c1 ZINC000173785607 258311137 /nfs/dbraw/zinc/31/11/37/258311137.db2.gz TUGAGOZLFYMFCL-ZWKOTPCHSA-N 2 2 364.465 1.545 10 0 FDAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)C(=O)Nc2cc(C)no2)nc[nH+]1 ZINC000174287702 258323097 /nfs/dbraw/zinc/32/30/97/258323097.db2.gz VBEBPQHMXYWZOO-STQMWFEESA-N 2 2 359.434 1.400 10 0 FDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)N[C@H](C)C(=O)N1CCCCC1 ZINC000247024035 258397806 /nfs/dbraw/zinc/39/78/06/258397806.db2.gz MAHNQDDRZKRNLI-NVXWUHKLSA-N 2 2 361.490 1.173 10 0 FDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)N[C@H](C)C(=O)N1CCCCC1 ZINC000247024035 258397807 /nfs/dbraw/zinc/39/78/07/258397807.db2.gz MAHNQDDRZKRNLI-NVXWUHKLSA-N 2 2 361.490 1.173 10 0 FDAELP Cc1[nH]nc2nc(C)cc(C(=O)N3CC[N@@H+](C4CC[NH+](C)CC4)[C@@H](C)C3)c12 ZINC000329089243 259076850 /nfs/dbraw/zinc/07/68/50/259076850.db2.gz IJZSKVOARJPSHR-AWEZNQCLSA-N 2 2 370.501 1.815 10 0 FDAELP [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC000333264831 259327642 /nfs/dbraw/zinc/32/76/42/259327642.db2.gz JJCBRLIBBRUXNI-QRVBRYPASA-N 2 2 365.518 1.232 10 0 FDAELP [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC000333264831 259327643 /nfs/dbraw/zinc/32/76/43/259327643.db2.gz JJCBRLIBBRUXNI-QRVBRYPASA-N 2 2 365.518 1.232 10 0 FDAELP CC[NH+](CC)CC(=O)N1CCN(c2cc(N3CCC[C@H](C)C3)[nH+]cn2)CC1 ZINC000110540903 524101079 /nfs/dbraw/zinc/10/10/79/524101079.db2.gz RRKQQMOBURYICS-KRWDZBQOSA-N 2 2 374.533 1.703 10 0 FDAELP CC[NH+](CC)CC(=O)N1CCN(c2cc(N3CCC[C@H](C)C3)nc[nH+]2)CC1 ZINC000110540903 524101088 /nfs/dbraw/zinc/10/10/88/524101088.db2.gz RRKQQMOBURYICS-KRWDZBQOSA-N 2 2 374.533 1.703 10 0 FDAELP COCC[N@@H+]1CCN(C(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)C[C@H]1C ZINC000172224013 524167188 /nfs/dbraw/zinc/16/71/88/524167188.db2.gz DDFRTOIIKMPAPE-QGZVFWFLSA-N 2 2 360.502 1.786 10 0 FDAELP COCC[N@H+]1CCN(C(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)C[C@H]1C ZINC000172224013 524167191 /nfs/dbraw/zinc/16/71/91/524167191.db2.gz DDFRTOIIKMPAPE-QGZVFWFLSA-N 2 2 360.502 1.786 10 0 FDAELP CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)C1 ZINC000111836868 524353581 /nfs/dbraw/zinc/35/35/81/524353581.db2.gz HRKFBJATEDWMDG-PMACEKPBSA-N 2 2 374.529 1.713 10 0 FDAELP CC[N@H+]1CCC[C@H](NC(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)C1 ZINC000111836868 524353587 /nfs/dbraw/zinc/35/35/87/524353587.db2.gz HRKFBJATEDWMDG-PMACEKPBSA-N 2 2 374.529 1.713 10 0 FDAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](CC(=O)N3CCCC[C@H]3C)CC2)C1 ZINC000122705816 524595932 /nfs/dbraw/zinc/59/59/32/524595932.db2.gz KWWFXINVXAMHKP-RTBURBONSA-N 2 2 366.550 1.114 10 0 FDAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](CC(=O)N3CCCC[C@H]3C)CC2)C1 ZINC000122705816 524595940 /nfs/dbraw/zinc/59/59/40/524595940.db2.gz KWWFXINVXAMHKP-RTBURBONSA-N 2 2 366.550 1.114 10 0 FDAELP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000113270869 524659302 /nfs/dbraw/zinc/65/93/02/524659302.db2.gz FIDBUKGDAQBPAF-DLBZAZTESA-N 2 2 362.543 1.561 10 0 FDAELP C[C@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000113270869 524659308 /nfs/dbraw/zinc/65/93/08/524659308.db2.gz FIDBUKGDAQBPAF-DLBZAZTESA-N 2 2 362.543 1.561 10 0 FDAELP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000113589824 524700414 /nfs/dbraw/zinc/70/04/14/524700414.db2.gz JLRGVGPZTMSOHT-DOTOQJQBSA-N 2 2 359.474 1.296 10 0 FDAELP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000113589824 524700422 /nfs/dbraw/zinc/70/04/22/524700422.db2.gz JLRGVGPZTMSOHT-DOTOQJQBSA-N 2 2 359.474 1.296 10 0 FDAELP COC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(C[NH+]2CCC[C@H]2C(=O)OC)c1 ZINC000114454870 524805732 /nfs/dbraw/zinc/80/57/32/524805732.db2.gz CLBGXLAGPUIPTI-HDICACEKSA-N 2 2 360.454 1.961 10 0 FDAELP COC(=O)[C@H]1CCC[N@H+]1Cc1cccc(C[NH+]2CCC[C@H]2C(=O)OC)c1 ZINC000114454870 524805742 /nfs/dbraw/zinc/80/57/42/524805742.db2.gz CLBGXLAGPUIPTI-HDICACEKSA-N 2 2 360.454 1.961 10 0 FDAELP COC(=O)[C@H]1CCC[NH+]1Cc1cccc(C[N@@H+]2CCC[C@H]2C(=O)OC)c1 ZINC000114454870 524805751 /nfs/dbraw/zinc/80/57/51/524805751.db2.gz CLBGXLAGPUIPTI-HDICACEKSA-N 2 2 360.454 1.961 10 0 FDAELP COC(=O)[C@H]1CCC[NH+]1Cc1cccc(C[N@H+]2CCC[C@H]2C(=O)OC)c1 ZINC000114454870 524805759 /nfs/dbraw/zinc/80/57/59/524805759.db2.gz CLBGXLAGPUIPTI-HDICACEKSA-N 2 2 360.454 1.961 10 0 FDAELP Cc1cc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)nc(C2CC2)[nH+]1 ZINC000116261055 525123825 /nfs/dbraw/zinc/12/38/25/525123825.db2.gz KBQXZWBUFMGYJB-SFHVURJKSA-N 2 2 359.518 1.894 10 0 FDAELP Cc1cc(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)nc(C2CC2)[nH+]1 ZINC000116261055 525123830 /nfs/dbraw/zinc/12/38/30/525123830.db2.gz KBQXZWBUFMGYJB-SFHVURJKSA-N 2 2 359.518 1.894 10 0 FDAELP O=C(NC1CC[NH+](C2CC2)CC1)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000117029032 525270529 /nfs/dbraw/zinc/27/05/29/525270529.db2.gz OGYFHSBYKNVEMC-FQEVSTJZSA-N 2 2 372.513 1.674 10 0 FDAELP CCOCC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)C[C@H]1C ZINC000117522015 525357720 /nfs/dbraw/zinc/35/77/20/525357720.db2.gz WMZHQBAPTQUJDZ-OAHLLOKOSA-N 2 2 374.485 1.140 10 0 FDAELP CCOCC[N@H+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)C[C@H]1C ZINC000117522015 525357732 /nfs/dbraw/zinc/35/77/32/525357732.db2.gz WMZHQBAPTQUJDZ-OAHLLOKOSA-N 2 2 374.485 1.140 10 0 FDAELP CCOCC[NH+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)C[C@H]1C ZINC000117522015 525357738 /nfs/dbraw/zinc/35/77/38/525357738.db2.gz WMZHQBAPTQUJDZ-OAHLLOKOSA-N 2 2 374.485 1.140 10 0 FDAELP CCOCC[NH+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)C[C@H]1C ZINC000117522015 525357746 /nfs/dbraw/zinc/35/77/46/525357746.db2.gz WMZHQBAPTQUJDZ-OAHLLOKOSA-N 2 2 374.485 1.140 10 0 FDAELP C[C@H](CNC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1)[NH+]1CCOCC1 ZINC000163954545 525466102 /nfs/dbraw/zinc/46/61/02/525466102.db2.gz CQKJQHOEYYLBJK-HZPDHXFCSA-N 2 2 366.531 1.857 10 0 FDAELP COc1ccc(C(=O)NC(=O)C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1 ZINC000154543618 525567637 /nfs/dbraw/zinc/56/76/37/525567637.db2.gz YARKNLKZVAHIJH-MRXNPFEDSA-N 2 2 356.426 1.621 10 0 FDAELP COc1ccc(C(=O)NC(=O)C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1 ZINC000154543618 525567643 /nfs/dbraw/zinc/56/76/43/525567643.db2.gz YARKNLKZVAHIJH-MRXNPFEDSA-N 2 2 356.426 1.621 10 0 FDAELP CCCCCNC(=O)[C@@H](C)[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000106121896 525616824 /nfs/dbraw/zinc/61/68/24/525616824.db2.gz CSYXYKJWZJKYIV-RTBURBONSA-N 2 2 368.566 1.408 10 0 FDAELP CCCCCNC(=O)[C@@H](C)[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000106121896 525616833 /nfs/dbraw/zinc/61/68/33/525616833.db2.gz CSYXYKJWZJKYIV-RTBURBONSA-N 2 2 368.566 1.408 10 0 FDAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N(C)CC(=O)NC2CC2)C1 ZINC000106213692 525673720 /nfs/dbraw/zinc/67/37/20/525673720.db2.gz FWSIYEKVMCCABI-HOCLYGCPSA-N 2 2 361.490 1.208 10 0 FDAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)N(C)CC(=O)NC2CC2)C1 ZINC000106213692 525673731 /nfs/dbraw/zinc/67/37/31/525673731.db2.gz FWSIYEKVMCCABI-HOCLYGCPSA-N 2 2 361.490 1.208 10 0 FDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)NCCCN2CCCC2=O)C1 ZINC000106215657 525674951 /nfs/dbraw/zinc/67/49/51/525674951.db2.gz KAPOONZVDWKFDZ-MRXNPFEDSA-N 2 2 361.490 1.211 10 0 FDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)NCCCN2CCCC2=O)C1 ZINC000106215657 525674959 /nfs/dbraw/zinc/67/49/59/525674959.db2.gz KAPOONZVDWKFDZ-MRXNPFEDSA-N 2 2 361.490 1.211 10 0 FDAELP Cc1cnn([C@@H]2CCC[N@H+](CC(=O)NCC(C)(C)[NH+]3CCOCC3)C2)c1 ZINC000106219564 525677671 /nfs/dbraw/zinc/67/76/71/525677671.db2.gz RQLZMMQJMFDMFR-QGZVFWFLSA-N 2 2 363.506 1.055 10 0 FDAELP Cc1cnn([C@@H]2CCC[N@@H+](CC(=O)NCC(C)(C)[NH+]3CCOCC3)C2)c1 ZINC000106219564 525677681 /nfs/dbraw/zinc/67/76/81/525677681.db2.gz RQLZMMQJMFDMFR-QGZVFWFLSA-N 2 2 363.506 1.055 10 0 FDAELP C[N@@H+]1CCO[C@H](CNC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000170923394 525769956 /nfs/dbraw/zinc/76/99/56/525769956.db2.gz YNMYIPNLSDQYRK-LJQANCHMSA-N 2 2 360.502 1.528 10 0 FDAELP C[N@H+]1CCO[C@H](CNC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000170923394 525769965 /nfs/dbraw/zinc/76/99/65/525769965.db2.gz YNMYIPNLSDQYRK-LJQANCHMSA-N 2 2 360.502 1.528 10 0 FDAELP C[N@@H+]1CCO[C@H](CNC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC000155540768 525900724 /nfs/dbraw/zinc/90/07/24/525900724.db2.gz BACYAMYQGXIEMC-GOSISDBHSA-N 2 2 352.523 1.615 10 0 FDAELP C[N@H+]1CCO[C@H](CNC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC000155540768 525900731 /nfs/dbraw/zinc/90/07/31/525900731.db2.gz BACYAMYQGXIEMC-GOSISDBHSA-N 2 2 352.523 1.615 10 0 FDAELP COCC[N@@H+]1CCN(C(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)C[C@@H]1C ZINC000133825833 526096351 /nfs/dbraw/zinc/09/63/51/526096351.db2.gz VGABUHGPGJAOPG-HKUYNNGSSA-N 2 2 361.486 1.067 10 0 FDAELP COCC[N@H+]1CCN(C(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)C[C@@H]1C ZINC000133825833 526096360 /nfs/dbraw/zinc/09/63/60/526096360.db2.gz VGABUHGPGJAOPG-HKUYNNGSSA-N 2 2 361.486 1.067 10 0 FDAELP COCC[NH+]1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C[C@@H]1C ZINC000133825833 526096362 /nfs/dbraw/zinc/09/63/62/526096362.db2.gz VGABUHGPGJAOPG-HKUYNNGSSA-N 2 2 361.486 1.067 10 0 FDAELP COCC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C[C@@H]1C ZINC000133825833 526096366 /nfs/dbraw/zinc/09/63/66/526096366.db2.gz VGABUHGPGJAOPG-HKUYNNGSSA-N 2 2 361.486 1.067 10 0 FDAELP C[C@H](C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000171867249 526158917 /nfs/dbraw/zinc/15/89/17/526158917.db2.gz YOAGSOOCBCWSPY-VQIMIIECSA-N 2 2 360.477 1.643 10 0 FDAELP C[C@H](C(=O)N1CC[N@H+]2CCC[C@@H]2C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000171867249 526158924 /nfs/dbraw/zinc/15/89/24/526158924.db2.gz YOAGSOOCBCWSPY-VQIMIIECSA-N 2 2 360.477 1.643 10 0 FDAELP CN1CC[NH2+]C[C@H]1c1noc([C@H](c2ccccc2)[NH+]2CCSCC2)n1 ZINC000263143980 536982289 /nfs/dbraw/zinc/98/22/89/536982289.db2.gz CNCYJEQVWLSOFC-HOTGVXAUSA-N 2 2 359.499 1.784 10 0 FDAELP CCC(CC)[C@H](C(=O)N1CC[N@H+](C[C@H](C)O)[C@H](CC)C1)[NH+]1CCOCC1 ZINC000246764587 537021521 /nfs/dbraw/zinc/02/15/21/537021521.db2.gz HXGFDTKSPYLPEX-QXAKKESOSA-N 2 2 369.550 1.427 10 0 FDAELP CCC(CC)[C@H](C(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](CC)C1)[NH+]1CCOCC1 ZINC000246764587 537021523 /nfs/dbraw/zinc/02/15/23/537021523.db2.gz HXGFDTKSPYLPEX-QXAKKESOSA-N 2 2 369.550 1.427 10 0 FDAELP CCN(CCC[NH+](C)C)C(=O)NC[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000189811428 537099898 /nfs/dbraw/zinc/09/98/98/537099898.db2.gz UVORQRRTEFJPRM-OAHLLOKOSA-N 2 2 363.510 1.470 10 0 FDAELP CCN(CCC[NH+](C)C)C(=O)NC[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000189811428 537099900 /nfs/dbraw/zinc/09/99/00/537099900.db2.gz UVORQRRTEFJPRM-OAHLLOKOSA-N 2 2 363.510 1.470 10 0 FDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N[C@@H](C(=O)OC)[C@@H](C)CC)C1 ZINC000247870864 537154233 /nfs/dbraw/zinc/15/42/33/537154233.db2.gz XMUBFNACGJTECF-HDMKZQKVSA-N 2 2 364.490 1.786 10 0 FDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N[C@@H](C(=O)OC)[C@@H](C)CC)C1 ZINC000247870864 537154235 /nfs/dbraw/zinc/15/42/35/537154235.db2.gz XMUBFNACGJTECF-HDMKZQKVSA-N 2 2 364.490 1.786 10 0 FDAELP O=C(CC[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000247971810 537160040 /nfs/dbraw/zinc/16/00/40/537160040.db2.gz HKMPMWGYKIDACI-RXVVDRJESA-N 2 2 372.513 1.747 10 0 FDAELP O=C(CC[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000247971810 537160043 /nfs/dbraw/zinc/16/00/43/537160043.db2.gz HKMPMWGYKIDACI-RXVVDRJESA-N 2 2 372.513 1.747 10 0 FDAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@@H](O)COC[C@H]2CCCO2)C1 ZINC000248661739 537202679 /nfs/dbraw/zinc/20/26/79/537202679.db2.gz XKTJWOHZAUUCTR-XUVXKRRUSA-N 2 2 363.502 1.392 10 0 FDAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@@H](O)COC[C@H]2CCCO2)C1 ZINC000248661739 537202681 /nfs/dbraw/zinc/20/26/81/537202681.db2.gz XKTJWOHZAUUCTR-XUVXKRRUSA-N 2 2 363.502 1.392 10 0 FDAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](C[C@@H](O)COC[C@H]2CCCO2)C1 ZINC000248661739 537202683 /nfs/dbraw/zinc/20/26/83/537202683.db2.gz XKTJWOHZAUUCTR-XUVXKRRUSA-N 2 2 363.502 1.392 10 0 FDAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](C[C@@H](O)COC[C@H]2CCCO2)C1 ZINC000248661739 537202686 /nfs/dbraw/zinc/20/26/86/537202686.db2.gz XKTJWOHZAUUCTR-XUVXKRRUSA-N 2 2 363.502 1.392 10 0 FDAELP CC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000249685606 537240301 /nfs/dbraw/zinc/24/03/01/537240301.db2.gz NSNCLZSFWUCBIS-NSISKUIASA-N 2 2 372.513 1.366 10 0 FDAELP CC(=O)N[C@@H]1CCC[N@H+]([C@H](C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000249685606 537240303 /nfs/dbraw/zinc/24/03/03/537240303.db2.gz NSNCLZSFWUCBIS-NSISKUIASA-N 2 2 372.513 1.366 10 0 FDAELP CC(=O)N[C@@H]1CCC[NH+]([C@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000249685606 537240305 /nfs/dbraw/zinc/24/03/05/537240305.db2.gz NSNCLZSFWUCBIS-NSISKUIASA-N 2 2 372.513 1.366 10 0 FDAELP CC(=O)N[C@@H]1CCC[NH+]([C@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000249685606 537240306 /nfs/dbraw/zinc/24/03/06/537240306.db2.gz NSNCLZSFWUCBIS-NSISKUIASA-N 2 2 372.513 1.366 10 0 FDAELP O=S(=O)(CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)c1ccc(Cl)cc1 ZINC000261839793 672681105 /nfs/dbraw/zinc/68/11/05/672681105.db2.gz AHZSQDIOUFNCOJ-ZACQAIPSSA-N 2 2 372.918 1.860 10 0 FDAELP O=S(=O)(CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)Cc1ccccc1 ZINC000262023948 672713911 /nfs/dbraw/zinc/71/39/11/672713911.db2.gz WVDBWAKOBUFERM-KSZLIROESA-N 2 2 352.500 1.348 10 0 FDAELP CC(C)C1CCC([NH+]2CCN(C(=O)[C@H]([NH3+])CCS(C)(=O)=O)CC2)CC1 ZINC000236584708 178275543 /nfs/dbraw/zinc/27/55/43/178275543.db2.gz CMKBYDQFRNWZKU-OFLPRAFFSA-N 2 2 373.563 1.107 10 0 FDAELP C[C@H](O)C[N@@H+]1CCN(Cc2c[nH+]c3ccc(Br)cn23)C[C@H]1C ZINC000245735201 178378901 /nfs/dbraw/zinc/37/89/01/178378901.db2.gz KOSBZGLIPZSPLP-OLZOCXBDSA-N 2 2 367.291 1.984 10 0 FDAELP C[C@H](O)C[N@H+]1CCN(Cc2c[nH+]c3ccc(Br)cn23)C[C@H]1C ZINC000245735201 178378903 /nfs/dbraw/zinc/37/89/03/178378903.db2.gz KOSBZGLIPZSPLP-OLZOCXBDSA-N 2 2 367.291 1.984 10 0 FDAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C(N)=O)c2ccc(F)cc2)nc[nH+]1 ZINC000245910635 178387667 /nfs/dbraw/zinc/38/76/67/178387667.db2.gz JBSWECWMOCNJQE-WMLDXEAASA-N 2 2 358.421 1.442 10 0 FDAELP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000245639087 178372562 /nfs/dbraw/zinc/37/25/62/178372562.db2.gz CYFUSOJQYRCJBV-PKOBYXMFSA-N 2 2 360.502 1.623 10 0 FDAELP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000245639087 178372563 /nfs/dbraw/zinc/37/25/63/178372563.db2.gz CYFUSOJQYRCJBV-PKOBYXMFSA-N 2 2 360.502 1.623 10 0 FDAELP C[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)[C@@H]1c1ccccc1 ZINC000245645599 178373371 /nfs/dbraw/zinc/37/33/71/178373371.db2.gz LLHGZGDFKKFXRB-QYZOEREBSA-N 2 2 358.486 1.548 10 0 FDAELP C[N@H+]1CC[C@H](NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)[C@@H]1c1ccccc1 ZINC000245645599 178373373 /nfs/dbraw/zinc/37/33/73/178373373.db2.gz LLHGZGDFKKFXRB-QYZOEREBSA-N 2 2 358.486 1.548 10 0 FDAELP CSCC[C@H]([NH3+])C(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000246016610 178395737 /nfs/dbraw/zinc/39/57/37/178395737.db2.gz ULHWDXQMGKXGCS-MELADBBJSA-N 2 2 357.545 1.707 10 0 FDAELP CSCC[C@H]([NH3+])C(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000246016610 178395739 /nfs/dbraw/zinc/39/57/39/178395739.db2.gz ULHWDXQMGKXGCS-MELADBBJSA-N 2 2 357.545 1.707 10 0 FDAELP CCc1ccc(C[NH+]2CCN(C(=O)[C@H]([NH3+])C3CCOCC3)CC2)s1 ZINC000262143596 178680937 /nfs/dbraw/zinc/68/09/37/178680937.db2.gz XGVAZMONZGMOPI-QGZVFWFLSA-N 2 2 351.516 1.709 10 0 FDAELP C[N@@H+]1CCO[C@H](CNC(=O)NC[C@@H]2CC[NH+](CCc3ccccc3)C2)C1 ZINC000104796529 172386141 /nfs/dbraw/zinc/38/61/41/172386141.db2.gz PUYBQFDGZGTDJC-RBUKOAKNSA-N 2 2 360.502 1.181 10 0 FDAELP C[N@H+]1CCO[C@H](CNC(=O)NC[C@@H]2CC[NH+](CCc3ccccc3)C2)C1 ZINC000104796529 172386144 /nfs/dbraw/zinc/38/61/44/172386144.db2.gz PUYBQFDGZGTDJC-RBUKOAKNSA-N 2 2 360.502 1.181 10 0 FDAELP C[NH+]1CCO[C@H](CNC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000104796529 172386147 /nfs/dbraw/zinc/38/61/47/172386147.db2.gz PUYBQFDGZGTDJC-RBUKOAKNSA-N 2 2 360.502 1.181 10 0 FDAELP C[NH+]1CCO[C@H](CNC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000104796529 172386149 /nfs/dbraw/zinc/38/61/49/172386149.db2.gz PUYBQFDGZGTDJC-RBUKOAKNSA-N 2 2 360.502 1.181 10 0 FDAELP CC1(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)CC[NH+](Cc2ccccc2)CC1 ZINC000165216578 173815686 /nfs/dbraw/zinc/81/56/86/173815686.db2.gz FISSDBDIELJUEZ-LJQANCHMSA-N 2 2 356.514 1.405 10 0 FDAELP C[C@@H]1CN(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C[C@@H]1[NH+]1CCOCC1 ZINC000175615134 174015660 /nfs/dbraw/zinc/01/56/60/174015660.db2.gz MOOQRPXSSHUFPA-NEWSRXKRSA-N 2 2 360.502 1.651 10 0 FDAELP C[C@H]1CN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)C[C@H]1[NH+]1CCOCC1 ZINC000175679273 174019669 /nfs/dbraw/zinc/01/96/69/174019669.db2.gz VYAOESZPLDNETJ-FUHWJXTLSA-N 2 2 373.501 1.413 10 0 FDAELP CC[C@@H](O)C[NH+]1CCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000181527571 174230533 /nfs/dbraw/zinc/23/05/33/174230533.db2.gz WAVWPGADTGOHKQ-SJORKVTESA-N 2 2 364.490 1.515 10 0 FDAELP C[C@@H](CNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000173770122 258309712 /nfs/dbraw/zinc/30/97/12/258309712.db2.gz DHJHKYHTYSZYRS-PXNSSMCTSA-N 2 2 372.513 1.549 10 0 FDAELP C[C@@H](CNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)[N@H+]1CCc2ccccc2C1 ZINC000173770122 258309713 /nfs/dbraw/zinc/30/97/13/258309713.db2.gz DHJHKYHTYSZYRS-PXNSSMCTSA-N 2 2 372.513 1.549 10 0 FDAELP O=C(NCCC[N@@H+]1CCc2ccccc2C1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173775005 258310399 /nfs/dbraw/zinc/31/03/99/258310399.db2.gz SOIDRMYNPFBFBV-HXUWFJFHSA-N 2 2 372.513 1.551 10 0 FDAELP O=C(NCCC[N@H+]1CCc2ccccc2C1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173775005 258310400 /nfs/dbraw/zinc/31/04/00/258310400.db2.gz SOIDRMYNPFBFBV-HXUWFJFHSA-N 2 2 372.513 1.551 10 0 FDAELP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000173784793 258311041 /nfs/dbraw/zinc/31/10/41/258311041.db2.gz RCWGFQOJZUDAJO-KSZLIROESA-N 2 2 352.523 1.471 10 0 FDAELP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000173784793 258311042 /nfs/dbraw/zinc/31/10/42/258311042.db2.gz RCWGFQOJZUDAJO-KSZLIROESA-N 2 2 352.523 1.471 10 0 FDAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)C(=O)NCc2cccs2)nc[nH+]1 ZINC000174285389 258323085 /nfs/dbraw/zinc/32/30/85/258323085.db2.gz RHVHTDNIEAKHJY-KBPBESRZSA-N 2 2 374.514 1.843 10 0 FDAELP C[C@H]1CCN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)[C@H](C[NH3+])C1 ZINC000333947850 259397052 /nfs/dbraw/zinc/39/70/52/259397052.db2.gz VUTNQDNDJRRDAB-YJBOKZPZSA-N 3 2 351.539 1.314 10 0 FDAELP CCC(CC)[C@@H](CNC(=O)NC[C@@H](C)[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000077746719 523443320 /nfs/dbraw/zinc/44/33/20/523443320.db2.gz HSZZGVUCTKEUQE-SJLPKXTDSA-N 2 2 370.538 1.143 10 0 FDAELP C[N@H+]([C@H]1CCN(CC(F)(F)F)C1=O)C1CC[NH+](CCn2cccn2)CC1 ZINC000111228469 524224266 /nfs/dbraw/zinc/22/42/66/524224266.db2.gz RRUIDSVIFKZMFJ-HNNXBMFYSA-N 2 2 373.423 1.443 10 0 FDAELP C[N@@H+]([C@H]1CCN(CC(F)(F)F)C1=O)C1CC[NH+](CCn2cccn2)CC1 ZINC000111228469 524224272 /nfs/dbraw/zinc/22/42/72/524224272.db2.gz RRUIDSVIFKZMFJ-HNNXBMFYSA-N 2 2 373.423 1.443 10 0 FDAELP C[C@@H](CNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000173859887 524473609 /nfs/dbraw/zinc/47/36/09/524473609.db2.gz BMSLLFZPIQWLDL-HKUYNNGSSA-N 2 2 360.502 1.623 10 0 FDAELP C[C@@H](CNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000173859887 524473618 /nfs/dbraw/zinc/47/36/18/524473618.db2.gz BMSLLFZPIQWLDL-HKUYNNGSSA-N 2 2 360.502 1.623 10 0 FDAELP COc1cc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)ccc1S(C)(=O)=O ZINC000151291636 524550235 /nfs/dbraw/zinc/55/02/35/524550235.db2.gz GRJFMKQVHACNFF-HOCLYGCPSA-N 2 2 370.515 1.596 10 0 FDAELP CC[C@@H]1CN(C(=O)[C@@H](C)[NH+]2CCc3ccccc3C2)CC[N@@H+]1C[C@@H](C)O ZINC000174645573 524671503 /nfs/dbraw/zinc/67/15/03/524671503.db2.gz WOOZJDSCNSRODD-MBOZVWFJSA-N 2 2 359.514 1.737 10 0 FDAELP CC[C@@H]1CN(C(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)CC[NH+]1C[C@@H](C)O ZINC000174645573 524671525 /nfs/dbraw/zinc/67/15/25/524671525.db2.gz WOOZJDSCNSRODD-MBOZVWFJSA-N 2 2 359.514 1.737 10 0 FDAELP CC[C@@H]1CN(C(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)CC[NH+]1C[C@@H](C)O ZINC000174645573 524671534 /nfs/dbraw/zinc/67/15/34/524671534.db2.gz WOOZJDSCNSRODD-MBOZVWFJSA-N 2 2 359.514 1.737 10 0 FDAELP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000113589821 524700806 /nfs/dbraw/zinc/70/08/06/524700806.db2.gz JLRGVGPZTMSOHT-NVXWUHKLSA-N 2 2 359.474 1.296 10 0 FDAELP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000113589821 524700813 /nfs/dbraw/zinc/70/08/13/524700813.db2.gz JLRGVGPZTMSOHT-NVXWUHKLSA-N 2 2 359.474 1.296 10 0 FDAELP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000151910072 524723297 /nfs/dbraw/zinc/72/32/97/524723297.db2.gz HQBDIGXFVNJQFH-MRXNPFEDSA-N 2 2 363.506 1.903 10 0 FDAELP Cc1nc(C[N@H+]2CCCN(C(=O)NC3CC[NH+](C)CC3)CC2)cs1 ZINC000116521514 525168562 /nfs/dbraw/zinc/16/85/62/525168562.db2.gz CSSZMJKLIFWKFJ-UHFFFAOYSA-N 2 2 351.520 1.763 10 0 FDAELP Cc1nc(C[N@@H+]2CCCN(C(=O)NC3CC[NH+](C)CC3)CC2)cs1 ZINC000116521514 525168570 /nfs/dbraw/zinc/16/85/70/525168570.db2.gz CSSZMJKLIFWKFJ-UHFFFAOYSA-N 2 2 351.520 1.763 10 0 FDAELP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000177245099 525259669 /nfs/dbraw/zinc/25/96/69/525259669.db2.gz CJVDVNWNTVWZQJ-RDJZCZTQSA-N 2 2 369.531 1.434 10 0 FDAELP COCC[N@@H+]1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)C[C@H]1C ZINC000117483057 525348300 /nfs/dbraw/zinc/34/83/00/525348300.db2.gz PUCBIXPLVFSWNB-OAHLLOKOSA-N 2 2 372.473 1.438 10 0 FDAELP COCC[N@H+]1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)C[C@H]1C ZINC000117483057 525348303 /nfs/dbraw/zinc/34/83/03/525348303.db2.gz PUCBIXPLVFSWNB-OAHLLOKOSA-N 2 2 372.473 1.438 10 0 FDAELP O=C(NCC1([NH+]2CCOCC2)CCCCC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105077868 525461589 /nfs/dbraw/zinc/46/15/89/525461589.db2.gz LFQZIBYFLWZDFR-GOSISDBHSA-N 2 2 364.534 1.901 10 0 FDAELP O=C(NCC1([NH+]2CCOCC2)CCCCC1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000105077868 525461600 /nfs/dbraw/zinc/46/16/00/525461600.db2.gz LFQZIBYFLWZDFR-GOSISDBHSA-N 2 2 364.534 1.901 10 0 FDAELP [NH3+][C@H]1CC[C@H](C(=O)N2CC[NH+](CCOc3ccccc3Cl)CC2)C1 ZINC000164041302 525472899 /nfs/dbraw/zinc/47/28/99/525472899.db2.gz LIFKNNMNZBFROQ-GJZGRUSLSA-N 2 2 351.878 1.990 10 0 FDAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](CCC(=O)NC3CCCC3)CC2)C1 ZINC000106120398 525611909 /nfs/dbraw/zinc/61/19/09/525611909.db2.gz SKCWLUQPZQOGRQ-IBGZPJMESA-N 2 2 366.550 1.162 10 0 FDAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](CCC(=O)NC3CCCC3)CC2)C1 ZINC000106120398 525611923 /nfs/dbraw/zinc/61/19/23/525611923.db2.gz SKCWLUQPZQOGRQ-IBGZPJMESA-N 2 2 366.550 1.162 10 0 FDAELP CCCCCNC(=O)[C@H](C)[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000106121901 525616738 /nfs/dbraw/zinc/61/67/38/525616738.db2.gz CSYXYKJWZJKYIV-RBUKOAKNSA-N 2 2 368.566 1.408 10 0 FDAELP CCCCCNC(=O)[C@H](C)[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000106121901 525616750 /nfs/dbraw/zinc/61/67/50/525616750.db2.gz CSYXYKJWZJKYIV-RBUKOAKNSA-N 2 2 368.566 1.408 10 0 FDAELP Cc1cccc([C@H](CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)[NH+]2CCOCC2)c1 ZINC000171900825 526175329 /nfs/dbraw/zinc/17/53/29/526175329.db2.gz JZDPYVOGSCKFCH-UXHICEINSA-N 2 2 372.513 1.858 10 0 FDAELP Cc1cccc([C@H](CNC(=O)N2CC[N@H+]3CCC[C@@H]3C2)[NH+]2CCOCC2)c1 ZINC000171900825 526175338 /nfs/dbraw/zinc/17/53/38/526175338.db2.gz JZDPYVOGSCKFCH-UXHICEINSA-N 2 2 372.513 1.858 10 0 FDAELP COC(=O)COc1ccccc1[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000183397778 535973791 /nfs/dbraw/zinc/97/37/91/535973791.db2.gz URLBWOZNWUNQIQ-JKSUJKDBSA-N 2 2 350.459 1.736 10 0 FDAELP CN1CC[NH2+]C[C@@H]1c1noc([C@@H](c2ccccc2)[NH+]2CCSCC2)n1 ZINC000263143982 536982347 /nfs/dbraw/zinc/98/23/47/536982347.db2.gz CNCYJEQVWLSOFC-HZPDHXFCSA-N 2 2 359.499 1.784 10 0 FDAELP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000247072979 537077989 /nfs/dbraw/zinc/07/79/89/537077989.db2.gz HOSGHQHUTBQMNB-LPHOPBHVSA-N 3 2 363.550 1.423 10 0 FDAELP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000247072979 537077990 /nfs/dbraw/zinc/07/79/90/537077990.db2.gz HOSGHQHUTBQMNB-LPHOPBHVSA-N 3 2 363.550 1.423 10 0 FDAELP COCC[N@@H+]1CCN(C(=O)[C@H](C(C)C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000247185526 537091504 /nfs/dbraw/zinc/09/15/04/537091504.db2.gz RZLUWHYJFIMZJW-FJIDUMEYSA-N 2 2 355.523 1.299 10 0 FDAELP COCC[N@H+]1CCN(C(=O)[C@H](C(C)C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000247185526 537091506 /nfs/dbraw/zinc/09/15/06/537091506.db2.gz RZLUWHYJFIMZJW-FJIDUMEYSA-N 2 2 355.523 1.299 10 0 FDAELP COCC[NH+]1CCN(C(=O)[C@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000247185526 537091508 /nfs/dbraw/zinc/09/15/08/537091508.db2.gz RZLUWHYJFIMZJW-FJIDUMEYSA-N 2 2 355.523 1.299 10 0 FDAELP COCC[NH+]1CCN(C(=O)[C@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000247185526 537091511 /nfs/dbraw/zinc/09/15/11/537091511.db2.gz RZLUWHYJFIMZJW-FJIDUMEYSA-N 2 2 355.523 1.299 10 0 FDAELP C[C@@H]([NH2+]CC(=O)N(C)Cc1cnn(C)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189900678 537112809 /nfs/dbraw/zinc/11/28/09/537112809.db2.gz YFEWDRRCKZHKCV-OAHLLOKOSA-N 2 2 352.442 1.915 10 0 FDAELP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000247451853 537119888 /nfs/dbraw/zinc/11/98/88/537119888.db2.gz PDFAZMBATBRUMD-UXHICEINSA-N 2 2 374.529 1.871 10 0 FDAELP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000247451853 537119890 /nfs/dbraw/zinc/11/98/90/537119890.db2.gz PDFAZMBATBRUMD-UXHICEINSA-N 2 2 374.529 1.871 10 0 FDAELP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000247451853 537119893 /nfs/dbraw/zinc/11/98/93/537119893.db2.gz PDFAZMBATBRUMD-UXHICEINSA-N 2 2 374.529 1.871 10 0 FDAELP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000247451853 537119897 /nfs/dbraw/zinc/11/98/97/537119897.db2.gz PDFAZMBATBRUMD-UXHICEINSA-N 2 2 374.529 1.871 10 0 FDAELP C[N@@H+]1CCO[C@@H](CNC(=O)NCC[NH+]2CCc3c(Cl)cccc3C2)C1 ZINC000190515563 537176349 /nfs/dbraw/zinc/17/63/49/537176349.db2.gz OKBZNZIGHXRLSQ-HNNXBMFYSA-N 2 2 366.893 1.328 10 0 FDAELP C[N@H+]1CCO[C@@H](CNC(=O)NCC[NH+]2CCc3c(Cl)cccc3C2)C1 ZINC000190515563 537176351 /nfs/dbraw/zinc/17/63/51/537176351.db2.gz OKBZNZIGHXRLSQ-HNNXBMFYSA-N 2 2 366.893 1.328 10 0 FDAELP C[NH+]1CCO[C@@H](CNC(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000190515563 537176353 /nfs/dbraw/zinc/17/63/53/537176353.db2.gz OKBZNZIGHXRLSQ-HNNXBMFYSA-N 2 2 366.893 1.328 10 0 FDAELP C[NH+]1CCO[C@@H](CNC(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000190515563 537176356 /nfs/dbraw/zinc/17/63/56/537176356.db2.gz OKBZNZIGHXRLSQ-HNNXBMFYSA-N 2 2 366.893 1.328 10 0 FDAELP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000248659906 537202492 /nfs/dbraw/zinc/20/24/92/537202492.db2.gz VNKVWWLZNIOBTL-KBPBESRZSA-N 2 2 367.519 1.439 10 0 FDAELP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000248659906 537202493 /nfs/dbraw/zinc/20/24/93/537202493.db2.gz VNKVWWLZNIOBTL-KBPBESRZSA-N 2 2 367.519 1.439 10 0 FDAELP CCNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000248659906 537202494 /nfs/dbraw/zinc/20/24/94/537202494.db2.gz VNKVWWLZNIOBTL-KBPBESRZSA-N 2 2 367.519 1.439 10 0 FDAELP CCNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000248659906 537202495 /nfs/dbraw/zinc/20/24/95/537202495.db2.gz VNKVWWLZNIOBTL-KBPBESRZSA-N 2 2 367.519 1.439 10 0 FDAELP Cc1[nH+]c2ccccc2n1CCNC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000192801006 537233253 /nfs/dbraw/zinc/23/32/53/537233253.db2.gz IKIMXEWQKMHUJK-MRXNPFEDSA-N 2 2 359.474 1.491 10 0 FDAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCCNC(=O)C(F)(F)F)C1 ZINC000195279047 672401619 /nfs/dbraw/zinc/40/16/19/672401619.db2.gz BYKNUDPLJRFXMN-HNNXBMFYSA-N 2 2 358.408 1.904 10 0 FDAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCCNC(=O)C(F)(F)F)C1 ZINC000195279047 672401621 /nfs/dbraw/zinc/40/16/21/672401621.db2.gz BYKNUDPLJRFXMN-HNNXBMFYSA-N 2 2 358.408 1.904 10 0 FDAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CCCNC(=O)C(F)(F)F)C1 ZINC000195279047 672401623 /nfs/dbraw/zinc/40/16/23/672401623.db2.gz BYKNUDPLJRFXMN-HNNXBMFYSA-N 2 2 358.408 1.904 10 0 FDAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CCCNC(=O)C(F)(F)F)C1 ZINC000195279047 672401625 /nfs/dbraw/zinc/40/16/25/672401625.db2.gz BYKNUDPLJRFXMN-HNNXBMFYSA-N 2 2 358.408 1.904 10 0 FDAELP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000190758114 178020721 /nfs/dbraw/zinc/02/07/21/178020721.db2.gz DIHLACAHDHJPMC-QGZVFWFLSA-N 2 2 355.442 1.574 10 0 FDAELP O=C(Nc1cccc(-n2cc[nH+]c2)c1)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000190748939 178020739 /nfs/dbraw/zinc/02/07/39/178020739.db2.gz CCGHVCRQBYCJOV-QGZVFWFLSA-N 2 2 364.409 1.699 10 0 FDAELP C[N@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)NCCn2cc[nH+]c2)CC1 ZINC000192257039 178105409 /nfs/dbraw/zinc/10/54/09/178105409.db2.gz CZTYEMKGQAXDKY-UHFFFAOYSA-N 2 2 365.478 1.331 10 0 FDAELP C[N@@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)NCCn2cc[nH+]c2)CC1 ZINC000192257039 178105410 /nfs/dbraw/zinc/10/54/10/178105410.db2.gz CZTYEMKGQAXDKY-UHFFFAOYSA-N 2 2 365.478 1.331 10 0 FDAELP CC[C@@H](O)C[NH+]1CCN(C(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)CC1 ZINC000171653709 258267927 /nfs/dbraw/zinc/26/79/27/258267927.db2.gz VDBJITFFXXULQQ-GOSISDBHSA-N 2 2 360.502 1.522 10 0 FDAELP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000172459102 258276769 /nfs/dbraw/zinc/27/67/69/258276769.db2.gz ONLDUKQDFPWTJM-MRXNPFEDSA-N 2 2 363.506 1.903 10 0 FDAELP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000172459102 258276770 /nfs/dbraw/zinc/27/67/70/258276770.db2.gz ONLDUKQDFPWTJM-MRXNPFEDSA-N 2 2 363.506 1.903 10 0 FDAELP Cc1ncsc1CC[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000172535610 258278728 /nfs/dbraw/zinc/27/87/28/258278728.db2.gz BWFSRELWMKLENQ-QGZVFWFLSA-N 2 2 352.548 1.721 10 0 FDAELP Cc1ncsc1CC[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000172535610 258278729 /nfs/dbraw/zinc/27/87/29/258278729.db2.gz BWFSRELWMKLENQ-QGZVFWFLSA-N 2 2 352.548 1.721 10 0 FDAELP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cccc4c3OCC(=O)N4)CC2)CC1 ZINC000104345969 172378515 /nfs/dbraw/zinc/37/85/15/172378515.db2.gz BHPOJDPCYQDJCS-UHFFFAOYSA-N 2 2 372.469 1.306 10 0 FDAELP CC(C)[C@@H](CNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)[NH+]1CCN(C)CC1 ZINC000105105900 172395444 /nfs/dbraw/zinc/39/54/44/172395444.db2.gz RNFUFGGBNKIVMW-QZTJIDSGSA-N 2 2 351.539 1.138 10 0 FDAELP CC(C)[C@@H](CNC(=O)N1CC[N@H+]2CCCC[C@@H]2C1)[NH+]1CCN(C)CC1 ZINC000105105900 172395447 /nfs/dbraw/zinc/39/54/47/172395447.db2.gz RNFUFGGBNKIVMW-QZTJIDSGSA-N 2 2 351.539 1.138 10 0 FDAELP CC(C)[C@@H](CNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)N1CC[NH+](C)CC1 ZINC000105105900 172395449 /nfs/dbraw/zinc/39/54/49/172395449.db2.gz RNFUFGGBNKIVMW-QZTJIDSGSA-N 2 2 351.539 1.138 10 0 FDAELP CC(C)[C@@H](CNC(=O)N1CC[N@H+]2CCCC[C@@H]2C1)N1CC[NH+](C)CC1 ZINC000105105900 172395450 /nfs/dbraw/zinc/39/54/50/172395450.db2.gz RNFUFGGBNKIVMW-QZTJIDSGSA-N 2 2 351.539 1.138 10 0 FDAELP CNC(=O)C[NH+]1CCC(CN(C)c2cc(N3CCC[C@@H](C)C3)nc[nH+]2)CC1 ZINC000150932774 173385502 /nfs/dbraw/zinc/38/55/02/173385502.db2.gz WFWNPESHYBCSFG-MRXNPFEDSA-N 2 2 374.533 1.607 10 0 FDAELP CNC(=O)C[NH+]1CCC(CN(C)c2cc(N3CCC[C@@H](C)C3)[nH+]cn2)CC1 ZINC000150932774 173385503 /nfs/dbraw/zinc/38/55/03/173385503.db2.gz WFWNPESHYBCSFG-MRXNPFEDSA-N 2 2 374.533 1.607 10 0 FDAELP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H]3CCCC[C@@H]3CO)CC2)CC1 ZINC000176020661 174045039 /nfs/dbraw/zinc/04/50/39/174045039.db2.gz NENHDRMICIXFII-CRAIPNDOSA-N 2 2 352.523 1.395 10 0 FDAELP C[C@H]1C[N@@H+]([C@@H](CNC(=O)NCCn2cc[nH+]c2)c2cccs2)CCO1 ZINC000176927948 174095891 /nfs/dbraw/zinc/09/58/91/174095891.db2.gz QUUIXVKBOJVFDS-GJZGRUSLSA-N 2 2 363.487 1.706 10 0 FDAELP C[C@H]1C[N@H+]([C@@H](CNC(=O)NCCn2cc[nH+]c2)c2cccs2)CCO1 ZINC000176927948 174095893 /nfs/dbraw/zinc/09/58/93/174095893.db2.gz QUUIXVKBOJVFDS-GJZGRUSLSA-N 2 2 363.487 1.706 10 0 FDAELP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2 ZINC000177973357 174166635 /nfs/dbraw/zinc/16/66/35/174166635.db2.gz WNEBLNRVAFCSFY-SFHVURJKSA-N 2 2 367.453 1.767 10 0 FDAELP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000177973357 174166636 /nfs/dbraw/zinc/16/66/36/174166636.db2.gz WNEBLNRVAFCSFY-SFHVURJKSA-N 2 2 367.453 1.767 10 0 FDAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)C(=O)NCC(F)(F)F)nc[nH+]1 ZINC000174283883 258322559 /nfs/dbraw/zinc/32/25/59/258322559.db2.gz FKNMOALLDCPDGF-MNOVXSKESA-N 2 2 360.384 1.144 10 0 FDAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)C(=O)Nc2cc(C)no2)nc[nH+]1 ZINC000174287686 258322863 /nfs/dbraw/zinc/32/28/63/258322863.db2.gz VBEBPQHMXYWZOO-OLZOCXBDSA-N 2 2 359.434 1.400 10 0 FDAELP C[N@H+](C[C@@H](O)COCc1ccccc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000178610111 258329890 /nfs/dbraw/zinc/32/98/90/258329890.db2.gz PQONKQXSVMCDLB-OAQYLSRUSA-N 2 2 372.513 1.857 10 0 FDAELP C[N@@H+](C[C@@H](O)COCc1ccccc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000178610111 258329891 /nfs/dbraw/zinc/32/98/91/258329891.db2.gz PQONKQXSVMCDLB-OAQYLSRUSA-N 2 2 372.513 1.857 10 0 FDAELP Cn1nccc1C1CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000179280035 258347483 /nfs/dbraw/zinc/34/74/83/258347483.db2.gz XMWKNXMISLQEHG-UHFFFAOYSA-N 2 2 362.522 1.335 10 0 FDAELP Cc1[nH+]ccn1-c1cncc(NC[C@]2([NH+]3CCOCC3)CCSC2)n1 ZINC000301803246 259034078 /nfs/dbraw/zinc/03/40/78/259034078.db2.gz DCNKAOANFNQDOX-QGZVFWFLSA-N 2 2 360.487 1.591 10 0 FDAELP O=C(C[NH+]1CCCC1)N1CCN(c2nc(C3CC3)[nH+]c3c2CCC3)CC1 ZINC000329119888 259078564 /nfs/dbraw/zinc/07/85/64/259078564.db2.gz JYQFVIQRMPCKOO-UHFFFAOYSA-N 2 2 355.486 1.587 10 0 FDAELP Cc1nnc2ccc(C(=O)N3CC[N@H+](C4CC[NH+](C)CC4)[C@@H](C)C3)cn12 ZINC000329124209 259078756 /nfs/dbraw/zinc/07/87/56/259078756.db2.gz XLSIRNFVKYDRDR-AWEZNQCLSA-N 2 2 356.474 1.278 10 0 FDAELP Cc1nnc2ccc(C(=O)N3CC[N@@H+](C4CC[NH+](C)CC4)[C@@H](C)C3)cn12 ZINC000329124209 259078757 /nfs/dbraw/zinc/07/87/57/259078757.db2.gz XLSIRNFVKYDRDR-AWEZNQCLSA-N 2 2 356.474 1.278 10 0 FDAELP C[C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CCN1C1CC[NH+](C)CC1 ZINC000329434470 259095909 /nfs/dbraw/zinc/09/59/09/259095909.db2.gz LEAZLYLGBMZECJ-MRXNPFEDSA-N 2 2 368.485 1.508 10 0 FDAELP CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)C1 ZINC000333462737 259350724 /nfs/dbraw/zinc/35/07/24/259350724.db2.gz PWKUUGLENYDXQX-ARFHVFGLSA-N 2 2 361.490 1.793 10 0 FDAELP CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC000052527164 523193262 /nfs/dbraw/zinc/19/32/62/523193262.db2.gz IWDXWSUFDAKMFZ-MOPGFXCFSA-N 2 2 360.502 1.843 10 0 FDAELP CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC000052527164 523193270 /nfs/dbraw/zinc/19/32/70/523193270.db2.gz IWDXWSUFDAKMFZ-MOPGFXCFSA-N 2 2 360.502 1.843 10 0 FDAELP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000172244409 524177052 /nfs/dbraw/zinc/17/70/52/524177052.db2.gz ICLZQJZICXTWPK-NVXWUHKLSA-N 2 2 359.474 1.296 10 0 FDAELP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000172244409 524177054 /nfs/dbraw/zinc/17/70/54/524177054.db2.gz ICLZQJZICXTWPK-NVXWUHKLSA-N 2 2 359.474 1.296 10 0 FDAELP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000173313424 524367314 /nfs/dbraw/zinc/36/73/14/524367314.db2.gz NIAWJGKVRXXHPW-SJLPKXTDSA-N 2 2 368.485 1.689 10 0 FDAELP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000173313424 524367317 /nfs/dbraw/zinc/36/73/17/524367317.db2.gz NIAWJGKVRXXHPW-SJLPKXTDSA-N 2 2 368.485 1.689 10 0 FDAELP CCCC(=O)N[C@@H]1CCC[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000158188279 524417807 /nfs/dbraw/zinc/41/78/07/524417807.db2.gz NHLVNBNRNAHZBM-MOPGFXCFSA-N 2 2 374.529 1.786 10 0 FDAELP CCCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000158188279 524417817 /nfs/dbraw/zinc/41/78/17/524417817.db2.gz NHLVNBNRNAHZBM-MOPGFXCFSA-N 2 2 374.529 1.786 10 0 FDAELP CC[N@H+](CCNC(=O)NC[C@@H]1CCCN1c1cc(NC)[nH+]cn1)C1CC1 ZINC000174577271 524635985 /nfs/dbraw/zinc/63/59/85/524635985.db2.gz FPJCSVRXMIDQGT-HNNXBMFYSA-N 2 2 361.494 1.271 10 0 FDAELP CC[N@@H+](CCNC(=O)NC[C@@H]1CCCN1c1cc(NC)[nH+]cn1)C1CC1 ZINC000174577271 524635996 /nfs/dbraw/zinc/63/59/96/524635996.db2.gz FPJCSVRXMIDQGT-HNNXBMFYSA-N 2 2 361.494 1.271 10 0 FDAELP CC[N@H+](CCNC(=O)NC[C@@H]1CCCN1c1cc(NC)nc[nH+]1)C1CC1 ZINC000174577271 524636007 /nfs/dbraw/zinc/63/60/07/524636007.db2.gz FPJCSVRXMIDQGT-HNNXBMFYSA-N 2 2 361.494 1.271 10 0 FDAELP CC[N@@H+](CCNC(=O)NC[C@@H]1CCCN1c1cc(NC)nc[nH+]1)C1CC1 ZINC000174577271 524636011 /nfs/dbraw/zinc/63/60/11/524636011.db2.gz FPJCSVRXMIDQGT-HNNXBMFYSA-N 2 2 361.494 1.271 10 0 FDAELP C[N@H+](CCCO)C1CC[NH+](C[C@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000115548814 525017360 /nfs/dbraw/zinc/01/73/60/525017360.db2.gz KOOWZIDDAUHMAJ-IBGZPJMESA-N 2 2 370.921 1.996 10 0 FDAELP C[N@@H+](CCCO)C1CC[NH+](C[C@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000115548814 525017369 /nfs/dbraw/zinc/01/73/69/525017369.db2.gz KOOWZIDDAUHMAJ-IBGZPJMESA-N 2 2 370.921 1.996 10 0 FDAELP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000115801120 525065559 /nfs/dbraw/zinc/06/55/59/525065559.db2.gz YTVGEVNSMBFZAY-QGZVFWFLSA-N 2 2 374.533 1.348 10 0 FDAELP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000115801120 525065570 /nfs/dbraw/zinc/06/55/70/525065570.db2.gz YTVGEVNSMBFZAY-QGZVFWFLSA-N 2 2 374.533 1.348 10 0 FDAELP COCC[N@@H+]1CCN(C(=O)NCc2cccnc2-n2cc[nH+]c2)C[C@H]1C ZINC000117477121 525344664 /nfs/dbraw/zinc/34/46/64/525344664.db2.gz KIWCGADJMPDICI-OAHLLOKOSA-N 2 2 358.446 1.129 10 0 FDAELP COCC[N@H+]1CCN(C(=O)NCc2cccnc2-n2cc[nH+]c2)C[C@H]1C ZINC000117477121 525344674 /nfs/dbraw/zinc/34/46/74/525344674.db2.gz KIWCGADJMPDICI-OAHLLOKOSA-N 2 2 358.446 1.129 10 0 FDAELP [NH3+][C@@H]1CC[C@@H](C(=O)N2CC[NH+](CCOc3ccccc3Cl)CC2)C1 ZINC000164041380 525471755 /nfs/dbraw/zinc/47/17/55/525471755.db2.gz LIFKNNMNZBFROQ-HUUCEWRRSA-N 2 2 351.878 1.990 10 0 FDAELP C[NH+](C)CCN(Cc1ccccc1F)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000105281267 525485204 /nfs/dbraw/zinc/48/52/04/525485204.db2.gz MPSSMHAUWYYCGU-INIZCTEOSA-N 2 2 352.454 1.230 10 0 FDAELP C[NH+](C)CCN(Cc1ccccc1F)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000105281267 525485216 /nfs/dbraw/zinc/48/52/16/525485216.db2.gz MPSSMHAUWYYCGU-INIZCTEOSA-N 2 2 352.454 1.230 10 0 FDAELP CCN(CC)C(=O)[C@H]1CCCN1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000179285289 525552501 /nfs/dbraw/zinc/55/25/01/525552501.db2.gz IZBDOKMTTGDLIY-QGZVFWFLSA-N 2 2 367.538 1.055 10 0 FDAELP c1cn(-c2ccc(C[NH+]3CCN(c4ccc5nncn5n4)CC3)cc2)c[nH+]1 ZINC000106092657 525574055 /nfs/dbraw/zinc/57/40/55/525574055.db2.gz KJUSODCFHQGGPX-UHFFFAOYSA-N 2 2 360.425 1.632 10 0 FDAELP C[C@H](C(=O)Nc1nccs1)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106129298 525620685 /nfs/dbraw/zinc/62/06/85/525620685.db2.gz GMJSRXGOHCJGOP-CQSZACIVSA-N 2 2 362.503 1.763 10 0 FDAELP C[C@H](C(=O)Nc1nccs1)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106129298 525620694 /nfs/dbraw/zinc/62/06/94/525620694.db2.gz GMJSRXGOHCJGOP-CQSZACIVSA-N 2 2 362.503 1.763 10 0 FDAELP C[C@H](C(=O)N1CCC(C)CC1)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106130704 525624515 /nfs/dbraw/zinc/62/45/15/525624515.db2.gz XDNOHAOHFLEXML-GOSISDBHSA-N 2 2 361.534 1.926 10 0 FDAELP C[C@H](C(=O)N1CCC(C)CC1)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106130704 525624517 /nfs/dbraw/zinc/62/45/17/525624517.db2.gz XDNOHAOHFLEXML-GOSISDBHSA-N 2 2 361.534 1.926 10 0 FDAELP CCc1cc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)nc(C)[nH+]1 ZINC000180435165 525707206 /nfs/dbraw/zinc/70/72/06/525707206.db2.gz AMDOOWSYSDJQAY-SFHVURJKSA-N 2 2 356.470 1.909 10 0 FDAELP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000106458027 525731590 /nfs/dbraw/zinc/73/15/90/525731590.db2.gz LOQUALRVFFKRHZ-IBGZPJMESA-N 2 2 374.529 1.266 10 0 FDAELP CC(C)n1nnnc1C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000130700879 525788268 /nfs/dbraw/zinc/78/82/68/525788268.db2.gz RTZDANHWPNRRIX-UHFFFAOYSA-N 2 2 365.526 1.170 10 0 FDAELP COc1cccc(C[N@@H+]2CCC[C@H](NC(=O)C[NH+]3CCC(O)CC3)C2)c1 ZINC000020775746 525938561 /nfs/dbraw/zinc/93/85/61/525938561.db2.gz PCPNEJNODBLQIU-KRWDZBQOSA-N 2 2 361.486 1.233 10 0 FDAELP COc1cccc(C[N@H+]2CCC[C@H](NC(=O)C[NH+]3CCC(O)CC3)C2)c1 ZINC000020775746 525938566 /nfs/dbraw/zinc/93/85/66/525938566.db2.gz PCPNEJNODBLQIU-KRWDZBQOSA-N 2 2 361.486 1.233 10 0 FDAELP C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156361092 526118666 /nfs/dbraw/zinc/11/86/66/526118666.db2.gz VEBLLJBGSAGBMM-HYVNUMGLSA-N 2 2 360.458 1.939 10 0 FDAELP C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156361092 526118669 /nfs/dbraw/zinc/11/86/69/526118669.db2.gz VEBLLJBGSAGBMM-HYVNUMGLSA-N 2 2 360.458 1.939 10 0 FDAELP COC(=O)COc1ccccc1[C@@H](C)[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000183397761 535973011 /nfs/dbraw/zinc/97/30/11/535973011.db2.gz URLBWOZNWUNQIQ-CVEARBPZSA-N 2 2 350.459 1.736 10 0 FDAELP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000184564015 536164515 /nfs/dbraw/zinc/16/45/15/536164515.db2.gz QOXDGUQITXQRBL-MOPGFXCFSA-N 2 2 362.518 1.773 10 0 FDAELP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000184564015 536164520 /nfs/dbraw/zinc/16/45/20/536164520.db2.gz QOXDGUQITXQRBL-MOPGFXCFSA-N 2 2 362.518 1.773 10 0 FDAELP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000184564015 536164526 /nfs/dbraw/zinc/16/45/26/536164526.db2.gz QOXDGUQITXQRBL-MOPGFXCFSA-N 2 2 362.518 1.773 10 0 FDAELP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000184564015 536164527 /nfs/dbraw/zinc/16/45/27/536164527.db2.gz QOXDGUQITXQRBL-MOPGFXCFSA-N 2 2 362.518 1.773 10 0 FDAELP COC(=O)[C@@]1(C)CCC[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000186315345 536232001 /nfs/dbraw/zinc/23/20/01/536232001.db2.gz SHZFCSBYGWPQMD-OAQYLSRUSA-N 2 2 373.497 1.926 10 0 FDAELP COC(=O)[C@@]1(C)CCC[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000186315345 536232002 /nfs/dbraw/zinc/23/20/02/536232002.db2.gz SHZFCSBYGWPQMD-OAQYLSRUSA-N 2 2 373.497 1.926 10 0 FDAELP C[C@@H](CNC(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)[NH+]1CCOCC1 ZINC000187333628 536262432 /nfs/dbraw/zinc/26/24/32/536262432.db2.gz RAWOOUCEFZFPBM-PXNSSMCTSA-N 2 2 374.529 1.917 10 0 FDAELP C[C@@H](CNC(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)[NH+]1CCOCC1 ZINC000187333628 536262433 /nfs/dbraw/zinc/26/24/33/536262433.db2.gz RAWOOUCEFZFPBM-PXNSSMCTSA-N 2 2 374.529 1.917 10 0 FDAELP C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@H]2CC[NH+](CCc3ccccc3)C2)C1 ZINC000246462364 536959267 /nfs/dbraw/zinc/95/92/67/536959267.db2.gz PUYBQFDGZGTDJC-MOPGFXCFSA-N 2 2 360.502 1.181 10 0 FDAELP C[N@H+]1CCO[C@@H](CNC(=O)NC[C@H]2CC[NH+](CCc3ccccc3)C2)C1 ZINC000246462364 536959268 /nfs/dbraw/zinc/95/92/68/536959268.db2.gz PUYBQFDGZGTDJC-MOPGFXCFSA-N 2 2 360.502 1.181 10 0 FDAELP C[NH+]1CCO[C@@H](CNC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000246462364 536959270 /nfs/dbraw/zinc/95/92/70/536959270.db2.gz PUYBQFDGZGTDJC-MOPGFXCFSA-N 2 2 360.502 1.181 10 0 FDAELP C[NH+]1CCO[C@@H](CNC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000246462364 536959272 /nfs/dbraw/zinc/95/92/72/536959272.db2.gz PUYBQFDGZGTDJC-MOPGFXCFSA-N 2 2 360.502 1.181 10 0 FDAELP CN(CC(C)(C)C[NH+]1CCOCC1)c1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000246481986 536963355 /nfs/dbraw/zinc/96/33/55/536963355.db2.gz AEESYAHOLBBBTC-INIZCTEOSA-N 2 2 363.506 1.232 10 0 FDAELP C[C@@H]1CN(C(=O)NC[C@H](c2cccs2)[NH+](C)C)C[C@@H]1[NH+]1CCOCC1 ZINC000246507473 536969386 /nfs/dbraw/zinc/96/93/86/536969386.db2.gz NNBWYMRAGUKSNK-OAGGEKHMSA-N 2 2 366.531 1.713 10 0 FDAELP Cc1nc(C[NH+]2CCC(c3nc([C@H]4C[NH2+]CCN4C)no3)CC2)cs1 ZINC000263317324 537016706 /nfs/dbraw/zinc/01/67/06/537016706.db2.gz ZRPLWHCJTOYCAF-OAHLLOKOSA-N 2 2 362.503 1.790 10 0 FDAELP CCOCC[N@@H+]1CCN(c2cc(N3CCC[C@H]3CO)[nH+]cn2)C[C@H]1CC ZINC000246967449 537059771 /nfs/dbraw/zinc/05/97/71/537059771.db2.gz KCWBFSVHDGIVLV-SJORKVTESA-N 2 2 363.506 1.375 10 0 FDAELP CCOCC[N@H+]1CCN(c2cc(N3CCC[C@H]3CO)[nH+]cn2)C[C@H]1CC ZINC000246967449 537059774 /nfs/dbraw/zinc/05/97/74/537059774.db2.gz KCWBFSVHDGIVLV-SJORKVTESA-N 2 2 363.506 1.375 10 0 FDAELP CC[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC[N@@H+]1CCOC ZINC000247128819 537085015 /nfs/dbraw/zinc/08/50/15/537085015.db2.gz OJZJPHPOZPBDHF-OKYOBFRVSA-N 2 2 369.550 1.689 10 0 FDAELP CC[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC[N@H+]1CCOC ZINC000247128819 537085017 /nfs/dbraw/zinc/08/50/17/537085017.db2.gz OJZJPHPOZPBDHF-OKYOBFRVSA-N 2 2 369.550 1.689 10 0 FDAELP COCC[N@@H+]1CCN(C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000247230733 537098576 /nfs/dbraw/zinc/09/85/76/537098576.db2.gz WGUJQBATVBBVLW-IKGGRYGDSA-N 2 2 370.538 1.236 10 0 FDAELP COCC[N@H+]1CCN(C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000247230733 537098581 /nfs/dbraw/zinc/09/85/81/537098581.db2.gz WGUJQBATVBBVLW-IKGGRYGDSA-N 2 2 370.538 1.236 10 0 FDAELP CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)C1 ZINC000247319354 537107007 /nfs/dbraw/zinc/10/70/07/537107007.db2.gz HWTDNESAVMTLFJ-IRXDYDNUSA-N 2 2 374.485 1.617 10 0 FDAELP CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)C1 ZINC000247319354 537107009 /nfs/dbraw/zinc/10/70/09/537107009.db2.gz HWTDNESAVMTLFJ-IRXDYDNUSA-N 2 2 374.485 1.617 10 0 FDAELP CC[C@H]1CN(c2cc(N3CCCC[C@H]3CO)[nH+]cn2)CC[N@@H+]1CCOC ZINC000248492885 537188017 /nfs/dbraw/zinc/18/80/17/537188017.db2.gz OVLGHJAVMRBOCI-IRXDYDNUSA-N 2 2 363.506 1.375 10 0 FDAELP CC[C@H]1CN(c2cc(N3CCCC[C@H]3CO)[nH+]cn2)CC[N@H+]1CCOC ZINC000248492885 537188019 /nfs/dbraw/zinc/18/80/19/537188019.db2.gz OVLGHJAVMRBOCI-IRXDYDNUSA-N 2 2 363.506 1.375 10 0 FDAELP C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C[C@@H]1C ZINC000248568212 537192499 /nfs/dbraw/zinc/19/24/99/537192499.db2.gz CCTJCCMTRWVZSH-IRXDYDNUSA-N 2 2 371.485 1.528 10 0 FDAELP C[C@H](O)C[N@H+]1CCN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C[C@@H]1C ZINC000248568212 537192501 /nfs/dbraw/zinc/19/25/01/537192501.db2.gz CCTJCCMTRWVZSH-IRXDYDNUSA-N 2 2 371.485 1.528 10 0 FDAELP C[C@H]1C[NH+]=C(N2CCN(C(=O)c3ccn([C@@H]4CCC[NH2+]C4)n3)CC2)S1 ZINC000262785276 537254827 /nfs/dbraw/zinc/25/48/27/537254827.db2.gz NSZSELRUKWTVEF-UONOGXRCSA-N 2 2 362.503 1.057 10 0 FDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1sccc1C(N)=O ZINC000154563351 671925115 /nfs/dbraw/zinc/92/51/15/671925115.db2.gz CMZOHUPZJVYMTO-AAEUAGOBSA-N 2 2 361.471 1.844 10 0 FDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1sccc1C(N)=O ZINC000154563351 671925118 /nfs/dbraw/zinc/92/51/18/671925118.db2.gz CMZOHUPZJVYMTO-AAEUAGOBSA-N 2 2 361.471 1.844 10 0 FDAELP COc1nc(N2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)ncc1Br ZINC000261755332 672665469 /nfs/dbraw/zinc/66/54/69/672665469.db2.gz CLEGJVIVMFYXCO-LBPRGKRZSA-N 2 2 370.295 1.369 10 0 FDAELP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000193525688 178167356 /nfs/dbraw/zinc/16/73/56/178167356.db2.gz PFGJCZBILPYFIT-PBHICJAKSA-N 2 2 355.442 1.782 10 0 FDAELP O=C(C1CC[NH+](C2CC2)CC1)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000194579786 178216657 /nfs/dbraw/zinc/21/66/57/178216657.db2.gz LUTBAIKGIIEEIM-HXUWFJFHSA-N 2 2 357.498 1.739 10 0 FDAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](CC(=O)NCc2cccnc2)C1 ZINC000195265621 178251321 /nfs/dbraw/zinc/25/13/21/178251321.db2.gz OZWAVNWKYVXTQK-QGZVFWFLSA-N 2 2 373.526 1.917 10 0 FDAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](CC(=O)NCc2cccnc2)C1 ZINC000195265621 178251322 /nfs/dbraw/zinc/25/13/22/178251322.db2.gz OZWAVNWKYVXTQK-QGZVFWFLSA-N 2 2 373.526 1.917 10 0 FDAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](CC(=O)NCc2cccnc2)C1 ZINC000195265621 178251325 /nfs/dbraw/zinc/25/13/25/178251325.db2.gz OZWAVNWKYVXTQK-QGZVFWFLSA-N 2 2 373.526 1.917 10 0 FDAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NCc2cccnc2)C1 ZINC000195265621 178251326 /nfs/dbraw/zinc/25/13/26/178251326.db2.gz OZWAVNWKYVXTQK-QGZVFWFLSA-N 2 2 373.526 1.917 10 0 FDAELP CC[C@H](C)[C@@H](NC(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)C(=O)OC ZINC000246068910 178397980 /nfs/dbraw/zinc/39/79/80/178397980.db2.gz BLJNPCQJTYZRNT-RLFYNMQTSA-N 2 2 362.474 1.519 10 0 FDAELP CC[C@H](C)[C@@H](NC(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)C(=O)OC ZINC000246068910 178397982 /nfs/dbraw/zinc/39/79/82/178397982.db2.gz BLJNPCQJTYZRNT-RLFYNMQTSA-N 2 2 362.474 1.519 10 0 FDAELP COc1cccc(C[NH2+]Cc2cc(C)n[nH]2)c1OCC[NH+]1CCOCC1 ZINC000055359305 205216561 /nfs/dbraw/zinc/21/65/61/205216561.db2.gz IVDNPLHIVXBSEM-UHFFFAOYSA-N 2 2 360.458 1.728 10 0 FDAELP C[N@H+](Cc1nccs1)[C@H]1CC12CCN(C(=O)[C@H]1C[NH+](C)CCO1)CC2 ZINC000548024662 542530708 /nfs/dbraw/zinc/53/07/08/542530708.db2.gz JOLOHAKHRISFJZ-CABCVRRESA-N 2 2 364.515 1.287 10 0 FDAELP C[N@@H+](Cc1nccs1)[C@H]1CC12CCN(C(=O)[C@H]1C[NH+](C)CCO1)CC2 ZINC000548024662 542530711 /nfs/dbraw/zinc/53/07/11/542530711.db2.gz JOLOHAKHRISFJZ-CABCVRRESA-N 2 2 364.515 1.287 10 0 FDAELP C[NH+](Cc1nccs1)[C@H]1CC12CCN(C(=O)[C@H]1C[N@H+](C)CCO1)CC2 ZINC000548024662 542530715 /nfs/dbraw/zinc/53/07/15/542530715.db2.gz JOLOHAKHRISFJZ-CABCVRRESA-N 2 2 364.515 1.287 10 0 FDAELP C[NH+](Cc1nccs1)[C@H]1CC12CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)CC2 ZINC000548024662 542530719 /nfs/dbraw/zinc/53/07/19/542530719.db2.gz JOLOHAKHRISFJZ-CABCVRRESA-N 2 2 364.515 1.287 10 0 FDAELP CCCC[C@@H](C(=O)OC)[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000173335157 258296193 /nfs/dbraw/zinc/29/61/93/258296193.db2.gz GIKMKEDXEKBHCG-MSOLQXFVSA-N 2 2 355.523 1.445 10 0 FDAELP CCCC[C@@H](C(=O)OC)[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000173335157 258296194 /nfs/dbraw/zinc/29/61/94/258296194.db2.gz GIKMKEDXEKBHCG-MSOLQXFVSA-N 2 2 355.523 1.445 10 0 FDAELP C[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000093204629 172314511 /nfs/dbraw/zinc/31/45/11/172314511.db2.gz VHNQEIJOWQTRSN-HZPDHXFCSA-N 2 2 371.403 1.587 10 0 FDAELP C[NH+]1CCN(C(=O)C[N@H+]2C[C@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000093204629 172314512 /nfs/dbraw/zinc/31/45/12/172314512.db2.gz VHNQEIJOWQTRSN-HZPDHXFCSA-N 2 2 371.403 1.587 10 0 FDAELP Cc1ccc([C@H](CNC(=O)NC[C@@H](C)[NH+]2CCOCC2)[NH+]2CCCC2)o1 ZINC000102038236 172345234 /nfs/dbraw/zinc/34/52/34/172345234.db2.gz AZTNZMMQQUSAGZ-WBVHZDCISA-N 2 2 364.490 1.745 10 0 FDAELP Cc1ccccc1C[NH+]1CCC(NC(=O)NC[C@H]2C[N@H+](C)CCO2)CC1 ZINC000104787281 172386255 /nfs/dbraw/zinc/38/62/55/172386255.db2.gz XRMOOMZUQVEDKT-IBGZPJMESA-N 2 2 360.502 1.589 10 0 FDAELP Cc1ccccc1C[NH+]1CCC(NC(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000104787281 172386257 /nfs/dbraw/zinc/38/62/57/172386257.db2.gz XRMOOMZUQVEDKT-IBGZPJMESA-N 2 2 360.502 1.589 10 0 FDAELP Cc1ccc([C@H](CNC(=O)NC[C@H]2C[N@H+](C)CCO2)[NH+]2CCCC2)o1 ZINC000104794964 172387279 /nfs/dbraw/zinc/38/72/79/172387279.db2.gz OSYPOCGJLPVVSQ-HOTGVXAUSA-N 2 2 350.463 1.355 10 0 FDAELP Cc1ccc([C@H](CNC(=O)NC[C@H]2C[N@@H+](C)CCO2)[NH+]2CCCC2)o1 ZINC000104794964 172387280 /nfs/dbraw/zinc/38/72/80/172387280.db2.gz OSYPOCGJLPVVSQ-HOTGVXAUSA-N 2 2 350.463 1.355 10 0 FDAELP Cc1ccc([C@H](CNC(=O)NC[C@@H]2C[N@H+](C)CCO2)[NH+]2CCCC2)cc1 ZINC000105207719 172399703 /nfs/dbraw/zinc/39/97/03/172399703.db2.gz FHRBDRVOTCFUMW-MOPGFXCFSA-N 2 2 360.502 1.762 10 0 FDAELP Cc1ccc([C@H](CNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)[NH+]2CCCC2)cc1 ZINC000105207719 172399707 /nfs/dbraw/zinc/39/97/07/172399707.db2.gz FHRBDRVOTCFUMW-MOPGFXCFSA-N 2 2 360.502 1.762 10 0 FDAELP CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000176944275 174096853 /nfs/dbraw/zinc/09/68/53/174096853.db2.gz JTAZBONZTWKXGD-AWEZNQCLSA-N 2 2 357.458 1.872 10 0 FDAELP CC[C@H](C)[C@H](NC(=O)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C)C(=O)OC ZINC000178300995 174181641 /nfs/dbraw/zinc/18/16/41/174181641.db2.gz LNVKKUYFCRMVKQ-LXZKKBNFSA-N 2 2 350.463 1.360 10 0 FDAELP CC[C@H](C)[C@H](NC(=O)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C)C(=O)OC ZINC000178300995 174181643 /nfs/dbraw/zinc/18/16/43/174181643.db2.gz LNVKKUYFCRMVKQ-LXZKKBNFSA-N 2 2 350.463 1.360 10 0 FDAELP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CC1 ZINC000173505957 258300904 /nfs/dbraw/zinc/30/09/04/258300904.db2.gz UDGQMLMTNMPXHH-QZTJIDSGSA-N 2 2 351.539 1.140 10 0 FDAELP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)CC1 ZINC000173505957 258300905 /nfs/dbraw/zinc/30/09/05/258300905.db2.gz UDGQMLMTNMPXHH-QZTJIDSGSA-N 2 2 351.539 1.140 10 0 FDAELP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CC1 ZINC000173505957 258300906 /nfs/dbraw/zinc/30/09/06/258300906.db2.gz UDGQMLMTNMPXHH-QZTJIDSGSA-N 2 2 351.539 1.140 10 0 FDAELP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)CC1 ZINC000173505957 258300907 /nfs/dbraw/zinc/30/09/07/258300907.db2.gz UDGQMLMTNMPXHH-QZTJIDSGSA-N 2 2 351.539 1.140 10 0 FDAELP CC(=O)N1CCC(NC(=O)C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000180671336 258372948 /nfs/dbraw/zinc/37/29/48/258372948.db2.gz ZVQRMRKWMPLUKK-HNNXBMFYSA-N 2 2 369.469 1.650 10 0 FDAELP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)CC(C)C ZINC000173795635 258310908 /nfs/dbraw/zinc/31/09/08/258310908.db2.gz NKKDUEDJSLIPDO-QZTJIDSGSA-N 2 2 354.539 1.859 10 0 FDAELP C[C@@H]1CCC[C@](CNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)([NH+](C)C)C1 ZINC000173899345 258314369 /nfs/dbraw/zinc/31/43/69/258314369.db2.gz HFWQUEWAOMNSHX-AOIWGVFYSA-N 2 2 352.523 1.613 10 0 FDAELP C[C@@H]1C[N@@H+]([C@@H](CNC(=O)NC[C@@H]2CCC[NH+]2C)c2cccs2)CCO1 ZINC000178606394 258330031 /nfs/dbraw/zinc/33/00/31/258330031.db2.gz ZRLRHTLAGTZNDH-PMPSAXMXSA-N 2 2 366.531 1.903 10 0 FDAELP C[C@@H]1C[N@H+]([C@@H](CNC(=O)NC[C@@H]2CCC[NH+]2C)c2cccs2)CCO1 ZINC000178606394 258330032 /nfs/dbraw/zinc/33/00/32/258330032.db2.gz ZRLRHTLAGTZNDH-PMPSAXMXSA-N 2 2 366.531 1.903 10 0 FDAELP C[C@@H]1C[NH+]([C@@H](CNC(=O)NC[C@@H]2CCC[N@H+]2C)c2cccs2)CCO1 ZINC000178606394 258330034 /nfs/dbraw/zinc/33/00/34/258330034.db2.gz ZRLRHTLAGTZNDH-PMPSAXMXSA-N 2 2 366.531 1.903 10 0 FDAELP C[N@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)NCCCn2cc[nH+]c2)C1 ZINC000190677993 258390532 /nfs/dbraw/zinc/39/05/32/258390532.db2.gz JUFYDLVAQYTJAU-SFHVURJKSA-N 2 2 356.474 1.832 10 0 FDAELP COC(=O)Cn1ncc2c1nc[nH+]c2N1CCC([N@@H+]2CCC[C@H]2C)CC1 ZINC000301789281 259033454 /nfs/dbraw/zinc/03/34/54/259033454.db2.gz QBJDSCFAXFEEJL-CYBMUJFWSA-N 2 2 358.446 1.452 10 0 FDAELP COC(=O)Cn1ncc2c1nc[nH+]c2N1CCC([N@H+]2CCC[C@H]2C)CC1 ZINC000301789281 259033455 /nfs/dbraw/zinc/03/34/55/259033455.db2.gz QBJDSCFAXFEEJL-CYBMUJFWSA-N 2 2 358.446 1.452 10 0 FDAELP Cc1[nH+]c2ccccc2n1CCCNC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000043471774 521861497 /nfs/dbraw/zinc/86/14/97/521861497.db2.gz PYXPFRMJRYHRIK-QGZVFWFLSA-N 2 2 373.501 1.881 10 0 FDAELP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3nnc(C4CC4)n3C)CC2)CC1 ZINC000066568309 523113075 /nfs/dbraw/zinc/11/30/75/523113075.db2.gz PODSYGYPYAHJTO-UHFFFAOYSA-N 2 2 374.533 1.459 10 0 FDAELP C[C@@H](CNC(=O)N1CC[NH+](CC2CCCCC2)CC1)[NH+]1CCOCC1 ZINC000067698508 523547087 /nfs/dbraw/zinc/54/70/87/523547087.db2.gz NNIMWWCEDLLKQX-KRWDZBQOSA-N 2 2 352.523 1.615 10 0 FDAELP C[C@@H](CNC(=O)NCc1cccc(OCC[NH+](C)C)c1)[NH+]1CCOCC1 ZINC000079180935 523718384 /nfs/dbraw/zinc/71/83/84/523718384.db2.gz UIBYFTDKNXZJLD-INIZCTEOSA-N 2 2 364.490 1.147 10 0 FDAELP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CC1 ZINC000114456147 524805501 /nfs/dbraw/zinc/80/55/01/524805501.db2.gz YRJLVYRFRDOWKK-QGZVFWFLSA-N 3 2 359.518 1.804 10 0 FDAELP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CC1 ZINC000114456147 524805509 /nfs/dbraw/zinc/80/55/09/524805509.db2.gz YRJLVYRFRDOWKK-QGZVFWFLSA-N 3 2 359.518 1.804 10 0 FDAELP CC[C@H]1CN(C(=O)NCc2[nH+]ccn2CC(C)C)CC[N@@H+]1CCOC ZINC000175471975 524969433 /nfs/dbraw/zinc/96/94/33/524969433.db2.gz QEKQIUXHNPNYOY-INIZCTEOSA-N 2 2 351.495 1.791 10 0 FDAELP CC[C@H]1CN(C(=O)NCc2[nH+]ccn2CC(C)C)CC[N@H+]1CCOC ZINC000175471975 524969439 /nfs/dbraw/zinc/96/94/39/524969439.db2.gz QEKQIUXHNPNYOY-INIZCTEOSA-N 2 2 351.495 1.791 10 0 FDAELP C[C@@H](CNC(=O)NCc1ccc(F)c(C[NH+](C)C)c1)[NH+]1CCOCC1 ZINC000115796698 525062294 /nfs/dbraw/zinc/06/22/94/525062294.db2.gz JMRYBYKHTMYYLP-AWEZNQCLSA-N 2 2 352.454 1.407 10 0 FDAELP CCN(CC)c1ccc(CNC(=O)N2CC[N@H+](CCOC)[C@@H](C)C2)c[nH+]1 ZINC000117476306 525345168 /nfs/dbraw/zinc/34/51/68/525345168.db2.gz MOMQJPASYZPPDN-INIZCTEOSA-N 2 2 363.506 1.790 10 0 FDAELP CCN(CC)c1ccc(CNC(=O)N2CC[N@@H+](CCOC)[C@@H](C)C2)c[nH+]1 ZINC000117476306 525345176 /nfs/dbraw/zinc/34/51/76/525345176.db2.gz MOMQJPASYZPPDN-INIZCTEOSA-N 2 2 363.506 1.790 10 0 FDAELP [NH3+][C@@H]1CC[C@H](C(=O)N2CC[NH+](CCOc3ccccc3Cl)CC2)C1 ZINC000164041483 525471971 /nfs/dbraw/zinc/47/19/71/525471971.db2.gz LIFKNNMNZBFROQ-LSDHHAIUSA-N 2 2 351.878 1.990 10 0 FDAELP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000105279747 525487393 /nfs/dbraw/zinc/48/73/93/525487393.db2.gz DPXIAHNOHCTNEY-MRXNPFEDSA-N 2 2 370.444 1.369 10 0 FDAELP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000105279747 525487401 /nfs/dbraw/zinc/48/74/01/525487401.db2.gz DPXIAHNOHCTNEY-MRXNPFEDSA-N 2 2 370.444 1.369 10 0 FDAELP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000106430233 525723561 /nfs/dbraw/zinc/72/35/61/525723561.db2.gz WOSVFISYDIPDPY-LJQANCHMSA-N 2 2 368.481 1.707 10 0 FDAELP C[NH+](C)[C@@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)C1 ZINC000170844731 525734787 /nfs/dbraw/zinc/73/47/87/525734787.db2.gz HPGMKDWYTSSMAC-OAHLLOKOSA-N 2 2 369.469 1.864 10 0 FDAELP CC[C@H](O)C[NH+]1CCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC000184953515 536193672 /nfs/dbraw/zinc/19/36/72/536193672.db2.gz DKQBHDNKIVFUOP-KRWDZBQOSA-N 2 2 357.458 1.470 10 0 FDAELP CC[C@H]1CN(C(=O)NC[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000185623291 536213959 /nfs/dbraw/zinc/21/39/59/536213959.db2.gz ORBZFJUEJTZGPC-RBUKOAKNSA-N 2 2 360.502 1.623 10 0 FDAELP CC[C@H]1CN(C(=O)NC[C@@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1ccccc1 ZINC000185623291 536213960 /nfs/dbraw/zinc/21/39/60/536213960.db2.gz ORBZFJUEJTZGPC-RBUKOAKNSA-N 2 2 360.502 1.623 10 0 FDAELP CC[C@H]1CN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1ccccc1 ZINC000185623291 536213961 /nfs/dbraw/zinc/21/39/61/536213961.db2.gz ORBZFJUEJTZGPC-RBUKOAKNSA-N 2 2 360.502 1.623 10 0 FDAELP CC[C@H]1CN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1ccccc1 ZINC000185623291 536213962 /nfs/dbraw/zinc/21/39/62/536213962.db2.gz ORBZFJUEJTZGPC-RBUKOAKNSA-N 2 2 360.502 1.623 10 0 FDAELP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2CC[NH+]3CCCC[C@H]3C2)C[C@H](C)O1 ZINC000246347930 536933387 /nfs/dbraw/zinc/93/33/87/536933387.db2.gz CTHARXRVGJFQEK-BBWFWOEESA-N 2 2 352.523 1.754 10 0 FDAELP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)C[C@H](C)O1 ZINC000246347930 536933396 /nfs/dbraw/zinc/93/33/96/536933396.db2.gz CTHARXRVGJFQEK-BBWFWOEESA-N 2 2 352.523 1.754 10 0 FDAELP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CC[N@H+]3CCCC[C@H]3C2)C[C@H](C)O1 ZINC000246347930 536933403 /nfs/dbraw/zinc/93/34/03/536933403.db2.gz CTHARXRVGJFQEK-BBWFWOEESA-N 2 2 352.523 1.754 10 0 FDAELP COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000246381548 536941315 /nfs/dbraw/zinc/94/13/15/536941315.db2.gz NOADQEUMUQUWLE-JQHSSLGASA-N 2 2 365.518 1.782 10 0 FDAELP COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000246381548 536941318 /nfs/dbraw/zinc/94/13/18/536941318.db2.gz NOADQEUMUQUWLE-JQHSSLGASA-N 2 2 365.518 1.782 10 0 FDAELP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1C[N@H+](C)CCO1)c1ccccc1Cl ZINC000246454413 536956901 /nfs/dbraw/zinc/95/69/01/536956901.db2.gz PBYPBRSDLUYGJO-CZUORRHYSA-N 2 2 354.882 1.573 10 0 FDAELP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1)c1ccccc1Cl ZINC000246454413 536956902 /nfs/dbraw/zinc/95/69/02/536956902.db2.gz PBYPBRSDLUYGJO-CZUORRHYSA-N 2 2 354.882 1.573 10 0 FDAELP Cc1nc(C[NH+]2CCC(c3nc([C@@H]4C[NH2+]CCN4C)no3)CC2)cs1 ZINC000263317321 537016571 /nfs/dbraw/zinc/01/65/71/537016571.db2.gz ZRPLWHCJTOYCAF-HNNXBMFYSA-N 2 2 362.503 1.790 10 0 FDAELP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000247154730 537088200 /nfs/dbraw/zinc/08/82/00/537088200.db2.gz QESBVRXJTXFIRG-VQTJNVASSA-N 2 2 372.513 1.767 10 0 FDAELP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCc2ccc[nH+]c2N2CCOCC2)C1 ZINC000247275736 537102964 /nfs/dbraw/zinc/10/29/64/537102964.db2.gz KCKBNJFCIPKFHT-DOTOQJQBSA-N 2 2 361.490 1.446 10 0 FDAELP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)NCc2ccc[nH+]c2N2CCOCC2)C1 ZINC000247275736 537102968 /nfs/dbraw/zinc/10/29/68/537102968.db2.gz KCKBNJFCIPKFHT-DOTOQJQBSA-N 2 2 361.490 1.446 10 0 FDAELP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)C[C@H](C)O1 ZINC000248645622 537200994 /nfs/dbraw/zinc/20/09/94/537200994.db2.gz GKBZIWQWPXWRAE-SCTDSRPQSA-N 2 2 360.502 1.471 10 0 FDAELP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)C[C@H](C)O1 ZINC000248645622 537200995 /nfs/dbraw/zinc/20/09/95/537200995.db2.gz GKBZIWQWPXWRAE-SCTDSRPQSA-N 2 2 360.502 1.471 10 0 FDAELP C[C@@H]1CN(C(=O)C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)C[C@H](C)O1 ZINC000248645622 537201000 /nfs/dbraw/zinc/20/10/00/537201000.db2.gz GKBZIWQWPXWRAE-SCTDSRPQSA-N 2 2 360.502 1.471 10 0 FDAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)CN2CCOCC2)C1 ZINC000248661253 537202523 /nfs/dbraw/zinc/20/25/23/537202523.db2.gz WZCJYNMCWJCCEB-NVXWUHKLSA-N 2 2 352.548 1.926 10 0 FDAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+]([C@H](C)CN2CCOCC2)C1 ZINC000248661253 537202524 /nfs/dbraw/zinc/20/25/24/537202524.db2.gz WZCJYNMCWJCCEB-NVXWUHKLSA-N 2 2 352.548 1.926 10 0 FDAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)CN2CCOCC2)C1 ZINC000248661253 537202525 /nfs/dbraw/zinc/20/25/25/537202525.db2.gz WZCJYNMCWJCCEB-NVXWUHKLSA-N 2 2 352.548 1.926 10 0 FDAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+]([C@H](C)CN2CCOCC2)C1 ZINC000248661253 537202526 /nfs/dbraw/zinc/20/25/26/537202526.db2.gz WZCJYNMCWJCCEB-NVXWUHKLSA-N 2 2 352.548 1.926 10 0 FDAELP COc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C)CC2 ZINC000486778840 571193666 /nfs/dbraw/zinc/19/36/66/571193666.db2.gz MMSAAEKNFVSDJD-WRWLIDTKSA-N 2 2 354.454 1.896 10 0 FDAELP O=S(=O)(CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)Cc1ccccc1 ZINC000262023957 672714019 /nfs/dbraw/zinc/71/40/19/672714019.db2.gz WVDBWAKOBUFERM-RCCFBDPRSA-N 2 2 352.500 1.348 10 0 FDAELP Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2cccn2CC[NH+]2CCOCC2)C1 ZINC000906594077 853062305 /nfs/dbraw/zinc/06/23/05/853062305.db2.gz MRRHIKWIKFFQSF-GOSISDBHSA-N 2 2 371.485 1.803 10 0 FDAELP O=C(CCn1cc[nH+]c1)Nc1cccc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000195336943 178258942 /nfs/dbraw/zinc/25/89/42/178258942.db2.gz MFZXEGAXMGQQAF-GOSISDBHSA-N 2 2 367.453 1.832 10 0 FDAELP O=C(CCn1cc[nH+]c1)Nc1cccc(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000195336943 178258943 /nfs/dbraw/zinc/25/89/43/178258943.db2.gz MFZXEGAXMGQQAF-GOSISDBHSA-N 2 2 367.453 1.832 10 0 FDAELP C[NH+]1CCN(C(=O)c2cnn(-c3cccc(F)c3)c2C2CC[NH2+]CC2)CC1 ZINC000015726998 204618159 /nfs/dbraw/zinc/61/81/59/204618159.db2.gz ORQCUVFXARKFER-UHFFFAOYSA-N 2 2 371.460 1.866 10 0 FDAELP Cc1ccc([C@H](CNC(=O)NC[C@H](C)[NH+]2CCOCC2)[NH+]2CCCC2)o1 ZINC000102038247 172344484 /nfs/dbraw/zinc/34/44/84/172344484.db2.gz AZTNZMMQQUSAGZ-RDJZCZTQSA-N 2 2 364.490 1.745 10 0 FDAELP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)NC[C@H]2C[NH+](C)CCO2)CC1 ZINC000104797381 172386966 /nfs/dbraw/zinc/38/69/66/172386966.db2.gz ZXBTWVJIODOCJZ-FQEVSTJZSA-N 2 2 374.529 1.871 10 0 FDAELP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)NC[C@H]2C[NH+](C)CCO2)CC1 ZINC000104797381 172386968 /nfs/dbraw/zinc/38/69/68/172386968.db2.gz ZXBTWVJIODOCJZ-FQEVSTJZSA-N 2 2 374.529 1.871 10 0 FDAELP C[NH+](Cc1ccccc1)CC1CCN(C(=O)NC[C@H]2C[N@H+](C)CCO2)CC1 ZINC000104797381 172386970 /nfs/dbraw/zinc/38/69/70/172386970.db2.gz ZXBTWVJIODOCJZ-FQEVSTJZSA-N 2 2 374.529 1.871 10 0 FDAELP C[NH+](Cc1ccccc1)CC1CCN(C(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000104797381 172386972 /nfs/dbraw/zinc/38/69/72/172386972.db2.gz ZXBTWVJIODOCJZ-FQEVSTJZSA-N 2 2 374.529 1.871 10 0 FDAELP C[N@@H+]1CCO[C@H](CNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000105077381 172393654 /nfs/dbraw/zinc/39/36/54/172393654.db2.gz JFAITGJHMAIUJJ-CVEARBPZSA-N 2 2 350.463 1.436 10 0 FDAELP C[N@H+]1CCO[C@H](CNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000105077381 172393655 /nfs/dbraw/zinc/39/36/55/172393655.db2.gz JFAITGJHMAIUJJ-CVEARBPZSA-N 2 2 350.463 1.436 10 0 FDAELP CC(C)[N@@H+]1C[C@H](NC(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)[C@@H](C)C1 ZINC000150787200 173381018 /nfs/dbraw/zinc/38/10/18/173381018.db2.gz KJTGYVILCOKCDE-YOEHRIQHSA-N 2 2 355.442 1.656 10 0 FDAELP Cc1ccc(NCCCNC(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)[nH+]c1 ZINC000175676124 174019630 /nfs/dbraw/zinc/01/96/30/174019630.db2.gz UIWSWUSXONBYKS-IRXDYDNUSA-N 2 2 361.490 1.554 10 0 FDAELP C[C@@H]1CN(C(=O)NCc2ccccc2-n2cc[nH+]c2)C[C@@H]1[NH+]1CCOCC1 ZINC000175715071 174021935 /nfs/dbraw/zinc/02/19/35/174021935.db2.gz ATNVCLOBPKZJAI-APWZRJJASA-N 2 2 369.469 1.734 10 0 FDAELP Cc1nc2n(n1)CCC[C@@H]2NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000175880965 174034608 /nfs/dbraw/zinc/03/46/08/174034608.db2.gz CMDXVVBKAHMZBZ-INIZCTEOSA-N 2 2 363.510 1.089 10 0 FDAELP Cc1nc2n(n1)CCC[C@@H]2NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000175880965 174034610 /nfs/dbraw/zinc/03/46/10/174034610.db2.gz CMDXVVBKAHMZBZ-INIZCTEOSA-N 2 2 363.510 1.089 10 0 FDAELP C[NH+]1CCC(N(Cc2ccccc2)C(=O)NC[C@H]2C[N@H+](C)CCO2)CC1 ZINC000176142300 174053911 /nfs/dbraw/zinc/05/39/11/174053911.db2.gz CZEFERRLNOSQPZ-IBGZPJMESA-N 2 2 360.502 1.623 10 0 FDAELP C[NH+]1CCC(N(Cc2ccccc2)C(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000176142300 174053913 /nfs/dbraw/zinc/05/39/13/174053913.db2.gz CZEFERRLNOSQPZ-IBGZPJMESA-N 2 2 360.502 1.623 10 0 FDAELP C[C@@H]1CCN(C(=O)NC[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000176438741 174070481 /nfs/dbraw/zinc/07/04/81/174070481.db2.gz IXVOFYRBQWFNQP-IEBWSBKVSA-N 2 2 360.502 1.623 10 0 FDAELP C[C@@H]1CCN(C(=O)NC[C@@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1ccccc1 ZINC000176438741 174070483 /nfs/dbraw/zinc/07/04/83/174070483.db2.gz IXVOFYRBQWFNQP-IEBWSBKVSA-N 2 2 360.502 1.623 10 0 FDAELP C[C@@H]1CCN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1ccccc1 ZINC000176438741 174070486 /nfs/dbraw/zinc/07/04/86/174070486.db2.gz IXVOFYRBQWFNQP-IEBWSBKVSA-N 2 2 360.502 1.623 10 0 FDAELP C[C@@H]1CCN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1ccccc1 ZINC000176438741 174070487 /nfs/dbraw/zinc/07/04/87/174070487.db2.gz IXVOFYRBQWFNQP-IEBWSBKVSA-N 2 2 360.502 1.623 10 0 FDAELP CC[C@H](C)[C@@H](NC(=O)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C)C(=O)OC ZINC000178301025 174181436 /nfs/dbraw/zinc/18/14/36/174181436.db2.gz LNVKKUYFCRMVKQ-YSVLISHTSA-N 2 2 350.463 1.360 10 0 FDAELP CC[C@H](C)[C@@H](NC(=O)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C)C(=O)OC ZINC000178301025 174181438 /nfs/dbraw/zinc/18/14/38/174181438.db2.gz LNVKKUYFCRMVKQ-YSVLISHTSA-N 2 2 350.463 1.360 10 0 FDAELP O=C(NCCC[N@@H+]1CCc2ccccc2C1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173774987 258310710 /nfs/dbraw/zinc/31/07/10/258310710.db2.gz SOIDRMYNPFBFBV-FQEVSTJZSA-N 2 2 372.513 1.551 10 0 FDAELP O=C(NCCC[N@H+]1CCc2ccccc2C1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173774987 258310711 /nfs/dbraw/zinc/31/07/11/258310711.db2.gz SOIDRMYNPFBFBV-FQEVSTJZSA-N 2 2 372.513 1.551 10 0 FDAELP CN(C)c1[nH+]cccc1O[C@H]1CC[N@@H+]([C@H]2CCN(C3CCOCC3)C2=O)C1 ZINC000333275232 259329389 /nfs/dbraw/zinc/32/93/89/259329389.db2.gz DFKNBKBUIIRPHI-IRXDYDNUSA-N 2 2 374.485 1.381 10 0 FDAELP CN(C)c1[nH+]cccc1O[C@H]1CC[N@H+]([C@H]2CCN(C3CCOCC3)C2=O)C1 ZINC000333275232 259329390 /nfs/dbraw/zinc/32/93/90/259329390.db2.gz DFKNBKBUIIRPHI-IRXDYDNUSA-N 2 2 374.485 1.381 10 0 FDAELP Cc1ccccc1C[NH+]1CCN(C(=O)NC[C@H](C)[NH+]2CCOCC2)CC1 ZINC000046264693 522265283 /nfs/dbraw/zinc/26/52/83/522265283.db2.gz RNWQFGLVZHUEMU-SFHVURJKSA-N 2 2 360.502 1.543 10 0 FDAELP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000073722825 522596871 /nfs/dbraw/zinc/59/68/71/522596871.db2.gz SURBBVJAYPHQCR-QZTJIDSGSA-N 2 2 354.539 1.859 10 0 FDAELP NC(=O)c1ccsc1NC(=O)CC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000066533321 523099854 /nfs/dbraw/zinc/09/98/54/523099854.db2.gz PPCJGQZSEBCJPP-UHFFFAOYSA-N 2 2 350.488 1.736 10 0 FDAELP COc1c(C[NH+]2CCN(CC[N@H+](C)Cc3ccccc3)CC2)c(C)nn1C ZINC000093104970 524955322 /nfs/dbraw/zinc/95/53/22/524955322.db2.gz ZDVQIFGBODVVEN-UHFFFAOYSA-N 2 2 371.529 1.987 10 0 FDAELP COc1c(C[NH+]2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)c(C)nn1C ZINC000093104970 524955334 /nfs/dbraw/zinc/95/53/34/524955334.db2.gz ZDVQIFGBODVVEN-UHFFFAOYSA-N 2 2 371.529 1.987 10 0 FDAELP CCC[C@H](C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1)[NH+](C)C ZINC000161549489 525126287 /nfs/dbraw/zinc/12/62/87/525126287.db2.gz FLNUXHGAUUMAIL-GOSISDBHSA-N 2 2 350.482 1.794 10 0 FDAELP CCOCC[N@@H+]1CCN(C(=O)NCc2ccc[nH+]c2N(C)C)C[C@H]1CC ZINC000117031707 525272347 /nfs/dbraw/zinc/27/23/47/525272347.db2.gz KKLOWBWEWOFNFF-QGZVFWFLSA-N 2 2 363.506 1.790 10 0 FDAELP CCOCC[N@H+]1CCN(C(=O)NCc2ccc[nH+]c2N(C)C)C[C@H]1CC ZINC000117031707 525272355 /nfs/dbraw/zinc/27/23/55/525272355.db2.gz KKLOWBWEWOFNFF-QGZVFWFLSA-N 2 2 363.506 1.790 10 0 FDAELP C[N@@H+]1CCO[C@@H](CNC(=O)N2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000105279102 525486393 /nfs/dbraw/zinc/48/63/93/525486393.db2.gz GCLPZKJJWDJKCC-SFHVURJKSA-N 2 2 360.502 1.623 10 0 FDAELP C[N@H+]1CCO[C@@H](CNC(=O)N2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000105279102 525486405 /nfs/dbraw/zinc/48/64/05/525486405.db2.gz GCLPZKJJWDJKCC-SFHVURJKSA-N 2 2 360.502 1.623 10 0 FDAELP C[NH+]1CCO[C@@H](CNC(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000105279102 525486417 /nfs/dbraw/zinc/48/64/17/525486417.db2.gz GCLPZKJJWDJKCC-SFHVURJKSA-N 2 2 360.502 1.623 10 0 FDAELP C[NH+]1CCO[C@@H](CNC(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000105279102 525486424 /nfs/dbraw/zinc/48/64/24/525486424.db2.gz GCLPZKJJWDJKCC-SFHVURJKSA-N 2 2 360.502 1.623 10 0 FDAELP C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000105283553 525489757 /nfs/dbraw/zinc/48/97/57/525489757.db2.gz HQYUWOPOSWCBKD-MSOLQXFVSA-N 2 2 352.523 1.615 10 0 FDAELP C[N@H+]1CCO[C@@H](CNC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000105283553 525489766 /nfs/dbraw/zinc/48/97/66/525489766.db2.gz HQYUWOPOSWCBKD-MSOLQXFVSA-N 2 2 352.523 1.615 10 0 FDAELP COC(=O)N[C@@H](C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)C(C)C ZINC000154532560 525563194 /nfs/dbraw/zinc/56/31/94/525563194.db2.gz HQBLRQRAGNXDDP-FCLJQHQZSA-N 2 2 366.506 1.136 10 0 FDAELP COC(=O)N[C@@H](C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)C(C)C ZINC000154532560 525563207 /nfs/dbraw/zinc/56/32/07/525563207.db2.gz HQBLRQRAGNXDDP-FCLJQHQZSA-N 2 2 366.506 1.136 10 0 FDAELP CCC(CC)NC(=O)[C@H](C)[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000106121737 525613786 /nfs/dbraw/zinc/61/37/86/525613786.db2.gz QOVFQLIGNYMKNA-HKUYNNGSSA-N 2 2 368.566 1.407 10 0 FDAELP CCC(CC)NC(=O)[C@H](C)[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000106121737 525613792 /nfs/dbraw/zinc/61/37/92/525613792.db2.gz QOVFQLIGNYMKNA-HKUYNNGSSA-N 2 2 368.566 1.407 10 0 FDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)NC(=O)NCc2ccco2)C1 ZINC000106217253 525673843 /nfs/dbraw/zinc/67/38/43/525673843.db2.gz TXNBLFUMKPUUDH-CQSZACIVSA-N 2 2 359.430 1.701 10 0 FDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)NC(=O)NCc2ccco2)C1 ZINC000106217253 525673853 /nfs/dbraw/zinc/67/38/53/525673853.db2.gz TXNBLFUMKPUUDH-CQSZACIVSA-N 2 2 359.430 1.701 10 0 FDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N[C@@H](CC(C)C)C(=O)OC)C1 ZINC000106215711 525674830 /nfs/dbraw/zinc/67/48/30/525674830.db2.gz UQAFQGJJZODKNH-CVEARBPZSA-N 2 2 364.490 1.786 10 0 FDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N[C@@H](CC(C)C)C(=O)OC)C1 ZINC000106215711 525674839 /nfs/dbraw/zinc/67/48/39/525674839.db2.gz UQAFQGJJZODKNH-CVEARBPZSA-N 2 2 364.490 1.786 10 0 FDAELP C[N@@H+]1CCO[C@@H](CNC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)C1 ZINC000170924872 525772634 /nfs/dbraw/zinc/77/26/34/525772634.db2.gz LASAXLVTIVLAQA-MEQKGCOVSA-N 2 2 358.486 1.358 10 0 FDAELP C[N@H+]1CCO[C@@H](CNC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)C1 ZINC000170924872 525772644 /nfs/dbraw/zinc/77/26/44/525772644.db2.gz LASAXLVTIVLAQA-MEQKGCOVSA-N 2 2 358.486 1.358 10 0 FDAELP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000184563995 536164685 /nfs/dbraw/zinc/16/46/85/536164685.db2.gz QOXDGUQITXQRBL-RTBURBONSA-N 2 2 362.518 1.773 10 0 FDAELP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000184563995 536164687 /nfs/dbraw/zinc/16/46/87/536164687.db2.gz QOXDGUQITXQRBL-RTBURBONSA-N 2 2 362.518 1.773 10 0 FDAELP CC(C)[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000184563995 536164689 /nfs/dbraw/zinc/16/46/89/536164689.db2.gz QOXDGUQITXQRBL-RTBURBONSA-N 2 2 362.518 1.773 10 0 FDAELP CC(C)[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000184563995 536164692 /nfs/dbraw/zinc/16/46/92/536164692.db2.gz QOXDGUQITXQRBL-RTBURBONSA-N 2 2 362.518 1.773 10 0 FDAELP CC[C@@H]1CN(C(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)CC[N@@H+]1C[C@H](C)O ZINC000246699899 537006843 /nfs/dbraw/zinc/00/68/43/537006843.db2.gz CBGMJMMJGKFJAY-PKOBYXMFSA-N 2 2 374.529 1.910 10 0 FDAELP CC[C@@H]1CN(C(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)CC[N@H+]1C[C@H](C)O ZINC000246699899 537006845 /nfs/dbraw/zinc/00/68/45/537006845.db2.gz CBGMJMMJGKFJAY-PKOBYXMFSA-N 2 2 374.529 1.910 10 0 FDAELP C[C@@H]1C(=O)NCCC[N@H+]1Cc1cccc(C[NH+]2CCCNC(=O)[C@@H]2C)c1 ZINC000189272724 537020180 /nfs/dbraw/zinc/02/01/80/537020180.db2.gz ASNWTTWNNRFAQD-IYBDPMFKSA-N 2 2 358.486 1.107 10 0 FDAELP C[C@@H]1C(=O)NCCC[N@@H+]1Cc1cccc(C[NH+]2CCCNC(=O)[C@@H]2C)c1 ZINC000189272724 537020186 /nfs/dbraw/zinc/02/01/86/537020186.db2.gz ASNWTTWNNRFAQD-IYBDPMFKSA-N 2 2 358.486 1.107 10 0 FDAELP C[C@@H]1C(=O)NCCC[NH+]1Cc1cccc(C[N@@H+]2CCCNC(=O)[C@@H]2C)c1 ZINC000189272724 537020192 /nfs/dbraw/zinc/02/01/92/537020192.db2.gz ASNWTTWNNRFAQD-IYBDPMFKSA-N 2 2 358.486 1.107 10 0 FDAELP C[C@@H]1C(=O)NCCC[NH+]1Cc1cccc(C[N@H+]2CCCNC(=O)[C@@H]2C)c1 ZINC000189272724 537020199 /nfs/dbraw/zinc/02/01/99/537020199.db2.gz ASNWTTWNNRFAQD-IYBDPMFKSA-N 2 2 358.486 1.107 10 0 FDAELP C[C@@H]1C(=O)NCCC[N@H+]1Cc1ccccc1C[NH+]1CCCNC(=O)[C@@H]1C ZINC000189315740 537027249 /nfs/dbraw/zinc/02/72/49/537027249.db2.gz QQHDVVWNALIAEH-IYBDPMFKSA-N 2 2 358.486 1.107 10 0 FDAELP C[C@@H]1C(=O)NCCC[N@@H+]1Cc1ccccc1C[NH+]1CCCNC(=O)[C@@H]1C ZINC000189315740 537027255 /nfs/dbraw/zinc/02/72/55/537027255.db2.gz QQHDVVWNALIAEH-IYBDPMFKSA-N 2 2 358.486 1.107 10 0 FDAELP C[C@@H]1C(=O)NCCC[NH+]1Cc1ccccc1C[N@@H+]1CCCNC(=O)[C@@H]1C ZINC000189315740 537027259 /nfs/dbraw/zinc/02/72/59/537027259.db2.gz QQHDVVWNALIAEH-IYBDPMFKSA-N 2 2 358.486 1.107 10 0 FDAELP COC[C@@H](C)NC(=O)NC(=O)C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189897934 537111975 /nfs/dbraw/zinc/11/19/75/537111975.db2.gz RGTDJCPYCZSWOR-KGLIPLIRSA-N 2 2 359.430 1.384 10 0 FDAELP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H](C)[NH+]2CCOCC2)C1 ZINC000247508460 537128091 /nfs/dbraw/zinc/12/80/91/537128091.db2.gz OZOVRWWTEOTDJY-IRXDYDNUSA-N 2 2 354.539 1.907 10 0 FDAELP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H](C)[NH+]2CCOCC2)C1 ZINC000247508460 537128094 /nfs/dbraw/zinc/12/80/94/537128094.db2.gz OZOVRWWTEOTDJY-IRXDYDNUSA-N 2 2 354.539 1.907 10 0 FDAELP C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248644818 537201012 /nfs/dbraw/zinc/20/10/12/537201012.db2.gz FPZWTAOZBLBYPY-NZSAHSFTSA-N 2 2 360.502 1.519 10 0 FDAELP C[C@H](C(=O)NC[C@H]1CCCO1)[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248644818 537201015 /nfs/dbraw/zinc/20/10/15/537201015.db2.gz FPZWTAOZBLBYPY-NZSAHSFTSA-N 2 2 360.502 1.519 10 0 FDAELP C[C@H](C(=O)NC[C@H]1CCCO1)[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248644818 537201017 /nfs/dbraw/zinc/20/10/17/537201017.db2.gz FPZWTAOZBLBYPY-NZSAHSFTSA-N 2 2 360.502 1.519 10 0 FDAELP C[C@H](C(=O)NC[C@H]1CCCO1)[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248644818 537201019 /nfs/dbraw/zinc/20/10/19/537201019.db2.gz FPZWTAOZBLBYPY-NZSAHSFTSA-N 2 2 360.502 1.519 10 0 FDAELP C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248656034 537202431 /nfs/dbraw/zinc/20/24/31/537202431.db2.gz QZADKOROBZZGJC-HOCLYGCPSA-N 2 2 359.474 1.212 10 0 FDAELP C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248656034 537202433 /nfs/dbraw/zinc/20/24/33/537202433.db2.gz QZADKOROBZZGJC-HOCLYGCPSA-N 2 2 359.474 1.212 10 0 FDAELP C[C@@H](C(=O)NC(=O)NC1CC1)[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248656034 537202435 /nfs/dbraw/zinc/20/24/35/537202435.db2.gz QZADKOROBZZGJC-HOCLYGCPSA-N 2 2 359.474 1.212 10 0 FDAELP C[C@@H](C(=O)NC(=O)NC1CC1)[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248656034 537202437 /nfs/dbraw/zinc/20/24/37/537202437.db2.gz QZADKOROBZZGJC-HOCLYGCPSA-N 2 2 359.474 1.212 10 0 FDAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H]2CCCC[C@H]2S(C)(=O)=O)nc[nH+]1 ZINC000246099087 672489165 /nfs/dbraw/zinc/48/91/65/672489165.db2.gz XSEFHXSZLOCRSB-RBSFLKMASA-N 2 2 367.519 1.433 10 0 FDAELP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cccc(Br)c1OC(F)F ZINC000262179799 672741900 /nfs/dbraw/zinc/74/19/00/672741900.db2.gz WOYCLXNNODKRSO-KOLCDFICSA-N 2 2 351.191 1.720 10 0 FDAELP CNc1cc(N2CCC[C@H]2CNC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)[nH+]cn1 ZINC000245482842 178361845 /nfs/dbraw/zinc/36/18/45/178361845.db2.gz DNVJDHWDPLBXKW-JKSUJKDBSA-N 2 2 373.505 1.367 10 0 FDAELP O=C(C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)N1CC(=O)Nc2ccccc21 ZINC000171646922 258266827 /nfs/dbraw/zinc/26/68/27/258266827.db2.gz FCDFTIWVMRVBDL-OAHLLOKOSA-N 2 2 365.437 1.801 10 0 FDAELP O=C(C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)N1CC(=O)Nc2ccccc21 ZINC000171646922 258266828 /nfs/dbraw/zinc/26/68/28/258266828.db2.gz FCDFTIWVMRVBDL-OAHLLOKOSA-N 2 2 365.437 1.801 10 0 FDAELP Cc1cccc(NC[C@H]2CC[N@@H+]([C@@H](C)c3nc(N)nc(N(C)C)n3)C2)[nH+]1 ZINC000171650835 258267266 /nfs/dbraw/zinc/26/72/66/258267266.db2.gz JBAHFJLLQPMVOE-UONOGXRCSA-N 2 2 356.478 1.718 10 0 FDAELP Cc1cccc(NC[C@H]2CC[N@H+]([C@@H](C)c3nc(N)nc(N(C)C)n3)C2)[nH+]1 ZINC000171650835 258267267 /nfs/dbraw/zinc/26/72/67/258267267.db2.gz JBAHFJLLQPMVOE-UONOGXRCSA-N 2 2 356.478 1.718 10 0 FDAELP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@@H](C)c3nc(N)nc(N(C)C)n3)C2)[nH+]1 ZINC000171650832 258267371 /nfs/dbraw/zinc/26/73/71/258267371.db2.gz JBAHFJLLQPMVOE-KBPBESRZSA-N 2 2 356.478 1.718 10 0 FDAELP Cc1cccc(NC[C@@H]2CC[N@H+]([C@@H](C)c3nc(N)nc(N(C)C)n3)C2)[nH+]1 ZINC000171650832 258267372 /nfs/dbraw/zinc/26/73/72/258267372.db2.gz JBAHFJLLQPMVOE-KBPBESRZSA-N 2 2 356.478 1.718 10 0 FDAELP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000172459108 258276459 /nfs/dbraw/zinc/27/64/59/258276459.db2.gz ONLDUKQDFPWTJM-INIZCTEOSA-N 2 2 363.506 1.903 10 0 FDAELP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000172459108 258276460 /nfs/dbraw/zinc/27/64/60/258276460.db2.gz ONLDUKQDFPWTJM-INIZCTEOSA-N 2 2 363.506 1.903 10 0 FDAELP C[C@@H](CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)[NH+]1CCOCC1 ZINC000071913096 172040433 /nfs/dbraw/zinc/04/04/33/172040433.db2.gz GAYOBIJEMWQKGR-JKSUJKDBSA-N 2 2 350.463 1.436 10 0 FDAELP C[C@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N1CCCCC1 ZINC000077620326 172130050 /nfs/dbraw/zinc/13/00/50/172130050.db2.gz NBVYXHYGURWKTE-INIZCTEOSA-N 2 2 367.538 1.055 10 0 FDAELP C[C@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N1CCCCC1 ZINC000077620326 172130052 /nfs/dbraw/zinc/13/00/52/172130052.db2.gz NBVYXHYGURWKTE-INIZCTEOSA-N 2 2 367.538 1.055 10 0 FDAELP CC(C)C[C@H](C[NH+](C)C)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000127493814 173078675 /nfs/dbraw/zinc/07/86/75/173078675.db2.gz OAYZOQITZVFGMH-GOSISDBHSA-N 3 2 367.582 1.821 10 0 FDAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)C(=O)NCC(F)(F)F)nc[nH+]1 ZINC000174283909 258322993 /nfs/dbraw/zinc/32/29/93/258322993.db2.gz FKNMOALLDCPDGF-GHMZBOCLSA-N 2 2 360.384 1.144 10 0 FDAELP CCOC(=O)c1cnn(C)c1NC(=O)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178331367 258328745 /nfs/dbraw/zinc/32/87/45/258328745.db2.gz DWMPZMPAFPNNOH-CQSZACIVSA-N 2 2 374.445 1.205 10 0 FDAELP CCOC(=O)c1cnn(C)c1NC(=O)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178331367 258328746 /nfs/dbraw/zinc/32/87/46/258328746.db2.gz DWMPZMPAFPNNOH-CQSZACIVSA-N 2 2 374.445 1.205 10 0 FDAELP COC(=O)C1(NC(=O)C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)CCCCC1 ZINC000178753844 258334316 /nfs/dbraw/zinc/33/43/16/258334316.db2.gz CZHUTCXWGDJWLU-MRXNPFEDSA-N 2 2 362.474 1.648 10 0 FDAELP COC(=O)C1(NC(=O)C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)CCCCC1 ZINC000178753844 258334317 /nfs/dbraw/zinc/33/43/17/258334317.db2.gz CZHUTCXWGDJWLU-MRXNPFEDSA-N 2 2 362.474 1.648 10 0 FDAELP Cn1cc([C@H](CNc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)[NH+](C)C)cn1 ZINC000301259778 259024516 /nfs/dbraw/zinc/02/45/16/259024516.db2.gz CNJGOQRJOMHIHX-ZBFHGGJFSA-N 2 2 359.478 1.134 10 0 FDAELP NC(=O)c1c[nH+]ccc1NCCC[NH+]1CCN(c2ccccc2F)CC1 ZINC000302232037 259040866 /nfs/dbraw/zinc/04/08/66/259040866.db2.gz SIHPZDCOUMGNEM-UHFFFAOYSA-N 2 2 357.433 1.944 10 0 FDAELP COCCc1cc(=O)[nH]c(-c2ccc(C[N@H+](C)CCn3cc[nH+]c3)cc2)n1 ZINC000023505151 518956196 /nfs/dbraw/zinc/95/61/96/518956196.db2.gz LQAKIONUYSMRCD-UHFFFAOYSA-N 2 2 367.453 1.954 10 0 FDAELP COCCc1cc(=O)[nH]c(-c2ccc(C[N@@H+](C)CCn3cc[nH+]c3)cc2)n1 ZINC000023505151 518956200 /nfs/dbraw/zinc/95/62/00/518956200.db2.gz LQAKIONUYSMRCD-UHFFFAOYSA-N 2 2 367.453 1.954 10 0 FDAELP CCNC(=O)[C@@H]1C[C@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)C[N@@H+]1C ZINC000091548064 521744878 /nfs/dbraw/zinc/74/48/78/521744878.db2.gz LLESXKPRVFHEAE-OALUTQOASA-N 2 2 372.513 1.611 10 0 FDAELP CCNC(=O)[C@@H]1C[C@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)C[N@H+]1C ZINC000091548064 521744879 /nfs/dbraw/zinc/74/48/79/521744879.db2.gz LLESXKPRVFHEAE-OALUTQOASA-N 2 2 372.513 1.611 10 0 FDAELP C[C@@H](CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)[NH+]1CCOCC1 ZINC000047777665 522600252 /nfs/dbraw/zinc/60/02/52/522600252.db2.gz WTUQCCLPTNCSDU-DLBZAZTESA-N 2 2 364.490 1.827 10 0 FDAELP CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H](c2cccs2)[NH+]2CCOCC2)C1 ZINC000052498633 523184520 /nfs/dbraw/zinc/18/45/20/523184520.db2.gz DNUYUABUPYSQGT-CVEARBPZSA-N 2 2 366.531 1.905 10 0 FDAELP CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H](c2cccs2)[NH+]2CCOCC2)C1 ZINC000052498633 523184531 /nfs/dbraw/zinc/18/45/31/523184531.db2.gz DNUYUABUPYSQGT-CVEARBPZSA-N 2 2 366.531 1.905 10 0 FDAELP C[C@@H](CNC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)[NH+]1CCOCC1 ZINC000079653692 523779592 /nfs/dbraw/zinc/77/95/92/523779592.db2.gz SJSXOYFCAHSJGY-WMLDXEAASA-N 2 2 352.454 1.448 10 0 FDAELP CC[NH+](CC)CC(=O)N1CCN(c2cc(N3CCC[C@@H](C)C3)[nH+]cn2)CC1 ZINC000110540906 524102091 /nfs/dbraw/zinc/10/20/91/524102091.db2.gz RRKQQMOBURYICS-QGZVFWFLSA-N 2 2 374.533 1.703 10 0 FDAELP CC[NH+](CC)CC(=O)N1CCN(c2cc(N3CCC[C@@H](C)C3)nc[nH+]2)CC1 ZINC000110540906 524102101 /nfs/dbraw/zinc/10/21/01/524102101.db2.gz RRKQQMOBURYICS-QGZVFWFLSA-N 2 2 374.533 1.703 10 0 FDAELP C[NH+](C)[C@@H]1CCN(C(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)C1 ZINC000111896501 524373248 /nfs/dbraw/zinc/37/32/48/524373248.db2.gz RMTBKANPBRIJTC-RBUKOAKNSA-N 2 2 360.502 1.275 10 0 FDAELP C[NH+](C)C[C@@H](NC(=O)C[NH+]1CCN(c2ccccn2)CC1)c1ccccc1 ZINC000175036234 524846246 /nfs/dbraw/zinc/84/62/46/524846246.db2.gz CPVCQHSRCAVDSF-LJQANCHMSA-N 2 2 367.497 1.623 10 0 FDAELP COCCC[N@H+](C)CCNC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000175735118 524999162 /nfs/dbraw/zinc/99/91/62/524999162.db2.gz IJULSAUBAJBGFM-UHFFFAOYSA-N 2 2 351.495 1.580 10 0 FDAELP COCCC[N@@H+](C)CCNC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000175735118 524999172 /nfs/dbraw/zinc/99/91/72/524999172.db2.gz IJULSAUBAJBGFM-UHFFFAOYSA-N 2 2 351.495 1.580 10 0 FDAELP CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H](C)[NH+]2CCOCC2)[C@H](C)C1 ZINC000115796620 525060452 /nfs/dbraw/zinc/06/04/52/525060452.db2.gz FCBVZOWTYKIQDI-KURKYZTESA-N 2 2 370.538 1.143 10 0 FDAELP CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@@H](C)[NH+]2CCOCC2)[C@H](C)C1 ZINC000115796620 525060459 /nfs/dbraw/zinc/06/04/59/525060459.db2.gz FCBVZOWTYKIQDI-KURKYZTESA-N 2 2 370.538 1.143 10 0 FDAELP O=C(NCCCn1cc[nH+]c1)[C@@H]1CCC[C@@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000152985315 525066965 /nfs/dbraw/zinc/06/69/65/525066965.db2.gz SZAYNZBCGBNLEO-CALCHBBNSA-N 2 2 372.473 1.209 10 0 FDAELP CNC(=O)[C@@H](c1ccccc1)[N@@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCCCC1 ZINC000096112985 525135233 /nfs/dbraw/zinc/13/52/33/525135233.db2.gz LAESZPAHUJAXDT-RBUKOAKNSA-N 2 2 372.513 1.540 10 0 FDAELP CNC(=O)[C@@H](c1ccccc1)[N@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCCCC1 ZINC000096112985 525135238 /nfs/dbraw/zinc/13/52/38/525135238.db2.gz LAESZPAHUJAXDT-RBUKOAKNSA-N 2 2 372.513 1.540 10 0 FDAELP CC(=O)Nc1cccc(C[NH+]2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)c1 ZINC000106120641 525614217 /nfs/dbraw/zinc/61/42/17/525614217.db2.gz MXUFVIIOCAMNCG-OAQYLSRUSA-N 2 2 374.529 1.872 10 0 FDAELP CC(=O)Nc1cccc(C[NH+]2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)c1 ZINC000106120641 525614224 /nfs/dbraw/zinc/61/42/24/525614224.db2.gz MXUFVIIOCAMNCG-OAQYLSRUSA-N 2 2 374.529 1.872 10 0 FDAELP C[N@H+](C[C@@H](O)COc1ccccc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000106129319 525621353 /nfs/dbraw/zinc/62/13/53/525621353.db2.gz HMCAHSXUFUUEHT-LJQANCHMSA-N 2 2 358.486 1.719 10 0 FDAELP C[N@@H+](C[C@@H](O)COc1ccccc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000106129319 525621362 /nfs/dbraw/zinc/62/13/62/525621362.db2.gz HMCAHSXUFUUEHT-LJQANCHMSA-N 2 2 358.486 1.719 10 0 FDAELP C[N@H+](CC(=O)NCc1ccccc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000106130548 525623437 /nfs/dbraw/zinc/62/34/37/525623437.db2.gz YOKLUEPDPVKFPM-UHFFFAOYSA-N 2 2 355.486 1.596 10 0 FDAELP C[N@@H+](CC(=O)NCc1ccccc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000106130548 525623438 /nfs/dbraw/zinc/62/34/38/525623438.db2.gz YOKLUEPDPVKFPM-UHFFFAOYSA-N 2 2 355.486 1.596 10 0 FDAELP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000170708172 525690150 /nfs/dbraw/zinc/69/01/50/525690150.db2.gz INILSLLIXPYEGO-KRWDZBQOSA-N 2 2 361.490 1.199 10 0 FDAELP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000170708172 525690162 /nfs/dbraw/zinc/69/01/62/525690162.db2.gz INILSLLIXPYEGO-KRWDZBQOSA-N 2 2 361.490 1.199 10 0 FDAELP Cc1cccc([C@@H](CNC(=O)N2CC[C@H]([NH+](C)C)C2)[NH+]2CCOCC2)c1 ZINC000170829492 525727644 /nfs/dbraw/zinc/72/76/44/525727644.db2.gz FXLDETIQQXIKSQ-RBUKOAKNSA-N 2 2 360.502 1.714 10 0 FDAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H]2CCN(c3ccccc3)C2=O)nc[nH+]1 ZINC000109328635 526108947 /nfs/dbraw/zinc/10/89/47/526108947.db2.gz ABERMUMRFCLNHG-IAGOWNOFSA-N 2 2 366.469 1.882 10 0 FDAELP CC[C@H](O)C[NH+]1CCN(C(=O)NCCn2c(C)[nH+]c3ccccc32)CC1 ZINC000184742727 536180833 /nfs/dbraw/zinc/18/08/33/536180833.db2.gz OYUPNKYYTKSQAQ-INIZCTEOSA-N 2 2 359.474 1.443 10 0 FDAELP CNc1cc(N2CCC[C@H]2CNC(=O)N(C)CC[N@H+](C)C2CC2)nc[nH+]1 ZINC000185481963 536209808 /nfs/dbraw/zinc/20/98/08/536209808.db2.gz NPXAGCSABXRORS-HNNXBMFYSA-N 2 2 361.494 1.223 10 0 FDAELP CNc1cc(N2CCC[C@H]2CNC(=O)N(C)CC[N@@H+](C)C2CC2)nc[nH+]1 ZINC000185481963 536209809 /nfs/dbraw/zinc/20/98/09/536209809.db2.gz NPXAGCSABXRORS-HNNXBMFYSA-N 2 2 361.494 1.223 10 0 FDAELP CNc1cc(N2CCC[C@H]2CNC(=O)N(C)CC[N@H+](C)C2CC2)[nH+]cn1 ZINC000185481963 536209810 /nfs/dbraw/zinc/20/98/10/536209810.db2.gz NPXAGCSABXRORS-HNNXBMFYSA-N 2 2 361.494 1.223 10 0 FDAELP CNc1cc(N2CCC[C@H]2CNC(=O)N(C)CC[N@@H+](C)C2CC2)[nH+]cn1 ZINC000185481963 536209811 /nfs/dbraw/zinc/20/98/11/536209811.db2.gz NPXAGCSABXRORS-HNNXBMFYSA-N 2 2 361.494 1.223 10 0 FDAELP CC[C@@H]1CN(C(=O)NC[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000185623270 536213900 /nfs/dbraw/zinc/21/39/00/536213900.db2.gz ORBZFJUEJTZGPC-RTBURBONSA-N 2 2 360.502 1.623 10 0 FDAELP CC[C@@H]1CN(C(=O)NC[C@@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1ccccc1 ZINC000185623270 536213901 /nfs/dbraw/zinc/21/39/01/536213901.db2.gz ORBZFJUEJTZGPC-RTBURBONSA-N 2 2 360.502 1.623 10 0 FDAELP CC[C@@H]1CN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1ccccc1 ZINC000185623270 536213902 /nfs/dbraw/zinc/21/39/02/536213902.db2.gz ORBZFJUEJTZGPC-RTBURBONSA-N 2 2 360.502 1.623 10 0 FDAELP CC[C@@H]1CN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1ccccc1 ZINC000185623270 536213903 /nfs/dbraw/zinc/21/39/03/536213903.db2.gz ORBZFJUEJTZGPC-RTBURBONSA-N 2 2 360.502 1.623 10 0 FDAELP O=C(NC1CC[NH+](CCOc2ccc(F)cc2)CC1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263162437 536984970 /nfs/dbraw/zinc/98/49/70/536984970.db2.gz DYHUXBGJVIFCIU-INIZCTEOSA-N 2 2 371.403 1.782 10 0 FDAELP CC[C@@H]1CN(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)CC[N@@H+]1CCOC ZINC000246968015 537060014 /nfs/dbraw/zinc/06/00/14/537060014.db2.gz DTPIVXVWYSHKHY-QZTJIDSGSA-N 2 2 370.538 1.095 10 0 FDAELP CC[C@@H]1CN(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)CC[N@H+]1CCOC ZINC000246968015 537060018 /nfs/dbraw/zinc/06/00/18/537060018.db2.gz DTPIVXVWYSHKHY-QZTJIDSGSA-N 2 2 370.538 1.095 10 0 FDAELP C[C@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000246995383 537065952 /nfs/dbraw/zinc/06/59/52/537065952.db2.gz FIDBUKGDAQBPAF-IRXDYDNUSA-N 2 2 362.543 1.561 10 0 FDAELP C[C@H]1C[N@H+]2CCC[C@H]2CN1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000246995383 537065954 /nfs/dbraw/zinc/06/59/54/537065954.db2.gz FIDBUKGDAQBPAF-IRXDYDNUSA-N 2 2 362.543 1.561 10 0 FDAELP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000246995399 537066100 /nfs/dbraw/zinc/06/61/00/537066100.db2.gz FIDBUKGDAQBPAF-SJORKVTESA-N 2 2 362.543 1.561 10 0 FDAELP C[C@@H]1C[N@H+]2CCC[C@H]2CN1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000246995399 537066102 /nfs/dbraw/zinc/06/61/02/537066102.db2.gz FIDBUKGDAQBPAF-SJORKVTESA-N 2 2 362.543 1.561 10 0 FDAELP COCC[N@@H+]1CCN(C(=O)[C@H](C(C)C)[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000247185565 537091761 /nfs/dbraw/zinc/09/17/61/537091761.db2.gz RZLUWHYJFIMZJW-XSLAGTTESA-N 2 2 355.523 1.299 10 0 FDAELP COCC[N@H+]1CCN(C(=O)[C@H](C(C)C)[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000247185565 537091762 /nfs/dbraw/zinc/09/17/62/537091762.db2.gz RZLUWHYJFIMZJW-XSLAGTTESA-N 2 2 355.523 1.299 10 0 FDAELP COCC[N@@H+]1CCN(C(=O)[C@H](C(C)C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000247185508 537092013 /nfs/dbraw/zinc/09/20/13/537092013.db2.gz RZLUWHYJFIMZJW-BDXSIMOUSA-N 2 2 355.523 1.299 10 0 FDAELP COCC[N@H+]1CCN(C(=O)[C@H](C(C)C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000247185508 537092016 /nfs/dbraw/zinc/09/20/16/537092016.db2.gz RZLUWHYJFIMZJW-BDXSIMOUSA-N 2 2 355.523 1.299 10 0 FDAELP COCC[NH+]1CCN(C(=O)[C@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000247185508 537092020 /nfs/dbraw/zinc/09/20/20/537092020.db2.gz RZLUWHYJFIMZJW-BDXSIMOUSA-N 2 2 355.523 1.299 10 0 FDAELP COCC[NH+]1CCN(C(=O)[C@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000247185508 537092022 /nfs/dbraw/zinc/09/20/22/537092022.db2.gz RZLUWHYJFIMZJW-BDXSIMOUSA-N 2 2 355.523 1.299 10 0 FDAELP CC[C@H]1CN(C(=O)NCCCNc2ccc(C)c[nH+]2)CC[N@@H+]1C[C@H](C)O ZINC000248463862 537185808 /nfs/dbraw/zinc/18/58/08/537185808.db2.gz XWZRWIYKOLAHED-IRXDYDNUSA-N 2 2 363.506 1.679 10 0 FDAELP CC[C@H]1CN(C(=O)NCCCNc2ccc(C)c[nH+]2)CC[N@H+]1C[C@H](C)O ZINC000248463862 537185811 /nfs/dbraw/zinc/18/58/11/537185811.db2.gz XWZRWIYKOLAHED-IRXDYDNUSA-N 2 2 363.506 1.679 10 0 FDAELP CCCC(=O)N[C@@H]1CCC[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000249297986 537232642 /nfs/dbraw/zinc/23/26/42/537232642.db2.gz NHLVNBNRNAHZBM-RTBURBONSA-N 2 2 374.529 1.786 10 0 FDAELP CCCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000249297986 537232644 /nfs/dbraw/zinc/23/26/44/537232644.db2.gz NHLVNBNRNAHZBM-RTBURBONSA-N 2 2 374.529 1.786 10 0 FDAELP C[C@@H]1C[NH+]=C(N2CCN(C(=O)c3ccn([C@@H]4CCC[NH2+]C4)n3)CC2)S1 ZINC000262785278 537254727 /nfs/dbraw/zinc/25/47/27/537254727.db2.gz NSZSELRUKWTVEF-ZIAGYGMSSA-N 2 2 362.503 1.057 10 0 FDAELP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000486868999 571197694 /nfs/dbraw/zinc/19/76/94/571197694.db2.gz MGZLRPWRMJMHSP-VQIMIIECSA-N 2 2 350.426 1.715 10 0 FDAELP O=C(CCn1cc[nH+]c1)Nc1cccc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000195336952 178259118 /nfs/dbraw/zinc/25/91/18/178259118.db2.gz MFZXEGAXMGQQAF-SFHVURJKSA-N 2 2 367.453 1.832 10 0 FDAELP O=C(CCn1cc[nH+]c1)Nc1cccc(C(=O)N2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000195336952 178259124 /nfs/dbraw/zinc/25/91/24/178259124.db2.gz MFZXEGAXMGQQAF-SFHVURJKSA-N 2 2 367.453 1.832 10 0 FDAELP CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)C(=O)C[C@H]1CSCC[NH2+]1 ZINC000133767621 173312877 /nfs/dbraw/zinc/31/28/77/173312877.db2.gz RYUGOLFOCRYQIH-GJZGRUSLSA-N 2 2 369.556 1.675 10 0 FDAELP C[C@H]1CN(C(=O)NCCc2cn3ccccc3[nH+]2)C[C@@H]1[NH+]1CCOCC1 ZINC000175648173 174017068 /nfs/dbraw/zinc/01/70/68/174017068.db2.gz JYARHFZBJLISRV-RDJZCZTQSA-N 2 2 357.458 1.239 10 0 FDAELP C[C@H]1CN(C(=O)NCc2cccnc2-n2cc[nH+]c2)C[C@@H]1[NH+]1CCOCC1 ZINC000175664818 174017882 /nfs/dbraw/zinc/01/78/82/174017882.db2.gz HINMPUKEEPIPOM-RDJZCZTQSA-N 2 2 370.457 1.129 10 0 FDAELP CC(C)[C@H](CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)[NH+]1CCN(C)CC1 ZINC000177380763 174126003 /nfs/dbraw/zinc/12/60/03/174126003.db2.gz OZQQFEINSAVGPX-MSOLQXFVSA-N 2 2 362.522 1.329 10 0 FDAELP CC(C)[C@H](CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)N1CC[NH+](C)CC1 ZINC000177380763 174126005 /nfs/dbraw/zinc/12/60/05/174126005.db2.gz OZQQFEINSAVGPX-MSOLQXFVSA-N 2 2 362.522 1.329 10 0 FDAELP CCOCC[N@@H+]1CCN(C(=O)NCc2ccn3cc[nH+]c3c2)C[C@H]1CC ZINC000177760245 174155081 /nfs/dbraw/zinc/15/50/81/174155081.db2.gz MAQPAIOJLDHQPN-QGZVFWFLSA-N 2 2 359.474 1.977 10 0 FDAELP CCOCC[N@H+]1CCN(C(=O)NCc2ccn3cc[nH+]c3c2)C[C@H]1CC ZINC000177760245 174155082 /nfs/dbraw/zinc/15/50/82/174155082.db2.gz MAQPAIOJLDHQPN-QGZVFWFLSA-N 2 2 359.474 1.977 10 0 FDAELP C[C@@H]1C[N@@H+]([C@@H](CNC(=O)C2CC[NH+](C)CC2)c2cccs2)CCO1 ZINC000177974587 174166119 /nfs/dbraw/zinc/16/61/19/174166119.db2.gz NBJAYBTYAARFIW-ZBFHGGJFSA-N 2 2 351.516 1.968 10 0 FDAELP C[C@@H]1C[N@H+]([C@@H](CNC(=O)C2CC[NH+](C)CC2)c2cccs2)CCO1 ZINC000177974587 174166121 /nfs/dbraw/zinc/16/61/21/174166121.db2.gz NBJAYBTYAARFIW-ZBFHGGJFSA-N 2 2 351.516 1.968 10 0 FDAELP CNc1cc(N2CCC[C@@H]2CNC(=O)NC2CC[NH+](C3CC3)CC2)nc[nH+]1 ZINC000173642366 258306125 /nfs/dbraw/zinc/30/61/25/258306125.db2.gz ADIDGMPRJYXGCS-MRXNPFEDSA-N 2 2 373.505 1.413 10 0 FDAELP CNc1cc(N2CCC[C@@H]2CNC(=O)NC2CC[NH+](C3CC3)CC2)[nH+]cn1 ZINC000173642366 258306126 /nfs/dbraw/zinc/30/61/26/258306126.db2.gz ADIDGMPRJYXGCS-MRXNPFEDSA-N 2 2 373.505 1.413 10 0 FDAELP O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173773910 258310784 /nfs/dbraw/zinc/31/07/84/258310784.db2.gz DNIUOSVATGDOPU-UXHICEINSA-N 2 2 372.513 1.940 10 0 FDAELP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)c1ccco1 ZINC000173906278 258314390 /nfs/dbraw/zinc/31/43/90/258314390.db2.gz ZICKCYNBPCFWTL-IAGOWNOFSA-N 2 2 364.490 1.779 10 0 FDAELP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000177071337 258326010 /nfs/dbraw/zinc/32/60/10/258326010.db2.gz KIOVDTBUENHVKO-KRWDZBQOSA-N 2 2 369.469 1.968 10 0 FDAELP CC[N@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000177071337 258326011 /nfs/dbraw/zinc/32/60/11/258326011.db2.gz KIOVDTBUENHVKO-KRWDZBQOSA-N 2 2 369.469 1.968 10 0 FDAELP C[C@@H]1CN(C(=O)Cc2ccc3n[nH]cc3c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000330007280 259121666 /nfs/dbraw/zinc/12/16/66/259121666.db2.gz DLAQAKZYMJVDRQ-OAHLLOKOSA-N 2 2 355.486 1.732 10 0 FDAELP COC(=O)N[C@H](CC(C)C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000050796918 522940040 /nfs/dbraw/zinc/94/00/40/522940040.db2.gz ALHMXSWRIWJARW-QGZVFWFLSA-N 2 2 368.522 1.432 10 0 FDAELP CCOC(=O)[C@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCC([NH+]3CCCC3)CC2)C1 ZINC000066533790 523099173 /nfs/dbraw/zinc/09/91/73/523099173.db2.gz SCAWQANWPQHZTD-SJORKVTESA-N 2 2 365.518 1.737 10 0 FDAELP CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000052499793 523185188 /nfs/dbraw/zinc/18/51/88/523185188.db2.gz NRTUMOQPZVBKIZ-RTBURBONSA-N 2 2 360.502 1.671 10 0 FDAELP CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000052499793 523185193 /nfs/dbraw/zinc/18/51/93/523185193.db2.gz NRTUMOQPZVBKIZ-RTBURBONSA-N 2 2 360.502 1.671 10 0 FDAELP CC[NH+]1CCC[C@@H](NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000052499793 523185204 /nfs/dbraw/zinc/18/52/04/523185204.db2.gz NRTUMOQPZVBKIZ-RTBURBONSA-N 2 2 360.502 1.671 10 0 FDAELP CC[NH+]1CCC[C@@H](NC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000052499793 523185208 /nfs/dbraw/zinc/18/52/08/523185208.db2.gz NRTUMOQPZVBKIZ-RTBURBONSA-N 2 2 360.502 1.671 10 0 FDAELP C[C@H](CNC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1)[NH+]1CCOCC1 ZINC000068581194 523828282 /nfs/dbraw/zinc/82/82/82/523828282.db2.gz FEVWMHTUFZTVEF-MRXNPFEDSA-N 2 2 366.481 1.620 10 0 FDAELP Cc1c[nH+]ccc1NC(=O)N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000121535102 524286316 /nfs/dbraw/zinc/28/63/16/524286316.db2.gz OWDNISYSNBPHMV-QGZVFWFLSA-N 2 2 361.490 1.649 10 0 FDAELP Cc1c[nH+]ccc1NC(=O)N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000121535102 524286325 /nfs/dbraw/zinc/28/63/25/524286325.db2.gz OWDNISYSNBPHMV-QGZVFWFLSA-N 2 2 361.490 1.649 10 0 FDAELP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2nnnn2C(C)C)CC1 ZINC000151001118 524514718 /nfs/dbraw/zinc/51/47/18/524514718.db2.gz HMYBHWLGHMKAAZ-UHFFFAOYSA-N 2 2 365.526 1.314 10 0 FDAELP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2CCCN2c2cc(NC)[nH+]cn2)C1 ZINC000174234384 524531114 /nfs/dbraw/zinc/53/11/14/524531114.db2.gz MZNCTOKWFHEQAV-GJZGRUSLSA-N 2 2 361.494 1.271 10 0 FDAELP CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H]2CCCN2c2cc(NC)[nH+]cn2)C1 ZINC000174234384 524531127 /nfs/dbraw/zinc/53/11/27/524531127.db2.gz MZNCTOKWFHEQAV-GJZGRUSLSA-N 2 2 361.494 1.271 10 0 FDAELP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2CCCN2c2cc(NC)nc[nH+]2)C1 ZINC000174234384 524531141 /nfs/dbraw/zinc/53/11/41/524531141.db2.gz MZNCTOKWFHEQAV-GJZGRUSLSA-N 2 2 361.494 1.271 10 0 FDAELP CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H]2CCCN2c2cc(NC)nc[nH+]2)C1 ZINC000174234384 524531149 /nfs/dbraw/zinc/53/11/49/524531149.db2.gz MZNCTOKWFHEQAV-GJZGRUSLSA-N 2 2 361.494 1.271 10 0 FDAELP C[C@H](CNC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)[NH+]1CCOCC1 ZINC000114783401 524872363 /nfs/dbraw/zinc/87/23/63/524872363.db2.gz QLJFYRNFDQIBIW-IEBWSBKVSA-N 2 2 360.502 1.671 10 0 FDAELP C[C@H](CNC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)[NH+]1CCOCC1 ZINC000114783401 524872375 /nfs/dbraw/zinc/87/23/75/524872375.db2.gz QLJFYRNFDQIBIW-IEBWSBKVSA-N 2 2 360.502 1.671 10 0 FDAELP Cn1cc(C[N@@H+]2CCCN(C(=O)NCCCNc3cccc[nH+]3)CC2)cn1 ZINC000115800527 525065268 /nfs/dbraw/zinc/06/52/68/525065268.db2.gz COBSJZFDJGVFMF-UHFFFAOYSA-N 2 2 371.489 1.535 10 0 FDAELP Cn1cc(C[N@H+]2CCCN(C(=O)NCCCNc3cccc[nH+]3)CC2)cn1 ZINC000115800527 525065280 /nfs/dbraw/zinc/06/52/80/525065280.db2.gz COBSJZFDJGVFMF-UHFFFAOYSA-N 2 2 371.489 1.535 10 0 FDAELP COCC[N@@H+]1CCN(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C[C@H]1C ZINC000117498252 525351157 /nfs/dbraw/zinc/35/11/57/525351157.db2.gz XVLABELXIXPQSP-OAHLLOKOSA-N 2 2 366.481 1.749 10 0 FDAELP COCC[N@H+]1CCN(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C[C@H]1C ZINC000117498252 525351167 /nfs/dbraw/zinc/35/11/67/525351167.db2.gz XVLABELXIXPQSP-OAHLLOKOSA-N 2 2 366.481 1.749 10 0 FDAELP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000105279945 525487271 /nfs/dbraw/zinc/48/72/71/525487271.db2.gz LTZLLPGUNVUTBN-LJQANCHMSA-N 2 2 362.518 1.871 10 0 FDAELP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000105279945 525487273 /nfs/dbraw/zinc/48/72/73/525487273.db2.gz LTZLLPGUNVUTBN-LJQANCHMSA-N 2 2 362.518 1.871 10 0 FDAELP CC[NH+](CC)[C@H](CNC(=O)NC[C@H](C)[NH+]1CCOCC1)c1ccco1 ZINC000129098239 525614780 /nfs/dbraw/zinc/61/47/80/525614780.db2.gz YWNOKGGKQCAHJW-JKSUJKDBSA-N 2 2 352.479 1.682 10 0 FDAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](Cc3ccc(C(N)=O)cc3)CC2)C1 ZINC000106122408 525618960 /nfs/dbraw/zinc/61/89/60/525618960.db2.gz CJUPJDHBGUHNHN-LJQANCHMSA-N 2 2 360.502 1.012 10 0 FDAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](Cc3ccc(C(N)=O)cc3)CC2)C1 ZINC000106122408 525618970 /nfs/dbraw/zinc/61/89/70/525618970.db2.gz CJUPJDHBGUHNHN-LJQANCHMSA-N 2 2 360.502 1.012 10 0 FDAELP C[N@H+](CC(=O)NCC1CCCCC1)C1CC[NH+](CCn2cccn2)CC1 ZINC000106130412 525623563 /nfs/dbraw/zinc/62/35/63/525623563.db2.gz WLIMVGQXAJHLQX-UHFFFAOYSA-N 2 2 361.534 1.976 10 0 FDAELP C[N@@H+](CC(=O)NCC1CCCCC1)C1CC[NH+](CCn2cccn2)CC1 ZINC000106130412 525623572 /nfs/dbraw/zinc/62/35/72/525623572.db2.gz WLIMVGQXAJHLQX-UHFFFAOYSA-N 2 2 361.534 1.976 10 0 FDAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)N[C@@H](CC(C)C)C(=O)OC)C1 ZINC000106215713 525675664 /nfs/dbraw/zinc/67/56/64/525675664.db2.gz UQAFQGJJZODKNH-HOTGVXAUSA-N 2 2 364.490 1.786 10 0 FDAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)N[C@@H](CC(C)C)C(=O)OC)C1 ZINC000106215713 525675672 /nfs/dbraw/zinc/67/56/72/525675672.db2.gz UQAFQGJJZODKNH-HOTGVXAUSA-N 2 2 364.490 1.786 10 0 FDAELP O=C([C@H]1CCC[C@@H]1C(=O)N1CC[NH+](C2CC2)CC1)N1CC[NH+](C2CC2)CC1 ZINC000155087617 525739953 /nfs/dbraw/zinc/73/99/53/525739953.db2.gz BMRLMABSICTPCA-OALUTQOASA-N 2 2 374.529 1.016 10 0 FDAELP CC(C)[N@H+]1C[C@H](NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)[C@@H](C)C1 ZINC000119657805 525819518 /nfs/dbraw/zinc/81/95/18/525819518.db2.gz GAILWRTUXJAMST-LPHOPBHVSA-N 3 2 365.566 1.573 10 0 FDAELP CC(C)[N@@H+]1C[C@H](NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)[C@@H](C)C1 ZINC000119657805 525819524 /nfs/dbraw/zinc/81/95/24/525819524.db2.gz GAILWRTUXJAMST-LPHOPBHVSA-N 3 2 365.566 1.573 10 0 FDAELP C[C@H](NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182944166 535890899 /nfs/dbraw/zinc/89/08/99/535890899.db2.gz QCMKTFYALIGFEI-LNLFQRSKSA-N 2 2 364.534 1.756 10 0 FDAELP C[C@H](NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182944166 535890902 /nfs/dbraw/zinc/89/09/02/535890902.db2.gz QCMKTFYALIGFEI-LNLFQRSKSA-N 2 2 364.534 1.756 10 0 FDAELP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+][C@@H]2CCC[N@H+](CC)C2)CC1 ZINC000183439423 535982265 /nfs/dbraw/zinc/98/22/65/535982265.db2.gz FYFJCPIBWDHHES-DOTOQJQBSA-N 2 2 353.507 1.641 10 0 FDAELP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+][C@@H]2CCC[N@@H+](CC)C2)CC1 ZINC000183439423 535982271 /nfs/dbraw/zinc/98/22/71/535982271.db2.gz FYFJCPIBWDHHES-DOTOQJQBSA-N 2 2 353.507 1.641 10 0 FDAELP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+][C@H]2CCC[N@H+](CC)C2)CC1 ZINC000183439403 535982588 /nfs/dbraw/zinc/98/25/88/535982588.db2.gz FYFJCPIBWDHHES-RDJZCZTQSA-N 2 2 353.507 1.641 10 0 FDAELP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+][C@H]2CCC[N@@H+](CC)C2)CC1 ZINC000183439403 535982595 /nfs/dbraw/zinc/98/25/95/535982595.db2.gz FYFJCPIBWDHHES-RDJZCZTQSA-N 2 2 353.507 1.641 10 0 FDAELP CC[C@H]1CN(C(=O)NCCc2cn3ccccc3[nH+]2)CC[N@@H+]1C[C@@H](C)O ZINC000184779545 536182795 /nfs/dbraw/zinc/18/27/95/536182795.db2.gz UXXQHIHTYBGOSA-WBVHZDCISA-N 2 2 359.474 1.363 10 0 FDAELP CC[C@H]1CN(C(=O)NCCc2cn3ccccc3[nH+]2)CC[N@H+]1C[C@@H](C)O ZINC000184779545 536182797 /nfs/dbraw/zinc/18/27/97/536182797.db2.gz UXXQHIHTYBGOSA-WBVHZDCISA-N 2 2 359.474 1.363 10 0 FDAELP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000247072942 537078055 /nfs/dbraw/zinc/07/80/55/537078055.db2.gz HOSGHQHUTBQMNB-APWZRJJASA-N 3 2 363.550 1.423 10 0 FDAELP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000247072942 537078057 /nfs/dbraw/zinc/07/80/57/537078057.db2.gz HOSGHQHUTBQMNB-APWZRJJASA-N 3 2 363.550 1.423 10 0 FDAELP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000247154753 537088432 /nfs/dbraw/zinc/08/84/32/537088432.db2.gz QESLDXWUCAGVOG-FGTMMUONSA-N 2 2 366.550 1.859 10 0 FDAELP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000247154753 537088434 /nfs/dbraw/zinc/08/84/34/537088434.db2.gz QESLDXWUCAGVOG-FGTMMUONSA-N 2 2 366.550 1.859 10 0 FDAELP C[C@@H]([NH2+][C@@H](C)C(=O)N1CCC(C(N)=O)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189888921 537110876 /nfs/dbraw/zinc/11/08/76/537110876.db2.gz PZNHASWSNXZTML-CABCVRRESA-N 2 2 369.469 1.635 10 0 FDAELP CCC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000247608067 537140495 /nfs/dbraw/zinc/14/04/95/537140495.db2.gz LYGALYPJALRVKR-OTWHNJEPSA-N 2 2 368.566 1.407 10 0 FDAELP CCC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000247608067 537140499 /nfs/dbraw/zinc/14/04/99/537140499.db2.gz LYGALYPJALRVKR-OTWHNJEPSA-N 2 2 368.566 1.407 10 0 FDAELP C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)C[C@@H]1[NH+]1CCOCC1 ZINC000248130116 537167963 /nfs/dbraw/zinc/16/79/63/537167963.db2.gz WKAWWTLWNZKRDB-LMCOJAPRSA-N 2 2 372.513 1.794 10 0 FDAELP C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)C[C@@H]1[NH+]1CCOCC1 ZINC000248130116 537167965 /nfs/dbraw/zinc/16/79/65/537167965.db2.gz WKAWWTLWNZKRDB-LMCOJAPRSA-N 2 2 372.513 1.794 10 0 FDAELP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000249020962 537224989 /nfs/dbraw/zinc/22/49/89/537224989.db2.gz QOXDGUQITXQRBL-OALUTQOASA-N 2 2 362.518 1.773 10 0 FDAELP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000249020962 537224990 /nfs/dbraw/zinc/22/49/90/537224990.db2.gz QOXDGUQITXQRBL-OALUTQOASA-N 2 2 362.518 1.773 10 0 FDAELP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000249020962 537224993 /nfs/dbraw/zinc/22/49/93/537224993.db2.gz QOXDGUQITXQRBL-OALUTQOASA-N 2 2 362.518 1.773 10 0 FDAELP Cc1noc([C@@]23C[N@H+](CCO)C[C@@H]2CC[NH+](CCc2ccccc2)C3)n1 ZINC000257189407 537252743 /nfs/dbraw/zinc/25/27/43/537252743.db2.gz IMBFYMQSRGHXHI-ICSRJNTNSA-N 2 2 356.470 1.488 10 0 FDAELP Cc1noc([C@@]23C[N@@H+](CCO)C[C@@H]2CC[NH+](CCc2ccccc2)C3)n1 ZINC000257189407 537252745 /nfs/dbraw/zinc/25/27/45/537252745.db2.gz IMBFYMQSRGHXHI-ICSRJNTNSA-N 2 2 356.470 1.488 10 0 FDAELP Cc1noc([C@@]23C[NH+](CCO)C[C@@H]2CC[N@H+](CCc2ccccc2)C3)n1 ZINC000257189407 537252746 /nfs/dbraw/zinc/25/27/46/537252746.db2.gz IMBFYMQSRGHXHI-ICSRJNTNSA-N 2 2 356.470 1.488 10 0 FDAELP Cc1noc([C@@]23C[NH+](CCO)C[C@@H]2CC[N@@H+](CCc2ccccc2)C3)n1 ZINC000257189407 537252749 /nfs/dbraw/zinc/25/27/49/537252749.db2.gz IMBFYMQSRGHXHI-ICSRJNTNSA-N 2 2 356.470 1.488 10 0 FDAELP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195281162 537388943 /nfs/dbraw/zinc/38/89/43/537388943.db2.gz QZADKOROBZZGJC-GDBMZVCRSA-N 2 2 359.474 1.212 10 0 FDAELP C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195281162 537388949 /nfs/dbraw/zinc/38/89/49/537388949.db2.gz QZADKOROBZZGJC-GDBMZVCRSA-N 2 2 359.474 1.212 10 0 FDAELP C[C@H](C(=O)NC(=O)NC1CC1)[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195281162 537388956 /nfs/dbraw/zinc/38/89/56/537388956.db2.gz QZADKOROBZZGJC-GDBMZVCRSA-N 2 2 359.474 1.212 10 0 FDAELP C[C@H](C(=O)NC(=O)NC1CC1)[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195281162 537388961 /nfs/dbraw/zinc/38/89/61/537388961.db2.gz QZADKOROBZZGJC-GDBMZVCRSA-N 2 2 359.474 1.212 10 0 FDAELP COCC[N@@H+]1CCN(C(=O)[C@H]2CCC[NH+]2Cc2ccc(F)cc2)C[C@H]1C ZINC000245418039 537657169 /nfs/dbraw/zinc/65/71/69/537657169.db2.gz KOGJXEXEPQTLJJ-VQIMIIECSA-N 2 2 363.477 1.969 10 0 FDAELP COCC[N@H+]1CCN(C(=O)[C@H]2CCC[NH+]2Cc2ccc(F)cc2)C[C@H]1C ZINC000245418039 537657174 /nfs/dbraw/zinc/65/71/74/537657174.db2.gz KOGJXEXEPQTLJJ-VQIMIIECSA-N 2 2 363.477 1.969 10 0 FDAELP COCC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)C[C@H]1C ZINC000245418039 537657179 /nfs/dbraw/zinc/65/71/79/537657179.db2.gz KOGJXEXEPQTLJJ-VQIMIIECSA-N 2 2 363.477 1.969 10 0 FDAELP COCC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)C[C@H]1C ZINC000245418039 537657181 /nfs/dbraw/zinc/65/71/81/537657181.db2.gz KOGJXEXEPQTLJJ-VQIMIIECSA-N 2 2 363.477 1.969 10 0 FDAELP C[C@H]1C[N@H+](CC(=O)Nc2cccc(I)c2)C[C@@H]1C[NH3+] ZINC000601325296 553376422 /nfs/dbraw/zinc/37/64/22/553376422.db2.gz CDTQKFTUVHUHJE-QWRGUYRKSA-N 2 2 373.238 1.756 10 0 FDAELP C[C@H]1C[N@@H+](CC(=O)Nc2cccc(I)c2)C[C@@H]1C[NH3+] ZINC000601325296 553376423 /nfs/dbraw/zinc/37/64/23/553376423.db2.gz CDTQKFTUVHUHJE-QWRGUYRKSA-N 2 2 373.238 1.756 10 0 FDAELP CCCn1nnnc1CN(Cc1[nH+]ccn1CC)[C@H]1CC12CC[NH2+]CC2 ZINC000328608116 571324069 /nfs/dbraw/zinc/32/40/69/571324069.db2.gz YARHKQREWFCDSH-HNNXBMFYSA-N 2 2 358.494 1.444 10 0 FDAELP CN(C)S(=O)(=O)c1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000262046149 672717566 /nfs/dbraw/zinc/71/75/66/672717566.db2.gz ZDOUDJVXIOVRIY-BRWVUGGUSA-N 2 2 367.515 1.184 10 0 FDAELP CCOC1CC(CNC(=O)N[C@H]2CCC[N@H+](CC)C2)([NH+]2CCOCC2)C1 ZINC000192495748 178116466 /nfs/dbraw/zinc/11/64/66/178116466.db2.gz GHOMTAQXFZHGLF-MUYFXNHWSA-N 2 2 368.522 1.040 10 0 FDAELP CCOC1CC(CNC(=O)N[C@H]2CCC[N@@H+](CC)C2)([NH+]2CCOCC2)C1 ZINC000192495748 178116471 /nfs/dbraw/zinc/11/64/71/178116471.db2.gz GHOMTAQXFZHGLF-MUYFXNHWSA-N 2 2 368.522 1.040 10 0 FDAELP C[C@H](CNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCOCC1 ZINC000194012971 178193625 /nfs/dbraw/zinc/19/36/25/178193625.db2.gz JZASLHQTINJYPC-IEBWSBKVSA-N 2 2 360.502 1.528 10 0 FDAELP C[C@H](CNC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCOCC1 ZINC000194012971 178193628 /nfs/dbraw/zinc/19/36/28/178193628.db2.gz JZASLHQTINJYPC-IEBWSBKVSA-N 2 2 360.502 1.528 10 0 FDAELP [NH3+]C[C@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)Nc2cc[nH+]cc2)cc1 ZINC000237961679 178340348 /nfs/dbraw/zinc/34/03/48/178340348.db2.gz JEGPJNOBIGWKAZ-MRXNPFEDSA-N 2 2 374.466 1.836 10 0 FDAELP C[N@@H+]1CC[C@H](NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)[C@H]1c1ccccc1 ZINC000245645588 178373169 /nfs/dbraw/zinc/37/31/69/178373169.db2.gz LLHGZGDFKKFXRB-GBESFXJTSA-N 2 2 358.486 1.548 10 0 FDAELP C[N@H+]1CC[C@H](NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)[C@H]1c1ccccc1 ZINC000245645588 178373171 /nfs/dbraw/zinc/37/31/71/178373171.db2.gz LLHGZGDFKKFXRB-GBESFXJTSA-N 2 2 358.486 1.548 10 0 FDAELP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)Nc3ccccc3C(N)=O)C2)[nH+]1 ZINC000171650660 258266705 /nfs/dbraw/zinc/26/67/05/258266705.db2.gz RPYLBEYONAELEH-HNNXBMFYSA-N 2 2 367.453 1.861 10 0 FDAELP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)Nc3ccccc3C(N)=O)C2)[nH+]1 ZINC000171650660 258266706 /nfs/dbraw/zinc/26/67/06/258266706.db2.gz RPYLBEYONAELEH-HNNXBMFYSA-N 2 2 367.453 1.861 10 0 FDAELP O=C(C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)NC(=O)NCc1cccs1 ZINC000171644441 258267055 /nfs/dbraw/zinc/26/70/55/258267055.db2.gz BSMWFROMYGAMHI-CQSZACIVSA-N 2 2 373.482 1.903 10 0 FDAELP O=C(C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)NC(=O)NCc1cccs1 ZINC000171644441 258267056 /nfs/dbraw/zinc/26/70/56/258267056.db2.gz BSMWFROMYGAMHI-CQSZACIVSA-N 2 2 373.482 1.903 10 0 FDAELP Cc1ccc([C@H](CNC(=O)N2CC[N@H+]3CCC[C@@H]3C2)[NH+]2CCOCC2)cc1 ZINC000171903318 258269861 /nfs/dbraw/zinc/26/98/61/258269861.db2.gz WKONNBXMYWXPQI-UXHICEINSA-N 2 2 372.513 1.858 10 0 FDAELP Cc1ccc(N2CCC(NC(=O)N(C)CC[NH+]3CCOCC3)CC2)[nH+]c1 ZINC000074435659 172081402 /nfs/dbraw/zinc/08/14/02/172081402.db2.gz LRFWBTPXVQFYPN-UHFFFAOYSA-N 2 2 361.490 1.332 10 0 FDAELP C[C@H]1C[N@@H+](C2CCN(C(=O)NCCc3cn4ccccc4[nH+]3)CC2)CCO1 ZINC000079591630 172163860 /nfs/dbraw/zinc/16/38/60/172163860.db2.gz WWXIIYWBEITVRK-INIZCTEOSA-N 2 2 371.485 1.772 10 0 FDAELP C[C@H]1C[N@H+](C2CCN(C(=O)NCCc3cn4ccccc4[nH+]3)CC2)CCO1 ZINC000079591630 172163861 /nfs/dbraw/zinc/16/38/61/172163861.db2.gz WWXIIYWBEITVRK-INIZCTEOSA-N 2 2 371.485 1.772 10 0 FDAELP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@H](CNc4cccc[nH+]4)C3)cn2)CC1 ZINC000092812739 172305207 /nfs/dbraw/zinc/30/52/07/172305207.db2.gz HUVRZGVGXJUONO-QGZVFWFLSA-N 3 2 367.501 1.557 10 0 FDAELP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@H](CNc4cccc[nH+]4)C3)cn2)CC1 ZINC000092812739 172305208 /nfs/dbraw/zinc/30/52/08/172305208.db2.gz HUVRZGVGXJUONO-QGZVFWFLSA-N 3 2 367.501 1.557 10 0 FDAELP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@H](CNc4ccccn4)C3)cn2)CC1 ZINC000092812739 172305209 /nfs/dbraw/zinc/30/52/09/172305209.db2.gz HUVRZGVGXJUONO-QGZVFWFLSA-N 2 2 367.501 1.557 10 0 FDAELP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@H](CNc4ccccn4)C3)cn2)CC1 ZINC000092812739 172305211 /nfs/dbraw/zinc/30/52/11/172305211.db2.gz HUVRZGVGXJUONO-QGZVFWFLSA-N 2 2 367.501 1.557 10 0 FDAELP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)c1 ZINC000151303189 173397100 /nfs/dbraw/zinc/39/71/00/173397100.db2.gz GYPHIDFBGKQLNW-ZBFHGGJFSA-N 2 2 355.504 1.092 10 0 FDAELP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000176439460 174070596 /nfs/dbraw/zinc/07/05/96/174070596.db2.gz PDFAZMBATBRUMD-VQTJNVASSA-N 2 2 374.529 1.871 10 0 FDAELP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000176439460 174070600 /nfs/dbraw/zinc/07/06/00/174070600.db2.gz PDFAZMBATBRUMD-VQTJNVASSA-N 2 2 374.529 1.871 10 0 FDAELP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000176439460 174070602 /nfs/dbraw/zinc/07/06/02/174070602.db2.gz PDFAZMBATBRUMD-VQTJNVASSA-N 2 2 374.529 1.871 10 0 FDAELP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000173761921 258310087 /nfs/dbraw/zinc/31/00/87/258310087.db2.gz NOCBKIGLCPHIDO-QZTJIDSGSA-N 2 2 373.501 1.686 10 0 FDAELP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000173761921 258310088 /nfs/dbraw/zinc/31/00/88/258310088.db2.gz NOCBKIGLCPHIDO-QZTJIDSGSA-N 2 2 373.501 1.686 10 0 FDAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)C(=O)N2CCC(C)CC2)nc[nH+]1 ZINC000174286087 258323157 /nfs/dbraw/zinc/32/31/57/258323157.db2.gz SDUOGRIBJYVKLP-JKSUJKDBSA-N 2 2 360.506 1.724 10 0 FDAELP Cc1cc(N2CCC[C@H]([NH2+]Cc3c[nH+]c4ccc(C)cn34)C2=O)n(C)n1 ZINC000178916337 258339671 /nfs/dbraw/zinc/33/96/71/258339671.db2.gz SZPMLPHHWMRLGL-INIZCTEOSA-N 2 2 352.442 1.970 10 0 FDAELP Cc1ncsc1C[N@H+](C)C[C@H]1CCN(C(=O)NCCn2cc[nH+]c2)C1 ZINC000190676626 258390480 /nfs/dbraw/zinc/39/04/80/258390480.db2.gz LKQFIJGFNZDQGN-OAHLLOKOSA-N 2 2 362.503 1.812 10 0 FDAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(C(=O)NCCn2cc[nH+]c2)C1 ZINC000190676626 258390481 /nfs/dbraw/zinc/39/04/81/258390481.db2.gz LKQFIJGFNZDQGN-OAHLLOKOSA-N 2 2 362.503 1.812 10 0 FDAELP Cc1[nH]nc2nc(C)cc(C(=O)N3CC[N@@H+](C4CC[NH+](C)CC4)[C@H](C)C3)c12 ZINC000329089244 259076885 /nfs/dbraw/zinc/07/68/85/259076885.db2.gz IJZSKVOARJPSHR-CQSZACIVSA-N 2 2 370.501 1.815 10 0 FDAELP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000333722096 259374710 /nfs/dbraw/zinc/37/47/10/259374710.db2.gz IITWHGXRTWDHEM-QGZVFWFLSA-N 2 2 353.507 1.247 10 0 FDAELP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000333722096 259374711 /nfs/dbraw/zinc/37/47/11/259374711.db2.gz IITWHGXRTWDHEM-QGZVFWFLSA-N 2 2 353.507 1.247 10 0 FDAELP O=C(NCc1ccc(N2CCCC2)[nH+]c1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000049173413 522818022 /nfs/dbraw/zinc/81/80/22/522818022.db2.gz FFTSEZPXMYJPER-KRWDZBQOSA-N 2 2 361.490 1.328 10 0 FDAELP Cc1cccc2cc(C[NH+]3CCN(CCn4cc[nH+]c4)CC3)c(=O)[nH]c12 ZINC000067965016 523653189 /nfs/dbraw/zinc/65/31/89/523653189.db2.gz MLZKYIJFZSTXPV-UHFFFAOYSA-N 2 2 351.454 1.851 10 0 FDAELP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC[C@H]2C[N@H+](C)CCO2)cc1 ZINC000122138043 524460372 /nfs/dbraw/zinc/46/03/72/524460372.db2.gz APHMMVYDQBNECD-KDOFPFPSSA-N 2 2 357.458 1.872 10 0 FDAELP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000122138043 524460380 /nfs/dbraw/zinc/46/03/80/524460380.db2.gz APHMMVYDQBNECD-KDOFPFPSSA-N 2 2 357.458 1.872 10 0 FDAELP CCn1c(C)nnc1C[NH+]1CCC(C(=O)NCCC[NH+](CC)CC)CC1 ZINC000150993947 524512959 /nfs/dbraw/zinc/51/29/59/524512959.db2.gz PIWMSKURPSKCOV-UHFFFAOYSA-N 2 2 364.538 1.667 10 0 FDAELP CC[N@H+](CCNC(=O)NC[C@H]1CCCN1c1cc(NC)[nH+]cn1)C1CC1 ZINC000174577286 524634619 /nfs/dbraw/zinc/63/46/19/524634619.db2.gz FPJCSVRXMIDQGT-OAHLLOKOSA-N 2 2 361.494 1.271 10 0 FDAELP CC[N@@H+](CCNC(=O)NC[C@H]1CCCN1c1cc(NC)[nH+]cn1)C1CC1 ZINC000174577286 524634625 /nfs/dbraw/zinc/63/46/25/524634625.db2.gz FPJCSVRXMIDQGT-OAHLLOKOSA-N 2 2 361.494 1.271 10 0 FDAELP CC[N@H+](CCNC(=O)NC[C@H]1CCCN1c1cc(NC)nc[nH+]1)C1CC1 ZINC000174577286 524634634 /nfs/dbraw/zinc/63/46/34/524634634.db2.gz FPJCSVRXMIDQGT-OAHLLOKOSA-N 2 2 361.494 1.271 10 0 FDAELP CC[N@@H+](CCNC(=O)NC[C@H]1CCCN1c1cc(NC)nc[nH+]1)C1CC1 ZINC000174577286 524634643 /nfs/dbraw/zinc/63/46/43/524634643.db2.gz FPJCSVRXMIDQGT-OAHLLOKOSA-N 2 2 361.494 1.271 10 0 FDAELP Cc1cccc(N2CC[NH+](CCC(=O)NC[C@@H](C)[NH+]3CCOCC3)CC2)c1 ZINC000174590972 524640258 /nfs/dbraw/zinc/64/02/58/524640258.db2.gz KRDQFSYZFPYFJO-LJQANCHMSA-N 2 2 374.529 1.344 10 0 FDAELP CC[C@@H]1CN(C(=O)NCCCCn2cc[nH+]c2C)CC[N@@H+]1CCOC ZINC000175460305 524965741 /nfs/dbraw/zinc/96/57/41/524965741.db2.gz SKNLYDLDEUZABS-QGZVFWFLSA-N 2 2 351.495 1.724 10 0 FDAELP CC[C@@H]1CN(C(=O)NCCCCn2cc[nH+]c2C)CC[N@H+]1CCOC ZINC000175460305 524965750 /nfs/dbraw/zinc/96/57/50/524965750.db2.gz SKNLYDLDEUZABS-QGZVFWFLSA-N 2 2 351.495 1.724 10 0 FDAELP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000115387891 524983867 /nfs/dbraw/zinc/98/38/67/524983867.db2.gz YIGIVNOSNIXGQI-FQEVSTJZSA-N 2 2 369.513 1.984 10 0 FDAELP CC(C)OCC[NH+]1CCC(Nc2cc(N3CCC[C@@H]3CO)[nH+]cn2)CC1 ZINC000176740021 525170448 /nfs/dbraw/zinc/17/04/48/525170448.db2.gz JCABCLBYULKSEY-QGZVFWFLSA-N 2 2 363.506 1.739 10 0 FDAELP CC(C)OCC[NH+]1CCC(Nc2cc(N3CCC[C@@H]3CO)nc[nH+]2)CC1 ZINC000176740021 525170458 /nfs/dbraw/zinc/17/04/58/525170458.db2.gz JCABCLBYULKSEY-QGZVFWFLSA-N 2 2 363.506 1.739 10 0 FDAELP COCC[N@@H+]1CCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)C[C@@H]1C ZINC000117484598 525348275 /nfs/dbraw/zinc/34/82/75/525348275.db2.gz MAWDBJICJVXQOE-INIZCTEOSA-N 2 2 357.458 1.734 10 0 FDAELP COCC[N@H+]1CCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)C[C@@H]1C ZINC000117484598 525348281 /nfs/dbraw/zinc/34/82/81/525348281.db2.gz MAWDBJICJVXQOE-INIZCTEOSA-N 2 2 357.458 1.734 10 0 FDAELP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC[N@@H+]4CCCC[C@H]4C3)CC2)CC1 ZINC000105211155 525475342 /nfs/dbraw/zinc/47/53/42/525475342.db2.gz VNYHTFLZZGXXRB-IBGZPJMESA-N 3 2 363.550 1.425 10 0 FDAELP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC[N@H+]4CCCC[C@H]4C3)CC2)CC1 ZINC000105211155 525475350 /nfs/dbraw/zinc/47/53/50/525475350.db2.gz VNYHTFLZZGXXRB-IBGZPJMESA-N 3 2 363.550 1.425 10 0 FDAELP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000105279717 525486503 /nfs/dbraw/zinc/48/65/03/525486503.db2.gz FTIIYFXWQGHFPV-QGZVFWFLSA-N 2 2 368.909 1.744 10 0 FDAELP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000105279717 525486514 /nfs/dbraw/zinc/48/65/14/525486514.db2.gz FTIIYFXWQGHFPV-QGZVFWFLSA-N 2 2 368.909 1.744 10 0 FDAELP Cc1ccc(NC(=O)NC[C@@H](C)[NH+]2CCOCC2)c(OCC[NH+](C)C)c1 ZINC000154580513 525580441 /nfs/dbraw/zinc/58/04/41/525580441.db2.gz XFCSTOPQWZURPL-MRXNPFEDSA-N 2 2 364.490 1.778 10 0 FDAELP Cc1cccc([C@H](CNC(=O)N2CC[C@H]([NH+](C)C)C2)[NH+]2CCOCC2)c1 ZINC000170829495 525726112 /nfs/dbraw/zinc/72/61/12/525726112.db2.gz FXLDETIQQXIKSQ-OALUTQOASA-N 2 2 360.502 1.714 10 0 FDAELP O=C(NCCn1cc[nH+]c1)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000276282092 526474470 /nfs/dbraw/zinc/47/44/70/526474470.db2.gz NBELOTTWMQXQNQ-INIZCTEOSA-N 2 2 370.457 1.741 10 0 FDAELP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)cn1 ZINC000185578634 536212683 /nfs/dbraw/zinc/21/26/83/536212683.db2.gz IVRJEXDHTMKBBY-HUUCEWRRSA-N 2 2 372.473 1.172 10 0 FDAELP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)cn1 ZINC000185578634 536212684 /nfs/dbraw/zinc/21/26/84/536212684.db2.gz IVRJEXDHTMKBBY-HUUCEWRRSA-N 2 2 372.473 1.172 10 0 FDAELP CCO[C@@H]1C[C@@H]([NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)C12CCOCC2 ZINC000186238512 536229674 /nfs/dbraw/zinc/22/96/74/536229674.db2.gz NKUDPFYNVFLJFW-PWRODBHTSA-N 2 2 374.525 1.969 10 0 FDAELP CCO[C@@H]1C[C@@H]([NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)C12CCOCC2 ZINC000186238512 536229675 /nfs/dbraw/zinc/22/96/75/536229675.db2.gz NKUDPFYNVFLJFW-PWRODBHTSA-N 2 2 374.525 1.969 10 0 FDAELP COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000246381576 536941377 /nfs/dbraw/zinc/94/13/77/536941377.db2.gz NOADQEUMUQUWLE-NXHRZFHOSA-N 2 2 365.518 1.782 10 0 FDAELP COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000246381576 536941380 /nfs/dbraw/zinc/94/13/80/536941380.db2.gz NOADQEUMUQUWLE-NXHRZFHOSA-N 2 2 365.518 1.782 10 0 FDAELP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000247131394 537086020 /nfs/dbraw/zinc/08/60/20/537086020.db2.gz JLRGVGPZTMSOHT-RDJZCZTQSA-N 2 2 359.474 1.296 10 0 FDAELP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000247131394 537086023 /nfs/dbraw/zinc/08/60/23/537086023.db2.gz JLRGVGPZTMSOHT-RDJZCZTQSA-N 2 2 359.474 1.296 10 0 FDAELP CC[C@@H]1CN(C(=O)NC[C@H](C)Cn2cc[nH+]c2C)CC[N@@H+]1CCOC ZINC000247186592 537091746 /nfs/dbraw/zinc/09/17/46/537091746.db2.gz SDEYPMRDKAXGFU-DOTOQJQBSA-N 2 2 351.495 1.580 10 0 FDAELP CC[C@@H]1CN(C(=O)NC[C@H](C)Cn2cc[nH+]c2C)CC[N@H+]1CCOC ZINC000247186592 537091749 /nfs/dbraw/zinc/09/17/49/537091749.db2.gz SDEYPMRDKAXGFU-DOTOQJQBSA-N 2 2 351.495 1.580 10 0 FDAELP CCC(CC)[C@H](C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1)[NH+]1CCOCC1 ZINC000247198014 537093123 /nfs/dbraw/zinc/09/31/23/537093123.db2.gz UBEPJJVXJVLFOV-NZSAHSFTSA-N 2 2 367.534 1.303 10 0 FDAELP CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)C1 ZINC000247319341 537106989 /nfs/dbraw/zinc/10/69/89/537106989.db2.gz HWTDNESAVMTLFJ-DLBZAZTESA-N 2 2 374.485 1.617 10 0 FDAELP CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)C1 ZINC000247319341 537106990 /nfs/dbraw/zinc/10/69/90/537106990.db2.gz HWTDNESAVMTLFJ-DLBZAZTESA-N 2 2 374.485 1.617 10 0 FDAELP COCCN1CC[N@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C[C@@H]1C ZINC000247601369 537139580 /nfs/dbraw/zinc/13/95/80/537139580.db2.gz KZOPVMLFQGRRRU-ZWKOTPCHSA-N 2 2 360.502 1.667 10 0 FDAELP COCCN1CC[N@@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C[C@@H]1C ZINC000247601369 537139584 /nfs/dbraw/zinc/13/95/84/537139584.db2.gz KZOPVMLFQGRRRU-ZWKOTPCHSA-N 2 2 360.502 1.667 10 0 FDAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](C[C@@H](O)c3ccc(F)cc3)CC2)C1 ZINC000247881712 537156510 /nfs/dbraw/zinc/15/65/10/537156510.db2.gz ZKSLCDSLDCHJPA-WOJBJXKFSA-N 2 2 365.493 1.586 10 0 FDAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](C[C@@H](O)c3ccc(F)cc3)CC2)C1 ZINC000247881712 537156513 /nfs/dbraw/zinc/15/65/13/537156513.db2.gz ZKSLCDSLDCHJPA-WOJBJXKFSA-N 2 2 365.493 1.586 10 0 FDAELP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)C12CCOCC2 ZINC000249003004 537224665 /nfs/dbraw/zinc/22/46/65/537224665.db2.gz NKUDPFYNVFLJFW-NJDAHSKKSA-N 2 2 374.525 1.969 10 0 FDAELP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)C12CCOCC2 ZINC000249003004 537224667 /nfs/dbraw/zinc/22/46/67/537224667.db2.gz NKUDPFYNVFLJFW-NJDAHSKKSA-N 2 2 374.525 1.969 10 0 FDAELP C[C@@H](CNC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)[NH+]1CCOCC1 ZINC000193095954 537239750 /nfs/dbraw/zinc/23/97/50/537239750.db2.gz BQAKXLNBMSSRGW-WMLDXEAASA-N 2 2 368.909 1.963 10 0 FDAELP COc1cccc(Nc2ncnn3ccc(C[N@@H+]4CC[C@H]([NH3+])[C@@H](O)C4)c23)c1 ZINC000115584461 571145187 /nfs/dbraw/zinc/14/51/87/571145187.db2.gz CSGQVNMSRKWUSH-IRXDYDNUSA-N 2 2 368.441 1.375 10 0 FDAELP COc1cccc(Nc2ncnn3ccc(C[N@H+]4CC[C@H]([NH3+])[C@@H](O)C4)c23)c1 ZINC000115584461 571145190 /nfs/dbraw/zinc/14/51/90/571145190.db2.gz CSGQVNMSRKWUSH-IRXDYDNUSA-N 2 2 368.441 1.375 10 0 FDAELP [NH3+]C1(C(=O)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)CCOCC1 ZINC000261768034 672668548 /nfs/dbraw/zinc/66/85/48/672668548.db2.gz GNCGWOBTEDNKEA-UHFFFAOYSA-N 2 2 367.877 1.371 10 0 FDAELP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[N@H+](C)C[C@H]2CCC[NH2+]C2)cc[nH+]1 ZINC000261814294 672676638 /nfs/dbraw/zinc/67/66/38/672676638.db2.gz QBVTYBWDHZGHOV-JYJNAYRXSA-N 3 2 350.486 1.391 10 0 FDAELP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[N@@H+](C)C[C@H]2CCC[NH2+]C2)cc[nH+]1 ZINC000261814294 672676640 /nfs/dbraw/zinc/67/66/40/672676640.db2.gz QBVTYBWDHZGHOV-JYJNAYRXSA-N 3 2 350.486 1.391 10 0 FDAELP CC(C)(C)c1csc([C@@H]2C[N@H+](CCC(=O)N3CC[NH2+]CC3)CCO2)n1 ZINC000262086395 672723152 /nfs/dbraw/zinc/72/31/52/672723152.db2.gz LDKIVDWSWNFCAY-AWEZNQCLSA-N 2 2 366.531 1.636 10 0 FDAELP CC(C)(C)c1csc([C@@H]2C[N@@H+](CCC(=O)N3CC[NH2+]CC3)CCO2)n1 ZINC000262086395 672723158 /nfs/dbraw/zinc/72/31/58/672723158.db2.gz LDKIVDWSWNFCAY-AWEZNQCLSA-N 2 2 366.531 1.636 10 0 FDAELP C[NH+]1CCN(Nc2[nH+]cnc(NC3CC(C)(C)[NH2+]C(C)(C)C3)c2N)CC1 ZINC000040756851 205080178 /nfs/dbraw/zinc/08/01/78/205080178.db2.gz SITSKSGCTLUTHS-UHFFFAOYSA-N 3 2 362.526 1.354 10 0 FDAELP C[NH+]1CCN(Nc2[nH+]cnc(Nc3nc4ccccc4s3)c2N)CC1 ZINC000040756853 205080405 /nfs/dbraw/zinc/08/04/05/205080405.db2.gz FSAHNUNCCPFTFZ-UHFFFAOYSA-N 2 2 356.459 1.986 10 0 FDAELP CC(C)[C@@H](C(=O)N1CC[C@H]([NH+]2CCOCC2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000172764224 258284310 /nfs/dbraw/zinc/28/43/10/258284310.db2.gz CDUZIFUOEJMOGA-MHORFTMASA-N 2 2 353.507 1.053 10 0 FDAELP CC(C)[C@@H](C(=O)N1CC[C@H]([NH+]2CCOCC2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000172764224 258284311 /nfs/dbraw/zinc/28/43/11/258284311.db2.gz CDUZIFUOEJMOGA-MHORFTMASA-N 2 2 353.507 1.053 10 0 FDAELP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000173345706 258296985 /nfs/dbraw/zinc/29/69/85/258296985.db2.gz RCRPVVQBBYGJRK-NVXWUHKLSA-N 2 2 369.531 1.434 10 0 FDAELP C[C@H](NC(=O)NCCC[NH+]1CCOCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000073426090 172061772 /nfs/dbraw/zinc/06/17/72/172061772.db2.gz METDTKKJOUUWSC-INIZCTEOSA-N 2 2 357.458 1.955 10 0 FDAELP C[C@H]1C[N@@H+](C2CC[NH+](CCC(=O)NC(=O)Nc3ccccc3)CC2)CCO1 ZINC000079490715 172163367 /nfs/dbraw/zinc/16/33/67/172163367.db2.gz KQNIYLJXRUGDRK-INIZCTEOSA-N 2 2 374.485 1.910 10 0 FDAELP C[C@H]1C[N@H+](C2CC[NH+](CCC(=O)NC(=O)Nc3ccccc3)CC2)CCO1 ZINC000079490715 172163368 /nfs/dbraw/zinc/16/33/68/172163368.db2.gz KQNIYLJXRUGDRK-INIZCTEOSA-N 2 2 374.485 1.910 10 0 FDAELP CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000088754611 172236681 /nfs/dbraw/zinc/23/66/81/172236681.db2.gz JPPAPDCVVRLKOE-HNNXBMFYSA-N 2 2 363.510 1.001 10 0 FDAELP C[C@@H]1C[C@@H](NC(=O)N2CC[NH+](C[C@H](O)c3ccccc3)CC2)C[N@@H+]1C1CC1 ZINC000130400318 173168984 /nfs/dbraw/zinc/16/89/84/173168984.db2.gz UFRUPDXFQAQIOI-POAQFYNOSA-N 2 2 372.513 1.672 10 0 FDAELP C[C@@H]1C[C@@H](NC(=O)N2CC[NH+](C[C@H](O)c3ccccc3)CC2)C[N@H+]1C1CC1 ZINC000130400318 173168986 /nfs/dbraw/zinc/16/89/86/173168986.db2.gz UFRUPDXFQAQIOI-POAQFYNOSA-N 2 2 372.513 1.672 10 0 FDAELP C[C@H]1CN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)C[C@@H]1[NH+]1CCOCC1 ZINC000175679235 174019235 /nfs/dbraw/zinc/01/92/35/174019235.db2.gz VYAOESZPLDNETJ-WMZOPIPTSA-N 2 2 373.501 1.413 10 0 FDAELP C[C@H]1CN(C(=O)NCc2ccccc2-n2cc[nH+]c2)C[C@@H]1[NH+]1CCOCC1 ZINC000175715089 174022008 /nfs/dbraw/zinc/02/20/08/174022008.db2.gz ATNVCLOBPKZJAI-LPHOPBHVSA-N 2 2 369.469 1.734 10 0 FDAELP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2 ZINC000177973368 174166510 /nfs/dbraw/zinc/16/65/10/174166510.db2.gz WNEBLNRVAFCSFY-GOSISDBHSA-N 2 2 367.453 1.767 10 0 FDAELP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000177973368 174166511 /nfs/dbraw/zinc/16/65/11/174166511.db2.gz WNEBLNRVAFCSFY-GOSISDBHSA-N 2 2 367.453 1.767 10 0 FDAELP C[C@@H](CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000173770147 258310317 /nfs/dbraw/zinc/31/03/17/258310317.db2.gz DHJHKYHTYSZYRS-FXAWDEMLSA-N 2 2 372.513 1.549 10 0 FDAELP C[C@@H](CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)[N@H+]1CCc2ccccc2C1 ZINC000173770147 258310318 /nfs/dbraw/zinc/31/03/18/258310318.db2.gz DHJHKYHTYSZYRS-FXAWDEMLSA-N 2 2 372.513 1.549 10 0 FDAELP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173885740 258313951 /nfs/dbraw/zinc/31/39/51/258313951.db2.gz QESBVRXJTXFIRG-PMACEKPBSA-N 2 2 372.513 1.767 10 0 FDAELP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173885740 258313952 /nfs/dbraw/zinc/31/39/52/258313952.db2.gz QESBVRXJTXFIRG-PMACEKPBSA-N 2 2 372.513 1.767 10 0 FDAELP C[C@H](C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000173957379 258315594 /nfs/dbraw/zinc/31/55/94/258315594.db2.gz DLJRCOMDYBCQER-HLIPFELVSA-N 2 2 357.498 1.612 10 0 FDAELP C[C@H](C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1)[N@H+]1CCc2ccccc2C1 ZINC000173957379 258315595 /nfs/dbraw/zinc/31/55/95/258315595.db2.gz DLJRCOMDYBCQER-HLIPFELVSA-N 2 2 357.498 1.612 10 0 FDAELP C[C@H](C(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1)[NH+]1CCSCC1 ZINC000179168656 258345192 /nfs/dbraw/zinc/34/51/92/258345192.db2.gz LEIKNIGOZSWPIM-AEFFLSMTSA-N 2 2 363.527 1.302 10 0 FDAELP C[C@H](C(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1)[NH+]1CCSCC1 ZINC000179168685 258345219 /nfs/dbraw/zinc/34/52/19/258345219.db2.gz LEIKNIGOZSWPIM-SJLPKXTDSA-N 2 2 363.527 1.302 10 0 FDAELP CNc1cc(N2CCC[C@H]2CNC(=O)c2c[nH+]ccc2N(C)C)nc[nH+]1 ZINC000183813441 258380618 /nfs/dbraw/zinc/38/06/18/258380618.db2.gz JNWIGYGQTVGBEE-ZDUSSCGKSA-N 2 2 355.446 1.378 10 0 FDAELP CNc1cc(N2CCC[C@H]2CNC(=O)c2c[nH+]ccc2N(C)C)[nH+]cn1 ZINC000183813441 258380619 /nfs/dbraw/zinc/38/06/19/258380619.db2.gz JNWIGYGQTVGBEE-ZDUSSCGKSA-N 2 2 355.446 1.378 10 0 FDAELP C[C@H]1C[N@@H+](C2CCN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)CC2)CCO1 ZINC000329092537 259077235 /nfs/dbraw/zinc/07/72/35/259077235.db2.gz AEYBIUOAMKNQMQ-HNNXBMFYSA-N 2 2 355.442 1.593 10 0 FDAELP C[C@H]1C[N@H+](C2CCN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)CC2)CCO1 ZINC000329092537 259077236 /nfs/dbraw/zinc/07/72/36/259077236.db2.gz AEYBIUOAMKNQMQ-HNNXBMFYSA-N 2 2 355.442 1.593 10 0 FDAELP O=C([C@@H]1CC[N@@H+]1Cc1ccccc1)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000333711521 259373053 /nfs/dbraw/zinc/37/30/53/259373053.db2.gz GLVTYWXJGMPUTG-OALUTQOASA-N 2 2 370.497 1.074 10 0 FDAELP O=C([C@@H]1CC[N@H+]1Cc1ccccc1)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000333711521 259373055 /nfs/dbraw/zinc/37/30/55/259373055.db2.gz GLVTYWXJGMPUTG-OALUTQOASA-N 2 2 370.497 1.074 10 0 FDAELP Cc1ccccc1C[NH+]1CCN(C(=O)NC[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000046264691 522265396 /nfs/dbraw/zinc/26/53/96/522265396.db2.gz RNWQFGLVZHUEMU-GOSISDBHSA-N 2 2 360.502 1.543 10 0 FDAELP CC[N@@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000051777734 523073121 /nfs/dbraw/zinc/07/31/21/523073121.db2.gz ABLUJDCYFMWMBN-QGZVFWFLSA-N 3 2 351.539 1.329 10 0 FDAELP CC[N@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000051777734 523073129 /nfs/dbraw/zinc/07/31/29/523073129.db2.gz ABLUJDCYFMWMBN-QGZVFWFLSA-N 3 2 351.539 1.329 10 0 FDAELP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000173616024 524422787 /nfs/dbraw/zinc/42/27/87/524422787.db2.gz MHZWAJRQGGNAIF-GOSISDBHSA-N 2 2 361.534 1.946 10 0 FDAELP C[N@@H+]1CCO[C@@H](CNC(=O)NCC2([NH+]3CCSCC3)CCCCC2)C1 ZINC000112215802 524428439 /nfs/dbraw/zinc/42/84/39/524428439.db2.gz PZGWNOZGJVUBGA-INIZCTEOSA-N 2 2 370.563 1.368 10 0 FDAELP C[N@H+]1CCO[C@@H](CNC(=O)NCC2([NH+]3CCSCC3)CCCCC2)C1 ZINC000112215802 524428451 /nfs/dbraw/zinc/42/84/51/524428451.db2.gz PZGWNOZGJVUBGA-INIZCTEOSA-N 2 2 370.563 1.368 10 0 FDAELP CCCC[N@H+](C)CC1CCN(C(=O)NC[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000122110543 524454199 /nfs/dbraw/zinc/45/41/99/524454199.db2.gz XGFTUDNPOKLGFA-QGZVFWFLSA-N 2 2 354.539 1.861 10 0 FDAELP CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000122110543 524454211 /nfs/dbraw/zinc/45/42/11/524454211.db2.gz XGFTUDNPOKLGFA-QGZVFWFLSA-N 2 2 354.539 1.861 10 0 FDAELP CCC(CC)[C@H](C(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1)[NH+]1CCOCC1 ZINC000174348367 524546205 /nfs/dbraw/zinc/54/62/05/524546205.db2.gz CNUNWPMHTYBFLV-JFIYKMOQSA-N 2 2 355.523 1.037 10 0 FDAELP CCC(CC)[C@H](C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1)[NH+]1CCOCC1 ZINC000174348367 524546216 /nfs/dbraw/zinc/54/62/16/524546216.db2.gz CNUNWPMHTYBFLV-JFIYKMOQSA-N 2 2 355.523 1.037 10 0 FDAELP C[C@H](CCNC(=O)NC[C@H](C)[NH+]1CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000175273240 524924807 /nfs/dbraw/zinc/92/48/07/524924807.db2.gz MAORBWYWBIYTRT-MSOLQXFVSA-N 2 2 362.518 1.917 10 0 FDAELP C[C@H](CCNC(=O)NC[C@H](C)[NH+]1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000175273240 524924817 /nfs/dbraw/zinc/92/48/17/524924817.db2.gz MAORBWYWBIYTRT-MSOLQXFVSA-N 2 2 362.518 1.917 10 0 FDAELP C[C@@H](CNC(=O)NCc1ccccc1OCC[NH+](C)C)[NH+]1CCOCC1 ZINC000125305194 525188994 /nfs/dbraw/zinc/18/89/94/525188994.db2.gz HGKONVKVIHWHKD-INIZCTEOSA-N 2 2 364.490 1.147 10 0 FDAELP NC(=O)C[NH+]1CCC(C(=O)N[C@@H](CCn2cc[nH+]c2)c2ccccc2)CC1 ZINC000097679927 525190405 /nfs/dbraw/zinc/19/04/05/525190405.db2.gz ZRJLLMYJMNZYBE-SFHVURJKSA-N 2 2 369.469 1.328 10 0 FDAELP CCOCC[N@@H+]1CCN(C(=O)NC[C@@H](C)Cn2cc[nH+]c2C)C[C@H]1CC ZINC000117041763 525275338 /nfs/dbraw/zinc/27/53/38/525275338.db2.gz SDFXZKJVCNBPEH-SJLPKXTDSA-N 2 2 365.522 1.970 10 0 FDAELP CCOCC[N@H+]1CCN(C(=O)NC[C@@H](C)Cn2cc[nH+]c2C)C[C@H]1CC ZINC000117041763 525275348 /nfs/dbraw/zinc/27/53/48/525275348.db2.gz SDFXZKJVCNBPEH-SJLPKXTDSA-N 2 2 365.522 1.970 10 0 FDAELP C[C@@H](CNC(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1)[N@H+](C)C1CC1 ZINC000117045891 525276790 /nfs/dbraw/zinc/27/67/90/525276790.db2.gz SYXFMCBPOOZJOZ-LPHOPBHVSA-N 2 2 360.502 1.530 10 0 FDAELP C[C@@H](CNC(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1)[N@@H+](C)C1CC1 ZINC000117045891 525276794 /nfs/dbraw/zinc/27/67/94/525276794.db2.gz SYXFMCBPOOZJOZ-LPHOPBHVSA-N 2 2 360.502 1.530 10 0 FDAELP CC[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)CC[N@@H+]1CCOC ZINC000117526860 525362583 /nfs/dbraw/zinc/36/25/83/525362583.db2.gz WLTISXMKHKHLCU-GOSISDBHSA-N 2 2 374.485 1.140 10 0 FDAELP CC[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)CC[N@H+]1CCOC ZINC000117526860 525362588 /nfs/dbraw/zinc/36/25/88/525362588.db2.gz WLTISXMKHKHLCU-GOSISDBHSA-N 2 2 374.485 1.140 10 0 FDAELP CC[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)CC[NH+]1CCOC ZINC000117526860 525362593 /nfs/dbraw/zinc/36/25/93/525362593.db2.gz WLTISXMKHKHLCU-GOSISDBHSA-N 2 2 374.485 1.140 10 0 FDAELP CC[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)CC[NH+]1CCOC ZINC000117526860 525362601 /nfs/dbraw/zinc/36/26/01/525362601.db2.gz WLTISXMKHKHLCU-GOSISDBHSA-N 2 2 374.485 1.140 10 0 FDAELP CC(C)CCNC(=O)[C@H](C)[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000106121706 525611467 /nfs/dbraw/zinc/61/14/67/525611467.db2.gz FDANYMNWOLNUJB-RBUKOAKNSA-N 2 2 368.566 1.264 10 0 FDAELP CC(C)CCNC(=O)[C@H](C)[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000106121706 525611471 /nfs/dbraw/zinc/61/14/71/525611471.db2.gz FDANYMNWOLNUJB-RBUKOAKNSA-N 2 2 368.566 1.264 10 0 FDAELP C[N@H+](CC(=O)NCc1ccc(F)cc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000106131123 525624872 /nfs/dbraw/zinc/62/48/72/525624872.db2.gz IDTMWLYBPGDGOK-UHFFFAOYSA-N 2 2 373.476 1.735 10 0 FDAELP C[N@@H+](CC(=O)NCc1ccc(F)cc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000106131123 525624876 /nfs/dbraw/zinc/62/48/76/525624876.db2.gz IDTMWLYBPGDGOK-UHFFFAOYSA-N 2 2 373.476 1.735 10 0 FDAELP CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NC[C@H]3C[NH+](C)CCO3)c2C1 ZINC000170683347 525678636 /nfs/dbraw/zinc/67/86/36/525678636.db2.gz IMTOQMNZYLSXKX-HNNXBMFYSA-N 2 2 368.481 1.673 10 0 FDAELP CC[N@H+]1CCc2nc3ccccc3c(C(=O)NC[C@H]3C[NH+](C)CCO3)c2C1 ZINC000170683347 525678641 /nfs/dbraw/zinc/67/86/41/525678641.db2.gz IMTOQMNZYLSXKX-HNNXBMFYSA-N 2 2 368.481 1.673 10 0 FDAELP CC[NH+]1CCc2nc3ccccc3c(C(=O)NC[C@H]3C[N@H+](C)CCO3)c2C1 ZINC000170683347 525678651 /nfs/dbraw/zinc/67/86/51/525678651.db2.gz IMTOQMNZYLSXKX-HNNXBMFYSA-N 2 2 368.481 1.673 10 0 FDAELP CC[NH+]1CCc2nc3ccccc3c(C(=O)NC[C@H]3C[N@@H+](C)CCO3)c2C1 ZINC000170683347 525678659 /nfs/dbraw/zinc/67/86/59/525678659.db2.gz IMTOQMNZYLSXKX-HNNXBMFYSA-N 2 2 368.481 1.673 10 0 FDAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000119288350 525697445 /nfs/dbraw/zinc/69/74/45/525697445.db2.gz XZEJHUPZEZWDSZ-HNNXBMFYSA-N 2 2 359.474 1.947 10 0 FDAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000119288350 525697456 /nfs/dbraw/zinc/69/74/56/525697456.db2.gz XZEJHUPZEZWDSZ-HNNXBMFYSA-N 2 2 359.474 1.947 10 0 FDAELP C[C@@H](CNC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1)[NH+]1CCOCC1 ZINC000154969509 525698379 /nfs/dbraw/zinc/69/83/79/525698379.db2.gz PBZBYKIYZCMYAF-HKUYNNGSSA-N 2 2 361.486 1.114 10 0 FDAELP C[C@@H](CNC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)[NH+]1CCOCC1 ZINC000154969509 525698388 /nfs/dbraw/zinc/69/83/88/525698388.db2.gz PBZBYKIYZCMYAF-HKUYNNGSSA-N 2 2 361.486 1.114 10 0 FDAELP C[C@@H](CNC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)[NH+]1CCOCC1 ZINC000154969365 525698905 /nfs/dbraw/zinc/69/89/05/525698905.db2.gz PBZBYKIYZCMYAF-PKOBYXMFSA-N 2 2 361.486 1.114 10 0 FDAELP C[C@@H](CNC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[NH+]1CCOCC1 ZINC000154969365 525698913 /nfs/dbraw/zinc/69/89/13/525698913.db2.gz PBZBYKIYZCMYAF-PKOBYXMFSA-N 2 2 361.486 1.114 10 0 FDAELP Cn1cc([C@H]2CCCN2C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cn1 ZINC000171361791 525963889 /nfs/dbraw/zinc/96/38/89/525963889.db2.gz MKLGCQIEMBPUBV-LJQANCHMSA-N 2 2 374.533 1.825 10 0 FDAELP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000171527052 526024694 /nfs/dbraw/zinc/02/46/94/526024694.db2.gz MWUJMAYZRLLCNG-SJORKVTESA-N 2 2 369.473 1.047 10 0 FDAELP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000171527052 526024699 /nfs/dbraw/zinc/02/46/99/526024699.db2.gz MWUJMAYZRLLCNG-SJORKVTESA-N 2 2 369.473 1.047 10 0 FDAELP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2cnc3c(c2)c(C)nn3C)nc[nH+]1 ZINC000171734002 526102205 /nfs/dbraw/zinc/10/22/05/526102205.db2.gz WBFHYVKUSIRTMM-OAHLLOKOSA-N 2 2 366.473 1.867 10 0 FDAELP C[C@@H](C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000246841154 537036972 /nfs/dbraw/zinc/03/69/72/537036972.db2.gz DLJRCOMDYBCQER-UWVAXJGDSA-N 2 2 357.498 1.612 10 0 FDAELP C[C@@H](C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1)[N@H+]1CCc2ccccc2C1 ZINC000246841154 537036975 /nfs/dbraw/zinc/03/69/75/537036975.db2.gz DLJRCOMDYBCQER-UWVAXJGDSA-N 2 2 357.498 1.612 10 0 FDAELP CC[C@@H]1CN(C(=O)[C@H](C)[NH+]2CCc3ccccc3C2)CC[N@@H+]1C[C@H](C)O ZINC000247017966 537070315 /nfs/dbraw/zinc/07/03/15/537070315.db2.gz WOOZJDSCNSRODD-ABSDTBQOSA-N 2 2 359.514 1.737 10 0 FDAELP CC[C@@H]1CN(C(=O)[C@H](C)[NH+]2CCc3ccccc3C2)CC[N@H+]1C[C@H](C)O ZINC000247017966 537070318 /nfs/dbraw/zinc/07/03/18/537070318.db2.gz WOOZJDSCNSRODD-ABSDTBQOSA-N 2 2 359.514 1.737 10 0 FDAELP CC[C@@H]1CN(C(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)CC[NH+]1C[C@H](C)O ZINC000247017966 537070321 /nfs/dbraw/zinc/07/03/21/537070321.db2.gz WOOZJDSCNSRODD-ABSDTBQOSA-N 2 2 359.514 1.737 10 0 FDAELP CC[C@@H]1CN(C(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)CC[NH+]1C[C@H](C)O ZINC000247017966 537070323 /nfs/dbraw/zinc/07/03/23/537070323.db2.gz WOOZJDSCNSRODD-ABSDTBQOSA-N 2 2 359.514 1.737 10 0 FDAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCC[C@@H](n4cncn4)C3)c2cc1C ZINC000247565946 537135440 /nfs/dbraw/zinc/13/54/40/537135440.db2.gz GNIINYVDCHRMNE-SJORKVTESA-N 2 2 354.458 1.943 10 0 FDAELP CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+][C@@H]2CCC[N@H+](CC)C2)CC1 ZINC000248384753 537175264 /nfs/dbraw/zinc/17/52/64/537175264.db2.gz FYFJCPIBWDHHES-NVXWUHKLSA-N 2 2 353.507 1.641 10 0 FDAELP CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+][C@@H]2CCC[N@@H+](CC)C2)CC1 ZINC000248384753 537175266 /nfs/dbraw/zinc/17/52/66/537175266.db2.gz FYFJCPIBWDHHES-NVXWUHKLSA-N 2 2 353.507 1.641 10 0 FDAELP C[N@@H+]1CCO[C@H](CNC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000252442075 537249311 /nfs/dbraw/zinc/24/93/11/537249311.db2.gz GFKACBDGCGRKPE-RAFMOHDBSA-N 2 2 372.513 1.812 10 0 FDAELP C[N@H+]1CCO[C@H](CNC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000252442075 537249313 /nfs/dbraw/zinc/24/93/13/537249313.db2.gz GFKACBDGCGRKPE-RAFMOHDBSA-N 2 2 372.513 1.812 10 0 FDAELP C[NH+]1CCO[C@H](CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000252442075 537249314 /nfs/dbraw/zinc/24/93/14/537249314.db2.gz GFKACBDGCGRKPE-RAFMOHDBSA-N 2 2 372.513 1.812 10 0 FDAELP C[NH+]1CCO[C@H](CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000252442075 537249316 /nfs/dbraw/zinc/24/93/16/537249316.db2.gz GFKACBDGCGRKPE-RAFMOHDBSA-N 2 2 372.513 1.812 10 0 FDAELP CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195281057 537389619 /nfs/dbraw/zinc/38/96/19/537389619.db2.gz BQHGXLHFMJOBLP-NVXWUHKLSA-N 2 2 361.490 1.458 10 0 FDAELP CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195281057 537389628 /nfs/dbraw/zinc/38/96/28/537389628.db2.gz BQHGXLHFMJOBLP-NVXWUHKLSA-N 2 2 361.490 1.458 10 0 FDAELP CC(C)NC(=O)NC(=O)[C@@H](C)[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195281057 537389632 /nfs/dbraw/zinc/38/96/32/537389632.db2.gz BQHGXLHFMJOBLP-NVXWUHKLSA-N 2 2 361.490 1.458 10 0 FDAELP CC(C)NC(=O)NC(=O)[C@@H](C)[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195281057 537389640 /nfs/dbraw/zinc/38/96/40/537389640.db2.gz BQHGXLHFMJOBLP-NVXWUHKLSA-N 2 2 361.490 1.458 10 0 FDAELP C[C@@H]1C[N@H+](CCS(=O)(=O)c2ccc(Br)cc2)C[C@@H]1C[NH3+] ZINC000631843538 558050415 /nfs/dbraw/zinc/05/04/15/558050415.db2.gz OZUJNSGYZKEXTO-NEPJUHHUSA-N 2 2 361.305 1.749 10 0 FDAELP C[C@@H]1C[N@@H+](CCS(=O)(=O)c2ccc(Br)cc2)C[C@@H]1C[NH3+] ZINC000631843538 558050416 /nfs/dbraw/zinc/05/04/16/558050416.db2.gz OZUJNSGYZKEXTO-NEPJUHHUSA-N 2 2 361.305 1.749 10 0 FDAELP CN(C)S(=O)(=O)c1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000262046147 672717618 /nfs/dbraw/zinc/71/76/18/672717618.db2.gz ZDOUDJVXIOVRIY-BBWFWOEESA-N 2 2 367.515 1.184 10 0 FDAELP C[C@@]([NH3+])(C(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1)c1ccccc1 ZINC000192530065 178118833 /nfs/dbraw/zinc/11/88/33/178118833.db2.gz DHFJMLYWYZUHBE-CTNGQTDRSA-N 2 2 353.466 1.738 10 0 FDAELP O=C([C@@H]1CCCC[N@@H+]1Cc1ccccc1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000245431117 178357203 /nfs/dbraw/zinc/35/72/03/178357203.db2.gz NXEYLEJSHAEUFC-UXHICEINSA-N 2 2 357.498 1.974 10 0 FDAELP O=C([C@@H]1CCCC[N@H+]1Cc1ccccc1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000245431117 178357206 /nfs/dbraw/zinc/35/72/06/178357206.db2.gz NXEYLEJSHAEUFC-UXHICEINSA-N 2 2 357.498 1.974 10 0 FDAELP CC[C@H](C)[C@H](NC(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)C(=O)OC ZINC000171645343 258266985 /nfs/dbraw/zinc/26/69/85/258266985.db2.gz BLJNPCQJTYZRNT-DAYGRLMNSA-N 2 2 362.474 1.519 10 0 FDAELP CC[C@H](C)[C@H](NC(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)C(=O)OC ZINC000171645343 258266986 /nfs/dbraw/zinc/26/69/86/258266986.db2.gz BLJNPCQJTYZRNT-DAYGRLMNSA-N 2 2 362.474 1.519 10 0 FDAELP CCn1c(C)nnc1C[NH+]1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000171753601 258269690 /nfs/dbraw/zinc/26/96/90/258269690.db2.gz KGPVPEJRZPMPJK-UHFFFAOYSA-N 2 2 362.522 1.373 10 0 FDAELP CS(=O)(=O)N1CCC[C@@H](C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)C1 ZINC000131299549 173196823 /nfs/dbraw/zinc/19/68/23/173196823.db2.gz IPFJVGLVVIOTNC-CVEARBPZSA-N 2 2 352.504 1.487 10 0 FDAELP CS(=O)(=O)N1CCC[C@@H](C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)C1 ZINC000131299549 173196824 /nfs/dbraw/zinc/19/68/24/173196824.db2.gz IPFJVGLVVIOTNC-CVEARBPZSA-N 2 2 352.504 1.487 10 0 FDAELP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000135402208 173343919 /nfs/dbraw/zinc/34/39/19/173343919.db2.gz ILCQRHQIXSSHGC-ZHALLVOQSA-N 2 2 374.529 1.773 10 0 FDAELP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000135402208 173343920 /nfs/dbraw/zinc/34/39/20/173343920.db2.gz ILCQRHQIXSSHGC-ZHALLVOQSA-N 2 2 374.529 1.773 10 0 FDAELP C[C@@H](CNC(=O)NCC[N@H+](C)Cc1ccc(F)cc1)[NH+]1CCOCC1 ZINC000175603036 174014143 /nfs/dbraw/zinc/01/41/43/174014143.db2.gz UWWBZGMPYKDOBP-HNNXBMFYSA-N 2 2 352.454 1.277 10 0 FDAELP C[C@@H](CNC(=O)NCC[N@@H+](C)Cc1ccc(F)cc1)[NH+]1CCOCC1 ZINC000175603036 174014146 /nfs/dbraw/zinc/01/41/46/174014146.db2.gz UWWBZGMPYKDOBP-HNNXBMFYSA-N 2 2 352.454 1.277 10 0 FDAELP CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)NCCn1cc[nH+]c1 ZINC000176925253 174094830 /nfs/dbraw/zinc/09/48/30/174094830.db2.gz SRBXVMNLRFSKCP-OAHLLOKOSA-N 2 2 363.487 1.660 10 0 FDAELP C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)C[C@H]1[NH+]1CCOCC1 ZINC000179464153 258351696 /nfs/dbraw/zinc/35/16/96/258351696.db2.gz WKAWWTLWNZKRDB-VBSBHUPXSA-N 2 2 372.513 1.794 10 0 FDAELP C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)C[C@H]1[NH+]1CCOCC1 ZINC000179464153 258351697 /nfs/dbraw/zinc/35/16/97/258351697.db2.gz WKAWWTLWNZKRDB-VBSBHUPXSA-N 2 2 372.513 1.794 10 0 FDAELP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)CC(C)C ZINC000173795612 258310990 /nfs/dbraw/zinc/31/09/90/258310990.db2.gz NKKDUEDJSLIPDO-ZWKOTPCHSA-N 2 2 354.539 1.859 10 0 FDAELP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173978933 258316363 /nfs/dbraw/zinc/31/63/63/258316363.db2.gz JEIDUKUDNMCPAI-VQTJNVASSA-N 2 2 373.497 1.211 10 0 FDAELP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173978933 258316364 /nfs/dbraw/zinc/31/63/64/258316364.db2.gz JEIDUKUDNMCPAI-VQTJNVASSA-N 2 2 373.497 1.211 10 0 FDAELP CCCC[N@@H+]1CCOC[C@H]1C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000184294172 258380991 /nfs/dbraw/zinc/38/09/91/258380991.db2.gz WHGVTAZBKYSIED-KRWDZBQOSA-N 2 2 357.458 1.693 10 0 FDAELP CCCC[N@H+]1CCOC[C@H]1C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000184294172 258380992 /nfs/dbraw/zinc/38/09/92/258380992.db2.gz WHGVTAZBKYSIED-KRWDZBQOSA-N 2 2 357.458 1.693 10 0 FDAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(C(=O)NCCn2cc[nH+]c2)C1 ZINC000190676602 258390211 /nfs/dbraw/zinc/39/02/11/258390211.db2.gz LKQFIJGFNZDQGN-HNNXBMFYSA-N 2 2 362.503 1.812 10 0 FDAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(C(=O)NCCn2cc[nH+]c2)C1 ZINC000190676602 258390212 /nfs/dbraw/zinc/39/02/12/258390212.db2.gz LKQFIJGFNZDQGN-HNNXBMFYSA-N 2 2 362.503 1.812 10 0 FDAELP [NH3+]C[C@@H](O)CN1CC[NH+](C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000038794175 519636015 /nfs/dbraw/zinc/63/60/15/519636015.db2.gz GTOWJQGNDYKISO-LJQANCHMSA-N 2 2 361.436 1.991 10 0 FDAELP C[NH+](C)CCNC(=O)c1cc2n(n1)CCN(c1[nH+]ccc3ccccc31)C2 ZINC000067879328 523619765 /nfs/dbraw/zinc/61/97/65/523619765.db2.gz TWGPSGWKHMWCOA-UHFFFAOYSA-N 2 2 364.453 1.743 10 0 FDAELP Cc1ccc(CN(CC[NH+](C)C)C(=O)NC[C@@H](C)[NH+]2CCOCC2)o1 ZINC000079598991 523772549 /nfs/dbraw/zinc/77/25/49/523772549.db2.gz KCBLLFUUKKHAFY-OAHLLOKOSA-N 2 2 352.479 1.382 10 0 FDAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000158422748 524465093 /nfs/dbraw/zinc/46/50/93/524465093.db2.gz XXSUFWRWFQVJMN-SOLBZPMBSA-N 2 2 370.563 1.222 10 0 FDAELP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000158422748 524465105 /nfs/dbraw/zinc/46/51/05/524465105.db2.gz XXSUFWRWFQVJMN-SOLBZPMBSA-N 2 2 370.563 1.222 10 0 FDAELP CCC[C@H](C(=O)OCC)[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000114802861 524878767 /nfs/dbraw/zinc/87/87/67/524878767.db2.gz IVQTUAGKHIUSCL-QZTJIDSGSA-N 2 2 355.523 1.445 10 0 FDAELP CCC[C@H](C(=O)OCC)[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000114802861 524878773 /nfs/dbraw/zinc/87/87/73/524878773.db2.gz IVQTUAGKHIUSCL-QZTJIDSGSA-N 2 2 355.523 1.445 10 0 FDAELP CC[N@H+](CCNC(=O)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1)C1CC1 ZINC000115677412 525043171 /nfs/dbraw/zinc/04/31/71/525043171.db2.gz FGPPSYTZNGUVRX-UHFFFAOYSA-N 2 2 362.522 1.348 10 0 FDAELP CC[N@@H+](CCNC(=O)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1)C1CC1 ZINC000115677412 525043180 /nfs/dbraw/zinc/04/31/80/525043180.db2.gz FGPPSYTZNGUVRX-UHFFFAOYSA-N 2 2 362.522 1.348 10 0 FDAELP CCOCC[N@@H+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)C[C@H]1CC ZINC000116769416 525209459 /nfs/dbraw/zinc/20/94/59/525209459.db2.gz BJGHTGRTEDYCCT-QGZVFWFLSA-N 2 2 357.458 1.840 10 0 FDAELP CCOCC[N@H+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)C[C@H]1CC ZINC000116769416 525209470 /nfs/dbraw/zinc/20/94/70/525209470.db2.gz BJGHTGRTEDYCCT-QGZVFWFLSA-N 2 2 357.458 1.840 10 0 FDAELP CC[C@@H]1CN(C(=O)NCCc2cn3ccccc3[nH+]2)CC[N@@H+]1CCOC ZINC000117473918 525344463 /nfs/dbraw/zinc/34/44/63/525344463.db2.gz FHZJNPVJSHIPHC-QGZVFWFLSA-N 2 2 359.474 1.629 10 0 FDAELP CC[C@@H]1CN(C(=O)NCCc2cn3ccccc3[nH+]2)CC[N@H+]1CCOC ZINC000117473918 525344471 /nfs/dbraw/zinc/34/44/71/525344471.db2.gz FHZJNPVJSHIPHC-QGZVFWFLSA-N 2 2 359.474 1.629 10 0 FDAELP CC[NH+](CC)CCOc1ccccc1NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000105282559 525486110 /nfs/dbraw/zinc/48/61/10/525486110.db2.gz IPGVQKLBDUYDRT-MRXNPFEDSA-N 2 2 364.490 1.859 10 0 FDAELP CC[NH+](CC)CCOc1ccccc1NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000105282559 525486115 /nfs/dbraw/zinc/48/61/15/525486115.db2.gz IPGVQKLBDUYDRT-MRXNPFEDSA-N 2 2 364.490 1.859 10 0 FDAELP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000105279727 525486363 /nfs/dbraw/zinc/48/63/63/525486363.db2.gz SGQVMUSVNYLKOM-QGZVFWFLSA-N 2 2 352.454 1.230 10 0 FDAELP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000105279727 525486369 /nfs/dbraw/zinc/48/63/69/525486369.db2.gz SGQVMUSVNYLKOM-QGZVFWFLSA-N 2 2 352.454 1.230 10 0 FDAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](CCOc3cccc(F)c3)CC2)C1 ZINC000106121213 525613108 /nfs/dbraw/zinc/61/31/08/525613108.db2.gz KADKDQYAKGZLOU-FQEVSTJZSA-N 2 2 365.493 1.931 10 0 FDAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](CCOc3cccc(F)c3)CC2)C1 ZINC000106121213 525613111 /nfs/dbraw/zinc/61/31/11/525613111.db2.gz KADKDQYAKGZLOU-FQEVSTJZSA-N 2 2 365.493 1.931 10 0 FDAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](C[C@H](O)c3ccccc3F)CC2)C1 ZINC000106121582 525613926 /nfs/dbraw/zinc/61/39/26/525613926.db2.gz VMTLCCBMQVCLBY-XLIONFOSSA-N 2 2 365.493 1.586 10 0 FDAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](C[C@H](O)c3ccccc3F)CC2)C1 ZINC000106121582 525613931 /nfs/dbraw/zinc/61/39/31/525613931.db2.gz VMTLCCBMQVCLBY-XLIONFOSSA-N 2 2 365.493 1.586 10 0 FDAELP CCC(C)(C)NC(=O)C[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000106122891 525619053 /nfs/dbraw/zinc/61/90/53/525619053.db2.gz IJGVTFVOUCMARQ-KRWDZBQOSA-N 2 2 354.539 1.018 10 0 FDAELP CCC(C)(C)NC(=O)C[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000106122891 525619062 /nfs/dbraw/zinc/61/90/62/525619062.db2.gz IJGVTFVOUCMARQ-KRWDZBQOSA-N 2 2 354.539 1.018 10 0 FDAELP C[N@H+](CC(=O)N1CCc2ccccc21)C1CC[NH+](CCn2cccn2)CC1 ZINC000106130569 525624126 /nfs/dbraw/zinc/62/41/26/525624126.db2.gz XEZOEOSBPQQUIV-UHFFFAOYSA-N 2 2 367.497 1.869 10 0 FDAELP C[N@@H+](CC(=O)N1CCc2ccccc21)C1CC[NH+](CCn2cccn2)CC1 ZINC000106130569 525624135 /nfs/dbraw/zinc/62/41/35/525624135.db2.gz XEZOEOSBPQQUIV-UHFFFAOYSA-N 2 2 367.497 1.869 10 0 FDAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)N2CCN(C(=O)C3CC3)CC2)C1 ZINC000106213112 525675915 /nfs/dbraw/zinc/67/59/15/525675915.db2.gz BEEYSAYTNBLEPT-KRWDZBQOSA-N 2 2 373.501 1.163 10 0 FDAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)N2CCN(C(=O)C3CC3)CC2)C1 ZINC000106213112 525675920 /nfs/dbraw/zinc/67/59/20/525675920.db2.gz BEEYSAYTNBLEPT-KRWDZBQOSA-N 2 2 373.501 1.163 10 0 FDAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)NC(=O)NCc2ccco2)C1 ZINC000106217255 525675972 /nfs/dbraw/zinc/67/59/72/525675972.db2.gz TXNBLFUMKPUUDH-AWEZNQCLSA-N 2 2 359.430 1.701 10 0 FDAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)NC(=O)NCc2ccco2)C1 ZINC000106217255 525675975 /nfs/dbraw/zinc/67/59/75/525675975.db2.gz TXNBLFUMKPUUDH-AWEZNQCLSA-N 2 2 359.430 1.701 10 0 FDAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+]([C@@H](C)C(=O)N3CCCCC3)CC2)C1 ZINC000155101846 525744146 /nfs/dbraw/zinc/74/41/46/525744146.db2.gz AJAAZYOTKDQCAN-OALUTQOASA-N 2 2 366.550 1.114 10 0 FDAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+]([C@@H](C)C(=O)N3CCCCC3)CC2)C1 ZINC000155101846 525744151 /nfs/dbraw/zinc/74/41/51/525744151.db2.gz AJAAZYOTKDQCAN-OALUTQOASA-N 2 2 366.550 1.114 10 0 FDAELP Cn1cc([C@@H]2CCCN2C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cn1 ZINC000171361788 525964279 /nfs/dbraw/zinc/96/42/79/525964279.db2.gz MKLGCQIEMBPUBV-IBGZPJMESA-N 2 2 374.533 1.825 10 0 FDAELP CNC(=O)c1ccc(C[NH+]2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)cc1 ZINC000109005499 526055118 /nfs/dbraw/zinc/05/51/18/526055118.db2.gz BRXGQYVQPGPBOF-HXUWFJFHSA-N 2 2 374.529 1.273 10 0 FDAELP CNC(=O)c1ccc(C[NH+]2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)cc1 ZINC000109005499 526055129 /nfs/dbraw/zinc/05/51/29/526055129.db2.gz BRXGQYVQPGPBOF-HXUWFJFHSA-N 2 2 374.529 1.273 10 0 FDAELP C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000246527430 536972978 /nfs/dbraw/zinc/97/29/78/536972978.db2.gz KXQSWAQIMMBVTP-YZGWKJHDSA-N 2 2 372.513 1.766 10 0 FDAELP C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C[N@H+]1Cc1ccccc1 ZINC000246527430 536972981 /nfs/dbraw/zinc/97/29/81/536972981.db2.gz KXQSWAQIMMBVTP-YZGWKJHDSA-N 2 2 372.513 1.766 10 0 FDAELP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000246829489 537035522 /nfs/dbraw/zinc/03/55/22/537035522.db2.gz CIOQHBINXCDGLG-DLBZAZTESA-N 2 2 368.485 1.342 10 0 FDAELP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000246829489 537035523 /nfs/dbraw/zinc/03/55/23/537035523.db2.gz CIOQHBINXCDGLG-DLBZAZTESA-N 2 2 368.485 1.342 10 0 FDAELP COC(=O)c1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1 ZINC000247105408 537081973 /nfs/dbraw/zinc/08/19/73/537081973.db2.gz QSCVAQBVJWKUAQ-QZTJIDSGSA-N 2 2 373.453 1.882 10 0 FDAELP COC(=O)c1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1 ZINC000247105408 537081976 /nfs/dbraw/zinc/08/19/76/537081976.db2.gz QSCVAQBVJWKUAQ-QZTJIDSGSA-N 2 2 373.453 1.882 10 0 FDAELP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000247252057 537101248 /nfs/dbraw/zinc/10/12/48/537101248.db2.gz YYFAIXQCBQAVBP-XWTMOSNGSA-N 2 2 352.523 1.469 10 0 FDAELP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000247252057 537101250 /nfs/dbraw/zinc/10/12/50/537101250.db2.gz YYFAIXQCBQAVBP-XWTMOSNGSA-N 2 2 352.523 1.469 10 0 FDAELP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248341057 537173098 /nfs/dbraw/zinc/17/30/98/537173098.db2.gz IUQNLLPRBVYVBX-ROUUACIJSA-N 2 2 357.502 1.289 10 0 FDAELP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000248341057 537173100 /nfs/dbraw/zinc/17/31/00/537173100.db2.gz IUQNLLPRBVYVBX-ROUUACIJSA-N 2 2 357.502 1.289 10 0 FDAELP CC[C@H]1CN(C(=O)NCCc2cn3ccccc3[nH+]2)CC[N@@H+]1C[C@H](C)O ZINC000248461497 537185435 /nfs/dbraw/zinc/18/54/35/537185435.db2.gz UXXQHIHTYBGOSA-RDJZCZTQSA-N 2 2 359.474 1.363 10 0 FDAELP CC[C@H]1CN(C(=O)NCCc2cn3ccccc3[nH+]2)CC[N@H+]1C[C@H](C)O ZINC000248461497 537185438 /nfs/dbraw/zinc/18/54/38/537185438.db2.gz UXXQHIHTYBGOSA-RDJZCZTQSA-N 2 2 359.474 1.363 10 0 FDAELP C[N@@H+]1CCO[C@@H](CNC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000252442074 537249533 /nfs/dbraw/zinc/24/95/33/537249533.db2.gz GFKACBDGCGRKPE-NXEWRWPSSA-N 2 2 372.513 1.812 10 0 FDAELP C[N@H+]1CCO[C@@H](CNC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000252442074 537249535 /nfs/dbraw/zinc/24/95/35/537249535.db2.gz GFKACBDGCGRKPE-NXEWRWPSSA-N 2 2 372.513 1.812 10 0 FDAELP C[NH+]1CCO[C@@H](CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000252442074 537249536 /nfs/dbraw/zinc/24/95/36/537249536.db2.gz GFKACBDGCGRKPE-NXEWRWPSSA-N 2 2 372.513 1.812 10 0 FDAELP C[NH+]1CCO[C@@H](CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000252442074 537249538 /nfs/dbraw/zinc/24/95/38/537249538.db2.gz GFKACBDGCGRKPE-NXEWRWPSSA-N 2 2 372.513 1.812 10 0 FDAELP O=c1[nH]ccnc1N1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000328640304 571325684 /nfs/dbraw/zinc/32/56/84/571325684.db2.gz QAEHYNCEDGLSKU-GOSISDBHSA-N 2 2 368.485 1.800 10 0 FDAELP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000194445092 178212589 /nfs/dbraw/zinc/21/25/89/178212589.db2.gz HRNNPAUXGHJPLW-PMACEKPBSA-N 2 2 372.513 1.625 10 0 FDAELP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000194445092 178212591 /nfs/dbraw/zinc/21/25/91/178212591.db2.gz HRNNPAUXGHJPLW-PMACEKPBSA-N 2 2 372.513 1.625 10 0 FDAELP [NH3+]C[C@H]1CCCN1C(=O)c1ccc(S(=O)(=O)Nc2cc[nH+]cc2)cc1 ZINC000238051367 178345786 /nfs/dbraw/zinc/34/57/86/178345786.db2.gz OXCJOGILHOFWMM-OAHLLOKOSA-N 2 2 360.439 1.446 10 0 FDAELP C[NH+]1CCN(Nc2[nH+]cnc(Nc3cccc4ncccc43)c2N)CC1 ZINC000040756986 208269406 /nfs/dbraw/zinc/26/94/06/208269406.db2.gz YDFGLFBBEPHBCY-UHFFFAOYSA-N 2 2 350.430 1.925 10 0 FDAELP C[N@H+](Cc1nccs1)[C@@H]1CC12CCN(C(=O)[C@@H]1C[NH+](C)CCO1)CC2 ZINC000548024970 542531644 /nfs/dbraw/zinc/53/16/44/542531644.db2.gz JOLOHAKHRISFJZ-LSDHHAIUSA-N 2 2 364.515 1.287 10 0 FDAELP C[N@@H+](Cc1nccs1)[C@@H]1CC12CCN(C(=O)[C@@H]1C[NH+](C)CCO1)CC2 ZINC000548024970 542531647 /nfs/dbraw/zinc/53/16/47/542531647.db2.gz JOLOHAKHRISFJZ-LSDHHAIUSA-N 2 2 364.515 1.287 10 0 FDAELP C[NH+](Cc1nccs1)[C@@H]1CC12CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)CC2 ZINC000548024970 542531649 /nfs/dbraw/zinc/53/16/49/542531649.db2.gz JOLOHAKHRISFJZ-LSDHHAIUSA-N 2 2 364.515 1.287 10 0 FDAELP C[NH+](Cc1nccs1)[C@@H]1CC12CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)CC2 ZINC000548024970 542531653 /nfs/dbraw/zinc/53/16/53/542531653.db2.gz JOLOHAKHRISFJZ-LSDHHAIUSA-N 2 2 364.515 1.287 10 0 FDAELP C[C@@H](NC(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)C(=O)N1CCCCC1 ZINC000171641086 258267354 /nfs/dbraw/zinc/26/73/54/258267354.db2.gz IAQTZHKVQWGNHX-IAGOWNOFSA-N 2 2 373.501 1.333 10 0 FDAELP C[C@@H](NC(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)C(=O)N1CCCCC1 ZINC000171641086 258267355 /nfs/dbraw/zinc/26/73/55/258267355.db2.gz IAQTZHKVQWGNHX-IAGOWNOFSA-N 2 2 373.501 1.333 10 0 FDAELP C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[NH+](CCCc3ccccc3)CC2)C1 ZINC000104798188 172387106 /nfs/dbraw/zinc/38/71/06/172387106.db2.gz PRVNTZIBBIPNTK-HXUWFJFHSA-N 2 2 374.529 1.667 10 0 FDAELP C[N@H+]1CCO[C@H](CNC(=O)N2CCC[NH+](CCCc3ccccc3)CC2)C1 ZINC000104798188 172387109 /nfs/dbraw/zinc/38/71/09/172387109.db2.gz PRVNTZIBBIPNTK-HXUWFJFHSA-N 2 2 374.529 1.667 10 0 FDAELP C[NH+]1CCO[C@H](CNC(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)C1 ZINC000104798188 172387112 /nfs/dbraw/zinc/38/71/12/172387112.db2.gz PRVNTZIBBIPNTK-HXUWFJFHSA-N 2 2 374.529 1.667 10 0 FDAELP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000150777472 173381354 /nfs/dbraw/zinc/38/13/54/173381354.db2.gz SQBCSHOTLGWSFV-HIFRSBDPSA-N 2 2 356.430 1.051 10 0 FDAELP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000176438776 174070078 /nfs/dbraw/zinc/07/00/78/174070078.db2.gz PDFAZMBATBRUMD-WOJBJXKFSA-N 2 2 374.529 1.871 10 0 FDAELP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000176438776 174070082 /nfs/dbraw/zinc/07/00/82/174070082.db2.gz PDFAZMBATBRUMD-WOJBJXKFSA-N 2 2 374.529 1.871 10 0 FDAELP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000176438776 174070084 /nfs/dbraw/zinc/07/00/84/174070084.db2.gz PDFAZMBATBRUMD-WOJBJXKFSA-N 2 2 374.529 1.871 10 0 FDAELP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000176438776 174070086 /nfs/dbraw/zinc/07/00/86/174070086.db2.gz PDFAZMBATBRUMD-WOJBJXKFSA-N 2 2 374.529 1.871 10 0 FDAELP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)CC1=O ZINC000177812450 174158435 /nfs/dbraw/zinc/15/84/35/174158435.db2.gz VRLMTRQOGPPMAQ-KZNAEPCWSA-N 2 2 373.501 1.207 10 0 FDAELP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)CC1=O ZINC000177812450 174158437 /nfs/dbraw/zinc/15/84/37/174158437.db2.gz VRLMTRQOGPPMAQ-KZNAEPCWSA-N 2 2 373.501 1.207 10 0 FDAELP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](c2ccc(C)s2)[NH+]2CCOCC2)C1 ZINC000177970226 174165625 /nfs/dbraw/zinc/16/56/25/174165625.db2.gz HTINZHWQRIPRGU-HOTGVXAUSA-N 2 2 367.515 1.267 10 0 FDAELP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](c2ccc(C)s2)[NH+]2CCOCC2)C1 ZINC000177970226 174165627 /nfs/dbraw/zinc/16/56/27/174165627.db2.gz HTINZHWQRIPRGU-HOTGVXAUSA-N 2 2 367.515 1.267 10 0 FDAELP Cc1ccc([C@H](CNC(=O)NC2CC[NH+](C)CC2)[NH+]2CCOCC2)s1 ZINC000178444471 174188244 /nfs/dbraw/zinc/18/82/44/174188244.db2.gz OSQDKPXIAKXDMH-INIZCTEOSA-N 2 2 366.531 1.823 10 0 FDAELP O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173885724 258313756 /nfs/dbraw/zinc/31/37/56/258313756.db2.gz QESBVRXJTXFIRG-UXHICEINSA-N 2 2 372.513 1.767 10 0 FDAELP O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173885724 258313757 /nfs/dbraw/zinc/31/37/57/258313757.db2.gz QESBVRXJTXFIRG-UXHICEINSA-N 2 2 372.513 1.767 10 0 FDAELP CC[N@H+](C)Cc1cccc(CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000173906856 258314283 /nfs/dbraw/zinc/31/42/83/258314283.db2.gz QARAWOIPBAWIBB-LJQANCHMSA-N 2 2 360.502 1.754 10 0 FDAELP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000173906856 258314284 /nfs/dbraw/zinc/31/42/84/258314284.db2.gz QARAWOIPBAWIBB-LJQANCHMSA-N 2 2 360.502 1.754 10 0 FDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)Nc1cccc(C(=O)N(C)C)c1 ZINC000178749133 258334351 /nfs/dbraw/zinc/33/43/51/258334351.db2.gz QVCXZVDFXPSHJD-GOSISDBHSA-N 2 2 369.469 1.996 10 0 FDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)Nc1cccc(C(=O)N(C)C)c1 ZINC000178749133 258334352 /nfs/dbraw/zinc/33/43/52/258334352.db2.gz QVCXZVDFXPSHJD-GOSISDBHSA-N 2 2 369.469 1.996 10 0 FDAELP C[C@H](NC(=O)NCC[N@@H+]1CCCOCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000187226509 258385753 /nfs/dbraw/zinc/38/57/53/258385753.db2.gz MBRREVWSTZHMII-INIZCTEOSA-N 2 2 357.458 1.955 10 0 FDAELP C[C@H](NC(=O)NCC[N@H+]1CCCOCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000187226509 258385754 /nfs/dbraw/zinc/38/57/54/258385754.db2.gz MBRREVWSTZHMII-INIZCTEOSA-N 2 2 357.458 1.955 10 0 FDAELP COC(=O)Cn1ncc2c1nc[nH+]c2N1CCC([N@@H+]2CCC[C@@H]2C)CC1 ZINC000301789283 259033547 /nfs/dbraw/zinc/03/35/47/259033547.db2.gz QBJDSCFAXFEEJL-ZDUSSCGKSA-N 2 2 358.446 1.452 10 0 FDAELP COC(=O)Cn1ncc2c1nc[nH+]c2N1CCC([N@H+]2CCC[C@@H]2C)CC1 ZINC000301789283 259033548 /nfs/dbraw/zinc/03/35/48/259033548.db2.gz QBJDSCFAXFEEJL-ZDUSSCGKSA-N 2 2 358.446 1.452 10 0 FDAELP CC[N@@H+]1CCC[C@H](NC(=O)NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)C1 ZINC000052523218 523192301 /nfs/dbraw/zinc/19/23/01/523192301.db2.gz GSRYZAQHNBFBDB-WBVHZDCISA-N 2 2 361.490 1.590 10 0 FDAELP CC[N@H+]1CCC[C@H](NC(=O)NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)C1 ZINC000052523218 523192313 /nfs/dbraw/zinc/19/23/13/523192313.db2.gz GSRYZAQHNBFBDB-WBVHZDCISA-N 2 2 361.490 1.590 10 0 FDAELP C[C@H](CNC(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1)[NH+]1CCOCC1 ZINC000077793375 523465539 /nfs/dbraw/zinc/46/55/39/523465539.db2.gz VWGOTUAHYUSLPF-HUUCEWRRSA-N 2 2 366.531 1.515 10 0 FDAELP C[C@H](CNC(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1)[NH+]1CCOCC1 ZINC000077793375 523465546 /nfs/dbraw/zinc/46/55/46/523465546.db2.gz VWGOTUAHYUSLPF-HUUCEWRRSA-N 2 2 366.531 1.515 10 0 FDAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H]2CCN(CC(F)(F)F)C2=O)nc[nH+]1 ZINC000111227140 524225466 /nfs/dbraw/zinc/22/54/66/524225466.db2.gz OJFHCWIPHMMEBD-VXGBXAGGSA-N 2 2 372.395 1.240 10 0 FDAELP CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000174629767 524661911 /nfs/dbraw/zinc/66/19/11/524661911.db2.gz SZUZMANWGAJXII-CABCVRRESA-N 2 2 363.510 1.517 10 0 FDAELP CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000174629767 524661918 /nfs/dbraw/zinc/66/19/18/524661918.db2.gz SZUZMANWGAJXII-CABCVRRESA-N 2 2 363.510 1.517 10 0 FDAELP CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000174629767 524661922 /nfs/dbraw/zinc/66/19/22/524661922.db2.gz SZUZMANWGAJXII-CABCVRRESA-N 2 2 363.510 1.517 10 0 FDAELP CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000174629767 524661928 /nfs/dbraw/zinc/66/19/28/524661928.db2.gz SZUZMANWGAJXII-CABCVRRESA-N 2 2 363.510 1.517 10 0 FDAELP C[NH+]1CCC(C(=O)N2CC[NH+](Cc3cnn(-c4ccccc4)c3)CC2)CC1 ZINC000174876340 524773779 /nfs/dbraw/zinc/77/37/79/524773779.db2.gz CHSVDZSQVWSHHS-UHFFFAOYSA-N 2 2 367.497 1.858 10 0 FDAELP COC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH+]1CCC[C@H]1C(=O)OC ZINC000114454992 524806042 /nfs/dbraw/zinc/80/60/42/524806042.db2.gz BKVHHCPJEIPIRE-HDICACEKSA-N 2 2 360.454 1.961 10 0 FDAELP COC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1C[NH+]1CCC[C@H]1C(=O)OC ZINC000114454992 524806043 /nfs/dbraw/zinc/80/60/43/524806043.db2.gz BKVHHCPJEIPIRE-HDICACEKSA-N 2 2 360.454 1.961 10 0 FDAELP COC(=O)[C@H]1CCC[NH+]1Cc1ccccc1C[N@@H+]1CCC[C@H]1C(=O)OC ZINC000114454992 524806045 /nfs/dbraw/zinc/80/60/45/524806045.db2.gz BKVHHCPJEIPIRE-HDICACEKSA-N 2 2 360.454 1.961 10 0 FDAELP COC(=O)[C@H]1CCC[NH+]1Cc1ccccc1C[N@H+]1CCC[C@H]1C(=O)OC ZINC000114454992 524806049 /nfs/dbraw/zinc/80/60/49/524806049.db2.gz BKVHHCPJEIPIRE-HDICACEKSA-N 2 2 360.454 1.961 10 0 FDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCNS(=O)(=O)CCCOC)C1 ZINC000175202711 524902434 /nfs/dbraw/zinc/90/24/34/524902434.db2.gz CMQHWRYERHPNPP-OAHLLOKOSA-N 2 2 358.508 1.038 10 0 FDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCNS(=O)(=O)CCCOC)C1 ZINC000175202711 524902443 /nfs/dbraw/zinc/90/24/43/524902443.db2.gz CMQHWRYERHPNPP-OAHLLOKOSA-N 2 2 358.508 1.038 10 0 FDAELP CCc1ccc(C[NH+]2CCN(C(=O)NC[C@H]3C[N@@H+](C)CCO3)CC2)s1 ZINC000125794848 525236191 /nfs/dbraw/zinc/23/61/91/525236191.db2.gz GLOUFYIILFFQBD-HNNXBMFYSA-N 2 2 366.531 1.468 10 0 FDAELP O=C(NCC1([NH+]2CCOCC2)CCCCC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000105077870 525460666 /nfs/dbraw/zinc/46/06/66/525460666.db2.gz LFQZIBYFLWZDFR-SFHVURJKSA-N 2 2 364.534 1.901 10 0 FDAELP O=C(NCC1([NH+]2CCOCC2)CCCCC1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000105077870 525460676 /nfs/dbraw/zinc/46/06/76/525460676.db2.gz LFQZIBYFLWZDFR-SFHVURJKSA-N 2 2 364.534 1.901 10 0 FDAELP COC(=O)c1coc(C[NH+]2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)c1 ZINC000106120664 525611753 /nfs/dbraw/zinc/61/17/53/525611753.db2.gz MTIHTKAUJYZIAA-GOSISDBHSA-N 2 2 365.474 1.293 10 0 FDAELP COC(=O)c1coc(C[NH+]2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)c1 ZINC000106120664 525611760 /nfs/dbraw/zinc/61/17/60/525611760.db2.gz MTIHTKAUJYZIAA-GOSISDBHSA-N 2 2 365.474 1.293 10 0 FDAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](C[C@H](O)c3ccc(F)cc3)CC2)C1 ZINC000106122095 525616462 /nfs/dbraw/zinc/61/64/62/525616462.db2.gz ZKSLCDSLDCHJPA-PMACEKPBSA-N 2 2 365.493 1.586 10 0 FDAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](C[C@H](O)c3ccc(F)cc3)CC2)C1 ZINC000106122095 525616475 /nfs/dbraw/zinc/61/64/75/525616475.db2.gz ZKSLCDSLDCHJPA-PMACEKPBSA-N 2 2 365.493 1.586 10 0 FDAELP O=C(NCc1cc[nH+]c(N2CCOCC2)c1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000171613925 526049787 /nfs/dbraw/zinc/04/97/87/526049787.db2.gz FLRASIHCJDRFFG-KRWDZBQOSA-N 2 2 359.474 1.298 10 0 FDAELP O=C(NCc1cc[nH+]c(N2CCOCC2)c1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000171613925 526049799 /nfs/dbraw/zinc/04/97/99/526049799.db2.gz FLRASIHCJDRFFG-KRWDZBQOSA-N 2 2 359.474 1.298 10 0 FDAELP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000171664454 526068113 /nfs/dbraw/zinc/06/81/13/526068113.db2.gz FGZSUJWUGTVARB-LJQANCHMSA-N 2 2 368.481 1.707 10 0 FDAELP C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000246382745 536941064 /nfs/dbraw/zinc/94/10/64/536941064.db2.gz HQYUWOPOSWCBKD-ROUUACIJSA-N 2 2 352.523 1.615 10 0 FDAELP C[N@H+]1CCO[C@@H](CNC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000246382745 536941068 /nfs/dbraw/zinc/94/10/68/536941068.db2.gz HQYUWOPOSWCBKD-ROUUACIJSA-N 2 2 352.523 1.615 10 0 FDAELP CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)nc[nH+]1 ZINC000246396986 536944604 /nfs/dbraw/zinc/94/46/04/536944604.db2.gz SXNGDSNSOSWRAD-IJEWVQPXSA-N 2 2 373.505 1.412 10 0 FDAELP CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)[nH+]cn1 ZINC000246396986 536944608 /nfs/dbraw/zinc/94/46/08/536944608.db2.gz SXNGDSNSOSWRAD-IJEWVQPXSA-N 2 2 373.505 1.412 10 0 FDAELP CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)[nH+]cn1 ZINC000246396986 536944610 /nfs/dbraw/zinc/94/46/10/536944610.db2.gz SXNGDSNSOSWRAD-IJEWVQPXSA-N 2 2 373.505 1.412 10 0 FDAELP O=C(N[C@@H](C[NH+]1CCOCC1)c1ccccc1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246537555 536976169 /nfs/dbraw/zinc/97/61/69/536976169.db2.gz XFEKDXNOFRMXTI-PMACEKPBSA-N 2 2 372.513 1.940 10 0 FDAELP O=C(N[C@@H](C[NH+]1CCOCC1)c1ccccc1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000246537555 536976175 /nfs/dbraw/zinc/97/61/75/536976175.db2.gz XFEKDXNOFRMXTI-PMACEKPBSA-N 2 2 372.513 1.940 10 0 FDAELP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000263131062 536979139 /nfs/dbraw/zinc/97/91/39/536979139.db2.gz BSAVLUSDSZXRNI-BXUZGUMPSA-N 2 2 351.248 1.509 10 0 FDAELP CCOCC[N@@H+]1CCN(C(=O)[C@H](C(CC)CC)[NH+]2CCOCC2)C[C@@H]1C ZINC000246731664 537013903 /nfs/dbraw/zinc/01/39/03/537013903.db2.gz MHZALFSIECWZPA-HKUYNNGSSA-N 2 2 369.550 1.693 10 0 FDAELP CCOCC[N@H+]1CCN(C(=O)[C@H](C(CC)CC)[NH+]2CCOCC2)C[C@@H]1C ZINC000246731664 537013904 /nfs/dbraw/zinc/01/39/04/537013904.db2.gz MHZALFSIECWZPA-HKUYNNGSSA-N 2 2 369.550 1.693 10 0 FDAELP COCC[N@@H+]1CCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)C[C@@H]1C ZINC000247050583 537074356 /nfs/dbraw/zinc/07/43/56/537074356.db2.gz JMMTVPCIWQFKGZ-DLBZAZTESA-N 2 2 364.490 1.779 10 0 FDAELP COCC[N@H+]1CCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)C[C@@H]1C ZINC000247050583 537074358 /nfs/dbraw/zinc/07/43/58/537074358.db2.gz JMMTVPCIWQFKGZ-DLBZAZTESA-N 2 2 364.490 1.779 10 0 FDAELP COC(=O)[C@@H](CC(C)C)NC(=O)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000247066885 537077927 /nfs/dbraw/zinc/07/79/27/537077927.db2.gz OHWLMWASXFHBQL-JKSUJKDBSA-N 2 2 350.463 1.360 10 0 FDAELP COC(=O)[C@@H](CC(C)C)NC(=O)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000247066885 537077930 /nfs/dbraw/zinc/07/79/30/537077930.db2.gz OHWLMWASXFHBQL-JKSUJKDBSA-N 2 2 350.463 1.360 10 0 FDAELP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000247085353 537079773 /nfs/dbraw/zinc/07/97/73/537079773.db2.gz DFAHOIAYRDATAF-RKVPGOIHSA-N 2 2 361.534 1.942 10 0 FDAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](C[C@H]3CC4(CCC4)C(=O)O3)CC2)C1 ZINC000248836999 537214975 /nfs/dbraw/zinc/21/49/75/537214975.db2.gz KEKABKIQUOTIEJ-MSOLQXFVSA-N 2 2 365.518 1.199 10 0 FDAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](C[C@H]3CC4(CCC4)C(=O)O3)CC2)C1 ZINC000248836999 537214976 /nfs/dbraw/zinc/21/49/76/537214976.db2.gz KEKABKIQUOTIEJ-MSOLQXFVSA-N 2 2 365.518 1.199 10 0 FDAELP CO[C@H]1C[C@@H](C[NH+](C)C)N(c2cc(N3Cc4cccnc4C3)[nH+]cn2)C1 ZINC000685941871 571102376 /nfs/dbraw/zinc/10/23/76/571102376.db2.gz ITJFHWBAHOFGHD-HOTGVXAUSA-N 2 2 354.458 1.547 10 0 FDAELP CNC(=O)c1ccc(C[N@H+](Cc2cncnc2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000328656677 571326248 /nfs/dbraw/zinc/32/62/48/571326248.db2.gz ZOCXZQGCVHRBHU-IBGZPJMESA-N 2 2 353.470 1.981 10 0 FDAELP CNC(=O)c1ccc(C[N@@H+](Cc2cncnc2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000328656677 571326249 /nfs/dbraw/zinc/32/62/49/571326249.db2.gz ZOCXZQGCVHRBHU-IBGZPJMESA-N 2 2 353.470 1.981 10 0 FDAELP CCOc1cc(C[NH2+][C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)ccc1OC ZINC000284502923 571336474 /nfs/dbraw/zinc/33/64/74/571336474.db2.gz KMRTUWXQTCVWKS-AUUYWEPGSA-N 2 2 358.442 1.937 10 0 FDAELP O=C(C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)Nc1ccc(F)c(F)c1F ZINC000261874495 672686274 /nfs/dbraw/zinc/68/62/74/672686274.db2.gz DLSNGZHRLLWTRZ-MPKXVKKWSA-N 2 2 357.376 1.789 10 0 FDAELP C[C@@H](CNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCOCC1 ZINC000194012963 178193486 /nfs/dbraw/zinc/19/34/86/178193486.db2.gz JZASLHQTINJYPC-PKOBYXMFSA-N 2 2 360.502 1.528 10 0 FDAELP C[C@@H](CNC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCOCC1 ZINC000194012963 178193487 /nfs/dbraw/zinc/19/34/87/178193487.db2.gz JZASLHQTINJYPC-PKOBYXMFSA-N 2 2 360.502 1.528 10 0 FDAELP CC[NH+]1CCN(C(=O)[C@@H](C)N2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)CC1 ZINC000195285253 178253431 /nfs/dbraw/zinc/25/34/31/178253431.db2.gz RLJOLNFQFSTVMG-UYAOXDASSA-N 2 2 373.545 1.388 10 0 FDAELP CC[NH+]1CCN(C(=O)[C@@H](C)N2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)CC1 ZINC000195285253 178253433 /nfs/dbraw/zinc/25/34/33/178253433.db2.gz RLJOLNFQFSTVMG-UYAOXDASSA-N 2 2 373.545 1.388 10 0 FDAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)CC1 ZINC000195285253 178253435 /nfs/dbraw/zinc/25/34/35/178253435.db2.gz RLJOLNFQFSTVMG-UYAOXDASSA-N 3 2 373.545 1.388 10 0 FDAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)CC1 ZINC000195285253 178253438 /nfs/dbraw/zinc/25/34/38/178253438.db2.gz RLJOLNFQFSTVMG-UYAOXDASSA-N 3 2 373.545 1.388 10 0 FDAELP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)CC1 ZINC000195285253 178253441 /nfs/dbraw/zinc/25/34/41/178253441.db2.gz RLJOLNFQFSTVMG-UYAOXDASSA-N 3 2 373.545 1.388 10 0 FDAELP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)CC1 ZINC000195285253 178253443 /nfs/dbraw/zinc/25/34/43/178253443.db2.gz RLJOLNFQFSTVMG-UYAOXDASSA-N 3 2 373.545 1.388 10 0 FDAELP [NH3+]C[C@@H]1CCCN1C(=O)c1ccc(S(=O)(=O)Nc2cc[nH+]cc2)cc1 ZINC000237970220 178341003 /nfs/dbraw/zinc/34/10/03/178341003.db2.gz OXCJOGILHOFWMM-HNNXBMFYSA-N 2 2 360.439 1.446 10 0 FDAELP C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1C[N@H+](C)CCO1)c1ccccc1Cl ZINC000171587995 258266641 /nfs/dbraw/zinc/26/66/41/258266641.db2.gz PBYPBRSDLUYGJO-CJNGLKHVSA-N 2 2 354.882 1.573 10 0 FDAELP C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1)c1ccccc1Cl ZINC000171587995 258266642 /nfs/dbraw/zinc/26/66/42/258266642.db2.gz PBYPBRSDLUYGJO-CJNGLKHVSA-N 2 2 354.882 1.573 10 0 FDAELP C[NH+]1CCC(CNC(=O)[C@H]2CCCn3ccnc32)([NH+]2CCCCC2)CC1 ZINC000081945404 172198531 /nfs/dbraw/zinc/19/85/31/172198531.db2.gz OMLIHJJSORAJQI-KRWDZBQOSA-N 2 2 359.518 1.827 10 0 FDAELP CC[NH+](CC)[C@H](CNC(=O)NC[C@H]1C[N@H+](C)CCO1)c1ccsc1 ZINC000104783005 172385443 /nfs/dbraw/zinc/38/54/43/172385443.db2.gz QXZZYXGMNQRRRA-JKSUJKDBSA-N 2 2 354.520 1.761 10 0 FDAELP CC[NH+](CC)[C@H](CNC(=O)NC[C@H]1C[N@@H+](C)CCO1)c1ccsc1 ZINC000104783005 172385446 /nfs/dbraw/zinc/38/54/46/172385446.db2.gz QXZZYXGMNQRRRA-JKSUJKDBSA-N 2 2 354.520 1.761 10 0 FDAELP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cn1 ZINC000105168633 172398796 /nfs/dbraw/zinc/39/87/96/172398796.db2.gz OCZJLNITHQRVQV-QGZVFWFLSA-N 2 2 354.458 1.955 10 0 FDAELP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cn1 ZINC000105168633 172398797 /nfs/dbraw/zinc/39/87/97/172398797.db2.gz OCZJLNITHQRVQV-QGZVFWFLSA-N 2 2 354.458 1.955 10 0 FDAELP C[C@H]1CN(C(=O)NCC[N@H+](C)Cc2ccccc2)C[C@H]1[NH+]1CCOCC1 ZINC000175710987 174022350 /nfs/dbraw/zinc/02/23/50/174022350.db2.gz YJKNGIXXYXVEEH-PKOBYXMFSA-N 2 2 360.502 1.481 10 0 FDAELP C[C@H]1CN(C(=O)NCC[N@@H+](C)Cc2ccccc2)C[C@H]1[NH+]1CCOCC1 ZINC000175710987 174022352 /nfs/dbraw/zinc/02/23/52/174022352.db2.gz YJKNGIXXYXVEEH-PKOBYXMFSA-N 2 2 360.502 1.481 10 0 FDAELP CC(=O)N1CCN(C(=O)[C@H](C)[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000180673770 258372714 /nfs/dbraw/zinc/37/27/14/258372714.db2.gz ZHXHLJKJRZVMMC-CVEARBPZSA-N 2 2 369.469 1.602 10 0 FDAELP C[NH+](C)[C@@H](CNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)c1cccs1 ZINC000173784331 258310681 /nfs/dbraw/zinc/31/06/81/258310681.db2.gz YOUDZUWZLMBBGA-GJZGRUSLSA-N 2 2 352.504 1.467 10 0 FDAELP C[NH+](C)C[C@@H]1CN(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)CCO1 ZINC000176561534 258324840 /nfs/dbraw/zinc/32/48/40/258324840.db2.gz MMSVNCKDSLJOEM-MRXNPFEDSA-N 2 2 373.457 1.756 10 0 FDAELP CCOC(=O)C1CCC(O)(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000190914624 258390325 /nfs/dbraw/zinc/39/03/25/258390325.db2.gz MVGHTKADAQIQIU-LRYGQEGESA-N 2 2 354.491 1.125 10 0 FDAELP CCOC(=O)C1CCC(O)(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000190914624 258390326 /nfs/dbraw/zinc/39/03/26/258390326.db2.gz MVGHTKADAQIQIU-LRYGQEGESA-N 2 2 354.491 1.125 10 0 FDAELP COc1cccc2c1[nH+]cc(C)c2N(C)C[C@@H](O)C[NH+]1CCN(C)CC1 ZINC000302672085 259044500 /nfs/dbraw/zinc/04/45/00/259044500.db2.gz RXAHTLBLHYHSPX-MRXNPFEDSA-N 2 2 358.486 1.596 10 0 FDAELP COc1cccc2c1[nH+]cc(C)c2N(C)C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000302672085 259044501 /nfs/dbraw/zinc/04/45/01/259044501.db2.gz RXAHTLBLHYHSPX-MRXNPFEDSA-N 2 2 358.486 1.596 10 0 FDAELP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC000333264829 259327773 /nfs/dbraw/zinc/32/77/73/259327773.db2.gz JJCBRLIBBRUXNI-GUDVDZBRSA-N 2 2 365.518 1.232 10 0 FDAELP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC000333264829 259327775 /nfs/dbraw/zinc/32/77/75/259327775.db2.gz JJCBRLIBBRUXNI-GUDVDZBRSA-N 2 2 365.518 1.232 10 0 FDAELP CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)C1 ZINC000333462738 259350496 /nfs/dbraw/zinc/35/04/96/259350496.db2.gz PWKUUGLENYDXQX-BZUAXINKSA-N 2 2 361.490 1.793 10 0 FDAELP CC[NH+](CC)[C@@H](C)CNC(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000048876932 522789007 /nfs/dbraw/zinc/78/90/07/522789007.db2.gz ODPRQGQVNQVJBA-JKSUJKDBSA-N 2 2 363.506 1.836 10 0 FDAELP C[C@@H](CNC(=O)NC1CC[NH+](CCc2ccccc2)CC1)[NH+]1CCOCC1 ZINC000077774161 523460254 /nfs/dbraw/zinc/46/02/54/523460254.db2.gz VLYXZNWHCKHCHY-SFHVURJKSA-N 2 2 374.529 1.713 10 0 FDAELP CC(C)C[C@H](C[NH+](C)C)NC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000079182200 523718096 /nfs/dbraw/zinc/71/80/96/523718096.db2.gz GAKKMQPDVSMAGH-QGZVFWFLSA-N 2 2 363.506 1.694 10 0 FDAELP C[C@@H](CNC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)[NH+]1CCOCC1 ZINC000079653682 523779126 /nfs/dbraw/zinc/77/91/26/523779126.db2.gz SJSXOYFCAHSJGY-YOEHRIQHSA-N 2 2 352.454 1.448 10 0 FDAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](Cc3cccc4c3OCO4)CC2)C1 ZINC000121036469 524133332 /nfs/dbraw/zinc/13/33/32/524133332.db2.gz BLXKEWAZRPAUAF-SFHVURJKSA-N 2 2 361.486 1.642 10 0 FDAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](Cc3cccc4c3OCO4)CC2)C1 ZINC000121036469 524133340 /nfs/dbraw/zinc/13/33/40/524133340.db2.gz BLXKEWAZRPAUAF-SFHVURJKSA-N 2 2 361.486 1.642 10 0 FDAELP CCC[C@@H](C(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1)[NH+](C)C ZINC000152493490 524905557 /nfs/dbraw/zinc/90/55/57/524905557.db2.gz JPFRQJQEZXPEKY-INIZCTEOSA-N 2 2 361.490 1.130 10 0 FDAELP CC[C@H]1CN(C(=O)NCCCCn2cc[nH+]c2C)CC[N@@H+]1CCOC ZINC000175460326 524965368 /nfs/dbraw/zinc/96/53/68/524965368.db2.gz SKNLYDLDEUZABS-KRWDZBQOSA-N 2 2 351.495 1.724 10 0 FDAELP CC[C@H]1CN(C(=O)NCCCCn2cc[nH+]c2C)CC[N@H+]1CCOC ZINC000175460326 524965378 /nfs/dbraw/zinc/96/53/78/524965378.db2.gz SKNLYDLDEUZABS-KRWDZBQOSA-N 2 2 351.495 1.724 10 0 FDAELP CCC[C@@H](C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1)[NH+](C)C ZINC000161549354 525126495 /nfs/dbraw/zinc/12/64/95/525126495.db2.gz FLNUXHGAUUMAIL-SFHVURJKSA-N 2 2 350.482 1.794 10 0 FDAELP C[NH+](C)C[C@H]1CN(C(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)CCO1 ZINC000116796779 525222809 /nfs/dbraw/zinc/22/28/09/525222809.db2.gz CULBWZRFSGOFEX-ROUUACIJSA-N 2 2 363.527 1.566 10 0 FDAELP C[NH+](C)CCOc1cc(CNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)ccn1 ZINC000153583926 525256780 /nfs/dbraw/zinc/25/67/80/525256780.db2.gz RXICXILTHQXBPB-QGZVFWFLSA-N 2 2 372.473 1.593 10 0 FDAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](CC(=O)NCCC(C)(C)C)CC2)C1 ZINC000106120782 525612186 /nfs/dbraw/zinc/61/21/86/525612186.db2.gz ALZMOEJHKZMWHX-GOSISDBHSA-N 2 2 368.566 1.266 10 0 FDAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](CC(=O)NCCC(C)(C)C)CC2)C1 ZINC000106120782 525612194 /nfs/dbraw/zinc/61/21/94/525612194.db2.gz ALZMOEJHKZMWHX-GOSISDBHSA-N 2 2 368.566 1.266 10 0 FDAELP C[C@H](C(=O)Nc1ncccn1)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106129459 525620880 /nfs/dbraw/zinc/62/08/80/525620880.db2.gz LMYYYWZQDUFBTP-OAHLLOKOSA-N 2 2 357.462 1.097 10 0 FDAELP C[C@H](C(=O)Nc1ncccn1)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106129459 525620888 /nfs/dbraw/zinc/62/08/88/525620888.db2.gz LMYYYWZQDUFBTP-OAHLLOKOSA-N 2 2 357.462 1.097 10 0 FDAELP CN(CC(F)(F)F)C(=O)C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106128787 525621857 /nfs/dbraw/zinc/62/18/57/525621857.db2.gz ZCGLNAYAYHAOIN-UHFFFAOYSA-N 2 2 361.412 1.300 10 0 FDAELP CN(CC(F)(F)F)C(=O)C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106128787 525621865 /nfs/dbraw/zinc/62/18/65/525621865.db2.gz ZCGLNAYAYHAOIN-UHFFFAOYSA-N 2 2 361.412 1.300 10 0 FDAELP C[C@@H](C(=O)NCc1ccccc1)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106130842 525623273 /nfs/dbraw/zinc/62/32/73/525623273.db2.gz AAHCDUWNARUYDX-SFHVURJKSA-N 2 2 369.513 1.984 10 0 FDAELP C[C@@H](C(=O)NCc1ccccc1)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106130842 525623281 /nfs/dbraw/zinc/62/32/81/525623281.db2.gz AAHCDUWNARUYDX-SFHVURJKSA-N 2 2 369.513 1.984 10 0 FDAELP C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106130589 525624712 /nfs/dbraw/zinc/62/47/12/525624712.db2.gz KYOBSJHPPMUCEK-IEBWSBKVSA-N 2 2 361.534 1.974 10 0 FDAELP C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106130589 525624722 /nfs/dbraw/zinc/62/47/22/525624722.db2.gz KYOBSJHPPMUCEK-IEBWSBKVSA-N 2 2 361.534 1.974 10 0 FDAELP CC[NH+]1CCN(c2ccccc2NC(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000170708193 525689468 /nfs/dbraw/zinc/68/94/68/525689468.db2.gz OUGJBLHVTGMHLC-MRXNPFEDSA-N 2 2 361.490 1.281 10 0 FDAELP CC[NH+]1CCN(c2ccccc2NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000170708193 525689474 /nfs/dbraw/zinc/68/94/74/525689474.db2.gz OUGJBLHVTGMHLC-MRXNPFEDSA-N 2 2 361.490 1.281 10 0 FDAELP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000106913377 525823390 /nfs/dbraw/zinc/82/33/90/525823390.db2.gz RPHAWEYEAMBCCQ-OAQYLSRUSA-N 3 2 372.557 1.834 10 0 FDAELP C[NH+]1CCN([C@H](C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c2ccccc2)CC1 ZINC000171451617 525998747 /nfs/dbraw/zinc/99/87/47/525998747.db2.gz UWLDGUGDMMFWIC-UXHICEINSA-N 2 2 356.514 1.672 10 0 FDAELP C[NH+]1CCN([C@H](C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)c2ccccc2)CC1 ZINC000171451617 525998748 /nfs/dbraw/zinc/99/87/48/525998748.db2.gz UWLDGUGDMMFWIC-UXHICEINSA-N 2 2 356.514 1.672 10 0 FDAELP CCOC(=O)[C@@H](CC(C)C)[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000182138790 526068855 /nfs/dbraw/zinc/06/88/55/526068855.db2.gz VFHODITZJMXJER-RBUKOAKNSA-N 2 2 369.550 1.691 10 0 FDAELP CCOC(=O)[C@@H](CC(C)C)[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000182138790 526068868 /nfs/dbraw/zinc/06/88/68/526068868.db2.gz VFHODITZJMXJER-RBUKOAKNSA-N 2 2 369.550 1.691 10 0 FDAELP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)NC[C@H]1C[NH+](C)CCO1)C1CC1 ZINC000187813587 536275136 /nfs/dbraw/zinc/27/51/36/536275136.db2.gz YQKNKEHQCSFNDU-OALUTQOASA-N 2 2 360.502 1.527 10 0 FDAELP C[NH+](Cc1ccccc1)[C@@H](CNC(=O)NC[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC000187813587 536275138 /nfs/dbraw/zinc/27/51/38/536275138.db2.gz YQKNKEHQCSFNDU-OALUTQOASA-N 2 2 360.502 1.527 10 0 FDAELP C[NH+](Cc1ccccc1)[C@@H](CNC(=O)NC[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC000187813587 536275139 /nfs/dbraw/zinc/27/51/39/536275139.db2.gz YQKNKEHQCSFNDU-OALUTQOASA-N 2 2 360.502 1.527 10 0 FDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000246346719 536932784 /nfs/dbraw/zinc/93/27/84/536932784.db2.gz OTWRPBMPURUHPR-HZPDHXFCSA-N 2 2 354.520 1.754 10 0 FDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000246346719 536932788 /nfs/dbraw/zinc/93/27/88/536932788.db2.gz OTWRPBMPURUHPR-HZPDHXFCSA-N 2 2 354.520 1.754 10 0 FDAELP C[C@H]1C[N@@H+]([C@H](CNC(=O)NC2CC[NH+](C)CC2)c2cccs2)CCO1 ZINC000246937669 537054578 /nfs/dbraw/zinc/05/45/78/537054578.db2.gz OSJJPDUEFBGRJG-GOEBONIOSA-N 2 2 366.531 1.903 10 0 FDAELP C[C@H]1C[N@H+]([C@H](CNC(=O)NC2CC[NH+](C)CC2)c2cccs2)CCO1 ZINC000246937669 537054581 /nfs/dbraw/zinc/05/45/81/537054581.db2.gz OSJJPDUEFBGRJG-GOEBONIOSA-N 2 2 366.531 1.903 10 0 FDAELP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NC[C@H]2C[NH+](C)CCO2)C1 ZINC000247081257 537079271 /nfs/dbraw/zinc/07/92/71/537079271.db2.gz VTUSHKSLFHLQHB-KURKYZTESA-N 2 2 352.523 1.613 10 0 FDAELP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NC[C@H]2C[NH+](C)CCO2)C1 ZINC000247081257 537079272 /nfs/dbraw/zinc/07/92/72/537079272.db2.gz VTUSHKSLFHLQHB-KURKYZTESA-N 2 2 352.523 1.613 10 0 FDAELP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)NC[C@H]2C[N@H+](C)CCO2)C1 ZINC000247081257 537079275 /nfs/dbraw/zinc/07/92/75/537079275.db2.gz VTUSHKSLFHLQHB-KURKYZTESA-N 2 2 352.523 1.613 10 0 FDAELP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)NC[C@H]2C[N@@H+](C)CCO2)C1 ZINC000247081257 537079276 /nfs/dbraw/zinc/07/92/76/537079276.db2.gz VTUSHKSLFHLQHB-KURKYZTESA-N 2 2 352.523 1.613 10 0 FDAELP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000247089384 537080010 /nfs/dbraw/zinc/08/00/10/537080010.db2.gz ICLZQJZICXTWPK-RDJZCZTQSA-N 2 2 359.474 1.296 10 0 FDAELP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000247089384 537080013 /nfs/dbraw/zinc/08/00/13/537080013.db2.gz ICLZQJZICXTWPK-RDJZCZTQSA-N 2 2 359.474 1.296 10 0 FDAELP C[C@H]([NH2+]CCNS(=O)(=O)c1cnn(C)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189885105 537110310 /nfs/dbraw/zinc/11/03/10/537110310.db2.gz KSNZRBDRBSPVHS-AWEZNQCLSA-N 2 2 374.470 1.235 10 0 FDAELP C[C@H]1CCN(C(=O)NC[C@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000247411766 537117281 /nfs/dbraw/zinc/11/72/81/537117281.db2.gz IXVOFYRBQWFNQP-HKUYNNGSSA-N 2 2 360.502 1.623 10 0 FDAELP C[C@H]1CCN(C(=O)NC[C@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1ccccc1 ZINC000247411766 537117285 /nfs/dbraw/zinc/11/72/85/537117285.db2.gz IXVOFYRBQWFNQP-HKUYNNGSSA-N 2 2 360.502 1.623 10 0 FDAELP C[C@H]1CCN(C(=O)NC[C@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1ccccc1 ZINC000247411766 537117288 /nfs/dbraw/zinc/11/72/88/537117288.db2.gz IXVOFYRBQWFNQP-HKUYNNGSSA-N 2 2 360.502 1.623 10 0 FDAELP C[C@H]1CCN(C(=O)NC[C@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1ccccc1 ZINC000247411766 537117290 /nfs/dbraw/zinc/11/72/90/537117290.db2.gz IXVOFYRBQWFNQP-HKUYNNGSSA-N 2 2 360.502 1.623 10 0 FDAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](C[C@@H](O)c3ccccc3F)CC2)C1 ZINC000247813221 537152385 /nfs/dbraw/zinc/15/23/85/537152385.db2.gz VMTLCCBMQVCLBY-FXAWDEMLSA-N 2 2 365.493 1.586 10 0 FDAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](C[C@@H](O)c3ccccc3F)CC2)C1 ZINC000247813221 537152388 /nfs/dbraw/zinc/15/23/88/537152388.db2.gz VMTLCCBMQVCLBY-FXAWDEMLSA-N 2 2 365.493 1.586 10 0 FDAELP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)NC[C@H]1C[NH+](C)CCO1)C1CC1 ZINC000248507488 537189224 /nfs/dbraw/zinc/18/92/24/537189224.db2.gz YQKNKEHQCSFNDU-RBUKOAKNSA-N 2 2 360.502 1.527 10 0 FDAELP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)NC[C@H]1C[NH+](C)CCO1)C1CC1 ZINC000248507488 537189227 /nfs/dbraw/zinc/18/92/27/537189227.db2.gz YQKNKEHQCSFNDU-RBUKOAKNSA-N 2 2 360.502 1.527 10 0 FDAELP C[NH+](Cc1ccccc1)[C@H](CNC(=O)NC[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC000248507488 537189230 /nfs/dbraw/zinc/18/92/30/537189230.db2.gz YQKNKEHQCSFNDU-RBUKOAKNSA-N 2 2 360.502 1.527 10 0 FDAELP C[NH+](Cc1ccccc1)[C@H](CNC(=O)NC[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC000248507488 537189233 /nfs/dbraw/zinc/18/92/33/537189233.db2.gz YQKNKEHQCSFNDU-RBUKOAKNSA-N 2 2 360.502 1.527 10 0 FDAELP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)C[C@@H](C)O1 ZINC000248645621 537200625 /nfs/dbraw/zinc/20/06/25/537200625.db2.gz GKBZIWQWPXWRAE-LMMKCTJWSA-N 2 2 360.502 1.471 10 0 FDAELP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)C[C@@H](C)O1 ZINC000248645621 537200628 /nfs/dbraw/zinc/20/06/28/537200628.db2.gz GKBZIWQWPXWRAE-LMMKCTJWSA-N 2 2 360.502 1.471 10 0 FDAELP C[C@@H]1CN(C(=O)C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)C[C@@H](C)O1 ZINC000248645621 537200632 /nfs/dbraw/zinc/20/06/32/537200632.db2.gz GKBZIWQWPXWRAE-LMMKCTJWSA-N 2 2 360.502 1.471 10 0 FDAELP CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000249752831 537242287 /nfs/dbraw/zinc/24/22/87/537242287.db2.gz FIYAEVMMEQCFNE-RTBURBONSA-N 2 2 360.502 1.843 10 0 FDAELP CC[N@H+]1CCC[C@@H](NC(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000249752831 537242289 /nfs/dbraw/zinc/24/22/89/537242289.db2.gz FIYAEVMMEQCFNE-RTBURBONSA-N 2 2 360.502 1.843 10 0 FDAELP C[NH+]1CCN(c2cnn([C@H]3CCC[N@H+](Cc4ccncc4)C3)c(=O)c2)CC1 ZINC000328606447 571323921 /nfs/dbraw/zinc/32/39/21/571323921.db2.gz RPCHBPJBQKCSGE-SFHVURJKSA-N 2 2 368.485 1.227 10 0 FDAELP C[NH+]1CCN(c2cnn([C@H]3CCC[N@@H+](Cc4ccncc4)C3)c(=O)c2)CC1 ZINC000328606447 571323922 /nfs/dbraw/zinc/32/39/22/571323922.db2.gz RPCHBPJBQKCSGE-SFHVURJKSA-N 2 2 368.485 1.227 10 0 FDAELP O=C(CN1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1)Nc1ccc(Cl)cc1 ZINC000262035757 672715826 /nfs/dbraw/zinc/71/58/26/672715826.db2.gz XRIDPTAZRMIWPQ-OAHLLOKOSA-N 2 2 350.894 1.896 10 0 FDAELP C[C@H]1OCC[NH2+][C@@H]1C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000262089169 672723591 /nfs/dbraw/zinc/72/35/91/672723591.db2.gz CVGJENWFQGYZMP-CVEARBPZSA-N 2 2 353.507 1.293 10 0 FDAELP C[C@H]1OCC[NH2+][C@@H]1C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000262089169 672723597 /nfs/dbraw/zinc/72/35/97/672723597.db2.gz CVGJENWFQGYZMP-CVEARBPZSA-N 2 2 353.507 1.293 10 0 FDAELP CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195267005 178251920 /nfs/dbraw/zinc/25/19/20/178251920.db2.gz CJKIVYZGDQVRJA-ZDUSSCGKSA-N 2 2 353.492 1.051 10 0 FDAELP CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195267005 178251924 /nfs/dbraw/zinc/25/19/24/178251924.db2.gz CJKIVYZGDQVRJA-ZDUSSCGKSA-N 2 2 353.492 1.051 10 0 FDAELP CCNC(=O)NC(=O)C[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195267005 178251927 /nfs/dbraw/zinc/25/19/27/178251927.db2.gz CJKIVYZGDQVRJA-ZDUSSCGKSA-N 2 2 353.492 1.051 10 0 FDAELP CCNC(=O)NC(=O)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000195267005 178251930 /nfs/dbraw/zinc/25/19/30/178251930.db2.gz CJKIVYZGDQVRJA-ZDUSSCGKSA-N 2 2 353.492 1.051 10 0 FDAELP c1ccc(C[NH+]2CCOCC2)c(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000261939885 178646842 /nfs/dbraw/zinc/64/68/42/178646842.db2.gz MRIVFHRPPWUMNL-NJYVYQBISA-N 3 2 359.514 1.766 10 0 FDAELP COc1cccc2c1CC[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C)C2 ZINC000284645393 182561229 /nfs/dbraw/zinc/56/12/29/182561229.db2.gz OZVMRBAXLDUUDB-YYFZDKIDSA-N 2 2 354.454 1.896 10 0 FDAELP C[NH+]1CCN(Nc2[nH+]cnc(Nc3cccc4cccnc43)c2N)CC1 ZINC000040756836 208269228 /nfs/dbraw/zinc/26/92/28/208269228.db2.gz ZVTHGSVMYDSZED-UHFFFAOYSA-N 2 2 350.430 1.925 10 0 FDAELP Cc1ncsc1CC[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000172535616 258278420 /nfs/dbraw/zinc/27/84/20/258278420.db2.gz BWFSRELWMKLENQ-KRWDZBQOSA-N 2 2 352.548 1.721 10 0 FDAELP Cc1ncsc1CC[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000172535616 258278421 /nfs/dbraw/zinc/27/84/21/258278421.db2.gz BWFSRELWMKLENQ-KRWDZBQOSA-N 2 2 352.548 1.721 10 0 FDAELP CC(C)[C@@H](C(=O)N1CC[C@H]([NH+]2CCOCC2)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000172764236 258284257 /nfs/dbraw/zinc/28/42/57/258284257.db2.gz CDUZIFUOEJMOGA-BDXSIMOUSA-N 2 2 353.507 1.053 10 0 FDAELP C[C@H](NC(=O)N1CCO[C@H](C[NH+](C)C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173452750 258299750 /nfs/dbraw/zinc/29/97/50/258299750.db2.gz NHEISQBAKLNVNN-MAUKXSAKSA-N 2 2 357.458 1.905 10 0 FDAELP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)NC[C@@H](C)[NH+]3CCOCC3)c2C1 ZINC000067497067 172010913 /nfs/dbraw/zinc/01/09/13/172010913.db2.gz XEHAMNUCCNCJSM-OAHLLOKOSA-N 2 2 374.485 1.188 10 0 FDAELP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)NC[C@@H](C)[NH+]3CCOCC3)c2C1 ZINC000067497067 172010914 /nfs/dbraw/zinc/01/09/14/172010914.db2.gz XEHAMNUCCNCJSM-OAHLLOKOSA-N 2 2 374.485 1.188 10 0 FDAELP C[C@@H]1C[N@@H+](C2CC[NH+](CCC(=O)NC(=O)Nc3ccccc3)CC2)CCO1 ZINC000079490711 172162666 /nfs/dbraw/zinc/16/26/66/172162666.db2.gz KQNIYLJXRUGDRK-MRXNPFEDSA-N 2 2 374.485 1.910 10 0 FDAELP C[C@@H]1C[N@H+](C2CC[NH+](CCC(=O)NC(=O)Nc3ccccc3)CC2)CCO1 ZINC000079490711 172162667 /nfs/dbraw/zinc/16/26/67/172162667.db2.gz KQNIYLJXRUGDRK-MRXNPFEDSA-N 2 2 374.485 1.910 10 0 FDAELP CCC[C@@H](C(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1)[NH+](C)C ZINC000128383461 173109290 /nfs/dbraw/zinc/10/92/90/173109290.db2.gz YWOMNFWRWJNEMG-SFHVURJKSA-N 2 2 360.502 1.177 10 0 FDAELP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000176906178 174094125 /nfs/dbraw/zinc/09/41/25/174094125.db2.gz XTIIQSABAZLSQK-OAHLLOKOSA-N 2 2 356.430 1.149 10 0 FDAELP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000176906178 174094127 /nfs/dbraw/zinc/09/41/27/174094127.db2.gz XTIIQSABAZLSQK-OAHLLOKOSA-N 2 2 356.430 1.149 10 0 FDAELP CCN(CC)c1ccc(CNC(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)c[nH+]1 ZINC000180754247 258374438 /nfs/dbraw/zinc/37/44/38/258374438.db2.gz NDVFEBOARCZDRD-JKSUJKDBSA-N 2 2 363.506 1.524 10 0 FDAELP CCN(CC)c1ccc(CNC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)c[nH+]1 ZINC000180754247 258374439 /nfs/dbraw/zinc/37/44/39/258374439.db2.gz NDVFEBOARCZDRD-JKSUJKDBSA-N 2 2 363.506 1.524 10 0 FDAELP c1nn(-c2ccccc2)cc1C[NH+]1CCN(CCC[NH+]2CCOCC2)CC1 ZINC000173685402 258307352 /nfs/dbraw/zinc/30/73/52/258307352.db2.gz HLZPDYLVYVQTNY-UHFFFAOYSA-N 2 2 369.513 1.712 10 0 FDAELP O=C(NCc1cccc(C[NH+]2CCCC2)c1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173775339 258310429 /nfs/dbraw/zinc/31/04/29/258310429.db2.gz GDIZHRNGLZLVCW-FQEVSTJZSA-N 2 2 372.513 1.899 10 0 FDAELP CCc1ccc([C@H](CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)[NH+](C)C)cc1 ZINC000173785822 258310916 /nfs/dbraw/zinc/31/09/16/258310916.db2.gz VZKJHWJCOUHTLV-UXHICEINSA-N 2 2 374.529 1.968 10 0 FDAELP O=C(C[N@@H+]1CCC[C@@H](c2nnc[nH]2)C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000333346031 259337231 /nfs/dbraw/zinc/33/72/31/259337231.db2.gz UREARYXYLKRJQU-MRXNPFEDSA-N 2 2 374.514 1.390 10 0 FDAELP O=C(C[N@H+]1CCC[C@@H](c2nnc[nH]2)C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000333346031 259337232 /nfs/dbraw/zinc/33/72/32/259337232.db2.gz UREARYXYLKRJQU-MRXNPFEDSA-N 2 2 374.514 1.390 10 0 FDAELP C[N@@H+]1CCO[C@@H](CNC(=O)Nc2ccc3c(c2)CN(CC(N)=O)CC3)C1 ZINC000333468240 259350984 /nfs/dbraw/zinc/35/09/84/259350984.db2.gz QQMRHJFGGJAHEI-INIZCTEOSA-N 2 2 361.446 1.032 10 0 FDAELP C[N@H+]1CCO[C@@H](CNC(=O)Nc2ccc3c(c2)CN(CC(N)=O)CC3)C1 ZINC000333468240 259350985 /nfs/dbraw/zinc/35/09/85/259350985.db2.gz QQMRHJFGGJAHEI-INIZCTEOSA-N 2 2 361.446 1.032 10 0 FDAELP C[N@@H+]1CCO[C@@H](CNC(=O)Nc2ccc3c(c2)C[NH+](CC(N)=O)CC3)C1 ZINC000333468240 259350986 /nfs/dbraw/zinc/35/09/86/259350986.db2.gz QQMRHJFGGJAHEI-INIZCTEOSA-N 2 2 361.446 1.032 10 0 FDAELP C[N@H+]1CCO[C@@H](CNC(=O)Nc2ccc3c(c2)C[NH+](CC(N)=O)CC3)C1 ZINC000333468240 259350987 /nfs/dbraw/zinc/35/09/87/259350987.db2.gz QQMRHJFGGJAHEI-INIZCTEOSA-N 2 2 361.446 1.032 10 0 FDAELP C[NH+]1CCO[C@@H](CNC(=O)Nc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)C1 ZINC000333468240 259350988 /nfs/dbraw/zinc/35/09/88/259350988.db2.gz QQMRHJFGGJAHEI-INIZCTEOSA-N 2 2 361.446 1.032 10 0 FDAELP C[NH+]1CCO[C@@H](CNC(=O)Nc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)C1 ZINC000333468240 259350989 /nfs/dbraw/zinc/35/09/89/259350989.db2.gz QQMRHJFGGJAHEI-INIZCTEOSA-N 2 2 361.446 1.032 10 0 FDAELP CCOc1c(C[NH2+]CCC[NH2+]CCO)cc(Br)cc1OC ZINC000013733292 518667024 /nfs/dbraw/zinc/66/70/24/518667024.db2.gz XEDITAVSBQYWKJ-UHFFFAOYSA-N 2 2 361.280 1.918 10 0 FDAELP C[C@H](CNC(=O)N1CC[NH+](CC2CCCCC2)CC1)[NH+]1CCOCC1 ZINC000065448004 522823058 /nfs/dbraw/zinc/82/30/58/522823058.db2.gz NNIMWWCEDLLKQX-QGZVFWFLSA-N 2 2 352.523 1.615 10 0 FDAELP Nc1nc(NCC[N@@H+]2CCc3ccccc3C2)cc(N2CCOCC2)[nH+]1 ZINC000065531873 522835435 /nfs/dbraw/zinc/83/54/35/522835435.db2.gz ZFJQKRRPDCXRIC-UHFFFAOYSA-N 2 2 354.458 1.366 10 0 FDAELP Nc1nc(NCC[N@H+]2CCc3ccccc3C2)cc(N2CCOCC2)[nH+]1 ZINC000065531873 522835446 /nfs/dbraw/zinc/83/54/46/522835446.db2.gz ZFJQKRRPDCXRIC-UHFFFAOYSA-N 2 2 354.458 1.366 10 0 FDAELP CC(C)CC[NH+]1CCC(CNC(=O)NC[C@H](C)[NH+]2CCOCC2)CC1 ZINC000080071964 523828625 /nfs/dbraw/zinc/82/86/25/523828625.db2.gz HUGLDDIFXWLUCA-KRWDZBQOSA-N 2 2 354.539 1.764 10 0 FDAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](Cc3cc(C(N)=O)cs3)CC2)C1 ZINC000121067319 524141493 /nfs/dbraw/zinc/14/14/93/524141493.db2.gz QOKYPJTWAIJFGL-INIZCTEOSA-N 2 2 366.531 1.074 10 0 FDAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](Cc3cc(C(N)=O)cs3)CC2)C1 ZINC000121067319 524141500 /nfs/dbraw/zinc/14/15/00/524141500.db2.gz QOKYPJTWAIJFGL-INIZCTEOSA-N 2 2 366.531 1.074 10 0 FDAELP COc1cc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)ccc1S(C)(=O)=O ZINC000151291827 524549764 /nfs/dbraw/zinc/54/97/64/524549764.db2.gz GRJFMKQVHACNFF-GDBMZVCRSA-N 2 2 370.515 1.596 10 0 FDAELP CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000174629780 524661456 /nfs/dbraw/zinc/66/14/56/524661456.db2.gz SZUZMANWGAJXII-GJZGRUSLSA-N 2 2 363.510 1.517 10 0 FDAELP CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000174629780 524661462 /nfs/dbraw/zinc/66/14/62/524661462.db2.gz SZUZMANWGAJXII-GJZGRUSLSA-N 2 2 363.510 1.517 10 0 FDAELP CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000174629780 524661470 /nfs/dbraw/zinc/66/14/70/524661470.db2.gz SZUZMANWGAJXII-GJZGRUSLSA-N 2 2 363.510 1.517 10 0 FDAELP CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000174629780 524661477 /nfs/dbraw/zinc/66/14/77/524661477.db2.gz SZUZMANWGAJXII-GJZGRUSLSA-N 2 2 363.510 1.517 10 0 FDAELP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000152221875 524816104 /nfs/dbraw/zinc/81/61/04/524816104.db2.gz GDUYLVUFGBNFHI-QGZVFWFLSA-N 2 2 363.506 1.904 10 0 FDAELP CNc1cc(N2CCC[C@@H]2CNC(=O)N(C)CCCn2cc[nH+]c2)nc[nH+]1 ZINC000153399785 525200572 /nfs/dbraw/zinc/20/05/72/525200572.db2.gz PVWHLXPJQNVDKK-OAHLLOKOSA-N 2 2 372.477 1.415 10 0 FDAELP CC[C@@H]1CN(C(=O)NCCCNc2ccc(C)c[nH+]2)CC[N@@H+]1CCOC ZINC000117479269 525346485 /nfs/dbraw/zinc/34/64/85/525346485.db2.gz MEWVQLLXDZMZQM-QGZVFWFLSA-N 2 2 363.506 1.944 10 0 FDAELP CC[C@@H]1CN(C(=O)NCCCNc2ccc(C)c[nH+]2)CC[N@H+]1CCOC ZINC000117479269 525346496 /nfs/dbraw/zinc/34/64/96/525346496.db2.gz MEWVQLLXDZMZQM-QGZVFWFLSA-N 2 2 363.506 1.944 10 0 FDAELP C[NH+](C)CCN(Cc1ccccc1F)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000105281266 525485448 /nfs/dbraw/zinc/48/54/48/525485448.db2.gz MPSSMHAUWYYCGU-MRXNPFEDSA-N 2 2 352.454 1.230 10 0 FDAELP C[NH+](C)CCN(Cc1ccccc1F)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000105281266 525485457 /nfs/dbraw/zinc/48/54/57/525485457.db2.gz MPSSMHAUWYYCGU-MRXNPFEDSA-N 2 2 352.454 1.230 10 0 FDAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](CCOCC(F)(F)F)CC2)C1 ZINC000106120808 525614548 /nfs/dbraw/zinc/61/45/48/525614548.db2.gz SXIUERRYNUZSOO-HNNXBMFYSA-N 2 2 353.429 1.292 10 0 FDAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](CCOCC(F)(F)F)CC2)C1 ZINC000106120808 525614558 /nfs/dbraw/zinc/61/45/58/525614558.db2.gz SXIUERRYNUZSOO-HNNXBMFYSA-N 2 2 353.429 1.292 10 0 FDAELP O=C(C[NH+]1CCC(Cn2cccn2)CC1)N1CC[NH+](Cc2ccco2)CC1 ZINC000106183047 525657512 /nfs/dbraw/zinc/65/75/12/525657512.db2.gz HPMFRYKEVFFKSF-UHFFFAOYSA-N 2 2 371.485 1.533 10 0 FDAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)N2CCC3(CC2)OCCO3)C1 ZINC000106212669 525673267 /nfs/dbraw/zinc/67/32/67/525673267.db2.gz XDHPPQKSNFPCJV-INIZCTEOSA-N 2 2 362.474 1.448 10 0 FDAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)N2CCC3(CC2)OCCO3)C1 ZINC000106212669 525673272 /nfs/dbraw/zinc/67/32/72/525673272.db2.gz XDHPPQKSNFPCJV-INIZCTEOSA-N 2 2 362.474 1.448 10 0 FDAELP Cn1cc([C@@H]2CCC[N@@H+]2CC(=O)N2CC[NH+](Cc3cccs3)CC2)cn1 ZINC000171504464 526016659 /nfs/dbraw/zinc/01/66/59/526016659.db2.gz KFESVXXDJIFRRW-SFHVURJKSA-N 2 2 373.526 1.963 10 0 FDAELP Cn1cc([C@@H]2CCC[N@H+]2CC(=O)N2CC[NH+](Cc3cccs3)CC2)cn1 ZINC000171504464 526016661 /nfs/dbraw/zinc/01/66/61/526016661.db2.gz KFESVXXDJIFRRW-SFHVURJKSA-N 2 2 373.526 1.963 10 0 FDAELP C[C@@H](C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000171867246 526159022 /nfs/dbraw/zinc/15/90/22/526159022.db2.gz YOAGSOOCBCWSPY-QFBILLFUSA-N 2 2 360.477 1.643 10 0 FDAELP C[C@@H](C(=O)N1CC[N@H+]2CCC[C@@H]2C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000171867246 526159030 /nfs/dbraw/zinc/15/90/30/526159030.db2.gz YOAGSOOCBCWSPY-QFBILLFUSA-N 2 2 360.477 1.643 10 0 FDAELP CCCC[N@@H+]1CCOC[C@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000184189743 536111328 /nfs/dbraw/zinc/11/13/28/536111328.db2.gz PCGLTBJCDDVMNO-IBGZPJMESA-N 2 2 360.502 1.878 10 0 FDAELP CCCC[N@H+]1CCOC[C@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000184189743 536111333 /nfs/dbraw/zinc/11/13/33/536111333.db2.gz PCGLTBJCDDVMNO-IBGZPJMESA-N 2 2 360.502 1.878 10 0 FDAELP CC[C@@H]1CN(C(=O)NCCn2c(C)[nH+]c3ccccc32)CC[N@@H+]1C[C@@H](C)O ZINC000184742887 536180935 /nfs/dbraw/zinc/18/09/35/536180935.db2.gz JLTRIZZXKAXXEY-NVXWUHKLSA-N 2 2 373.501 1.831 10 0 FDAELP CC[C@@H]1CN(C(=O)NCCn2c(C)[nH+]c3ccccc32)CC[N@H+]1C[C@@H](C)O ZINC000184742887 536180939 /nfs/dbraw/zinc/18/09/39/536180939.db2.gz JLTRIZZXKAXXEY-NVXWUHKLSA-N 2 2 373.501 1.831 10 0 FDAELP Cn1cc([C@@H]2CCC[N@@H+]2CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cn1 ZINC000184964953 536194379 /nfs/dbraw/zinc/19/43/79/536194379.db2.gz BRXFMRQKHPQIAX-OALUTQOASA-N 2 2 355.486 1.976 10 0 FDAELP Cn1cc([C@@H]2CCC[N@H+]2CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cn1 ZINC000184964953 536194380 /nfs/dbraw/zinc/19/43/80/536194380.db2.gz BRXFMRQKHPQIAX-OALUTQOASA-N 2 2 355.486 1.976 10 0 FDAELP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1c(F)ccc(I)c1F ZINC000263127973 536978600 /nfs/dbraw/zinc/97/86/00/536978600.db2.gz BJXUBBZWUWZLNX-CPCISQLKSA-N 2 2 368.165 1.239 10 0 FDAELP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000263131065 536979034 /nfs/dbraw/zinc/97/90/34/536979034.db2.gz BSAVLUSDSZXRNI-FZMZJTMJSA-N 2 2 351.248 1.509 10 0 FDAELP Cc1ccc(N2CCC(C(=O)N3CC[N@@H+](C[C@H](C)O)[C@H](C)C3)CC2)[nH+]c1 ZINC000246620367 536992137 /nfs/dbraw/zinc/99/21/37/536992137.db2.gz CZORZSXKKLRVHW-SJORKVTESA-N 2 2 360.502 1.520 10 0 FDAELP Cc1ccc(N2CCC(C(=O)N3CC[N@H+](C[C@H](C)O)[C@H](C)C3)CC2)[nH+]c1 ZINC000246620367 536992139 /nfs/dbraw/zinc/99/21/39/536992139.db2.gz CZORZSXKKLRVHW-SJORKVTESA-N 2 2 360.502 1.520 10 0 FDAELP O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263229064 536996673 /nfs/dbraw/zinc/99/66/73/536996673.db2.gz NEMRUEMFAOTRIP-HNNXBMFYSA-N 2 2 372.847 1.575 10 0 FDAELP CC1(C)C[N@@H+]([C@H](CNC(=O)C2C[NH2+]C2)c2ccc(Cl)cc2)CCO1 ZINC000263317665 537016939 /nfs/dbraw/zinc/01/69/39/537016939.db2.gz QQYAFXLUZJKSMH-MRXNPFEDSA-N 2 2 351.878 1.828 10 0 FDAELP CC1(C)C[N@H+]([C@H](CNC(=O)C2C[NH2+]C2)c2ccc(Cl)cc2)CCO1 ZINC000263317665 537016944 /nfs/dbraw/zinc/01/69/44/537016944.db2.gz QQYAFXLUZJKSMH-MRXNPFEDSA-N 2 2 351.878 1.828 10 0 FDAELP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000246829508 537035758 /nfs/dbraw/zinc/03/57/58/537035758.db2.gz CIOQHBINXCDGLG-IAGOWNOFSA-N 2 2 368.485 1.342 10 0 FDAELP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000246829508 537035759 /nfs/dbraw/zinc/03/57/59/537035759.db2.gz CIOQHBINXCDGLG-IAGOWNOFSA-N 2 2 368.485 1.342 10 0 FDAELP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000247131400 537085491 /nfs/dbraw/zinc/08/54/91/537085491.db2.gz JLRGVGPZTMSOHT-WBVHZDCISA-N 2 2 359.474 1.296 10 0 FDAELP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000247131400 537085494 /nfs/dbraw/zinc/08/54/94/537085494.db2.gz JLRGVGPZTMSOHT-WBVHZDCISA-N 2 2 359.474 1.296 10 0 FDAELP COCC[N@@H+]1CCN(C(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)C[C@@H]1C ZINC000247148184 537087341 /nfs/dbraw/zinc/08/73/41/537087341.db2.gz PUARVTFRRMHSOE-ICSRJNTNSA-N 2 2 374.529 1.154 10 0 FDAELP COCC[N@H+]1CCN(C(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)C[C@@H]1C ZINC000247148184 537087342 /nfs/dbraw/zinc/08/73/42/537087342.db2.gz PUARVTFRRMHSOE-ICSRJNTNSA-N 2 2 374.529 1.154 10 0 FDAELP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000247217509 537095781 /nfs/dbraw/zinc/09/57/81/537095781.db2.gz MFOJKEHTNOTTGI-HOJAQTOUSA-N 2 2 372.513 1.938 10 0 FDAELP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000247217509 537095785 /nfs/dbraw/zinc/09/57/85/537095785.db2.gz MFOJKEHTNOTTGI-HOJAQTOUSA-N 2 2 372.513 1.938 10 0 FDAELP O=C(NC[C@H](c1ccccc1)[NH+]1CCOCC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247370977 537114657 /nfs/dbraw/zinc/11/46/57/537114657.db2.gz FBROZUMADMKULZ-RBUKOAKNSA-N 2 2 358.486 1.550 10 0 FDAELP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000190076462 537135760 /nfs/dbraw/zinc/13/57/60/537135760.db2.gz CZEAADWJYQUEPF-WMLDXEAASA-N 2 2 367.453 1.721 10 0 FDAELP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000190076462 537135762 /nfs/dbraw/zinc/13/57/62/537135762.db2.gz CZEAADWJYQUEPF-WMLDXEAASA-N 2 2 367.453 1.721 10 0 FDAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](C[C@@H](O)c3ccc(F)cc3)CC2)C1 ZINC000247881709 537156028 /nfs/dbraw/zinc/15/60/28/537156028.db2.gz ZKSLCDSLDCHJPA-VQTJNVASSA-N 2 2 365.493 1.586 10 0 FDAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](C[C@@H](O)c3ccc(F)cc3)CC2)C1 ZINC000247881709 537156030 /nfs/dbraw/zinc/15/60/30/537156030.db2.gz ZKSLCDSLDCHJPA-VQTJNVASSA-N 2 2 365.493 1.586 10 0 FDAELP C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C[C@H]1C ZINC000248568213 537192743 /nfs/dbraw/zinc/19/27/43/537192743.db2.gz CCTJCCMTRWVZSH-SJORKVTESA-N 2 2 371.485 1.528 10 0 FDAELP C[C@H](O)C[N@H+]1CCN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C[C@H]1C ZINC000248568213 537192744 /nfs/dbraw/zinc/19/27/44/537192744.db2.gz CCTJCCMTRWVZSH-SJORKVTESA-N 2 2 371.485 1.528 10 0 FDAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](C[C@H]3CC4(CCC4)C(=O)O3)CC2)C1 ZINC000248837003 537215202 /nfs/dbraw/zinc/21/52/02/537215202.db2.gz KEKABKIQUOTIEJ-QZTJIDSGSA-N 2 2 365.518 1.199 10 0 FDAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](C[C@H]3CC4(CCC4)C(=O)O3)CC2)C1 ZINC000248837003 537215204 /nfs/dbraw/zinc/21/52/04/537215204.db2.gz KEKABKIQUOTIEJ-QZTJIDSGSA-N 2 2 365.518 1.199 10 0 FDAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)CN2CCOCC2)C1 ZINC000195262897 537382634 /nfs/dbraw/zinc/38/26/34/537382634.db2.gz WZCJYNMCWJCCEB-DOTOQJQBSA-N 2 2 352.548 1.926 10 0 FDAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)CN2CCOCC2)C1 ZINC000195262897 537382638 /nfs/dbraw/zinc/38/26/38/537382638.db2.gz WZCJYNMCWJCCEB-DOTOQJQBSA-N 2 2 352.548 1.926 10 0 FDAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)CN2CCOCC2)C1 ZINC000195262897 537382641 /nfs/dbraw/zinc/38/26/41/537382641.db2.gz WZCJYNMCWJCCEB-DOTOQJQBSA-N 2 2 352.548 1.926 10 0 FDAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)CN2CCOCC2)C1 ZINC000195262897 537382645 /nfs/dbraw/zinc/38/26/45/537382645.db2.gz WZCJYNMCWJCCEB-DOTOQJQBSA-N 2 2 352.548 1.926 10 0 FDAELP Cn1cncc1[C@H]1[C@H](CNC(=O)c2cccc3[nH+]ccn32)CCC[N@@H+]1C ZINC000583621150 551377997 /nfs/dbraw/zinc/37/79/97/551377997.db2.gz FJTWCRWTZVHMLD-KBXCAEBGSA-N 2 2 352.442 1.881 10 0 FDAELP Cn1cncc1[C@H]1[C@H](CNC(=O)c2cccc3[nH+]ccn32)CCC[N@H+]1C ZINC000583621150 551378000 /nfs/dbraw/zinc/37/80/00/551378000.db2.gz FJTWCRWTZVHMLD-KBXCAEBGSA-N 2 2 352.442 1.881 10 0 FDAELP CCn1cc(O[C@@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@H]2O)cn1 ZINC000625620168 556878695 /nfs/dbraw/zinc/87/86/95/556878695.db2.gz ORCXUUGHEVMGOB-RTBURBONSA-N 2 2 353.426 1.713 10 0 FDAELP CCn1cc(O[C@@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@H]2O)cn1 ZINC000625620168 556878696 /nfs/dbraw/zinc/87/86/96/556878696.db2.gz ORCXUUGHEVMGOB-RTBURBONSA-N 2 2 353.426 1.713 10 0 FDAELP C[C@H](CNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCOCC1 ZINC000194012948 178194385 /nfs/dbraw/zinc/19/43/85/178194385.db2.gz JZASLHQTINJYPC-MJGOQNOKSA-N 2 2 360.502 1.528 10 0 FDAELP C[C@H](CNC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCOCC1 ZINC000194012948 178194387 /nfs/dbraw/zinc/19/43/87/178194387.db2.gz JZASLHQTINJYPC-MJGOQNOKSA-N 2 2 360.502 1.528 10 0 FDAELP CCC(CC)[C@@H](C(=O)N1CC[C@H]([NH+]2CCOCC2)C1)[NH+]1CCOCC1 ZINC000172765384 258284581 /nfs/dbraw/zinc/28/45/81/258284581.db2.gz ZHOYNJOCWDXAQI-ROUUACIJSA-N 2 2 353.507 1.057 10 0 FDAELP Cc1ccc2[nH]c(C[NH+]3CCN(c4cc(C)[nH+]c(N)n4)CC3)cc(=O)c2c1 ZINC000091694604 132203269 /nfs/dbraw/zinc/20/32/69/132203269.db2.gz BQAHRTISMIQEHQ-UHFFFAOYSA-N 2 2 364.453 1.839 10 0 FDAELP CCNc1[nH+]cnc(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c1N ZINC000040707512 136119825 /nfs/dbraw/zinc/11/98/25/136119825.db2.gz XRNJZQITLLFXOY-UHFFFAOYSA-N 2 2 356.430 1.542 10 0 FDAELP O=C([C@@H]1CCCC[N@@H+]1Cc1ccccc1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173329129 258296240 /nfs/dbraw/zinc/29/62/40/258296240.db2.gz NXEYLEJSHAEUFC-PMACEKPBSA-N 2 2 357.498 1.974 10 0 FDAELP O=C([C@@H]1CCCC[N@H+]1Cc1ccccc1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173329129 258296241 /nfs/dbraw/zinc/29/62/41/258296241.db2.gz NXEYLEJSHAEUFC-PMACEKPBSA-N 2 2 357.498 1.974 10 0 FDAELP CNc1cc(N2CCC[C@H]2CNC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)nc[nH+]1 ZINC000173423755 258299258 /nfs/dbraw/zinc/29/92/58/258299258.db2.gz QVTPBBJNBOURHX-HOTGVXAUSA-N 2 2 371.489 1.143 10 0 FDAELP CNc1cc(N2CCC[C@H]2CNC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)[nH+]cn1 ZINC000173423755 258299259 /nfs/dbraw/zinc/29/92/59/258299259.db2.gz QVTPBBJNBOURHX-HOTGVXAUSA-N 2 2 371.489 1.143 10 0 FDAELP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000173470805 258300152 /nfs/dbraw/zinc/30/01/52/258300152.db2.gz RURAZVIMPKVGEJ-QZTJIDSGSA-N 2 2 357.502 1.289 10 0 FDAELP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000173470805 258300153 /nfs/dbraw/zinc/30/01/53/258300153.db2.gz RURAZVIMPKVGEJ-QZTJIDSGSA-N 2 2 357.502 1.289 10 0 FDAELP C[C@@H]1C[N@@H+](C2CCN(C(=O)NCc3ccc[nH+]c3N(C)C)CC2)CCO1 ZINC000079599292 172164184 /nfs/dbraw/zinc/16/41/84/172164184.db2.gz XDBKQDUDSGXXFU-OAHLLOKOSA-N 2 2 361.490 1.542 10 0 FDAELP C[C@@H]1C[N@H+](C2CCN(C(=O)NCc3ccc[nH+]c3N(C)C)CC2)CCO1 ZINC000079599292 172164186 /nfs/dbraw/zinc/16/41/86/172164186.db2.gz XDBKQDUDSGXXFU-OAHLLOKOSA-N 2 2 361.490 1.542 10 0 FDAELP C[NH+]1CCC(CNC(=O)N[C@H]2CCCC[C@H]2CO)([NH+]2CCCCC2)CC1 ZINC000081502801 172190923 /nfs/dbraw/zinc/19/09/23/172190923.db2.gz DGLMGBPZJABVEA-ROUUACIJSA-N 2 2 366.550 1.787 10 0 FDAELP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000092930266 172309746 /nfs/dbraw/zinc/30/97/46/172309746.db2.gz XMRDTFGBZNHAPM-HOCLYGCPSA-N 2 2 359.474 1.927 10 0 FDAELP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000092930266 172309748 /nfs/dbraw/zinc/30/97/48/172309748.db2.gz XMRDTFGBZNHAPM-HOCLYGCPSA-N 2 2 359.474 1.927 10 0 FDAELP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)NC[C@@H]2C[NH+](C)CCO2)CC1 ZINC000104797377 172386665 /nfs/dbraw/zinc/38/66/65/172386665.db2.gz ZXBTWVJIODOCJZ-HXUWFJFHSA-N 2 2 374.529 1.871 10 0 FDAELP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)NC[C@@H]2C[NH+](C)CCO2)CC1 ZINC000104797377 172386667 /nfs/dbraw/zinc/38/66/67/172386667.db2.gz ZXBTWVJIODOCJZ-HXUWFJFHSA-N 2 2 374.529 1.871 10 0 FDAELP C[NH+](Cc1ccccc1)CC1CCN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000104797377 172386669 /nfs/dbraw/zinc/38/66/69/172386669.db2.gz ZXBTWVJIODOCJZ-HXUWFJFHSA-N 2 2 374.529 1.871 10 0 FDAELP C[NH+](Cc1ccccc1)CC1CCN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000104797377 172386671 /nfs/dbraw/zinc/38/66/71/172386671.db2.gz ZXBTWVJIODOCJZ-HXUWFJFHSA-N 2 2 374.529 1.871 10 0 FDAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000128326725 173107357 /nfs/dbraw/zinc/10/73/57/173107357.db2.gz BOTZRGDCQSVQRZ-HOJAQTOUSA-N 2 2 372.513 1.623 10 0 FDAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000128326725 173107360 /nfs/dbraw/zinc/10/73/60/173107360.db2.gz BOTZRGDCQSVQRZ-HOJAQTOUSA-N 2 2 372.513 1.623 10 0 FDAELP O[C@H](COCc1ccc(Cl)cc1)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129461051 173139713 /nfs/dbraw/zinc/13/97/13/173139713.db2.gz RNNSTIXLIFVHKT-MJGOQNOKSA-N 2 2 368.905 1.872 10 0 FDAELP O[C@H](COCc1ccc(Cl)cc1)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129461051 173139715 /nfs/dbraw/zinc/13/97/15/173139715.db2.gz RNNSTIXLIFVHKT-MJGOQNOKSA-N 2 2 368.905 1.872 10 0 FDAELP C[C@@H](O)C[N@@H+]1CCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)C[C@H]1C ZINC000180755946 258374599 /nfs/dbraw/zinc/37/45/99/258374599.db2.gz GSCNWDVFUVBEIJ-HZPDHXFCSA-N 2 2 361.490 1.147 10 0 FDAELP C[C@@H](O)C[N@H+]1CCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)C[C@H]1C ZINC000180755946 258374600 /nfs/dbraw/zinc/37/46/00/258374600.db2.gz GSCNWDVFUVBEIJ-HZPDHXFCSA-N 2 2 361.490 1.147 10 0 FDAELP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173779342 258310458 /nfs/dbraw/zinc/31/04/58/258310458.db2.gz DPWVXPASCAKDEC-PMACEKPBSA-N 2 2 372.513 1.940 10 0 FDAELP CCc1ccc([C@H](CNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)[NH+](C)C)cc1 ZINC000173785795 258310945 /nfs/dbraw/zinc/31/09/45/258310945.db2.gz VZKJHWJCOUHTLV-PMACEKPBSA-N 2 2 374.529 1.968 10 0 FDAELP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C[C@H]1[NH+]1CCOCC1 ZINC000173964754 258315823 /nfs/dbraw/zinc/31/58/23/258315823.db2.gz XGGHNJVWVKITEJ-RLLQIKCJSA-N 2 2 373.497 1.067 10 0 FDAELP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C[C@H]1[NH+]1CCOCC1 ZINC000173964754 258315824 /nfs/dbraw/zinc/31/58/24/258315824.db2.gz XGGHNJVWVKITEJ-RLLQIKCJSA-N 2 2 373.497 1.067 10 0 FDAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)C(=O)N2CCC(C)CC2)nc[nH+]1 ZINC000174286073 258322731 /nfs/dbraw/zinc/32/27/31/258322731.db2.gz SDUOGRIBJYVKLP-HZPDHXFCSA-N 2 2 360.506 1.724 10 0 FDAELP C[C@@H](NC(=O)NCC[N@@H+]1CCCOCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000187226530 258385711 /nfs/dbraw/zinc/38/57/11/258385711.db2.gz MBRREVWSTZHMII-MRXNPFEDSA-N 2 2 357.458 1.955 10 0 FDAELP C[C@@H](NC(=O)NCC[N@H+]1CCCOCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000187226530 258385712 /nfs/dbraw/zinc/38/57/12/258385712.db2.gz MBRREVWSTZHMII-MRXNPFEDSA-N 2 2 357.458 1.955 10 0 FDAELP C[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2C[NH+](C)CCO2)[C@H]1c1ccc(Cl)cc1 ZINC000245551628 258395662 /nfs/dbraw/zinc/39/56/62/258395662.db2.gz IYDPXDNJZPRUAZ-IXDOHACOSA-N 2 2 366.893 1.715 10 0 FDAELP C[N@H+]1CC[C@H](NC(=O)NC[C@@H]2C[NH+](C)CCO2)[C@H]1c1ccc(Cl)cc1 ZINC000245551628 258395663 /nfs/dbraw/zinc/39/56/63/258395663.db2.gz IYDPXDNJZPRUAZ-IXDOHACOSA-N 2 2 366.893 1.715 10 0 FDAELP C[NH+]1CC[C@H](NC(=O)NC[C@@H]2C[N@H+](C)CCO2)[C@H]1c1ccc(Cl)cc1 ZINC000245551628 258395664 /nfs/dbraw/zinc/39/56/64/258395664.db2.gz IYDPXDNJZPRUAZ-IXDOHACOSA-N 2 2 366.893 1.715 10 0 FDAELP C[NH+]1CC[C@H](NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)[C@H]1c1ccc(Cl)cc1 ZINC000245551628 258395665 /nfs/dbraw/zinc/39/56/65/258395665.db2.gz IYDPXDNJZPRUAZ-IXDOHACOSA-N 2 2 366.893 1.715 10 0 FDAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+]([C@H](C)C(=O)NC(C)(C)C)CC2)C1 ZINC000247768575 258399457 /nfs/dbraw/zinc/39/94/57/258399457.db2.gz OLLKXCGEOJPXMO-SJORKVTESA-N 2 2 354.539 1.016 10 0 FDAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+]([C@H](C)C(=O)NC(C)(C)C)CC2)C1 ZINC000247768575 258399458 /nfs/dbraw/zinc/39/94/58/258399458.db2.gz OLLKXCGEOJPXMO-SJORKVTESA-N 2 2 354.539 1.016 10 0 FDAELP C[C@H]1CN(C(=O)c2ccc3[nH]c(=O)n(C)c3c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000329099351 259077079 /nfs/dbraw/zinc/07/70/79/259077079.db2.gz MGKYSCWWFMHASC-AWEZNQCLSA-N 2 2 371.485 1.519 10 0 FDAELP C[C@H]1CN(C(=O)c2ccc3[nH]c(=O)n(C)c3c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000329099351 259077080 /nfs/dbraw/zinc/07/70/80/259077080.db2.gz MGKYSCWWFMHASC-AWEZNQCLSA-N 2 2 371.485 1.519 10 0 FDAELP CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)C1 ZINC000333462740 259350450 /nfs/dbraw/zinc/35/04/50/259350450.db2.gz PWKUUGLENYDXQX-OWCLPIDISA-N 2 2 361.490 1.793 10 0 FDAELP C[C@H](CNC(=O)NC1CC[NH+](CCc2ccccc2)CC1)[NH+]1CCOCC1 ZINC000077774164 523460778 /nfs/dbraw/zinc/46/07/78/523460778.db2.gz VLYXZNWHCKHCHY-GOSISDBHSA-N 2 2 374.529 1.713 10 0 FDAELP C[C@H](CNC(=O)NCc1cccc(OCC[NH+](C)C)c1)[NH+]1CCOCC1 ZINC000079180937 523718074 /nfs/dbraw/zinc/71/80/74/523718074.db2.gz UIBYFTDKNXZJLD-MRXNPFEDSA-N 2 2 364.490 1.147 10 0 FDAELP Cc1ccc(CN(CC[NH+](C)C)C(=O)NC[C@H](C)[NH+]2CCOCC2)o1 ZINC000079598993 523772806 /nfs/dbraw/zinc/77/28/06/523772806.db2.gz KCBLLFUUKKHAFY-HNNXBMFYSA-N 2 2 352.479 1.382 10 0 FDAELP CC[C@@H]1CN(C(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)CC[N@@H+]1C[C@@H](C)O ZINC000174616118 524655150 /nfs/dbraw/zinc/65/51/50/524655150.db2.gz CBGMJMMJGKFJAY-IEBWSBKVSA-N 2 2 374.529 1.910 10 0 FDAELP CC[C@@H]1CN(C(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)CC[N@H+]1C[C@@H](C)O ZINC000174616118 524655157 /nfs/dbraw/zinc/65/51/57/524655157.db2.gz CBGMJMMJGKFJAY-IEBWSBKVSA-N 2 2 374.529 1.910 10 0 FDAELP CNc1cc(N2CCC[C@H]2CNC(=O)NC[C@@H]2CCC[N@H+](C)C2)nc[nH+]1 ZINC000174806365 524745604 /nfs/dbraw/zinc/74/56/04/524745604.db2.gz VEWWNMMHDUPYKP-GJZGRUSLSA-N 2 2 361.494 1.128 10 0 FDAELP CNc1cc(N2CCC[C@H]2CNC(=O)NC[C@@H]2CCC[N@@H+](C)C2)nc[nH+]1 ZINC000174806365 524745610 /nfs/dbraw/zinc/74/56/10/524745610.db2.gz VEWWNMMHDUPYKP-GJZGRUSLSA-N 2 2 361.494 1.128 10 0 FDAELP CNc1cc(N2CCC[C@H]2CNC(=O)NC[C@@H]2CCC[N@H+](C)C2)[nH+]cn1 ZINC000174806365 524745621 /nfs/dbraw/zinc/74/56/21/524745621.db2.gz VEWWNMMHDUPYKP-GJZGRUSLSA-N 2 2 361.494 1.128 10 0 FDAELP CNc1cc(N2CCC[C@H]2CNC(=O)NC[C@@H]2CCC[N@@H+](C)C2)[nH+]cn1 ZINC000174806365 524745626 /nfs/dbraw/zinc/74/56/26/524745626.db2.gz VEWWNMMHDUPYKP-GJZGRUSLSA-N 2 2 361.494 1.128 10 0 FDAELP CC[C@@H](O)C[NH+]1CCN(Cc2c[nH+]c3ccc(Br)cn23)CC1 ZINC000123479887 524760144 /nfs/dbraw/zinc/76/01/44/524760144.db2.gz DSPCGSZBFAOJQB-OAHLLOKOSA-N 2 2 367.291 1.985 10 0 FDAELP CC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000175373332 524955966 /nfs/dbraw/zinc/95/59/66/524955966.db2.gz KJYNJJOZOZAEHU-KRWDZBQOSA-N 2 2 362.522 1.348 10 0 FDAELP CC[N@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000175373332 524955978 /nfs/dbraw/zinc/95/59/78/524955978.db2.gz KJYNJJOZOZAEHU-KRWDZBQOSA-N 2 2 362.522 1.348 10 0 FDAELP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000115713808 525050355 /nfs/dbraw/zinc/05/03/55/525050355.db2.gz DFAHOIAYRDATAF-MPGHIAIKSA-N 2 2 361.534 1.942 10 0 FDAELP CN(C)c1[nH+]cccc1CNC(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000115797144 525059452 /nfs/dbraw/zinc/05/94/52/525059452.db2.gz IJVOURPIJBSLDD-UHFFFAOYSA-N 2 2 371.489 1.299 10 0 FDAELP CN(C)c1[nH+]cccc1CNC(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000115797144 525059461 /nfs/dbraw/zinc/05/94/61/525059461.db2.gz IJVOURPIJBSLDD-UHFFFAOYSA-N 2 2 371.489 1.299 10 0 FDAELP C[C@@H](CNC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)[NH+]1CCOCC1 ZINC000163954198 525465796 /nfs/dbraw/zinc/46/57/96/525465796.db2.gz CQKJQHOEYYLBJK-HOTGVXAUSA-N 2 2 366.531 1.857 10 0 FDAELP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000105279741 525487343 /nfs/dbraw/zinc/48/73/43/525487343.db2.gz YIPLWPFYHCVUPS-HNNXBMFYSA-N 2 2 370.444 1.369 10 0 FDAELP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000105279741 525487347 /nfs/dbraw/zinc/48/73/47/525487347.db2.gz YIPLWPFYHCVUPS-HNNXBMFYSA-N 2 2 370.444 1.369 10 0 FDAELP CC(C)N(C(=O)C[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1)C(C)C ZINC000106123536 525616376 /nfs/dbraw/zinc/61/63/76/525616376.db2.gz VHYMHZBZXPMCEX-IBGZPJMESA-N 2 2 368.566 1.359 10 0 FDAELP CC(C)N(C(=O)C[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1)C(C)C ZINC000106123536 525616385 /nfs/dbraw/zinc/61/63/85/525616385.db2.gz VHYMHZBZXPMCEX-IBGZPJMESA-N 2 2 368.566 1.359 10 0 FDAELP C[C@H]1C[C@H](C)CN(C(=O)C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)C1 ZINC000106130269 525621122 /nfs/dbraw/zinc/62/11/22/525621122.db2.gz UDAARPRRSCTNOZ-ROUUACIJSA-N 2 2 361.534 1.784 10 0 FDAELP C[C@H]1C[C@H](C)CN(C(=O)C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)C1 ZINC000106130269 525621126 /nfs/dbraw/zinc/62/11/26/525621126.db2.gz UDAARPRRSCTNOZ-ROUUACIJSA-N 2 2 361.534 1.784 10 0 FDAELP Cc1ccc([C@H](CNC(=O)N2CC[C@H]([NH+](C)C)C2)[NH+]2CCOCC2)cc1 ZINC000170832575 525729161 /nfs/dbraw/zinc/72/91/61/525729161.db2.gz NZNSDXHQURWSSE-OALUTQOASA-N 2 2 360.502 1.714 10 0 FDAELP O=C([C@@H]1CCC[C@@H]1C(=O)N1CC[NH+](C2CC2)CC1)N1CC[NH+](C2CC2)CC1 ZINC000155087402 525740039 /nfs/dbraw/zinc/74/00/39/525740039.db2.gz BMRLMABSICTPCA-KDURUIRLSA-N 2 2 374.529 1.016 10 0 FDAELP CC[C@H]1CN(C(=O)NCc2[nH+]ccn2CC(C)C)CC[N@@H+]1C[C@@H](C)O ZINC000181834581 525948487 /nfs/dbraw/zinc/94/84/87/525948487.db2.gz ORHZLIZIHOYGHM-CVEARBPZSA-N 2 2 351.495 1.526 10 0 FDAELP CC[C@H]1CN(C(=O)NCc2[nH+]ccn2CC(C)C)CC[N@H+]1C[C@@H](C)O ZINC000181834581 525948494 /nfs/dbraw/zinc/94/84/94/525948494.db2.gz ORHZLIZIHOYGHM-CVEARBPZSA-N 2 2 351.495 1.526 10 0 FDAELP C[NH+]1CCN(c2ncc(C[NH+]3CCC(Nc4cccnn4)CC3)cn2)CC1 ZINC000120311793 526024395 /nfs/dbraw/zinc/02/43/95/526024395.db2.gz SNEBAOVRBDRFCA-UHFFFAOYSA-N 2 2 368.489 1.095 10 0 FDAELP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)C1 ZINC000246416504 536949823 /nfs/dbraw/zinc/94/98/23/536949823.db2.gz MIABPKCPDREWEY-RHSMWYFYSA-N 2 2 369.469 1.871 10 0 FDAELP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)C1 ZINC000246416504 536949825 /nfs/dbraw/zinc/94/98/25/536949825.db2.gz MIABPKCPDREWEY-RHSMWYFYSA-N 2 2 369.469 1.871 10 0 FDAELP [NH3+][C@@H]1CCC[C@@H](C(=O)N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)C1 ZINC000246534785 536975454 /nfs/dbraw/zinc/97/54/54/536975454.db2.gz RZDCQGKWLFCADW-KZNAEPCWSA-N 2 2 361.486 1.088 10 0 FDAELP C[C@H]([NH2+]C1(CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)CCOCC1)c1ccccc1 ZINC000263168252 536985972 /nfs/dbraw/zinc/98/59/72/536985972.db2.gz FLJXNLHEGYHGRI-HOCLYGCPSA-N 2 2 367.440 2.000 10 0 FDAELP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](c2cccs2)[NH+]2CCO[C@@H](C)C2)C1 ZINC000247092203 537080583 /nfs/dbraw/zinc/08/05/83/537080583.db2.gz VUPJDZJVTWHVEQ-XHSDSOJGSA-N 2 2 367.515 1.347 10 0 FDAELP CC[N@H+]1CCO[C@H](C(=O)NC[C@H](c2cccs2)[NH+]2CCO[C@@H](C)C2)C1 ZINC000247092203 537080585 /nfs/dbraw/zinc/08/05/85/537080585.db2.gz VUPJDZJVTWHVEQ-XHSDSOJGSA-N 2 2 367.515 1.347 10 0 FDAELP CC[NH+]1CCO[C@H](C(=O)NC[C@H](c2cccs2)[N@@H+]2CCO[C@@H](C)C2)C1 ZINC000247092203 537080586 /nfs/dbraw/zinc/08/05/86/537080586.db2.gz VUPJDZJVTWHVEQ-XHSDSOJGSA-N 2 2 367.515 1.347 10 0 FDAELP CC[NH+]1CCO[C@H](C(=O)NC[C@H](c2cccs2)[N@H+]2CCO[C@@H](C)C2)C1 ZINC000247092203 537080587 /nfs/dbraw/zinc/08/05/87/537080587.db2.gz VUPJDZJVTWHVEQ-XHSDSOJGSA-N 2 2 367.515 1.347 10 0 FDAELP C[C@@H]([NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)C(=O)N1CCC(C(N)=O)CC1 ZINC000189888959 537111310 /nfs/dbraw/zinc/11/13/10/537111310.db2.gz PZNHASWSNXZTML-HUUCEWRRSA-N 2 2 369.469 1.635 10 0 FDAELP CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)C1 ZINC000247474050 537122345 /nfs/dbraw/zinc/12/23/45/537122345.db2.gz HRKFBJATEDWMDG-WOJBJXKFSA-N 2 2 374.529 1.713 10 0 FDAELP CC[N@H+]1CCC[C@@H](NC(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)C1 ZINC000247474050 537122347 /nfs/dbraw/zinc/12/23/47/537122347.db2.gz HRKFBJATEDWMDG-WOJBJXKFSA-N 2 2 374.529 1.713 10 0 FDAELP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248341055 537173216 /nfs/dbraw/zinc/17/32/16/537173216.db2.gz IUQNLLPRBVYVBX-MSOLQXFVSA-N 2 2 357.502 1.289 10 0 FDAELP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000248341055 537173217 /nfs/dbraw/zinc/17/32/17/537173217.db2.gz IUQNLLPRBVYVBX-MSOLQXFVSA-N 2 2 357.502 1.289 10 0 FDAELP CCOCC[N@@H+]1CCN(c2cc(N3CCCC[C@H]3CO)[nH+]cn2)C[C@@H]1C ZINC000249292491 537232082 /nfs/dbraw/zinc/23/20/82/537232082.db2.gz JIDDENYGYGAJPI-IRXDYDNUSA-N 2 2 363.506 1.375 10 0 FDAELP CCOCC[N@H+]1CCN(c2cc(N3CCCC[C@H]3CO)[nH+]cn2)C[C@@H]1C ZINC000249292491 537232083 /nfs/dbraw/zinc/23/20/83/537232083.db2.gz JIDDENYGYGAJPI-IRXDYDNUSA-N 2 2 363.506 1.375 10 0 FDAELP C[N@H+](C[C@@H](O)COC(C)(C)C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249557489 537238579 /nfs/dbraw/zinc/23/85/79/537238579.db2.gz KICBAPFXFUSRFF-QUCCMNQESA-N 2 2 350.503 1.731 10 0 FDAELP C[N@@H+](C[C@@H](O)COC(C)(C)C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249557489 537238580 /nfs/dbraw/zinc/23/85/80/537238580.db2.gz KICBAPFXFUSRFF-QUCCMNQESA-N 2 2 350.503 1.731 10 0 FDAELP C[NH+](C[C@@H](O)COC(C)(C)C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000249557489 537238582 /nfs/dbraw/zinc/23/85/82/537238582.db2.gz KICBAPFXFUSRFF-QUCCMNQESA-N 2 2 350.503 1.731 10 0 FDAELP C[NH+](C[C@@H](O)COC(C)(C)C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000249557489 537238583 /nfs/dbraw/zinc/23/85/83/537238583.db2.gz KICBAPFXFUSRFF-QUCCMNQESA-N 2 2 350.503 1.731 10 0 FDAELP CC(C)(C)OC(=O)N1CC[NH2+][C@@H](c2cnnn2[C@@H]2CCC[NH2+]CC2)C1 ZINC000725266223 571151315 /nfs/dbraw/zinc/15/13/15/571151315.db2.gz ZWNUIISAMSEEMK-ZIAGYGMSSA-N 2 2 350.467 1.474 10 0 FDAELP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cccc(Br)c1OC(F)F ZINC000262179801 672741934 /nfs/dbraw/zinc/74/19/34/672741934.db2.gz WOYCLXNNODKRSO-ONGXEEELSA-N 2 2 351.191 1.720 10 0 FDAELP Cc1[nH+]ccn1[C@H]1CCCN(C(=O)c2cccn2CC[NH+]2CCOCC2)C1 ZINC000906594079 853061975 /nfs/dbraw/zinc/06/19/75/853061975.db2.gz MRRHIKWIKFFQSF-SFHVURJKSA-N 2 2 371.485 1.803 10 0 FDAELP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195297525 178253960 /nfs/dbraw/zinc/25/39/60/178253960.db2.gz FPZWTAOZBLBYPY-QRQLOZEOSA-N 2 2 360.502 1.519 10 0 FDAELP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195297525 178253964 /nfs/dbraw/zinc/25/39/64/178253964.db2.gz FPZWTAOZBLBYPY-QRQLOZEOSA-N 2 2 360.502 1.519 10 0 FDAELP C[C@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195297525 178253966 /nfs/dbraw/zinc/25/39/66/178253966.db2.gz FPZWTAOZBLBYPY-QRQLOZEOSA-N 2 2 360.502 1.519 10 0 FDAELP C[C@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195297525 178253969 /nfs/dbraw/zinc/25/39/69/178253969.db2.gz FPZWTAOZBLBYPY-QRQLOZEOSA-N 2 2 360.502 1.519 10 0 FDAELP C[C@H](O)C[N@@H+]1CCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)C[C@@H]1C ZINC000245853246 178384679 /nfs/dbraw/zinc/38/46/79/178384679.db2.gz GSCNWDVFUVBEIJ-HOTGVXAUSA-N 2 2 361.490 1.147 10 0 FDAELP C[C@H](O)C[N@H+]1CCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)C[C@@H]1C ZINC000245853246 178384681 /nfs/dbraw/zinc/38/46/81/178384681.db2.gz GSCNWDVFUVBEIJ-HOTGVXAUSA-N 2 2 361.490 1.147 10 0 FDAELP C[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)[C@H]1c1ccccc1 ZINC000245645578 178373709 /nfs/dbraw/zinc/37/37/09/178373709.db2.gz LLHGZGDFKKFXRB-CEXWTWQISA-N 2 2 358.486 1.548 10 0 FDAELP C[N@H+]1CC[C@H](NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)[C@H]1c1ccccc1 ZINC000245645578 178373710 /nfs/dbraw/zinc/37/37/10/178373710.db2.gz LLHGZGDFKKFXRB-CEXWTWQISA-N 2 2 358.486 1.548 10 0 FDAELP C[C@@H]1CN(c2ccc(CNC(=O)[C@H]([NH3+])C3CCOCC3)c[nH+]2)C[C@@H](C)O1 ZINC000261609557 178593892 /nfs/dbraw/zinc/59/38/92/178593892.db2.gz BCYRVAUYPXDMTK-HBUWYVDXSA-N 2 2 362.474 1.065 10 0 FDAELP C[NH+](C)[C@@H](CNC(=O)NC[C@H]1C[N@H+](C)CCO1)c1ccccc1Cl ZINC000171588003 258266630 /nfs/dbraw/zinc/26/66/30/258266630.db2.gz PBYPBRSDLUYGJO-BBRMVZONSA-N 2 2 354.882 1.573 10 0 FDAELP C[NH+](C)[C@@H](CNC(=O)NC[C@H]1C[N@@H+](C)CCO1)c1ccccc1Cl ZINC000171588003 258266631 /nfs/dbraw/zinc/26/66/31/258266631.db2.gz PBYPBRSDLUYGJO-BBRMVZONSA-N 2 2 354.882 1.573 10 0 FDAELP O=C(C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)N1CCC2(CC1)OCCO2 ZINC000171641530 258267032 /nfs/dbraw/zinc/26/70/32/258267032.db2.gz BEDAGHLRZMRESD-INIZCTEOSA-N 2 2 360.458 1.181 10 0 FDAELP O=C(C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)N1CCC2(CC1)OCCO2 ZINC000171641530 258267033 /nfs/dbraw/zinc/26/70/33/258267033.db2.gz BEDAGHLRZMRESD-INIZCTEOSA-N 2 2 360.458 1.181 10 0 FDAELP NC(=O)c1ccccc1NC(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000171643754 258267153 /nfs/dbraw/zinc/26/71/53/258267153.db2.gz FZUPEACDPFFRFG-AWEZNQCLSA-N 2 2 353.426 1.553 10 0 FDAELP NC(=O)c1ccccc1NC(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000171643754 258267154 /nfs/dbraw/zinc/26/71/54/258267154.db2.gz FZUPEACDPFFRFG-AWEZNQCLSA-N 2 2 353.426 1.553 10 0 FDAELP O=S(=O)(NCC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)c1ccccc1 ZINC000171640950 258267320 /nfs/dbraw/zinc/26/73/20/258267320.db2.gz XQSKMGWYIMOFCZ-MRXNPFEDSA-N 2 2 360.483 1.794 10 0 FDAELP O=S(=O)(NCC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)c1ccccc1 ZINC000171640950 258267321 /nfs/dbraw/zinc/26/73/21/258267321.db2.gz XQSKMGWYIMOFCZ-MRXNPFEDSA-N 2 2 360.483 1.794 10 0 FDAELP COC(=O)C1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CC1 ZINC000171642603 258267344 /nfs/dbraw/zinc/26/73/44/258267344.db2.gz JZIUWKMEYKBJJV-JKSUJKDBSA-N 2 2 374.485 1.616 10 0 FDAELP COC(=O)C1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CC1 ZINC000171642603 258267345 /nfs/dbraw/zinc/26/73/45/258267345.db2.gz JZIUWKMEYKBJJV-JKSUJKDBSA-N 2 2 374.485 1.616 10 0 FDAELP C[NH+](C)[C@@H]1CC[C@H](NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000092148741 172293775 /nfs/dbraw/zinc/29/37/75/172293775.db2.gz YZCHFTHGVVJILC-IPMKNSEASA-N 2 2 360.502 1.669 10 0 FDAELP C[NH+](C)[C@@H]1CC[C@H](NC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000092148741 172293777 /nfs/dbraw/zinc/29/37/77/172293777.db2.gz YZCHFTHGVVJILC-IPMKNSEASA-N 2 2 360.502 1.669 10 0 FDAELP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cn1 ZINC000105168636 172398727 /nfs/dbraw/zinc/39/87/27/172398727.db2.gz OCZJLNITHQRVQV-KRWDZBQOSA-N 2 2 354.458 1.955 10 0 FDAELP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CC[N@H+]3CCCC[C@H]3C2)cn1 ZINC000105168636 172398728 /nfs/dbraw/zinc/39/87/28/172398728.db2.gz OCZJLNITHQRVQV-KRWDZBQOSA-N 2 2 354.458 1.955 10 0 FDAELP CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)C1 ZINC000151102782 173390456 /nfs/dbraw/zinc/39/04/56/173390456.db2.gz HWTDNESAVMTLFJ-SJORKVTESA-N 2 2 374.485 1.617 10 0 FDAELP CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)C1 ZINC000151102782 173390459 /nfs/dbraw/zinc/39/04/59/173390459.db2.gz HWTDNESAVMTLFJ-SJORKVTESA-N 2 2 374.485 1.617 10 0 FDAELP CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000175335559 174000543 /nfs/dbraw/zinc/00/05/43/174000543.db2.gz LDQFTWLRTSLPAM-HXUWFJFHSA-N 2 2 374.529 1.873 10 0 FDAELP CC[N@H+]1CCC[C@@H]1CN(C)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000175335559 174000545 /nfs/dbraw/zinc/00/05/45/174000545.db2.gz LDQFTWLRTSLPAM-HXUWFJFHSA-N 2 2 374.529 1.873 10 0 FDAELP O=C([C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000176459315 174071980 /nfs/dbraw/zinc/07/19/80/174071980.db2.gz WBPGNBHEGJFKSP-OALUTQOASA-N 2 2 361.461 1.723 10 0 FDAELP O=C([C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000176459315 174071981 /nfs/dbraw/zinc/07/19/81/174071981.db2.gz WBPGNBHEGJFKSP-OALUTQOASA-N 2 2 361.461 1.723 10 0 FDAELP C[N@H+](CCNC(=O)OC(C)(C)C)C1CC[NH+](CCn2cccn2)CC1 ZINC000177502353 174136940 /nfs/dbraw/zinc/13/69/40/174136940.db2.gz HKATZANBBNRYFN-UHFFFAOYSA-N 2 2 351.495 1.804 10 0 FDAELP C[N@@H+](CCNC(=O)OC(C)(C)C)C1CC[NH+](CCn2cccn2)CC1 ZINC000177502353 174136941 /nfs/dbraw/zinc/13/69/41/174136941.db2.gz HKATZANBBNRYFN-UHFFFAOYSA-N 2 2 351.495 1.804 10 0 FDAELP C[N@H+](CCCNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)C1CCCCC1 ZINC000173769596 258310180 /nfs/dbraw/zinc/31/01/80/258310180.db2.gz AHFIBANDVIMZOW-SFHVURJKSA-N 2 2 352.523 1.757 10 0 FDAELP C[N@@H+](CCCNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)C1CCCCC1 ZINC000173769596 258310181 /nfs/dbraw/zinc/31/01/81/258310181.db2.gz AHFIBANDVIMZOW-SFHVURJKSA-N 2 2 352.523 1.757 10 0 FDAELP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000173784816 258310998 /nfs/dbraw/zinc/31/09/98/258310998.db2.gz RCWGFQOJZUDAJO-KURKYZTESA-N 2 2 352.523 1.471 10 0 FDAELP CC[N@H+](C)Cc1cccc(CNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c1 ZINC000173906844 258314322 /nfs/dbraw/zinc/31/43/22/258314322.db2.gz QARAWOIPBAWIBB-IBGZPJMESA-N 2 2 360.502 1.754 10 0 FDAELP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c1 ZINC000173906844 258314323 /nfs/dbraw/zinc/31/43/23/258314323.db2.gz QARAWOIPBAWIBB-IBGZPJMESA-N 2 2 360.502 1.754 10 0 FDAELP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)CC1 ZINC000179281836 258347609 /nfs/dbraw/zinc/34/76/09/258347609.db2.gz ZEIFSCJHUKKZEM-VQIMIIECSA-N 2 2 352.523 1.349 10 0 FDAELP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000179316438 258348505 /nfs/dbraw/zinc/34/85/05/258348505.db2.gz OIEKGLCEIOVTJG-SFHVURJKSA-N 3 2 362.522 1.392 10 0 FDAELP [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)[C@@H]3COCC[N@@H+]3CC3CCC3)CC2)C1 ZINC000333312415 259333647 /nfs/dbraw/zinc/33/36/47/259333647.db2.gz SBDTXMQEZHYOCU-CEXWTWQISA-N 2 2 365.518 1.232 10 0 FDAELP [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)[C@@H]3COCC[N@H+]3CC3CCC3)CC2)C1 ZINC000333312415 259333649 /nfs/dbraw/zinc/33/36/49/259333649.db2.gz SBDTXMQEZHYOCU-CEXWTWQISA-N 2 2 365.518 1.232 10 0 FDAELP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)N1CCC[N@@H+](C2CC2)CC1 ZINC000064224496 522684819 /nfs/dbraw/zinc/68/48/19/522684819.db2.gz DGLSDNUVUUANCT-UHFFFAOYSA-N 2 2 372.513 1.899 10 0 FDAELP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)N1CCC[N@H+](C2CC2)CC1 ZINC000064224496 522684829 /nfs/dbraw/zinc/68/48/29/522684829.db2.gz DGLSDNUVUUANCT-UHFFFAOYSA-N 2 2 372.513 1.899 10 0 FDAELP CCC(CC)[C@@H](CNC(=O)NC[C@H](C)[NH+]1CCOCC1)[NH+]1CCCC1 ZINC000079125171 523707864 /nfs/dbraw/zinc/70/78/64/523707864.db2.gz XKRPSWYWQYQYMD-FUHWJXTLSA-N 2 2 354.539 1.907 10 0 FDAELP COCC[N@@H+]1CCN(C(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)C[C@@H]1C ZINC000172224018 524168311 /nfs/dbraw/zinc/16/83/11/524168311.db2.gz DDFRTOIIKMPAPE-KRWDZBQOSA-N 2 2 360.502 1.786 10 0 FDAELP COCC[N@H+]1CCN(C(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)C[C@@H]1C ZINC000172224018 524168317 /nfs/dbraw/zinc/16/83/17/524168317.db2.gz DDFRTOIIKMPAPE-KRWDZBQOSA-N 2 2 360.502 1.786 10 0 FDAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000111228280 524224769 /nfs/dbraw/zinc/22/47/69/524224769.db2.gz JFHHUUPGCZOASQ-HXUWFJFHSA-N 2 2 359.514 1.848 10 0 FDAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000111228280 524224771 /nfs/dbraw/zinc/22/47/71/524224771.db2.gz JFHHUUPGCZOASQ-HXUWFJFHSA-N 2 2 359.514 1.848 10 0 FDAELP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000151910148 524722911 /nfs/dbraw/zinc/72/29/11/524722911.db2.gz HQBDIGXFVNJQFH-INIZCTEOSA-N 2 2 363.506 1.903 10 0 FDAELP CC[N@@H+]1CCC[C@H]1CN(C)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000175345492 524951392 /nfs/dbraw/zinc/95/13/92/524951392.db2.gz DWBBEQISCLELAO-KRWDZBQOSA-N 2 2 364.559 1.808 10 0 FDAELP CC[N@H+]1CCC[C@H]1CN(C)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000175345492 524951403 /nfs/dbraw/zinc/95/14/03/524951403.db2.gz DWBBEQISCLELAO-KRWDZBQOSA-N 2 2 364.559 1.808 10 0 FDAELP CNc1cc(N2CCC[C@H]2CNC(=O)N(C)CCCn2cc[nH+]c2)nc[nH+]1 ZINC000153399901 525200302 /nfs/dbraw/zinc/20/03/02/525200302.db2.gz PVWHLXPJQNVDKK-HNNXBMFYSA-N 2 2 372.477 1.415 10 0 FDAELP CCOCC[N@@H+]1CCN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)C[C@H]1CC ZINC000116769268 525208080 /nfs/dbraw/zinc/20/80/80/525208080.db2.gz ZPHXMQJRUXCPAQ-QGZVFWFLSA-N 2 2 357.458 1.840 10 0 FDAELP CCOCC[N@H+]1CCN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)C[C@H]1CC ZINC000116769268 525208090 /nfs/dbraw/zinc/20/80/90/525208090.db2.gz ZPHXMQJRUXCPAQ-QGZVFWFLSA-N 2 2 357.458 1.840 10 0 FDAELP C[NH+](C)C[C@H]1CN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CCO1 ZINC000117039136 525275147 /nfs/dbraw/zinc/27/51/47/525275147.db2.gz YDBXLDUIWNXRGZ-HNNXBMFYSA-N 2 2 361.421 1.483 10 0 FDAELP Cc1ccc(NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)c(OCC[NH+](C)C)c1 ZINC000154629409 525593322 /nfs/dbraw/zinc/59/33/22/525593322.db2.gz YYKNDUZPZWVYHT-OAHLLOKOSA-N 2 2 350.463 1.388 10 0 FDAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](CCOc3cccc(F)c3)CC2)C1 ZINC000106121206 525614052 /nfs/dbraw/zinc/61/40/52/525614052.db2.gz KADKDQYAKGZLOU-HXUWFJFHSA-N 2 2 365.493 1.931 10 0 FDAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](CCOc3cccc(F)c3)CC2)C1 ZINC000106121206 525614065 /nfs/dbraw/zinc/61/40/65/525614065.db2.gz KADKDQYAKGZLOU-HXUWFJFHSA-N 2 2 365.493 1.931 10 0 FDAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](CC(=O)NCCC(C)(C)C)CC2)C1 ZINC000106120786 525614612 /nfs/dbraw/zinc/61/46/12/525614612.db2.gz ALZMOEJHKZMWHX-SFHVURJKSA-N 2 2 368.566 1.266 10 0 FDAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](CC(=O)NCCC(C)(C)C)CC2)C1 ZINC000106120786 525614622 /nfs/dbraw/zinc/61/46/22/525614622.db2.gz ALZMOEJHKZMWHX-SFHVURJKSA-N 2 2 368.566 1.266 10 0 FDAELP C[C@@H](C(=O)Nc1nccs1)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106129294 525620051 /nfs/dbraw/zinc/62/00/51/525620051.db2.gz GMJSRXGOHCJGOP-AWEZNQCLSA-N 2 2 362.503 1.763 10 0 FDAELP C[C@@H](C(=O)Nc1nccs1)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106129294 525620053 /nfs/dbraw/zinc/62/00/53/525620053.db2.gz GMJSRXGOHCJGOP-AWEZNQCLSA-N 2 2 362.503 1.763 10 0 FDAELP C[C@@H]1C[C@H](C)CN(C(=O)C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)C1 ZINC000106130266 525621954 /nfs/dbraw/zinc/62/19/54/525621954.db2.gz UDAARPRRSCTNOZ-HDICACEKSA-N 2 2 361.534 1.784 10 0 FDAELP C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)C1 ZINC000106130266 525621961 /nfs/dbraw/zinc/62/19/61/525621961.db2.gz UDAARPRRSCTNOZ-HDICACEKSA-N 2 2 361.534 1.784 10 0 FDAELP C[C@@H](C(=O)N1CCC(C)CC1)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106130706 525623404 /nfs/dbraw/zinc/62/34/04/525623404.db2.gz XDNOHAOHFLEXML-SFHVURJKSA-N 2 2 361.534 1.926 10 0 FDAELP C[C@@H](C(=O)N1CCC(C)CC1)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106130706 525623412 /nfs/dbraw/zinc/62/34/12/525623412.db2.gz XDNOHAOHFLEXML-SFHVURJKSA-N 2 2 361.534 1.926 10 0 FDAELP Cc1ccc(CNC(=O)C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1 ZINC000106130602 525624004 /nfs/dbraw/zinc/62/40/04/525624004.db2.gz XMRJJIPWUCWFEP-UHFFFAOYSA-N 2 2 369.513 1.904 10 0 FDAELP Cc1ccc(CNC(=O)C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1 ZINC000106130602 525624015 /nfs/dbraw/zinc/62/40/15/525624015.db2.gz XMRJJIPWUCWFEP-UHFFFAOYSA-N 2 2 369.513 1.904 10 0 FDAELP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000182000848 526015213 /nfs/dbraw/zinc/01/52/13/526015213.db2.gz IAOVOIHADFPMQU-OAHLLOKOSA-N 2 2 359.474 1.569 10 0 FDAELP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000171664448 526068020 /nfs/dbraw/zinc/06/80/20/526068020.db2.gz FGZSUJWUGTVARB-IBGZPJMESA-N 2 2 368.481 1.707 10 0 FDAELP Cc1nc(C[NH+]2CCC(C(=O)NC[C@H]3C[N@H+](C)CCO3)CC2)cs1 ZINC000109264642 526097531 /nfs/dbraw/zinc/09/75/31/526097531.db2.gz LGNVNVPDAVIGHT-INIZCTEOSA-N 2 2 352.504 1.110 10 0 FDAELP Cc1nc(C[NH+]2CCC(C(=O)NC[C@H]3C[N@@H+](C)CCO3)CC2)cs1 ZINC000109264642 526097539 /nfs/dbraw/zinc/09/75/39/526097539.db2.gz LGNVNVPDAVIGHT-INIZCTEOSA-N 2 2 352.504 1.110 10 0 FDAELP Cn1cc([C@H]2CCC[N@@H+]2CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cn1 ZINC000184964971 536194215 /nfs/dbraw/zinc/19/42/15/536194215.db2.gz BRXFMRQKHPQIAX-MOPGFXCFSA-N 2 2 355.486 1.976 10 0 FDAELP Cn1cc([C@H]2CCC[N@H+]2CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cn1 ZINC000184964971 536194217 /nfs/dbraw/zinc/19/42/17/536194217.db2.gz BRXFMRQKHPQIAX-MOPGFXCFSA-N 2 2 355.486 1.976 10 0 FDAELP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1c(F)ccc(I)c1F ZINC000263127977 536978508 /nfs/dbraw/zinc/97/85/08/536978508.db2.gz BJXUBBZWUWZLNX-RDDDGLTNSA-N 2 2 368.165 1.239 10 0 FDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000246975318 537061873 /nfs/dbraw/zinc/06/18/73/537061873.db2.gz JJZUZTLFXOCBLP-SJLPKXTDSA-N 2 2 363.483 1.793 10 0 FDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000246975318 537061877 /nfs/dbraw/zinc/06/18/77/537061877.db2.gz JJZUZTLFXOCBLP-SJLPKXTDSA-N 2 2 363.483 1.793 10 0 FDAELP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000246991167 537065295 /nfs/dbraw/zinc/06/52/95/537065295.db2.gz PCCJGZXHAFMWAD-ROUUACIJSA-N 2 2 359.518 1.717 10 0 FDAELP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000246991167 537065296 /nfs/dbraw/zinc/06/52/96/537065296.db2.gz PCCJGZXHAFMWAD-ROUUACIJSA-N 2 2 359.518 1.717 10 0 FDAELP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000247185702 537091381 /nfs/dbraw/zinc/09/13/81/537091381.db2.gz LDBVDMHHHDULLD-XLIONFOSSA-N 2 2 372.513 1.626 10 0 FDAELP C[C@@H]1C[N@H+]2CCC[C@H]2CN1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000247185702 537091383 /nfs/dbraw/zinc/09/13/83/537091383.db2.gz LDBVDMHHHDULLD-XLIONFOSSA-N 2 2 372.513 1.626 10 0 FDAELP COC[C@H](C)NC(=O)NC(=O)C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189897952 537111711 /nfs/dbraw/zinc/11/17/11/537111711.db2.gz RGTDJCPYCZSWOR-UONOGXRCSA-N 2 2 359.430 1.384 10 0 FDAELP Cc1nnc([C@H]2CC3(C[N@@H+]2Cc2cccnc2)CC[NH+](CCO)CC3)o1 ZINC000257191270 537252606 /nfs/dbraw/zinc/25/26/06/537252606.db2.gz PTPCNEBVUBTYCI-QGZVFWFLSA-N 2 2 357.458 1.795 10 0 FDAELP Cc1nnc([C@H]2CC3(C[N@H+]2Cc2cccnc2)CC[NH+](CCO)CC3)o1 ZINC000257191270 537252608 /nfs/dbraw/zinc/25/26/08/537252608.db2.gz PTPCNEBVUBTYCI-QGZVFWFLSA-N 2 2 357.458 1.795 10 0 FDAELP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000190767951 178021987 /nfs/dbraw/zinc/02/19/87/178021987.db2.gz HPXQJBIQGNUMHF-QGZVFWFLSA-N 2 2 369.469 1.883 10 0 FDAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC(=O)NCc2cccnc2)C1 ZINC000195296346 178253746 /nfs/dbraw/zinc/25/37/46/178253746.db2.gz BOHDPNBKSVJAHT-IBGZPJMESA-N 2 2 353.470 1.547 10 0 FDAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC(=O)NCc2cccnc2)C1 ZINC000195296346 178253749 /nfs/dbraw/zinc/25/37/49/178253749.db2.gz BOHDPNBKSVJAHT-IBGZPJMESA-N 2 2 353.470 1.547 10 0 FDAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CC(=O)NCc2cccnc2)C1 ZINC000195296346 178253752 /nfs/dbraw/zinc/25/37/52/178253752.db2.gz BOHDPNBKSVJAHT-IBGZPJMESA-N 2 2 353.470 1.547 10 0 FDAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CC(=O)NCc2cccnc2)C1 ZINC000195296346 178253755 /nfs/dbraw/zinc/25/37/55/178253755.db2.gz BOHDPNBKSVJAHT-IBGZPJMESA-N 2 2 353.470 1.547 10 0 FDAELP CCS(=O)(=O)NCCC[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195298730 178253992 /nfs/dbraw/zinc/25/39/92/178253992.db2.gz HGYITIKKIQANLZ-QGZVFWFLSA-N 2 2 354.520 1.165 10 0 FDAELP CCS(=O)(=O)NCCC[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195298730 178253994 /nfs/dbraw/zinc/25/39/94/178253994.db2.gz HGYITIKKIQANLZ-QGZVFWFLSA-N 2 2 354.520 1.165 10 0 FDAELP CCS(=O)(=O)NCCC[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195298730 178253998 /nfs/dbraw/zinc/25/39/98/178253998.db2.gz HGYITIKKIQANLZ-QGZVFWFLSA-N 2 2 354.520 1.165 10 0 FDAELP CCS(=O)(=O)NCCC[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195298730 178254000 /nfs/dbraw/zinc/25/40/00/178254000.db2.gz HGYITIKKIQANLZ-QGZVFWFLSA-N 2 2 354.520 1.165 10 0 FDAELP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000245433230 178357220 /nfs/dbraw/zinc/35/72/20/178357220.db2.gz PCMKLETWCYZJMQ-MOPGFXCFSA-N 2 2 371.529 1.679 10 0 FDAELP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000245433230 178357221 /nfs/dbraw/zinc/35/72/21/178357221.db2.gz PCMKLETWCYZJMQ-MOPGFXCFSA-N 2 2 371.529 1.679 10 0 FDAELP CN(C(=O)NC[C@@H]1C[NH+](C)CCO1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000245421406 178355288 /nfs/dbraw/zinc/35/52/88/178355288.db2.gz HXYQDQASAQLAPY-RBUKOAKNSA-N 2 2 360.502 1.623 10 0 FDAELP CN(C(=O)NC[C@@H]1C[NH+](C)CCO1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000245421406 178355289 /nfs/dbraw/zinc/35/52/89/178355289.db2.gz HXYQDQASAQLAPY-RBUKOAKNSA-N 2 2 360.502 1.623 10 0 FDAELP CN(C(=O)NC[C@@H]1C[N@H+](C)CCO1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000245421406 178355290 /nfs/dbraw/zinc/35/52/90/178355290.db2.gz HXYQDQASAQLAPY-RBUKOAKNSA-N 2 2 360.502 1.623 10 0 FDAELP CN(C(=O)NC[C@@H]1C[N@@H+](C)CCO1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000245421406 178355291 /nfs/dbraw/zinc/35/52/91/178355291.db2.gz HXYQDQASAQLAPY-RBUKOAKNSA-N 2 2 360.502 1.623 10 0 FDAELP CC[NH+](CC)CCCNC(=O)NC[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000173311532 258296106 /nfs/dbraw/zinc/29/61/06/258296106.db2.gz MHSWPWHTBJUBSV-HNNXBMFYSA-N 2 2 363.510 1.518 10 0 FDAELP CC[NH+](CC)CCCNC(=O)NC[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000173311532 258296107 /nfs/dbraw/zinc/29/61/07/258296107.db2.gz MHSWPWHTBJUBSV-HNNXBMFYSA-N 2 2 363.510 1.518 10 0 FDAELP C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000103473630 172367618 /nfs/dbraw/zinc/36/76/18/172367618.db2.gz YLFVLHIGSMVSQF-NWDGAFQWSA-N 2 2 373.379 1.592 10 0 FDAELP C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000103473630 172367620 /nfs/dbraw/zinc/36/76/20/172367620.db2.gz YLFVLHIGSMVSQF-NWDGAFQWSA-N 2 2 373.379 1.592 10 0 FDAELP CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)C1 ZINC000176981507 174098253 /nfs/dbraw/zinc/09/82/53/174098253.db2.gz MWIDAFXQONFICF-MRXNPFEDSA-N 2 2 355.442 1.626 10 0 FDAELP CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)C1 ZINC000176981507 174098255 /nfs/dbraw/zinc/09/82/55/174098255.db2.gz MWIDAFXQONFICF-MRXNPFEDSA-N 2 2 355.442 1.626 10 0 FDAELP CCOCC[N@@H+]1CCN(C(=O)NCc2ccn3cc[nH+]c3c2)C[C@@H]1CC ZINC000177760259 174155362 /nfs/dbraw/zinc/15/53/62/174155362.db2.gz MAQPAIOJLDHQPN-KRWDZBQOSA-N 2 2 359.474 1.977 10 0 FDAELP CCOCC[N@H+]1CCN(C(=O)NCc2ccn3cc[nH+]c3c2)C[C@@H]1CC ZINC000177760259 174155363 /nfs/dbraw/zinc/15/53/63/174155363.db2.gz MAQPAIOJLDHQPN-KRWDZBQOSA-N 2 2 359.474 1.977 10 0 FDAELP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCC[NH+]2CCc3sccc3C2)C[C@@H]1C ZINC000180757016 258375015 /nfs/dbraw/zinc/37/50/15/258375015.db2.gz QPBURPUCCXUQBD-LSDHHAIUSA-N 2 2 366.531 1.203 10 0 FDAELP C[C@@H](O)C[N@H+]1CCN(C(=O)NCC[NH+]2CCc3sccc3C2)C[C@@H]1C ZINC000180757016 258375016 /nfs/dbraw/zinc/37/50/16/258375016.db2.gz QPBURPUCCXUQBD-LSDHHAIUSA-N 2 2 366.531 1.203 10 0 FDAELP C[C@@H](O)C[NH+]1CCN(C(=O)NCC[N@@H+]2CCc3sccc3C2)C[C@@H]1C ZINC000180757016 258375017 /nfs/dbraw/zinc/37/50/17/258375017.db2.gz QPBURPUCCXUQBD-LSDHHAIUSA-N 2 2 366.531 1.203 10 0 FDAELP C[C@@H](O)C[NH+]1CCN(C(=O)NCC[N@H+]2CCc3sccc3C2)C[C@@H]1C ZINC000180757016 258375018 /nfs/dbraw/zinc/37/50/18/258375018.db2.gz QPBURPUCCXUQBD-LSDHHAIUSA-N 2 2 366.531 1.203 10 0 FDAELP C[NH+](C)C1CCN(CC(=O)Nc2nc(C[NH+]3CCCC3)cs2)CC1 ZINC000178707970 258333096 /nfs/dbraw/zinc/33/30/96/258333096.db2.gz XAGUDGOWWOKJLD-UHFFFAOYSA-N 2 2 351.520 1.703 10 0 FDAELP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000184294152 258381234 /nfs/dbraw/zinc/38/12/34/258381234.db2.gz WHGVTAZBKYSIED-QGZVFWFLSA-N 2 2 357.458 1.693 10 0 FDAELP CCCC[N@H+]1CCOC[C@@H]1C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000184294152 258381235 /nfs/dbraw/zinc/38/12/35/258381235.db2.gz WHGVTAZBKYSIED-QGZVFWFLSA-N 2 2 357.458 1.693 10 0 FDAELP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000247257808 258398250 /nfs/dbraw/zinc/39/82/50/258398250.db2.gz XMRDTFGBZNHAPM-GDBMZVCRSA-N 2 2 359.474 1.927 10 0 FDAELP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000247257808 258398251 /nfs/dbraw/zinc/39/82/51/258398251.db2.gz XMRDTFGBZNHAPM-GDBMZVCRSA-N 2 2 359.474 1.927 10 0 FDAELP CC[C@@H]1C[C@@H](C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)CC(=O)N1 ZINC000329668358 259106269 /nfs/dbraw/zinc/10/62/69/259106269.db2.gz LTUZFILHBYTZKO-BZUAXINKSA-N 2 2 350.507 1.758 10 0 FDAELP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(c2nc3ccccc3s2)CC1 ZINC000072430981 522267371 /nfs/dbraw/zinc/26/73/71/522267371.db2.gz LDBKKEWUPXYRLS-ZDUSSCGKSA-N 2 2 356.455 1.238 10 0 FDAELP CC[N@@H+]1CCC[C@@H](NC(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)C1 ZINC000052593485 523214917 /nfs/dbraw/zinc/21/49/17/523214917.db2.gz WRLBSLWSIKDINY-QGZVFWFLSA-N 2 2 370.501 1.646 10 0 FDAELP CC[N@H+]1CCC[C@@H](NC(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)C1 ZINC000052593485 523214931 /nfs/dbraw/zinc/21/49/31/523214931.db2.gz WRLBSLWSIKDINY-QGZVFWFLSA-N 2 2 370.501 1.646 10 0 FDAELP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000175057581 524853930 /nfs/dbraw/zinc/85/39/30/524853930.db2.gz PCMKLETWCYZJMQ-RTBURBONSA-N 2 2 371.529 1.679 10 0 FDAELP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000175057581 524853943 /nfs/dbraw/zinc/85/39/43/524853943.db2.gz PCMKLETWCYZJMQ-RTBURBONSA-N 2 2 371.529 1.679 10 0 FDAELP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000115801116 525063819 /nfs/dbraw/zinc/06/38/19/525063819.db2.gz YTVGEVNSMBFZAY-KRWDZBQOSA-N 2 2 374.533 1.348 10 0 FDAELP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000115801116 525063825 /nfs/dbraw/zinc/06/38/25/525063825.db2.gz YTVGEVNSMBFZAY-KRWDZBQOSA-N 2 2 374.533 1.348 10 0 FDAELP CC[C@H]1CN(C(=O)NC[C@@H](C)Cn2cc[nH+]c2C)CC[N@@H+]1CCOC ZINC000117488258 525352393 /nfs/dbraw/zinc/35/23/93/525352393.db2.gz SDEYPMRDKAXGFU-WBVHZDCISA-N 2 2 351.495 1.580 10 0 FDAELP CC[C@H]1CN(C(=O)NC[C@@H](C)Cn2cc[nH+]c2C)CC[N@H+]1CCOC ZINC000117488258 525352406 /nfs/dbraw/zinc/35/24/06/525352406.db2.gz SDEYPMRDKAXGFU-WBVHZDCISA-N 2 2 351.495 1.580 10 0 FDAELP CC[NH+]1CCN(C(=O)[C@H](C)N2CC[NH+](Cc3cnc(C)s3)CC2)CC1 ZINC000106091555 525573177 /nfs/dbraw/zinc/57/31/77/525573177.db2.gz XKMDSBVVDFODRU-HNNXBMFYSA-N 2 2 365.547 1.122 10 0 FDAELP CCC(CC)NC(=O)[C@H](C)[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000106121728 525613139 /nfs/dbraw/zinc/61/31/39/525613139.db2.gz QOVFQLIGNYMKNA-PKOBYXMFSA-N 2 2 368.566 1.407 10 0 FDAELP CCC(CC)NC(=O)[C@H](C)[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000106121728 525613145 /nfs/dbraw/zinc/61/31/45/525613145.db2.gz QOVFQLIGNYMKNA-PKOBYXMFSA-N 2 2 368.566 1.407 10 0 FDAELP C[C@@H](NC(=O)c1ccco1)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000154699192 525614096 /nfs/dbraw/zinc/61/40/96/525614096.db2.gz QRWNTDFLTXYGPK-VPSFDDGASA-N 2 2 374.485 1.167 10 0 FDAELP C[C@@H](NC(=O)c1ccco1)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000154699192 525614100 /nfs/dbraw/zinc/61/41/00/525614100.db2.gz QRWNTDFLTXYGPK-VPSFDDGASA-N 2 2 374.485 1.167 10 0 FDAELP Cc1cccc2[nH+]c(CNC(=O)N(C)CC3CC[NH+](C[C@@H](C)O)CC3)cn21 ZINC000181737992 525912168 /nfs/dbraw/zinc/91/21/68/525912168.db2.gz OPNDTGFYFPWLFQ-MRXNPFEDSA-N 2 2 373.501 1.877 10 0 FDAELP CNC(=O)c1ccc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1 ZINC000109005529 526054381 /nfs/dbraw/zinc/05/43/81/526054381.db2.gz WADCGVAJOXOAOY-UHFFFAOYSA-N 2 2 355.486 1.839 10 0 FDAELP CNC(=O)c1ccc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1 ZINC000109005529 526054392 /nfs/dbraw/zinc/05/43/92/526054392.db2.gz WADCGVAJOXOAOY-UHFFFAOYSA-N 2 2 355.486 1.839 10 0 FDAELP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246435417 536952736 /nfs/dbraw/zinc/95/27/36/536952736.db2.gz VUIIZLIFRWMQMF-YZGWKJHDSA-N 3 2 358.530 1.649 10 0 FDAELP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246435417 536952742 /nfs/dbraw/zinc/95/27/42/536952742.db2.gz VUIIZLIFRWMQMF-YZGWKJHDSA-N 3 2 358.530 1.649 10 0 FDAELP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246435417 536952746 /nfs/dbraw/zinc/95/27/46/536952746.db2.gz VUIIZLIFRWMQMF-YZGWKJHDSA-N 3 2 358.530 1.649 10 0 FDAELP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246435417 536952751 /nfs/dbraw/zinc/95/27/51/536952751.db2.gz VUIIZLIFRWMQMF-YZGWKJHDSA-N 3 2 358.530 1.649 10 0 FDAELP NC(=O)C1CC[NH+](Cc2cccc(NC(=O)[C@@H]3CC(F)(F)C[NH2+]3)c2)CC1 ZINC000263024250 536962404 /nfs/dbraw/zinc/96/24/04/536962404.db2.gz RDYKCSSNPOPHOQ-HNNXBMFYSA-N 2 2 366.412 1.320 10 0 FDAELP CN1CC[NH2+]C[C@H]1c1noc([C@@H](c2ccccc2)[NH+]2CCSCC2)n1 ZINC000263143984 536982140 /nfs/dbraw/zinc/98/21/40/536982140.db2.gz CNCYJEQVWLSOFC-JKSUJKDBSA-N 2 2 359.499 1.784 10 0 FDAELP C[C@H](CNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)[NH+]1CCOCC1 ZINC000246748367 537017968 /nfs/dbraw/zinc/01/79/68/537017968.db2.gz XGGXHUNRNPQIKN-RYRKJORJSA-N 2 2 350.507 1.365 10 0 FDAELP C[C@H](CNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)[NH+]1CCOCC1 ZINC000246748367 537017970 /nfs/dbraw/zinc/01/79/70/537017970.db2.gz XGGXHUNRNPQIKN-RYRKJORJSA-N 2 2 350.507 1.365 10 0 FDAELP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000246816976 537033217 /nfs/dbraw/zinc/03/32/17/537033217.db2.gz BAXQHWWRLIJUAP-MJGOQNOKSA-N 2 2 360.502 1.623 10 0 FDAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000246816976 537033220 /nfs/dbraw/zinc/03/32/20/537033220.db2.gz BAXQHWWRLIJUAP-MJGOQNOKSA-N 2 2 360.502 1.623 10 0 FDAELP C[C@@H]1C[NH+](Cc2ccccc2)CCCN1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000246816976 537033223 /nfs/dbraw/zinc/03/32/23/537033223.db2.gz BAXQHWWRLIJUAP-MJGOQNOKSA-N 2 2 360.502 1.623 10 0 FDAELP C[C@@H]1C[NH+](Cc2ccccc2)CCCN1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000246816976 537033225 /nfs/dbraw/zinc/03/32/25/537033225.db2.gz BAXQHWWRLIJUAP-MJGOQNOKSA-N 2 2 360.502 1.623 10 0 FDAELP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000246969708 537060716 /nfs/dbraw/zinc/06/07/16/537060716.db2.gz GAILWRTUXJAMST-QFBILLFUSA-N 3 2 365.566 1.573 10 0 FDAELP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000246969708 537060720 /nfs/dbraw/zinc/06/07/20/537060720.db2.gz GAILWRTUXJAMST-QFBILLFUSA-N 3 2 365.566 1.573 10 0 FDAELP C[C@@H]1C[N@H+]([C@@H](CNC(=O)NC[C@H]2CCC[NH+]2C)c2cccs2)CCO1 ZINC000247179244 537090698 /nfs/dbraw/zinc/09/06/98/537090698.db2.gz ZRLRHTLAGTZNDH-OAGGEKHMSA-N 2 2 366.531 1.903 10 0 FDAELP C[C@@H]1C[NH+]([C@@H](CNC(=O)NC[C@H]2CCC[N@@H+]2C)c2cccs2)CCO1 ZINC000247179244 537090701 /nfs/dbraw/zinc/09/07/01/537090701.db2.gz ZRLRHTLAGTZNDH-OAGGEKHMSA-N 2 2 366.531 1.903 10 0 FDAELP C[C@@H]1C[NH+]([C@@H](CNC(=O)NC[C@H]2CCC[N@H+]2C)c2cccs2)CCO1 ZINC000247179244 537090702 /nfs/dbraw/zinc/09/07/02/537090702.db2.gz ZRLRHTLAGTZNDH-OAGGEKHMSA-N 2 2 366.531 1.903 10 0 FDAELP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CC1 ZINC000247198260 537093686 /nfs/dbraw/zinc/09/36/86/537093686.db2.gz UDGQMLMTNMPXHH-MSOLQXFVSA-N 2 2 351.539 1.140 10 0 FDAELP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CC[N@H+]3CCCC[C@H]3C2)CC1 ZINC000247198260 537093689 /nfs/dbraw/zinc/09/36/89/537093689.db2.gz UDGQMLMTNMPXHH-MSOLQXFVSA-N 2 2 351.539 1.140 10 0 FDAELP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CC1 ZINC000247198260 537093690 /nfs/dbraw/zinc/09/36/90/537093690.db2.gz UDGQMLMTNMPXHH-MSOLQXFVSA-N 2 2 351.539 1.140 10 0 FDAELP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CC[N@H+]3CCCC[C@H]3C2)CC1 ZINC000247198260 537093693 /nfs/dbraw/zinc/09/36/93/537093693.db2.gz UDGQMLMTNMPXHH-MSOLQXFVSA-N 2 2 351.539 1.140 10 0 FDAELP C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C(=O)N(C)CC(=O)NC1CC1 ZINC000189895640 537111593 /nfs/dbraw/zinc/11/15/93/537111593.db2.gz LFTCPKOBBWFBEL-LSDHHAIUSA-N 2 2 369.469 1.648 10 0 FDAELP C[C@@H]([NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)C(=O)N(C)CC(=O)NC1CC1 ZINC000189895661 537111999 /nfs/dbraw/zinc/11/19/99/537111999.db2.gz LFTCPKOBBWFBEL-HUUCEWRRSA-N 2 2 369.469 1.648 10 0 FDAELP C[C@@H](C(=O)N1CC[N@@H+]2CCC[C@H]2C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000247656296 537143872 /nfs/dbraw/zinc/14/38/72/537143872.db2.gz YOAGSOOCBCWSPY-LPHOPBHVSA-N 2 2 360.477 1.643 10 0 FDAELP C[C@@H](C(=O)N1CC[N@H+]2CCC[C@H]2C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000247656296 537143875 /nfs/dbraw/zinc/14/38/75/537143875.db2.gz YOAGSOOCBCWSPY-LPHOPBHVSA-N 2 2 360.477 1.643 10 0 FDAELP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000247963098 537159580 /nfs/dbraw/zinc/15/95/80/537159580.db2.gz DCZNKTNGMJBMKX-AEFFLSMTSA-N 3 2 351.539 1.281 10 0 FDAELP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000247963098 537159582 /nfs/dbraw/zinc/15/95/82/537159582.db2.gz DCZNKTNGMJBMKX-AEFFLSMTSA-N 3 2 351.539 1.281 10 0 FDAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@H](O)COC[C@H]2CCCO2)C1 ZINC000248661737 537202980 /nfs/dbraw/zinc/20/29/80/537202980.db2.gz XKTJWOHZAUUCTR-SLFFLAALSA-N 2 2 363.502 1.392 10 0 FDAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@H](O)COC[C@H]2CCCO2)C1 ZINC000248661737 537202981 /nfs/dbraw/zinc/20/29/81/537202981.db2.gz XKTJWOHZAUUCTR-SLFFLAALSA-N 2 2 363.502 1.392 10 0 FDAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](C[C@H](O)COC[C@H]2CCCO2)C1 ZINC000248661737 537202982 /nfs/dbraw/zinc/20/29/82/537202982.db2.gz XKTJWOHZAUUCTR-SLFFLAALSA-N 2 2 363.502 1.392 10 0 FDAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](C[C@H](O)COC[C@H]2CCCO2)C1 ZINC000248661737 537202984 /nfs/dbraw/zinc/20/29/84/537202984.db2.gz XKTJWOHZAUUCTR-SLFFLAALSA-N 2 2 363.502 1.392 10 0 FDAELP CCCC(=O)N[C@H]1CCC[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000249297984 537232516 /nfs/dbraw/zinc/23/25/16/537232516.db2.gz NHLVNBNRNAHZBM-RBUKOAKNSA-N 2 2 374.529 1.786 10 0 FDAELP CCCC(=O)N[C@H]1CCC[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000249297984 537232517 /nfs/dbraw/zinc/23/25/17/537232517.db2.gz NHLVNBNRNAHZBM-RBUKOAKNSA-N 2 2 374.529 1.786 10 0 FDAELP C[C@@H]1C[NH+]=C(N2CCN(C(=O)c3ccn([C@H]4CCC[NH2+]C4)n3)CC2)S1 ZINC000262785273 537254787 /nfs/dbraw/zinc/25/47/87/537254787.db2.gz NSZSELRUKWTVEF-KGLIPLIRSA-N 2 2 362.503 1.057 10 0 FDAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](CC(=O)NC(=O)NC2CC2)C1 ZINC000195262417 537380617 /nfs/dbraw/zinc/38/06/17/537380617.db2.gz DGSXHTSRBORSKF-CYBMUJFWSA-N 2 2 365.503 1.193 10 0 FDAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](CC(=O)NC(=O)NC2CC2)C1 ZINC000195262417 537380624 /nfs/dbraw/zinc/38/06/24/537380624.db2.gz DGSXHTSRBORSKF-CYBMUJFWSA-N 2 2 365.503 1.193 10 0 FDAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000195262417 537380627 /nfs/dbraw/zinc/38/06/27/537380627.db2.gz DGSXHTSRBORSKF-CYBMUJFWSA-N 2 2 365.503 1.193 10 0 FDAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000195262417 537380633 /nfs/dbraw/zinc/38/06/33/537380633.db2.gz DGSXHTSRBORSKF-CYBMUJFWSA-N 2 2 365.503 1.193 10 0 FDAELP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)NC(=O)NCC(F)(F)F)C2)[nH+]1 ZINC000171651196 258266739 /nfs/dbraw/zinc/26/67/39/258266739.db2.gz KKSACXBROKHNAC-GFCCVEGCSA-N 2 2 373.379 1.512 10 0 FDAELP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)C2)[nH+]1 ZINC000171651196 258266740 /nfs/dbraw/zinc/26/67/40/258266740.db2.gz KKSACXBROKHNAC-GFCCVEGCSA-N 2 2 373.379 1.512 10 0 FDAELP CCOC(=O)C1CCN(C(=O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CC1 ZINC000171648053 258267041 /nfs/dbraw/zinc/26/70/41/258267041.db2.gz LXCNKKAIKZBZKS-MRXNPFEDSA-N 2 2 374.485 1.617 10 0 FDAELP CCOC(=O)C1CCN(C(=O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CC1 ZINC000171648053 258267042 /nfs/dbraw/zinc/26/70/42/258267042.db2.gz LXCNKKAIKZBZKS-MRXNPFEDSA-N 2 2 374.485 1.617 10 0 FDAELP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000076471244 172109309 /nfs/dbraw/zinc/10/93/09/172109309.db2.gz OGWVSUGNSRDIEO-IRXDYDNUSA-N 2 2 370.501 1.868 10 0 FDAELP NS(=O)(=O)c1ccc(OCC[NH+]2CCC([NH+]3CCCC3)CC2)cc1 ZINC000076679940 172115098 /nfs/dbraw/zinc/11/50/98/172115098.db2.gz NMNYILNHXWNUAS-UHFFFAOYSA-N 2 2 353.488 1.273 10 0 FDAELP C[C@H](CNC(=O)NCCC[N@@H+]1CCc2ccccc2C1)[NH+]1CCOCC1 ZINC000078682273 172151952 /nfs/dbraw/zinc/15/19/52/172151952.db2.gz LLLWBSQWRRFFKJ-QGZVFWFLSA-N 2 2 360.502 1.455 10 0 FDAELP C[C@H](CNC(=O)NCCC[N@H+]1CCc2ccccc2C1)[NH+]1CCOCC1 ZINC000078682273 172151953 /nfs/dbraw/zinc/15/19/53/172151953.db2.gz LLLWBSQWRRFFKJ-QGZVFWFLSA-N 2 2 360.502 1.455 10 0 FDAELP O[C@@H](COCc1ccc(Cl)cc1)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129460819 173140006 /nfs/dbraw/zinc/14/00/06/173140006.db2.gz RNNSTIXLIFVHKT-IEBWSBKVSA-N 2 2 368.905 1.872 10 0 FDAELP O[C@@H](COCc1ccc(Cl)cc1)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129460819 173140009 /nfs/dbraw/zinc/14/00/09/173140009.db2.gz RNNSTIXLIFVHKT-IEBWSBKVSA-N 2 2 368.905 1.872 10 0 FDAELP C[C@@H]1CN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000175650632 174017473 /nfs/dbraw/zinc/01/74/73/174017473.db2.gz DYANGELGDDKLGL-AEFFLSMTSA-N 2 2 373.501 1.544 10 0 FDAELP CC(=O)N1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000180673750 258372729 /nfs/dbraw/zinc/37/27/29/258372729.db2.gz ZHXHLJKJRZVMMC-HOTGVXAUSA-N 2 2 369.469 1.602 10 0 FDAELP C[C@@H](O)C[N@@H+]1CCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)C[C@@H]1C ZINC000180755962 258374891 /nfs/dbraw/zinc/37/48/91/258374891.db2.gz GSCNWDVFUVBEIJ-JKSUJKDBSA-N 2 2 361.490 1.147 10 0 FDAELP C[C@@H](O)C[N@H+]1CCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)C[C@@H]1C ZINC000180755962 258374892 /nfs/dbraw/zinc/37/48/92/258374892.db2.gz GSCNWDVFUVBEIJ-JKSUJKDBSA-N 2 2 361.490 1.147 10 0 FDAELP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@H](O)CN2C(=O)c3ccccc3C2=O)C1 ZINC000174211307 258321488 /nfs/dbraw/zinc/32/14/88/258321488.db2.gz QNNZCQLEVDZWDA-CVEARBPZSA-N 2 2 359.470 1.307 10 0 FDAELP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H](O)CN2C(=O)c3ccccc3C2=O)C1 ZINC000174211307 258321489 /nfs/dbraw/zinc/32/14/89/258321489.db2.gz QNNZCQLEVDZWDA-CVEARBPZSA-N 2 2 359.470 1.307 10 0 FDAELP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CCN(c2[nH+]ccn2C)CC1 ZINC000329035557 259073496 /nfs/dbraw/zinc/07/34/96/259073496.db2.gz RBBXAIIZRYVRLW-HZPDHXFCSA-N 2 2 354.458 1.236 10 0 FDAELP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000333722095 259374640 /nfs/dbraw/zinc/37/46/40/259374640.db2.gz IITWHGXRTWDHEM-KRWDZBQOSA-N 2 2 353.507 1.247 10 0 FDAELP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000333722095 259374641 /nfs/dbraw/zinc/37/46/41/259374641.db2.gz IITWHGXRTWDHEM-KRWDZBQOSA-N 2 2 353.507 1.247 10 0 FDAELP Cc1[nH+]c2ccccc2n1CCCNC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000043471771 521861299 /nfs/dbraw/zinc/86/12/99/521861299.db2.gz PYXPFRMJRYHRIK-KRWDZBQOSA-N 2 2 373.501 1.881 10 0 FDAELP Cc1cccc(C[NH+]2CCN(C(=O)NC[C@H](C)[NH+]3CCOCC3)CC2)c1 ZINC000046264685 522265110 /nfs/dbraw/zinc/26/51/10/522265110.db2.gz LBGYANKQLJTAPT-SFHVURJKSA-N 2 2 360.502 1.543 10 0 FDAELP CN(C)C(=O)c1ccc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)[nH]1 ZINC000121199477 524183935 /nfs/dbraw/zinc/18/39/35/524183935.db2.gz ZJCZJPADUYQHLZ-UHFFFAOYSA-N 2 2 358.490 1.509 10 0 FDAELP CN(C)C(=O)c1ccc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)[nH]1 ZINC000121199477 524183946 /nfs/dbraw/zinc/18/39/46/524183946.db2.gz ZJCZJPADUYQHLZ-UHFFFAOYSA-N 2 2 358.490 1.509 10 0 FDAELP CNc1cc(N2CCC[C@H]2CNC(=O)C2CC[NH+](C(C)C)CC2)nc[nH+]1 ZINC000173418535 524384038 /nfs/dbraw/zinc/38/40/38/524384038.db2.gz SYWUSDZFXHPUCS-INIZCTEOSA-N 2 2 360.506 1.724 10 0 FDAELP CNc1cc(N2CCC[C@H]2CNC(=O)C2CC[NH+](C(C)C)CC2)[nH+]cn1 ZINC000173418535 524384045 /nfs/dbraw/zinc/38/40/45/524384045.db2.gz SYWUSDZFXHPUCS-INIZCTEOSA-N 2 2 360.506 1.724 10 0 FDAELP CCC(CC)[C@@H](C(=O)N1CC[N@H+](CCOC)[C@H](C)C1)[NH+]1CCOCC1 ZINC000173805156 524460453 /nfs/dbraw/zinc/46/04/53/524460453.db2.gz MJACOMMBSFRGDS-AEFFLSMTSA-N 2 2 355.523 1.303 10 0 FDAELP CCC(CC)[C@@H](C(=O)N1CC[N@@H+](CCOC)[C@H](C)C1)[NH+]1CCOCC1 ZINC000173805156 524460459 /nfs/dbraw/zinc/46/04/59/524460459.db2.gz MJACOMMBSFRGDS-AEFFLSMTSA-N 2 2 355.523 1.303 10 0 FDAELP CCOCC[N@@H+]1CCN(C(=O)[C@H](C(CC)CC)[NH+]2CCOCC2)C[C@H]1C ZINC000173803955 524460648 /nfs/dbraw/zinc/46/06/48/524460648.db2.gz MHZALFSIECWZPA-MJGOQNOKSA-N 2 2 369.550 1.693 10 0 FDAELP CCOCC[N@H+]1CCN(C(=O)[C@H](C(CC)CC)[NH+]2CCOCC2)C[C@H]1C ZINC000173803955 524460653 /nfs/dbraw/zinc/46/06/53/524460653.db2.gz MHZALFSIECWZPA-MJGOQNOKSA-N 2 2 369.550 1.693 10 0 FDAELP CCC(CC)[C@H](C(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](CC)C1)[NH+]1CCOCC1 ZINC000174618187 524655212 /nfs/dbraw/zinc/65/52/12/524655212.db2.gz HXGFDTKSPYLPEX-BHIYHBOVSA-N 2 2 369.550 1.427 10 0 FDAELP CCC(CC)[C@H](C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](CC)C1)[NH+]1CCOCC1 ZINC000174618187 524655218 /nfs/dbraw/zinc/65/52/18/524655218.db2.gz HXGFDTKSPYLPEX-BHIYHBOVSA-N 2 2 369.550 1.427 10 0 FDAELP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000113268622 524660356 /nfs/dbraw/zinc/66/03/56/524660356.db2.gz SKJPVJCBRNVINC-ZWKOTPCHSA-N 2 2 357.502 1.289 10 0 FDAELP C[C@H]1C[N@H+]2CCC[C@@H]2CN1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000113268622 524660368 /nfs/dbraw/zinc/66/03/68/524660368.db2.gz SKJPVJCBRNVINC-ZWKOTPCHSA-N 2 2 357.502 1.289 10 0 FDAELP CCC[C@@H](C(=O)NCc1ccccc1OCC[NH+]1CCOCC1)[NH+](C)C ZINC000123104990 524681489 /nfs/dbraw/zinc/68/14/89/524681489.db2.gz JMVYOMFQJRESIC-SFHVURJKSA-N 2 2 363.502 1.744 10 0 FDAELP CC[NH+]1CCN(C(=O)NC[C@H](c2ccc(C)s2)[NH+]2CCOCC2)CC1 ZINC000174977540 524820416 /nfs/dbraw/zinc/82/04/16/524820416.db2.gz LAPPGNWERGINQT-MRXNPFEDSA-N 2 2 366.531 1.777 10 0 FDAELP COCC[N@@H+]1CCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccc(F)cc2)C[C@H]1C ZINC000176340772 525085141 /nfs/dbraw/zinc/08/51/41/525085141.db2.gz KOGJXEXEPQTLJJ-APWZRJJASA-N 2 2 363.477 1.969 10 0 FDAELP COCC[N@H+]1CCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccc(F)cc2)C[C@H]1C ZINC000176340772 525085151 /nfs/dbraw/zinc/08/51/51/525085151.db2.gz KOGJXEXEPQTLJJ-APWZRJJASA-N 2 2 363.477 1.969 10 0 FDAELP COCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)C[C@H]1C ZINC000176340772 525085158 /nfs/dbraw/zinc/08/51/58/525085158.db2.gz KOGJXEXEPQTLJJ-APWZRJJASA-N 2 2 363.477 1.969 10 0 FDAELP COCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)C[C@H]1C ZINC000176340772 525085168 /nfs/dbraw/zinc/08/51/68/525085168.db2.gz KOGJXEXEPQTLJJ-APWZRJJASA-N 2 2 363.477 1.969 10 0 FDAELP Cn1cc([C@@H]2CC[N@H+](CCC(=O)N3CCN(c4cccc[nH+]4)CC3)C2)cn1 ZINC000116310240 525132165 /nfs/dbraw/zinc/13/21/65/525132165.db2.gz SLZZZSIEZOCRIU-QGZVFWFLSA-N 2 2 368.485 1.343 10 0 FDAELP Cn1cc([C@@H]2CC[N@@H+](CCC(=O)N3CCN(c4cccc[nH+]4)CC3)C2)cn1 ZINC000116310240 525132169 /nfs/dbraw/zinc/13/21/69/525132169.db2.gz SLZZZSIEZOCRIU-QGZVFWFLSA-N 2 2 368.485 1.343 10 0 FDAELP C[C@H](NC(=O)Nc1ccccc1)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000177150495 525248499 /nfs/dbraw/zinc/24/84/99/525248499.db2.gz DUVWVLAEGJCDBN-HNNXBMFYSA-N 2 2 361.490 1.339 10 0 FDAELP COCC[N@@H+]1CCN(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)C[C@@H]1C ZINC000117476276 525345877 /nfs/dbraw/zinc/34/58/77/525345877.db2.gz ACYUDVNQDMMEHT-INIZCTEOSA-N 2 2 361.490 1.544 10 0 FDAELP COCC[N@H+]1CCN(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)C[C@@H]1C ZINC000117476276 525345886 /nfs/dbraw/zinc/34/58/86/525345886.db2.gz ACYUDVNQDMMEHT-INIZCTEOSA-N 2 2 361.490 1.544 10 0 FDAELP COCC[N@@H+]1CCN(C(=O)NCC[NH+]2CCc3sccc3C2)C[C@@H]1C ZINC000117484204 525350109 /nfs/dbraw/zinc/35/01/09/525350109.db2.gz CGIPBEKLNTVVMK-HNNXBMFYSA-N 2 2 366.531 1.468 10 0 FDAELP COCC[N@H+]1CCN(C(=O)NCC[NH+]2CCc3sccc3C2)C[C@@H]1C ZINC000117484204 525350115 /nfs/dbraw/zinc/35/01/15/525350115.db2.gz CGIPBEKLNTVVMK-HNNXBMFYSA-N 2 2 366.531 1.468 10 0 FDAELP COCC[NH+]1CCN(C(=O)NCC[N@@H+]2CCc3sccc3C2)C[C@@H]1C ZINC000117484204 525350123 /nfs/dbraw/zinc/35/01/23/525350123.db2.gz CGIPBEKLNTVVMK-HNNXBMFYSA-N 2 2 366.531 1.468 10 0 FDAELP COCC[NH+]1CCN(C(=O)NCC[N@H+]2CCc3sccc3C2)C[C@@H]1C ZINC000117484204 525350135 /nfs/dbraw/zinc/35/01/35/525350135.db2.gz CGIPBEKLNTVVMK-HNNXBMFYSA-N 2 2 366.531 1.468 10 0 FDAELP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000105177922 525472873 /nfs/dbraw/zinc/47/28/73/525472873.db2.gz DORVLDGEPWBFMQ-FUHWJXTLSA-N 2 2 368.547 1.074 10 0 FDAELP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000105177922 525472878 /nfs/dbraw/zinc/47/28/78/525472878.db2.gz DORVLDGEPWBFMQ-FUHWJXTLSA-N 2 2 368.547 1.074 10 0 FDAELP CC(C)CN(C(=O)C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1)C1CC1 ZINC000106128745 525619661 /nfs/dbraw/zinc/61/96/61/525619661.db2.gz BAABHVGWWORPKN-UHFFFAOYSA-N 2 2 361.534 1.926 10 0 FDAELP CC(C)CN(C(=O)C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1)C1CC1 ZINC000106128745 525619669 /nfs/dbraw/zinc/61/96/69/525619669.db2.gz BAABHVGWWORPKN-UHFFFAOYSA-N 2 2 361.534 1.926 10 0 FDAELP Cc1nc(C[NH+]2CCC(C(=O)NC[C@H](C)[NH+]3CCOCC3)CC2)cs1 ZINC000170684547 525676785 /nfs/dbraw/zinc/67/67/85/525676785.db2.gz ZCZIITAEMMSDND-AWEZNQCLSA-N 2 2 366.531 1.500 10 0 FDAELP C[NH+]1CCC(Oc2ccc(NC(=O)[C@H]3CCn4c[nH+]cc4C3)cn2)CC1 ZINC000154906620 525680116 /nfs/dbraw/zinc/68/01/16/525680116.db2.gz RMQRADXZDZJJKD-AWEZNQCLSA-N 2 2 355.442 1.952 10 0 FDAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+]([C@@H](C)C(=O)N3CCCCC3)CC2)C1 ZINC000155101738 525744110 /nfs/dbraw/zinc/74/41/10/525744110.db2.gz AJAAZYOTKDQCAN-RBUKOAKNSA-N 2 2 366.550 1.114 10 0 FDAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+]([C@@H](C)C(=O)N3CCCCC3)CC2)C1 ZINC000155101738 525744115 /nfs/dbraw/zinc/74/41/15/525744115.db2.gz AJAAZYOTKDQCAN-RBUKOAKNSA-N 2 2 366.550 1.114 10 0 FDAELP O=C(C[N@@H+]1CCC[C@H](n2cncn2)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000171526601 526024458 /nfs/dbraw/zinc/02/44/58/526024458.db2.gz DRQAZGUXAJVRGF-INIZCTEOSA-N 2 2 374.514 1.321 10 0 FDAELP O=C(C[N@H+]1CCC[C@H](n2cncn2)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000171526601 526024468 /nfs/dbraw/zinc/02/44/68/526024468.db2.gz DRQAZGUXAJVRGF-INIZCTEOSA-N 2 2 374.514 1.321 10 0 FDAELP Cn1cc(C[N@@H+]2CCCN(C(=O)c3ccc(-n4cc[nH+]c4)nc3)CC2)cn1 ZINC000109656145 526156282 /nfs/dbraw/zinc/15/62/82/526156282.db2.gz HMOCUZCOSUPFEY-UHFFFAOYSA-N 2 2 365.441 1.349 10 0 FDAELP Cn1cc(C[N@H+]2CCCN(C(=O)c3ccc(-n4cc[nH+]c4)nc3)CC2)cn1 ZINC000109656145 526156287 /nfs/dbraw/zinc/15/62/87/526156287.db2.gz HMOCUZCOSUPFEY-UHFFFAOYSA-N 2 2 365.441 1.349 10 0 FDAELP CCn1cc(C[N@@H+]2CCCN(C(=O)c3ccc4[nH+]ccn4c3)CC2)cn1 ZINC000171929909 526185565 /nfs/dbraw/zinc/18/55/65/526185565.db2.gz PERHAKDGHLIIGV-UHFFFAOYSA-N 2 2 352.442 1.899 10 0 FDAELP CCn1cc(C[N@H+]2CCCN(C(=O)c3ccc4[nH+]ccn4c3)CC2)cn1 ZINC000171929909 526185571 /nfs/dbraw/zinc/18/55/71/526185571.db2.gz PERHAKDGHLIIGV-UHFFFAOYSA-N 2 2 352.442 1.899 10 0 FDAELP Cn1ncc2c1nc[nH+]c2N1CCN(c2ccc(C[NH+](C)C)cn2)CC1 ZINC000171986967 526199413 /nfs/dbraw/zinc/19/94/13/526199413.db2.gz HLLNQDHICOTRBM-UHFFFAOYSA-N 2 2 352.446 1.147 10 0 FDAELP CNc1cc(N2CCC[C@@H]2CNC(=O)N(C)CC[N@H+](C)C2CC2)nc[nH+]1 ZINC000185481938 536209761 /nfs/dbraw/zinc/20/97/61/536209761.db2.gz NPXAGCSABXRORS-OAHLLOKOSA-N 2 2 361.494 1.223 10 0 FDAELP CNc1cc(N2CCC[C@@H]2CNC(=O)N(C)CC[N@@H+](C)C2CC2)nc[nH+]1 ZINC000185481938 536209762 /nfs/dbraw/zinc/20/97/62/536209762.db2.gz NPXAGCSABXRORS-OAHLLOKOSA-N 2 2 361.494 1.223 10 0 FDAELP CNc1cc(N2CCC[C@@H]2CNC(=O)N(C)CC[N@H+](C)C2CC2)[nH+]cn1 ZINC000185481938 536209763 /nfs/dbraw/zinc/20/97/63/536209763.db2.gz NPXAGCSABXRORS-OAHLLOKOSA-N 2 2 361.494 1.223 10 0 FDAELP CNc1cc(N2CCC[C@@H]2CNC(=O)N(C)CC[N@@H+](C)C2CC2)[nH+]cn1 ZINC000185481938 536209764 /nfs/dbraw/zinc/20/97/64/536209764.db2.gz NPXAGCSABXRORS-OAHLLOKOSA-N 2 2 361.494 1.223 10 0 FDAELP CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000246432459 536953012 /nfs/dbraw/zinc/95/30/12/536953012.db2.gz SZUZMANWGAJXII-LSDHHAIUSA-N 2 2 363.510 1.517 10 0 FDAELP CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000246432459 536953013 /nfs/dbraw/zinc/95/30/13/536953013.db2.gz SZUZMANWGAJXII-LSDHHAIUSA-N 2 2 363.510 1.517 10 0 FDAELP CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000246432459 536953017 /nfs/dbraw/zinc/95/30/17/536953017.db2.gz SZUZMANWGAJXII-LSDHHAIUSA-N 2 2 363.510 1.517 10 0 FDAELP CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000246432459 536953019 /nfs/dbraw/zinc/95/30/19/536953019.db2.gz SZUZMANWGAJXII-LSDHHAIUSA-N 2 2 363.510 1.517 10 0 FDAELP CC1(C)C[N@@H+](C2(CNC(=O)[C@@H]3CC(F)(F)C[NH2+]3)CCCCC2)CCO1 ZINC000263226290 536995892 /nfs/dbraw/zinc/99/58/92/536995892.db2.gz MVWWXCQWNNNFBY-AWEZNQCLSA-N 2 2 359.461 1.914 10 0 FDAELP CC1(C)C[N@H+](C2(CNC(=O)[C@@H]3CC(F)(F)C[NH2+]3)CCCCC2)CCO1 ZINC000263226290 536995895 /nfs/dbraw/zinc/99/58/95/536995895.db2.gz MVWWXCQWNNNFBY-AWEZNQCLSA-N 2 2 359.461 1.914 10 0 FDAELP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000246816955 537032883 /nfs/dbraw/zinc/03/28/83/537032883.db2.gz BAXQHWWRLIJUAP-HKUYNNGSSA-N 2 2 360.502 1.623 10 0 FDAELP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000246816955 537032885 /nfs/dbraw/zinc/03/28/85/537032885.db2.gz BAXQHWWRLIJUAP-HKUYNNGSSA-N 2 2 360.502 1.623 10 0 FDAELP C[C@H]1C[NH+](Cc2ccccc2)CCCN1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000246816955 537032887 /nfs/dbraw/zinc/03/28/87/537032887.db2.gz BAXQHWWRLIJUAP-HKUYNNGSSA-N 2 2 360.502 1.623 10 0 FDAELP C[C@H]1C[NH+](Cc2ccccc2)CCCN1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000246816955 537032891 /nfs/dbraw/zinc/03/28/91/537032891.db2.gz BAXQHWWRLIJUAP-HKUYNNGSSA-N 2 2 360.502 1.623 10 0 FDAELP CCC(CC)[C@@H](C(=O)N1CC[N@H+](CCOC)[C@@H](CC)C1)[NH+]1CCOCC1 ZINC000246875010 537043337 /nfs/dbraw/zinc/04/33/37/537043337.db2.gz WHDKPQNXXYHMOA-OALUTQOASA-N 2 2 369.550 1.693 10 0 FDAELP CCC(CC)[C@@H](C(=O)N1CC[N@@H+](CCOC)[C@@H](CC)C1)[NH+]1CCOCC1 ZINC000246875010 537043340 /nfs/dbraw/zinc/04/33/40/537043340.db2.gz WHDKPQNXXYHMOA-OALUTQOASA-N 2 2 369.550 1.693 10 0 FDAELP CCOCC[N@@H+]1CCN(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)C[C@@H]1CC ZINC000247085792 537079879 /nfs/dbraw/zinc/07/98/79/537079879.db2.gz LQJIOYWQKXBPMD-SQNIBIBYSA-N 2 2 370.538 1.238 10 0 FDAELP CCOCC[N@H+]1CCN(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)C[C@@H]1CC ZINC000247085792 537079881 /nfs/dbraw/zinc/07/98/81/537079881.db2.gz LQJIOYWQKXBPMD-SQNIBIBYSA-N 2 2 370.538 1.238 10 0 FDAELP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000247478245 537123804 /nfs/dbraw/zinc/12/38/04/537123804.db2.gz SKJPVJCBRNVINC-MSOLQXFVSA-N 2 2 357.502 1.289 10 0 FDAELP C[C@@H]1C[N@H+]2CCC[C@H]2CN1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000247478245 537123805 /nfs/dbraw/zinc/12/38/05/537123805.db2.gz SKJPVJCBRNVINC-MSOLQXFVSA-N 2 2 357.502 1.289 10 0 FDAELP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000247736435 537147164 /nfs/dbraw/zinc/14/71/64/537147164.db2.gz MWUJMAYZRLLCNG-IAGOWNOFSA-N 2 2 369.473 1.047 10 0 FDAELP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000247736435 537147167 /nfs/dbraw/zinc/14/71/67/537147167.db2.gz MWUJMAYZRLLCNG-IAGOWNOFSA-N 2 2 369.473 1.047 10 0 FDAELP O=C(CCN1CC[N@@H+]2CCCC[C@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000248347757 537173611 /nfs/dbraw/zinc/17/36/11/537173611.db2.gz NTVLUTSEBDBGRT-SFHVURJKSA-N 2 2 357.502 1.290 10 0 FDAELP O=C(CCN1CC[N@H+]2CCCC[C@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000248347757 537173614 /nfs/dbraw/zinc/17/36/14/537173614.db2.gz NTVLUTSEBDBGRT-SFHVURJKSA-N 2 2 357.502 1.290 10 0 FDAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@@H](O)COC2CCOCC2)C1 ZINC000248663306 537202864 /nfs/dbraw/zinc/20/28/64/537202864.db2.gz ZLRJYPQNTIXBTD-RTBURBONSA-N 2 2 363.502 1.392 10 0 FDAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@@H](O)COC2CCOCC2)C1 ZINC000248663306 537202865 /nfs/dbraw/zinc/20/28/65/537202865.db2.gz ZLRJYPQNTIXBTD-RTBURBONSA-N 2 2 363.502 1.392 10 0 FDAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](C[C@@H](O)COC2CCOCC2)C1 ZINC000248663306 537202867 /nfs/dbraw/zinc/20/28/67/537202867.db2.gz ZLRJYPQNTIXBTD-RTBURBONSA-N 2 2 363.502 1.392 10 0 FDAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](C[C@@H](O)COC2CCOCC2)C1 ZINC000248663306 537202868 /nfs/dbraw/zinc/20/28/68/537202868.db2.gz ZLRJYPQNTIXBTD-RTBURBONSA-N 2 2 363.502 1.392 10 0 FDAELP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCN(c2ccc3nncn3n2)CC1 ZINC000191999174 537217395 /nfs/dbraw/zinc/21/73/95/537217395.db2.gz ILXZTIPKCDVSTM-UHFFFAOYSA-N 2 2 374.452 1.941 10 0 FDAELP CC[N@H+](CC(=O)OC(C)(C)C)C1CCN(c2cc[nH+]cc2C(N)=O)CC1 ZINC000192241339 537222318 /nfs/dbraw/zinc/22/23/18/537222318.db2.gz COVKVFQXWHVQFH-UHFFFAOYSA-N 2 2 362.474 1.813 10 0 FDAELP CC[N@@H+](CC(=O)OC(C)(C)C)C1CCN(c2cc[nH+]cc2C(N)=O)CC1 ZINC000192241339 537222321 /nfs/dbraw/zinc/22/23/21/537222321.db2.gz COVKVFQXWHVQFH-UHFFFAOYSA-N 2 2 362.474 1.813 10 0 FDAELP CCOCC[N@@H+]1CCN(c2cc(N3CCCC[C@@H]3CO)[nH+]cn2)C[C@@H]1C ZINC000192305584 537223059 /nfs/dbraw/zinc/22/30/59/537223059.db2.gz JIDDENYGYGAJPI-DLBZAZTESA-N 2 2 363.506 1.375 10 0 FDAELP CCOCC[N@H+]1CCN(c2cc(N3CCCC[C@@H]3CO)[nH+]cn2)C[C@@H]1C ZINC000192305584 537223060 /nfs/dbraw/zinc/22/30/60/537223060.db2.gz JIDDENYGYGAJPI-DLBZAZTESA-N 2 2 363.506 1.375 10 0 FDAELP CN(Cc1cnn(C)c1)C(=O)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195271855 537385701 /nfs/dbraw/zinc/38/57/01/537385701.db2.gz IOALUPKSUDTRDO-SFHVURJKSA-N 2 2 370.501 1.227 10 0 FDAELP CN(Cc1cnn(C)c1)C(=O)C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195271855 537385712 /nfs/dbraw/zinc/38/57/12/537385712.db2.gz IOALUPKSUDTRDO-SFHVURJKSA-N 2 2 370.501 1.227 10 0 FDAELP CN(Cc1cnn(C)c1)C(=O)C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195271855 537385720 /nfs/dbraw/zinc/38/57/20/537385720.db2.gz IOALUPKSUDTRDO-SFHVURJKSA-N 2 2 370.501 1.227 10 0 FDAELP CN(Cc1cnn(C)c1)C(=O)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195271855 537385728 /nfs/dbraw/zinc/38/57/28/537385728.db2.gz IOALUPKSUDTRDO-SFHVURJKSA-N 2 2 370.501 1.227 10 0 FDAELP COc1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C)CC2 ZINC000486778843 571193565 /nfs/dbraw/zinc/19/35/65/571193565.db2.gz MMSAAEKNFVSDJD-XAUMDUMWSA-N 2 2 354.454 1.896 10 0 FDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)Nc1sccc1C(N)=O ZINC000245907153 672471275 /nfs/dbraw/zinc/47/12/75/672471275.db2.gz CMZOHUPZJVYMTO-YPMHNXCESA-N 2 2 361.471 1.844 10 0 FDAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H]2CCCC[C@@H]2S(C)(=O)=O)nc[nH+]1 ZINC000246099062 672489305 /nfs/dbraw/zinc/48/93/05/672489305.db2.gz XSEFHXSZLOCRSB-ILXRZTDVSA-N 2 2 367.519 1.433 10 0 FDAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CC(=O)NC(=O)NC(C)(C)C)C1 ZINC000195295028 178254232 /nfs/dbraw/zinc/25/42/32/178254232.db2.gz XSZTZJLGPDDQHL-MRXNPFEDSA-N 2 2 361.490 1.460 10 0 FDAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CC(=O)NC(=O)NC(C)(C)C)C1 ZINC000195295028 178254235 /nfs/dbraw/zinc/25/42/35/178254235.db2.gz XSZTZJLGPDDQHL-MRXNPFEDSA-N 2 2 361.490 1.460 10 0 FDAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](CC(=O)NC(=O)NC(C)(C)C)C1 ZINC000195295028 178254237 /nfs/dbraw/zinc/25/42/37/178254237.db2.gz XSZTZJLGPDDQHL-MRXNPFEDSA-N 2 2 361.490 1.460 10 0 FDAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CC(=O)NC(=O)NC(C)(C)C)C1 ZINC000195295028 178254242 /nfs/dbraw/zinc/25/42/42/178254242.db2.gz XSZTZJLGPDDQHL-MRXNPFEDSA-N 2 2 361.490 1.460 10 0 FDAELP O=C(C[NH+]1CCC(c2cc[nH]n2)CC1)N1CC[NH+](Cc2ccco2)CC1 ZINC000195507214 178268523 /nfs/dbraw/zinc/26/85/23/178268523.db2.gz DGXCBSFVSWOLMS-UHFFFAOYSA-N 2 2 357.458 1.527 10 0 FDAELP Cn1nccc1C1CC[NH+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)CC1 ZINC000195504122 178269010 /nfs/dbraw/zinc/26/90/10/178269010.db2.gz YZHMSVURBKDLSR-UHFFFAOYSA-N 2 2 371.485 1.537 10 0 FDAELP CCCC[C@H](C(=O)OC)[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000173335198 258296215 /nfs/dbraw/zinc/29/62/15/258296215.db2.gz GIKMKEDXEKBHCG-ZWKOTPCHSA-N 2 2 355.523 1.445 10 0 FDAELP CCCC[C@H](C(=O)OC)[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000173335198 258296216 /nfs/dbraw/zinc/29/62/16/258296216.db2.gz GIKMKEDXEKBHCG-ZWKOTPCHSA-N 2 2 355.523 1.445 10 0 FDAELP C[C@@H](NC(=O)N1CCO[C@H](C[NH+](C)C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173452765 258299904 /nfs/dbraw/zinc/29/99/04/258299904.db2.gz NHEISQBAKLNVNN-CRAIPNDOSA-N 2 2 357.458 1.905 10 0 FDAELP C[C@H](CNC(=O)NC[C@H]1C[N@H+](C)CCO1)[NH+]1CCc2sccc2C1 ZINC000104782075 172385636 /nfs/dbraw/zinc/38/56/36/172385636.db2.gz UZMLFHQPQBWKSR-HIFRSBDPSA-N 2 2 352.504 1.125 10 0 FDAELP C[C@H](CNC(=O)NC[C@H]1C[N@@H+](C)CCO1)[NH+]1CCc2sccc2C1 ZINC000104782075 172385637 /nfs/dbraw/zinc/38/56/37/172385637.db2.gz UZMLFHQPQBWKSR-HIFRSBDPSA-N 2 2 352.504 1.125 10 0 FDAELP C[C@H](CNC(=O)NC[C@H]1C[NH+](C)CCO1)[N@@H+]1CCc2sccc2C1 ZINC000104782075 172385638 /nfs/dbraw/zinc/38/56/38/172385638.db2.gz UZMLFHQPQBWKSR-HIFRSBDPSA-N 2 2 352.504 1.125 10 0 FDAELP C[C@H](CNC(=O)NC[C@H]1C[NH+](C)CCO1)[N@H+]1CCc2sccc2C1 ZINC000104782075 172385639 /nfs/dbraw/zinc/38/56/39/172385639.db2.gz UZMLFHQPQBWKSR-HIFRSBDPSA-N 2 2 352.504 1.125 10 0 FDAELP Cc1ncc(C[NH+]2CCN(C(=O)N[C@@H]3CC[C@H]([NH+](C)C)C3)CC2)s1 ZINC000129565233 173144283 /nfs/dbraw/zinc/14/42/83/173144283.db2.gz UUNNPIWSMUMVKM-CABCVRRESA-N 2 2 351.520 1.761 10 0 FDAELP CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)C1 ZINC000151102723 173390492 /nfs/dbraw/zinc/39/04/92/173390492.db2.gz HWTDNESAVMTLFJ-IAGOWNOFSA-N 2 2 374.485 1.617 10 0 FDAELP CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)C1 ZINC000151102723 173390494 /nfs/dbraw/zinc/39/04/94/173390494.db2.gz HWTDNESAVMTLFJ-IAGOWNOFSA-N 2 2 374.485 1.617 10 0 FDAELP C[C@@H]1CN(C(=O)NCC[N@@H+]2CCc3ccccc3C2)C[C@H]1[NH+]1CCOCC1 ZINC000175667381 174018382 /nfs/dbraw/zinc/01/83/82/174018382.db2.gz LBLNZLPEWUIJHY-YLJYHZDGSA-N 2 2 372.513 1.407 10 0 FDAELP C[C@@H]1CN(C(=O)NCC[N@H+]2CCc3ccccc3C2)C[C@H]1[NH+]1CCOCC1 ZINC000175667381 174018384 /nfs/dbraw/zinc/01/83/84/174018384.db2.gz LBLNZLPEWUIJHY-YLJYHZDGSA-N 2 2 372.513 1.407 10 0 FDAELP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000176433934 174069992 /nfs/dbraw/zinc/06/99/92/174069992.db2.gz YHTHZUGTIRHRIV-OALUTQOASA-N 2 2 360.502 1.481 10 0 FDAELP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000176433934 174069995 /nfs/dbraw/zinc/06/99/95/174069995.db2.gz YHTHZUGTIRHRIV-OALUTQOASA-N 2 2 360.502 1.481 10 0 FDAELP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000176433934 174069997 /nfs/dbraw/zinc/06/99/97/174069997.db2.gz YHTHZUGTIRHRIV-OALUTQOASA-N 2 2 360.502 1.481 10 0 FDAELP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000176433934 174070001 /nfs/dbraw/zinc/07/00/01/174070001.db2.gz YHTHZUGTIRHRIV-OALUTQOASA-N 2 2 360.502 1.481 10 0 FDAELP O=C([C@H]1CCC[N@H+]1Cc1ccc(F)cc1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000176459298 174072019 /nfs/dbraw/zinc/07/20/19/174072019.db2.gz WBPGNBHEGJFKSP-RBUKOAKNSA-N 2 2 361.461 1.723 10 0 FDAELP O=C([C@H]1CCC[N@@H+]1Cc1ccc(F)cc1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000176459298 174072021 /nfs/dbraw/zinc/07/20/21/174072021.db2.gz WBPGNBHEGJFKSP-RBUKOAKNSA-N 2 2 361.461 1.723 10 0 FDAELP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)CC1 ZINC000177562636 174141677 /nfs/dbraw/zinc/14/16/77/174141677.db2.gz LITZNTZKJWPWTO-QZTJIDSGSA-N 2 2 362.522 1.331 10 0 FDAELP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)CC1 ZINC000177562636 174141678 /nfs/dbraw/zinc/14/16/78/174141678.db2.gz LITZNTZKJWPWTO-QZTJIDSGSA-N 2 2 362.522 1.331 10 0 FDAELP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000181290105 174215818 /nfs/dbraw/zinc/21/58/18/174215818.db2.gz CYFUSOJQYRCJBV-MJGOQNOKSA-N 2 2 360.502 1.623 10 0 FDAELP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000181290105 174215820 /nfs/dbraw/zinc/21/58/20/174215820.db2.gz CYFUSOJQYRCJBV-MJGOQNOKSA-N 2 2 360.502 1.623 10 0 FDAELP CCCNC(=O)CN(C)C(=O)C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180649243 258372264 /nfs/dbraw/zinc/37/22/64/258372264.db2.gz NNUKQIMUQZTPCM-HNNXBMFYSA-N 2 2 357.458 1.508 10 0 FDAELP C[C@@H]([NH2+]CC(=O)NC(=O)NCC(F)(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000180676533 258373052 /nfs/dbraw/zinc/37/30/52/258373052.db2.gz HDTUVIIATFFBHI-LLVKDONJSA-N 2 2 369.347 1.911 10 0 FDAELP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000173761934 258309807 /nfs/dbraw/zinc/30/98/07/258309807.db2.gz NOCBKIGLCPHIDO-ZWKOTPCHSA-N 2 2 373.501 1.686 10 0 FDAELP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000173761934 258309808 /nfs/dbraw/zinc/30/98/08/258309808.db2.gz NOCBKIGLCPHIDO-ZWKOTPCHSA-N 2 2 373.501 1.686 10 0 FDAELP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cn1 ZINC000173784616 258310189 /nfs/dbraw/zinc/31/01/89/258310189.db2.gz MVURVDFGTQYEFZ-KRWDZBQOSA-N 2 2 370.457 1.192 10 0 FDAELP C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000173957415 258315199 /nfs/dbraw/zinc/31/51/99/258315199.db2.gz DLJRCOMDYBCQER-MBOZVWFJSA-N 2 2 357.498 1.612 10 0 FDAELP C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1)[N@H+]1CCc2ccccc2C1 ZINC000173957415 258315200 /nfs/dbraw/zinc/31/52/00/258315200.db2.gz DLJRCOMDYBCQER-MBOZVWFJSA-N 2 2 357.498 1.612 10 0 FDAELP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H](O)CN2C(=O)c3ccccc3C2=O)C1 ZINC000174211290 258321606 /nfs/dbraw/zinc/32/16/06/258321606.db2.gz QNNZCQLEVDZWDA-HOTGVXAUSA-N 2 2 359.470 1.307 10 0 FDAELP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H](O)CN2C(=O)c3ccccc3C2=O)C1 ZINC000174211290 258321607 /nfs/dbraw/zinc/32/16/07/258321607.db2.gz QNNZCQLEVDZWDA-HOTGVXAUSA-N 2 2 359.470 1.307 10 0 FDAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)C(=O)NCc2ccccc2)nc[nH+]1 ZINC000174284871 258322945 /nfs/dbraw/zinc/32/29/45/258322945.db2.gz ZYORKYUYLOXMNP-DOTOQJQBSA-N 2 2 368.485 1.782 10 0 FDAELP Cc1nc2ccnn2c(C)c1C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000329113153 259078101 /nfs/dbraw/zinc/07/81/01/259078101.db2.gz RSVZDZCZLJBOOA-AWEZNQCLSA-N 2 2 370.501 1.587 10 0 FDAELP Cc1nc2ccnn2c(C)c1C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000329113153 259078102 /nfs/dbraw/zinc/07/81/02/259078102.db2.gz RSVZDZCZLJBOOA-AWEZNQCLSA-N 2 2 370.501 1.587 10 0 FDAELP C[C@H]1C[N@@H+](C2CC[NH+](CCc3nnnn3-c3ccccc3)CC2)CCO1 ZINC000329205070 259084356 /nfs/dbraw/zinc/08/43/56/259084356.db2.gz WWGVWOHIIJEWSW-INIZCTEOSA-N 2 2 356.474 1.390 10 0 FDAELP C[C@H]1C[N@H+](C2CC[NH+](CCc3nnnn3-c3ccccc3)CC2)CCO1 ZINC000329205070 259084357 /nfs/dbraw/zinc/08/43/57/259084357.db2.gz WWGVWOHIIJEWSW-INIZCTEOSA-N 2 2 356.474 1.390 10 0 FDAELP C[C@@H]1C[N@@H+](CCCNC(=O)C[NH+]2CCc3sccc3C2)C[C@H](C)O1 ZINC000028174954 519223598 /nfs/dbraw/zinc/22/35/98/519223598.db2.gz LKDDFUMHRDJQIK-GASCZTMLSA-N 2 2 351.516 1.722 10 0 FDAELP C[C@@H]1C[N@H+](CCCNC(=O)C[NH+]2CCc3sccc3C2)C[C@H](C)O1 ZINC000028174954 519223615 /nfs/dbraw/zinc/22/36/15/519223615.db2.gz LKDDFUMHRDJQIK-GASCZTMLSA-N 2 2 351.516 1.722 10 0 FDAELP C[C@@H]1C[NH+](CCCNC(=O)C[N@@H+]2CCc3sccc3C2)C[C@H](C)O1 ZINC000028174954 519223618 /nfs/dbraw/zinc/22/36/18/519223618.db2.gz LKDDFUMHRDJQIK-GASCZTMLSA-N 2 2 351.516 1.722 10 0 FDAELP C[C@@H]1C[NH+](CCCNC(=O)C[N@H+]2CCc3sccc3C2)C[C@H](C)O1 ZINC000028174954 519223621 /nfs/dbraw/zinc/22/36/21/519223621.db2.gz LKDDFUMHRDJQIK-GASCZTMLSA-N 2 2 351.516 1.722 10 0 FDAELP C[C@H](CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1)[NH+]1CCOCC1 ZINC000077789630 523465694 /nfs/dbraw/zinc/46/56/94/523465694.db2.gz VHDCVNXWMIOYBI-QGZVFWFLSA-N 2 2 360.502 1.802 10 0 FDAELP OCc1nnc(CC2CC[NH+]([C@@H]3CCC[NH2+]C3)CC2)n1-c1ccccc1 ZINC000055152752 523755596 /nfs/dbraw/zinc/75/55/96/523755596.db2.gz LRNOQONZIIKUFN-GOSISDBHSA-N 2 2 355.486 1.766 10 0 FDAELP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H](C)[NH+]2CCOCC2)C1 ZINC000111453061 524285111 /nfs/dbraw/zinc/28/51/11/524285111.db2.gz OZOVRWWTEOTDJY-IAGOWNOFSA-N 2 2 354.539 1.907 10 0 FDAELP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H](C)[NH+]2CCOCC2)C1 ZINC000111453061 524285115 /nfs/dbraw/zinc/28/51/15/524285115.db2.gz OZOVRWWTEOTDJY-IAGOWNOFSA-N 2 2 354.539 1.907 10 0 FDAELP COCC[N@H+](C)CCCNC(=O)N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000111826237 524349015 /nfs/dbraw/zinc/34/90/15/524349015.db2.gz HLCCIWKKBZJVAO-UHFFFAOYSA-N 2 2 369.535 1.247 10 0 FDAELP COCC[N@@H+](C)CCCNC(=O)N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000111826237 524349020 /nfs/dbraw/zinc/34/90/20/524349020.db2.gz HLCCIWKKBZJVAO-UHFFFAOYSA-N 2 2 369.535 1.247 10 0 FDAELP CN(Cc1ccco1)C(=O)C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000114719834 524859962 /nfs/dbraw/zinc/85/99/62/524859962.db2.gz MLDJKTTUBWSJOT-UHFFFAOYSA-N 2 2 359.474 1.531 10 0 FDAELP CN(Cc1ccco1)C(=O)C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000114719834 524859971 /nfs/dbraw/zinc/85/99/71/524859971.db2.gz MLDJKTTUBWSJOT-UHFFFAOYSA-N 2 2 359.474 1.531 10 0 FDAELP CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)C1 ZINC000115807127 525063176 /nfs/dbraw/zinc/06/31/76/525063176.db2.gz HPJVQESZVUWSMV-QGZVFWFLSA-N 2 2 362.522 1.348 10 0 FDAELP CC[N@H+]1CCC[C@@H](NC(=O)N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)C1 ZINC000115807127 525063186 /nfs/dbraw/zinc/06/31/86/525063186.db2.gz HPJVQESZVUWSMV-QGZVFWFLSA-N 2 2 362.522 1.348 10 0 FDAELP CCOCC[N@@H+]1CCN(C(=O)NCc2ccc[nH+]c2N(C)C)C[C@@H]1CC ZINC000117031710 525273615 /nfs/dbraw/zinc/27/36/15/525273615.db2.gz KKLOWBWEWOFNFF-KRWDZBQOSA-N 2 2 363.506 1.790 10 0 FDAELP CCOCC[N@H+]1CCN(C(=O)NCc2ccc[nH+]c2N(C)C)C[C@@H]1CC ZINC000117031710 525273619 /nfs/dbraw/zinc/27/36/19/525273619.db2.gz KKLOWBWEWOFNFF-KRWDZBQOSA-N 2 2 363.506 1.790 10 0 FDAELP CCOCC[N@@H+]1CCN(C(=O)NC[C@@H](C)C[NH+]2CCOCC2)C[C@@H]1CC ZINC000163381552 525399793 /nfs/dbraw/zinc/39/97/93/525399793.db2.gz KOGKCSUPQPRIPD-MSOLQXFVSA-N 2 2 370.538 1.097 10 0 FDAELP CCOCC[N@H+]1CCN(C(=O)NC[C@@H](C)C[NH+]2CCOCC2)C[C@@H]1CC ZINC000163381552 525399803 /nfs/dbraw/zinc/39/98/03/525399803.db2.gz KOGKCSUPQPRIPD-MSOLQXFVSA-N 2 2 370.538 1.097 10 0 FDAELP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000105279752 525485833 /nfs/dbraw/zinc/48/58/33/525485833.db2.gz DPXIAHNOHCTNEY-INIZCTEOSA-N 2 2 370.444 1.369 10 0 FDAELP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000105279752 525485838 /nfs/dbraw/zinc/48/58/38/525485838.db2.gz DPXIAHNOHCTNEY-INIZCTEOSA-N 2 2 370.444 1.369 10 0 FDAELP CC1CC[NH+](C[C@H]2CCCN(C(=O)NC[C@@H]3C[N@H+](C)CCO3)C2)CC1 ZINC000105283441 525489787 /nfs/dbraw/zinc/48/97/87/525489787.db2.gz COHVKGXTRSHPQT-QZTJIDSGSA-N 2 2 352.523 1.471 10 0 FDAELP CC1CC[NH+](C[C@H]2CCCN(C(=O)NC[C@@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC000105283441 525489798 /nfs/dbraw/zinc/48/97/98/525489798.db2.gz COHVKGXTRSHPQT-QZTJIDSGSA-N 2 2 352.523 1.471 10 0 FDAELP COc1ccc(C(=O)NC(=O)C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1 ZINC000154543508 525567485 /nfs/dbraw/zinc/56/74/85/525567485.db2.gz YARKNLKZVAHIJH-INIZCTEOSA-N 2 2 356.426 1.621 10 0 FDAELP COc1ccc(C(=O)NC(=O)C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1 ZINC000154543508 525567493 /nfs/dbraw/zinc/56/74/93/525567493.db2.gz YARKNLKZVAHIJH-INIZCTEOSA-N 2 2 356.426 1.621 10 0 FDAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](CCC(=O)Nc3ccccc3)CC2)C1 ZINC000106120609 525611949 /nfs/dbraw/zinc/61/19/49/525611949.db2.gz HMCRTYRXFJFRIU-HXUWFJFHSA-N 2 2 374.529 1.742 10 0 FDAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](CCC(=O)Nc3ccccc3)CC2)C1 ZINC000106120609 525611962 /nfs/dbraw/zinc/61/19/62/525611962.db2.gz HMCRTYRXFJFRIU-HXUWFJFHSA-N 2 2 374.529 1.742 10 0 FDAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](CCC(=O)OC(C)(C)C)CC2)C1 ZINC000106121222 525613340 /nfs/dbraw/zinc/61/33/40/525613340.db2.gz FPHCJBZWLSLPOL-QGZVFWFLSA-N 2 2 355.523 1.445 10 0 FDAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](CCC(=O)OC(C)(C)C)CC2)C1 ZINC000106121222 525613343 /nfs/dbraw/zinc/61/33/43/525613343.db2.gz FPHCJBZWLSLPOL-QGZVFWFLSA-N 2 2 355.523 1.445 10 0 FDAELP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H](C)[NH+]1CCOCC1)c1ccco1 ZINC000129097572 525614528 /nfs/dbraw/zinc/61/45/28/525614528.db2.gz YWNOKGGKQCAHJW-CVEARBPZSA-N 2 2 352.479 1.682 10 0 FDAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](CCOc3ccc(F)cc3)CC2)C1 ZINC000106123759 525615593 /nfs/dbraw/zinc/61/55/93/525615593.db2.gz DHSYUQKRVYZTJZ-FQEVSTJZSA-N 2 2 365.493 1.931 10 0 FDAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](CCOc3ccc(F)cc3)CC2)C1 ZINC000106123759 525615599 /nfs/dbraw/zinc/61/55/99/525615599.db2.gz DHSYUQKRVYZTJZ-FQEVSTJZSA-N 2 2 365.493 1.931 10 0 FDAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+]([C@@H](C)C(=O)Nc3ccccc3)CC2)C1 ZINC000106123357 525616973 /nfs/dbraw/zinc/61/69/73/525616973.db2.gz IYYNSGQVCTYUBO-ICSRJNTNSA-N 2 2 374.529 1.740 10 0 FDAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+]([C@@H](C)C(=O)Nc3ccccc3)CC2)C1 ZINC000106123357 525616984 /nfs/dbraw/zinc/61/69/84/525616984.db2.gz IYYNSGQVCTYUBO-ICSRJNTNSA-N 2 2 374.529 1.740 10 0 FDAELP C[NH+]1CCC(Oc2ccc(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)cn2)CC1 ZINC000154902818 525678207 /nfs/dbraw/zinc/67/82/07/525678207.db2.gz WTGVHCCDZYMFTR-CQSZACIVSA-N 2 2 355.442 1.952 10 0 FDAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C(=O)N(C)C)c2ccccc2)nc[nH+]1 ZINC000170958394 525787349 /nfs/dbraw/zinc/78/73/49/525787349.db2.gz VDMJSGUNWLKWHM-APWZRJJASA-N 2 2 368.485 1.906 10 0 FDAELP CNC(=O)c1ccc(C[NH+]2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)cc1 ZINC000109005503 526053810 /nfs/dbraw/zinc/05/38/10/526053810.db2.gz BRXGQYVQPGPBOF-FQEVSTJZSA-N 2 2 374.529 1.273 10 0 FDAELP CNC(=O)c1ccc(C[NH+]2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)cc1 ZINC000109005503 526053815 /nfs/dbraw/zinc/05/38/15/526053815.db2.gz BRXGQYVQPGPBOF-FQEVSTJZSA-N 2 2 374.529 1.273 10 0 FDAELP COc1ccc(C[NH+]2CCN(C(=O)C[NH2+][C@@H](C)[C@@H]3CCCO3)CC2)cc1 ZINC000183144542 535927754 /nfs/dbraw/zinc/92/77/54/535927754.db2.gz LOPIIBRVKRODQT-LPHOPBHVSA-N 2 2 361.486 1.497 10 0 FDAELP CCCC[N@@H+]1CCOC[C@H]1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000184278852 536125971 /nfs/dbraw/zinc/12/59/71/536125971.db2.gz GSQSVFQHAOOFPE-IBGZPJMESA-N 2 2 360.502 1.663 10 0 FDAELP CCCC[N@H+]1CCOC[C@H]1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000184278852 536125973 /nfs/dbraw/zinc/12/59/73/536125973.db2.gz GSQSVFQHAOOFPE-IBGZPJMESA-N 2 2 360.502 1.663 10 0 FDAELP COc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@@H]2C[N@H+](C)CCO2)c1 ZINC000188634567 536916908 /nfs/dbraw/zinc/91/69/08/536916908.db2.gz FDVBJQSOQFOAAT-GOSISDBHSA-N 2 2 364.490 1.099 10 0 FDAELP COc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000188634567 536916913 /nfs/dbraw/zinc/91/69/13/536916913.db2.gz FDVBJQSOQFOAAT-GOSISDBHSA-N 2 2 364.490 1.099 10 0 FDAELP [NH3+][C@@H]1CCC[C@@H](C(=O)N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)C1 ZINC000246534777 536975934 /nfs/dbraw/zinc/97/59/34/536975934.db2.gz RZDCQGKWLFCADW-KURKYZTESA-N 2 2 361.486 1.088 10 0 FDAELP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000263310263 537014942 /nfs/dbraw/zinc/01/49/42/537014942.db2.gz YMERNCINGSKOSJ-FZMZJTMJSA-N 2 2 351.248 1.509 10 0 FDAELP CC(C)[C@@H](C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000246819652 537033583 /nfs/dbraw/zinc/03/35/83/537033583.db2.gz CDUZIFUOEJMOGA-XDNAFOTISA-N 2 2 353.507 1.053 10 0 FDAELP CC(C)[C@@H](C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000246819652 537033586 /nfs/dbraw/zinc/03/35/86/537033586.db2.gz CDUZIFUOEJMOGA-XDNAFOTISA-N 2 2 353.507 1.053 10 0 FDAELP COCC[N@@H+]1CCN(C(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)C[C@H]1C ZINC000247301390 537105063 /nfs/dbraw/zinc/10/50/63/537105063.db2.gz VGABUHGPGJAOPG-IEBWSBKVSA-N 2 2 361.486 1.067 10 0 FDAELP COCC[N@H+]1CCN(C(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)C[C@H]1C ZINC000247301390 537105067 /nfs/dbraw/zinc/10/50/67/537105067.db2.gz VGABUHGPGJAOPG-IEBWSBKVSA-N 2 2 361.486 1.067 10 0 FDAELP COCC[NH+]1CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)C[C@H]1C ZINC000247301390 537105069 /nfs/dbraw/zinc/10/50/69/537105069.db2.gz VGABUHGPGJAOPG-IEBWSBKVSA-N 2 2 361.486 1.067 10 0 FDAELP COCC[NH+]1CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C[C@H]1C ZINC000247301390 537105072 /nfs/dbraw/zinc/10/50/72/537105072.db2.gz VGABUHGPGJAOPG-IEBWSBKVSA-N 2 2 361.486 1.067 10 0 FDAELP CC[C@H]1CN(C(=O)NC[C@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000248428197 537180410 /nfs/dbraw/zinc/18/04/10/537180410.db2.gz ORBZFJUEJTZGPC-OALUTQOASA-N 2 2 360.502 1.623 10 0 FDAELP CC[C@H]1CN(C(=O)NC[C@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1ccccc1 ZINC000248428197 537180412 /nfs/dbraw/zinc/18/04/12/537180412.db2.gz ORBZFJUEJTZGPC-OALUTQOASA-N 2 2 360.502 1.623 10 0 FDAELP CC[C@H]1CN(C(=O)NC[C@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1ccccc1 ZINC000248428197 537180414 /nfs/dbraw/zinc/18/04/14/537180414.db2.gz ORBZFJUEJTZGPC-OALUTQOASA-N 2 2 360.502 1.623 10 0 FDAELP CC[C@H]1CN(C(=O)NC[C@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1ccccc1 ZINC000248428197 537180416 /nfs/dbraw/zinc/18/04/16/537180416.db2.gz ORBZFJUEJTZGPC-OALUTQOASA-N 2 2 360.502 1.623 10 0 FDAELP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)cn1 ZINC000248599625 537195421 /nfs/dbraw/zinc/19/54/21/537195421.db2.gz IVRJEXDHTMKBBY-CABCVRRESA-N 2 2 372.473 1.172 10 0 FDAELP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)cn1 ZINC000248599625 537195423 /nfs/dbraw/zinc/19/54/23/537195423.db2.gz IVRJEXDHTMKBBY-CABCVRRESA-N 2 2 372.473 1.172 10 0 FDAELP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000248724616 537209009 /nfs/dbraw/zinc/20/90/09/537209009.db2.gz HRNNPAUXGHJPLW-WOJBJXKFSA-N 2 2 372.513 1.625 10 0 FDAELP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000248724616 537209010 /nfs/dbraw/zinc/20/90/10/537209010.db2.gz HRNNPAUXGHJPLW-WOJBJXKFSA-N 2 2 372.513 1.625 10 0 FDAELP CC(C)C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000193948151 537257449 /nfs/dbraw/zinc/25/74/49/537257449.db2.gz XLLGLVOMESDYHO-INIZCTEOSA-N 2 2 357.458 1.903 10 0 FDAELP O=C(C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)Nc1ccc(F)c(F)c1F ZINC000261874501 672686944 /nfs/dbraw/zinc/68/69/44/672686944.db2.gz DLSNGZHRLLWTRZ-ZKYQVNSYSA-N 2 2 357.376 1.789 10 0 FDAELP COc1cc(OC)cc([C@@H](NC(=O)[C@H]2CCC[NH2+]C2)c2[nH+]ccn2C)c1 ZINC000195142502 178242238 /nfs/dbraw/zinc/24/22/38/178242238.db2.gz XKJSOZQTKXPFLM-SUMWQHHRSA-N 2 2 358.442 1.643 10 0 FDAELP CSCC[C@H]([NH3+])C(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000246016606 178396144 /nfs/dbraw/zinc/39/61/44/178396144.db2.gz ULHWDXQMGKXGCS-HZSPNIEDSA-N 2 2 357.545 1.707 10 0 FDAELP CSCC[C@H]([NH3+])C(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000246016606 178396146 /nfs/dbraw/zinc/39/61/46/178396146.db2.gz ULHWDXQMGKXGCS-HZSPNIEDSA-N 2 2 357.545 1.707 10 0 FDAELP C[C@@H](CNC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[NH+]1CCOCC1 ZINC000093119874 172311157 /nfs/dbraw/zinc/31/11/57/172311157.db2.gz UDIUSLBNFXUFSW-INIZCTEOSA-N 2 2 361.490 1.318 10 0 FDAELP O=C(NCc1ccc[nH+]c1N1CCOCC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105118609 172395837 /nfs/dbraw/zinc/39/58/37/172395837.db2.gz JBYYGMSBZCRVDG-QGZVFWFLSA-N 2 2 359.474 1.298 10 0 FDAELP O=C(NCc1ccc[nH+]c1N1CCOCC1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000105118609 172395839 /nfs/dbraw/zinc/39/58/39/172395839.db2.gz JBYYGMSBZCRVDG-QGZVFWFLSA-N 2 2 359.474 1.298 10 0 FDAELP CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)C[C@H]1CSCC[NH2+]1 ZINC000133767820 173312895 /nfs/dbraw/zinc/31/28/95/173312895.db2.gz RYUGOLFOCRYQIH-LSDHHAIUSA-N 2 2 369.556 1.675 10 0 FDAELP CC(C)[N@@H+]1C[C@H](NC(=O)C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)[C@@H](C)C1 ZINC000150780591 173380773 /nfs/dbraw/zinc/38/07/73/173380773.db2.gz MIABPKCPDREWEY-YOEHRIQHSA-N 2 2 369.469 1.871 10 0 FDAELP CC(C)[N@@H+]1C[C@H](NC(=O)C(=O)Nc2ccc(-n3cc[nH+]c3)nc2)[C@@H](C)C1 ZINC000150777489 173380867 /nfs/dbraw/zinc/38/08/67/173380867.db2.gz SQBCSHOTLGWSFV-ZFWWWQNUSA-N 2 2 356.430 1.051 10 0 FDAELP C[C@H]1CN(C(=O)NCc2cccnc2-n2cc[nH+]c2)C[C@H]1[NH+]1CCOCC1 ZINC000175664855 174018263 /nfs/dbraw/zinc/01/82/63/174018263.db2.gz HINMPUKEEPIPOM-DOTOQJQBSA-N 2 2 370.457 1.129 10 0 FDAELP C[C@@H]1CN(C(=O)NCC[N@H+](C)Cc2ccccc2)C[C@@H]1[NH+]1CCOCC1 ZINC000175710935 174022417 /nfs/dbraw/zinc/02/24/17/174022417.db2.gz YJKNGIXXYXVEEH-MJGOQNOKSA-N 2 2 360.502 1.481 10 0 FDAELP C[C@@H]1CN(C(=O)NCC[N@@H+](C)Cc2ccccc2)C[C@@H]1[NH+]1CCOCC1 ZINC000175710935 174022419 /nfs/dbraw/zinc/02/24/19/174022419.db2.gz YJKNGIXXYXVEEH-MJGOQNOKSA-N 2 2 360.502 1.481 10 0 FDAELP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000176906198 174094044 /nfs/dbraw/zinc/09/40/44/174094044.db2.gz XTIIQSABAZLSQK-HNNXBMFYSA-N 2 2 356.430 1.149 10 0 FDAELP CC[N@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000176906198 174094046 /nfs/dbraw/zinc/09/40/46/174094046.db2.gz XTIIQSABAZLSQK-HNNXBMFYSA-N 2 2 356.430 1.149 10 0 FDAELP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000177186828 174112445 /nfs/dbraw/zinc/11/24/45/174112445.db2.gz BQJVHMKIBGNBEH-SFHVURJKSA-N 2 2 368.485 1.643 10 0 FDAELP C[C@H]1C[N@@H+]([C@@H](CNC(=O)C2CC[NH+](C)CC2)c2cccs2)CCO1 ZINC000177974601 174166012 /nfs/dbraw/zinc/16/60/12/174166012.db2.gz NBJAYBTYAARFIW-HOCLYGCPSA-N 2 2 351.516 1.968 10 0 FDAELP C[C@H]1C[N@H+]([C@@H](CNC(=O)C2CC[NH+](C)CC2)c2cccs2)CCO1 ZINC000177974601 174166015 /nfs/dbraw/zinc/16/60/15/174166015.db2.gz NBJAYBTYAARFIW-HOCLYGCPSA-N 2 2 351.516 1.968 10 0 FDAELP C[NH+]1CCC(CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)([NH+]2CCCCC2)CC1 ZINC000173510125 258301592 /nfs/dbraw/zinc/30/15/92/258301592.db2.gz PSFJNTQLIRRQNE-GOSISDBHSA-N 3 2 363.550 1.426 10 0 FDAELP C[NH+]1CCC(CNC(=O)N2CC[N@H+]3CCC[C@@H]3C2)([NH+]2CCCCC2)CC1 ZINC000173510125 258301593 /nfs/dbraw/zinc/30/15/93/258301593.db2.gz PSFJNTQLIRRQNE-GOSISDBHSA-N 3 2 363.550 1.426 10 0 FDAELP C[C@H](CNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000173770137 258309902 /nfs/dbraw/zinc/30/99/02/258309902.db2.gz DHJHKYHTYSZYRS-XLIONFOSSA-N 2 2 372.513 1.549 10 0 FDAELP C[C@H](CNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)[N@H+]1CCc2ccccc2C1 ZINC000173770137 258309903 /nfs/dbraw/zinc/30/99/03/258309903.db2.gz DHJHKYHTYSZYRS-XLIONFOSSA-N 2 2 372.513 1.549 10 0 FDAELP C[NH+](C)[C@@H](CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)c1cccc(F)c1 ZINC000173785616 258311087 /nfs/dbraw/zinc/31/10/87/258311087.db2.gz TUGAGOZLFYMFCL-MSOLQXFVSA-N 2 2 364.465 1.545 10 0 FDAELP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173791164 258311149 /nfs/dbraw/zinc/31/11/49/258311149.db2.gz OOORFLQACKAALJ-FQEVSTJZSA-N 2 2 372.513 1.899 10 0 FDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000178745329 258334496 /nfs/dbraw/zinc/33/44/96/258334496.db2.gz FUMAFHVXXINVNV-SFHVURJKSA-N 2 2 369.469 1.996 10 0 FDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000178745329 258334497 /nfs/dbraw/zinc/33/44/97/258334497.db2.gz FUMAFHVXXINVNV-SFHVURJKSA-N 2 2 369.469 1.996 10 0 FDAELP C[C@H]1CN(C(=O)c2ccc(-n3cncn3)cc2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000329089537 259076954 /nfs/dbraw/zinc/07/69/54/259076954.db2.gz INDDXLGVQPYWMK-INIZCTEOSA-N 2 2 368.485 1.508 10 0 FDAELP C[C@@H]1CN(C(=O)C[C@H]2CCCCNC2=O)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000329395897 259093614 /nfs/dbraw/zinc/09/36/14/259093614.db2.gz VUXAPDSQXNMOBY-HZPDHXFCSA-N 2 2 350.507 1.760 10 0 FDAELP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000073722829 522595346 /nfs/dbraw/zinc/59/53/46/522595346.db2.gz SURBBVJAYPHQCR-MSOLQXFVSA-N 2 2 354.539 1.859 10 0 FDAELP Cc1c(C[NH2+]CC[N@@H+]2CCCC[C@H]2CO)c2ccccc2n1CC(N)=O ZINC000055371079 523803858 /nfs/dbraw/zinc/80/38/58/523803858.db2.gz SOYYDNSQZODJQC-INIZCTEOSA-N 2 2 358.486 1.371 10 0 FDAELP Cc1c(C[NH2+]CC[N@H+]2CCCC[C@H]2CO)c2ccccc2n1CC(N)=O ZINC000055371079 523803865 /nfs/dbraw/zinc/80/38/65/523803865.db2.gz SOYYDNSQZODJQC-INIZCTEOSA-N 2 2 358.486 1.371 10 0 FDAELP Cn1cc([C@@H]2CC[N@H+](CC(=O)N3CC[NH+](Cc4cccs4)CC3)C2)cn1 ZINC000172058086 524103744 /nfs/dbraw/zinc/10/37/44/524103744.db2.gz KOOJZIDEPMKJPQ-MRXNPFEDSA-N 2 2 373.526 1.615 10 0 FDAELP Cn1cc([C@@H]2CC[N@@H+](CC(=O)N3CC[NH+](Cc4cccs4)CC3)C2)cn1 ZINC000172058086 524103749 /nfs/dbraw/zinc/10/37/49/524103749.db2.gz KOOJZIDEPMKJPQ-MRXNPFEDSA-N 2 2 373.526 1.615 10 0 FDAELP CCC[C@@H](C(=O)N1CC[NH+](CCOc2cccc(OC)c2)CC1)[NH+](C)C ZINC000158007478 524382705 /nfs/dbraw/zinc/38/27/05/524382705.db2.gz UXRDJHQUIDBHCI-IBGZPJMESA-N 2 2 363.502 1.949 10 0 FDAELP C[C@@H](CNC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCOCC1 ZINC000175003978 524831846 /nfs/dbraw/zinc/83/18/46/524831846.db2.gz VSOLERXALUVGFZ-AZUAARDMSA-N 2 2 374.529 1.871 10 0 FDAELP C[C@@H](CNC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCOCC1 ZINC000175003978 524831858 /nfs/dbraw/zinc/83/18/58/524831858.db2.gz VSOLERXALUVGFZ-AZUAARDMSA-N 2 2 374.529 1.871 10 0 FDAELP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)NC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000115825171 525068874 /nfs/dbraw/zinc/06/88/74/525068874.db2.gz XFHOIFRUAPREEI-QGZVFWFLSA-N 2 2 362.522 1.206 10 0 FDAELP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)NC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000115825171 525068884 /nfs/dbraw/zinc/06/88/84/525068884.db2.gz XFHOIFRUAPREEI-QGZVFWFLSA-N 2 2 362.522 1.206 10 0 FDAELP O=C(NC1CC[NH+](C2CC2)CC1)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000117029030 525269101 /nfs/dbraw/zinc/26/91/01/525269101.db2.gz OGYFHSBYKNVEMC-HXUWFJFHSA-N 2 2 372.513 1.674 10 0 FDAELP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)C[C@@H](C)O1 ZINC000105099177 525462844 /nfs/dbraw/zinc/46/28/44/525462844.db2.gz CTHARXRVGJFQEK-BRWVUGGUSA-N 2 2 352.523 1.754 10 0 FDAELP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)C[C@@H](C)O1 ZINC000105099177 525462852 /nfs/dbraw/zinc/46/28/52/525462852.db2.gz CTHARXRVGJFQEK-BRWVUGGUSA-N 2 2 352.523 1.754 10 0 FDAELP C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC[NH+](CC3CCCCC3)CC2)C1 ZINC000105279002 525487285 /nfs/dbraw/zinc/48/72/85/525487285.db2.gz PECXMHMCBIVUNC-SFHVURJKSA-N 2 2 352.523 1.615 10 0 FDAELP C[N@H+]1CCO[C@@H](CNC(=O)N2CCC[NH+](CC3CCCCC3)CC2)C1 ZINC000105279002 525487287 /nfs/dbraw/zinc/48/72/87/525487287.db2.gz PECXMHMCBIVUNC-SFHVURJKSA-N 2 2 352.523 1.615 10 0 FDAELP C[NH+]1CCO[C@@H](CNC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)C1 ZINC000105279002 525487290 /nfs/dbraw/zinc/48/72/90/525487290.db2.gz PECXMHMCBIVUNC-SFHVURJKSA-N 2 2 352.523 1.615 10 0 FDAELP C[NH+]1CCO[C@@H](CNC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)C1 ZINC000105279002 525487293 /nfs/dbraw/zinc/48/72/93/525487293.db2.gz PECXMHMCBIVUNC-SFHVURJKSA-N 2 2 352.523 1.615 10 0 FDAELP CC1CC[NH+](C[C@H]2CCCN(C(=O)NC[C@H]3C[N@H+](C)CCO3)C2)CC1 ZINC000105283449 525488962 /nfs/dbraw/zinc/48/89/62/525488962.db2.gz COHVKGXTRSHPQT-MSOLQXFVSA-N 2 2 352.523 1.471 10 0 FDAELP CC1CC[NH+](C[C@H]2CCCN(C(=O)NC[C@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC000105283449 525488968 /nfs/dbraw/zinc/48/89/68/525488968.db2.gz COHVKGXTRSHPQT-MSOLQXFVSA-N 2 2 352.523 1.471 10 0 FDAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](CCC(=O)OC(C)(C)C)CC2)C1 ZINC000106121228 525614637 /nfs/dbraw/zinc/61/46/37/525614637.db2.gz FPHCJBZWLSLPOL-KRWDZBQOSA-N 2 2 355.523 1.445 10 0 FDAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](CCC(=O)OC(C)(C)C)CC2)C1 ZINC000106121228 525614644 /nfs/dbraw/zinc/61/46/44/525614644.db2.gz FPHCJBZWLSLPOL-KRWDZBQOSA-N 2 2 355.523 1.445 10 0 FDAELP C[N@H+](C[C@H](O)COCc1ccco1)C1CC[NH+](CCn2cccn2)CC1 ZINC000155111064 525748893 /nfs/dbraw/zinc/74/88/93/525748893.db2.gz HCRKJXUVNUECIW-SFHVURJKSA-N 2 2 362.474 1.450 10 0 FDAELP C[N@@H+](C[C@H](O)COCc1ccco1)C1CC[NH+](CCn2cccn2)CC1 ZINC000155111064 525748903 /nfs/dbraw/zinc/74/89/03/525748903.db2.gz HCRKJXUVNUECIW-SFHVURJKSA-N 2 2 362.474 1.450 10 0 FDAELP CCOC(=O)[C@H](CC(C)C)[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000182138812 526068560 /nfs/dbraw/zinc/06/85/60/526068560.db2.gz VFHODITZJMXJER-OALUTQOASA-N 2 2 369.550 1.691 10 0 FDAELP CCOC(=O)[C@H](CC(C)C)[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000182138812 526068572 /nfs/dbraw/zinc/06/85/72/526068572.db2.gz VFHODITZJMXJER-OALUTQOASA-N 2 2 369.550 1.691 10 0 FDAELP CC[C@@H](O)C[NH+]1CCN(C(=O)NCCCn2c(C)[nH+]c3ccccc32)CC1 ZINC000184722540 536179010 /nfs/dbraw/zinc/17/90/10/536179010.db2.gz HUEQPMXDISWHAV-QGZVFWFLSA-N 2 2 373.501 1.833 10 0 FDAELP CC[C@@H](O)C[NH+]1CCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC000184953534 536193617 /nfs/dbraw/zinc/19/36/17/536193617.db2.gz DKQBHDNKIVFUOP-QGZVFWFLSA-N 2 2 357.458 1.470 10 0 FDAELP CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)C12CCOCC2 ZINC000186238474 536229709 /nfs/dbraw/zinc/22/97/09/536229709.db2.gz NKUDPFYNVFLJFW-PCCBWWKXSA-N 2 2 374.525 1.969 10 0 FDAELP CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)C12CCOCC2 ZINC000186238474 536229710 /nfs/dbraw/zinc/22/97/10/536229710.db2.gz NKUDPFYNVFLJFW-PCCBWWKXSA-N 2 2 374.525 1.969 10 0 FDAELP CN1CC[NH2+]C[C@@H]1c1noc(C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000263304806 537013233 /nfs/dbraw/zinc/01/32/33/537013233.db2.gz XQOYHMNSFHERSS-IAGOWNOFSA-N 2 2 357.458 1.089 10 0 FDAELP CN1CC[NH2+]C[C@@H]1c1noc(C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000263304806 537013238 /nfs/dbraw/zinc/01/32/38/537013238.db2.gz XQOYHMNSFHERSS-IAGOWNOFSA-N 2 2 357.458 1.089 10 0 FDAELP COc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CC(F)(F)C[NH2+]3)C2)cc(OC)c1 ZINC000263317944 537016555 /nfs/dbraw/zinc/01/65/55/537016555.db2.gz ZTKRILXOQHAFPM-XJKSGUPXSA-N 2 2 369.412 1.392 10 0 FDAELP COc1cc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CC(F)(F)C[NH2+]3)C2)cc(OC)c1 ZINC000263317944 537016558 /nfs/dbraw/zinc/01/65/58/537016558.db2.gz ZTKRILXOQHAFPM-XJKSGUPXSA-N 2 2 369.412 1.392 10 0 FDAELP CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@H](C)[NH+]2CCOCC2)[C@@H](C)C1 ZINC000247098347 537081319 /nfs/dbraw/zinc/08/13/19/537081319.db2.gz FCBVZOWTYKIQDI-BZSNNMDCSA-N 2 2 370.538 1.143 10 0 FDAELP CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@H](C)[NH+]2CCOCC2)[C@@H](C)C1 ZINC000247098347 537081322 /nfs/dbraw/zinc/08/13/22/537081322.db2.gz FCBVZOWTYKIQDI-BZSNNMDCSA-N 2 2 370.538 1.143 10 0 FDAELP COC[C@@H](C)NC(=O)NC(=O)C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189897973 537111787 /nfs/dbraw/zinc/11/17/87/537111787.db2.gz RGTDJCPYCZSWOR-ZIAGYGMSSA-N 2 2 359.430 1.384 10 0 FDAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCC[C@@H](n4cncn4)C3)c2cc1C ZINC000247565941 537135677 /nfs/dbraw/zinc/13/56/77/537135677.db2.gz GNIINYVDCHRMNE-IAGOWNOFSA-N 2 2 354.458 1.943 10 0 FDAELP Cc1ccc([C@@H](CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)[NH+]2CCOCC2)cc1 ZINC000247649846 537142771 /nfs/dbraw/zinc/14/27/71/537142771.db2.gz WKONNBXMYWXPQI-VQTJNVASSA-N 2 2 372.513 1.858 10 0 FDAELP Cc1ccc([C@@H](CNC(=O)N2CC[N@H+]3CCC[C@H]3C2)[NH+]2CCOCC2)cc1 ZINC000247649846 537142774 /nfs/dbraw/zinc/14/27/74/537142774.db2.gz WKONNBXMYWXPQI-VQTJNVASSA-N 2 2 372.513 1.858 10 0 FDAELP [NH3+]C[C@@H]1C[N@H+](CC(=O)NC(=O)NCC(F)(F)F)C[C@H]1c1ccccc1 ZINC000261883429 672688231 /nfs/dbraw/zinc/68/82/31/672688231.db2.gz YVOADFSUKLBXDH-OLZOCXBDSA-N 2 2 358.364 1.049 10 0 FDAELP [NH3+]C[C@@H]1C[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)C[C@H]1c1ccccc1 ZINC000261883429 672688235 /nfs/dbraw/zinc/68/82/35/672688235.db2.gz YVOADFSUKLBXDH-OLZOCXBDSA-N 2 2 358.364 1.049 10 0 FDAELP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000192577572 178121357 /nfs/dbraw/zinc/12/13/57/178121357.db2.gz RLLJJZLQEGIZPC-LJQANCHMSA-N 2 2 360.502 1.663 10 0 FDAELP CCCC[N@H+]1CCOC[C@@H]1C(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000192577572 178121360 /nfs/dbraw/zinc/12/13/60/178121360.db2.gz RLLJJZLQEGIZPC-LJQANCHMSA-N 2 2 360.502 1.663 10 0 FDAELP CN(C(=O)NC[C@H]1C[NH+](C)CCO1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000245421402 178356019 /nfs/dbraw/zinc/35/60/19/178356019.db2.gz HXYQDQASAQLAPY-OALUTQOASA-N 2 2 360.502 1.623 10 0 FDAELP CN(C(=O)NC[C@H]1C[NH+](C)CCO1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000245421402 178356021 /nfs/dbraw/zinc/35/60/21/178356021.db2.gz HXYQDQASAQLAPY-OALUTQOASA-N 2 2 360.502 1.623 10 0 FDAELP CN(C(=O)NC[C@H]1C[N@H+](C)CCO1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000245421402 178356022 /nfs/dbraw/zinc/35/60/22/178356022.db2.gz HXYQDQASAQLAPY-OALUTQOASA-N 2 2 360.502 1.623 10 0 FDAELP CN(C(=O)NC[C@H]1C[N@@H+](C)CCO1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000245421402 178356023 /nfs/dbraw/zinc/35/60/23/178356023.db2.gz HXYQDQASAQLAPY-OALUTQOASA-N 2 2 360.502 1.623 10 0 FDAELP CNC(=O)c1ccc(C[N@H+](Cc2cncnc2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000328656678 210125350 /nfs/dbraw/zinc/12/53/50/210125350.db2.gz ZOCXZQGCVHRBHU-LJQANCHMSA-N 2 2 353.470 1.981 10 0 FDAELP CNC(=O)c1ccc(C[N@@H+](Cc2cncnc2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000328656678 210125355 /nfs/dbraw/zinc/12/53/55/210125355.db2.gz ZOCXZQGCVHRBHU-LJQANCHMSA-N 2 2 353.470 1.981 10 0 FDAELP C[C@@H](CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)[NH+]1CCOCC1 ZINC000071913340 172039966 /nfs/dbraw/zinc/03/99/66/172039966.db2.gz QOFCSQWHBKITKE-HOTGVXAUSA-N 2 2 366.531 1.905 10 0 FDAELP C[C@@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000073719804 172068310 /nfs/dbraw/zinc/06/83/10/172068310.db2.gz ISFJXWMWARVVDT-IAGOWNOFSA-N 2 2 352.523 1.803 10 0 FDAELP C[NH+]1CCC(CNC(=O)[C@@H]2CCCn3ccnc32)([NH+]2CCCCC2)CC1 ZINC000081945402 172198678 /nfs/dbraw/zinc/19/86/78/172198678.db2.gz OMLIHJJSORAJQI-QGZVFWFLSA-N 2 2 359.518 1.827 10 0 FDAELP C[NH+](C)C[C@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)CCO1 ZINC000116796775 172679885 /nfs/dbraw/zinc/67/98/85/172679885.db2.gz CULBWZRFSGOFEX-ZWKOTPCHSA-N 2 2 363.527 1.566 10 0 FDAELP CCC[C@H](C(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1)[NH+](C)C ZINC000128383674 173108905 /nfs/dbraw/zinc/10/89/05/173108905.db2.gz YWOMNFWRWJNEMG-GOSISDBHSA-N 2 2 360.502 1.177 10 0 FDAELP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000151294840 173397148 /nfs/dbraw/zinc/39/71/48/173397148.db2.gz FGTOFELJFAYTJN-ZFWWWQNUSA-N 2 2 358.479 1.727 10 0 FDAELP CC(C)[C@@H](CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)[NH+]1CCN(C)CC1 ZINC000177380748 174125957 /nfs/dbraw/zinc/12/59/57/174125957.db2.gz OZQQFEINSAVGPX-QZTJIDSGSA-N 2 2 362.522 1.329 10 0 FDAELP CC(C)[C@@H](CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)N1CC[NH+](C)CC1 ZINC000177380748 174125958 /nfs/dbraw/zinc/12/59/58/174125958.db2.gz OZQQFEINSAVGPX-QZTJIDSGSA-N 2 2 362.522 1.329 10 0 FDAELP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000177424272 174130364 /nfs/dbraw/zinc/13/03/64/174130364.db2.gz CIPUHEUJZFRTGR-FUHWJXTLSA-N 2 2 370.563 1.320 10 0 FDAELP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000177424272 174130367 /nfs/dbraw/zinc/13/03/67/174130367.db2.gz CIPUHEUJZFRTGR-FUHWJXTLSA-N 2 2 370.563 1.320 10 0 FDAELP Cn1cc(C[N@@H+]2CCCN(C(=O)NCc3ccn4cc[nH+]c4c3)CC2)cn1 ZINC000177782289 174157725 /nfs/dbraw/zinc/15/77/25/174157725.db2.gz ORZYBWDPWCSHKE-UHFFFAOYSA-N 2 2 367.457 1.485 10 0 FDAELP Cn1cc(C[N@H+]2CCCN(C(=O)NCc3ccn4cc[nH+]c4c3)CC2)cn1 ZINC000177782289 174157726 /nfs/dbraw/zinc/15/77/26/174157726.db2.gz ORZYBWDPWCSHKE-UHFFFAOYSA-N 2 2 367.457 1.485 10 0 FDAELP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000181290082 174216032 /nfs/dbraw/zinc/21/60/32/174216032.db2.gz CYFUSOJQYRCJBV-HKUYNNGSSA-N 2 2 360.502 1.623 10 0 FDAELP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000181290082 174216034 /nfs/dbraw/zinc/21/60/34/174216034.db2.gz CYFUSOJQYRCJBV-HKUYNNGSSA-N 2 2 360.502 1.623 10 0 FDAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](Cc3ccc4c[nH]nc4c3)CC2)C1 ZINC000179514050 258352837 /nfs/dbraw/zinc/35/28/37/258352837.db2.gz XKIDGJWFVOLFDQ-LJQANCHMSA-N 2 2 357.502 1.790 10 0 FDAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](Cc3ccc4c[nH]nc4c3)CC2)C1 ZINC000179514050 258352838 /nfs/dbraw/zinc/35/28/38/258352838.db2.gz XKIDGJWFVOLFDQ-LJQANCHMSA-N 2 2 357.502 1.790 10 0 FDAELP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)c1ccco1 ZINC000173906268 258314338 /nfs/dbraw/zinc/31/43/38/258314338.db2.gz ZICKCYNBPCFWTL-SJORKVTESA-N 2 2 364.490 1.779 10 0 FDAELP Cn1c2ccc(NC(=O)C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)cc2[nH+]c1C1CC1 ZINC000179280717 258347527 /nfs/dbraw/zinc/34/75/27/258347527.db2.gz NAIBOLWFNHQXGX-OAHLLOKOSA-N 2 2 367.453 1.696 10 0 FDAELP Cn1c2ccc(NC(=O)C(=O)N3CC[N@H+]4CCC[C@@H]4C3)cc2[nH+]c1C1CC1 ZINC000179280717 258347528 /nfs/dbraw/zinc/34/75/28/258347528.db2.gz NAIBOLWFNHQXGX-OAHLLOKOSA-N 2 2 367.453 1.696 10 0 FDAELP CCc1nn(C)c(Cl)c1C[NH+]1CCN(c2cc[nH+]cc2C(N)=O)CC1 ZINC000302237748 259040552 /nfs/dbraw/zinc/04/05/52/259040552.db2.gz WLIXQOULFKZLDW-UHFFFAOYSA-N 2 2 362.865 1.452 10 0 FDAELP COc1cccc2c1[nH+]cc(C)c2N(C)C[C@H](O)C[NH+]1CCN(C)CC1 ZINC000302672083 259044512 /nfs/dbraw/zinc/04/45/12/259044512.db2.gz RXAHTLBLHYHSPX-INIZCTEOSA-N 2 2 358.486 1.596 10 0 FDAELP COc1cccc2c1[nH+]cc(C)c2N(C)C[C@H](O)CN1CC[NH+](C)CC1 ZINC000302672083 259044513 /nfs/dbraw/zinc/04/45/13/259044513.db2.gz RXAHTLBLHYHSPX-INIZCTEOSA-N 2 2 358.486 1.596 10 0 FDAELP CN(C)c1[nH+]cccc1O[C@H]1CC[N@@H+]([C@@H]2CCN(C3CCOCC3)C2=O)C1 ZINC000333275228 259329365 /nfs/dbraw/zinc/32/93/65/259329365.db2.gz DFKNBKBUIIRPHI-DLBZAZTESA-N 2 2 374.485 1.381 10 0 FDAELP CN(C)c1[nH+]cccc1O[C@H]1CC[N@H+]([C@@H]2CCN(C3CCOCC3)C2=O)C1 ZINC000333275228 259329366 /nfs/dbraw/zinc/32/93/66/259329366.db2.gz DFKNBKBUIIRPHI-DLBZAZTESA-N 2 2 374.485 1.381 10 0 FDAELP C[NH+]1CCN(C(=[NH+]c2ccc(F)cc2)C2C(=O)OC(C)(C)OC2=O)CC1 ZINC000034536122 519594325 /nfs/dbraw/zinc/59/43/25/519594325.db2.gz WIMQGOFULFAXKD-UHFFFAOYSA-N 2 2 363.389 1.533 10 0 FDAELP COCCn1c[nH+]cc1CNc1nc(NC2CC2)nc2c1CC[NH2+]CC2 ZINC000072424528 522257389 /nfs/dbraw/zinc/25/73/89/522257389.db2.gz HFMFOVUFZHSJFZ-UHFFFAOYSA-N 2 2 357.462 1.194 10 0 FDAELP CC[N@@H+]1CCC[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000052501819 523186305 /nfs/dbraw/zinc/18/63/05/523186305.db2.gz RMOUCCGOKXOWHU-LJQANCHMSA-N 2 2 360.502 1.802 10 0 FDAELP CC[N@H+]1CCC[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000052501819 523186318 /nfs/dbraw/zinc/18/63/18/523186318.db2.gz RMOUCCGOKXOWHU-LJQANCHMSA-N 2 2 360.502 1.802 10 0 FDAELP Cn1cc(C[N@@H+]2CCCN(C(=O)NC[C@H](c3ccco3)[NH+](C)C)CC2)cn1 ZINC000115783467 525056828 /nfs/dbraw/zinc/05/68/28/525056828.db2.gz IWSNDRVFWKIJFU-QGZVFWFLSA-N 2 2 374.489 1.533 10 0 FDAELP Cn1cc(C[N@H+]2CCCN(C(=O)NC[C@H](c3ccco3)[NH+](C)C)CC2)cn1 ZINC000115783467 525056836 /nfs/dbraw/zinc/05/68/36/525056836.db2.gz IWSNDRVFWKIJFU-QGZVFWFLSA-N 2 2 374.489 1.533 10 0 FDAELP C[C@H](CNC(=O)NCc1ccc(F)c(C[NH+](C)C)c1)[NH+]1CCOCC1 ZINC000115796700 525062708 /nfs/dbraw/zinc/06/27/08/525062708.db2.gz JMRYBYKHTMYYLP-CQSZACIVSA-N 2 2 352.454 1.407 10 0 FDAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3C[C@H](C)[C@H](N4CCOCC4)C3)c2cc1C ZINC000177254518 525262871 /nfs/dbraw/zinc/26/28/71/525262871.db2.gz QFCYWFSTBXTYDJ-WAOWUJCRSA-N 2 2 372.513 1.667 10 0 FDAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3C[C@H](C)[C@H](N4CCOCC4)C3)c2cc1C ZINC000177254518 525262873 /nfs/dbraw/zinc/26/28/73/525262873.db2.gz QFCYWFSTBXTYDJ-WAOWUJCRSA-N 2 2 372.513 1.667 10 0 FDAELP COCC[N@@H+]1CCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C[C@@H]1C ZINC000117474454 525346093 /nfs/dbraw/zinc/34/60/93/525346093.db2.gz NCJTVQZPGFDBGH-INIZCTEOSA-N 2 2 361.490 1.544 10 0 FDAELP COCC[N@H+]1CCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C[C@@H]1C ZINC000117474454 525346096 /nfs/dbraw/zinc/34/60/96/525346096.db2.gz NCJTVQZPGFDBGH-INIZCTEOSA-N 2 2 361.490 1.544 10 0 FDAELP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000105281123 525485601 /nfs/dbraw/zinc/48/56/01/525485601.db2.gz AZFLPIHPCZELQV-KRWDZBQOSA-N 2 2 352.454 1.230 10 0 FDAELP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000105281123 525485609 /nfs/dbraw/zinc/48/56/09/525485609.db2.gz AZFLPIHPCZELQV-KRWDZBQOSA-N 2 2 352.454 1.230 10 0 FDAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](Cc3ccc(C(N)=O)cc3)CC2)C1 ZINC000106122412 525615830 /nfs/dbraw/zinc/61/58/30/525615830.db2.gz CJUPJDHBGUHNHN-IBGZPJMESA-N 2 2 360.502 1.012 10 0 FDAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](Cc3ccc(C(N)=O)cc3)CC2)C1 ZINC000106122412 525615839 /nfs/dbraw/zinc/61/58/39/525615839.db2.gz CJUPJDHBGUHNHN-IBGZPJMESA-N 2 2 360.502 1.012 10 0 FDAELP C[C@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106130586 525622988 /nfs/dbraw/zinc/62/29/88/525622988.db2.gz KYOBSJHPPMUCEK-HKUYNNGSSA-N 2 2 361.534 1.974 10 0 FDAELP C[C@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106130586 525622992 /nfs/dbraw/zinc/62/29/92/525622992.db2.gz KYOBSJHPPMUCEK-HKUYNNGSSA-N 2 2 361.534 1.974 10 0 FDAELP COc1cccc(NC(=O)C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1 ZINC000106130644 525623667 /nfs/dbraw/zinc/62/36/67/525623667.db2.gz CISMIKQQLUHARE-UHFFFAOYSA-N 2 2 371.485 1.927 10 0 FDAELP COc1cccc(NC(=O)C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1 ZINC000106130644 525623675 /nfs/dbraw/zinc/62/36/75/525623675.db2.gz CISMIKQQLUHARE-UHFFFAOYSA-N 2 2 371.485 1.927 10 0 FDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N[C@H](C(=O)OC)[C@@H](C)CC)C1 ZINC000106215718 525674028 /nfs/dbraw/zinc/67/40/28/525674028.db2.gz XMUBFNACGJTECF-DAYGRLMNSA-N 2 2 364.490 1.786 10 0 FDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N[C@H](C(=O)OC)[C@@H](C)CC)C1 ZINC000106215718 525674035 /nfs/dbraw/zinc/67/40/35/525674035.db2.gz XMUBFNACGJTECF-DAYGRLMNSA-N 2 2 364.490 1.786 10 0 FDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000119288222 525693367 /nfs/dbraw/zinc/69/33/67/525693367.db2.gz XZEJHUPZEZWDSZ-OAHLLOKOSA-N 2 2 359.474 1.947 10 0 FDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000119288222 525693375 /nfs/dbraw/zinc/69/33/75/525693375.db2.gz XZEJHUPZEZWDSZ-OAHLLOKOSA-N 2 2 359.474 1.947 10 0 FDAELP Cn1cc(C[N@@H+]2CCCN(C(=O)[C@@H](Cc3ccccc3)[NH+](C)C)CC2)cn1 ZINC000106918353 525824766 /nfs/dbraw/zinc/82/47/66/525824766.db2.gz MTUNJLNEKIXOTK-HXUWFJFHSA-N 2 2 369.513 1.627 10 0 FDAELP Cn1cc(C[N@H+]2CCCN(C(=O)[C@@H](Cc3ccccc3)[NH+](C)C)CC2)cn1 ZINC000106918353 525824778 /nfs/dbraw/zinc/82/47/78/525824778.db2.gz MTUNJLNEKIXOTK-HXUWFJFHSA-N 2 2 369.513 1.627 10 0 FDAELP Cc1cc(NC(=O)N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)cc[nH+]1 ZINC000119720002 525838127 /nfs/dbraw/zinc/83/81/27/525838127.db2.gz UDATYGQNBWMOJD-GOSISDBHSA-N 2 2 361.490 1.649 10 0 FDAELP Cc1cc(NC(=O)N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)cc[nH+]1 ZINC000119720002 525838132 /nfs/dbraw/zinc/83/81/32/525838132.db2.gz UDATYGQNBWMOJD-GOSISDBHSA-N 2 2 361.490 1.649 10 0 FDAELP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156360859 526118160 /nfs/dbraw/zinc/11/81/60/526118160.db2.gz VEBLLJBGSAGBMM-PVAVHDDUSA-N 2 2 360.458 1.939 10 0 FDAELP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156360859 526118167 /nfs/dbraw/zinc/11/81/67/526118167.db2.gz VEBLLJBGSAGBMM-PVAVHDDUSA-N 2 2 360.458 1.939 10 0 FDAELP CC[C@@H](O)C[NH+]1CCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000184857809 536187958 /nfs/dbraw/zinc/18/79/58/536187958.db2.gz COLUHQZQPBJCFB-QGZVFWFLSA-N 2 2 361.490 1.149 10 0 FDAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](C[C@H](O)CC(F)(F)F)CC2)C1 ZINC000189165147 537007410 /nfs/dbraw/zinc/00/74/10/537007410.db2.gz FUNOCIDEYBTDKY-CABCVRRESA-N 2 2 353.429 1.027 10 0 FDAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](C[C@H](O)CC(F)(F)F)CC2)C1 ZINC000189165147 537007413 /nfs/dbraw/zinc/00/74/13/537007413.db2.gz FUNOCIDEYBTDKY-CABCVRRESA-N 2 2 353.429 1.027 10 0 FDAELP C[N@H+](CCN1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1)Cc1ccccc1 ZINC000263307455 537014279 /nfs/dbraw/zinc/01/42/79/537014279.db2.gz YBAVTACBZYIMSH-QGZVFWFLSA-N 2 2 366.456 1.260 10 0 FDAELP C[N@@H+](CCN1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1)Cc1ccccc1 ZINC000263307455 537014283 /nfs/dbraw/zinc/01/42/83/537014283.db2.gz YBAVTACBZYIMSH-QGZVFWFLSA-N 2 2 366.456 1.260 10 0 FDAELP O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000246851216 537038647 /nfs/dbraw/zinc/03/86/47/537038647.db2.gz DZWDWJAWICWSPK-WOJBJXKFSA-N 2 2 372.513 1.767 10 0 FDAELP O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000246851216 537038650 /nfs/dbraw/zinc/03/86/50/537038650.db2.gz DZWDWJAWICWSPK-WOJBJXKFSA-N 2 2 372.513 1.767 10 0 FDAELP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000246926091 537052494 /nfs/dbraw/zinc/05/24/94/537052494.db2.gz JEIDUKUDNMCPAI-WOJBJXKFSA-N 2 2 373.497 1.211 10 0 FDAELP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000246926091 537052498 /nfs/dbraw/zinc/05/24/98/537052498.db2.gz JEIDUKUDNMCPAI-WOJBJXKFSA-N 2 2 373.497 1.211 10 0 FDAELP O[C@H](COCc1ccc(Cl)cc1)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246961709 537059351 /nfs/dbraw/zinc/05/93/51/537059351.db2.gz RNNSTIXLIFVHKT-HKUYNNGSSA-N 2 2 368.905 1.872 10 0 FDAELP O[C@H](COCc1ccc(Cl)cc1)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246961709 537059354 /nfs/dbraw/zinc/05/93/54/537059354.db2.gz RNNSTIXLIFVHKT-HKUYNNGSSA-N 2 2 368.905 1.872 10 0 FDAELP C[C@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000247185682 537091948 /nfs/dbraw/zinc/09/19/48/537091948.db2.gz LDBVDMHHHDULLD-PXNSSMCTSA-N 2 2 372.513 1.626 10 0 FDAELP C[C@H]1C[N@H+]2CCC[C@H]2CN1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000247185682 537091952 /nfs/dbraw/zinc/09/19/52/537091952.db2.gz LDBVDMHHHDULLD-PXNSSMCTSA-N 2 2 372.513 1.626 10 0 FDAELP C[C@@H]([NH2+]CC(=O)NCC(=O)OC(C)(C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189903412 537112918 /nfs/dbraw/zinc/11/29/18/537112918.db2.gz UYCYLFSEJJOHFN-CQSZACIVSA-N 2 2 358.442 1.981 10 0 FDAELP CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000247478370 537123394 /nfs/dbraw/zinc/12/33/94/537123394.db2.gz IWWYKYFRPRBUIO-FUHWJXTLSA-N 2 2 362.493 1.937 10 0 FDAELP CC[N@H+]1CCC[C@@H](NC(=O)[C@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000247478370 537123397 /nfs/dbraw/zinc/12/33/97/537123397.db2.gz IWWYKYFRPRBUIO-FUHWJXTLSA-N 2 2 362.493 1.937 10 0 FDAELP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000190355775 537167290 /nfs/dbraw/zinc/16/72/90/537167290.db2.gz YXLZULILBSPWJI-HZPDHXFCSA-N 2 2 368.441 1.291 10 0 FDAELP C([NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)C1([NH+]2CCCCC2)CCOCC1 ZINC000261990171 537253631 /nfs/dbraw/zinc/25/36/31/537253631.db2.gz SOQIIILWBIFQLP-OTWHNJEPSA-N 3 2 351.535 1.768 10 0 FDAELP O=C(CN1CC[N@@H+]2CCCC[C@H]2C1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000246194108 537664471 /nfs/dbraw/zinc/66/44/71/537664471.db2.gz MOMKIQHCKVBWNZ-FQEVSTJZSA-N 2 2 372.513 1.627 10 0 FDAELP O=C(CN1CC[N@H+]2CCCC[C@H]2C1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000246194108 537664474 /nfs/dbraw/zinc/66/44/74/537664474.db2.gz MOMKIQHCKVBWNZ-FQEVSTJZSA-N 2 2 372.513 1.627 10 0 FDAELP CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cncn1C)c1[nH+]cnc2c1cnn2C ZINC000583618216 551377459 /nfs/dbraw/zinc/37/74/59/551377459.db2.gz SEUFBYIIKUIYSL-XJKSGUPXSA-N 2 2 354.462 1.616 10 0 FDAELP CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1cncn1C)c1[nH+]cnc2c1cnn2C ZINC000583618216 551377461 /nfs/dbraw/zinc/37/74/61/551377461.db2.gz SEUFBYIIKUIYSL-XJKSGUPXSA-N 2 2 354.462 1.616 10 0 FDAELP Cn1c[nH+]c([C@@H]2CN(C(=O)COc3ccc(F)cc3Cl)C[C@H]2[NH3+])c1 ZINC000685943639 571104285 /nfs/dbraw/zinc/10/42/85/571104285.db2.gz ZTFSKRQXTSMVEJ-DGCLKSJQSA-N 2 2 352.797 1.545 10 0 FDAELP Cn1cc([C@H]2CCC[NH+]2CC(O)C[N@H+]2CCC[C@@H]2c2cnn(C)c2)cn1 ZINC000194475890 178213436 /nfs/dbraw/zinc/21/34/36/178213436.db2.gz RDWKNGOWRPZPGY-RTBURBONSA-N 2 2 358.490 1.489 10 0 FDAELP Cn1cc([C@H]2CCC[NH+]2CC(O)C[N@@H+]2CCC[C@@H]2c2cnn(C)c2)cn1 ZINC000194475890 178213438 /nfs/dbraw/zinc/21/34/38/178213438.db2.gz RDWKNGOWRPZPGY-RTBURBONSA-N 2 2 358.490 1.489 10 0 FDAELP Cc1cc(=O)n2nc(C[N@@H+]3CC[C@H](CNc4cccc[nH+]4)C3)sc2n1 ZINC000171644520 258266956 /nfs/dbraw/zinc/26/69/56/258266956.db2.gz PKKGVSBZNRLSJX-CYBMUJFWSA-N 2 2 356.455 1.788 10 0 FDAELP Cc1cc(=O)n2nc(C[N@H+]3CC[C@H](CNc4cccc[nH+]4)C3)sc2n1 ZINC000171644520 258266957 /nfs/dbraw/zinc/26/69/57/258266957.db2.gz PKKGVSBZNRLSJX-CYBMUJFWSA-N 2 2 356.455 1.788 10 0 FDAELP O=C([C@H]1CCCC[N@@H+]1Cc1ccccc1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173329112 258296405 /nfs/dbraw/zinc/29/64/05/258296405.db2.gz NXEYLEJSHAEUFC-VQTJNVASSA-N 2 2 357.498 1.974 10 0 FDAELP O=C([C@H]1CCCC[N@H+]1Cc1ccccc1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173329112 258296406 /nfs/dbraw/zinc/29/64/06/258296406.db2.gz NXEYLEJSHAEUFC-VQTJNVASSA-N 2 2 357.498 1.974 10 0 FDAELP CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)nc[nH+]1 ZINC000173423734 258299076 /nfs/dbraw/zinc/29/90/76/258299076.db2.gz QVTPBBJNBOURHX-CVEARBPZSA-N 2 2 371.489 1.143 10 0 FDAELP CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)[nH+]cn1 ZINC000173423734 258299077 /nfs/dbraw/zinc/29/90/77/258299077.db2.gz QVTPBBJNBOURHX-CVEARBPZSA-N 2 2 371.489 1.143 10 0 FDAELP C[C@H](CNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)[NH+]1CCOCC1 ZINC000071913284 172040109 /nfs/dbraw/zinc/04/01/09/172040109.db2.gz MDQSWMIJWQLNDR-MJGOQNOKSA-N 2 2 360.502 1.843 10 0 FDAELP C[C@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000074173913 172075085 /nfs/dbraw/zinc/07/50/85/172075085.db2.gz OKYXSPQEGFMDDH-DOTOQJQBSA-N 2 2 369.469 1.460 10 0 FDAELP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@@H](Oc4cccnc4)C3)cn2)CC1 ZINC000093691378 172319675 /nfs/dbraw/zinc/31/96/75/172319675.db2.gz ZYKBJHUACYJFKX-GOSISDBHSA-N 2 2 354.458 1.277 10 0 FDAELP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@@H](Oc4cccnc4)C3)cn2)CC1 ZINC000093691378 172319676 /nfs/dbraw/zinc/31/96/76/172319676.db2.gz ZYKBJHUACYJFKX-GOSISDBHSA-N 2 2 354.458 1.277 10 0 FDAELP C[C@H](CNC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[NH+]1CCOCC1 ZINC000103304919 172363868 /nfs/dbraw/zinc/36/38/68/172363868.db2.gz IAJNIDGOESIAJQ-QUCCMNQESA-N 2 2 374.529 1.571 10 0 FDAELP C[C@H](CNC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[NH+]1CCOCC1 ZINC000103304919 172363871 /nfs/dbraw/zinc/36/38/71/172363871.db2.gz IAJNIDGOESIAJQ-QUCCMNQESA-N 2 2 374.529 1.571 10 0 FDAELP O=C(NCc1ccccc1C[NH+]1CCOCC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105089231 172393759 /nfs/dbraw/zinc/39/37/59/172393759.db2.gz ABZYEIMEHCUHNF-HXUWFJFHSA-N 2 2 372.513 1.899 10 0 FDAELP O=C(NCc1ccccc1C[NH+]1CCOCC1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000105089231 172393760 /nfs/dbraw/zinc/39/37/60/172393760.db2.gz ABZYEIMEHCUHNF-HXUWFJFHSA-N 2 2 372.513 1.899 10 0 FDAELP O[C@H](COc1ccccc1)C[NH+]1CCN(Cc2cccc3[nH+]ccn32)CC1 ZINC000180132455 258362643 /nfs/dbraw/zinc/36/26/43/258362643.db2.gz PVTPABPSDTXSNN-IBGZPJMESA-N 2 2 366.465 1.892 10 0 FDAELP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)C[C@@H]1C ZINC000180757513 258374578 /nfs/dbraw/zinc/37/45/78/258374578.db2.gz ZKWKSDLCZRYZLC-JKSUJKDBSA-N 2 2 357.458 1.469 10 0 FDAELP C[C@@H](O)C[N@H+]1CCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)C[C@@H]1C ZINC000180757513 258374579 /nfs/dbraw/zinc/37/45/79/258374579.db2.gz ZKWKSDLCZRYZLC-JKSUJKDBSA-N 2 2 357.458 1.469 10 0 FDAELP CC(C)[C@@H](CNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)[NH+]1CCC(C)CC1 ZINC000173776786 258310296 /nfs/dbraw/zinc/31/02/96/258310296.db2.gz FHYPGSHITUDHEY-RBUKOAKNSA-N 2 2 366.550 1.859 10 0 FDAELP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000173780614 258310750 /nfs/dbraw/zinc/31/07/50/258310750.db2.gz JKBQOJTZFMACOJ-QZTJIDSGSA-N 2 2 373.501 1.686 10 0 FDAELP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000173780614 258310751 /nfs/dbraw/zinc/31/07/51/258310751.db2.gz JKBQOJTZFMACOJ-QZTJIDSGSA-N 2 2 373.501 1.686 10 0 FDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)N1CC(=O)Nc2ccccc21 ZINC000178751655 258334310 /nfs/dbraw/zinc/33/43/10/258334310.db2.gz GSGGQULXDSUNAJ-OAHLLOKOSA-N 2 2 353.426 1.641 10 0 FDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)N1CC(=O)Nc2ccccc21 ZINC000178751655 258334311 /nfs/dbraw/zinc/33/43/11/258334311.db2.gz GSGGQULXDSUNAJ-OAHLLOKOSA-N 2 2 353.426 1.641 10 0 FDAELP Cc1cc(N2CCC[C@@H]([NH2+]Cc3c[nH+]c4ccc(C)cn34)C2=O)n(C)n1 ZINC000178916325 258339495 /nfs/dbraw/zinc/33/94/95/258339495.db2.gz SZPMLPHHWMRLGL-MRXNPFEDSA-N 2 2 352.442 1.970 10 0 FDAELP C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2nc(C3CC3)[nH+]c3c2CCC3)CC1 ZINC000329103781 259077764 /nfs/dbraw/zinc/07/77/64/259077764.db2.gz DIZAIYSHDAUSEC-KRWDZBQOSA-N 2 2 355.486 1.586 10 0 FDAELP Cc1cc2ncc(C(=O)N3CC[N@H+](C4CC[NH+](C)CC4)[C@H](C)C3)c(C)n2n1 ZINC000329115002 259078218 /nfs/dbraw/zinc/07/82/18/259078218.db2.gz SOGGYYGOHLSPMQ-OAHLLOKOSA-N 2 2 370.501 1.587 10 0 FDAELP Cc1cc2ncc(C(=O)N3CC[N@@H+](C4CC[NH+](C)CC4)[C@H](C)C3)c(C)n2n1 ZINC000329115002 259078219 /nfs/dbraw/zinc/07/82/19/259078219.db2.gz SOGGYYGOHLSPMQ-OAHLLOKOSA-N 2 2 370.501 1.587 10 0 FDAELP C[C@H](CC[N@@H+]1CCC[C@H](c2nnc[nH]2)C1)[NH+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000330303222 259138848 /nfs/dbraw/zinc/13/88/48/259138848.db2.gz PABSJCIBCKXEIH-OWCLPIDISA-N 2 2 358.494 1.760 10 0 FDAELP C[C@H](CC[N@H+]1CCC[C@H](c2nnc[nH]2)C1)[NH+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000330303222 259138849 /nfs/dbraw/zinc/13/88/49/259138849.db2.gz PABSJCIBCKXEIH-OWCLPIDISA-N 2 2 358.494 1.760 10 0 FDAELP C[C@H](CC[NH+]1CCC[C@H](c2nnc[nH]2)C1)[N@@H+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000330303222 259138850 /nfs/dbraw/zinc/13/88/50/259138850.db2.gz PABSJCIBCKXEIH-OWCLPIDISA-N 2 2 358.494 1.760 10 0 FDAELP C[C@H](CC[NH+]1CCC[C@H](c2nnc[nH]2)C1)[N@H+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000330303222 259138851 /nfs/dbraw/zinc/13/88/51/259138851.db2.gz PABSJCIBCKXEIH-OWCLPIDISA-N 2 2 358.494 1.760 10 0 FDAELP C[NH+]1CCN(C(=O)c2cccc(N3CC[NH2+][C@H](c4ccccc4)C3)n2)CC1 ZINC000065256213 522796655 /nfs/dbraw/zinc/79/66/55/522796655.db2.gz PRWPOYAUZVAWQX-IBGZPJMESA-N 2 2 365.481 1.620 10 0 FDAELP COC(=O)C1CCN(C(=O)[C@@H](C)[NH+]2CCC([NH+]3CCCC3)CC2)CC1 ZINC000066533097 523099683 /nfs/dbraw/zinc/09/96/83/523099683.db2.gz DIQVDCAAOUZEDA-OAHLLOKOSA-N 2 2 351.491 1.347 10 0 FDAELP CC(C)[C@H](CNC(=O)NC[C@@H](C)[NH+]1CCOCC1)[NH+]1CCC(C)CC1 ZINC000121941922 524413467 /nfs/dbraw/zinc/41/34/67/524413467.db2.gz UYVYCWBWBGHYAD-MSOLQXFVSA-N 2 2 354.539 1.763 10 0 FDAELP COc1cc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)ccc1S(C)(=O)=O ZINC000151291702 524550248 /nfs/dbraw/zinc/55/02/48/524550248.db2.gz GRJFMKQVHACNFF-ZBFHGGJFSA-N 2 2 370.515 1.596 10 0 FDAELP Cc1ccc([C@H](O)C[NH+]2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)cc1 ZINC000174782892 524737170 /nfs/dbraw/zinc/73/71/70/524737170.db2.gz JCUSTNAYSIWQHF-LEWJYISDSA-N 2 2 361.530 1.755 10 0 FDAELP Cc1ccc([C@H](O)C[NH+]2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)cc1 ZINC000174782892 524737176 /nfs/dbraw/zinc/73/71/76/524737176.db2.gz JCUSTNAYSIWQHF-LEWJYISDSA-N 2 2 361.530 1.755 10 0 FDAELP CC[NH+]1CCN(C(=O)NC[C@@H](c2cccs2)[N@@H+]2CCO[C@H](C)C2)CC1 ZINC000175026977 524843039 /nfs/dbraw/zinc/84/30/39/524843039.db2.gz QLTDKVYQIWNORN-CVEARBPZSA-N 2 2 366.531 1.857 10 0 FDAELP CC[NH+]1CCN(C(=O)NC[C@@H](c2cccs2)[N@H+]2CCO[C@H](C)C2)CC1 ZINC000175026977 524843049 /nfs/dbraw/zinc/84/30/49/524843049.db2.gz QLTDKVYQIWNORN-CVEARBPZSA-N 2 2 366.531 1.857 10 0 FDAELP CCC[C@@H](C(=O)OCC)[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000114802859 524880961 /nfs/dbraw/zinc/88/09/61/524880961.db2.gz IVQTUAGKHIUSCL-MSOLQXFVSA-N 2 2 355.523 1.445 10 0 FDAELP CCC[C@@H](C(=O)OCC)[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000114802859 524880972 /nfs/dbraw/zinc/88/09/72/524880972.db2.gz IVQTUAGKHIUSCL-MSOLQXFVSA-N 2 2 355.523 1.445 10 0 FDAELP COCCCS(=O)(=O)NCC[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000175252721 524921336 /nfs/dbraw/zinc/92/13/36/524921336.db2.gz FLXWNIFSUMSVBC-MRXNPFEDSA-N 2 2 370.519 1.080 10 0 FDAELP COCCCS(=O)(=O)NCC[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000175252721 524921348 /nfs/dbraw/zinc/92/13/48/524921348.db2.gz FLXWNIFSUMSVBC-MRXNPFEDSA-N 2 2 370.519 1.080 10 0 FDAELP C[C@@H](CCNC(=O)NC[C@H](C)[NH+]1CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000175273222 524924864 /nfs/dbraw/zinc/92/48/64/524924864.db2.gz MAORBWYWBIYTRT-ROUUACIJSA-N 2 2 362.518 1.917 10 0 FDAELP C[C@@H](CCNC(=O)NC[C@H](C)[NH+]1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000175273222 524924875 /nfs/dbraw/zinc/92/48/75/524924875.db2.gz MAORBWYWBIYTRT-ROUUACIJSA-N 2 2 362.518 1.917 10 0 FDAELP CC[C@@H]1CN(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)CC[N@@H+]1CCOC ZINC000117469725 525343052 /nfs/dbraw/zinc/34/30/52/525343052.db2.gz MXZLYWBQHVIGEG-CVEARBPZSA-N 2 2 352.479 1.635 10 0 FDAELP CC[C@@H]1CN(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)CC[N@H+]1CCOC ZINC000117469725 525343058 /nfs/dbraw/zinc/34/30/58/525343058.db2.gz MXZLYWBQHVIGEG-CVEARBPZSA-N 2 2 352.479 1.635 10 0 FDAELP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000178887610 525499656 /nfs/dbraw/zinc/49/96/56/525499656.db2.gz DEQOJNBTDIWRSN-HXUWFJFHSA-N 2 2 367.497 1.568 10 0 FDAELP C[NH+](C)C[C@@H]1CN(C(=O)Nc2ccccc2C[NH+]2CCOCC2)CCO1 ZINC000118808956 525548133 /nfs/dbraw/zinc/54/81/33/525548133.db2.gz YSOLVIJEFMAMAQ-QGZVFWFLSA-N 2 2 362.474 1.313 10 0 FDAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](CCOc3ccccc3F)CC2)C1 ZINC000106123566 525618271 /nfs/dbraw/zinc/61/82/71/525618271.db2.gz OMNPUEOOVHNQCG-GOSISDBHSA-N 2 2 365.493 1.931 10 0 FDAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](CCOc3ccccc3F)CC2)C1 ZINC000106123566 525618277 /nfs/dbraw/zinc/61/82/77/525618277.db2.gz OMNPUEOOVHNQCG-GOSISDBHSA-N 2 2 365.493 1.931 10 0 FDAELP Cc1cc(NC(=O)[C@@H](C)[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)on1 ZINC000106129257 525619785 /nfs/dbraw/zinc/61/97/85/525619785.db2.gz RVJXOTLZOJEUNE-OAHLLOKOSA-N 2 2 360.462 1.603 10 0 FDAELP Cc1cc(NC(=O)[C@@H](C)[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)on1 ZINC000106129257 525619791 /nfs/dbraw/zinc/61/97/91/525619791.db2.gz RVJXOTLZOJEUNE-OAHLLOKOSA-N 2 2 360.462 1.603 10 0 FDAELP Cc1cccc([C@@H](CNC(=O)N2CC[C@@H]([NH+](C)C)C2)[NH+]2CCOCC2)c1 ZINC000170829497 525726717 /nfs/dbraw/zinc/72/67/17/525726717.db2.gz FXLDETIQQXIKSQ-RTBURBONSA-N 2 2 360.502 1.714 10 0 FDAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H]2CCN(c3ccccc3)C2=O)nc[nH+]1 ZINC000109328637 526109113 /nfs/dbraw/zinc/10/91/13/526109113.db2.gz ABERMUMRFCLNHG-DLBZAZTESA-N 2 2 366.469 1.882 10 0 FDAELP O=C(NCc1ccccc1C[NH+]1CCOCC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171898864 526172318 /nfs/dbraw/zinc/17/23/18/526172318.db2.gz ZAAOWBMYRVALLQ-IBGZPJMESA-N 2 2 358.486 1.508 10 0 FDAELP O=C(NCc1ccccc1C[NH+]1CCOCC1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000171898864 526172331 /nfs/dbraw/zinc/17/23/31/526172331.db2.gz ZAAOWBMYRVALLQ-IBGZPJMESA-N 2 2 358.486 1.508 10 0 FDAELP Cn1cc[nH+]c1CN(C(=O)c1cccc2c1OCO2)[C@@H]1CC12CC[NH2+]CC2 ZINC000262061165 527429139 /nfs/dbraw/zinc/42/91/39/527429139.db2.gz ZDUJODHNBTVLHV-MRXNPFEDSA-N 2 2 368.437 1.933 10 0 FDAELP COC(=O)COc1ccccc1[C@H](C)[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000183397740 535973667 /nfs/dbraw/zinc/97/36/67/535973667.db2.gz URLBWOZNWUNQIQ-HOTGVXAUSA-N 2 2 350.459 1.736 10 0 FDAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](C[C@H](O)CC(F)(F)F)CC2)C1 ZINC000189165124 537007209 /nfs/dbraw/zinc/00/72/09/537007209.db2.gz FUNOCIDEYBTDKY-HUUCEWRRSA-N 2 2 353.429 1.027 10 0 FDAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](C[C@H](O)CC(F)(F)F)CC2)C1 ZINC000189165124 537007212 /nfs/dbraw/zinc/00/72/12/537007212.db2.gz FUNOCIDEYBTDKY-HUUCEWRRSA-N 2 2 353.429 1.027 10 0 FDAELP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CC(F)(F)C[NH2+]3)C2)cc(OC)c1 ZINC000263317940 537016805 /nfs/dbraw/zinc/01/68/05/537016805.db2.gz ZTKRILXOQHAFPM-CJNGLKHVSA-N 2 2 369.412 1.392 10 0 FDAELP COc1cc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CC(F)(F)C[NH2+]3)C2)cc(OC)c1 ZINC000263317940 537016811 /nfs/dbraw/zinc/01/68/11/537016811.db2.gz ZTKRILXOQHAFPM-CJNGLKHVSA-N 2 2 369.412 1.392 10 0 FDAELP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000246795041 537028490 /nfs/dbraw/zinc/02/84/90/537028490.db2.gz ASXFXDNBCWSEBF-GUDVDZBRSA-N 2 2 366.550 1.861 10 0 FDAELP O=C(NC[C@@H](c1ccccc1)[NH+]1CCOCC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247370965 537114555 /nfs/dbraw/zinc/11/45/55/537114555.db2.gz FBROZUMADMKULZ-OALUTQOASA-N 2 2 358.486 1.550 10 0 FDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N[C@H](C(=O)OC)[C@H](C)CC)C1 ZINC000247870871 537154691 /nfs/dbraw/zinc/15/46/91/537154691.db2.gz XMUBFNACGJTECF-RKVPGOIHSA-N 2 2 364.490 1.786 10 0 FDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N[C@H](C(=O)OC)[C@H](C)CC)C1 ZINC000247870871 537154695 /nfs/dbraw/zinc/15/46/95/537154695.db2.gz XMUBFNACGJTECF-RKVPGOIHSA-N 2 2 364.490 1.786 10 0 FDAELP C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)C[C@H]1[NH+]1CCOCC1 ZINC000248130113 537167940 /nfs/dbraw/zinc/16/79/40/537167940.db2.gz WKAWWTLWNZKRDB-AFYVEPGGSA-N 2 2 372.513 1.794 10 0 FDAELP C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)C[C@H]1[NH+]1CCOCC1 ZINC000248130113 537167942 /nfs/dbraw/zinc/16/79/42/537167942.db2.gz WKAWWTLWNZKRDB-AFYVEPGGSA-N 2 2 372.513 1.794 10 0 FDAELP CC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000249685607 537240384 /nfs/dbraw/zinc/24/03/84/537240384.db2.gz NSNCLZSFWUCBIS-PWIZWCRZSA-N 2 2 372.513 1.366 10 0 FDAELP CC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000249685607 537240385 /nfs/dbraw/zinc/24/03/85/537240385.db2.gz NSNCLZSFWUCBIS-PWIZWCRZSA-N 2 2 372.513 1.366 10 0 FDAELP CC(=O)N[C@@H]1CCC[NH+]([C@@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000249685607 537240387 /nfs/dbraw/zinc/24/03/87/537240387.db2.gz NSNCLZSFWUCBIS-PWIZWCRZSA-N 2 2 372.513 1.366 10 0 FDAELP CC(=O)N[C@@H]1CCC[NH+]([C@@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000249685607 537240388 /nfs/dbraw/zinc/24/03/88/537240388.db2.gz NSNCLZSFWUCBIS-PWIZWCRZSA-N 2 2 372.513 1.366 10 0 FDAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCN2C(=O)NC(C)(C)C2=O)C1 ZINC000195272477 537384955 /nfs/dbraw/zinc/38/49/55/537384955.db2.gz VDSVQECJMPUXOH-MRXNPFEDSA-N 2 2 359.474 1.166 10 0 FDAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCN2C(=O)NC(C)(C)C2=O)C1 ZINC000195272477 537384965 /nfs/dbraw/zinc/38/49/65/537384965.db2.gz VDSVQECJMPUXOH-MRXNPFEDSA-N 2 2 359.474 1.166 10 0 FDAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](CCN2C(=O)NC(C)(C)C2=O)C1 ZINC000195272477 537384971 /nfs/dbraw/zinc/38/49/71/537384971.db2.gz VDSVQECJMPUXOH-MRXNPFEDSA-N 2 2 359.474 1.166 10 0 FDAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CCN2C(=O)NC(C)(C)C2=O)C1 ZINC000195272477 537384983 /nfs/dbraw/zinc/38/49/83/537384983.db2.gz VDSVQECJMPUXOH-MRXNPFEDSA-N 2 2 359.474 1.166 10 0 FDAELP CCn1cc[nH+]c1CN(CC(=O)NCC(F)(F)F)[C@H]1CC12CC[NH2+]CC2 ZINC000261819906 571023094 /nfs/dbraw/zinc/02/30/94/571023094.db2.gz UIWOVPJFJCDYCZ-ZDUSSCGKSA-N 2 2 373.423 1.526 10 0 FDAELP NC(=O)c1cnn2c1CC[C@H](C[NH2+]C1CCN(c3cccc[nH+]3)CC1)C2 ZINC000328640787 571325670 /nfs/dbraw/zinc/32/56/70/571325670.db2.gz QEMUGBOFELGJOI-CQSZACIVSA-N 2 2 354.458 1.982 10 0 FDAELP CCOC1CC(CNC(=O)NC[C@H](C)[NH+](CC)CC)([NH+]2CCOCC2)C1 ZINC000192494575 178117064 /nfs/dbraw/zinc/11/70/64/178117064.db2.gz RJXUQRQIMUQIQY-MUYFXNHWSA-N 2 2 370.538 1.286 10 0 FDAELP COc1cc(OC)cc([C@H](NC(=O)[C@H]2CCC[NH2+]C2)c2[nH+]ccn2C)c1 ZINC000195142510 178242305 /nfs/dbraw/zinc/24/23/05/178242305.db2.gz XKJSOZQTKXPFLM-GUYCJALGSA-N 2 2 358.442 1.643 10 0 FDAELP C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)C[C@@H]1C ZINC000245928356 178390745 /nfs/dbraw/zinc/39/07/45/178390745.db2.gz ZKWKSDLCZRYZLC-HOTGVXAUSA-N 2 2 357.458 1.469 10 0 FDAELP C[C@H](O)C[N@H+]1CCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)C[C@@H]1C ZINC000245928356 178390746 /nfs/dbraw/zinc/39/07/46/178390746.db2.gz ZKWKSDLCZRYZLC-HOTGVXAUSA-N 2 2 357.458 1.469 10 0 FDAELP C[C@H](NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)[C@@H]1CCCO1 ZINC000245952634 178392059 /nfs/dbraw/zinc/39/20/59/178392059.db2.gz VVERQFGTNMYWJI-AQDBYXPISA-N 2 2 350.507 1.506 10 0 FDAELP C[C@H](NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)[C@@H]1CCCO1 ZINC000245952634 178392063 /nfs/dbraw/zinc/39/20/63/178392063.db2.gz VVERQFGTNMYWJI-AQDBYXPISA-N 2 2 350.507 1.506 10 0 FDAELP COc1nc(N2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)ncc1Br ZINC000261755324 178614517 /nfs/dbraw/zinc/61/45/17/178614517.db2.gz CLEGJVIVMFYXCO-GFCCVEGCSA-N 2 2 370.295 1.369 10 0 FDAELP Fc1ccccc1C[N@@H+]1CCOC[C@@]2(CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000306142716 210056934 /nfs/dbraw/zinc/05/69/34/210056934.db2.gz XHFNQFKUZYJZFI-UYAOXDASSA-N 2 2 364.461 1.908 10 0 FDAELP Fc1ccccc1C[N@H+]1CCOC[C@@]2(CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000306142716 210056939 /nfs/dbraw/zinc/05/69/39/210056939.db2.gz XHFNQFKUZYJZFI-UYAOXDASSA-N 2 2 364.461 1.908 10 0 FDAELP CCOC(=O)C1CCN(C(=O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)CC1 ZINC000171648059 258267200 /nfs/dbraw/zinc/26/72/00/258267200.db2.gz LXCNKKAIKZBZKS-INIZCTEOSA-N 2 2 374.485 1.617 10 0 FDAELP CCOC(=O)C1CCN(C(=O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)CC1 ZINC000171648059 258267201 /nfs/dbraw/zinc/26/72/01/258267201.db2.gz LXCNKKAIKZBZKS-INIZCTEOSA-N 2 2 374.485 1.617 10 0 FDAELP CCCC[C@@H](C(=O)OC)[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000173335182 258296474 /nfs/dbraw/zinc/29/64/74/258296474.db2.gz GIKMKEDXEKBHCG-ROUUACIJSA-N 2 2 355.523 1.445 10 0 FDAELP CCCC[C@@H](C(=O)OC)[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000173335182 258296475 /nfs/dbraw/zinc/29/64/75/258296475.db2.gz GIKMKEDXEKBHCG-ROUUACIJSA-N 2 2 355.523 1.445 10 0 FDAELP C[C@@H](CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)[NH+]1CCOCC1 ZINC000071913094 172040452 /nfs/dbraw/zinc/04/04/52/172040452.db2.gz GAYOBIJEMWQKGR-HOTGVXAUSA-N 2 2 350.463 1.436 10 0 FDAELP C[C@@H](NC(=O)NCCC[NH+]1CCOCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000073426095 172061918 /nfs/dbraw/zinc/06/19/18/172061918.db2.gz METDTKKJOUUWSC-MRXNPFEDSA-N 2 2 357.458 1.955 10 0 FDAELP O=C(C[NH+]1CCN(c2ccccn2)CC1)N1CCC([NH+]2CCCC2)CC1 ZINC000076323686 172106294 /nfs/dbraw/zinc/10/62/94/172106294.db2.gz SZPATRLVENOWHI-UHFFFAOYSA-N 2 2 357.502 1.290 10 0 FDAELP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@H](Oc4cccnc4)C3)cn2)CC1 ZINC000093691376 172319010 /nfs/dbraw/zinc/31/90/10/172319010.db2.gz ZYKBJHUACYJFKX-SFHVURJKSA-N 2 2 354.458 1.277 10 0 FDAELP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@H](Oc4cccnc4)C3)cn2)CC1 ZINC000093691376 172319012 /nfs/dbraw/zinc/31/90/12/172319012.db2.gz ZYKBJHUACYJFKX-SFHVURJKSA-N 2 2 354.458 1.277 10 0 FDAELP Cc1ccc([C@@H](CNC(=O)NC[C@@H](C)[NH+]2CCOCC2)[NH+]2CCCC2)o1 ZINC000102038232 172344470 /nfs/dbraw/zinc/34/44/70/172344470.db2.gz AZTNZMMQQUSAGZ-NVXWUHKLSA-N 2 2 364.490 1.745 10 0 FDAELP O=C(NCc1ccccc1C[NH+]1CCOCC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000105089232 172394103 /nfs/dbraw/zinc/39/41/03/172394103.db2.gz ABZYEIMEHCUHNF-FQEVSTJZSA-N 2 2 372.513 1.899 10 0 FDAELP O=C(NCc1ccccc1C[NH+]1CCOCC1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000105089232 172394105 /nfs/dbraw/zinc/39/41/05/172394105.db2.gz ABZYEIMEHCUHNF-FQEVSTJZSA-N 2 2 372.513 1.899 10 0 FDAELP COCC[N@H+](C)CCCC1CCN(C(=O)NC[C@H]2C[NH+](C)CCO2)CC1 ZINC000127178155 173067064 /nfs/dbraw/zinc/06/70/64/173067064.db2.gz PWOUWZJXRINRPO-SFHVURJKSA-N 2 2 370.538 1.097 10 0 FDAELP COCC[N@@H+](C)CCCC1CCN(C(=O)NC[C@H]2C[NH+](C)CCO2)CC1 ZINC000127178155 173067068 /nfs/dbraw/zinc/06/70/68/173067068.db2.gz PWOUWZJXRINRPO-SFHVURJKSA-N 2 2 370.538 1.097 10 0 FDAELP COCC[NH+](C)CCCC1CCN(C(=O)NC[C@H]2C[N@H+](C)CCO2)CC1 ZINC000127178155 173067070 /nfs/dbraw/zinc/06/70/70/173067070.db2.gz PWOUWZJXRINRPO-SFHVURJKSA-N 2 2 370.538 1.097 10 0 FDAELP COCC[NH+](C)CCCC1CCN(C(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000127178155 173067072 /nfs/dbraw/zinc/06/70/72/173067072.db2.gz PWOUWZJXRINRPO-SFHVURJKSA-N 2 2 370.538 1.097 10 0 FDAELP Cc1ncc(C[NH+]2CCN(C(=O)N[C@@H]3CC[C@@H]([NH+](C)C)C3)CC2)s1 ZINC000129565686 173144111 /nfs/dbraw/zinc/14/41/11/173144111.db2.gz UUNNPIWSMUMVKM-HUUCEWRRSA-N 2 2 351.520 1.761 10 0 FDAELP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000151303286 173397243 /nfs/dbraw/zinc/39/72/43/173397243.db2.gz GYPHIDFBGKQLNW-GDBMZVCRSA-N 2 2 355.504 1.092 10 0 FDAELP Cc1ccc([C@H](CNC(=O)N2CC[C@H]([NH+](C)C)C2)[NH+]2CCOCC2)s1 ZINC000175011588 173979081 /nfs/dbraw/zinc/97/90/81/173979081.db2.gz VSCIJFZNKMKKMP-HOTGVXAUSA-N 2 2 366.531 1.775 10 0 FDAELP CC[N@@H+]1CCC[C@@H]1CN(C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000175360386 174001194 /nfs/dbraw/zinc/00/11/94/174001194.db2.gz GFQGQYJITZWLQD-GOSISDBHSA-N 2 2 359.518 1.536 10 0 FDAELP CC[N@H+]1CCC[C@@H]1CN(C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000175360386 174001195 /nfs/dbraw/zinc/00/11/95/174001195.db2.gz GFQGQYJITZWLQD-GOSISDBHSA-N 2 2 359.518 1.536 10 0 FDAELP O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173773870 258310743 /nfs/dbraw/zinc/31/07/43/258310743.db2.gz DNIUOSVATGDOPU-VQTJNVASSA-N 2 2 372.513 1.940 10 0 FDAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)C(=O)NCc2cccs2)nc[nH+]1 ZINC000174285400 258322542 /nfs/dbraw/zinc/32/25/42/258322542.db2.gz RHVHTDNIEAKHJY-KGLIPLIRSA-N 2 2 374.514 1.843 10 0 FDAELP CC[C@@H]1CN(C(=O)NCc2cccnc2-n2cc[nH+]c2)CC[N@@H+]1C[C@H](C)O ZINC000248455935 258399699 /nfs/dbraw/zinc/39/96/99/258399699.db2.gz MSRFXWZVXOOGGD-DOTOQJQBSA-N 2 2 372.473 1.254 10 0 FDAELP CC[C@@H]1CN(C(=O)NCc2cccnc2-n2cc[nH+]c2)CC[N@H+]1C[C@H](C)O ZINC000248455935 258399700 /nfs/dbraw/zinc/39/97/00/258399700.db2.gz MSRFXWZVXOOGGD-DOTOQJQBSA-N 2 2 372.473 1.254 10 0 FDAELP CCNC(=O)[C@@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2)C[N@@H+]1C1CCCC1 ZINC000096147769 222049117 /nfs/dbraw/zinc/04/91/17/222049117.db2.gz GQRRUBVQDYHHBY-RDJZCZTQSA-N 2 2 361.490 1.301 10 0 FDAELP CCNC(=O)[C@@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2)C[N@H+]1C1CCCC1 ZINC000096147769 222049119 /nfs/dbraw/zinc/04/91/19/222049119.db2.gz GQRRUBVQDYHHBY-RDJZCZTQSA-N 2 2 361.490 1.301 10 0 FDAELP C[C@@H]1CCN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)[C@@H](C[NH3+])C1 ZINC000333947751 259396900 /nfs/dbraw/zinc/39/69/00/259396900.db2.gz VUTNQDNDJRRDAB-CRAIPNDOSA-N 3 2 351.539 1.314 10 0 FDAELP O=C(CN1CCC[N@@H+](C2CC2)CC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000061041176 522434802 /nfs/dbraw/zinc/43/48/02/522434802.db2.gz YMSJLOJEPJTSTK-UHFFFAOYSA-N 2 2 362.543 1.562 10 0 FDAELP O=C(CN1CCC[N@H+](C2CC2)CC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000061041176 522434812 /nfs/dbraw/zinc/43/48/12/522434812.db2.gz YMSJLOJEPJTSTK-UHFFFAOYSA-N 2 2 362.543 1.562 10 0 FDAELP CCOCC[N@@H+]1CCN(C(=O)NCC[NH+]2CCOC(C)(C)C2)C[C@H]1CC ZINC000172131541 524126904 /nfs/dbraw/zinc/12/69/04/524126904.db2.gz OLFZCIDXJGYABN-QGZVFWFLSA-N 2 2 370.538 1.240 10 0 FDAELP CCOCC[N@H+]1CCN(C(=O)NCC[NH+]2CCOC(C)(C)C2)C[C@H]1CC ZINC000172131541 524126908 /nfs/dbraw/zinc/12/69/08/524126908.db2.gz OLFZCIDXJGYABN-QGZVFWFLSA-N 2 2 370.538 1.240 10 0 FDAELP CCOCC[NH+]1CCN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C[C@H]1CC ZINC000172131541 524126912 /nfs/dbraw/zinc/12/69/12/524126912.db2.gz OLFZCIDXJGYABN-QGZVFWFLSA-N 2 2 370.538 1.240 10 0 FDAELP CCOCC[NH+]1CCN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)C[C@H]1CC ZINC000172131541 524126915 /nfs/dbraw/zinc/12/69/15/524126915.db2.gz OLFZCIDXJGYABN-QGZVFWFLSA-N 2 2 370.538 1.240 10 0 FDAELP Cc1cccc(CNC(=O)C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1 ZINC000111228463 524225432 /nfs/dbraw/zinc/22/54/32/524225432.db2.gz WXINMEGHDXXRBR-UHFFFAOYSA-N 2 2 369.513 1.904 10 0 FDAELP Cc1cccc(CNC(=O)C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1 ZINC000111228463 524225439 /nfs/dbraw/zinc/22/54/39/524225439.db2.gz WXINMEGHDXXRBR-UHFFFAOYSA-N 2 2 369.513 1.904 10 0 FDAELP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000112921735 524598614 /nfs/dbraw/zinc/59/86/14/524598614.db2.gz IZUXOHUFXBFYCV-QUCCMNQESA-N 2 2 360.546 1.549 10 0 FDAELP CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000112921735 524598622 /nfs/dbraw/zinc/59/86/22/524598622.db2.gz IZUXOHUFXBFYCV-QUCCMNQESA-N 2 2 360.546 1.549 10 0 FDAELP CCOCC[N@@H+]1CCN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)C[C@@H]1CC ZINC000116769269 525208029 /nfs/dbraw/zinc/20/80/29/525208029.db2.gz ZPHXMQJRUXCPAQ-KRWDZBQOSA-N 2 2 357.458 1.840 10 0 FDAELP CCOCC[N@H+]1CCN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)C[C@@H]1CC ZINC000116769269 525208037 /nfs/dbraw/zinc/20/80/37/525208037.db2.gz ZPHXMQJRUXCPAQ-KRWDZBQOSA-N 2 2 357.458 1.840 10 0 FDAELP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000177245111 525260392 /nfs/dbraw/zinc/26/03/92/525260392.db2.gz CJVDVNWNTVWZQJ-WBVHZDCISA-N 2 2 369.531 1.434 10 0 FDAELP O=C(NCCCn1cc[nH+]c1)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000117021789 525268301 /nfs/dbraw/zinc/26/83/01/525268301.db2.gz QTOYABCTBQLSIS-SFHVURJKSA-N 2 2 357.458 1.334 10 0 FDAELP C[C@H](CNC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000126506960 525319241 /nfs/dbraw/zinc/31/92/41/525319241.db2.gz WSAOEDSBUPMGKX-MRXNPFEDSA-N 2 2 364.490 1.606 10 0 FDAELP C[N@@H+]1CCO[C@H](CNC(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000105278890 525487023 /nfs/dbraw/zinc/48/70/23/525487023.db2.gz PDZBDCNVRHVRJM-GOSISDBHSA-N 2 2 362.474 1.013 10 0 FDAELP C[N@H+]1CCO[C@H](CNC(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000105278890 525487026 /nfs/dbraw/zinc/48/70/26/525487026.db2.gz PDZBDCNVRHVRJM-GOSISDBHSA-N 2 2 362.474 1.013 10 0 FDAELP CCC(C)(C)NC(=O)[C@H](C)[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000106121785 525612364 /nfs/dbraw/zinc/61/23/64/525612364.db2.gz MHGFYETXMJJIAJ-ZWKOTPCHSA-N 2 2 368.566 1.407 10 0 FDAELP CCC(C)(C)NC(=O)[C@H](C)[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000106121785 525612368 /nfs/dbraw/zinc/61/23/68/525612368.db2.gz MHGFYETXMJJIAJ-ZWKOTPCHSA-N 2 2 368.566 1.407 10 0 FDAELP C[N@H+](C[C@H](O)COc1ccccc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000106129316 525621552 /nfs/dbraw/zinc/62/15/52/525621552.db2.gz HMCAHSXUFUUEHT-IBGZPJMESA-N 2 2 358.486 1.719 10 0 FDAELP C[N@@H+](C[C@H](O)COc1ccccc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000106129316 525621565 /nfs/dbraw/zinc/62/15/65/525621565.db2.gz HMCAHSXUFUUEHT-IBGZPJMESA-N 2 2 358.486 1.719 10 0 FDAELP CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NC[C@@H]3C[NH+](C)CCO3)c2C1 ZINC000170683344 525677502 /nfs/dbraw/zinc/67/75/02/525677502.db2.gz IMTOQMNZYLSXKX-OAHLLOKOSA-N 2 2 368.481 1.673 10 0 FDAELP CC[N@H+]1CCc2nc3ccccc3c(C(=O)NC[C@@H]3C[NH+](C)CCO3)c2C1 ZINC000170683344 525677515 /nfs/dbraw/zinc/67/75/15/525677515.db2.gz IMTOQMNZYLSXKX-OAHLLOKOSA-N 2 2 368.481 1.673 10 0 FDAELP CC[NH+]1CCc2nc3ccccc3c(C(=O)NC[C@@H]3C[N@H+](C)CCO3)c2C1 ZINC000170683344 525677519 /nfs/dbraw/zinc/67/75/19/525677519.db2.gz IMTOQMNZYLSXKX-OAHLLOKOSA-N 2 2 368.481 1.673 10 0 FDAELP CC[NH+]1CCc2nc3ccccc3c(C(=O)NC[C@@H]3C[N@@H+](C)CCO3)c2C1 ZINC000170683344 525677529 /nfs/dbraw/zinc/67/75/29/525677529.db2.gz IMTOQMNZYLSXKX-OAHLLOKOSA-N 2 2 368.481 1.673 10 0 FDAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](CCC(=O)c3ccccc3)CC2)C1 ZINC000182236190 526105075 /nfs/dbraw/zinc/10/50/75/526105075.db2.gz ODQFNADUIZFLCE-FQEVSTJZSA-N 2 2 359.514 1.986 10 0 FDAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](CCC(=O)c3ccccc3)CC2)C1 ZINC000182236190 526105085 /nfs/dbraw/zinc/10/50/85/526105085.db2.gz ODQFNADUIZFLCE-FQEVSTJZSA-N 2 2 359.514 1.986 10 0 FDAELP C(N1CC[N@@H+]2CCCC[C@@H]2C1)C1(C[NH+]2CCN3CCCC[C@H]3C2)COC1 ZINC000182340139 526139962 /nfs/dbraw/zinc/13/99/62/526139962.db2.gz LBLKPFWHHOBXHH-BGYRXZFFSA-N 2 2 362.562 1.343 10 0 FDAELP C(N1CC[N@H+]2CCCC[C@@H]2C1)C1(C[NH+]2CCN3CCCC[C@H]3C2)COC1 ZINC000182340139 526139975 /nfs/dbraw/zinc/13/99/75/526139975.db2.gz LBLKPFWHHOBXHH-BGYRXZFFSA-N 2 2 362.562 1.343 10 0 FDAELP C(N1CC[NH+]2CCCC[C@@H]2C1)C1(C[N@@H+]2CCN3CCCC[C@H]3C2)COC1 ZINC000182340139 526139987 /nfs/dbraw/zinc/13/99/87/526139987.db2.gz LBLKPFWHHOBXHH-BGYRXZFFSA-N 2 2 362.562 1.343 10 0 FDAELP C(N1CC[NH+]2CCCC[C@@H]2C1)C1(C[N@H+]2CCN3CCCC[C@H]3C2)COC1 ZINC000182340139 526139997 /nfs/dbraw/zinc/13/99/97/526139997.db2.gz LBLKPFWHHOBXHH-BGYRXZFFSA-N 2 2 362.562 1.343 10 0 FDAELP C(N1CC[N@@H+]2CCCC[C@H]2C1)C1(C[NH+]2CCN3CCCC[C@@H]3C2)COC1 ZINC000182340139 526140008 /nfs/dbraw/zinc/14/00/08/526140008.db2.gz LBLKPFWHHOBXHH-BGYRXZFFSA-N 2 2 362.562 1.343 10 0 FDAELP C(N1CC[N@H+]2CCCC[C@H]2C1)C1(C[NH+]2CCN3CCCC[C@@H]3C2)COC1 ZINC000182340139 526140016 /nfs/dbraw/zinc/14/00/16/526140016.db2.gz LBLKPFWHHOBXHH-BGYRXZFFSA-N 2 2 362.562 1.343 10 0 FDAELP C(N1CC[NH+]2CCCC[C@H]2C1)C1(C[N@@H+]2CCN3CCCC[C@@H]3C2)COC1 ZINC000182340139 526140027 /nfs/dbraw/zinc/14/00/27/526140027.db2.gz LBLKPFWHHOBXHH-BGYRXZFFSA-N 2 2 362.562 1.343 10 0 FDAELP C(N1CC[NH+]2CCCC[C@H]2C1)C1(C[N@H+]2CCN3CCCC[C@@H]3C2)COC1 ZINC000182340139 526140034 /nfs/dbraw/zinc/14/00/34/526140034.db2.gz LBLKPFWHHOBXHH-BGYRXZFFSA-N 2 2 362.562 1.343 10 0 FDAELP COc1ccc(C[NH+]2CCN(C(=O)C[NH2+][C@H](C)[C@H]3CCCO3)CC2)cc1 ZINC000183144602 535927303 /nfs/dbraw/zinc/92/73/03/535927303.db2.gz LOPIIBRVKRODQT-VQIMIIECSA-N 2 2 361.486 1.497 10 0 FDAELP Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000183397610 535972987 /nfs/dbraw/zinc/97/29/87/535972987.db2.gz FSKSVDKGWHHZED-TZIWHRDSSA-N 2 2 361.530 1.805 10 0 FDAELP CC[C@H](O)C[NH+]1CCN(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)CC1 ZINC000184812511 536185239 /nfs/dbraw/zinc/18/52/39/536185239.db2.gz KTHRVEGWNKGBAF-KRWDZBQOSA-N 2 2 361.490 1.280 10 0 FDAELP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C[C@@H]1C ZINC000185339974 536205952 /nfs/dbraw/zinc/20/59/52/536205952.db2.gz CCTJCCMTRWVZSH-DLBZAZTESA-N 2 2 371.485 1.528 10 0 FDAELP C[C@@H](O)C[N@H+]1CCN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C[C@@H]1C ZINC000185339974 536205953 /nfs/dbraw/zinc/20/59/53/536205953.db2.gz CCTJCCMTRWVZSH-DLBZAZTESA-N 2 2 371.485 1.528 10 0 FDAELP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)NC[C@@H]1C[NH+](C)CCO1)C1CC1 ZINC000187813560 536275046 /nfs/dbraw/zinc/27/50/46/536275046.db2.gz YQKNKEHQCSFNDU-MOPGFXCFSA-N 2 2 360.502 1.527 10 0 FDAELP C[NH+](Cc1ccccc1)[C@@H](CNC(=O)NC[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC000187813560 536275048 /nfs/dbraw/zinc/27/50/48/536275048.db2.gz YQKNKEHQCSFNDU-MOPGFXCFSA-N 2 2 360.502 1.527 10 0 FDAELP C[NH+](Cc1ccccc1)[C@@H](CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC000187813560 536275049 /nfs/dbraw/zinc/27/50/49/536275049.db2.gz YQKNKEHQCSFNDU-MOPGFXCFSA-N 2 2 360.502 1.527 10 0 FDAELP Cc1nc(C[NH+]2CCC(CNC(=O)[C@@H]3CC(F)(F)C[NH2+]3)CC2)cs1 ZINC000263230785 536997159 /nfs/dbraw/zinc/99/71/59/536997159.db2.gz NJOOHQHGDPAMFP-AWEZNQCLSA-N 2 2 358.458 1.777 10 0 FDAELP CC[C@@H]1CN(C(=O)[C@@H](C)[NH+]2CCc3ccccc3C2)CC[N@@H+]1C[C@H](C)O ZINC000247018008 537070024 /nfs/dbraw/zinc/07/00/24/537070024.db2.gz WOOZJDSCNSRODD-SQGPQFPESA-N 2 2 359.514 1.737 10 0 FDAELP CC[C@@H]1CN(C(=O)[C@@H](C)[NH+]2CCc3ccccc3C2)CC[N@H+]1C[C@H](C)O ZINC000247018008 537070026 /nfs/dbraw/zinc/07/00/26/537070026.db2.gz WOOZJDSCNSRODD-SQGPQFPESA-N 2 2 359.514 1.737 10 0 FDAELP CC[C@@H]1CN(C(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)CC[NH+]1C[C@H](C)O ZINC000247018008 537070028 /nfs/dbraw/zinc/07/00/28/537070028.db2.gz WOOZJDSCNSRODD-SQGPQFPESA-N 2 2 359.514 1.737 10 0 FDAELP CC[C@@H]1CN(C(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)CC[NH+]1C[C@H](C)O ZINC000247018008 537070031 /nfs/dbraw/zinc/07/00/31/537070031.db2.gz WOOZJDSCNSRODD-SQGPQFPESA-N 2 2 359.514 1.737 10 0 FDAELP CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@H](C)[NH+]2CCOCC2)[C@H](C)C1 ZINC000247098380 537081343 /nfs/dbraw/zinc/08/13/43/537081343.db2.gz FCBVZOWTYKIQDI-SQNIBIBYSA-N 2 2 370.538 1.143 10 0 FDAELP CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@H](C)[NH+]2CCOCC2)[C@H](C)C1 ZINC000247098380 537081347 /nfs/dbraw/zinc/08/13/47/537081347.db2.gz FCBVZOWTYKIQDI-SQNIBIBYSA-N 2 2 370.538 1.143 10 0 FDAELP O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000247154742 537088513 /nfs/dbraw/zinc/08/85/13/537088513.db2.gz QESBVRXJTXFIRG-WOJBJXKFSA-N 2 2 372.513 1.767 10 0 FDAELP CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+][C@H]2CCC[N@H+](CC)C2)CC1 ZINC000248384754 537175201 /nfs/dbraw/zinc/17/52/01/537175201.db2.gz FYFJCPIBWDHHES-WBVHZDCISA-N 2 2 353.507 1.641 10 0 FDAELP CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+][C@H]2CCC[N@@H+](CC)C2)CC1 ZINC000248384754 537175203 /nfs/dbraw/zinc/17/52/03/537175203.db2.gz FYFJCPIBWDHHES-WBVHZDCISA-N 2 2 353.507 1.641 10 0 FDAELP CC[C@H]1CN(C(=O)NCc2[nH+]ccn2CC(C)C)CC[N@@H+]1C[C@H](C)O ZINC000248492570 537187895 /nfs/dbraw/zinc/18/78/95/537187895.db2.gz ORHZLIZIHOYGHM-HOTGVXAUSA-N 2 2 351.495 1.526 10 0 FDAELP CC[C@H]1CN(C(=O)NCc2[nH+]ccn2CC(C)C)CC[N@H+]1C[C@H](C)O ZINC000248492570 537187898 /nfs/dbraw/zinc/18/78/98/537187898.db2.gz ORHZLIZIHOYGHM-HOTGVXAUSA-N 2 2 351.495 1.526 10 0 FDAELP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248640250 537199671 /nfs/dbraw/zinc/19/96/71/537199671.db2.gz BQHGXLHFMJOBLP-RDJZCZTQSA-N 2 2 361.490 1.458 10 0 FDAELP CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248640250 537199672 /nfs/dbraw/zinc/19/96/72/537199672.db2.gz BQHGXLHFMJOBLP-RDJZCZTQSA-N 2 2 361.490 1.458 10 0 FDAELP CC(C)NC(=O)NC(=O)[C@H](C)[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248640250 537199674 /nfs/dbraw/zinc/19/96/74/537199674.db2.gz BQHGXLHFMJOBLP-RDJZCZTQSA-N 2 2 361.490 1.458 10 0 FDAELP CC[N@H+](CCCNC(=O)N1CC[NH+](C[C@H](C)O)[C@H](C)C1)c1ccccc1 ZINC000248666391 537203037 /nfs/dbraw/zinc/20/30/37/537203037.db2.gz WQZQKTQEGKIQKV-MSOLQXFVSA-N 2 2 362.518 2.000 10 0 FDAELP CC[N@@H+](CCCNC(=O)N1CC[NH+](C[C@H](C)O)[C@H](C)C1)c1ccccc1 ZINC000248666391 537203038 /nfs/dbraw/zinc/20/30/38/537203038.db2.gz WQZQKTQEGKIQKV-MSOLQXFVSA-N 2 2 362.518 2.000 10 0 FDAELP CC[NH+](CCCNC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1)c1ccccc1 ZINC000248666391 537203039 /nfs/dbraw/zinc/20/30/39/537203039.db2.gz WQZQKTQEGKIQKV-MSOLQXFVSA-N 2 2 362.518 2.000 10 0 FDAELP CC[NH+](CCCNC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1)c1ccccc1 ZINC000248666391 537203040 /nfs/dbraw/zinc/20/30/40/537203040.db2.gz WQZQKTQEGKIQKV-MSOLQXFVSA-N 2 2 362.518 2.000 10 0 FDAELP Cn1cc([C@@H]2CCC[NH+]2CC(O)C[N@H+]2CCC[C@H]2c2cnn(C)c2)cn1 ZINC000248744026 537210593 /nfs/dbraw/zinc/21/05/93/537210593.db2.gz RDWKNGOWRPZPGY-OALUTQOASA-N 2 2 358.490 1.489 10 0 FDAELP Cn1cc([C@@H]2CCC[NH+]2CC(O)C[N@@H+]2CCC[C@H]2c2cnn(C)c2)cn1 ZINC000248744026 537210594 /nfs/dbraw/zinc/21/05/94/537210594.db2.gz RDWKNGOWRPZPGY-OALUTQOASA-N 2 2 358.490 1.489 10 0 FDAELP CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000249752827 537242532 /nfs/dbraw/zinc/24/25/32/537242532.db2.gz FIYAEVMMEQCFNE-RBUKOAKNSA-N 2 2 360.502 1.843 10 0 FDAELP CC[N@H+]1CCC[C@H](NC(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000249752827 537242533 /nfs/dbraw/zinc/24/25/33/537242533.db2.gz FIYAEVMMEQCFNE-RBUKOAKNSA-N 2 2 360.502 1.843 10 0 FDAELP CCS(=O)(=O)NCC[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195258331 537381081 /nfs/dbraw/zinc/38/10/81/537381081.db2.gz RGRWXGZPHMBHPL-AWEZNQCLSA-N 2 2 360.549 1.145 10 0 FDAELP CCS(=O)(=O)NCC[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195258331 537381086 /nfs/dbraw/zinc/38/10/86/537381086.db2.gz RGRWXGZPHMBHPL-AWEZNQCLSA-N 2 2 360.549 1.145 10 0 FDAELP CCS(=O)(=O)NCC[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195258331 537381091 /nfs/dbraw/zinc/38/10/91/537381091.db2.gz RGRWXGZPHMBHPL-AWEZNQCLSA-N 2 2 360.549 1.145 10 0 FDAELP CCS(=O)(=O)NCC[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000195258331 537381099 /nfs/dbraw/zinc/38/10/99/537381099.db2.gz RGRWXGZPHMBHPL-AWEZNQCLSA-N 2 2 360.549 1.145 10 0 FDAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@H](O)COC2CCOCC2)C1 ZINC000195295918 537392092 /nfs/dbraw/zinc/39/20/92/537392092.db2.gz ZLRJYPQNTIXBTD-MOPGFXCFSA-N 2 2 363.502 1.392 10 0 FDAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@H](O)COC2CCOCC2)C1 ZINC000195295918 537392100 /nfs/dbraw/zinc/39/21/00/537392100.db2.gz ZLRJYPQNTIXBTD-MOPGFXCFSA-N 2 2 363.502 1.392 10 0 FDAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](C[C@H](O)COC2CCOCC2)C1 ZINC000195295918 537392105 /nfs/dbraw/zinc/39/21/05/537392105.db2.gz ZLRJYPQNTIXBTD-MOPGFXCFSA-N 2 2 363.502 1.392 10 0 FDAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](C[C@H](O)COC2CCOCC2)C1 ZINC000195295918 537392112 /nfs/dbraw/zinc/39/21/12/537392112.db2.gz ZLRJYPQNTIXBTD-MOPGFXCFSA-N 2 2 363.502 1.392 10 0 FDAELP Cn1cc[nH+]c1CN(C(=O)COC[C@@H]1CCCO1)[C@H]1CC12CC[NH2+]CC2 ZINC000582885091 551276860 /nfs/dbraw/zinc/27/68/60/551276860.db2.gz NTYFSJBNWLLWTK-HOTGVXAUSA-N 2 2 362.474 1.086 10 0 FDAELP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000245437919 178358432 /nfs/dbraw/zinc/35/84/32/178358432.db2.gz RURAZVIMPKVGEJ-ROUUACIJSA-N 2 2 357.502 1.289 10 0 FDAELP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000245437919 178358436 /nfs/dbraw/zinc/35/84/36/178358436.db2.gz RURAZVIMPKVGEJ-ROUUACIJSA-N 2 2 357.502 1.289 10 0 FDAELP O=C(C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)NC(=O)NCc1ccco1 ZINC000171646517 258267011 /nfs/dbraw/zinc/26/70/11/258267011.db2.gz JQSMRSHCBXBMPH-AWEZNQCLSA-N 2 2 357.414 1.434 10 0 FDAELP O=C(C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)NC(=O)NCc1ccco1 ZINC000171646517 258267012 /nfs/dbraw/zinc/26/70/12/258267012.db2.gz JQSMRSHCBXBMPH-AWEZNQCLSA-N 2 2 357.414 1.434 10 0 FDAELP COCC[N@H+](C)CCCC1CCN(C(=O)NC[C@@H]2C[NH+](C)CCO2)CC1 ZINC000127177920 173067453 /nfs/dbraw/zinc/06/74/53/173067453.db2.gz PWOUWZJXRINRPO-GOSISDBHSA-N 2 2 370.538 1.097 10 0 FDAELP COCC[N@@H+](C)CCCC1CCN(C(=O)NC[C@@H]2C[NH+](C)CCO2)CC1 ZINC000127177920 173067455 /nfs/dbraw/zinc/06/74/55/173067455.db2.gz PWOUWZJXRINRPO-GOSISDBHSA-N 2 2 370.538 1.097 10 0 FDAELP COCC[NH+](C)CCCC1CCN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000127177920 173067458 /nfs/dbraw/zinc/06/74/58/173067458.db2.gz PWOUWZJXRINRPO-GOSISDBHSA-N 2 2 370.538 1.097 10 0 FDAELP COCC[NH+](C)CCCC1CCN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000127177920 173067461 /nfs/dbraw/zinc/06/74/61/173067461.db2.gz PWOUWZJXRINRPO-GOSISDBHSA-N 2 2 370.538 1.097 10 0 FDAELP CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)C1 ZINC000131299311 173197244 /nfs/dbraw/zinc/19/72/44/173197244.db2.gz IPFJVGLVVIOTNC-HZPDHXFCSA-N 2 2 352.504 1.487 10 0 FDAELP CS(=O)(=O)N1CCC[C@H](C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)C1 ZINC000131299311 173197245 /nfs/dbraw/zinc/19/72/45/173197245.db2.gz IPFJVGLVVIOTNC-HZPDHXFCSA-N 2 2 352.504 1.487 10 0 FDAELP C[C@@H]1CN(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)C[C@H]1[NH+]1CCOCC1 ZINC000175659687 174018369 /nfs/dbraw/zinc/01/83/69/174018369.db2.gz YKSHIHHJSKOMTH-SJLPKXTDSA-N 2 2 373.501 1.544 10 0 FDAELP Cc1cccc2[nH+]c(CNC(=O)N3C[C@H](C)[C@H]([NH+]4CCOCC4)C3)cn21 ZINC000175773098 174027073 /nfs/dbraw/zinc/02/70/73/174027073.db2.gz PRKMVAFEUPLNBX-WMLDXEAASA-N 2 2 357.458 1.505 10 0 FDAELP O=C([C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177812942 174158394 /nfs/dbraw/zinc/15/83/94/174158394.db2.gz NJNWIBMNJAWMKA-RTBURBONSA-N 2 2 354.454 1.775 10 0 FDAELP O=C([C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177812942 174158396 /nfs/dbraw/zinc/15/83/96/174158396.db2.gz NJNWIBMNJAWMKA-RTBURBONSA-N 2 2 354.454 1.775 10 0 FDAELP O=C(NC1CC[NH+](Cc2ccncc2)CC1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173779948 258310487 /nfs/dbraw/zinc/31/04/87/258310487.db2.gz NSMWWBCWOPSZJX-LJQANCHMSA-N 2 2 373.501 1.162 10 0 FDAELP CC(C)[C@H](CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)[NH+]1CCC(C)CC1 ZINC000173776792 258310730 /nfs/dbraw/zinc/31/07/30/258310730.db2.gz FHYPGSHITUDHEY-MOPGFXCFSA-N 2 2 366.550 1.859 10 0 FDAELP CCc1ccc([C@@H](CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)[NH+](C)C)cc1 ZINC000173785808 258311251 /nfs/dbraw/zinc/31/12/51/258311251.db2.gz VZKJHWJCOUHTLV-WOJBJXKFSA-N 2 2 374.529 1.968 10 0 FDAELP CCC(CC)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1)[NH+]1CCOCC1 ZINC000173868717 258313091 /nfs/dbraw/zinc/31/30/91/258313091.db2.gz UBEPJJVXJVLFOV-BHIYHBOVSA-N 2 2 367.534 1.303 10 0 FDAELP C[NH+](C)[C@@H](CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)c1ccc(F)cc1 ZINC000173892052 258313433 /nfs/dbraw/zinc/31/34/33/258313433.db2.gz OSCUYTFKFIDMMH-MSOLQXFVSA-N 2 2 364.465 1.545 10 0 FDAELP Cc1[nH+]ccn1-c1cncc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1 ZINC000301988785 259037055 /nfs/dbraw/zinc/03/70/55/259037055.db2.gz WNDGPKHIZKGGEV-UHFFFAOYSA-N 2 2 352.446 1.417 10 0 FDAELP Cc1[nH+]ccn1-c1cncc(N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1 ZINC000301988785 259037056 /nfs/dbraw/zinc/03/70/56/259037056.db2.gz WNDGPKHIZKGGEV-UHFFFAOYSA-N 2 2 352.446 1.417 10 0 FDAELP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2S(=O)(=O)N2CCOCC2)CC[N@@H+]1C ZINC000329183383 259082632 /nfs/dbraw/zinc/08/26/32/259082632.db2.gz PHGWHNLHSGORGX-WBVHZDCISA-N 2 2 367.515 1.280 10 0 FDAELP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2S(=O)(=O)N2CCOCC2)CC[N@H+]1C ZINC000329183383 259082633 /nfs/dbraw/zinc/08/26/33/259082633.db2.gz PHGWHNLHSGORGX-WBVHZDCISA-N 2 2 367.515 1.280 10 0 FDAELP C[C@H]1CN(C(=O)Cc2ccc3n[nH]cc3c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000330007278 259121891 /nfs/dbraw/zinc/12/18/91/259121891.db2.gz DLAQAKZYMJVDRQ-HNNXBMFYSA-N 2 2 355.486 1.732 10 0 FDAELP C[C@H](CC[N@@H+]1CCC[C@H](c2nnc[nH]2)C1)[NH+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000330303223 259138337 /nfs/dbraw/zinc/13/83/37/259138337.db2.gz PABSJCIBCKXEIH-PMPSAXMXSA-N 2 2 358.494 1.760 10 0 FDAELP C[C@H](CC[N@H+]1CCC[C@H](c2nnc[nH]2)C1)[NH+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000330303223 259138338 /nfs/dbraw/zinc/13/83/38/259138338.db2.gz PABSJCIBCKXEIH-PMPSAXMXSA-N 2 2 358.494 1.760 10 0 FDAELP C[C@H](CC[NH+]1CCC[C@H](c2nnc[nH]2)C1)[N@@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000330303223 259138339 /nfs/dbraw/zinc/13/83/39/259138339.db2.gz PABSJCIBCKXEIH-PMPSAXMXSA-N 2 2 358.494 1.760 10 0 FDAELP C[C@H](CC[NH+]1CCC[C@H](c2nnc[nH]2)C1)[N@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000330303223 259138340 /nfs/dbraw/zinc/13/83/40/259138340.db2.gz PABSJCIBCKXEIH-PMPSAXMXSA-N 2 2 358.494 1.760 10 0 FDAELP Cc1[nH+]c2ccccc2n1CCNC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000061954979 522503742 /nfs/dbraw/zinc/50/37/42/522503742.db2.gz IKIMXEWQKMHUJK-INIZCTEOSA-N 2 2 359.474 1.491 10 0 FDAELP CC(=O)N[C@H]1CCC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000076709604 523174712 /nfs/dbraw/zinc/17/47/12/523174712.db2.gz VCHAUUGIQYLPTR-FQEVSTJZSA-N 2 2 372.513 1.499 10 0 FDAELP CC(=O)N[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000076709604 523174723 /nfs/dbraw/zinc/17/47/23/523174723.db2.gz VCHAUUGIQYLPTR-FQEVSTJZSA-N 2 2 372.513 1.499 10 0 FDAELP CCC(CC)[C@H](CNC(=O)NC[C@@H](C)[NH+]1CCOCC1)[NH+]1CCCC1 ZINC000079125169 523707689 /nfs/dbraw/zinc/70/76/89/523707689.db2.gz XKRPSWYWQYQYMD-AEFFLSMTSA-N 2 2 354.539 1.907 10 0 FDAELP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000172080591 524111455 /nfs/dbraw/zinc/11/14/55/524111455.db2.gz LDBVDMHHHDULLD-FXAWDEMLSA-N 2 2 372.513 1.626 10 0 FDAELP C[C@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000172080591 524111465 /nfs/dbraw/zinc/11/14/65/524111465.db2.gz LDBVDMHHHDULLD-FXAWDEMLSA-N 2 2 372.513 1.626 10 0 FDAELP Cc1ccc([C@@H](CNC(=O)N2CC[C@H]([NH+](C)C)C2)[NH+]2CCOCC2)s1 ZINC000175011567 524833410 /nfs/dbraw/zinc/83/34/10/524833410.db2.gz VSCIJFZNKMKKMP-JKSUJKDBSA-N 2 2 366.531 1.775 10 0 FDAELP CC[C@@H]1CN(C(=O)NCc2[nH+]ccn2CC(C)C)CC[N@@H+]1CCOC ZINC000175471953 524969275 /nfs/dbraw/zinc/96/92/75/524969275.db2.gz QEKQIUXHNPNYOY-MRXNPFEDSA-N 2 2 351.495 1.791 10 0 FDAELP CC[C@@H]1CN(C(=O)NCc2[nH+]ccn2CC(C)C)CC[N@H+]1CCOC ZINC000175471953 524969285 /nfs/dbraw/zinc/96/92/85/524969285.db2.gz QEKQIUXHNPNYOY-MRXNPFEDSA-N 2 2 351.495 1.791 10 0 FDAELP CC(C)c1ccc(C[NH+]2CCN(C(=O)NC[C@@H]3C[N@H+](C)CCO3)CC2)cc1 ZINC000104799726 525438381 /nfs/dbraw/zinc/43/83/81/525438381.db2.gz ZJZYWKGNVGZINY-HXUWFJFHSA-N 2 2 374.529 1.968 10 0 FDAELP CC(C)c1ccc(C[NH+]2CCN(C(=O)NC[C@@H]3C[N@@H+](C)CCO3)CC2)cc1 ZINC000104799726 525438391 /nfs/dbraw/zinc/43/83/91/525438391.db2.gz ZJZYWKGNVGZINY-HXUWFJFHSA-N 2 2 374.529 1.968 10 0 FDAELP CCC(CC)NC(=O)[C@@H](C)[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000106121724 525613604 /nfs/dbraw/zinc/61/36/04/525613604.db2.gz QOVFQLIGNYMKNA-IEBWSBKVSA-N 2 2 368.566 1.407 10 0 FDAELP CCC(CC)NC(=O)[C@@H](C)[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000106121724 525613608 /nfs/dbraw/zinc/61/36/08/525613608.db2.gz QOVFQLIGNYMKNA-IEBWSBKVSA-N 2 2 368.566 1.407 10 0 FDAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](CC(=O)NCc3ccccc3)CC2)C1 ZINC000106123480 525615396 /nfs/dbraw/zinc/61/53/96/525615396.db2.gz LHSSXKPYKWEMBR-FQEVSTJZSA-N 2 2 374.529 1.030 10 0 FDAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](CC(=O)NCc3ccccc3)CC2)C1 ZINC000106123480 525615400 /nfs/dbraw/zinc/61/54/00/525615400.db2.gz LHSSXKPYKWEMBR-FQEVSTJZSA-N 2 2 374.529 1.030 10 0 FDAELP CN(CC(C)(C)C[NH+]1CCOCC1)c1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000130210754 525732178 /nfs/dbraw/zinc/73/21/78/525732178.db2.gz AEESYAHOLBBBTC-MRXNPFEDSA-N 2 2 363.506 1.232 10 0 FDAELP CC(C)Cn1cc[nH+]c1CNC(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000181834302 525948061 /nfs/dbraw/zinc/94/80/61/525948061.db2.gz NZSZMSOKUSVHHS-MRXNPFEDSA-N 2 2 365.522 1.773 10 0 FDAELP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000171527049 526025455 /nfs/dbraw/zinc/02/54/55/526025455.db2.gz MWUJMAYZRLLCNG-IRXDYDNUSA-N 2 2 369.473 1.047 10 0 FDAELP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000171527049 526025461 /nfs/dbraw/zinc/02/54/61/526025461.db2.gz MWUJMAYZRLLCNG-IRXDYDNUSA-N 2 2 369.473 1.047 10 0 FDAELP Cc1[nH+]ccn1CCCC[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000120778380 526180161 /nfs/dbraw/zinc/18/01/61/526180161.db2.gz LMPSXFUHQRFNPW-HXUWFJFHSA-N 3 2 363.550 1.699 10 0 FDAELP Cc1[nH+]ccn1CCCC[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000120778380 526180166 /nfs/dbraw/zinc/18/01/66/526180166.db2.gz LMPSXFUHQRFNPW-HXUWFJFHSA-N 3 2 363.550 1.699 10 0 FDAELP C[NH+]1CCN([C@@H](C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c2ccccc2)CC1 ZINC000246514018 536970719 /nfs/dbraw/zinc/97/07/19/536970719.db2.gz UWLDGUGDMMFWIC-VQTJNVASSA-N 2 2 356.514 1.672 10 0 FDAELP C[NH+]1CCN([C@@H](C(=O)N2CC[N@H+]3CCCC[C@H]3C2)c2ccccc2)CC1 ZINC000246514018 536970721 /nfs/dbraw/zinc/97/07/21/536970721.db2.gz UWLDGUGDMMFWIC-VQTJNVASSA-N 2 2 356.514 1.672 10 0 FDAELP CCC(CC)[C@@H](C(=O)N1CC[N@H+](CCOC)[C@@H](C)C1)[NH+]1CCOCC1 ZINC000246732029 537014679 /nfs/dbraw/zinc/01/46/79/537014679.db2.gz MJACOMMBSFRGDS-WMZOPIPTSA-N 2 2 355.523 1.303 10 0 FDAELP CCC(CC)[C@@H](C(=O)N1CC[N@@H+](CCOC)[C@@H](C)C1)[NH+]1CCOCC1 ZINC000246732029 537014680 /nfs/dbraw/zinc/01/46/80/537014680.db2.gz MJACOMMBSFRGDS-WMZOPIPTSA-N 2 2 355.523 1.303 10 0 FDAELP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000263310264 537015019 /nfs/dbraw/zinc/01/50/19/537015019.db2.gz YMERNCINGSKOSJ-RISCZKNCSA-N 2 2 351.248 1.509 10 0 FDAELP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000263310265 537015283 /nfs/dbraw/zinc/01/52/83/537015283.db2.gz YMERNCINGSKOSJ-SMDDNHRTSA-N 2 2 351.248 1.509 10 0 FDAELP O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000246926063 537053273 /nfs/dbraw/zinc/05/32/73/537053273.db2.gz JEIDUKUDNMCPAI-UXHICEINSA-N 2 2 373.497 1.211 10 0 FDAELP O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000246926063 537053277 /nfs/dbraw/zinc/05/32/77/537053277.db2.gz JEIDUKUDNMCPAI-UXHICEINSA-N 2 2 373.497 1.211 10 0 FDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000246975302 537061769 /nfs/dbraw/zinc/06/17/69/537061769.db2.gz JJZUZTLFXOCBLP-FUHWJXTLSA-N 2 2 363.483 1.793 10 0 FDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000246975302 537061772 /nfs/dbraw/zinc/06/17/72/537061772.db2.gz JJZUZTLFXOCBLP-FUHWJXTLSA-N 2 2 363.483 1.793 10 0 FDAELP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NC[C@@H]2C[NH+](C)CCO2)C1 ZINC000247081276 537079298 /nfs/dbraw/zinc/07/92/98/537079298.db2.gz VTUSHKSLFHLQHB-KZNAEPCWSA-N 2 2 352.523 1.613 10 0 FDAELP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NC[C@@H]2C[NH+](C)CCO2)C1 ZINC000247081276 537079299 /nfs/dbraw/zinc/07/92/99/537079299.db2.gz VTUSHKSLFHLQHB-KZNAEPCWSA-N 2 2 352.523 1.613 10 0 FDAELP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)C1 ZINC000247081276 537079303 /nfs/dbraw/zinc/07/93/03/537079303.db2.gz VTUSHKSLFHLQHB-KZNAEPCWSA-N 2 2 352.523 1.613 10 0 FDAELP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000247081276 537079304 /nfs/dbraw/zinc/07/93/04/537079304.db2.gz VTUSHKSLFHLQHB-KZNAEPCWSA-N 2 2 352.523 1.613 10 0 FDAELP C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C(=O)N1CCC(C(N)=O)CC1 ZINC000189888942 537110817 /nfs/dbraw/zinc/11/08/17/537110817.db2.gz PZNHASWSNXZTML-LSDHHAIUSA-N 2 2 369.469 1.635 10 0 FDAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)N(C)CC(=O)NC2CC2)C1 ZINC000247560080 537134379 /nfs/dbraw/zinc/13/43/79/537134379.db2.gz FWSIYEKVMCCABI-ZBFHGGJFSA-N 2 2 361.490 1.208 10 0 FDAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)N(C)CC(=O)NC2CC2)C1 ZINC000247560080 537134381 /nfs/dbraw/zinc/13/43/81/537134381.db2.gz FWSIYEKVMCCABI-ZBFHGGJFSA-N 2 2 361.490 1.208 10 0 FDAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+]([C@H](C)C(=O)Nc3ccccc3)CC2)C1 ZINC000247585213 537138078 /nfs/dbraw/zinc/13/80/78/537138078.db2.gz IYYNSGQVCTYUBO-UYAOXDASSA-N 2 2 374.529 1.740 10 0 FDAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+]([C@H](C)C(=O)Nc3ccccc3)CC2)C1 ZINC000247585213 537138080 /nfs/dbraw/zinc/13/80/80/537138080.db2.gz IYYNSGQVCTYUBO-UYAOXDASSA-N 2 2 374.529 1.740 10 0 FDAELP CC[C@H]1CN(C(=O)NCc2cn3c(cccc3C)[nH+]2)CC[N@@H+]1C[C@H](C)O ZINC000248486552 537187634 /nfs/dbraw/zinc/18/76/34/537187634.db2.gz LIKUSBVFQAFDRD-RDJZCZTQSA-N 2 2 359.474 1.629 10 0 FDAELP CC[C@H]1CN(C(=O)NCc2cn3c(cccc3C)[nH+]2)CC[N@H+]1C[C@H](C)O ZINC000248486552 537187635 /nfs/dbraw/zinc/18/76/35/537187635.db2.gz LIKUSBVFQAFDRD-RDJZCZTQSA-N 2 2 359.474 1.629 10 0 FDAELP CCOCCNC(=O)C[N@@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195255230 537381159 /nfs/dbraw/zinc/38/11/59/537381159.db2.gz KVQVJTOCFKWODS-OAHLLOKOSA-N 2 2 354.520 1.358 10 0 FDAELP CCOCCNC(=O)C[N@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195255230 537381166 /nfs/dbraw/zinc/38/11/66/537381166.db2.gz KVQVJTOCFKWODS-OAHLLOKOSA-N 2 2 354.520 1.358 10 0 FDAELP CCOCCNC(=O)C[NH+]1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195255230 537381177 /nfs/dbraw/zinc/38/11/77/537381177.db2.gz KVQVJTOCFKWODS-OAHLLOKOSA-N 2 2 354.520 1.358 10 0 FDAELP CCOCCNC(=O)C[NH+]1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000195255230 537381180 /nfs/dbraw/zinc/38/11/80/537381180.db2.gz KVQVJTOCFKWODS-OAHLLOKOSA-N 2 2 354.520 1.358 10 0 FDAELP C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@H]2CCC[NH+]2CC2CCCCC2)C1 ZINC000246010538 672480250 /nfs/dbraw/zinc/48/02/50/672480250.db2.gz HTWVSOPXKSTWIP-MSOLQXFVSA-N 2 2 352.523 1.661 10 0 FDAELP C[N@H+]1CCO[C@@H](CNC(=O)NC[C@H]2CCC[NH+]2CC2CCCCC2)C1 ZINC000246010538 672480252 /nfs/dbraw/zinc/48/02/52/672480252.db2.gz HTWVSOPXKSTWIP-MSOLQXFVSA-N 2 2 352.523 1.661 10 0 FDAELP C[NH+]1CCO[C@@H](CNC(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)C1 ZINC000246010538 672480257 /nfs/dbraw/zinc/48/02/57/672480257.db2.gz HTWVSOPXKSTWIP-MSOLQXFVSA-N 2 2 352.523 1.661 10 0 FDAELP C[NH+]1CCO[C@@H](CNC(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)C1 ZINC000246010538 672480260 /nfs/dbraw/zinc/48/02/60/672480260.db2.gz HTWVSOPXKSTWIP-MSOLQXFVSA-N 2 2 352.523 1.661 10 0 FDAELP CC(C)[NH+]1CCN(CCCN2CC[NH+](C[C@@H](O)c3ccccc3)CC2)CC1 ZINC000191482618 178058098 /nfs/dbraw/zinc/05/80/98/178058098.db2.gz WNTRDWDOOWRMDN-JOCHJYFZSA-N 2 2 374.573 1.754 10 0 FDAELP CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195266987 178251799 /nfs/dbraw/zinc/25/17/99/178251799.db2.gz CJKIVYZGDQVRJA-CYBMUJFWSA-N 2 2 353.492 1.051 10 0 FDAELP CCNC(=O)NC(=O)C[N@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195266987 178251801 /nfs/dbraw/zinc/25/18/01/178251801.db2.gz CJKIVYZGDQVRJA-CYBMUJFWSA-N 2 2 353.492 1.051 10 0 FDAELP CCNC(=O)NC(=O)C[NH+]1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195266987 178251804 /nfs/dbraw/zinc/25/18/04/178251804.db2.gz CJKIVYZGDQVRJA-CYBMUJFWSA-N 2 2 353.492 1.051 10 0 FDAELP CCNC(=O)NC(=O)C[NH+]1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000195266987 178251806 /nfs/dbraw/zinc/25/18/06/178251806.db2.gz CJKIVYZGDQVRJA-CYBMUJFWSA-N 2 2 353.492 1.051 10 0 FDAELP O=C(C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)NC(=O)NCC(F)(F)F ZINC000171644541 258266686 /nfs/dbraw/zinc/26/66/86/258266686.db2.gz MWGAIPGJFMICGC-LLVKDONJSA-N 2 2 359.352 1.204 10 0 FDAELP O=C(C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)NC(=O)NCC(F)(F)F ZINC000171644541 258266687 /nfs/dbraw/zinc/26/66/87/258266687.db2.gz MWGAIPGJFMICGC-LLVKDONJSA-N 2 2 359.352 1.204 10 0 FDAELP CCOC(=O)[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171645420 258266732 /nfs/dbraw/zinc/26/67/32/258266732.db2.gz NTMOYJOBYFGYKN-IAGOWNOFSA-N 2 2 374.485 1.760 10 0 FDAELP CCOC(=O)[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171645420 258266733 /nfs/dbraw/zinc/26/67/33/258266733.db2.gz NTMOYJOBYFGYKN-IAGOWNOFSA-N 2 2 374.485 1.760 10 0 FDAELP C[NH+]1CCC(CNC(=O)N[C@@H]2CCCC[C@@H]2CO)([NH+]2CCCCC2)CC1 ZINC000081502798 172190619 /nfs/dbraw/zinc/19/06/19/172190619.db2.gz DGLMGBPZJABVEA-QZTJIDSGSA-N 2 2 366.550 1.787 10 0 FDAELP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H]1C[N@H+](C)CCO1)c1ccsc1 ZINC000104782995 172385144 /nfs/dbraw/zinc/38/51/44/172385144.db2.gz QXZZYXGMNQRRRA-CVEARBPZSA-N 2 2 354.520 1.761 10 0 FDAELP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1)c1ccsc1 ZINC000104782995 172385146 /nfs/dbraw/zinc/38/51/46/172385146.db2.gz QXZZYXGMNQRRRA-CVEARBPZSA-N 2 2 354.520 1.761 10 0 FDAELP C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC[NH+](CCCc3ccccc3)CC2)C1 ZINC000104798189 172386170 /nfs/dbraw/zinc/38/61/70/172386170.db2.gz PRVNTZIBBIPNTK-FQEVSTJZSA-N 2 2 374.529 1.667 10 0 FDAELP C[N@H+]1CCO[C@@H](CNC(=O)N2CCC[NH+](CCCc3ccccc3)CC2)C1 ZINC000104798189 172386171 /nfs/dbraw/zinc/38/61/71/172386171.db2.gz PRVNTZIBBIPNTK-FQEVSTJZSA-N 2 2 374.529 1.667 10 0 FDAELP C[NH+]1CCO[C@@H](CNC(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)C1 ZINC000104798189 172386173 /nfs/dbraw/zinc/38/61/73/172386173.db2.gz PRVNTZIBBIPNTK-FQEVSTJZSA-N 2 2 374.529 1.667 10 0 FDAELP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000105162250 172396333 /nfs/dbraw/zinc/39/63/33/172396333.db2.gz DLYMVNJYMFCOTO-FQEVSTJZSA-N 2 2 372.513 1.899 10 0 FDAELP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000105162250 172396337 /nfs/dbraw/zinc/39/63/37/172396337.db2.gz DLYMVNJYMFCOTO-FQEVSTJZSA-N 2 2 372.513 1.899 10 0 FDAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000175470344 174008426 /nfs/dbraw/zinc/00/84/26/174008426.db2.gz BQUAPGYGIPSAKP-UHFFFAOYSA-N 2 2 373.505 1.690 10 0 FDAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000175470344 174008429 /nfs/dbraw/zinc/00/84/29/174008429.db2.gz BQUAPGYGIPSAKP-UHFFFAOYSA-N 2 2 373.505 1.690 10 0 FDAELP C[C@@H]1CN(C(=O)NCc2cccnc2-n2cc[nH+]c2)C[C@H]1[NH+]1CCOCC1 ZINC000175664837 174017867 /nfs/dbraw/zinc/01/78/67/174017867.db2.gz HINMPUKEEPIPOM-NVXWUHKLSA-N 2 2 370.457 1.129 10 0 FDAELP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)c2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000176868344 174091420 /nfs/dbraw/zinc/09/14/20/174091420.db2.gz ANCFZXQWQZVPCP-HNNXBMFYSA-N 2 2 357.458 1.432 10 0 FDAELP CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)C(=O)NCCn1cc[nH+]c1 ZINC000176925240 174094801 /nfs/dbraw/zinc/09/48/01/174094801.db2.gz SRBXVMNLRFSKCP-HNNXBMFYSA-N 2 2 363.487 1.660 10 0 FDAELP C[C@H](CNC(=O)NC1CC[NH+](C2CCCCC2)CC1)[NH+]1CCOCC1 ZINC000177359259 174123486 /nfs/dbraw/zinc/12/34/86/174123486.db2.gz PGYUYLOIVRPZED-MRXNPFEDSA-N 2 2 352.523 1.803 10 0 FDAELP CC(=O)N1CCN(C(=O)[C@@H](C)[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000180673805 258372702 /nfs/dbraw/zinc/37/27/02/258372702.db2.gz ZHXHLJKJRZVMMC-HZPDHXFCSA-N 2 2 369.469 1.602 10 0 FDAELP O=C(NC1CC[NH+](Cc2ccccc2)CC1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173764964 258310160 /nfs/dbraw/zinc/31/01/60/258310160.db2.gz LPSKOMFAMXTGJZ-HXUWFJFHSA-N 2 2 372.513 1.767 10 0 FDAELP CC1CC[NH+](CCCCNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)CC1 ZINC000173785314 258311207 /nfs/dbraw/zinc/31/12/07/258311207.db2.gz DMMSUNKPRNATBL-SFHVURJKSA-N 2 2 352.523 1.615 10 0 FDAELP C[NH+](C)Cc1cc(CNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)ccc1F ZINC000173888203 258313599 /nfs/dbraw/zinc/31/35/99/258313599.db2.gz SOFQMBFHOJDYOY-KRWDZBQOSA-N 2 2 364.465 1.503 10 0 FDAELP C[NH+](C)[C@H](CNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)c1ccc(F)cc1 ZINC000173892038 258313625 /nfs/dbraw/zinc/31/36/25/258313625.db2.gz OSCUYTFKFIDMMH-ZWKOTPCHSA-N 2 2 364.465 1.545 10 0 FDAELP C[NH+](C)[C@@H]1CCN(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1 ZINC000173916211 258314894 /nfs/dbraw/zinc/31/48/94/258314894.db2.gz KDOQLCHLORHMBU-QGZVFWFLSA-N 3 2 351.539 1.282 10 0 FDAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)C(=O)N2CCC(C)CC2)nc[nH+]1 ZINC000174286047 258322803 /nfs/dbraw/zinc/32/28/03/258322803.db2.gz SDUOGRIBJYVKLP-CVEARBPZSA-N 2 2 360.506 1.724 10 0 FDAELP CNC(=O)[C@@H](NC(=O)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C)c1ccccc1 ZINC000178747547 258334472 /nfs/dbraw/zinc/33/44/72/258334472.db2.gz KCNAZRRMLNTWIB-MJGOQNOKSA-N 2 2 369.469 1.259 10 0 FDAELP CNC(=O)[C@@H](NC(=O)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C)c1ccccc1 ZINC000178747547 258334473 /nfs/dbraw/zinc/33/44/73/258334473.db2.gz KCNAZRRMLNTWIB-MJGOQNOKSA-N 2 2 369.469 1.259 10 0 FDAELP CC[NH+]1CCN(c2cccc(NC(=O)NC[C@@H]3C[N@H+](C)CCO3)c2)CC1 ZINC000184906122 258384139 /nfs/dbraw/zinc/38/41/39/258384139.db2.gz AIUUKVLQVFZFEM-GOSISDBHSA-N 2 2 361.490 1.281 10 0 FDAELP CC[NH+]1CCN(c2cccc(NC(=O)NC[C@@H]3C[N@@H+](C)CCO3)c2)CC1 ZINC000184906122 258384140 /nfs/dbraw/zinc/38/41/40/258384140.db2.gz AIUUKVLQVFZFEM-GOSISDBHSA-N 2 2 361.490 1.281 10 0 FDAELP O=S(=O)(CC[NH+]1CCCC1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000330056930 259124240 /nfs/dbraw/zinc/12/42/40/259124240.db2.gz WPUDIOVXSLCOFQ-UHFFFAOYSA-N 2 2 366.531 1.824 10 0 FDAELP O=C1NC2(CCCC2)C(=O)N1CC[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000330139532 259128702 /nfs/dbraw/zinc/12/87/02/259128702.db2.gz IUYZUJZBMGIHLJ-UHFFFAOYSA-N 2 2 371.485 1.705 10 0 FDAELP CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000052518860 523188225 /nfs/dbraw/zinc/18/82/25/523188225.db2.gz FIYAEVMMEQCFNE-OALUTQOASA-N 2 2 360.502 1.843 10 0 FDAELP CC[N@H+]1CCC[C@H](NC(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000052518860 523188235 /nfs/dbraw/zinc/18/82/35/523188235.db2.gz FIYAEVMMEQCFNE-OALUTQOASA-N 2 2 360.502 1.843 10 0 FDAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](Cc3cnn(C(C)(C)C)c3)CC2)C1 ZINC000121072549 524145042 /nfs/dbraw/zinc/14/50/42/524145042.db2.gz XGQYNDFVNSAHSR-LJQANCHMSA-N 2 2 363.550 1.865 10 0 FDAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](Cc3cnn(C(C)(C)C)c3)CC2)C1 ZINC000121072549 524145053 /nfs/dbraw/zinc/14/50/53/524145053.db2.gz XGQYNDFVNSAHSR-LJQANCHMSA-N 2 2 363.550 1.865 10 0 FDAELP C[N@H+]([C@@H]1CCN(CC(F)(F)F)C1=O)C1CC[NH+](CCn2cccn2)CC1 ZINC000111228467 524224512 /nfs/dbraw/zinc/22/45/12/524224512.db2.gz RRUIDSVIFKZMFJ-OAHLLOKOSA-N 2 2 373.423 1.443 10 0 FDAELP C[N@@H+]([C@@H]1CCN(CC(F)(F)F)C1=O)C1CC[NH+](CCn2cccn2)CC1 ZINC000111228467 524224517 /nfs/dbraw/zinc/22/45/17/524224517.db2.gz RRUIDSVIFKZMFJ-OAHLLOKOSA-N 2 2 373.423 1.443 10 0 FDAELP CC[N@H+](CCNC(=O)N1CC[NH+](Cc2cnc(C)s2)CC1)C1CC1 ZINC000111849968 524360069 /nfs/dbraw/zinc/36/00/69/524360069.db2.gz BKJHZLFBXYYCPA-UHFFFAOYSA-N 2 2 351.520 1.763 10 0 FDAELP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000173829650 524465347 /nfs/dbraw/zinc/46/53/47/524465347.db2.gz YBVPPLYMVIDMFH-HUUCEWRRSA-N 2 2 363.510 1.517 10 0 FDAELP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000173829650 524465354 /nfs/dbraw/zinc/46/53/54/524465354.db2.gz YBVPPLYMVIDMFH-HUUCEWRRSA-N 2 2 363.510 1.517 10 0 FDAELP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000113608260 524706885 /nfs/dbraw/zinc/70/68/85/524706885.db2.gz HOSGHQHUTBQMNB-QFBILLFUSA-N 3 2 363.550 1.423 10 0 FDAELP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000113608260 524706895 /nfs/dbraw/zinc/70/68/95/524706895.db2.gz HOSGHQHUTBQMNB-QFBILLFUSA-N 3 2 363.550 1.423 10 0 FDAELP CNc1cc(N2CCC[C@H]2CNC(=O)[C@@H](C)[NH+]2CCCCCC2)nc[nH+]1 ZINC000174742442 524720588 /nfs/dbraw/zinc/72/05/88/524720588.db2.gz ICGMSSWCBWTWPV-CVEARBPZSA-N 2 2 360.506 1.868 10 0 FDAELP CNc1cc(N2CCC[C@H]2CNC(=O)[C@@H](C)[NH+]2CCCCCC2)[nH+]cn1 ZINC000174742442 524720594 /nfs/dbraw/zinc/72/05/94/524720594.db2.gz ICGMSSWCBWTWPV-CVEARBPZSA-N 2 2 360.506 1.868 10 0 FDAELP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000152431222 524884183 /nfs/dbraw/zinc/88/41/83/524884183.db2.gz BIPGNCMDBOTCHO-MSOLQXFVSA-N 2 2 352.523 1.613 10 0 FDAELP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000152431222 524884194 /nfs/dbraw/zinc/88/41/94/524884194.db2.gz BIPGNCMDBOTCHO-MSOLQXFVSA-N 2 2 352.523 1.613 10 0 FDAELP Cc1ccc([C@@H](CNC(=O)NCCn2cc[nH+]c2)[NH+]2CCOCC2)s1 ZINC000176926585 525203147 /nfs/dbraw/zinc/20/31/47/525203147.db2.gz CKHFEJZVNLZICQ-OAHLLOKOSA-N 2 2 363.487 1.626 10 0 FDAELP Cc1ccc2[nH+]c(CSCC(=O)N3CCO[C@@H](C[NH+](C)C)C3)cn2c1 ZINC000116791816 525219227 /nfs/dbraw/zinc/21/92/27/525219227.db2.gz RBQYAAIYAUEASI-INIZCTEOSA-N 2 2 362.499 1.665 10 0 FDAELP COCC[N@@H+]1CCN(C(=O)NCc2cccnc2-n2cc[nH+]c2)C[C@@H]1C ZINC000117477123 525344570 /nfs/dbraw/zinc/34/45/70/525344570.db2.gz KIWCGADJMPDICI-HNNXBMFYSA-N 2 2 358.446 1.129 10 0 FDAELP COCC[N@H+]1CCN(C(=O)NCc2cccnc2-n2cc[nH+]c2)C[C@@H]1C ZINC000117477123 525344575 /nfs/dbraw/zinc/34/45/75/525344575.db2.gz KIWCGADJMPDICI-HNNXBMFYSA-N 2 2 358.446 1.129 10 0 FDAELP CCC(C)(C)NC(=O)[C@@H](C)[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000106121790 525614266 /nfs/dbraw/zinc/61/42/66/525614266.db2.gz MHGFYETXMJJIAJ-MSOLQXFVSA-N 2 2 368.566 1.407 10 0 FDAELP CCC(C)(C)NC(=O)[C@@H](C)[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000106121790 525614275 /nfs/dbraw/zinc/61/42/75/525614275.db2.gz MHGFYETXMJJIAJ-MSOLQXFVSA-N 2 2 368.566 1.407 10 0 FDAELP C[N@H+](Cc1cc(=O)n2ccccc2n1)C1CC[NH+](CCn2cccn2)CC1 ZINC000106129899 525621808 /nfs/dbraw/zinc/62/18/08/525621808.db2.gz UHJAEBANEUIGEM-UHFFFAOYSA-N 2 2 366.469 1.487 10 0 FDAELP C[N@@H+](Cc1cc(=O)n2ccccc2n1)C1CC[NH+](CCn2cccn2)CC1 ZINC000106129899 525621815 /nfs/dbraw/zinc/62/18/15/525621815.db2.gz UHJAEBANEUIGEM-UHFFFAOYSA-N 2 2 366.469 1.487 10 0 FDAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCO[C@H](Cn4cccn4)C3)c2cc1C ZINC000106189639 525659988 /nfs/dbraw/zinc/65/99/88/525659988.db2.gz BYUSWMATVMDKPQ-ROUUACIJSA-N 2 2 369.469 1.612 10 0 FDAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCO[C@H](Cn4cccn4)C3)c2cc1C ZINC000106189639 525659994 /nfs/dbraw/zinc/65/99/94/525659994.db2.gz BYUSWMATVMDKPQ-ROUUACIJSA-N 2 2 369.469 1.612 10 0 FDAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCC[C@H](n4cncn4)C3)c2cc1C ZINC000106218020 525677367 /nfs/dbraw/zinc/67/73/67/525677367.db2.gz GNIINYVDCHRMNE-DLBZAZTESA-N 2 2 354.458 1.943 10 0 FDAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCC[C@H](n4cncn4)C3)c2cc1C ZINC000106218020 525677377 /nfs/dbraw/zinc/67/73/77/525677377.db2.gz GNIINYVDCHRMNE-DLBZAZTESA-N 2 2 354.458 1.943 10 0 FDAELP C[C@H](CNC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)[NH+]1CCOCC1 ZINC000154969445 525698652 /nfs/dbraw/zinc/69/86/52/525698652.db2.gz PBZBYKIYZCMYAF-IEBWSBKVSA-N 2 2 361.486 1.114 10 0 FDAELP C[C@H](CNC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[NH+]1CCOCC1 ZINC000154969445 525698662 /nfs/dbraw/zinc/69/86/62/525698662.db2.gz PBZBYKIYZCMYAF-IEBWSBKVSA-N 2 2 361.486 1.114 10 0 FDAELP Cc1ccc([C@@H](CNC(=O)N2CC[C@@H]([NH+](C)C)C2)[NH+]2CCOCC2)cc1 ZINC000170832579 525729950 /nfs/dbraw/zinc/72/99/50/525729950.db2.gz NZNSDXHQURWSSE-RTBURBONSA-N 2 2 360.502 1.714 10 0 FDAELP C[N@@H+]1CCO[C@@H](CNC(=O)NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000170921464 525770790 /nfs/dbraw/zinc/77/07/90/525770790.db2.gz ZBMRAKIUDGKOGV-IBGZPJMESA-N 2 2 360.502 1.323 10 0 FDAELP C[N@H+]1CCO[C@@H](CNC(=O)NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000170921464 525770797 /nfs/dbraw/zinc/77/07/97/525770797.db2.gz ZBMRAKIUDGKOGV-IBGZPJMESA-N 2 2 360.502 1.323 10 0 FDAELP CCn1cc(C[N@@H+]2CCCN(C(=O)c3c[nH+]ccc3N(C)C)CC2)cn1 ZINC000183562974 536004532 /nfs/dbraw/zinc/00/45/32/536004532.db2.gz UKRYZVIWWDHLNZ-UHFFFAOYSA-N 2 2 356.474 1.712 10 0 FDAELP CCn1cc(C[N@H+]2CCCN(C(=O)c3c[nH+]ccc3N(C)C)CC2)cn1 ZINC000183562974 536004538 /nfs/dbraw/zinc/00/45/38/536004538.db2.gz UKRYZVIWWDHLNZ-UHFFFAOYSA-N 2 2 356.474 1.712 10 0 FDAELP CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)N2CC[C@@H]([NH+](C)C)C2)CC1 ZINC000186872006 536246999 /nfs/dbraw/zinc/24/69/99/536246999.db2.gz BWJUTDMDQQRZRM-GOSISDBHSA-N 2 2 373.501 1.519 10 0 FDAELP C[N@@H+]1CCO[C@H](CNC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000246384265 536940744 /nfs/dbraw/zinc/94/07/44/536940744.db2.gz HVJAARNAYDJLNV-HUUCEWRRSA-N 2 2 352.504 1.515 10 0 FDAELP C[N@H+]1CCO[C@H](CNC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000246384265 536940748 /nfs/dbraw/zinc/94/07/48/536940748.db2.gz HVJAARNAYDJLNV-HUUCEWRRSA-N 2 2 352.504 1.515 10 0 FDAELP CN1CC[NH+](Cc2cccc(-c3nc([C@@H]4C[NH2+]CCN4C)no3)c2)CC1 ZINC000263263958 537003702 /nfs/dbraw/zinc/00/37/02/537003702.db2.gz RILCJRGFPCUUJY-KRWDZBQOSA-N 2 2 356.474 1.060 10 0 FDAELP C[C@@H]1C(=O)NCCC[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000189288322 537022071 /nfs/dbraw/zinc/02/20/71/537022071.db2.gz QUAFMKVQPPMIMO-MRXNPFEDSA-N 2 2 358.486 1.109 10 0 FDAELP C[C@@H]1C(=O)NCCC[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000189288322 537022077 /nfs/dbraw/zinc/02/20/77/537022077.db2.gz QUAFMKVQPPMIMO-MRXNPFEDSA-N 2 2 358.486 1.109 10 0 FDAELP C[C@@H]1C[N@@H+]([C@H](CNC(=O)NC2CC[NH+](C)CC2)c2cccs2)CCO1 ZINC000246937613 537055071 /nfs/dbraw/zinc/05/50/71/537055071.db2.gz OSJJPDUEFBGRJG-GDBMZVCRSA-N 2 2 366.531 1.903 10 0 FDAELP C[C@@H]1C[N@H+]([C@H](CNC(=O)NC2CC[NH+](C)CC2)c2cccs2)CCO1 ZINC000246937613 537055074 /nfs/dbraw/zinc/05/50/74/537055074.db2.gz OSJJPDUEFBGRJG-GDBMZVCRSA-N 2 2 366.531 1.903 10 0 FDAELP CCC(CC)[C@H](C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1)[NH+]1CCOCC1 ZINC000247198023 537093556 /nfs/dbraw/zinc/09/35/56/537093556.db2.gz UBEPJJVXJVLFOV-YTQUADARSA-N 2 2 367.534 1.303 10 0 FDAELP CC(C)[C@@H](C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000247249465 537101682 /nfs/dbraw/zinc/10/16/82/537101682.db2.gz YTEQBHSXPJUQQY-OYSTVDSJSA-N 2 2 367.534 1.299 10 0 FDAELP CC(C)[C@@H](C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000247249465 537101685 /nfs/dbraw/zinc/10/16/85/537101685.db2.gz YTEQBHSXPJUQQY-OYSTVDSJSA-N 2 2 367.534 1.299 10 0 FDAELP CCN(C[C@H]1COc2ccccc2O1)C(=O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000247545528 537131781 /nfs/dbraw/zinc/13/17/81/537131781.db2.gz YTVYLVVLILNNSN-IRXDYDNUSA-N 2 2 361.486 1.558 10 0 FDAELP CCN(C[C@H]1COc2ccccc2O1)C(=O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000247545528 537131783 /nfs/dbraw/zinc/13/17/83/537131783.db2.gz YTVYLVVLILNNSN-IRXDYDNUSA-N 2 2 361.486 1.558 10 0 FDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N[C@H](CC(C)C)C(=O)OC)C1 ZINC000247809998 537151944 /nfs/dbraw/zinc/15/19/44/537151944.db2.gz UQAFQGJJZODKNH-HZPDHXFCSA-N 2 2 364.490 1.786 10 0 FDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N[C@H](CC(C)C)C(=O)OC)C1 ZINC000247809998 537151947 /nfs/dbraw/zinc/15/19/47/537151947.db2.gz UQAFQGJJZODKNH-HZPDHXFCSA-N 2 2 364.490 1.786 10 0 FDAELP CC[C@@H]1CN(C(=O)NCc2cn3c(cccc3C)[nH+]2)CC[N@@H+]1C[C@H](C)O ZINC000248486550 537187339 /nfs/dbraw/zinc/18/73/39/537187339.db2.gz LIKUSBVFQAFDRD-DOTOQJQBSA-N 2 2 359.474 1.629 10 0 FDAELP CC[C@@H]1CN(C(=O)NCc2cn3c(cccc3C)[nH+]2)CC[N@H+]1C[C@H](C)O ZINC000248486550 537187341 /nfs/dbraw/zinc/18/73/41/537187341.db2.gz LIKUSBVFQAFDRD-DOTOQJQBSA-N 2 2 359.474 1.629 10 0 FDAELP CNC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1C1CC[NH+](Cc2c[nH]c3ccccc23)CC1 ZINC000257189489 537252711 /nfs/dbraw/zinc/25/27/11/537252711.db2.gz JANRXNGLHGNMPG-APWZRJJASA-N 2 2 356.470 1.314 10 0 FDAELP CNC(=O)[C@@H]1C[C@@H](O)C[N@H+]1C1CC[NH+](Cc2c[nH]c3ccccc23)CC1 ZINC000257189489 537252713 /nfs/dbraw/zinc/25/27/13/537252713.db2.gz JANRXNGLHGNMPG-APWZRJJASA-N 2 2 356.470 1.314 10 0 FDAELP Cn1cc[nH+]c1CN(C(=O)COC[C@@H]1CCCO1)[C@@H]1CC12CC[NH2+]CC2 ZINC000582885093 551276934 /nfs/dbraw/zinc/27/69/34/551276934.db2.gz NTYFSJBNWLLWTK-JKSUJKDBSA-N 2 2 362.474 1.086 10 0 FDAELP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cccc(Br)c1OC(F)F ZINC000262179798 672741704 /nfs/dbraw/zinc/74/17/04/672741704.db2.gz WOYCLXNNODKRSO-GXSJLCMTSA-N 2 2 351.191 1.720 10 0 FDAELP Cn1ncc2c1nc[nH+]c2N1CCC[C@@H]([N@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000192268781 178106329 /nfs/dbraw/zinc/10/63/29/178106329.db2.gz VHFSRVKLMRGXDW-CQSZACIVSA-N 2 2 374.489 1.996 10 0 FDAELP Cn1ncc2c1nc[nH+]c2N1CCC[C@@H]([N@@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000192268781 178106330 /nfs/dbraw/zinc/10/63/30/178106330.db2.gz VHFSRVKLMRGXDW-CQSZACIVSA-N 2 2 374.489 1.996 10 0 FDAELP O=C([C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000245427598 178356452 /nfs/dbraw/zinc/35/64/52/178356452.db2.gz WBPGNBHEGJFKSP-MOPGFXCFSA-N 2 2 361.461 1.723 10 0 FDAELP O=C([C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000245427598 178356456 /nfs/dbraw/zinc/35/64/56/178356456.db2.gz WBPGNBHEGJFKSP-MOPGFXCFSA-N 2 2 361.461 1.723 10 0 FDAELP C[C@H](NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)[C@H]1CCCO1 ZINC000245952638 178392769 /nfs/dbraw/zinc/39/27/69/178392769.db2.gz VVERQFGTNMYWJI-HVVXOQGOSA-N 2 2 350.507 1.506 10 0 FDAELP C[C@H](NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)[C@H]1CCCO1 ZINC000245952638 178392770 /nfs/dbraw/zinc/39/27/70/178392770.db2.gz VVERQFGTNMYWJI-HVVXOQGOSA-N 2 2 350.507 1.506 10 0 FDAELP CCCNC(=O)CN(C)C(=O)C[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000171651315 258267034 /nfs/dbraw/zinc/26/70/34/258267034.db2.gz ZNDLLMHDMQQGRN-INIZCTEOSA-N 2 2 361.490 1.108 10 0 FDAELP CCCNC(=O)CN(C)C(=O)C[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000171651315 258267035 /nfs/dbraw/zinc/26/70/35/258267035.db2.gz ZNDLLMHDMQQGRN-INIZCTEOSA-N 2 2 361.490 1.108 10 0 FDAELP C[NH+](C)[C@H]1CCN(C(=O)C(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)C1 ZINC000170843995 258265195 /nfs/dbraw/zinc/26/51/95/258265195.db2.gz KRIRRXPIFHXLOB-HNNXBMFYSA-N 2 2 354.410 1.975 10 0 FDAELP C[C@@H]1C[N@@H+](C2CC[NH+](CCC(=O)Nc3ccc(C(N)=O)cc3)CC2)CCO1 ZINC000067400146 172009406 /nfs/dbraw/zinc/00/94/06/172009406.db2.gz UTJHVDVJXJEWSQ-OAHLLOKOSA-N 2 2 374.485 1.299 10 0 FDAELP C[C@@H]1C[N@H+](C2CC[NH+](CCC(=O)Nc3ccc(C(N)=O)cc3)CC2)CCO1 ZINC000067400146 172009410 /nfs/dbraw/zinc/00/94/10/172009410.db2.gz UTJHVDVJXJEWSQ-OAHLLOKOSA-N 2 2 374.485 1.299 10 0 FDAELP C[C@@H](CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)[NH+]1CCOCC1 ZINC000071913285 172040627 /nfs/dbraw/zinc/04/06/27/172040627.db2.gz MDQSWMIJWQLNDR-PKOBYXMFSA-N 2 2 360.502 1.843 10 0 FDAELP COc1c(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)c(C)nn1C ZINC000093142775 172313061 /nfs/dbraw/zinc/31/30/61/172313061.db2.gz BVLUBIMWPCEWFB-UHFFFAOYSA-N 2 2 363.506 1.113 10 0 FDAELP C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000105077385 172393965 /nfs/dbraw/zinc/39/39/65/172393965.db2.gz JFAITGJHMAIUJJ-HOTGVXAUSA-N 2 2 350.463 1.436 10 0 FDAELP C[N@H+]1CCO[C@@H](CNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000105077385 172393967 /nfs/dbraw/zinc/39/39/67/172393967.db2.gz JFAITGJHMAIUJJ-HOTGVXAUSA-N 2 2 350.463 1.436 10 0 FDAELP C[C@H](COCc1ccccc1)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000175830629 174031369 /nfs/dbraw/zinc/03/13/69/174031369.db2.gz AGPNLFXQHQRABV-QGZVFWFLSA-N 2 2 362.518 1.917 10 0 FDAELP Cc1nc2n(n1)CCC[C@H]2NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000175880981 174034647 /nfs/dbraw/zinc/03/46/47/174034647.db2.gz CMDXVVBKAHMZBZ-MRXNPFEDSA-N 2 2 363.510 1.089 10 0 FDAELP Cc1nc2n(n1)CCC[C@H]2NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000175880981 174034649 /nfs/dbraw/zinc/03/46/49/174034649.db2.gz CMDXVVBKAHMZBZ-MRXNPFEDSA-N 2 2 363.510 1.089 10 0 FDAELP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000176433920 174070339 /nfs/dbraw/zinc/07/03/39/174070339.db2.gz YHTHZUGTIRHRIV-RBUKOAKNSA-N 2 2 360.502 1.481 10 0 FDAELP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000176433920 174070340 /nfs/dbraw/zinc/07/03/40/174070340.db2.gz YHTHZUGTIRHRIV-RBUKOAKNSA-N 2 2 360.502 1.481 10 0 FDAELP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000176433920 174070342 /nfs/dbraw/zinc/07/03/42/174070342.db2.gz YHTHZUGTIRHRIV-RBUKOAKNSA-N 2 2 360.502 1.481 10 0 FDAELP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000176433920 174070344 /nfs/dbraw/zinc/07/03/44/174070344.db2.gz YHTHZUGTIRHRIV-RBUKOAKNSA-N 2 2 360.502 1.481 10 0 FDAELP CC[C@H](O)C[NH+]1CCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000181527588 174230297 /nfs/dbraw/zinc/23/02/97/174230297.db2.gz WAVWPGADTGOHKQ-DLBZAZTESA-N 2 2 364.490 1.515 10 0 FDAELP C[NH+](C)[C@@H](CNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)C1CCCCC1 ZINC000173799218 258311445 /nfs/dbraw/zinc/31/14/45/258311445.db2.gz LVDHGEVTSMSQEZ-ROUUACIJSA-N 2 2 352.523 1.613 10 0 FDAELP Cc1cnn([C@@H]2CCCN(C(=O)NCC[NH+]3CCC([NH+](C)C)CC3)C2)c1 ZINC000179318554 258348424 /nfs/dbraw/zinc/34/84/24/258348424.db2.gz PALQCLZKLKJZKE-GOSISDBHSA-N 2 2 362.522 1.564 10 0 FDAELP Cc1[nH+]ccn1-c1cncc(NC[C@@]2([NH+]3CCOCC3)CCSC2)n1 ZINC000301803245 259033895 /nfs/dbraw/zinc/03/38/95/259033895.db2.gz DCNKAOANFNQDOX-KRWDZBQOSA-N 2 2 360.487 1.591 10 0 FDAELP C[C@@H]1CN(C(=O)c2ccc3[nH]c(=O)n(C)c3c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000329099352 259077241 /nfs/dbraw/zinc/07/72/41/259077241.db2.gz MGKYSCWWFMHASC-CQSZACIVSA-N 2 2 371.485 1.519 10 0 FDAELP C[C@@H]1CN(C(=O)c2ccc3[nH]c(=O)n(C)c3c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000329099352 259077242 /nfs/dbraw/zinc/07/72/42/259077242.db2.gz MGKYSCWWFMHASC-CQSZACIVSA-N 2 2 371.485 1.519 10 0 FDAELP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)CC1 ZINC000329293039 259088864 /nfs/dbraw/zinc/08/88/64/259088864.db2.gz RKZFFYVCWLBTTD-KRWDZBQOSA-N 2 2 357.458 1.405 10 0 FDAELP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)CC1 ZINC000329293039 259088865 /nfs/dbraw/zinc/08/88/65/259088865.db2.gz RKZFFYVCWLBTTD-KRWDZBQOSA-N 2 2 357.458 1.405 10 0 FDAELP C[NH+](C)[C@H]1CC[C@@H](NC(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000333521076 259356429 /nfs/dbraw/zinc/35/64/29/259356429.db2.gz ZKOIGIPQYCRODX-ZBFHGGJFSA-N 2 2 374.489 1.073 10 0 FDAELP C[C@@H](CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[NH+]1CCOCC1 ZINC000077715692 523426172 /nfs/dbraw/zinc/42/61/72/523426172.db2.gz IEXWTJISBDGHFC-KRWDZBQOSA-N 2 2 360.502 1.802 10 0 FDAELP CC(=O)Nc1ccc(C[NH+]2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)cc1 ZINC000121042178 524133598 /nfs/dbraw/zinc/13/35/98/524133598.db2.gz UHXDYRBMGJWDFJ-OAQYLSRUSA-N 2 2 374.529 1.872 10 0 FDAELP CC(=O)Nc1ccc(C[NH+]2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)cc1 ZINC000121042178 524133609 /nfs/dbraw/zinc/13/36/09/524133609.db2.gz UHXDYRBMGJWDFJ-OAQYLSRUSA-N 2 2 374.529 1.872 10 0 FDAELP CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)C1 ZINC000111836869 524353282 /nfs/dbraw/zinc/35/32/82/524353282.db2.gz HRKFBJATEDWMDG-UXHICEINSA-N 2 2 374.529 1.713 10 0 FDAELP CC[N@H+]1CCC[C@@H](NC(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)C1 ZINC000111836869 524353287 /nfs/dbraw/zinc/35/32/87/524353287.db2.gz HRKFBJATEDWMDG-UXHICEINSA-N 2 2 374.529 1.713 10 0 FDAELP CC(C)[C@@H](CNC(=O)NC[C@H](C)[NH+]1CCOCC1)[NH+]1CCC(C)CC1 ZINC000121942367 524413048 /nfs/dbraw/zinc/41/30/48/524413048.db2.gz UYVYCWBWBGHYAD-ZWKOTPCHSA-N 2 2 354.539 1.763 10 0 FDAELP Cc1ccc([C@@H](CNC(=O)N2CC[C@@H]([NH+](C)C)C2)[NH+]2CCOCC2)s1 ZINC000175011605 524833373 /nfs/dbraw/zinc/83/33/73/524833373.db2.gz VSCIJFZNKMKKMP-HZPDHXFCSA-N 2 2 366.531 1.775 10 0 FDAELP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCSCC2)CC1 ZINC000152666494 524964841 /nfs/dbraw/zinc/96/48/41/524964841.db2.gz GTYUFYMUCGOGGA-INIZCTEOSA-N 2 2 365.547 1.118 10 0 FDAELP C[C@H](CNC(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1)[N@H+](C)C1CC1 ZINC000117045894 525277458 /nfs/dbraw/zinc/27/74/58/525277458.db2.gz SYXFMCBPOOZJOZ-APWZRJJASA-N 2 2 360.502 1.530 10 0 FDAELP C[C@H](CNC(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1)[N@@H+](C)C1CC1 ZINC000117045894 525277469 /nfs/dbraw/zinc/27/74/69/525277469.db2.gz SYXFMCBPOOZJOZ-APWZRJJASA-N 2 2 360.502 1.530 10 0 FDAELP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2CC[NH+]3CCCC[C@@H]3C2)C[C@H](C)O1 ZINC000105099172 525464558 /nfs/dbraw/zinc/46/45/58/525464558.db2.gz CTHARXRVGJFQEK-IXDOHACOSA-N 2 2 352.523 1.754 10 0 FDAELP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N2CC[NH+]3CCCC[C@@H]3C2)C[C@H](C)O1 ZINC000105099172 525464563 /nfs/dbraw/zinc/46/45/63/525464563.db2.gz CTHARXRVGJFQEK-IXDOHACOSA-N 2 2 352.523 1.754 10 0 FDAELP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)C[C@H](C)O1 ZINC000105099172 525464573 /nfs/dbraw/zinc/46/45/73/525464573.db2.gz CTHARXRVGJFQEK-IXDOHACOSA-N 2 2 352.523 1.754 10 0 FDAELP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)C[C@H](C)O1 ZINC000105099172 525464581 /nfs/dbraw/zinc/46/45/81/525464581.db2.gz CTHARXRVGJFQEK-IXDOHACOSA-N 2 2 352.523 1.754 10 0 FDAELP Cc1cnn([C@H]2CCC[N@H+](CC(=O)NCC(C)(C)[NH+]3CCOCC3)C2)c1 ZINC000106219566 525679033 /nfs/dbraw/zinc/67/90/33/525679033.db2.gz RQLZMMQJMFDMFR-KRWDZBQOSA-N 2 2 363.506 1.055 10 0 FDAELP Cc1cnn([C@H]2CCC[N@@H+](CC(=O)NCC(C)(C)[NH+]3CCOCC3)C2)c1 ZINC000106219566 525679039 /nfs/dbraw/zinc/67/90/39/525679039.db2.gz RQLZMMQJMFDMFR-KRWDZBQOSA-N 2 2 363.506 1.055 10 0 FDAELP CC[N@@H+]1CCC[C@@H]([NH2+]C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)C1 ZINC000183712637 536034279 /nfs/dbraw/zinc/03/42/79/536034279.db2.gz SMIILOVISDFBCY-MRXNPFEDSA-N 2 2 369.535 1.254 10 0 FDAELP CC[N@H+]1CCC[C@@H]([NH2+]C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)C1 ZINC000183712637 536034281 /nfs/dbraw/zinc/03/42/81/536034281.db2.gz SMIILOVISDFBCY-MRXNPFEDSA-N 2 2 369.535 1.254 10 0 FDAELP NC(=O)C1CC[NH+](Cc2cccc(NC(=O)[C@H]3CC(F)(F)C[NH2+]3)c2)CC1 ZINC000263024253 536962837 /nfs/dbraw/zinc/96/28/37/536962837.db2.gz RDYKCSSNPOPHOQ-OAHLLOKOSA-N 2 2 366.412 1.320 10 0 FDAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3C[C@@H](C)[C@@H](N4CCOCC4)C3)c2cc1C ZINC000246506398 536969370 /nfs/dbraw/zinc/96/93/70/536969370.db2.gz QFCYWFSTBXTYDJ-OPYAIIAOSA-N 2 2 372.513 1.667 10 0 FDAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3C[C@@H](C)[C@@H](N4CCOCC4)C3)c2cc1C ZINC000246506398 536969374 /nfs/dbraw/zinc/96/93/74/536969374.db2.gz QFCYWFSTBXTYDJ-OPYAIIAOSA-N 2 2 372.513 1.667 10 0 FDAELP [NH3+][C@@H]1CCC[C@H](C(=O)N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)C1 ZINC000246534770 536974954 /nfs/dbraw/zinc/97/49/54/536974954.db2.gz RZDCQGKWLFCADW-KSZLIROESA-N 2 2 361.486 1.088 10 0 FDAELP C[C@@H]([NH2+]C1(CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)CCOCC1)c1ccccc1 ZINC000263168255 536986514 /nfs/dbraw/zinc/98/65/14/536986514.db2.gz FLJXNLHEGYHGRI-ZBFHGGJFSA-N 2 2 367.440 2.000 10 0 FDAELP [NH3+]CC1(c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)CCOCC1 ZINC000263206545 536992983 /nfs/dbraw/zinc/99/29/83/536992983.db2.gz JUECHNYHOXBVLT-UHFFFAOYSA-N 2 2 358.442 1.576 10 0 FDAELP CN1CC[NH2+]C[C@H]1c1noc(C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000263304808 537013347 /nfs/dbraw/zinc/01/33/47/537013347.db2.gz XQOYHMNSFHERSS-SJORKVTESA-N 2 2 357.458 1.089 10 0 FDAELP CN1CC[NH2+]C[C@H]1c1noc(C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000263304808 537013351 /nfs/dbraw/zinc/01/33/51/537013351.db2.gz XQOYHMNSFHERSS-SJORKVTESA-N 2 2 357.458 1.089 10 0 FDAELP O[C@@H](COCc1ccc(Cl)cc1)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246961748 537058808 /nfs/dbraw/zinc/05/88/08/537058808.db2.gz RNNSTIXLIFVHKT-PKOBYXMFSA-N 2 2 368.905 1.872 10 0 FDAELP O[C@@H](COCc1ccc(Cl)cc1)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246961748 537058810 /nfs/dbraw/zinc/05/88/10/537058810.db2.gz RNNSTIXLIFVHKT-PKOBYXMFSA-N 2 2 368.905 1.872 10 0 FDAELP CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H](C)[NH+]2CCOCC2)[C@@H](C)C1 ZINC000247098364 537081199 /nfs/dbraw/zinc/08/11/99/537081199.db2.gz FCBVZOWTYKIQDI-KSZLIROESA-N 2 2 370.538 1.143 10 0 FDAELP CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@@H](C)[NH+]2CCOCC2)[C@@H](C)C1 ZINC000247098364 537081205 /nfs/dbraw/zinc/08/12/05/537081205.db2.gz FCBVZOWTYKIQDI-KSZLIROESA-N 2 2 370.538 1.143 10 0 FDAELP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000247154760 537088092 /nfs/dbraw/zinc/08/80/92/537088092.db2.gz QESLDXWUCAGVOG-KZNAEPCWSA-N 2 2 366.550 1.859 10 0 FDAELP CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CC1 ZINC000247198276 537093098 /nfs/dbraw/zinc/09/30/98/537093098.db2.gz UDGQMLMTNMPXHH-ROUUACIJSA-N 2 2 351.539 1.140 10 0 FDAELP CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CC[N@H+]3CCCC[C@H]3C2)CC1 ZINC000247198276 537093103 /nfs/dbraw/zinc/09/31/03/537093103.db2.gz UDGQMLMTNMPXHH-ROUUACIJSA-N 2 2 351.539 1.140 10 0 FDAELP CC[NH+]1CCN(C[C@@H](C)CNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CC1 ZINC000247198276 537093106 /nfs/dbraw/zinc/09/31/06/537093106.db2.gz UDGQMLMTNMPXHH-ROUUACIJSA-N 2 2 351.539 1.140 10 0 FDAELP CC[NH+]1CCN(C[C@@H](C)CNC(=O)N2CC[N@H+]3CCCC[C@H]3C2)CC1 ZINC000247198276 537093110 /nfs/dbraw/zinc/09/31/10/537093110.db2.gz UDGQMLMTNMPXHH-ROUUACIJSA-N 2 2 351.539 1.140 10 0 FDAELP C[C@H]([NH2+]CC(=O)NCCCN1CCCC1=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000189899031 537112109 /nfs/dbraw/zinc/11/21/09/537112109.db2.gz NWFMCJTXZBDDIK-INIZCTEOSA-N 2 2 369.469 1.652 10 0 FDAELP Cc1cccc([C@@H](CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)[NH+]2CCOCC2)c1 ZINC000247483377 537124026 /nfs/dbraw/zinc/12/40/26/537124026.db2.gz JZDPYVOGSCKFCH-VQTJNVASSA-N 2 2 372.513 1.858 10 0 FDAELP Cc1cccc([C@@H](CNC(=O)N2CC[N@H+]3CCC[C@H]3C2)[NH+]2CCOCC2)c1 ZINC000247483377 537124028 /nfs/dbraw/zinc/12/40/28/537124028.db2.gz JZDPYVOGSCKFCH-VQTJNVASSA-N 2 2 372.513 1.858 10 0 FDAELP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000247505735 537127106 /nfs/dbraw/zinc/12/71/06/537127106.db2.gz XXSUFWRWFQVJMN-JFIYKMOQSA-N 2 2 370.563 1.222 10 0 FDAELP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000247505735 537127108 /nfs/dbraw/zinc/12/71/08/537127108.db2.gz XXSUFWRWFQVJMN-JFIYKMOQSA-N 2 2 370.563 1.222 10 0 FDAELP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000247535740 537130901 /nfs/dbraw/zinc/13/09/01/537130901.db2.gz XZOQOTYYJMIPRG-YZGWKJHDSA-N 2 2 372.513 1.938 10 0 FDAELP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000247535740 537130903 /nfs/dbraw/zinc/13/09/03/537130903.db2.gz XZOQOTYYJMIPRG-YZGWKJHDSA-N 2 2 372.513 1.938 10 0 FDAELP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000247535734 537131066 /nfs/dbraw/zinc/13/10/66/537131066.db2.gz XZOQOTYYJMIPRG-MISYRCLQSA-N 2 2 372.513 1.938 10 0 FDAELP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000247535734 537131070 /nfs/dbraw/zinc/13/10/70/537131070.db2.gz XZOQOTYYJMIPRG-MISYRCLQSA-N 2 2 372.513 1.938 10 0 FDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N(C)CC(=O)NC2CC2)C1 ZINC000247560075 537134347 /nfs/dbraw/zinc/13/43/47/537134347.db2.gz FWSIYEKVMCCABI-GDBMZVCRSA-N 2 2 361.490 1.208 10 0 FDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)N(C)CC(=O)NC2CC2)C1 ZINC000247560075 537134348 /nfs/dbraw/zinc/13/43/48/537134348.db2.gz FWSIYEKVMCCABI-GDBMZVCRSA-N 2 2 361.490 1.208 10 0 FDAELP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)cn1 ZINC000248599628 537195738 /nfs/dbraw/zinc/19/57/38/537195738.db2.gz IVRJEXDHTMKBBY-GJZGRUSLSA-N 2 2 372.473 1.172 10 0 FDAELP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)cn1 ZINC000248599628 537195740 /nfs/dbraw/zinc/19/57/40/537195740.db2.gz IVRJEXDHTMKBBY-GJZGRUSLSA-N 2 2 372.473 1.172 10 0 FDAELP COCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000248657739 537202328 /nfs/dbraw/zinc/20/23/28/537202328.db2.gz SUMFOSNUXDKRBO-HZPDHXFCSA-N 2 2 368.547 1.746 10 0 FDAELP COCCCNC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000248657739 537202331 /nfs/dbraw/zinc/20/23/31/537202331.db2.gz SUMFOSNUXDKRBO-HZPDHXFCSA-N 2 2 368.547 1.746 10 0 FDAELP COCCCNC(=O)[C@@H](C)[NH+]1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000248657739 537202333 /nfs/dbraw/zinc/20/23/33/537202333.db2.gz SUMFOSNUXDKRBO-HZPDHXFCSA-N 2 2 368.547 1.746 10 0 FDAELP COCCCNC(=O)[C@@H](C)[NH+]1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000248657739 537202334 /nfs/dbraw/zinc/20/23/34/537202334.db2.gz SUMFOSNUXDKRBO-HZPDHXFCSA-N 2 2 368.547 1.746 10 0 FDAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](C[C@@H](O)CC(F)(F)F)CC2)C1 ZINC000248955633 537222945 /nfs/dbraw/zinc/22/29/45/537222945.db2.gz FUNOCIDEYBTDKY-LSDHHAIUSA-N 2 2 353.429 1.027 10 0 FDAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](C[C@@H](O)CC(F)(F)F)CC2)C1 ZINC000248955633 537222946 /nfs/dbraw/zinc/22/29/46/537222946.db2.gz FUNOCIDEYBTDKY-LSDHHAIUSA-N 2 2 353.429 1.027 10 0 FDAELP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)C12CCOCC2 ZINC000249003006 537224568 /nfs/dbraw/zinc/22/45/68/537224568.db2.gz NKUDPFYNVFLJFW-QHAWAJNXSA-N 2 2 374.525 1.969 10 0 FDAELP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)C12CCOCC2 ZINC000249003006 537224569 /nfs/dbraw/zinc/22/45/69/537224569.db2.gz NKUDPFYNVFLJFW-QHAWAJNXSA-N 2 2 374.525 1.969 10 0 FDAELP C[C@H](CNC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)[NH+]1CCOCC1 ZINC000193095938 537239783 /nfs/dbraw/zinc/23/97/83/537239783.db2.gz BQAKXLNBMSSRGW-PBHICJAKSA-N 2 2 368.909 1.963 10 0 FDAELP Cc1nnc([C@@H]2CC3(C[N@@H+]2Cc2cccnc2)CC[NH+](CCO)CC3)o1 ZINC000257191269 537252790 /nfs/dbraw/zinc/25/27/90/537252790.db2.gz PTPCNEBVUBTYCI-KRWDZBQOSA-N 2 2 357.458 1.795 10 0 FDAELP Cc1nnc([C@@H]2CC3(C[N@H+]2Cc2cccnc2)CC[NH+](CCO)CC3)o1 ZINC000257191269 537252791 /nfs/dbraw/zinc/25/27/91/537252791.db2.gz PTPCNEBVUBTYCI-KRWDZBQOSA-N 2 2 357.458 1.795 10 0 FDAELP Cn1c[nH+]c([C@@H]2CN(C(=O)c3ccc(N4CCCC4=O)cc3)C[C@H]2[NH3+])c1 ZINC000685942812 571103342 /nfs/dbraw/zinc/10/33/42/571103342.db2.gz ORWWWHNOYJVIGK-HZPDHXFCSA-N 2 2 353.426 1.114 10 0 FDAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](CCO[C@@H]3CCCCO3)CC2)C1 ZINC000193050419 178144559 /nfs/dbraw/zinc/14/45/59/178144559.db2.gz OALLPYMMLDVPSM-RBUKOAKNSA-N 2 2 355.523 1.256 10 0 FDAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](CCO[C@@H]3CCCCO3)CC2)C1 ZINC000193050419 178144561 /nfs/dbraw/zinc/14/45/61/178144561.db2.gz OALLPYMMLDVPSM-RBUKOAKNSA-N 2 2 355.523 1.256 10 0 FDAELP C[C@H](O)C[N@@H+]1CCN(C(=O)NCC[NH+]2CCc3sccc3C2)C[C@H]1C ZINC000245893810 178386116 /nfs/dbraw/zinc/38/61/16/178386116.db2.gz QPBURPUCCXUQBD-CABCVRRESA-N 2 2 366.531 1.203 10 0 FDAELP C[C@H](O)C[N@H+]1CCN(C(=O)NCC[NH+]2CCc3sccc3C2)C[C@H]1C ZINC000245893810 178386119 /nfs/dbraw/zinc/38/61/19/178386119.db2.gz QPBURPUCCXUQBD-CABCVRRESA-N 2 2 366.531 1.203 10 0 FDAELP C[C@H](O)C[NH+]1CCN(C(=O)NCC[N@@H+]2CCc3sccc3C2)C[C@H]1C ZINC000245893810 178386120 /nfs/dbraw/zinc/38/61/20/178386120.db2.gz QPBURPUCCXUQBD-CABCVRRESA-N 2 2 366.531 1.203 10 0 FDAELP C[C@H](O)C[NH+]1CCN(C(=O)NCC[N@H+]2CCc3sccc3C2)C[C@H]1C ZINC000245893810 178386123 /nfs/dbraw/zinc/38/61/23/178386123.db2.gz QPBURPUCCXUQBD-CABCVRRESA-N 2 2 366.531 1.203 10 0 FDAELP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000245639078 178372430 /nfs/dbraw/zinc/37/24/30/178372430.db2.gz CYFUSOJQYRCJBV-IEBWSBKVSA-N 2 2 360.502 1.623 10 0 FDAELP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000245639078 178372431 /nfs/dbraw/zinc/37/24/31/178372431.db2.gz CYFUSOJQYRCJBV-IEBWSBKVSA-N 2 2 360.502 1.623 10 0 FDAELP COc1cccc(C[N@@H+]2CCc3c(cc(C(=O)NCC[NH+](C)C)n3C)C2)c1 ZINC000065210984 221180417 /nfs/dbraw/zinc/18/04/17/221180417.db2.gz HQVFPKFMKAJYRL-UHFFFAOYSA-N 2 2 370.497 1.883 10 0 FDAELP COc1cccc(C[N@H+]2CCc3c(cc(C(=O)NCC[NH+](C)C)n3C)C2)c1 ZINC000065210984 221180420 /nfs/dbraw/zinc/18/04/20/221180420.db2.gz HQVFPKFMKAJYRL-UHFFFAOYSA-N 2 2 370.497 1.883 10 0 FDAELP C[NH+]1CCN(C(=O)CC[C@H]2CCCN(c3cc(NC4CC4)[nH+]cn3)C2)CC1 ZINC000065245153 221185812 /nfs/dbraw/zinc/18/58/12/221185812.db2.gz GGCTUHFDOZVWBH-MRXNPFEDSA-N 2 2 372.517 1.822 10 0 FDAELP C[NH+]1CCN(C(=O)CC[C@H]2CCCN(c3cc(NC4CC4)nc[nH+]3)C2)CC1 ZINC000065245153 221185814 /nfs/dbraw/zinc/18/58/14/221185814.db2.gz GGCTUHFDOZVWBH-MRXNPFEDSA-N 2 2 372.517 1.822 10 0 FDAELP CCC(CC)[C@@H](C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)[NH+]1CCOCC1 ZINC000172765403 258284244 /nfs/dbraw/zinc/28/42/44/258284244.db2.gz ZHOYNJOCWDXAQI-MSOLQXFVSA-N 2 2 353.507 1.057 10 0 FDAELP CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC[C@H]([NH+]3CCCC3)C2)nc[nH+]1 ZINC000173425278 258299155 /nfs/dbraw/zinc/29/91/55/258299155.db2.gz DNVJDHWDPLBXKW-CVEARBPZSA-N 2 2 373.505 1.367 10 0 FDAELP CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC[C@H]([NH+]3CCCC3)C2)[nH+]cn1 ZINC000173425278 258299156 /nfs/dbraw/zinc/29/91/56/258299156.db2.gz DNVJDHWDPLBXKW-CVEARBPZSA-N 2 2 373.505 1.367 10 0 FDAELP C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000103473631 172366447 /nfs/dbraw/zinc/36/64/47/172366447.db2.gz YLFVLHIGSMVSQF-VXGBXAGGSA-N 2 2 373.379 1.592 10 0 FDAELP C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000103473631 172366450 /nfs/dbraw/zinc/36/64/50/172366450.db2.gz YLFVLHIGSMVSQF-VXGBXAGGSA-N 2 2 373.379 1.592 10 0 FDAELP C[N@H+](C[C@H](O)COCc1ccccc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000175714667 174022440 /nfs/dbraw/zinc/02/24/40/174022440.db2.gz PQONKQXSVMCDLB-NRFANRHFSA-N 2 2 372.513 1.857 10 0 FDAELP C[N@@H+](C[C@H](O)COCc1ccccc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000175714667 174022442 /nfs/dbraw/zinc/02/24/42/174022442.db2.gz PQONKQXSVMCDLB-NRFANRHFSA-N 2 2 372.513 1.857 10 0 FDAELP C[N@H+](CCCNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)Cc1ccccc1 ZINC000173769240 258309800 /nfs/dbraw/zinc/30/98/00/258309800.db2.gz PZKHLWUHOOXZNQ-IBGZPJMESA-N 2 2 360.502 1.625 10 0 FDAELP C[N@@H+](CCCNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)Cc1ccccc1 ZINC000173769240 258309801 /nfs/dbraw/zinc/30/98/01/258309801.db2.gz PZKHLWUHOOXZNQ-IBGZPJMESA-N 2 2 360.502 1.625 10 0 FDAELP C[C@H](CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000173770160 258310575 /nfs/dbraw/zinc/31/05/75/258310575.db2.gz DHJHKYHTYSZYRS-YLJYHZDGSA-N 2 2 372.513 1.549 10 0 FDAELP C[C@H](CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)[N@H+]1CCc2ccccc2C1 ZINC000173770160 258310576 /nfs/dbraw/zinc/31/05/76/258310576.db2.gz DHJHKYHTYSZYRS-YLJYHZDGSA-N 2 2 372.513 1.549 10 0 FDAELP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cn1 ZINC000173784633 258311069 /nfs/dbraw/zinc/31/10/69/258311069.db2.gz MVURVDFGTQYEFZ-QGZVFWFLSA-N 2 2 370.457 1.192 10 0 FDAELP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)CC1 ZINC000179281863 258347637 /nfs/dbraw/zinc/34/76/37/258347637.db2.gz ZEIFSCJHUKKZEM-LPHOPBHVSA-N 2 2 352.523 1.349 10 0 FDAELP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)CC1 ZINC000179281856 258347784 /nfs/dbraw/zinc/34/77/84/258347784.db2.gz ZEIFSCJHUKKZEM-QFBILLFUSA-N 2 2 352.523 1.349 10 0 FDAELP C[C@H]1CN(C(=O)c2cccc3nccnc32)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000329681445 259106983 /nfs/dbraw/zinc/10/69/83/259106983.db2.gz RYLVGIXAGDLRIL-HNNXBMFYSA-N 2 2 353.470 1.870 10 0 FDAELP C[C@H]1CN(C(=O)c2cccc3nccnc32)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000329681445 259106984 /nfs/dbraw/zinc/10/69/84/259106984.db2.gz RYLVGIXAGDLRIL-HNNXBMFYSA-N 2 2 353.470 1.870 10 0 FDAELP [NH3+]C[C@H](O)CN1CC[NH+](C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000038794177 519636137 /nfs/dbraw/zinc/63/61/37/519636137.db2.gz GTOWJQGNDYKISO-IBGZPJMESA-N 2 2 361.436 1.991 10 0 FDAELP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H](c2cccs2)[NH+]2CCOCC2)C1 ZINC000052498632 523184855 /nfs/dbraw/zinc/18/48/55/523184855.db2.gz DNUYUABUPYSQGT-HOTGVXAUSA-N 2 2 366.531 1.905 10 0 FDAELP CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H](c2cccs2)[NH+]2CCOCC2)C1 ZINC000052498632 523184861 /nfs/dbraw/zinc/18/48/61/523184861.db2.gz DNUYUABUPYSQGT-HOTGVXAUSA-N 2 2 366.531 1.905 10 0 FDAELP CCC(CC)[C@H](CNC(=O)NC[C@H](C)[NH+]1CCOCC1)[NH+]1CCCC1 ZINC000079125174 523708073 /nfs/dbraw/zinc/70/80/73/523708073.db2.gz XKRPSWYWQYQYMD-WMZOPIPTSA-N 2 2 354.539 1.907 10 0 FDAELP Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000122786913 524616486 /nfs/dbraw/zinc/61/64/86/524616486.db2.gz QJNFVYVTAJGRGW-SFHVURJKSA-N 2 2 369.517 1.916 10 0 FDAELP Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000122786913 524616497 /nfs/dbraw/zinc/61/64/97/524616497.db2.gz QJNFVYVTAJGRGW-SFHVURJKSA-N 2 2 369.517 1.916 10 0 FDAELP COCC[N@@H+]1CCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)C[C@@H]1C ZINC000117479709 525344814 /nfs/dbraw/zinc/34/48/14/525344814.db2.gz JACPBZPYZBRWML-INIZCTEOSA-N 2 2 361.490 1.413 10 0 FDAELP COCC[N@H+]1CCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)C[C@@H]1C ZINC000117479709 525344825 /nfs/dbraw/zinc/34/48/25/525344825.db2.gz JACPBZPYZBRWML-INIZCTEOSA-N 2 2 361.490 1.413 10 0 FDAELP COCC[N@@H+]1CCN(C(=O)NCC[NH+]2CCc3sccc3C2)C[C@H]1C ZINC000117484203 525350436 /nfs/dbraw/zinc/35/04/36/525350436.db2.gz CGIPBEKLNTVVMK-OAHLLOKOSA-N 2 2 366.531 1.468 10 0 FDAELP COCC[N@H+]1CCN(C(=O)NCC[NH+]2CCc3sccc3C2)C[C@H]1C ZINC000117484203 525350445 /nfs/dbraw/zinc/35/04/45/525350445.db2.gz CGIPBEKLNTVVMK-OAHLLOKOSA-N 2 2 366.531 1.468 10 0 FDAELP COCC[NH+]1CCN(C(=O)NCC[N@@H+]2CCc3sccc3C2)C[C@H]1C ZINC000117484203 525350456 /nfs/dbraw/zinc/35/04/56/525350456.db2.gz CGIPBEKLNTVVMK-OAHLLOKOSA-N 2 2 366.531 1.468 10 0 FDAELP COCC[NH+]1CCN(C(=O)NCC[N@H+]2CCc3sccc3C2)C[C@H]1C ZINC000117484203 525350466 /nfs/dbraw/zinc/35/04/66/525350466.db2.gz CGIPBEKLNTVVMK-OAHLLOKOSA-N 2 2 366.531 1.468 10 0 FDAELP Cc1ccc([C@@H](CNC(=O)C2CC[NH+](C)CC2)[NH+]2CCOCC2)s1 ZINC000177969286 525365238 /nfs/dbraw/zinc/36/52/38/525365238.db2.gz YJLXJNTVIUVGAT-MRXNPFEDSA-N 2 2 351.516 1.888 10 0 FDAELP C[N@@H+]1CCO[C@H](CNC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000104785004 525435008 /nfs/dbraw/zinc/43/50/08/525435008.db2.gz OXWUSHVHWAXAJW-GOSISDBHSA-N 2 2 364.465 1.420 10 0 FDAELP C[N@H+]1CCO[C@H](CNC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000104785004 525435016 /nfs/dbraw/zinc/43/50/16/525435016.db2.gz OXWUSHVHWAXAJW-GOSISDBHSA-N 2 2 364.465 1.420 10 0 FDAELP C[N@@H+]1CCO[C@H](CNC(=O)C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000118115879 525459670 /nfs/dbraw/zinc/45/96/70/525459670.db2.gz MKUCDGOJPJZHCW-GOSISDBHSA-N 2 2 374.485 1.058 10 0 FDAELP C[N@H+]1CCO[C@H](CNC(=O)C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000118115879 525459680 /nfs/dbraw/zinc/45/96/80/525459680.db2.gz MKUCDGOJPJZHCW-GOSISDBHSA-N 2 2 374.485 1.058 10 0 FDAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](Cc3cccc(C(N)=O)c3)CC2)C1 ZINC000106121508 525612827 /nfs/dbraw/zinc/61/28/27/525612827.db2.gz LREMECUEJCBPPQ-LJQANCHMSA-N 2 2 360.502 1.012 10 0 FDAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](Cc3cccc(C(N)=O)c3)CC2)C1 ZINC000106121508 525612835 /nfs/dbraw/zinc/61/28/35/525612835.db2.gz LREMECUEJCBPPQ-LJQANCHMSA-N 2 2 360.502 1.012 10 0 FDAELP CCC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000106121765 525613973 /nfs/dbraw/zinc/61/39/73/525613973.db2.gz LYGALYPJALRVKR-IPMKNSEASA-N 2 2 368.566 1.407 10 0 FDAELP CCC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000106121765 525613981 /nfs/dbraw/zinc/61/39/81/525613981.db2.gz LYGALYPJALRVKR-IPMKNSEASA-N 2 2 368.566 1.407 10 0 FDAELP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H](C)[NH+]1CCOCC1)c1ccco1 ZINC000129097809 525615493 /nfs/dbraw/zinc/61/54/93/525615493.db2.gz YWNOKGGKQCAHJW-HZPDHXFCSA-N 2 2 352.479 1.682 10 0 FDAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+]([C@@H](C)C(=O)NC3CCCC3)CC2)C1 ZINC000106123368 525618724 /nfs/dbraw/zinc/61/87/24/525618724.db2.gz RVQBJWWYNRETEE-HKUYNNGSSA-N 2 2 366.550 1.161 10 0 FDAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+]([C@@H](C)C(=O)NC3CCCC3)CC2)C1 ZINC000106123368 525618735 /nfs/dbraw/zinc/61/87/35/525618735.db2.gz RVQBJWWYNRETEE-HKUYNNGSSA-N 2 2 366.550 1.161 10 0 FDAELP C[N@H+](CC(=O)NC(C1CC1)C1CC1)C1CC[NH+](CCn2cccn2)CC1 ZINC000106129237 525620444 /nfs/dbraw/zinc/62/04/44/525620444.db2.gz KPDIJSHEUOESKQ-UHFFFAOYSA-N 2 2 359.518 1.584 10 0 FDAELP C[N@@H+](CC(=O)NC(C1CC1)C1CC1)C1CC[NH+](CCn2cccn2)CC1 ZINC000106129237 525620451 /nfs/dbraw/zinc/62/04/51/525620451.db2.gz KPDIJSHEUOESKQ-UHFFFAOYSA-N 2 2 359.518 1.584 10 0 FDAELP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000106430230 525723507 /nfs/dbraw/zinc/72/35/07/525723507.db2.gz WOSVFISYDIPDPY-IBGZPJMESA-N 2 2 368.481 1.707 10 0 FDAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C(N)=O)c2ccc(F)cc2)nc[nH+]1 ZINC000107303875 525865588 /nfs/dbraw/zinc/86/55/88/525865588.db2.gz JBSWECWMOCNJQE-YOEHRIQHSA-N 2 2 358.421 1.442 10 0 FDAELP O=C(N[C@H](C[NH+]1CCOCC1)c1ccccc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171899243 526172840 /nfs/dbraw/zinc/17/28/40/526172840.db2.gz LYMLQZBELAEIFN-RTBURBONSA-N 2 2 358.486 1.550 10 0 FDAELP O=C(N[C@H](C[NH+]1CCOCC1)c1ccccc1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171899243 526172845 /nfs/dbraw/zinc/17/28/45/526172845.db2.gz LYMLQZBELAEIFN-RTBURBONSA-N 2 2 358.486 1.550 10 0 FDAELP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000120866172 526204798 /nfs/dbraw/zinc/20/47/98/526204798.db2.gz SRBXTIZTTBLERQ-GDBMZVCRSA-N 2 2 352.504 1.467 10 0 FDAELP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000120866172 526204804 /nfs/dbraw/zinc/20/48/04/526204804.db2.gz SRBXTIZTTBLERQ-GDBMZVCRSA-N 2 2 352.504 1.467 10 0 FDAELP C[C@H](CNC(=O)Nc1ccccc1OCCn1cc[nH+]c1)[NH+]1CCOCC1 ZINC000110069420 526219088 /nfs/dbraw/zinc/21/90/88/526219088.db2.gz CETYGHVTVKYJHQ-MRXNPFEDSA-N 2 2 373.457 1.804 10 0 FDAELP Cc1[nH+]ccn1-c1ccc(CNc2cc(N3CCC[C@H]3CO)nc[nH+]2)cn1 ZINC000110253029 526232327 /nfs/dbraw/zinc/23/23/27/526232327.db2.gz SUQMIQDBKMBETA-INIZCTEOSA-N 2 2 365.441 1.939 10 0 FDAELP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000183397634 535972970 /nfs/dbraw/zinc/97/29/70/535972970.db2.gz FSKSVDKGWHHZED-CTNGQTDRSA-N 2 2 361.530 1.805 10 0 FDAELP CCCC[N@@H+]1CCOC[C@@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000184189721 536111478 /nfs/dbraw/zinc/11/14/78/536111478.db2.gz PCGLTBJCDDVMNO-LJQANCHMSA-N 2 2 360.502 1.878 10 0 FDAELP CCCC[N@H+]1CCOC[C@@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000184189721 536111482 /nfs/dbraw/zinc/11/14/82/536111482.db2.gz PCGLTBJCDDVMNO-LJQANCHMSA-N 2 2 360.502 1.878 10 0 FDAELP CNC(=O)[C@H](NC(=O)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C)c1ccccc1 ZINC000246990246 537064603 /nfs/dbraw/zinc/06/46/03/537064603.db2.gz KCNAZRRMLNTWIB-PKOBYXMFSA-N 2 2 369.469 1.259 10 0 FDAELP CNC(=O)[C@H](NC(=O)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C)c1ccccc1 ZINC000246990246 537064607 /nfs/dbraw/zinc/06/46/07/537064607.db2.gz KCNAZRRMLNTWIB-PKOBYXMFSA-N 2 2 369.469 1.259 10 0 FDAELP C[C@@H]1C(=O)NCCC[NH+]1Cc1ccccc1C[N@@H+]1CCCNC(=O)[C@H]1C ZINC000249068825 537226810 /nfs/dbraw/zinc/22/68/10/537226810.db2.gz QQHDVVWNALIAEH-HZPDHXFCSA-N 2 2 358.486 1.107 10 0 FDAELP C[C@@H]1C(=O)NCCC[NH+]1Cc1ccccc1C[N@H+]1CCCNC(=O)[C@H]1C ZINC000249068825 537226811 /nfs/dbraw/zinc/22/68/11/537226811.db2.gz QQHDVVWNALIAEH-HZPDHXFCSA-N 2 2 358.486 1.107 10 0 FDAELP C([NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)C1([NH+]2CCCCC2)CCOCC1 ZINC000261990165 537253662 /nfs/dbraw/zinc/25/36/62/537253662.db2.gz SOQIIILWBIFQLP-GUDVDZBRSA-N 3 2 351.535 1.768 10 0 FDAELP C[C@@H]1C[N@H+](CC(=O)Nc2cccc(I)c2)C[C@@H]1C[NH3+] ZINC000601325295 553376108 /nfs/dbraw/zinc/37/61/08/553376108.db2.gz CDTQKFTUVHUHJE-MNOVXSKESA-N 2 2 373.238 1.756 10 0 FDAELP C[C@@H]1C[N@@H+](CC(=O)Nc2cccc(I)c2)C[C@@H]1C[NH3+] ZINC000601325295 553376110 /nfs/dbraw/zinc/37/61/10/553376110.db2.gz CDTQKFTUVHUHJE-MNOVXSKESA-N 2 2 373.238 1.756 10 0 FDAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](C[C@@H]3CC4(CCC4)C(=O)O3)CC2)C1 ZINC000192002254 178082467 /nfs/dbraw/zinc/08/24/67/178082467.db2.gz KEKABKIQUOTIEJ-ZWKOTPCHSA-N 2 2 365.518 1.199 10 0 FDAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](C[C@@H]3CC4(CCC4)C(=O)O3)CC2)C1 ZINC000192002254 178082469 /nfs/dbraw/zinc/08/24/69/178082469.db2.gz KEKABKIQUOTIEJ-ZWKOTPCHSA-N 2 2 365.518 1.199 10 0 FDAELP C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000193525662 178167172 /nfs/dbraw/zinc/16/71/72/178167172.db2.gz PFGJCZBILPYFIT-RHSMWYFYSA-N 2 2 355.442 1.782 10 0 FDAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC(c3cc[nH]n3)CC2)C1 ZINC000195505791 178268067 /nfs/dbraw/zinc/26/80/67/178268067.db2.gz LITXDRQTULFHAF-QGZVFWFLSA-N 2 2 363.506 1.062 10 0 FDAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC(c3cc[nH]n3)CC2)C1 ZINC000195505791 178268068 /nfs/dbraw/zinc/26/80/68/178268068.db2.gz LITXDRQTULFHAF-QGZVFWFLSA-N 2 2 363.506 1.062 10 0 FDAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC(c3ccn[nH]3)CC2)C1 ZINC000195505791 178268070 /nfs/dbraw/zinc/26/80/70/178268070.db2.gz LITXDRQTULFHAF-QGZVFWFLSA-N 2 2 363.506 1.062 10 0 FDAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC(c3ccn[nH]3)CC2)C1 ZINC000195505791 178268072 /nfs/dbraw/zinc/26/80/72/178268072.db2.gz LITXDRQTULFHAF-QGZVFWFLSA-N 2 2 363.506 1.062 10 0 FDAELP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000237049449 178294789 /nfs/dbraw/zinc/29/47/89/178294789.db2.gz QBMDIDZUFVWZPG-WMLDXEAASA-N 2 2 364.465 1.073 10 0 FDAELP C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)C[C@H]1C ZINC000245928352 178391598 /nfs/dbraw/zinc/39/15/98/178391598.db2.gz ZKWKSDLCZRYZLC-CVEARBPZSA-N 2 2 357.458 1.469 10 0 FDAELP C[C@H](O)C[N@H+]1CCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)C[C@H]1C ZINC000245928352 178391601 /nfs/dbraw/zinc/39/16/01/178391601.db2.gz ZKWKSDLCZRYZLC-CVEARBPZSA-N 2 2 357.458 1.469 10 0 FDAELP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171646471 258266773 /nfs/dbraw/zinc/26/67/73/258266773.db2.gz HAVIHXXALNVULC-HUUCEWRRSA-N 2 2 367.453 1.942 10 0 FDAELP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171646471 258266774 /nfs/dbraw/zinc/26/67/74/258266774.db2.gz HAVIHXXALNVULC-HUUCEWRRSA-N 2 2 367.453 1.942 10 0 FDAELP O=C(C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)NC(=O)NC1CCCCC1 ZINC000171646758 258267376 /nfs/dbraw/zinc/26/73/76/258267376.db2.gz VPUSZIGGVHINMU-OAHLLOKOSA-N 2 2 359.474 1.974 10 0 FDAELP O=C(C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)NC(=O)NC1CCCCC1 ZINC000171646758 258267377 /nfs/dbraw/zinc/26/73/77/258267377.db2.gz VPUSZIGGVHINMU-OAHLLOKOSA-N 2 2 359.474 1.974 10 0 FDAELP O=C(C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)NC(=O)NCc1ccccc1 ZINC000171646714 258267389 /nfs/dbraw/zinc/26/73/89/258267389.db2.gz NBXKWHRWNQUCCL-QGZVFWFLSA-N 2 2 367.453 1.841 10 0 FDAELP O=C(C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)NC(=O)NCc1ccccc1 ZINC000171646714 258267390 /nfs/dbraw/zinc/26/73/90/258267390.db2.gz NBXKWHRWNQUCCL-QGZVFWFLSA-N 2 2 367.453 1.841 10 0 FDAELP Cn1nccc1C1CC[NH+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000092810468 172305907 /nfs/dbraw/zinc/30/59/07/172305907.db2.gz DESCITJCTWEDFM-UHFFFAOYSA-N 2 2 355.490 1.342 10 0 FDAELP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000092930267 172309512 /nfs/dbraw/zinc/30/95/12/172309512.db2.gz XMRDTFGBZNHAPM-GOEBONIOSA-N 2 2 359.474 1.927 10 0 FDAELP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000092930267 172309515 /nfs/dbraw/zinc/30/95/15/172309515.db2.gz XMRDTFGBZNHAPM-GOEBONIOSA-N 2 2 359.474 1.927 10 0 FDAELP C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000104797499 172386793 /nfs/dbraw/zinc/38/67/93/172386793.db2.gz MXHYLFQTDZAVQZ-SFHVURJKSA-N 2 2 364.465 1.374 10 0 FDAELP C[N@H+]1CCO[C@@H](CNC(=O)N2CCC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000104797499 172386796 /nfs/dbraw/zinc/38/67/96/172386796.db2.gz MXHYLFQTDZAVQZ-SFHVURJKSA-N 2 2 364.465 1.374 10 0 FDAELP C[NH+]1CCO[C@@H](CNC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)C1 ZINC000104797499 172386801 /nfs/dbraw/zinc/38/68/01/172386801.db2.gz MXHYLFQTDZAVQZ-SFHVURJKSA-N 2 2 364.465 1.374 10 0 FDAELP C[NH+]1CCO[C@@H](CNC(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)C1 ZINC000104797499 172386803 /nfs/dbraw/zinc/38/68/03/172386803.db2.gz MXHYLFQTDZAVQZ-SFHVURJKSA-N 2 2 364.465 1.374 10 0 FDAELP O=C(NC[C@H](c1ccccc1)[NH+]1CCOCC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105135775 172397239 /nfs/dbraw/zinc/39/72/39/172397239.db2.gz ZKVIIULEHMTDJK-WOJBJXKFSA-N 2 2 372.513 1.940 10 0 FDAELP O=C(NC[C@H](c1ccccc1)[NH+]1CCOCC1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000105135775 172397242 /nfs/dbraw/zinc/39/72/42/172397242.db2.gz ZKVIIULEHMTDJK-WOJBJXKFSA-N 2 2 372.513 1.940 10 0 FDAELP Cc1nn(C)c(N2CCOCC2)c1C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000128265016 173104884 /nfs/dbraw/zinc/10/48/84/173104884.db2.gz JGUHVBGYYIRXEC-QGZVFWFLSA-N 2 2 370.501 1.894 10 0 FDAELP Cc1nn(C)c(N2CCOCC2)c1C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000128265016 173104885 /nfs/dbraw/zinc/10/48/85/173104885.db2.gz JGUHVBGYYIRXEC-QGZVFWFLSA-N 2 2 370.501 1.894 10 0 FDAELP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](c2cccs2)[NH+]2CCO[C@H](C)C2)C1 ZINC000177975478 174166394 /nfs/dbraw/zinc/16/63/94/174166394.db2.gz VUPJDZJVTWHVEQ-PMPSAXMXSA-N 2 2 367.515 1.347 10 0 FDAELP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](c2cccs2)[NH+]2CCO[C@H](C)C2)C1 ZINC000177975478 174166396 /nfs/dbraw/zinc/16/63/96/174166396.db2.gz VUPJDZJVTWHVEQ-PMPSAXMXSA-N 2 2 367.515 1.347 10 0 FDAELP CC[NH+]1CCO[C@H](C(=O)NC[C@@H](c2cccs2)[N@@H+]2CCO[C@H](C)C2)C1 ZINC000177975478 174166398 /nfs/dbraw/zinc/16/63/98/174166398.db2.gz VUPJDZJVTWHVEQ-PMPSAXMXSA-N 2 2 367.515 1.347 10 0 FDAELP CC[NH+]1CCO[C@H](C(=O)NC[C@@H](c2cccs2)[N@H+]2CCO[C@H](C)C2)C1 ZINC000177975478 174166402 /nfs/dbraw/zinc/16/64/02/174166402.db2.gz VUPJDZJVTWHVEQ-PMPSAXMXSA-N 2 2 367.515 1.347 10 0 FDAELP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000179316445 258348746 /nfs/dbraw/zinc/34/87/46/258348746.db2.gz OIEKGLCEIOVTJG-GOSISDBHSA-N 3 2 362.522 1.392 10 0 FDAELP C[NH+](C)[C@H](CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)c1cccc(F)c1 ZINC000173785632 258311145 /nfs/dbraw/zinc/31/11/45/258311145.db2.gz TUGAGOZLFYMFCL-QZTJIDSGSA-N 2 2 364.465 1.545 10 0 FDAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)C(=O)NCc2ccccc2)nc[nH+]1 ZINC000174284842 258323075 /nfs/dbraw/zinc/32/30/75/258323075.db2.gz ZYORKYUYLOXMNP-RDJZCZTQSA-N 2 2 368.485 1.782 10 0 FDAELP Cc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[N@@H+]2C)[NH+]2CCOCC2)s1 ZINC000178606465 258329772 /nfs/dbraw/zinc/32/97/72/258329772.db2.gz RIABPFHELMLOMP-HOTGVXAUSA-N 2 2 366.531 1.823 10 0 FDAELP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000247257819 258398238 /nfs/dbraw/zinc/39/82/38/258398238.db2.gz XMRDTFGBZNHAPM-ZBFHGGJFSA-N 2 2 359.474 1.927 10 0 FDAELP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247257819 258398239 /nfs/dbraw/zinc/39/82/39/258398239.db2.gz XMRDTFGBZNHAPM-ZBFHGGJFSA-N 2 2 359.474 1.927 10 0 FDAELP Cc1nc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)c2c([nH+]1)CCCC2 ZINC000302035161 259038192 /nfs/dbraw/zinc/03/81/92/259038192.db2.gz FFJYCBZVNJBUMQ-SFHVURJKSA-N 2 2 373.545 1.895 10 0 FDAELP Cc1nc(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)c2c([nH+]1)CCCC2 ZINC000302035161 259038193 /nfs/dbraw/zinc/03/81/93/259038193.db2.gz FFJYCBZVNJBUMQ-SFHVURJKSA-N 2 2 373.545 1.895 10 0 FDAELP C[C@@H]1CN(C(=O)C[C@@H]2CCCCNC2=O)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000329395891 259093500 /nfs/dbraw/zinc/09/35/00/259093500.db2.gz VUXAPDSQXNMOBY-CVEARBPZSA-N 2 2 350.507 1.760 10 0 FDAELP C[NH+](C)[C@@H](CNC(=O)C1CC[NH+](CC(N)=O)CC1)c1ccccc1Cl ZINC000091425278 522007704 /nfs/dbraw/zinc/00/77/04/522007704.db2.gz OASBMRNPNUXZJY-INIZCTEOSA-N 2 2 366.893 1.256 10 0 FDAELP Cc1nc(C)c(C[NH+]2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)s1 ZINC000172791917 524273219 /nfs/dbraw/zinc/27/32/19/524273219.db2.gz ZGCGVYAODWOHHZ-QGZVFWFLSA-N 2 2 352.548 1.987 10 0 FDAELP Cc1nc(C)c(C[NH+]2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)s1 ZINC000172791917 524273227 /nfs/dbraw/zinc/27/32/27/524273227.db2.gz ZGCGVYAODWOHHZ-QGZVFWFLSA-N 2 2 352.548 1.987 10 0 FDAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](CC(=O)N3CCCC[C@H]3C)CC2)C1 ZINC000122706168 524598551 /nfs/dbraw/zinc/59/85/51/524598551.db2.gz KWWFXINVXAMHKP-MOPGFXCFSA-N 2 2 366.550 1.114 10 0 FDAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](CC(=O)N3CCCC[C@H]3C)CC2)C1 ZINC000122706168 524598558 /nfs/dbraw/zinc/59/85/58/524598558.db2.gz KWWFXINVXAMHKP-MOPGFXCFSA-N 2 2 366.550 1.114 10 0 FDAELP Cc1cccc(N2CC[NH+](CCC(=O)NC[C@H](C)[NH+]3CCOCC3)CC2)c1 ZINC000174590979 524638575 /nfs/dbraw/zinc/63/85/75/524638575.db2.gz KRDQFSYZFPYFJO-IBGZPJMESA-N 2 2 374.529 1.344 10 0 FDAELP OC[C@@H]1CCCN1c1cc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)nc[nH+]1 ZINC000123057574 524669279 /nfs/dbraw/zinc/66/92/79/524669279.db2.gz RZLOLULUSLPILC-RDJZCZTQSA-N 2 2 361.490 1.351 10 0 FDAELP OC[C@@H]1CCCN1c1cc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)[nH+]cn1 ZINC000123057574 524669287 /nfs/dbraw/zinc/66/92/87/524669287.db2.gz RZLOLULUSLPILC-RDJZCZTQSA-N 2 2 361.490 1.351 10 0 FDAELP CNc1cc(N2CCC[C@@H]2CNC(=O)NC[C@H](C)[N@H+](C)C2CC2)nc[nH+]1 ZINC000174735820 524715081 /nfs/dbraw/zinc/71/50/81/524715081.db2.gz AEKZNFBTVRUKJC-DZGCQCFKSA-N 2 2 361.494 1.269 10 0 FDAELP CNc1cc(N2CCC[C@@H]2CNC(=O)NC[C@H](C)[N@@H+](C)C2CC2)nc[nH+]1 ZINC000174735820 524715092 /nfs/dbraw/zinc/71/50/92/524715092.db2.gz AEKZNFBTVRUKJC-DZGCQCFKSA-N 2 2 361.494 1.269 10 0 FDAELP CNc1cc(N2CCC[C@@H]2CNC(=O)NC[C@H](C)[N@H+](C)C2CC2)[nH+]cn1 ZINC000174735820 524715099 /nfs/dbraw/zinc/71/50/99/524715099.db2.gz AEKZNFBTVRUKJC-DZGCQCFKSA-N 2 2 361.494 1.269 10 0 FDAELP CNc1cc(N2CCC[C@@H]2CNC(=O)NC[C@H](C)[N@@H+](C)C2CC2)[nH+]cn1 ZINC000174735820 524715109 /nfs/dbraw/zinc/71/51/09/524715109.db2.gz AEKZNFBTVRUKJC-DZGCQCFKSA-N 2 2 361.494 1.269 10 0 FDAELP C[C@H](CNC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCOCC1 ZINC000175003996 524831129 /nfs/dbraw/zinc/83/11/29/524831129.db2.gz VSOLERXALUVGFZ-UYAOXDASSA-N 2 2 374.529 1.871 10 0 FDAELP C[C@H](CNC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCOCC1 ZINC000175003996 524831141 /nfs/dbraw/zinc/83/11/41/524831141.db2.gz VSOLERXALUVGFZ-UYAOXDASSA-N 2 2 374.529 1.871 10 0 FDAELP C[N@H+](CCCO)C1CC[NH+](C[C@@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000115548817 525017970 /nfs/dbraw/zinc/01/79/70/525017970.db2.gz KOOWZIDDAUHMAJ-LJQANCHMSA-N 2 2 370.921 1.996 10 0 FDAELP C[N@@H+](CCCO)C1CC[NH+](C[C@@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000115548817 525017979 /nfs/dbraw/zinc/01/79/79/525017979.db2.gz KOOWZIDDAUHMAJ-LJQANCHMSA-N 2 2 370.921 1.996 10 0 FDAELP C[NH+](C)CCCOC1CCN(c2cc(N3CCC[C@H]3CO)nc[nH+]2)CC1 ZINC000176815736 525184295 /nfs/dbraw/zinc/18/42/95/525184295.db2.gz UAKFFKDTVWYADM-INIZCTEOSA-N 2 2 363.506 1.375 10 0 FDAELP C[NH+](C)CCCOC1CCN(c2cc(N3CCC[C@H]3CO)[nH+]cn2)CC1 ZINC000176815736 525184300 /nfs/dbraw/zinc/18/43/00/525184300.db2.gz UAKFFKDTVWYADM-INIZCTEOSA-N 2 2 363.506 1.375 10 0 FDAELP Cc1ccc([C@H](CNC(=O)NCCn2cc[nH+]c2)[NH+]2CCOCC2)s1 ZINC000176926601 525202731 /nfs/dbraw/zinc/20/27/31/525202731.db2.gz CKHFEJZVNLZICQ-HNNXBMFYSA-N 2 2 363.487 1.626 10 0 FDAELP C[C@H](CNC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)[NH+]1CCOCC1 ZINC000163954310 525464768 /nfs/dbraw/zinc/46/47/68/525464768.db2.gz CQKJQHOEYYLBJK-CVEARBPZSA-N 2 2 366.531 1.857 10 0 FDAELP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000178887597 525500090 /nfs/dbraw/zinc/50/00/90/525500090.db2.gz DEQOJNBTDIWRSN-FQEVSTJZSA-N 2 2 367.497 1.568 10 0 FDAELP COCCN1CC[N@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C[C@H]1C ZINC000106107244 525595871 /nfs/dbraw/zinc/59/58/71/525595871.db2.gz KZOPVMLFQGRRRU-QZTJIDSGSA-N 2 2 360.502 1.667 10 0 FDAELP COCCN1CC[N@@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C[C@H]1C ZINC000106107244 525595876 /nfs/dbraw/zinc/59/58/76/525595876.db2.gz KZOPVMLFQGRRRU-QZTJIDSGSA-N 2 2 360.502 1.667 10 0 FDAELP OC(C[NH+]1CCC(c2cc[nH]n2)CC1)C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000181794279 525935663 /nfs/dbraw/zinc/93/56/63/525935663.db2.gz XUUCDCSAMITEEP-UHFFFAOYSA-N 2 2 358.490 1.553 10 0 FDAELP COc1ccc(C[NH+]2CCN(C(=O)C[N@@H+]3CCS[C@H](C)C3)CC2)cc1 ZINC000171685779 526078666 /nfs/dbraw/zinc/07/86/66/526078666.db2.gz UHALQAQGMIUYCX-MRXNPFEDSA-N 2 2 363.527 1.777 10 0 FDAELP COc1ccc(C[NH+]2CCN(C(=O)C[N@H+]3CCS[C@H](C)C3)CC2)cc1 ZINC000171685779 526078674 /nfs/dbraw/zinc/07/86/74/526078674.db2.gz UHALQAQGMIUYCX-MRXNPFEDSA-N 2 2 363.527 1.777 10 0 FDAELP CC[C@@H]1CN(C(=O)NCCc2cn3ccccc3[nH+]2)CC[N@@H+]1C[C@@H](C)O ZINC000184779532 536182926 /nfs/dbraw/zinc/18/29/26/536182926.db2.gz UXXQHIHTYBGOSA-NVXWUHKLSA-N 2 2 359.474 1.363 10 0 FDAELP CC[C@@H]1CN(C(=O)NCCc2cn3ccccc3[nH+]2)CC[N@H+]1C[C@@H](C)O ZINC000184779532 536182929 /nfs/dbraw/zinc/18/29/29/536182929.db2.gz UXXQHIHTYBGOSA-NVXWUHKLSA-N 2 2 359.474 1.363 10 0 FDAELP Cn1cc(-c2cc(C[N@H+](C)C3CC[NH+](CCn4cccn4)CC3)on2)cn1 ZINC000184999202 536195428 /nfs/dbraw/zinc/19/54/28/536195428.db2.gz ULMLPUKTAUAYQN-UHFFFAOYSA-N 2 2 369.473 1.868 10 0 FDAELP Cn1cc(-c2cc(C[N@@H+](C)C3CC[NH+](CCn4cccn4)CC3)on2)cn1 ZINC000184999202 536195429 /nfs/dbraw/zinc/19/54/29/536195429.db2.gz ULMLPUKTAUAYQN-UHFFFAOYSA-N 2 2 369.473 1.868 10 0 FDAELP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000263308861 537014775 /nfs/dbraw/zinc/01/47/75/537014775.db2.gz YHQXNZWDMBRSET-MWLCHTKSSA-N 2 2 351.191 1.720 10 0 FDAELP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCc2cc[nH+]c(N3CCOCC3)c2)C1 ZINC000247282834 537102931 /nfs/dbraw/zinc/10/29/31/537102931.db2.gz KKDDGQMNXFJCER-DOTOQJQBSA-N 2 2 361.490 1.446 10 0 FDAELP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)NCc2cc[nH+]c(N3CCOCC3)c2)C1 ZINC000247282834 537102932 /nfs/dbraw/zinc/10/29/32/537102932.db2.gz KKDDGQMNXFJCER-DOTOQJQBSA-N 2 2 361.490 1.446 10 0 FDAELP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCc2ccc[nH+]c2N2CCOCC2)C1 ZINC000247275746 537103137 /nfs/dbraw/zinc/10/31/37/537103137.db2.gz KCKBNJFCIPKFHT-NVXWUHKLSA-N 2 2 361.490 1.446 10 0 FDAELP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NCc2ccc[nH+]c2N2CCOCC2)C1 ZINC000247275746 537103140 /nfs/dbraw/zinc/10/31/40/537103140.db2.gz KCKBNJFCIPKFHT-NVXWUHKLSA-N 2 2 361.490 1.446 10 0 FDAELP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000190080149 537136490 /nfs/dbraw/zinc/13/64/90/537136490.db2.gz YBSKHLSYZVQRPN-WMLDXEAASA-N 2 2 353.426 1.506 10 0 FDAELP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000190080149 537136493 /nfs/dbraw/zinc/13/64/93/537136493.db2.gz YBSKHLSYZVQRPN-WMLDXEAASA-N 2 2 353.426 1.506 10 0 FDAELP CC[C@H](C)NC(=O)[C@H](C)[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000247814413 537152890 /nfs/dbraw/zinc/15/28/90/537152890.db2.gz VWMZUQHBWTVLFC-BZSNNMDCSA-N 2 2 354.539 1.016 10 0 FDAELP CC[C@H](C)NC(=O)[C@H](C)[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000247814413 537152893 /nfs/dbraw/zinc/15/28/93/537152893.db2.gz VWMZUQHBWTVLFC-BZSNNMDCSA-N 2 2 354.539 1.016 10 0 FDAELP CCCn1nnnc1CN(Cc1[nH+]ccn1CC)[C@@H]1CC12CC[NH2+]CC2 ZINC000328608117 571324099 /nfs/dbraw/zinc/32/40/99/571324099.db2.gz YARHKQREWFCDSH-OAHLLOKOSA-N 2 2 358.494 1.444 10 0 FDAELP [NH3+][C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)Nc3cc[nH+]cc3)cc2)C1 ZINC000262158721 672737448 /nfs/dbraw/zinc/73/74/48/672737448.db2.gz MVMXYZBWWAQWJD-AWEZNQCLSA-N 2 2 360.439 1.446 10 0 FDAELP C[C@@H](CNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCOCC1 ZINC000194012939 178194156 /nfs/dbraw/zinc/19/41/56/178194156.db2.gz JZASLHQTINJYPC-HKUYNNGSSA-N 2 2 360.502 1.528 10 0 FDAELP C[C@@H](CNC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCOCC1 ZINC000194012939 178194158 /nfs/dbraw/zinc/19/41/58/178194158.db2.gz JZASLHQTINJYPC-HKUYNNGSSA-N 2 2 360.502 1.528 10 0 FDAELP [NH3+][C@H]1CC[C@H](C(=O)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)C1 ZINC000237889392 178336047 /nfs/dbraw/zinc/33/60/47/178336047.db2.gz YAEBRDRYMIVKIF-HOCLYGCPSA-N 2 2 351.878 1.990 10 0 FDAELP C[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000245545442 178366230 /nfs/dbraw/zinc/36/62/30/178366230.db2.gz VHNQEIJOWQTRSN-CVEARBPZSA-N 2 2 371.403 1.587 10 0 FDAELP C[NH+]1CCN(C(=O)C[N@H+]2C[C@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000245545442 178366231 /nfs/dbraw/zinc/36/62/31/178366231.db2.gz VHNQEIJOWQTRSN-CVEARBPZSA-N 2 2 371.403 1.587 10 0 FDAELP C[NH+](C)CCC[N@H+](C)[C@H]1CCCN(S(=O)(=O)c2cccc(F)c2)C1 ZINC000014968318 220137407 /nfs/dbraw/zinc/13/74/07/220137407.db2.gz POGVDANRFAAVSX-INIZCTEOSA-N 2 2 357.495 1.862 10 0 FDAELP C[NH+](C)CCC[N@@H+](C)[C@H]1CCCN(S(=O)(=O)c2cccc(F)c2)C1 ZINC000014968318 220137408 /nfs/dbraw/zinc/13/74/08/220137408.db2.gz POGVDANRFAAVSX-INIZCTEOSA-N 2 2 357.495 1.862 10 0 FDAELP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)NC(=O)NCC(F)(F)F)C2)[nH+]1 ZINC000171651190 258267213 /nfs/dbraw/zinc/26/72/13/258267213.db2.gz KKSACXBROKHNAC-LBPRGKRZSA-N 2 2 373.379 1.512 10 0 FDAELP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)C2)[nH+]1 ZINC000171651190 258267214 /nfs/dbraw/zinc/26/72/14/258267214.db2.gz KKSACXBROKHNAC-LBPRGKRZSA-N 2 2 373.379 1.512 10 0 FDAELP C[C@@H]1C[N@@H+](C2CCN(C(=O)NCCc3cn4ccccc4[nH+]3)CC2)CCO1 ZINC000079591627 172164361 /nfs/dbraw/zinc/16/43/61/172164361.db2.gz WWXIIYWBEITVRK-MRXNPFEDSA-N 2 2 371.485 1.772 10 0 FDAELP C[C@@H]1C[N@H+](C2CCN(C(=O)NCCc3cn4ccccc4[nH+]3)CC2)CCO1 ZINC000079591627 172164363 /nfs/dbraw/zinc/16/43/63/172164363.db2.gz WWXIIYWBEITVRK-MRXNPFEDSA-N 2 2 371.485 1.772 10 0 FDAELP C[N@@H+]1CCO[C@H](CNC(=O)NCC(C)(C)[NH+]2CCc3ccccc3C2)C1 ZINC000104779872 172385677 /nfs/dbraw/zinc/38/56/77/172385677.db2.gz NKSLQBXMUPCKTL-GOSISDBHSA-N 2 2 360.502 1.453 10 0 FDAELP C[N@H+]1CCO[C@H](CNC(=O)NCC(C)(C)[NH+]2CCc3ccccc3C2)C1 ZINC000104779872 172385678 /nfs/dbraw/zinc/38/56/78/172385678.db2.gz NKSLQBXMUPCKTL-GOSISDBHSA-N 2 2 360.502 1.453 10 0 FDAELP C[NH+]1CCO[C@H](CNC(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)C1 ZINC000104779872 172385680 /nfs/dbraw/zinc/38/56/80/172385680.db2.gz NKSLQBXMUPCKTL-GOSISDBHSA-N 2 2 360.502 1.453 10 0 FDAELP C[NH+]1CCO[C@H](CNC(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)C1 ZINC000104779872 172385682 /nfs/dbraw/zinc/38/56/82/172385682.db2.gz NKSLQBXMUPCKTL-GOSISDBHSA-N 2 2 360.502 1.453 10 0 FDAELP C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@@H]2CC[NH+](CCc3ccccc3)C2)C1 ZINC000104796531 172386875 /nfs/dbraw/zinc/38/68/75/172386875.db2.gz PUYBQFDGZGTDJC-OALUTQOASA-N 2 2 360.502 1.181 10 0 FDAELP C[N@H+]1CCO[C@@H](CNC(=O)NC[C@@H]2CC[NH+](CCc3ccccc3)C2)C1 ZINC000104796531 172386876 /nfs/dbraw/zinc/38/68/76/172386876.db2.gz PUYBQFDGZGTDJC-OALUTQOASA-N 2 2 360.502 1.181 10 0 FDAELP C[NH+]1CCO[C@@H](CNC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000104796531 172386878 /nfs/dbraw/zinc/38/68/78/172386878.db2.gz PUYBQFDGZGTDJC-OALUTQOASA-N 2 2 360.502 1.181 10 0 FDAELP C[NH+]1CCO[C@@H](CNC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000104796531 172386880 /nfs/dbraw/zinc/38/68/80/172386880.db2.gz PUYBQFDGZGTDJC-OALUTQOASA-N 2 2 360.502 1.181 10 0 FDAELP Cc1ccc([C@H](CNC(=O)NC[C@@H]2C[N@H+](C)CCO2)[NH+]2CCCC2)o1 ZINC000104794959 172387190 /nfs/dbraw/zinc/38/71/90/172387190.db2.gz OSYPOCGJLPVVSQ-CVEARBPZSA-N 2 2 350.463 1.355 10 0 FDAELP Cc1ccc([C@H](CNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)[NH+]2CCCC2)o1 ZINC000104794959 172387192 /nfs/dbraw/zinc/38/71/92/172387192.db2.gz OSYPOCGJLPVVSQ-CVEARBPZSA-N 2 2 350.463 1.355 10 0 FDAELP CC(C)[C@H](CNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)[NH+]1CCN(C)CC1 ZINC000105105903 172394778 /nfs/dbraw/zinc/39/47/78/172394778.db2.gz RNFUFGGBNKIVMW-MSOLQXFVSA-N 2 2 351.539 1.138 10 0 FDAELP CC(C)[C@H](CNC(=O)N1CC[N@H+]2CCCC[C@@H]2C1)[NH+]1CCN(C)CC1 ZINC000105105903 172394781 /nfs/dbraw/zinc/39/47/81/172394781.db2.gz RNFUFGGBNKIVMW-MSOLQXFVSA-N 2 2 351.539 1.138 10 0 FDAELP CC(C)[C@H](CNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)N1CC[NH+](C)CC1 ZINC000105105903 172394784 /nfs/dbraw/zinc/39/47/84/172394784.db2.gz RNFUFGGBNKIVMW-MSOLQXFVSA-N 2 2 351.539 1.138 10 0 FDAELP CC(C)[C@H](CNC(=O)N1CC[N@H+]2CCCC[C@@H]2C1)N1CC[NH+](C)CC1 ZINC000105105903 172394786 /nfs/dbraw/zinc/39/47/86/172394786.db2.gz RNFUFGGBNKIVMW-MSOLQXFVSA-N 2 2 351.539 1.138 10 0 FDAELP C[NH+]1CCO[C@H]([C@@H](NC[C@@H]2C[N@H+](C)CCO2)c2ccc(Cl)cc2)C1 ZINC000134768010 173331952 /nfs/dbraw/zinc/33/19/52/173331952.db2.gz KBWHHSPNERMCMV-SQNIBIBYSA-N 2 2 353.894 1.632 10 0 FDAELP C[NH+]1CCO[C@H]([C@@H](NC[C@@H]2C[N@@H+](C)CCO2)c2ccc(Cl)cc2)C1 ZINC000134768010 173331955 /nfs/dbraw/zinc/33/19/55/173331955.db2.gz KBWHHSPNERMCMV-SQNIBIBYSA-N 2 2 353.894 1.632 10 0 FDAELP C[NH+]1CCO[C@H](CN[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000134768010 173331957 /nfs/dbraw/zinc/33/19/57/173331957.db2.gz KBWHHSPNERMCMV-SQNIBIBYSA-N 2 2 353.894 1.632 10 0 FDAELP C[NH+]1CCO[C@H](CN[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000134768010 173331959 /nfs/dbraw/zinc/33/19/59/173331959.db2.gz KBWHHSPNERMCMV-SQNIBIBYSA-N 2 2 353.894 1.632 10 0 FDAELP O=C(C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000140358550 173375216 /nfs/dbraw/zinc/37/52/16/173375216.db2.gz MGDXDPMKCTYGHF-XLIONFOSSA-N 2 2 361.486 1.551 10 0 FDAELP O=C(C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000140358550 173375217 /nfs/dbraw/zinc/37/52/17/173375217.db2.gz MGDXDPMKCTYGHF-XLIONFOSSA-N 2 2 361.486 1.551 10 0 FDAELP O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000176503166 174074509 /nfs/dbraw/zinc/07/45/09/174074509.db2.gz WTMKTOPQKJPXDB-IBGZPJMESA-N 2 2 364.534 1.900 10 0 FDAELP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000177424260 174130028 /nfs/dbraw/zinc/13/00/28/174130028.db2.gz CIPUHEUJZFRTGR-SJLPKXTDSA-N 2 2 370.563 1.320 10 0 FDAELP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000177424260 174130030 /nfs/dbraw/zinc/13/00/30/174130030.db2.gz CIPUHEUJZFRTGR-SJLPKXTDSA-N 2 2 370.563 1.320 10 0 FDAELP CCC(CC)[C@H](C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1)[NH+]1CCOCC1 ZINC000173868686 258312932 /nfs/dbraw/zinc/31/29/32/258312932.db2.gz UBEPJJVXJVLFOV-QXAKKESOSA-N 2 2 367.534 1.303 10 0 FDAELP C[N@@H+]1CC[C@@H](NC(=O)NC[C@@H]2C[NH+](C)CCO2)[C@@H]1c1ccc(Cl)cc1 ZINC000245551631 258395617 /nfs/dbraw/zinc/39/56/17/258395617.db2.gz IYDPXDNJZPRUAZ-ZACQAIPSSA-N 2 2 366.893 1.715 10 0 FDAELP C[N@H+]1CC[C@@H](NC(=O)NC[C@@H]2C[NH+](C)CCO2)[C@@H]1c1ccc(Cl)cc1 ZINC000245551631 258395618 /nfs/dbraw/zinc/39/56/18/258395618.db2.gz IYDPXDNJZPRUAZ-ZACQAIPSSA-N 2 2 366.893 1.715 10 0 FDAELP C[NH+]1CC[C@@H](NC(=O)NC[C@@H]2C[N@H+](C)CCO2)[C@@H]1c1ccc(Cl)cc1 ZINC000245551631 258395619 /nfs/dbraw/zinc/39/56/19/258395619.db2.gz IYDPXDNJZPRUAZ-ZACQAIPSSA-N 2 2 366.893 1.715 10 0 FDAELP C[NH+]1CC[C@@H](NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)[C@@H]1c1ccc(Cl)cc1 ZINC000245551631 258395620 /nfs/dbraw/zinc/39/56/20/258395620.db2.gz IYDPXDNJZPRUAZ-ZACQAIPSSA-N 2 2 366.893 1.715 10 0 FDAELP [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC000333264834 259328016 /nfs/dbraw/zinc/32/80/16/259328016.db2.gz JJCBRLIBBRUXNI-QYZOEREBSA-N 2 2 365.518 1.232 10 0 FDAELP [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC000333264834 259328017 /nfs/dbraw/zinc/32/80/17/259328017.db2.gz JJCBRLIBBRUXNI-QYZOEREBSA-N 2 2 365.518 1.232 10 0 FDAELP C[C@H](CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)[NH+]1CCOCC1 ZINC000047777666 522600213 /nfs/dbraw/zinc/60/02/13/522600213.db2.gz WTUQCCLPTNCSDU-IAGOWNOFSA-N 2 2 364.490 1.827 10 0 FDAELP CC[N@@H+]1CCC[C@H](NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000051777733 523072702 /nfs/dbraw/zinc/07/27/02/523072702.db2.gz ABLUJDCYFMWMBN-KRWDZBQOSA-N 3 2 351.539 1.329 10 0 FDAELP CC[N@H+]1CCC[C@H](NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000051777733 523072713 /nfs/dbraw/zinc/07/27/13/523072713.db2.gz ABLUJDCYFMWMBN-KRWDZBQOSA-N 3 2 351.539 1.329 10 0 FDAELP COc1ccc(C[NH+]2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)cc1O ZINC000121042498 524133903 /nfs/dbraw/zinc/13/39/03/524133903.db2.gz SFOVFLCMFSBGMC-GOSISDBHSA-N 2 2 363.502 1.628 10 0 FDAELP COc1ccc(C[NH+]2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)cc1O ZINC000121042498 524133909 /nfs/dbraw/zinc/13/39/09/524133909.db2.gz SFOVFLCMFSBGMC-GOSISDBHSA-N 2 2 363.502 1.628 10 0 FDAELP CC(C)c1nnc(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)n1C ZINC000111241355 524233190 /nfs/dbraw/zinc/23/31/90/524233190.db2.gz MWNBUDAIPMFECA-UHFFFAOYSA-N 2 2 362.522 1.315 10 0 FDAELP Cc1nc(C)c(C[NH+]2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)s1 ZINC000172791923 524272092 /nfs/dbraw/zinc/27/20/92/524272092.db2.gz ZGCGVYAODWOHHZ-KRWDZBQOSA-N 2 2 352.548 1.987 10 0 FDAELP Cc1nc(C)c(C[NH+]2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)s1 ZINC000172791923 524272102 /nfs/dbraw/zinc/27/21/02/524272102.db2.gz ZGCGVYAODWOHHZ-KRWDZBQOSA-N 2 2 352.548 1.987 10 0 FDAELP CC[NH+](CC)[C@@H](C)CNC(=O)N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000087133746 524416111 /nfs/dbraw/zinc/41/61/11/524416111.db2.gz ZDDDYBSWDYCKCF-DLBZAZTESA-N 2 2 367.538 1.055 10 0 FDAELP CCC(CC)[C@H](C(=O)N1CC[N@H+](CCOC)[C@@H](CC)C1)[NH+]1CCOCC1 ZINC000173806894 524461610 /nfs/dbraw/zinc/46/16/10/524461610.db2.gz WHDKPQNXXYHMOA-RBUKOAKNSA-N 2 2 369.550 1.693 10 0 FDAELP CCC(CC)[C@H](C(=O)N1CC[N@@H+](CCOC)[C@@H](CC)C1)[NH+]1CCOCC1 ZINC000173806894 524461613 /nfs/dbraw/zinc/46/16/13/524461613.db2.gz WHDKPQNXXYHMOA-RBUKOAKNSA-N 2 2 369.550 1.693 10 0 FDAELP C[C@H](CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000173859920 524472632 /nfs/dbraw/zinc/47/26/32/524472632.db2.gz BMSLLFZPIQWLDL-IEBWSBKVSA-N 2 2 360.502 1.623 10 0 FDAELP C[C@H](CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000173859920 524472640 /nfs/dbraw/zinc/47/26/40/524472640.db2.gz BMSLLFZPIQWLDL-IEBWSBKVSA-N 2 2 360.502 1.623 10 0 FDAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](CC(=O)N3CCCC[C@@H]3C)CC2)C1 ZINC000122706003 524595447 /nfs/dbraw/zinc/59/54/47/524595447.db2.gz KWWFXINVXAMHKP-RBUKOAKNSA-N 2 2 366.550 1.114 10 0 FDAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](CC(=O)N3CCCC[C@@H]3C)CC2)C1 ZINC000122706003 524595457 /nfs/dbraw/zinc/59/54/57/524595457.db2.gz KWWFXINVXAMHKP-RBUKOAKNSA-N 2 2 366.550 1.114 10 0 FDAELP CNc1cc(N2CCC[C@H]2CNC(=O)NC[C@H](C)[N@H+](C)C2CC2)nc[nH+]1 ZINC000174735797 524716172 /nfs/dbraw/zinc/71/61/72/524716172.db2.gz AEKZNFBTVRUKJC-ZFWWWQNUSA-N 2 2 361.494 1.269 10 0 FDAELP CNc1cc(N2CCC[C@H]2CNC(=O)NC[C@H](C)[N@@H+](C)C2CC2)nc[nH+]1 ZINC000174735797 524716182 /nfs/dbraw/zinc/71/61/82/524716182.db2.gz AEKZNFBTVRUKJC-ZFWWWQNUSA-N 2 2 361.494 1.269 10 0 FDAELP CNc1cc(N2CCC[C@H]2CNC(=O)NC[C@H](C)[N@H+](C)C2CC2)[nH+]cn1 ZINC000174735797 524716193 /nfs/dbraw/zinc/71/61/93/524716193.db2.gz AEKZNFBTVRUKJC-ZFWWWQNUSA-N 2 2 361.494 1.269 10 0 FDAELP CNc1cc(N2CCC[C@H]2CNC(=O)NC[C@H](C)[N@@H+](C)C2CC2)[nH+]cn1 ZINC000174735797 524716203 /nfs/dbraw/zinc/71/62/03/524716203.db2.gz AEKZNFBTVRUKJC-ZFWWWQNUSA-N 2 2 361.494 1.269 10 0 FDAELP CNc1cc(N2CCC[C@@H]2CNC(=O)[C@H](C)[NH+]2CCCCCC2)nc[nH+]1 ZINC000174742454 524720477 /nfs/dbraw/zinc/72/04/77/524720477.db2.gz ICGMSSWCBWTWPV-JKSUJKDBSA-N 2 2 360.506 1.868 10 0 FDAELP CNc1cc(N2CCC[C@@H]2CNC(=O)[C@H](C)[NH+]2CCCCCC2)[nH+]cn1 ZINC000174742454 524720484 /nfs/dbraw/zinc/72/04/84/524720484.db2.gz ICGMSSWCBWTWPV-JKSUJKDBSA-N 2 2 360.506 1.868 10 0 FDAELP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114477533 524817937 /nfs/dbraw/zinc/81/79/37/524817937.db2.gz VUIIZLIFRWMQMF-RLLQIKCJSA-N 3 2 358.530 1.649 10 0 FDAELP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114477533 524817949 /nfs/dbraw/zinc/81/79/49/524817949.db2.gz VUIIZLIFRWMQMF-RLLQIKCJSA-N 3 2 358.530 1.649 10 0 FDAELP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CC[C@H](C[NH+](C)C)C1 ZINC000114477533 524817959 /nfs/dbraw/zinc/81/79/59/524817959.db2.gz VUIIZLIFRWMQMF-RLLQIKCJSA-N 3 2 358.530 1.649 10 0 FDAELP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CC[C@H](C[NH+](C)C)C1 ZINC000114477533 524817967 /nfs/dbraw/zinc/81/79/67/524817967.db2.gz VUIIZLIFRWMQMF-RLLQIKCJSA-N 3 2 358.530 1.649 10 0 FDAELP C[C@H](CNC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCOCC1 ZINC000175003958 524832013 /nfs/dbraw/zinc/83/20/13/524832013.db2.gz VSOLERXALUVGFZ-QUCCMNQESA-N 2 2 374.529 1.871 10 0 FDAELP C[C@H](CNC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCOCC1 ZINC000175003958 524832017 /nfs/dbraw/zinc/83/20/17/524832017.db2.gz VSOLERXALUVGFZ-QUCCMNQESA-N 2 2 374.529 1.871 10 0 FDAELP CC(C)n1cc[nH+]c1[C@H]1CCCN(C(=O)C2CC[NH+](CC(N)=O)CC2)C1 ZINC000095365788 525038344 /nfs/dbraw/zinc/03/83/44/525038344.db2.gz WTJSGUCYNXQTHI-INIZCTEOSA-N 2 2 361.490 1.367 10 0 FDAELP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)NCC[N@@H+](C)C(C)C)CC1 ZINC000115677522 525043253 /nfs/dbraw/zinc/04/32/53/525043253.db2.gz LBCGVEHLWFAILQ-UHFFFAOYSA-N 2 2 350.511 1.204 10 0 FDAELP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)NCC[N@H+](C)C(C)C)CC1 ZINC000115677522 525043260 /nfs/dbraw/zinc/04/32/60/525043260.db2.gz LBCGVEHLWFAILQ-UHFFFAOYSA-N 2 2 350.511 1.204 10 0 FDAELP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000115713802 525051889 /nfs/dbraw/zinc/05/18/89/525051889.db2.gz DFAHOIAYRDATAF-DAYGRLMNSA-N 2 2 361.534 1.942 10 0 FDAELP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000115713802 525051904 /nfs/dbraw/zinc/05/19/04/525051904.db2.gz DFAHOIAYRDATAF-DAYGRLMNSA-N 2 2 361.534 1.942 10 0 FDAELP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000115825168 525070917 /nfs/dbraw/zinc/07/09/17/525070917.db2.gz XFHOIFRUAPREEI-KRWDZBQOSA-N 2 2 362.522 1.206 10 0 FDAELP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000115825168 525070926 /nfs/dbraw/zinc/07/09/26/525070926.db2.gz XFHOIFRUAPREEI-KRWDZBQOSA-N 2 2 362.522 1.206 10 0 FDAELP C[C@H](CNC(=O)NCc1ccccc1OCC[NH+](C)C)[NH+]1CCOCC1 ZINC000125305388 525189548 /nfs/dbraw/zinc/18/95/48/525189548.db2.gz HGKONVKVIHWHKD-MRXNPFEDSA-N 2 2 364.490 1.147 10 0 FDAELP CCC[C@H]1CN(c2cc(N3CCC[C@@H]3CO)[nH+]cn2)CC[N@H+]1CCOC ZINC000162452939 525262443 /nfs/dbraw/zinc/26/24/43/525262443.db2.gz SHYQOANHJARENH-DLBZAZTESA-N 2 2 363.506 1.375 10 0 FDAELP COc1ccc(NC(=O)C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1 ZINC000106130696 525624994 /nfs/dbraw/zinc/62/49/94/525624994.db2.gz UXRDFWVFHFPCSJ-UHFFFAOYSA-N 2 2 371.485 1.927 10 0 FDAELP COc1ccc(NC(=O)C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1 ZINC000106130696 525625002 /nfs/dbraw/zinc/62/50/02/525625002.db2.gz UXRDFWVFHFPCSJ-UHFFFAOYSA-N 2 2 371.485 1.927 10 0 FDAELP C[NH+](C)[C@H](Cc1ccccc1)C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000106427934 525723593 /nfs/dbraw/zinc/72/35/93/525723593.db2.gz ZUVDHXQHKPNPEF-HXUWFJFHSA-N 2 2 352.482 1.899 10 0 FDAELP C[C@H]1C[N@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCS1 ZINC000171687409 526079259 /nfs/dbraw/zinc/07/92/59/526079259.db2.gz OAJJXQCUXCVAQM-INIZCTEOSA-N 2 2 355.548 1.575 10 0 FDAELP C[C@H]1C[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCS1 ZINC000171687409 526079268 /nfs/dbraw/zinc/07/92/68/526079268.db2.gz OAJJXQCUXCVAQM-INIZCTEOSA-N 2 2 355.548 1.575 10 0 FDAELP Cc1[nH+]ccn1-c1ccc(CNc2cc(N3CCC[C@@H]3CO)nc[nH+]2)cn1 ZINC000110253025 526232259 /nfs/dbraw/zinc/23/22/59/526232259.db2.gz SUQMIQDBKMBETA-MRXNPFEDSA-N 2 2 365.441 1.939 10 0 FDAELP Cn1cc[nH+]c1CN(C(=O)c1cccc2c1OCO2)[C@H]1CC12CC[NH2+]CC2 ZINC000262061156 527428906 /nfs/dbraw/zinc/42/89/06/527428906.db2.gz ZDUJODHNBTVLHV-INIZCTEOSA-N 2 2 368.437 1.933 10 0 FDAELP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)NCc2ccc[nH+]c2N(C)C)CC1 ZINC000184832443 536186435 /nfs/dbraw/zinc/18/64/35/536186435.db2.gz LEGQJHCDAITDFX-HNNXBMFYSA-N 2 2 363.506 1.382 10 0 FDAELP C[NH+]1CCN(c2ccnc(C(=O)N3CCN(c4cccc[nH+]4)CC3)c2)CC1 ZINC000085472848 536424796 /nfs/dbraw/zinc/42/47/96/536424796.db2.gz LQFRGCBOSHQVTN-UHFFFAOYSA-N 2 2 366.469 1.191 10 0 FDAELP O=C([C@@H](c1ccccc1)[NH+]1CCC(O)CC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246384588 536942579 /nfs/dbraw/zinc/94/25/79/536942579.db2.gz HWDGYOQOHGRHAX-AZUAARDMSA-N 2 2 357.498 1.881 10 0 FDAELP O=C([C@@H](c1ccccc1)[NH+]1CCC(O)CC1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000246384588 536942581 /nfs/dbraw/zinc/94/25/81/536942581.db2.gz HWDGYOQOHGRHAX-AZUAARDMSA-N 2 2 357.498 1.881 10 0 FDAELP CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000246432447 536953354 /nfs/dbraw/zinc/95/33/54/536953354.db2.gz SZUZMANWGAJXII-HUUCEWRRSA-N 2 2 363.510 1.517 10 0 FDAELP CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000246432447 536953358 /nfs/dbraw/zinc/95/33/58/536953358.db2.gz SZUZMANWGAJXII-HUUCEWRRSA-N 2 2 363.510 1.517 10 0 FDAELP CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000246432447 536953363 /nfs/dbraw/zinc/95/33/63/536953363.db2.gz SZUZMANWGAJXII-HUUCEWRRSA-N 2 2 363.510 1.517 10 0 FDAELP CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000246432447 536953364 /nfs/dbraw/zinc/95/33/64/536953364.db2.gz SZUZMANWGAJXII-HUUCEWRRSA-N 2 2 363.510 1.517 10 0 FDAELP C[N@@H+]1CCO[C@H](CNC(=O)NC[C@H]2CC[NH+](CCc3ccccc3)C2)C1 ZINC000246462380 536959545 /nfs/dbraw/zinc/95/95/45/536959545.db2.gz PUYBQFDGZGTDJC-RTBURBONSA-N 2 2 360.502 1.181 10 0 FDAELP C[N@H+]1CCO[C@H](CNC(=O)NC[C@H]2CC[NH+](CCc3ccccc3)C2)C1 ZINC000246462380 536959549 /nfs/dbraw/zinc/95/95/49/536959549.db2.gz PUYBQFDGZGTDJC-RTBURBONSA-N 2 2 360.502 1.181 10 0 FDAELP C[NH+]1CCO[C@H](CNC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000246462380 536959552 /nfs/dbraw/zinc/95/95/52/536959552.db2.gz PUYBQFDGZGTDJC-RTBURBONSA-N 2 2 360.502 1.181 10 0 FDAELP C[NH+]1CCO[C@H](CNC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000246462380 536959557 /nfs/dbraw/zinc/95/95/57/536959557.db2.gz PUYBQFDGZGTDJC-RTBURBONSA-N 2 2 360.502 1.181 10 0 FDAELP CCC(CC)[C@H](C(=O)N1CC[N@H+](CCOC)[C@@H](C)C1)[NH+]1CCOCC1 ZINC000246732010 537014721 /nfs/dbraw/zinc/01/47/21/537014721.db2.gz MJACOMMBSFRGDS-FUHWJXTLSA-N 2 2 355.523 1.303 10 0 FDAELP CCC(CC)[C@H](C(=O)N1CC[N@@H+](CCOC)[C@@H](C)C1)[NH+]1CCOCC1 ZINC000246732010 537014723 /nfs/dbraw/zinc/01/47/23/537014723.db2.gz MJACOMMBSFRGDS-FUHWJXTLSA-N 2 2 355.523 1.303 10 0 FDAELP C[C@@H]1C[N@@H+]([C@H](CNC(=O)C2CC[NH+](C)CC2)c2cccs2)CCO1 ZINC000246889952 537045401 /nfs/dbraw/zinc/04/54/01/537045401.db2.gz NBJAYBTYAARFIW-GDBMZVCRSA-N 2 2 351.516 1.968 10 0 FDAELP C[C@@H]1C[N@H+]([C@H](CNC(=O)C2CC[NH+](C)CC2)c2cccs2)CCO1 ZINC000246889952 537045403 /nfs/dbraw/zinc/04/54/03/537045403.db2.gz NBJAYBTYAARFIW-GDBMZVCRSA-N 2 2 351.516 1.968 10 0 FDAELP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)C[C@@H]1[NH+]1CCOCC1 ZINC000246937931 537054888 /nfs/dbraw/zinc/05/48/88/537054888.db2.gz JVHRZHJMJPTDMK-RLLQIKCJSA-N 2 2 357.498 1.830 10 0 FDAELP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)C[C@@H]1[NH+]1CCOCC1 ZINC000246937931 537054891 /nfs/dbraw/zinc/05/48/91/537054891.db2.gz JVHRZHJMJPTDMK-RLLQIKCJSA-N 2 2 357.498 1.830 10 0 FDAELP CC[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC[N@@H+]1CCOC ZINC000247128810 537084774 /nfs/dbraw/zinc/08/47/74/537084774.db2.gz OJZJPHPOZPBDHF-MKXGPGLRSA-N 2 2 369.550 1.689 10 0 FDAELP CC[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC[N@H+]1CCOC ZINC000247128810 537084777 /nfs/dbraw/zinc/08/47/77/537084777.db2.gz OJZJPHPOZPBDHF-MKXGPGLRSA-N 2 2 369.550 1.689 10 0 FDAELP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCc2cc[nH+]c(N3CCOCC3)c2)C1 ZINC000247282843 537102657 /nfs/dbraw/zinc/10/26/57/537102657.db2.gz KKDDGQMNXFJCER-NVXWUHKLSA-N 2 2 361.490 1.446 10 0 FDAELP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NCc2cc[nH+]c(N3CCOCC3)c2)C1 ZINC000247282843 537102659 /nfs/dbraw/zinc/10/26/59/537102659.db2.gz KKDDGQMNXFJCER-NVXWUHKLSA-N 2 2 361.490 1.446 10 0 FDAELP CCOCC[N@@H+]1CCN(C(=O)NC[C@H](C)C[NH+]2CCOCC2)C[C@@H]1CC ZINC000247343747 537110878 /nfs/dbraw/zinc/11/08/78/537110878.db2.gz KOGKCSUPQPRIPD-ROUUACIJSA-N 2 2 370.538 1.097 10 0 FDAELP CCOCC[N@H+]1CCN(C(=O)NC[C@H](C)C[NH+]2CCOCC2)C[C@@H]1CC ZINC000247343747 537110881 /nfs/dbraw/zinc/11/08/81/537110881.db2.gz KOGKCSUPQPRIPD-ROUUACIJSA-N 2 2 370.538 1.097 10 0 FDAELP C[C@H]([NH2+]CC(=O)NCC(=O)OC(C)(C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189903393 537112426 /nfs/dbraw/zinc/11/24/26/537112426.db2.gz UYCYLFSEJJOHFN-AWEZNQCLSA-N 2 2 358.442 1.981 10 0 FDAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](C[C@@H](O)c3ccccc3F)CC2)C1 ZINC000247813223 537152968 /nfs/dbraw/zinc/15/29/68/537152968.db2.gz VMTLCCBMQVCLBY-YLJYHZDGSA-N 2 2 365.493 1.586 10 0 FDAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](C[C@@H](O)c3ccccc3F)CC2)C1 ZINC000247813223 537152970 /nfs/dbraw/zinc/15/29/70/537152970.db2.gz VMTLCCBMQVCLBY-YLJYHZDGSA-N 2 2 365.493 1.586 10 0 FDAELP CC[C@@H]1CN(C(=O)NCc2[nH+]ccn2CC(C)C)CC[N@@H+]1C[C@H](C)O ZINC000248492572 537188030 /nfs/dbraw/zinc/18/80/30/537188030.db2.gz ORHZLIZIHOYGHM-JKSUJKDBSA-N 2 2 351.495 1.526 10 0 FDAELP CC[C@@H]1CN(C(=O)NCc2[nH+]ccn2CC(C)C)CC[N@H+]1C[C@H](C)O ZINC000248492572 537188032 /nfs/dbraw/zinc/18/80/32/537188032.db2.gz ORHZLIZIHOYGHM-JKSUJKDBSA-N 2 2 351.495 1.526 10 0 FDAELP CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248640252 537199431 /nfs/dbraw/zinc/19/94/31/537199431.db2.gz BQHGXLHFMJOBLP-WBVHZDCISA-N 2 2 361.490 1.458 10 0 FDAELP CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248640252 537199434 /nfs/dbraw/zinc/19/94/34/537199434.db2.gz BQHGXLHFMJOBLP-WBVHZDCISA-N 2 2 361.490 1.458 10 0 FDAELP CC(C)NC(=O)NC(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248640252 537199436 /nfs/dbraw/zinc/19/94/36/537199436.db2.gz BQHGXLHFMJOBLP-WBVHZDCISA-N 2 2 361.490 1.458 10 0 FDAELP CC[N@H+](CCCNC(=O)N1CC[NH+](C[C@@H](C)O)[C@@H](C)C1)c1ccccc1 ZINC000248666393 537202883 /nfs/dbraw/zinc/20/28/83/537202883.db2.gz WQZQKTQEGKIQKV-ZWKOTPCHSA-N 2 2 362.518 2.000 10 0 FDAELP CC[N@@H+](CCCNC(=O)N1CC[NH+](C[C@@H](C)O)[C@@H](C)C1)c1ccccc1 ZINC000248666393 537202884 /nfs/dbraw/zinc/20/28/84/537202884.db2.gz WQZQKTQEGKIQKV-ZWKOTPCHSA-N 2 2 362.518 2.000 10 0 FDAELP CC[NH+](CCCNC(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1)c1ccccc1 ZINC000248666393 537202886 /nfs/dbraw/zinc/20/28/86/537202886.db2.gz WQZQKTQEGKIQKV-ZWKOTPCHSA-N 2 2 362.518 2.000 10 0 FDAELP CC[NH+](CCCNC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1)c1ccccc1 ZINC000248666393 537202887 /nfs/dbraw/zinc/20/28/87/537202887.db2.gz WQZQKTQEGKIQKV-ZWKOTPCHSA-N 2 2 362.518 2.000 10 0 FDAELP C([NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)C1([NH+]2CCCCC2)CCOCC1 ZINC000261990168 537253414 /nfs/dbraw/zinc/25/34/14/537253414.db2.gz SOQIIILWBIFQLP-IPMKNSEASA-N 3 2 351.535 1.768 10 0 FDAELP CCS(=O)(=O)NCC[N@@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195258324 537381014 /nfs/dbraw/zinc/38/10/14/537381014.db2.gz RGRWXGZPHMBHPL-CQSZACIVSA-N 2 2 360.549 1.145 10 0 FDAELP CCS(=O)(=O)NCC[N@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195258324 537381023 /nfs/dbraw/zinc/38/10/23/537381023.db2.gz RGRWXGZPHMBHPL-CQSZACIVSA-N 2 2 360.549 1.145 10 0 FDAELP CCS(=O)(=O)NCC[NH+]1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195258324 537381029 /nfs/dbraw/zinc/38/10/29/537381029.db2.gz RGRWXGZPHMBHPL-CQSZACIVSA-N 2 2 360.549 1.145 10 0 FDAELP CCS(=O)(=O)NCC[NH+]1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000195258324 537381034 /nfs/dbraw/zinc/38/10/34/537381034.db2.gz RGRWXGZPHMBHPL-CQSZACIVSA-N 2 2 360.549 1.145 10 0 FDAELP C[C@H]1C[N@H+](CCS(=O)(=O)c2ccc(Br)cc2)C[C@@H]1C[NH3+] ZINC000631843540 558050428 /nfs/dbraw/zinc/05/04/28/558050428.db2.gz OZUJNSGYZKEXTO-RYUDHWBXSA-N 2 2 361.305 1.749 10 0 FDAELP C[C@H]1C[N@@H+](CCS(=O)(=O)c2ccc(Br)cc2)C[C@@H]1C[NH3+] ZINC000631843540 558050429 /nfs/dbraw/zinc/05/04/29/558050429.db2.gz OZUJNSGYZKEXTO-RYUDHWBXSA-N 2 2 361.305 1.749 10 0 FDAELP CO[C@H]1C[C@@H](C[NH+](C)C)N(c2cc(N(C)Cc3c[nH]nc3C)[nH+]cn2)C1 ZINC000685941295 571100828 /nfs/dbraw/zinc/10/08/28/571100828.db2.gz CCAJAWVGGDGGHA-HOTGVXAUSA-N 2 2 359.478 1.300 10 0 FDAELP C[NH+]1CCN(c2cnn([C@@H]3CCC[N@H+](Cc4ccncc4)C3)c(=O)c2)CC1 ZINC000328606445 571323935 /nfs/dbraw/zinc/32/39/35/571323935.db2.gz RPCHBPJBQKCSGE-GOSISDBHSA-N 2 2 368.485 1.227 10 0 FDAELP C[NH+]1CCN(c2cnn([C@@H]3CCC[N@@H+](Cc4ccncc4)C3)c(=O)c2)CC1 ZINC000328606445 571323936 /nfs/dbraw/zinc/32/39/36/571323936.db2.gz RPCHBPJBQKCSGE-GOSISDBHSA-N 2 2 368.485 1.227 10 0 FDAELP Cc1nnc([C@H]2CC[N@@H+](Cc3cccs3)C[C@H]2NC(=O)C[NH+](C)C)[nH]1 ZINC000169783703 672041558 /nfs/dbraw/zinc/04/15/58/672041558.db2.gz QRCWXTKNOPROJC-LSDHHAIUSA-N 2 2 362.503 1.211 10 0 FDAELP Cc1nnc([C@H]2CC[N@H+](Cc3cccs3)C[C@H]2NC(=O)C[NH+](C)C)[nH]1 ZINC000169783703 672041566 /nfs/dbraw/zinc/04/15/66/672041566.db2.gz QRCWXTKNOPROJC-LSDHHAIUSA-N 2 2 362.503 1.211 10 0 FDAELP CC[NH+]1CCN(C(=O)[C@H](C)N2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)CC1 ZINC000195285265 178253364 /nfs/dbraw/zinc/25/33/64/178253364.db2.gz RLJOLNFQFSTVMG-AZUAARDMSA-N 2 2 373.545 1.388 10 0 FDAELP CC[NH+]1CCN(C(=O)[C@H](C)N2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)CC1 ZINC000195285265 178253366 /nfs/dbraw/zinc/25/33/66/178253366.db2.gz RLJOLNFQFSTVMG-AZUAARDMSA-N 2 2 373.545 1.388 10 0 FDAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)CC1 ZINC000195285265 178253370 /nfs/dbraw/zinc/25/33/70/178253370.db2.gz RLJOLNFQFSTVMG-AZUAARDMSA-N 3 2 373.545 1.388 10 0 FDAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)CC1 ZINC000195285265 178253372 /nfs/dbraw/zinc/25/33/72/178253372.db2.gz RLJOLNFQFSTVMG-AZUAARDMSA-N 3 2 373.545 1.388 10 0 FDAELP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)CC1 ZINC000195285265 178253373 /nfs/dbraw/zinc/25/33/73/178253373.db2.gz RLJOLNFQFSTVMG-AZUAARDMSA-N 3 2 373.545 1.388 10 0 FDAELP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)CC1 ZINC000195285265 178253376 /nfs/dbraw/zinc/25/33/76/178253376.db2.gz RLJOLNFQFSTVMG-AZUAARDMSA-N 3 2 373.545 1.388 10 0 FDAELP CC[C@H](C)[C@H](NC(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)C(=O)OC ZINC000246068904 178398272 /nfs/dbraw/zinc/39/82/72/178398272.db2.gz BLJNPCQJTYZRNT-MPGHIAIKSA-N 2 2 362.474 1.519 10 0 FDAELP CC[C@H](C)[C@H](NC(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)C(=O)OC ZINC000246068904 178398274 /nfs/dbraw/zinc/39/82/74/178398274.db2.gz BLJNPCQJTYZRNT-MPGHIAIKSA-N 2 2 362.474 1.519 10 0 FDAELP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)NC(=O)NCc3ccco3)C2)[nH+]1 ZINC000171652463 258267638 /nfs/dbraw/zinc/26/76/38/258267638.db2.gz WDLWJGFDKOKWJL-OAHLLOKOSA-N 2 2 371.441 1.743 10 0 FDAELP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)NC(=O)NCc3ccco3)C2)[nH+]1 ZINC000171652463 258267639 /nfs/dbraw/zinc/26/76/39/258267639.db2.gz WDLWJGFDKOKWJL-OAHLLOKOSA-N 2 2 371.441 1.743 10 0 FDAELP C[C@H](NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000074173923 172075251 /nfs/dbraw/zinc/07/52/51/172075251.db2.gz OKYXSPQEGFMDDH-RDJZCZTQSA-N 2 2 369.469 1.460 10 0 FDAELP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1F ZINC000104792216 172386310 /nfs/dbraw/zinc/38/63/10/172386310.db2.gz OPKUIXHHOCFZRW-OAHLLOKOSA-N 2 2 361.421 1.450 10 0 FDAELP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1F ZINC000104792216 172386312 /nfs/dbraw/zinc/38/63/12/172386312.db2.gz OPKUIXHHOCFZRW-OAHLLOKOSA-N 2 2 361.421 1.450 10 0 FDAELP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000130883529 173182877 /nfs/dbraw/zinc/18/28/77/173182877.db2.gz LUOPQIIXDBWLIO-MSOLQXFVSA-N 2 2 352.523 1.471 10 0 FDAELP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000130883529 173182881 /nfs/dbraw/zinc/18/28/81/173182881.db2.gz LUOPQIIXDBWLIO-MSOLQXFVSA-N 2 2 352.523 1.471 10 0 FDAELP C[C@@H]1CN(C(=O)NCC[N@H+](C)Cc2ccccc2)C[C@H]1[NH+]1CCOCC1 ZINC000175710967 174021973 /nfs/dbraw/zinc/02/19/73/174021973.db2.gz YJKNGIXXYXVEEH-IEBWSBKVSA-N 2 2 360.502 1.481 10 0 FDAELP C[C@@H]1CN(C(=O)NCC[N@@H+](C)Cc2ccccc2)C[C@H]1[NH+]1CCOCC1 ZINC000175710967 174021974 /nfs/dbraw/zinc/02/19/74/174021974.db2.gz YJKNGIXXYXVEEH-IEBWSBKVSA-N 2 2 360.502 1.481 10 0 FDAELP C[C@@H]1CN(C(=O)NCc2ccccc2-n2cc[nH+]c2)C[C@H]1[NH+]1CCOCC1 ZINC000175715109 174022618 /nfs/dbraw/zinc/02/26/18/174022618.db2.gz ATNVCLOBPKZJAI-VQIMIIECSA-N 2 2 369.469 1.734 10 0 FDAELP CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)C1 ZINC000176981486 174098028 /nfs/dbraw/zinc/09/80/28/174098028.db2.gz MWIDAFXQONFICF-INIZCTEOSA-N 2 2 355.442 1.626 10 0 FDAELP CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)C1 ZINC000176981486 174098030 /nfs/dbraw/zinc/09/80/30/174098030.db2.gz MWIDAFXQONFICF-INIZCTEOSA-N 2 2 355.442 1.626 10 0 FDAELP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000177348162 174123315 /nfs/dbraw/zinc/12/33/15/174123315.db2.gz LMDJVNAVVSKZFC-KRWDZBQOSA-N 2 2 361.490 1.544 10 0 FDAELP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000177348162 174123317 /nfs/dbraw/zinc/12/33/17/174123317.db2.gz LMDJVNAVVSKZFC-KRWDZBQOSA-N 2 2 361.490 1.544 10 0 FDAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](Cc3ccc4c[nH]nc4c3)CC2)C1 ZINC000179514061 258352669 /nfs/dbraw/zinc/35/26/69/258352669.db2.gz XKIDGJWFVOLFDQ-IBGZPJMESA-N 2 2 357.502 1.790 10 0 FDAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](Cc3ccc4c[nH]nc4c3)CC2)C1 ZINC000179514061 258352670 /nfs/dbraw/zinc/35/26/70/258352670.db2.gz XKIDGJWFVOLFDQ-IBGZPJMESA-N 2 2 357.502 1.790 10 0 FDAELP O=C(NC1CC[NH+](Cc2ccccc2)CC1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173764953 258310135 /nfs/dbraw/zinc/31/01/35/258310135.db2.gz LPSKOMFAMXTGJZ-FQEVSTJZSA-N 2 2 372.513 1.767 10 0 FDAELP C[NH+](C)[C@@H](CNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)c1cccc(F)c1 ZINC000173785593 258311105 /nfs/dbraw/zinc/31/11/05/258311105.db2.gz TUGAGOZLFYMFCL-ROUUACIJSA-N 2 2 364.465 1.545 10 0 FDAELP Cc1ccc([C@@H](CNC(=O)NC[C@@H]2CCC[N@@H+]2C)[NH+]2CCOCC2)s1 ZINC000178606452 258329706 /nfs/dbraw/zinc/32/97/06/258329706.db2.gz RIABPFHELMLOMP-JKSUJKDBSA-N 2 2 366.531 1.823 10 0 FDAELP Cc1cnn([C@H]2CCCN(C(=O)NCC[NH+]3CCC([NH+](C)C)CC3)C2)c1 ZINC000179318563 258348691 /nfs/dbraw/zinc/34/86/91/258348691.db2.gz PALQCLZKLKJZKE-SFHVURJKSA-N 2 2 362.522 1.564 10 0 FDAELP CCOC(=O)C1CCC(O)(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000190914644 258390233 /nfs/dbraw/zinc/39/02/33/258390233.db2.gz MVGHTKADAQIQIU-MUYFXNHWSA-N 2 2 354.491 1.125 10 0 FDAELP CCOC(=O)C1CCC(O)(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000190914644 258390234 /nfs/dbraw/zinc/39/02/34/258390234.db2.gz MVGHTKADAQIQIU-MUYFXNHWSA-N 2 2 354.491 1.125 10 0 FDAELP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000333337480 259336793 /nfs/dbraw/zinc/33/67/93/259336793.db2.gz PFFJJRKHORAMMS-RHSMWYFYSA-N 2 2 360.458 1.496 10 0 FDAELP CC[N@H+](C[C@H](O)CN1CCCC1=O)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108475 523022615 /nfs/dbraw/zinc/02/26/15/523022615.db2.gz QYXZWRGDWRXGMX-SFHVURJKSA-N 2 2 360.502 1.603 10 0 FDAELP CC[N@@H+](C[C@H](O)CN1CCCC1=O)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108475 523022632 /nfs/dbraw/zinc/02/26/32/523022632.db2.gz QYXZWRGDWRXGMX-SFHVURJKSA-N 2 2 360.502 1.603 10 0 FDAELP C[NH+](C)Cc1ccc(N2CCN(C(=O)c3ccc4[nH+]ccn4c3)CC2)nc1 ZINC000172223096 524166462 /nfs/dbraw/zinc/16/64/62/524166462.db2.gz PGBDVKNYUSYFTJ-UHFFFAOYSA-N 2 2 364.453 1.753 10 0 FDAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2ccc[nH+]c2N2CCOCC2)C1 ZINC000157064297 524201982 /nfs/dbraw/zinc/20/19/82/524201982.db2.gz KCKBNJFCIPKFHT-WBVHZDCISA-N 2 2 361.490 1.446 10 0 FDAELP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2ccc[nH+]c2N2CCOCC2)C1 ZINC000157064297 524201994 /nfs/dbraw/zinc/20/19/94/524201994.db2.gz KCKBNJFCIPKFHT-WBVHZDCISA-N 2 2 361.490 1.446 10 0 FDAELP CCC(CC)[C@H](C(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](CC)C1)[NH+]1CCOCC1 ZINC000174618200 524654081 /nfs/dbraw/zinc/65/40/81/524654081.db2.gz HXGFDTKSPYLPEX-NZSAHSFTSA-N 2 2 369.550 1.427 10 0 FDAELP CCC(CC)[C@H](C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](CC)C1)[NH+]1CCOCC1 ZINC000174618200 524654088 /nfs/dbraw/zinc/65/40/88/524654088.db2.gz HXGFDTKSPYLPEX-NZSAHSFTSA-N 2 2 369.550 1.427 10 0 FDAELP CNc1cc(N2CCC[C@H]2CNC(=O)NC[C@@H](C)[N@H+](C)C2CC2)nc[nH+]1 ZINC000174735808 524715673 /nfs/dbraw/zinc/71/56/73/524715673.db2.gz AEKZNFBTVRUKJC-HIFRSBDPSA-N 2 2 361.494 1.269 10 0 FDAELP CNc1cc(N2CCC[C@H]2CNC(=O)NC[C@@H](C)[N@@H+](C)C2CC2)nc[nH+]1 ZINC000174735808 524715679 /nfs/dbraw/zinc/71/56/79/524715679.db2.gz AEKZNFBTVRUKJC-HIFRSBDPSA-N 2 2 361.494 1.269 10 0 FDAELP CNc1cc(N2CCC[C@H]2CNC(=O)NC[C@@H](C)[N@H+](C)C2CC2)[nH+]cn1 ZINC000174735808 524715684 /nfs/dbraw/zinc/71/56/84/524715684.db2.gz AEKZNFBTVRUKJC-HIFRSBDPSA-N 2 2 361.494 1.269 10 0 FDAELP CNc1cc(N2CCC[C@H]2CNC(=O)NC[C@@H](C)[N@@H+](C)C2CC2)[nH+]cn1 ZINC000174735808 524715687 /nfs/dbraw/zinc/71/56/87/524715687.db2.gz AEKZNFBTVRUKJC-HIFRSBDPSA-N 2 2 361.494 1.269 10 0 FDAELP CNc1cc(N2CCC[C@H]2CNC(=O)NCC2CC[NH+](C)CC2)nc[nH+]1 ZINC000174746898 524723388 /nfs/dbraw/zinc/72/33/88/524723388.db2.gz CHEOQCLAYODXNL-HNNXBMFYSA-N 2 2 361.494 1.128 10 0 FDAELP CNc1cc(N2CCC[C@H]2CNC(=O)NCC2CC[NH+](C)CC2)[nH+]cn1 ZINC000174746898 524723398 /nfs/dbraw/zinc/72/33/98/524723398.db2.gz CHEOQCLAYODXNL-HNNXBMFYSA-N 2 2 361.494 1.128 10 0 FDAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCCC[C@@H]2c2cn[nH]c2)C1 ZINC000114201587 524759111 /nfs/dbraw/zinc/75/91/11/524759111.db2.gz BAFRQKPZQPXUDM-QZTJIDSGSA-N 2 2 363.506 1.410 10 0 FDAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCCC[C@@H]2c2cn[nH]c2)C1 ZINC000114201587 524759123 /nfs/dbraw/zinc/75/91/23/524759123.db2.gz BAFRQKPZQPXUDM-QZTJIDSGSA-N 2 2 363.506 1.410 10 0 FDAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)C1 ZINC000114201587 524759132 /nfs/dbraw/zinc/75/91/32/524759132.db2.gz BAFRQKPZQPXUDM-QZTJIDSGSA-N 2 2 363.506 1.410 10 0 FDAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)C1 ZINC000114201587 524759141 /nfs/dbraw/zinc/75/91/41/524759141.db2.gz BAFRQKPZQPXUDM-QZTJIDSGSA-N 2 2 363.506 1.410 10 0 FDAELP CCOC(=O)N1CCC([NH2+]C[C@@H]2CCCN2c2cc(NC)[nH+]cn2)CC1 ZINC000152231714 524820422 /nfs/dbraw/zinc/82/04/22/524820422.db2.gz BHPVEUBCVDOBNK-HNNXBMFYSA-N 2 2 362.478 1.698 10 0 FDAELP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000116434181 525152590 /nfs/dbraw/zinc/15/25/90/525152590.db2.gz BVHMOWHMBLBNSE-VQIMIIECSA-N 2 2 360.502 1.842 10 0 FDAELP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000116434181 525152594 /nfs/dbraw/zinc/15/25/94/525152594.db2.gz BVHMOWHMBLBNSE-VQIMIIECSA-N 2 2 360.502 1.842 10 0 FDAELP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)CCO1 ZINC000116796773 525223343 /nfs/dbraw/zinc/22/33/43/525223343.db2.gz CULBWZRFSGOFEX-QZTJIDSGSA-N 2 2 363.527 1.566 10 0 FDAELP COCC[N@@H+]1CCN(C(=O)NCC[NH+]2CCc3ccccc3C2)C[C@H]1C ZINC000117477602 525346004 /nfs/dbraw/zinc/34/60/04/525346004.db2.gz IHFILBIHIXPZLI-QGZVFWFLSA-N 2 2 360.502 1.407 10 0 FDAELP COCC[N@H+]1CCN(C(=O)NCC[NH+]2CCc3ccccc3C2)C[C@H]1C ZINC000117477602 525346011 /nfs/dbraw/zinc/34/60/11/525346011.db2.gz IHFILBIHIXPZLI-QGZVFWFLSA-N 2 2 360.502 1.407 10 0 FDAELP COCC[NH+]1CCN(C(=O)NCC[N@@H+]2CCc3ccccc3C2)C[C@H]1C ZINC000117477602 525346019 /nfs/dbraw/zinc/34/60/19/525346019.db2.gz IHFILBIHIXPZLI-QGZVFWFLSA-N 2 2 360.502 1.407 10 0 FDAELP COCC[NH+]1CCN(C(=O)NCC[N@H+]2CCc3ccccc3C2)C[C@H]1C ZINC000117477602 525346025 /nfs/dbraw/zinc/34/60/25/525346025.db2.gz IHFILBIHIXPZLI-QGZVFWFLSA-N 2 2 360.502 1.407 10 0 FDAELP C[NH+](C)CCN(CCCc1ccccc1)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000105279877 525485537 /nfs/dbraw/zinc/48/55/37/525485537.db2.gz QHBOIZGXCJATRA-LJQANCHMSA-N 2 2 362.518 1.523 10 0 FDAELP C[NH+](C)CCN(CCCc1ccccc1)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000105279877 525485543 /nfs/dbraw/zinc/48/55/43/525485543.db2.gz QHBOIZGXCJATRA-LJQANCHMSA-N 2 2 362.518 1.523 10 0 FDAELP C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[NH+](CC3CCCCC3)CC2)C1 ZINC000105278998 525485660 /nfs/dbraw/zinc/48/56/60/525485660.db2.gz PECXMHMCBIVUNC-GOSISDBHSA-N 2 2 352.523 1.615 10 0 FDAELP C[N@H+]1CCO[C@H](CNC(=O)N2CCC[NH+](CC3CCCCC3)CC2)C1 ZINC000105278998 525485668 /nfs/dbraw/zinc/48/56/68/525485668.db2.gz PECXMHMCBIVUNC-GOSISDBHSA-N 2 2 352.523 1.615 10 0 FDAELP C[NH+]1CCO[C@H](CNC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)C1 ZINC000105278998 525485677 /nfs/dbraw/zinc/48/56/77/525485677.db2.gz PECXMHMCBIVUNC-GOSISDBHSA-N 2 2 352.523 1.615 10 0 FDAELP C[NH+]1CCO[C@H](CNC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)C1 ZINC000105278998 525485687 /nfs/dbraw/zinc/48/56/87/525485687.db2.gz PECXMHMCBIVUNC-GOSISDBHSA-N 2 2 352.523 1.615 10 0 FDAELP CCCCNC(=O)[C@H](C)[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000106121929 525616871 /nfs/dbraw/zinc/61/68/71/525616871.db2.gz DSXUIIXQRCVCHJ-ROUUACIJSA-N 2 2 354.539 1.018 10 0 FDAELP CCCCNC(=O)[C@H](C)[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000106121929 525616881 /nfs/dbraw/zinc/61/68/81/525616881.db2.gz DSXUIIXQRCVCHJ-ROUUACIJSA-N 2 2 354.539 1.018 10 0 FDAELP CCOC(=O)CCCNC(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000106216159 525673945 /nfs/dbraw/zinc/67/39/45/525673945.db2.gz CPDMUBVHJSHTHB-OAHLLOKOSA-N 2 2 350.463 1.542 10 0 FDAELP CCOC(=O)CCCNC(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000106216159 525673950 /nfs/dbraw/zinc/67/39/50/525673950.db2.gz CPDMUBVHJSHTHB-OAHLLOKOSA-N 2 2 350.463 1.542 10 0 FDAELP CC(=O)N1CCN(C(=O)C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000180668328 525739476 /nfs/dbraw/zinc/73/94/76/525739476.db2.gz FXDQQUDJXCPAKO-HNNXBMFYSA-N 2 2 355.442 1.214 10 0 FDAELP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)NCCc2cn3ccccc3[nH+]2)CC1 ZINC000184779299 536182978 /nfs/dbraw/zinc/18/29/78/536182978.db2.gz JAVUJVYTGOXSBF-MRXNPFEDSA-N 2 2 373.501 1.611 10 0 FDAELP CC[C@@H](O)C[NH+]1CCN(C(=O)NCc2ccc(N(CC)CC)[nH+]c2)CC1 ZINC000184812966 536185573 /nfs/dbraw/zinc/18/55/73/536185573.db2.gz LZCYISPLRNJJSI-QGZVFWFLSA-N 2 2 363.506 1.526 10 0 FDAELP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000184858053 536188180 /nfs/dbraw/zinc/18/81/80/536188180.db2.gz DIMXGKWMARFRIH-INIZCTEOSA-N 2 2 363.506 1.618 10 0 FDAELP CC[C@H]1CN(C(=O)NCc2ccccc2-n2cc[nH+]c2)CC[N@@H+]1C[C@@H](C)O ZINC000184953649 536193724 /nfs/dbraw/zinc/19/37/24/536193724.db2.gz BJSSTNLWOGFVQU-AEFFLSMTSA-N 2 2 371.485 1.859 10 0 FDAELP CC[C@H]1CN(C(=O)NCc2ccccc2-n2cc[nH+]c2)CC[N@H+]1C[C@@H](C)O ZINC000184953649 536193725 /nfs/dbraw/zinc/19/37/25/536193725.db2.gz BJSSTNLWOGFVQU-AEFFLSMTSA-N 2 2 371.485 1.859 10 0 FDAELP Cc1nc(N2CCN(C(=O)[C@H](Cc3ccccc3)[NH+](C)C)CC2)cc[nH+]1 ZINC000185425748 536208094 /nfs/dbraw/zinc/20/80/94/536208094.db2.gz ACXNGKZNZSCLDZ-SFHVURJKSA-N 2 2 353.470 1.607 10 0 FDAELP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)C[C@@H](C)O1 ZINC000246347961 536933033 /nfs/dbraw/zinc/93/30/33/536933033.db2.gz CTHARXRVGJFQEK-ZACQAIPSSA-N 2 2 352.523 1.754 10 0 FDAELP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CC[N@H+]3CCCC[C@H]3C2)C[C@@H](C)O1 ZINC000246347961 536933036 /nfs/dbraw/zinc/93/30/36/536933036.db2.gz CTHARXRVGJFQEK-ZACQAIPSSA-N 2 2 352.523 1.754 10 0 FDAELP C[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)[NH+]1CCOCC1 ZINC000246748375 537017633 /nfs/dbraw/zinc/01/76/33/537017633.db2.gz XGGXHUNRNPQIKN-SOLBZPMBSA-N 2 2 350.507 1.365 10 0 FDAELP C[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)[NH+]1CCOCC1 ZINC000246748375 537017637 /nfs/dbraw/zinc/01/76/37/537017637.db2.gz XGGXHUNRNPQIKN-SOLBZPMBSA-N 2 2 350.507 1.365 10 0 FDAELP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)C[C@H]1[NH+]1CCOCC1 ZINC000247234404 537098552 /nfs/dbraw/zinc/09/85/52/537098552.db2.gz XGGHNJVWVKITEJ-MISYRCLQSA-N 2 2 373.497 1.067 10 0 FDAELP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C[C@H]1[NH+]1CCOCC1 ZINC000247234404 537098559 /nfs/dbraw/zinc/09/85/59/537098559.db2.gz XGGHNJVWVKITEJ-MISYRCLQSA-N 2 2 373.497 1.067 10 0 FDAELP COCCN1CC[N@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C[C@@H]1C ZINC000247601363 537140191 /nfs/dbraw/zinc/14/01/91/537140191.db2.gz KZOPVMLFQGRRRU-ROUUACIJSA-N 2 2 360.502 1.667 10 0 FDAELP COCCN1CC[N@@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C[C@@H]1C ZINC000247601363 537140192 /nfs/dbraw/zinc/14/01/92/537140192.db2.gz KZOPVMLFQGRRRU-ROUUACIJSA-N 2 2 360.502 1.667 10 0 FDAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](c2ncc[nH]2)c2cccnc2)nc[nH+]1 ZINC000248817258 537213623 /nfs/dbraw/zinc/21/36/23/537213623.db2.gz ARSDARIMIJITKY-MAUKXSAKSA-N 2 2 364.457 1.984 10 0 FDAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@H](O)COC2CCOCC2)C1 ZINC000195295906 537390780 /nfs/dbraw/zinc/39/07/80/537390780.db2.gz ZLRJYPQNTIXBTD-OALUTQOASA-N 2 2 363.502 1.392 10 0 FDAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@H](O)COC2CCOCC2)C1 ZINC000195295906 537390788 /nfs/dbraw/zinc/39/07/88/537390788.db2.gz ZLRJYPQNTIXBTD-OALUTQOASA-N 2 2 363.502 1.392 10 0 FDAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](C[C@H](O)COC2CCOCC2)C1 ZINC000195295906 537390795 /nfs/dbraw/zinc/39/07/95/537390795.db2.gz ZLRJYPQNTIXBTD-OALUTQOASA-N 2 2 363.502 1.392 10 0 FDAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](C[C@H](O)COC2CCOCC2)C1 ZINC000195295906 537390803 /nfs/dbraw/zinc/39/08/03/537390803.db2.gz ZLRJYPQNTIXBTD-OALUTQOASA-N 2 2 363.502 1.392 10 0 FDAELP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccc(F)cc2)C[C@@H]1C ZINC000245415982 537656772 /nfs/dbraw/zinc/65/67/72/537656772.db2.gz HGIISAHFYHWWMJ-BXWFABGCSA-N 2 2 363.477 1.704 10 0 FDAELP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccc(F)cc2)C[C@@H]1C ZINC000245415982 537656779 /nfs/dbraw/zinc/65/67/79/537656779.db2.gz HGIISAHFYHWWMJ-BXWFABGCSA-N 2 2 363.477 1.704 10 0 FDAELP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)C[C@@H]1C ZINC000245415982 537656783 /nfs/dbraw/zinc/65/67/83/537656783.db2.gz HGIISAHFYHWWMJ-BXWFABGCSA-N 2 2 363.477 1.704 10 0 FDAELP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)C[C@@H]1C ZINC000245415982 537656787 /nfs/dbraw/zinc/65/67/87/537656787.db2.gz HGIISAHFYHWWMJ-BXWFABGCSA-N 2 2 363.477 1.704 10 0 FDAELP CCN1C(=O)CC[C@H](C(=O)NCC2=CC[N@H+](C)CC2)[C@H]1c1[nH+]ccn1C ZINC000613267894 554906691 /nfs/dbraw/zinc/90/66/91/554906691.db2.gz UZDYDVAHKDLBAQ-RDJZCZTQSA-N 2 2 359.474 1.098 10 0 FDAELP CCN1C(=O)CC[C@H](C(=O)NCC2=CC[N@@H+](C)CC2)[C@H]1c1[nH+]ccn1C ZINC000613267894 554906693 /nfs/dbraw/zinc/90/66/93/554906693.db2.gz UZDYDVAHKDLBAQ-RDJZCZTQSA-N 2 2 359.474 1.098 10 0 FDAELP CS(=O)(=O)Cc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261884115 672688270 /nfs/dbraw/zinc/68/82/70/672688270.db2.gz FSNCBTZAPVZVRI-KURKYZTESA-N 2 2 352.500 1.478 10 0 FDAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](CCCN2C(=O)CNC2=O)C1 ZINC000195252053 178250476 /nfs/dbraw/zinc/25/04/76/178250476.db2.gz HALUQBCZLXMICB-CQSZACIVSA-N 2 2 365.503 1.147 10 0 FDAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](CCCN2C(=O)CNC2=O)C1 ZINC000195252053 178250477 /nfs/dbraw/zinc/25/04/77/178250477.db2.gz HALUQBCZLXMICB-CQSZACIVSA-N 2 2 365.503 1.147 10 0 FDAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](CCCN2C(=O)CNC2=O)C1 ZINC000195252053 178250479 /nfs/dbraw/zinc/25/04/79/178250479.db2.gz HALUQBCZLXMICB-CQSZACIVSA-N 2 2 365.503 1.147 10 0 FDAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](CCCN2C(=O)CNC2=O)C1 ZINC000195252053 178250481 /nfs/dbraw/zinc/25/04/81/178250481.db2.gz HALUQBCZLXMICB-CQSZACIVSA-N 2 2 365.503 1.147 10 0 FDAELP CCC(CC)[C@H](C(=O)N1CC[C@H]([NH+]2CCOCC2)C1)[NH+]1CCOCC1 ZINC000172765398 258284206 /nfs/dbraw/zinc/28/42/06/258284206.db2.gz ZHOYNJOCWDXAQI-ZWKOTPCHSA-N 2 2 353.507 1.057 10 0 FDAELP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000173345693 258296817 /nfs/dbraw/zinc/29/68/17/258296817.db2.gz RCRPVVQBBYGJRK-DOTOQJQBSA-N 2 2 369.531 1.434 10 0 FDAELP C[C@H](CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)[NH+]1CCOCC1 ZINC000071913341 172040514 /nfs/dbraw/zinc/04/05/14/172040514.db2.gz QOFCSQWHBKITKE-CVEARBPZSA-N 2 2 366.531 1.905 10 0 FDAELP CCc1nc2n(n1)CCC[C@H]2NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000088754612 172235975 /nfs/dbraw/zinc/23/59/75/172235975.db2.gz JPPAPDCVVRLKOE-OAHLLOKOSA-N 2 2 363.510 1.001 10 0 FDAELP C[N@@H+]1CCO[C@H](CNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000104799201 172387013 /nfs/dbraw/zinc/38/70/13/172387013.db2.gz XVINOJOULUWLRP-LJQANCHMSA-N 2 2 360.502 1.802 10 0 FDAELP C[N@H+]1CCO[C@H](CNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000104799201 172387014 /nfs/dbraw/zinc/38/70/14/172387014.db2.gz XVINOJOULUWLRP-LJQANCHMSA-N 2 2 360.502 1.802 10 0 FDAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000131502956 173205299 /nfs/dbraw/zinc/20/52/99/173205299.db2.gz OTWRPBMPURUHPR-HOTGVXAUSA-N 2 2 354.520 1.754 10 0 FDAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000131502956 173205300 /nfs/dbraw/zinc/20/53/00/173205300.db2.gz OTWRPBMPURUHPR-HOTGVXAUSA-N 2 2 354.520 1.754 10 0 FDAELP C[C@@H]1CN(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)C[C@H]1[NH+]1CCOCC1 ZINC000177297195 174119794 /nfs/dbraw/zinc/11/97/94/174119794.db2.gz NNBWYMRAGUKSNK-OWCLPIDISA-N 2 2 366.531 1.713 10 0 FDAELP O=C([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177812929 174158486 /nfs/dbraw/zinc/15/84/86/174158486.db2.gz NJNWIBMNJAWMKA-MOPGFXCFSA-N 2 2 354.454 1.775 10 0 FDAELP O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177812929 174158488 /nfs/dbraw/zinc/15/84/88/174158488.db2.gz NJNWIBMNJAWMKA-MOPGFXCFSA-N 2 2 354.454 1.775 10 0 FDAELP C[C@H]([NH2+]CC(=O)NC(=O)NCC(F)(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000180676517 258372660 /nfs/dbraw/zinc/37/26/60/258372660.db2.gz HDTUVIIATFFBHI-NSHDSACASA-N 2 2 369.347 1.911 10 0 FDAELP CNc1cc(N2CCC[C@H]2CNC(=O)NC2CC[NH+](C3CC3)CC2)nc[nH+]1 ZINC000173642382 258305727 /nfs/dbraw/zinc/30/57/27/258305727.db2.gz ADIDGMPRJYXGCS-INIZCTEOSA-N 2 2 373.505 1.413 10 0 FDAELP CNc1cc(N2CCC[C@H]2CNC(=O)NC2CC[NH+](C3CC3)CC2)[nH+]cn1 ZINC000173642382 258305728 /nfs/dbraw/zinc/30/57/28/258305728.db2.gz ADIDGMPRJYXGCS-INIZCTEOSA-N 2 2 373.505 1.413 10 0 FDAELP O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173773883 258310230 /nfs/dbraw/zinc/31/02/30/258310230.db2.gz DNIUOSVATGDOPU-PMACEKPBSA-N 2 2 372.513 1.940 10 0 FDAELP CC(C)[C@@H](CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)[NH+]1CCC(C)CC1 ZINC000173776804 258310263 /nfs/dbraw/zinc/31/02/63/258310263.db2.gz FHYPGSHITUDHEY-RTBURBONSA-N 2 2 366.550 1.859 10 0 FDAELP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000173785472 258310985 /nfs/dbraw/zinc/31/09/85/258310985.db2.gz ASXFXDNBCWSEBF-OTWHNJEPSA-N 2 2 366.550 1.861 10 0 FDAELP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000173785472 258310986 /nfs/dbraw/zinc/31/09/86/258310986.db2.gz ASXFXDNBCWSEBF-OTWHNJEPSA-N 2 2 366.550 1.861 10 0 FDAELP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)c1ccco1 ZINC000173906255 258314280 /nfs/dbraw/zinc/31/42/80/258314280.db2.gz ZICKCYNBPCFWTL-DLBZAZTESA-N 2 2 364.490 1.779 10 0 FDAELP CNc1cc(N2CCC[C@H]2CNC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)nc[nH+]1 ZINC000173961538 258315789 /nfs/dbraw/zinc/31/57/89/258315789.db2.gz BDZUVCIDTFWCAT-HOCLYGCPSA-N 2 2 373.505 1.271 10 0 FDAELP CNc1cc(N2CCC[C@H]2CNC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)nc[nH+]1 ZINC000173961538 258315790 /nfs/dbraw/zinc/31/57/90/258315790.db2.gz BDZUVCIDTFWCAT-HOCLYGCPSA-N 2 2 373.505 1.271 10 0 FDAELP CNc1cc(N2CCC[C@H]2CNC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)[nH+]cn1 ZINC000173961538 258315791 /nfs/dbraw/zinc/31/57/91/258315791.db2.gz BDZUVCIDTFWCAT-HOCLYGCPSA-N 2 2 373.505 1.271 10 0 FDAELP CNc1cc(N2CCC[C@H]2CNC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)[nH+]cn1 ZINC000173961538 258315792 /nfs/dbraw/zinc/31/57/92/258315792.db2.gz BDZUVCIDTFWCAT-HOCLYGCPSA-N 2 2 373.505 1.271 10 0 FDAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)C(=O)NCC(F)(F)F)nc[nH+]1 ZINC000174283870 258322692 /nfs/dbraw/zinc/32/26/92/258322692.db2.gz FKNMOALLDCPDGF-QWRGUYRKSA-N 2 2 360.384 1.144 10 0 FDAELP CC(C)N1CCC[C@H]([NH+]2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)C1=O ZINC000248366392 258399764 /nfs/dbraw/zinc/39/97/64/258399764.db2.gz SAONRVGMDFKKKI-MOPGFXCFSA-N 2 2 366.550 1.113 10 0 FDAELP CC(C)N1CCC[C@H]([NH+]2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)C1=O ZINC000248366392 258399765 /nfs/dbraw/zinc/39/97/65/258399765.db2.gz SAONRVGMDFKKKI-MOPGFXCFSA-N 2 2 366.550 1.113 10 0 FDAELP OC[C@@H]1CCCN1c1cc(NC2CC[NH+](C[C@H]3CCOC3)CC2)nc[nH+]1 ZINC000301288716 259025020 /nfs/dbraw/zinc/02/50/20/259025020.db2.gz RZLOLULUSLPILC-WBVHZDCISA-N 2 2 361.490 1.351 10 0 FDAELP OC[C@@H]1CCCN1c1cc(NC2CC[NH+](C[C@H]3CCOC3)CC2)[nH+]cn1 ZINC000301288716 259025021 /nfs/dbraw/zinc/02/50/21/259025021.db2.gz RZLOLULUSLPILC-WBVHZDCISA-N 2 2 361.490 1.351 10 0 FDAELP Cc1nc2ccnn2c(C)c1C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000329113157 259077903 /nfs/dbraw/zinc/07/79/03/259077903.db2.gz RSVZDZCZLJBOOA-CQSZACIVSA-N 2 2 370.501 1.587 10 0 FDAELP Cc1nc2ccnn2c(C)c1C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000329113157 259077904 /nfs/dbraw/zinc/07/79/04/259077904.db2.gz RSVZDZCZLJBOOA-CQSZACIVSA-N 2 2 370.501 1.587 10 0 FDAELP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2S(=O)(=O)N2CCOCC2)CC[N@@H+]1C ZINC000329183380 259082611 /nfs/dbraw/zinc/08/26/11/259082611.db2.gz PHGWHNLHSGORGX-NVXWUHKLSA-N 2 2 367.515 1.280 10 0 FDAELP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2S(=O)(=O)N2CCOCC2)CC[N@H+]1C ZINC000329183380 259082612 /nfs/dbraw/zinc/08/26/12/259082612.db2.gz PHGWHNLHSGORGX-NVXWUHKLSA-N 2 2 367.515 1.280 10 0 FDAELP C[C@H]1CCN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)[C@@H](C[NH3+])C1 ZINC000333947752 259396678 /nfs/dbraw/zinc/39/66/78/259396678.db2.gz VUTNQDNDJRRDAB-MAUKXSAKSA-N 3 2 351.539 1.314 10 0 FDAELP Cc1c([C@H]2[C@H](C[NH2+]Cc3cccc4[nH+]ccn43)CC(=O)N2C)cnn1C ZINC000328632156 533959553 /nfs/dbraw/zinc/95/95/53/533959553.db2.gz RQYSHRFSHDABCI-IFXJQAMLSA-N 2 2 352.442 1.685 10 0 FDAELP C[C@H](CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[NH+]1CCOCC1 ZINC000061521189 522464306 /nfs/dbraw/zinc/46/43/06/522464306.db2.gz IEXWTJISBDGHFC-QGZVFWFLSA-N 2 2 360.502 1.802 10 0 FDAELP C[C@H](CNC(=O)NCC1([NH+]2CCOCC2)CCCCC1)[NH+]1CCOCC1 ZINC000047793325 522601488 /nfs/dbraw/zinc/60/14/88/522601488.db2.gz LZUIHNKNQRQQKT-QGZVFWFLSA-N 2 2 368.522 1.041 10 0 FDAELP C[NH+]1CCN(C(=O)c2ccc(N3CC[NH2+][C@@H](c4ccccc4)C3)nc2)CC1 ZINC000065256053 522796690 /nfs/dbraw/zinc/79/66/90/522796690.db2.gz QCFGTIZCEALVQE-LJQANCHMSA-N 2 2 365.481 1.620 10 0 FDAELP CC(=O)N[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000076709601 523173397 /nfs/dbraw/zinc/17/33/97/523173397.db2.gz VCHAUUGIQYLPTR-HXUWFJFHSA-N 2 2 372.513 1.499 10 0 FDAELP CC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000076709601 523173400 /nfs/dbraw/zinc/17/34/00/523173400.db2.gz VCHAUUGIQYLPTR-HXUWFJFHSA-N 2 2 372.513 1.499 10 0 FDAELP O=C(NCc1cn2c([nH+]1)CCCC2)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000077661227 523407385 /nfs/dbraw/zinc/40/73/85/523407385.db2.gz HDJGVUBLOXKBIK-OAHLLOKOSA-N 2 2 361.490 1.520 10 0 FDAELP C[C@H](C(=O)NC[C@H]1C[N@H+](C)CCO1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000110673431 524119275 /nfs/dbraw/zinc/11/92/75/524119275.db2.gz RRULMVLSNCJQBM-XLIONFOSSA-N 2 2 359.514 1.776 10 0 FDAELP C[C@H](C(=O)NC[C@H]1C[N@@H+](C)CCO1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000110673431 524119282 /nfs/dbraw/zinc/11/92/82/524119282.db2.gz RRULMVLSNCJQBM-XLIONFOSSA-N 2 2 359.514 1.776 10 0 FDAELP C[C@H](C(=O)NC[C@@H]1C[N@H+](C)CCO1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000110673423 524120160 /nfs/dbraw/zinc/12/01/60/524120160.db2.gz RRULMVLSNCJQBM-YLJYHZDGSA-N 2 2 359.514 1.776 10 0 FDAELP C[C@H](C(=O)NC[C@@H]1C[N@@H+](C)CCO1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000110673423 524120170 /nfs/dbraw/zinc/12/01/70/524120170.db2.gz RRULMVLSNCJQBM-YLJYHZDGSA-N 2 2 359.514 1.776 10 0 FDAELP CCOCC[N@@H+]1CCN(C(=O)NCC[NH+]2CCOCC2(C)C)C[C@@H]1CC ZINC000172133431 524129076 /nfs/dbraw/zinc/12/90/76/524129076.db2.gz VKZAUXNFVQPDDP-KRWDZBQOSA-N 2 2 370.538 1.240 10 0 FDAELP CCOCC[N@H+]1CCN(C(=O)NCC[NH+]2CCOCC2(C)C)C[C@@H]1CC ZINC000172133431 524129081 /nfs/dbraw/zinc/12/90/81/524129081.db2.gz VKZAUXNFVQPDDP-KRWDZBQOSA-N 2 2 370.538 1.240 10 0 FDAELP CCOCC[NH+]1CCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)C[C@@H]1CC ZINC000172133431 524129087 /nfs/dbraw/zinc/12/90/87/524129087.db2.gz VKZAUXNFVQPDDP-KRWDZBQOSA-N 2 2 370.538 1.240 10 0 FDAELP CCOCC[NH+]1CCN(C(=O)NCC[N@H+]2CCOCC2(C)C)C[C@@H]1CC ZINC000172133431 524129092 /nfs/dbraw/zinc/12/90/92/524129092.db2.gz VKZAUXNFVQPDDP-KRWDZBQOSA-N 2 2 370.538 1.240 10 0 FDAELP CNc1cc(N2CCC[C@@H]2CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)nc[nH+]1 ZINC000173432373 524385564 /nfs/dbraw/zinc/38/55/64/524385564.db2.gz SZOSWDSTAYBVFH-VQIMIIECSA-N 2 2 368.485 1.906 10 0 FDAELP CNc1cc(N2CCC[C@@H]2CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)[nH+]cn1 ZINC000173432373 524385568 /nfs/dbraw/zinc/38/55/68/524385568.db2.gz SZOSWDSTAYBVFH-VQIMIIECSA-N 2 2 368.485 1.906 10 0 FDAELP CNc1cc(N2CCC[C@H]2CNC(=O)c2cccc(C[NH+](C)C)c2)nc[nH+]1 ZINC000174745441 524720916 /nfs/dbraw/zinc/72/09/16/524720916.db2.gz JVMSKBRVMBVEHL-KRWDZBQOSA-N 2 2 368.485 1.979 10 0 FDAELP CNc1cc(N2CCC[C@H]2CNC(=O)c2cccc(C[NH+](C)C)c2)[nH+]cn1 ZINC000174745441 524720926 /nfs/dbraw/zinc/72/09/26/524720926.db2.gz JVMSKBRVMBVEHL-KRWDZBQOSA-N 2 2 368.485 1.979 10 0 FDAELP CNc1cc(N2CCC[C@@H]2CNC(=O)NC[C@@H]2CCC[N@H+](C)C2)nc[nH+]1 ZINC000174806353 524745446 /nfs/dbraw/zinc/74/54/46/524745446.db2.gz VEWWNMMHDUPYKP-LSDHHAIUSA-N 2 2 361.494 1.128 10 0 FDAELP CNc1cc(N2CCC[C@@H]2CNC(=O)NC[C@@H]2CCC[N@@H+](C)C2)nc[nH+]1 ZINC000174806353 524745455 /nfs/dbraw/zinc/74/54/55/524745455.db2.gz VEWWNMMHDUPYKP-LSDHHAIUSA-N 2 2 361.494 1.128 10 0 FDAELP CNc1cc(N2CCC[C@@H]2CNC(=O)NC[C@@H]2CCC[N@H+](C)C2)[nH+]cn1 ZINC000174806353 524745461 /nfs/dbraw/zinc/74/54/61/524745461.db2.gz VEWWNMMHDUPYKP-LSDHHAIUSA-N 2 2 361.494 1.128 10 0 FDAELP CNc1cc(N2CCC[C@@H]2CNC(=O)NC[C@@H]2CCC[N@@H+](C)C2)[nH+]cn1 ZINC000174806353 524745467 /nfs/dbraw/zinc/74/54/67/524745467.db2.gz VEWWNMMHDUPYKP-LSDHHAIUSA-N 2 2 361.494 1.128 10 0 FDAELP COCCCS(=O)(=O)NCC[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000175252700 524920198 /nfs/dbraw/zinc/92/01/98/524920198.db2.gz FLXWNIFSUMSVBC-INIZCTEOSA-N 2 2 370.519 1.080 10 0 FDAELP COCCCS(=O)(=O)NCC[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000175252700 524920208 /nfs/dbraw/zinc/92/02/08/524920208.db2.gz FLXWNIFSUMSVBC-INIZCTEOSA-N 2 2 370.519 1.080 10 0 FDAELP C[C@H](CNC(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1)[N@H+](C)C1CC1 ZINC000117045899 525277352 /nfs/dbraw/zinc/27/73/52/525277352.db2.gz SYXFMCBPOOZJOZ-VQIMIIECSA-N 2 2 360.502 1.530 10 0 FDAELP C[C@H](CNC(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1)[N@@H+](C)C1CC1 ZINC000117045899 525277360 /nfs/dbraw/zinc/27/73/60/525277360.db2.gz SYXFMCBPOOZJOZ-VQIMIIECSA-N 2 2 360.502 1.530 10 0 FDAELP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000105281119 525486245 /nfs/dbraw/zinc/48/62/45/525486245.db2.gz AZFLPIHPCZELQV-QGZVFWFLSA-N 2 2 352.454 1.230 10 0 FDAELP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000105281119 525486255 /nfs/dbraw/zinc/48/62/55/525486255.db2.gz AZFLPIHPCZELQV-QGZVFWFLSA-N 2 2 352.454 1.230 10 0 FDAELP COCCN1CC[N@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C[C@H]1C ZINC000106107248 525596906 /nfs/dbraw/zinc/59/69/06/525596906.db2.gz KZOPVMLFQGRRRU-MSOLQXFVSA-N 2 2 360.502 1.667 10 0 FDAELP COCCN1CC[N@@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C[C@H]1C ZINC000106107248 525596912 /nfs/dbraw/zinc/59/69/12/525596912.db2.gz KZOPVMLFQGRRRU-MSOLQXFVSA-N 2 2 360.502 1.667 10 0 FDAELP CCCCNC(=O)[C@@H](C)[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000106121916 525615637 /nfs/dbraw/zinc/61/56/37/525615637.db2.gz DSXUIIXQRCVCHJ-QZTJIDSGSA-N 2 2 354.539 1.018 10 0 FDAELP CCCCNC(=O)[C@@H](C)[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000106121916 525615644 /nfs/dbraw/zinc/61/56/44/525615644.db2.gz DSXUIIXQRCVCHJ-QZTJIDSGSA-N 2 2 354.539 1.018 10 0 FDAELP CCC(C)(C)NC(=O)C[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000106122888 525617503 /nfs/dbraw/zinc/61/75/03/525617503.db2.gz IJGVTFVOUCMARQ-QGZVFWFLSA-N 2 2 354.539 1.018 10 0 FDAELP CCC(C)(C)NC(=O)C[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000106122888 525617508 /nfs/dbraw/zinc/61/75/08/525617508.db2.gz IJGVTFVOUCMARQ-QGZVFWFLSA-N 2 2 354.539 1.018 10 0 FDAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](CCOc3ccccc3F)CC2)C1 ZINC000106123569 525617939 /nfs/dbraw/zinc/61/79/39/525617939.db2.gz OMNPUEOOVHNQCG-SFHVURJKSA-N 2 2 365.493 1.931 10 0 FDAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](CCOc3ccccc3F)CC2)C1 ZINC000106123569 525617949 /nfs/dbraw/zinc/61/79/49/525617949.db2.gz OMNPUEOOVHNQCG-SFHVURJKSA-N 2 2 365.493 1.931 10 0 FDAELP COc1ccccc1NC(=O)C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106130374 525624580 /nfs/dbraw/zinc/62/45/80/525624580.db2.gz PXNSQVQFZPPIGU-UHFFFAOYSA-N 2 2 371.485 1.927 10 0 FDAELP COc1ccccc1NC(=O)C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106130374 525624592 /nfs/dbraw/zinc/62/45/92/525624592.db2.gz PXNSQVQFZPPIGU-UHFFFAOYSA-N 2 2 371.485 1.927 10 0 FDAELP CNc1cc(N2CCC[C@H]2C[NH2+]C2CCN(C(=O)N(C)C)CC2)nc[nH+]1 ZINC000181771714 525924189 /nfs/dbraw/zinc/92/41/89/525924189.db2.gz OIIZQVORXQIILL-HNNXBMFYSA-N 2 2 361.494 1.223 10 0 FDAELP C[C@@H]([NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1)c1ccc(F)c(F)c1 ZINC000181866258 525962809 /nfs/dbraw/zinc/96/28/09/525962809.db2.gz JCSFTBJLKHBNLZ-CYBMUJFWSA-N 2 2 355.429 1.842 10 0 FDAELP C[C@@H](O)C[N@@H+]1CCN(Cc2c[nH+]c3ccc(Br)cn23)C[C@H]1C ZINC000120578240 526113587 /nfs/dbraw/zinc/11/35/87/526113587.db2.gz KOSBZGLIPZSPLP-CHWSQXEVSA-N 2 2 367.291 1.984 10 0 FDAELP C[C@@H](O)C[N@H+]1CCN(Cc2c[nH+]c3ccc(Br)cn23)C[C@H]1C ZINC000120578240 526113594 /nfs/dbraw/zinc/11/35/94/526113594.db2.gz KOSBZGLIPZSPLP-CHWSQXEVSA-N 2 2 367.291 1.984 10 0 FDAELP CC[NH+](CC)CCCC1CCN(C(=O)NC[C@H]2C[N@H+](C)CCO2)CC1 ZINC000182515027 526195113 /nfs/dbraw/zinc/19/51/13/526195113.db2.gz HJKOSBXMDLOPCN-SFHVURJKSA-N 2 2 354.539 1.861 10 0 FDAELP CC[NH+](CC)CCCC1CCN(C(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000182515027 526195118 /nfs/dbraw/zinc/19/51/18/526195118.db2.gz HJKOSBXMDLOPCN-SFHVURJKSA-N 2 2 354.539 1.861 10 0 FDAELP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NC[C@H]2C[N@H+](C)CCO2)CC1 ZINC000120866330 526205306 /nfs/dbraw/zinc/20/53/06/526205306.db2.gz SRBXTIZTTBLERQ-HOCLYGCPSA-N 2 2 352.504 1.467 10 0 FDAELP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000120866330 526205310 /nfs/dbraw/zinc/20/53/10/526205310.db2.gz SRBXTIZTTBLERQ-HOCLYGCPSA-N 2 2 352.504 1.467 10 0 FDAELP COC(=O)COc1ccccc1[C@@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000183397798 535973861 /nfs/dbraw/zinc/97/38/61/535973861.db2.gz URLBWOZNWUNQIQ-HZPDHXFCSA-N 2 2 350.459 1.736 10 0 FDAELP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+][C@H]2C[N@@H+](C(C)C)C[C@@H]2C)CC1 ZINC000183616840 536015618 /nfs/dbraw/zinc/01/56/18/536015618.db2.gz XZTAQLQOUVJSOF-BQFCYCMXSA-N 2 2 367.534 1.885 10 0 FDAELP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+][C@H]2C[N@H+](C(C)C)C[C@@H]2C)CC1 ZINC000183616840 536015621 /nfs/dbraw/zinc/01/56/21/536015621.db2.gz XZTAQLQOUVJSOF-BQFCYCMXSA-N 2 2 367.534 1.885 10 0 FDAELP C[C@H](CNC(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)[NH+]1CCOCC1 ZINC000187333648 536262299 /nfs/dbraw/zinc/26/22/99/536262299.db2.gz RAWOOUCEFZFPBM-XLIONFOSSA-N 2 2 374.529 1.917 10 0 FDAELP C[C@H](CNC(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)[NH+]1CCOCC1 ZINC000187333648 536262300 /nfs/dbraw/zinc/26/23/00/536262300.db2.gz RAWOOUCEFZFPBM-XLIONFOSSA-N 2 2 374.529 1.917 10 0 FDAELP C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000246396192 536943098 /nfs/dbraw/zinc/94/30/98/536943098.db2.gz JFAITGJHMAIUJJ-JKSUJKDBSA-N 2 2 350.463 1.436 10 0 FDAELP C[N@H+]1CCO[C@@H](CNC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000246396192 536943103 /nfs/dbraw/zinc/94/31/03/536943103.db2.gz JFAITGJHMAIUJJ-JKSUJKDBSA-N 2 2 350.463 1.436 10 0 FDAELP COc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3CC(F)(F)C[NH2+]3)CC2)cc1 ZINC000263046216 536965851 /nfs/dbraw/zinc/96/58/51/536965851.db2.gz UBLNLALSEGFPBG-MRXNPFEDSA-N 2 2 353.413 1.727 10 0 FDAELP COc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3CC(F)(F)C[NH2+]3)CC2)cc1 ZINC000263046216 536965853 /nfs/dbraw/zinc/96/58/53/536965853.db2.gz UBLNLALSEGFPBG-MRXNPFEDSA-N 2 2 353.413 1.727 10 0 FDAELP COCC[N@H+](C)CCOc1cccc(CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)c1 ZINC000263207277 536992354 /nfs/dbraw/zinc/99/23/54/536992354.db2.gz JVYVWNQIZXULDE-INIZCTEOSA-N 2 2 371.428 1.257 10 0 FDAELP COCC[N@@H+](C)CCOc1cccc(CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)c1 ZINC000263207277 536992355 /nfs/dbraw/zinc/99/23/55/536992355.db2.gz JVYVWNQIZXULDE-INIZCTEOSA-N 2 2 371.428 1.257 10 0 FDAELP CC[C@H]1CN(C(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)CC[N@@H+]1C[C@H](C)O ZINC000246699894 537006911 /nfs/dbraw/zinc/00/69/11/537006911.db2.gz CBGMJMMJGKFJAY-HKUYNNGSSA-N 2 2 374.529 1.910 10 0 FDAELP CC[C@H]1CN(C(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)CC[N@H+]1C[C@H](C)O ZINC000246699894 537006913 /nfs/dbraw/zinc/00/69/13/537006913.db2.gz CBGMJMMJGKFJAY-HKUYNNGSSA-N 2 2 374.529 1.910 10 0 FDAELP CCCn1cc(C[N@@H+]2CCCN(C(=O)[C@H]3CC(F)(F)C[NH2+]3)CC2)cn1 ZINC000263302838 537013530 /nfs/dbraw/zinc/01/35/30/537013530.db2.gz XHZANRBWRJVNHS-OAHLLOKOSA-N 2 2 355.433 1.325 10 0 FDAELP CCCn1cc(C[N@H+]2CCCN(C(=O)[C@H]3CC(F)(F)C[NH2+]3)CC2)cn1 ZINC000263302838 537013533 /nfs/dbraw/zinc/01/35/33/537013533.db2.gz XHZANRBWRJVNHS-OAHLLOKOSA-N 2 2 355.433 1.325 10 0 FDAELP CC[C@H](C)[C@@H](NC(=O)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C)C(=O)OC ZINC000247015385 537069288 /nfs/dbraw/zinc/06/92/88/537069288.db2.gz LNVKKUYFCRMVKQ-JLJPHGGASA-N 2 2 350.463 1.360 10 0 FDAELP CC[C@H](C)[C@@H](NC(=O)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C)C(=O)OC ZINC000247015385 537069289 /nfs/dbraw/zinc/06/92/89/537069289.db2.gz LNVKKUYFCRMVKQ-JLJPHGGASA-N 2 2 350.463 1.360 10 0 FDAELP CC[C@@H]1CN(C(=O)[C@H](C)[NH+]2CCc3ccccc3C2)CC[N@@H+]1C[C@@H](C)O ZINC000247017989 537070385 /nfs/dbraw/zinc/07/03/85/537070385.db2.gz WOOZJDSCNSRODD-FUHIMQAGSA-N 2 2 359.514 1.737 10 0 FDAELP CC[C@@H]1CN(C(=O)[C@H](C)[NH+]2CCc3ccccc3C2)CC[N@H+]1C[C@@H](C)O ZINC000247017989 537070386 /nfs/dbraw/zinc/07/03/86/537070386.db2.gz WOOZJDSCNSRODD-FUHIMQAGSA-N 2 2 359.514 1.737 10 0 FDAELP CC[C@@H]1CN(C(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)CC[NH+]1C[C@@H](C)O ZINC000247017989 537070387 /nfs/dbraw/zinc/07/03/87/537070387.db2.gz WOOZJDSCNSRODD-FUHIMQAGSA-N 2 2 359.514 1.737 10 0 FDAELP CC[C@@H]1CN(C(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)CC[NH+]1C[C@@H](C)O ZINC000247017989 537070391 /nfs/dbraw/zinc/07/03/91/537070391.db2.gz WOOZJDSCNSRODD-FUHIMQAGSA-N 2 2 359.514 1.737 10 0 FDAELP CCOCC[N@@H+]1CCN(C(=O)NC[C@H](C)Cn2cc[nH+]c2C)C[C@H]1CC ZINC000247186621 537091737 /nfs/dbraw/zinc/09/17/37/537091737.db2.gz SDFXZKJVCNBPEH-FUHWJXTLSA-N 2 2 365.522 1.970 10 0 FDAELP CCOCC[N@H+]1CCN(C(=O)NC[C@H](C)Cn2cc[nH+]c2C)C[C@H]1CC ZINC000247186621 537091739 /nfs/dbraw/zinc/09/17/39/537091739.db2.gz SDFXZKJVCNBPEH-FUHWJXTLSA-N 2 2 365.522 1.970 10 0 FDAELP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000247224093 537096878 /nfs/dbraw/zinc/09/68/78/537096878.db2.gz WKHTWQIZLIBFJR-DLBZAZTESA-N 2 2 352.523 1.613 10 0 FDAELP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000247224093 537096880 /nfs/dbraw/zinc/09/68/80/537096880.db2.gz WKHTWQIZLIBFJR-DLBZAZTESA-N 2 2 352.523 1.613 10 0 FDAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000247505748 537127186 /nfs/dbraw/zinc/12/71/86/537127186.db2.gz XXSUFWRWFQVJMN-RYRKJORJSA-N 2 2 370.563 1.222 10 0 FDAELP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000247505748 537127189 /nfs/dbraw/zinc/12/71/89/537127189.db2.gz XXSUFWRWFQVJMN-RYRKJORJSA-N 2 2 370.563 1.222 10 0 FDAELP CC[C@@H]1CN(C(=O)NCCCNc2ccc(C)c[nH+]2)CC[N@@H+]1C[C@H](C)O ZINC000248463860 537185632 /nfs/dbraw/zinc/18/56/32/537185632.db2.gz XWZRWIYKOLAHED-DLBZAZTESA-N 2 2 363.506 1.679 10 0 FDAELP CC[C@@H]1CN(C(=O)NCCCNc2ccc(C)c[nH+]2)CC[N@H+]1C[C@H](C)O ZINC000248463860 537185634 /nfs/dbraw/zinc/18/56/34/537185634.db2.gz XWZRWIYKOLAHED-DLBZAZTESA-N 2 2 363.506 1.679 10 0 FDAELP CC[NH+]1CCN(C(=O)[C@@H](C)N2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)CC1 ZINC000248656482 537202278 /nfs/dbraw/zinc/20/22/78/537202278.db2.gz RLJOLNFQFSTVMG-QUCCMNQESA-N 2 2 373.545 1.388 10 0 FDAELP CC[NH+]1CCN(C(=O)[C@@H](C)N2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)CC1 ZINC000248656482 537202281 /nfs/dbraw/zinc/20/22/81/537202281.db2.gz RLJOLNFQFSTVMG-QUCCMNQESA-N 2 2 373.545 1.388 10 0 FDAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)CC1 ZINC000248656482 537202283 /nfs/dbraw/zinc/20/22/83/537202283.db2.gz RLJOLNFQFSTVMG-QUCCMNQESA-N 3 2 373.545 1.388 10 0 FDAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)CC1 ZINC000248656482 537202285 /nfs/dbraw/zinc/20/22/85/537202285.db2.gz RLJOLNFQFSTVMG-QUCCMNQESA-N 3 2 373.545 1.388 10 0 FDAELP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)CC1 ZINC000248656482 537202287 /nfs/dbraw/zinc/20/22/87/537202287.db2.gz RLJOLNFQFSTVMG-QUCCMNQESA-N 3 2 373.545 1.388 10 0 FDAELP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)CC1 ZINC000248656482 537202288 /nfs/dbraw/zinc/20/22/88/537202288.db2.gz RLJOLNFQFSTVMG-QUCCMNQESA-N 3 2 373.545 1.388 10 0 FDAELP CC[N@H+](CCCNC(=O)N1CC[NH+](C[C@H](C)O)[C@@H](C)C1)c1ccccc1 ZINC000248666392 537202947 /nfs/dbraw/zinc/20/29/47/537202947.db2.gz WQZQKTQEGKIQKV-ROUUACIJSA-N 2 2 362.518 2.000 10 0 FDAELP CC[N@@H+](CCCNC(=O)N1CC[NH+](C[C@H](C)O)[C@@H](C)C1)c1ccccc1 ZINC000248666392 537202948 /nfs/dbraw/zinc/20/29/48/537202948.db2.gz WQZQKTQEGKIQKV-ROUUACIJSA-N 2 2 362.518 2.000 10 0 FDAELP CC[NH+](CCCNC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1)c1ccccc1 ZINC000248666392 537202949 /nfs/dbraw/zinc/20/29/49/537202949.db2.gz WQZQKTQEGKIQKV-ROUUACIJSA-N 2 2 362.518 2.000 10 0 FDAELP CC[NH+](CCCNC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1)c1ccccc1 ZINC000248666392 537202950 /nfs/dbraw/zinc/20/29/50/537202950.db2.gz WQZQKTQEGKIQKV-ROUUACIJSA-N 2 2 362.518 2.000 10 0 FDAELP COCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195256153 537379961 /nfs/dbraw/zinc/37/99/61/537379961.db2.gz SUMFOSNUXDKRBO-HOTGVXAUSA-N 2 2 368.547 1.746 10 0 FDAELP COCCCNC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195256153 537379973 /nfs/dbraw/zinc/37/99/73/537379973.db2.gz SUMFOSNUXDKRBO-HOTGVXAUSA-N 2 2 368.547 1.746 10 0 FDAELP COCCCNC(=O)[C@H](C)[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195256153 537379983 /nfs/dbraw/zinc/37/99/83/537379983.db2.gz SUMFOSNUXDKRBO-HOTGVXAUSA-N 2 2 368.547 1.746 10 0 FDAELP COCCCNC(=O)[C@H](C)[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000195256153 537379992 /nfs/dbraw/zinc/37/99/92/537379992.db2.gz SUMFOSNUXDKRBO-HOTGVXAUSA-N 2 2 368.547 1.746 10 0 FDAELP CCS(=O)(=O)NCCC[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195267450 537383224 /nfs/dbraw/zinc/38/32/24/537383224.db2.gz YEKRSQQOBVXUSH-HNNXBMFYSA-N 2 2 374.576 1.535 10 0 FDAELP CCS(=O)(=O)NCCC[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195267450 537383230 /nfs/dbraw/zinc/38/32/30/537383230.db2.gz YEKRSQQOBVXUSH-HNNXBMFYSA-N 2 2 374.576 1.535 10 0 FDAELP CCS(=O)(=O)NCCC[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195267450 537383241 /nfs/dbraw/zinc/38/32/41/537383241.db2.gz YEKRSQQOBVXUSH-HNNXBMFYSA-N 2 2 374.576 1.535 10 0 FDAELP OCC[N@@H+]1CCC[C@H]([NH2+]Cc2ccc(I)cc2)C1 ZINC000384431659 537760119 /nfs/dbraw/zinc/76/01/19/537760119.db2.gz FLJGSSNNIDTPBP-AWEZNQCLSA-N 2 2 360.239 1.838 10 0 FDAELP OCC[N@H+]1CCC[C@H]([NH2+]Cc2ccc(I)cc2)C1 ZINC000384431659 537760122 /nfs/dbraw/zinc/76/01/22/537760122.db2.gz FLJGSSNNIDTPBP-AWEZNQCLSA-N 2 2 360.239 1.838 10 0 FDAELP CC(C)(C)OC(=O)N1CC[NH2+][C@H](c2cnnn2[C@H]2CCC[NH2+]CC2)C1 ZINC000725266220 571151411 /nfs/dbraw/zinc/15/14/11/571151411.db2.gz ZWNUIISAMSEEMK-KBPBESRZSA-N 2 2 350.467 1.474 10 0 FDAELP NC(=O)c1cnn2c1CC[C@@H](C[NH2+]C1CCN(c3cccc[nH+]3)CC1)C2 ZINC000328640781 571325644 /nfs/dbraw/zinc/32/56/44/571325644.db2.gz QEMUGBOFELGJOI-AWEZNQCLSA-N 2 2 354.458 1.982 10 0 FDAELP CCCn1c(CO)nn(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1=S ZINC000120568083 671692438 /nfs/dbraw/zinc/69/24/38/671692438.db2.gz CSXZRKGRTQYXCI-AWEZNQCLSA-N 2 2 350.492 1.943 10 0 FDAELP CCCn1c(CO)nn(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1=S ZINC000120568083 671692440 /nfs/dbraw/zinc/69/24/40/671692440.db2.gz CSXZRKGRTQYXCI-AWEZNQCLSA-N 2 2 350.492 1.943 10 0 FDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H](C)C(=O)Nc1sccc1C(N)=O ZINC000245907145 672471081 /nfs/dbraw/zinc/47/10/81/672471081.db2.gz CMZOHUPZJVYMTO-DGCLKSJQSA-N 2 2 361.471 1.844 10 0 FDAELP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[N@H+](C)C[C@]2(C)CC[NH2+]C2)cc[nH+]1 ZINC000261998170 672708816 /nfs/dbraw/zinc/70/88/16/672708816.db2.gz LANOBRCCJLLOHX-RLFYNMQTSA-N 3 2 350.486 1.391 10 0 FDAELP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[N@@H+](C)C[C@]2(C)CC[NH2+]C2)cc[nH+]1 ZINC000261998170 672708818 /nfs/dbraw/zinc/70/88/18/672708818.db2.gz LANOBRCCJLLOHX-RLFYNMQTSA-N 3 2 350.486 1.391 10 0 FDAELP CCOCCOc1ccc(Br)cc1C[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000262191704 672744154 /nfs/dbraw/zinc/74/41/54/672744154.db2.gz YSAVXDODLHWMIT-ZFWWWQNUSA-N 2 2 373.291 1.534 10 0 FDAELP CO[C@H]1C[C@H](c2nc(C)no2)[N@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000192835561 178135427 /nfs/dbraw/zinc/13/54/27/178135427.db2.gz XOKHACGWGGCFJA-DLBZAZTESA-N 2 2 351.495 1.556 10 0 FDAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](c2ncc[nH]2)c2cccnc2)nc[nH+]1 ZINC000195067251 178237956 /nfs/dbraw/zinc/23/79/56/178237956.db2.gz ARSDARIMIJITKY-YJBOKZPZSA-N 2 2 364.457 1.984 10 0 FDAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](CC(=O)NCc2cccnc2)C1 ZINC000195265610 178251985 /nfs/dbraw/zinc/25/19/85/178251985.db2.gz OZWAVNWKYVXTQK-KRWDZBQOSA-N 2 2 373.526 1.917 10 0 FDAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)NCc2cccnc2)C1 ZINC000195265610 178251987 /nfs/dbraw/zinc/25/19/87/178251987.db2.gz OZWAVNWKYVXTQK-KRWDZBQOSA-N 2 2 373.526 1.917 10 0 FDAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NCc2cccnc2)C1 ZINC000195265610 178251990 /nfs/dbraw/zinc/25/19/90/178251990.db2.gz OZWAVNWKYVXTQK-KRWDZBQOSA-N 2 2 373.526 1.917 10 0 FDAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NCc2cccnc2)C1 ZINC000195265610 178251991 /nfs/dbraw/zinc/25/19/91/178251991.db2.gz OZWAVNWKYVXTQK-KRWDZBQOSA-N 2 2 373.526 1.917 10 0 FDAELP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)C[C@@H](C)O1 ZINC000195294605 178254606 /nfs/dbraw/zinc/25/46/06/178254606.db2.gz GKBZIWQWPXWRAE-ZHALLVOQSA-N 2 2 360.502 1.471 10 0 FDAELP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)C[C@@H](C)O1 ZINC000195294605 178254607 /nfs/dbraw/zinc/25/46/07/178254607.db2.gz GKBZIWQWPXWRAE-ZHALLVOQSA-N 2 2 360.502 1.471 10 0 FDAELP C[C@@H]1CN(C(=O)C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)C[C@@H](C)O1 ZINC000195294605 178254609 /nfs/dbraw/zinc/25/46/09/178254609.db2.gz GKBZIWQWPXWRAE-ZHALLVOQSA-N 2 2 360.502 1.471 10 0 FDAELP C[C@@H]1CN(C(=O)C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)C[C@@H](C)O1 ZINC000195294605 178254611 /nfs/dbraw/zinc/25/46/11/178254611.db2.gz GKBZIWQWPXWRAE-ZHALLVOQSA-N 2 2 360.502 1.471 10 0 FDAELP OCc1nnc(CC2CC[NH+]([C@H]3CCC[NH2+]C3)CC2)n1-c1ccccc1 ZINC000055152754 221060063 /nfs/dbraw/zinc/06/00/63/221060063.db2.gz LRNOQONZIIKUFN-SFHVURJKSA-N 2 2 355.486 1.766 10 0 FDAELP C[N@H+](Cc1nccs1)[C@H]1CC12CCN(C(=O)[C@@H]1C[NH+](C)CCO1)CC2 ZINC000548024663 542530125 /nfs/dbraw/zinc/53/01/25/542530125.db2.gz JOLOHAKHRISFJZ-GJZGRUSLSA-N 2 2 364.515 1.287 10 0 FDAELP C[N@@H+](Cc1nccs1)[C@H]1CC12CCN(C(=O)[C@@H]1C[NH+](C)CCO1)CC2 ZINC000548024663 542530129 /nfs/dbraw/zinc/53/01/29/542530129.db2.gz JOLOHAKHRISFJZ-GJZGRUSLSA-N 2 2 364.515 1.287 10 0 FDAELP C[NH+](Cc1nccs1)[C@H]1CC12CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)CC2 ZINC000548024663 542530133 /nfs/dbraw/zinc/53/01/33/542530133.db2.gz JOLOHAKHRISFJZ-GJZGRUSLSA-N 2 2 364.515 1.287 10 0 FDAELP C[NH+](Cc1nccs1)[C@H]1CC12CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)CC2 ZINC000548024663 542530137 /nfs/dbraw/zinc/53/01/37/542530137.db2.gz JOLOHAKHRISFJZ-GJZGRUSLSA-N 2 2 364.515 1.287 10 0 FDAELP COC(=O)[C@H](CC(C)C)NC(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171645330 258267301 /nfs/dbraw/zinc/26/73/01/258267301.db2.gz OPWBXZGIJLNWDU-CVEARBPZSA-N 2 2 362.474 1.519 10 0 FDAELP COC(=O)[C@H](CC(C)C)NC(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171645330 258267302 /nfs/dbraw/zinc/26/73/02/258267302.db2.gz OPWBXZGIJLNWDU-CVEARBPZSA-N 2 2 362.474 1.519 10 0 FDAELP C[C@@H]1C[N@@H+](C2CC[NH+](CCC(=O)Nc3cc(N)ccc3F)CC2)CCO1 ZINC000081671505 172194030 /nfs/dbraw/zinc/19/40/30/172194030.db2.gz GACFLQVMWQVRRI-CQSZACIVSA-N 2 2 364.465 1.922 10 0 FDAELP C[C@@H]1C[N@H+](C2CC[NH+](CCC(=O)Nc3cc(N)ccc3F)CC2)CCO1 ZINC000081671505 172194032 /nfs/dbraw/zinc/19/40/32/172194032.db2.gz GACFLQVMWQVRRI-CQSZACIVSA-N 2 2 364.465 1.922 10 0 FDAELP C[N@@H+]1CCO[C@@H](CNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000104799203 172386518 /nfs/dbraw/zinc/38/65/18/172386518.db2.gz XVINOJOULUWLRP-IBGZPJMESA-N 2 2 360.502 1.802 10 0 FDAELP C[N@H+]1CCO[C@@H](CNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000104799203 172386521 /nfs/dbraw/zinc/38/65/21/172386521.db2.gz XVINOJOULUWLRP-IBGZPJMESA-N 2 2 360.502 1.802 10 0 FDAELP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000150787181 173381306 /nfs/dbraw/zinc/38/13/06/173381306.db2.gz KJTGYVILCOKCDE-PBHICJAKSA-N 2 2 355.442 1.656 10 0 FDAELP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000151341088 173397561 /nfs/dbraw/zinc/39/75/61/173397561.db2.gz DSKRAXWYWOXGHL-ZBFHGGJFSA-N 2 2 355.504 1.092 10 0 FDAELP C[C@@H]1CN(C(=O)NCc2cccnc2-n2cc[nH+]c2)C[C@@H]1[NH+]1CCOCC1 ZINC000175664797 174018530 /nfs/dbraw/zinc/01/85/30/174018530.db2.gz HINMPUKEEPIPOM-WBVHZDCISA-N 2 2 370.457 1.129 10 0 FDAELP Cc1cccc2[nH+]c(CNC(=O)N3C[C@H]([NH+]4CCOCC4)[C@@H](C)C3)cn21 ZINC000175773131 174026776 /nfs/dbraw/zinc/02/67/76/174026776.db2.gz PRKMVAFEUPLNBX-YOEHRIQHSA-N 2 2 357.458 1.505 10 0 FDAELP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H]3CCCC[C@H]3CO)CC2)CC1 ZINC000176020693 174044624 /nfs/dbraw/zinc/04/46/24/174044624.db2.gz NENHDRMICIXFII-MAUKXSAKSA-N 2 2 352.523 1.395 10 0 FDAELP CCCNC(=O)CN(C)C(=O)C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180649261 258372585 /nfs/dbraw/zinc/37/25/85/258372585.db2.gz NNUKQIMUQZTPCM-OAHLLOKOSA-N 2 2 357.458 1.508 10 0 FDAELP C[C@H]1CCC[N@H+](CCCCNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000173785419 258310866 /nfs/dbraw/zinc/31/08/66/258310866.db2.gz DAXGPQOSCLUUGO-ROUUACIJSA-N 2 2 352.523 1.615 10 0 FDAELP C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000173785419 258310867 /nfs/dbraw/zinc/31/08/67/258310867.db2.gz DAXGPQOSCLUUGO-ROUUACIJSA-N 2 2 352.523 1.615 10 0 FDAELP O=C(NCCCCC[NH+]1CCCCC1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173862393 258313234 /nfs/dbraw/zinc/31/32/34/258313234.db2.gz ZLAJFDDZKHZVSJ-GOSISDBHSA-N 2 2 352.523 1.759 10 0 FDAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)C(=O)N2CCC(C)CC2)nc[nH+]1 ZINC000174286062 258322836 /nfs/dbraw/zinc/32/28/36/258322836.db2.gz SDUOGRIBJYVKLP-HOTGVXAUSA-N 2 2 360.506 1.724 10 0 FDAELP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000247539652 258399241 /nfs/dbraw/zinc/39/92/41/258399241.db2.gz YGCMWRRWCOLBIC-XLIONFOSSA-N 2 2 372.513 1.897 10 0 FDAELP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000247539652 258399242 /nfs/dbraw/zinc/39/92/42/258399242.db2.gz YGCMWRRWCOLBIC-XLIONFOSSA-N 2 2 372.513 1.897 10 0 FDAELP C[C@H]1CN(C(=O)c2ccc(-n3ccnn3)cc2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000329086863 259076708 /nfs/dbraw/zinc/07/67/08/259076708.db2.gz HBQSKLPPJFYAQY-INIZCTEOSA-N 2 2 368.485 1.508 10 0 FDAELP C[C@H]1CN(C(=O)c2ccc(-n3ccnn3)cc2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000329086863 259076709 /nfs/dbraw/zinc/07/67/09/259076709.db2.gz HBQSKLPPJFYAQY-INIZCTEOSA-N 2 2 368.485 1.508 10 0 FDAELP C[C@@H]1CN(C(=O)c2ccc(-n3cncn3)cc2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000329089538 259076825 /nfs/dbraw/zinc/07/68/25/259076825.db2.gz INDDXLGVQPYWMK-MRXNPFEDSA-N 2 2 368.485 1.508 10 0 FDAELP C[C@@H]1CN(C(=O)c2ccc3nccnc3c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000329100189 259077386 /nfs/dbraw/zinc/07/73/86/259077386.db2.gz MLSXVNDQKPGRND-OAHLLOKOSA-N 2 2 353.470 1.870 10 0 FDAELP C[C@@H]1CN(C(=O)c2ccc3nccnc3c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000329100189 259077387 /nfs/dbraw/zinc/07/73/87/259077387.db2.gz MLSXVNDQKPGRND-OAHLLOKOSA-N 2 2 353.470 1.870 10 0 FDAELP OCC[NH2+]CC[NH2+]Cc1cccc(Oc2nnnn2-c2ccccc2)c1 ZINC000022937051 518923842 /nfs/dbraw/zinc/92/38/42/518923842.db2.gz BFRDWTLKTZDMRT-UHFFFAOYSA-N 2 2 354.414 1.126 10 0 FDAELP O=C(NCc1ccccc1C[NH+]1CCOCC1)N1CCC[N@@H+](C2CC2)CC1 ZINC000061855176 522499831 /nfs/dbraw/zinc/49/98/31/522499831.db2.gz AXWZCQXRUKMJJN-UHFFFAOYSA-N 2 2 372.513 1.899 10 0 FDAELP O=C(NCc1ccccc1C[NH+]1CCOCC1)N1CCC[N@H+](C2CC2)CC1 ZINC000061855176 522499838 /nfs/dbraw/zinc/49/98/38/522499838.db2.gz AXWZCQXRUKMJJN-UHFFFAOYSA-N 2 2 372.513 1.899 10 0 FDAELP CC(C)CC[NH+]1CCC(CNC(=O)NC[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000080071949 523829187 /nfs/dbraw/zinc/82/91/87/523829187.db2.gz HUGLDDIFXWLUCA-QGZVFWFLSA-N 2 2 354.539 1.764 10 0 FDAELP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000172080587 524111528 /nfs/dbraw/zinc/11/15/28/524111528.db2.gz LDBVDMHHHDULLD-YLJYHZDGSA-N 2 2 372.513 1.626 10 0 FDAELP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000172080587 524111534 /nfs/dbraw/zinc/11/15/34/524111534.db2.gz LDBVDMHHHDULLD-YLJYHZDGSA-N 2 2 372.513 1.626 10 0 FDAELP COc1cc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)ccc1S(C)(=O)=O ZINC000151291767 524550913 /nfs/dbraw/zinc/55/09/13/524550913.db2.gz GRJFMKQVHACNFF-GOEBONIOSA-N 2 2 370.515 1.596 10 0 FDAELP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NC[C@@H]2C[NH+](C)CCO2)C1 ZINC000114026954 524735294 /nfs/dbraw/zinc/73/52/94/524735294.db2.gz VTUSHKSLFHLQHB-FGTMMUONSA-N 2 2 352.523 1.613 10 0 FDAELP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NC[C@@H]2C[NH+](C)CCO2)C1 ZINC000114026954 524735305 /nfs/dbraw/zinc/73/53/05/524735305.db2.gz VTUSHKSLFHLQHB-FGTMMUONSA-N 2 2 352.523 1.613 10 0 FDAELP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)C1 ZINC000114026954 524735312 /nfs/dbraw/zinc/73/53/12/524735312.db2.gz VTUSHKSLFHLQHB-FGTMMUONSA-N 2 2 352.523 1.613 10 0 FDAELP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000114026954 524735321 /nfs/dbraw/zinc/73/53/21/524735321.db2.gz VTUSHKSLFHLQHB-FGTMMUONSA-N 2 2 352.523 1.613 10 0 FDAELP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000152385230 524867257 /nfs/dbraw/zinc/86/72/57/524867257.db2.gz YEKZJCFINQEIQT-GOSISDBHSA-N 3 2 353.555 1.432 10 0 FDAELP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000152385230 524867263 /nfs/dbraw/zinc/86/72/63/524867263.db2.gz YEKZJCFINQEIQT-GOSISDBHSA-N 3 2 353.555 1.432 10 0 FDAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCNS(=O)(=O)CCCOC)C1 ZINC000175202731 524902061 /nfs/dbraw/zinc/90/20/61/524902061.db2.gz CMQHWRYERHPNPP-HNNXBMFYSA-N 2 2 358.508 1.038 10 0 FDAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCNS(=O)(=O)CCCOC)C1 ZINC000175202731 524902071 /nfs/dbraw/zinc/90/20/71/524902071.db2.gz CMQHWRYERHPNPP-HNNXBMFYSA-N 2 2 358.508 1.038 10 0 FDAELP CC(C)c1ccc(C[NH+]2CCN(C(=O)NC[C@H]3C[N@H+](C)CCO3)CC2)cc1 ZINC000104799728 525438123 /nfs/dbraw/zinc/43/81/23/525438123.db2.gz ZJZYWKGNVGZINY-FQEVSTJZSA-N 2 2 374.529 1.968 10 0 FDAELP CC(C)c1ccc(C[NH+]2CCN(C(=O)NC[C@H]3C[N@@H+](C)CCO3)CC2)cc1 ZINC000104799728 525438132 /nfs/dbraw/zinc/43/81/32/525438132.db2.gz ZJZYWKGNVGZINY-FQEVSTJZSA-N 2 2 374.529 1.968 10 0 FDAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+]([C@@H](C)C(=O)NC(C)(C)C)CC2)C1 ZINC000106122430 525618887 /nfs/dbraw/zinc/61/88/87/525618887.db2.gz OLLKXCGEOJPXMO-DLBZAZTESA-N 2 2 354.539 1.016 10 0 FDAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+]([C@@H](C)C(=O)NC(C)(C)C)CC2)C1 ZINC000106122430 525618895 /nfs/dbraw/zinc/61/88/95/525618895.db2.gz OLLKXCGEOJPXMO-DLBZAZTESA-N 2 2 354.539 1.016 10 0 FDAELP Cc1cc(NC(=O)CC[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)no1 ZINC000106129398 525620570 /nfs/dbraw/zinc/62/05/70/525620570.db2.gz YZHYLDZBJNCAGG-UHFFFAOYSA-N 2 2 360.462 1.605 10 0 FDAELP Cc1cc(NC(=O)CC[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)no1 ZINC000106129398 525620583 /nfs/dbraw/zinc/62/05/83/525620583.db2.gz YZHYLDZBJNCAGG-UHFFFAOYSA-N 2 2 360.462 1.605 10 0 FDAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000119657676 525817914 /nfs/dbraw/zinc/81/79/14/525817914.db2.gz GAILWRTUXJAMST-APWZRJJASA-N 3 2 365.566 1.573 10 0 FDAELP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000119657676 525817923 /nfs/dbraw/zinc/81/79/23/525817923.db2.gz GAILWRTUXJAMST-APWZRJJASA-N 3 2 365.566 1.573 10 0 FDAELP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000182000827 526014657 /nfs/dbraw/zinc/01/46/57/526014657.db2.gz IAOVOIHADFPMQU-HNNXBMFYSA-N 2 2 359.474 1.569 10 0 FDAELP O=C(C[N@@H+]1CCC[C@@H](n2cncn2)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000171526605 526023510 /nfs/dbraw/zinc/02/35/10/526023510.db2.gz DRQAZGUXAJVRGF-MRXNPFEDSA-N 2 2 374.514 1.321 10 0 FDAELP O=C(C[N@H+]1CCC[C@@H](n2cncn2)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000171526605 526023518 /nfs/dbraw/zinc/02/35/18/526023518.db2.gz DRQAZGUXAJVRGF-MRXNPFEDSA-N 2 2 374.514 1.321 10 0 FDAELP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NC[C@H]2C[N@H+](C)CCO2)CC1 ZINC000120866493 526204137 /nfs/dbraw/zinc/20/41/37/526204137.db2.gz SRBXTIZTTBLERQ-ZBFHGGJFSA-N 2 2 352.504 1.467 10 0 FDAELP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000120866493 526204147 /nfs/dbraw/zinc/20/41/47/526204147.db2.gz SRBXTIZTTBLERQ-ZBFHGGJFSA-N 2 2 352.504 1.467 10 0 FDAELP Cn1cc[nH+]c1CN(CC(=O)NCc1ccccc1)[C@H]1CC12CC[NH2+]CC2 ZINC000262090956 527429119 /nfs/dbraw/zinc/42/91/19/527429119.db2.gz GYTKYYNPRUDKRS-SFHVURJKSA-N 2 2 367.497 1.681 10 0 FDAELP CC[N@H+](CCCNC(=O)N1CC[NH+](C[C@@H](C)O)[C@H](C)C1)c1ccccc1 ZINC000185262792 536203828 /nfs/dbraw/zinc/20/38/28/536203828.db2.gz WQZQKTQEGKIQKV-QZTJIDSGSA-N 2 2 362.518 2.000 10 0 FDAELP CC[N@@H+](CCCNC(=O)N1CC[NH+](C[C@@H](C)O)[C@H](C)C1)c1ccccc1 ZINC000185262792 536203829 /nfs/dbraw/zinc/20/38/29/536203829.db2.gz WQZQKTQEGKIQKV-QZTJIDSGSA-N 2 2 362.518 2.000 10 0 FDAELP CC[NH+](CCCNC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1)c1ccccc1 ZINC000185262792 536203830 /nfs/dbraw/zinc/20/38/30/536203830.db2.gz WQZQKTQEGKIQKV-QZTJIDSGSA-N 2 2 362.518 2.000 10 0 FDAELP CC[NH+](CCCNC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1)c1ccccc1 ZINC000185262792 536203831 /nfs/dbraw/zinc/20/38/31/536203831.db2.gz WQZQKTQEGKIQKV-QZTJIDSGSA-N 2 2 362.518 2.000 10 0 FDAELP C[C@@H](CNC(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1)[NH+]1CCOCC1 ZINC000187333668 536262400 /nfs/dbraw/zinc/26/24/00/536262400.db2.gz RAWOOUCEFZFPBM-FXAWDEMLSA-N 2 2 374.529 1.917 10 0 FDAELP C[C@@H](CNC(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)[NH+]1CCOCC1 ZINC000187333668 536262401 /nfs/dbraw/zinc/26/24/01/536262401.db2.gz RAWOOUCEFZFPBM-FXAWDEMLSA-N 2 2 374.529 1.917 10 0 FDAELP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000246420919 536950540 /nfs/dbraw/zinc/95/05/40/536950540.db2.gz LUOPQIIXDBWLIO-ZWKOTPCHSA-N 2 2 352.523 1.471 10 0 FDAELP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000246420919 536950543 /nfs/dbraw/zinc/95/05/43/536950543.db2.gz LUOPQIIXDBWLIO-ZWKOTPCHSA-N 2 2 352.523 1.471 10 0 FDAELP CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000263227877 536996294 /nfs/dbraw/zinc/99/62/94/536996294.db2.gz BAWKDVOYDAQRKT-RHSMWYFYSA-N 2 2 362.474 1.061 10 0 FDAELP COC[C@@H]([NH3+])C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000263263451 537004117 /nfs/dbraw/zinc/00/41/17/537004117.db2.gz UGOYXGOXTFLPFE-LJQANCHMSA-N 2 2 353.466 1.894 10 0 FDAELP CN1CC[NH2+]C[C@@H]1c1noc(C[C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000263304805 537013167 /nfs/dbraw/zinc/01/31/67/537013167.db2.gz XQOYHMNSFHERSS-DLBZAZTESA-N 2 2 357.458 1.089 10 0 FDAELP CN1CC[NH2+]C[C@@H]1c1noc(C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000263304805 537013172 /nfs/dbraw/zinc/01/31/72/537013172.db2.gz XQOYHMNSFHERSS-DLBZAZTESA-N 2 2 357.458 1.089 10 0 FDAELP C[N@H+](CCN1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1)Cc1ccccc1 ZINC000263307454 537014192 /nfs/dbraw/zinc/01/41/92/537014192.db2.gz YBAVTACBZYIMSH-KRWDZBQOSA-N 2 2 366.456 1.260 10 0 FDAELP C[N@@H+](CCN1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1)Cc1ccccc1 ZINC000263307454 537014195 /nfs/dbraw/zinc/01/41/95/537014195.db2.gz YBAVTACBZYIMSH-KRWDZBQOSA-N 2 2 366.456 1.260 10 0 FDAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CC[C@@H](N4CCOCC4)C3)c2cc1C ZINC000246879962 537043664 /nfs/dbraw/zinc/04/36/64/537043664.db2.gz GPIKBIPZWCGKFJ-QZTJIDSGSA-N 2 2 358.486 1.421 10 0 FDAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CC[C@@H](N4CCOCC4)C3)c2cc1C ZINC000246879962 537043670 /nfs/dbraw/zinc/04/36/70/537043670.db2.gz GPIKBIPZWCGKFJ-QZTJIDSGSA-N 2 2 358.486 1.421 10 0 FDAELP CCOCC[N@@H+]1CCN(C(=O)[C@H](C(C)C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000247046691 537074706 /nfs/dbraw/zinc/07/47/06/537074706.db2.gz JGFDETHPDDNVFQ-OKYOBFRVSA-N 2 2 369.550 1.689 10 0 FDAELP CCOCC[N@H+]1CCN(C(=O)[C@H](C(C)C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000247046691 537074709 /nfs/dbraw/zinc/07/47/09/537074709.db2.gz JGFDETHPDDNVFQ-OKYOBFRVSA-N 2 2 369.550 1.689 10 0 FDAELP CCOCC[NH+]1CCN(C(=O)[C@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000247046691 537074711 /nfs/dbraw/zinc/07/47/11/537074711.db2.gz JGFDETHPDDNVFQ-OKYOBFRVSA-N 2 2 369.550 1.689 10 0 FDAELP CCOCC[NH+]1CCN(C(=O)[C@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000247046691 537074716 /nfs/dbraw/zinc/07/47/16/537074716.db2.gz JGFDETHPDDNVFQ-OKYOBFRVSA-N 2 2 369.550 1.689 10 0 FDAELP CC(C)[C@@H](C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000247249489 537100978 /nfs/dbraw/zinc/10/09/78/537100978.db2.gz YTEQBHSXPJUQQY-VHPHOLNESA-N 2 2 367.534 1.299 10 0 FDAELP CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)C1 ZINC000247474043 537122876 /nfs/dbraw/zinc/12/28/76/537122876.db2.gz HRKFBJATEDWMDG-VQTJNVASSA-N 2 2 374.529 1.713 10 0 FDAELP CC[N@H+]1CCC[C@H](NC(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)C1 ZINC000247474043 537122877 /nfs/dbraw/zinc/12/28/77/537122877.db2.gz HRKFBJATEDWMDG-VQTJNVASSA-N 2 2 374.529 1.713 10 0 FDAELP CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000247478374 537123537 /nfs/dbraw/zinc/12/35/37/537123537.db2.gz IWWYKYFRPRBUIO-WMZOPIPTSA-N 2 2 362.493 1.937 10 0 FDAELP CC[N@H+]1CCC[C@H](NC(=O)[C@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000247478374 537123540 /nfs/dbraw/zinc/12/35/40/537123540.db2.gz IWWYKYFRPRBUIO-WMZOPIPTSA-N 2 2 362.493 1.937 10 0 FDAELP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000247507791 537127879 /nfs/dbraw/zinc/12/78/79/537127879.db2.gz YHTHZUGTIRHRIV-RTBURBONSA-N 2 2 360.502 1.481 10 0 FDAELP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000247507791 537127883 /nfs/dbraw/zinc/12/78/83/537127883.db2.gz YHTHZUGTIRHRIV-RTBURBONSA-N 2 2 360.502 1.481 10 0 FDAELP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000247507791 537127886 /nfs/dbraw/zinc/12/78/86/537127886.db2.gz YHTHZUGTIRHRIV-RTBURBONSA-N 2 2 360.502 1.481 10 0 FDAELP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000247507791 537127889 /nfs/dbraw/zinc/12/78/89/537127889.db2.gz YHTHZUGTIRHRIV-RTBURBONSA-N 2 2 360.502 1.481 10 0 FDAELP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000247963100 537159280 /nfs/dbraw/zinc/15/92/80/537159280.db2.gz DCZNKTNGMJBMKX-WMZOPIPTSA-N 3 2 351.539 1.281 10 0 FDAELP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000247963100 537159284 /nfs/dbraw/zinc/15/92/84/537159284.db2.gz DCZNKTNGMJBMKX-WMZOPIPTSA-N 3 2 351.539 1.281 10 0 FDAELP Cn1cc([C@H]2CCC[N@@H+]2CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)cn1 ZINC000248390201 537175712 /nfs/dbraw/zinc/17/57/12/537175712.db2.gz BRXFMRQKHPQIAX-RTBURBONSA-N 2 2 355.486 1.976 10 0 FDAELP Cn1cc([C@H]2CCC[N@H+]2CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)cn1 ZINC000248390201 537175714 /nfs/dbraw/zinc/17/57/14/537175714.db2.gz BRXFMRQKHPQIAX-RTBURBONSA-N 2 2 355.486 1.976 10 0 FDAELP COc1ccc(C(=O)NC(=O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171645529 258266747 /nfs/dbraw/zinc/26/67/47/258266747.db2.gz VRNCDCQQVJFBKN-OAHLLOKOSA-N 2 2 368.437 1.781 10 0 FDAELP COc1ccc(C(=O)NC(=O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171645529 258266748 /nfs/dbraw/zinc/26/67/48/258266748.db2.gz VRNCDCQQVJFBKN-OAHLLOKOSA-N 2 2 368.437 1.781 10 0 FDAELP CC[C@H](O)C[NH+]1CCN(C(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)CC1 ZINC000171653705 258267574 /nfs/dbraw/zinc/26/75/74/258267574.db2.gz VDBJITFFXXULQQ-SFHVURJKSA-N 2 2 360.502 1.522 10 0 FDAELP COCC[NH+]1CCN(C(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000173455477 258299607 /nfs/dbraw/zinc/29/96/07/258299607.db2.gz NNQBDRKUHYURDG-MRXNPFEDSA-N 2 2 357.458 1.907 10 0 FDAELP C[C@@H](NC(=O)N[C@@H](C)CN1CC[NH+](C)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000076471246 172109146 /nfs/dbraw/zinc/10/91/46/172109146.db2.gz OGWVSUGNSRDIEO-DLBZAZTESA-N 2 2 370.501 1.868 10 0 FDAELP C[C@@H](CNC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)[NH+]1CCOCC1 ZINC000077793239 172137652 /nfs/dbraw/zinc/13/76/52/172137652.db2.gz AWSZZUWHKLPPRY-HKUYNNGSSA-N 2 2 360.502 1.843 10 0 FDAELP C[C@@H]1CN(C(=O)NCC[N@@H+]2CCc3ccccc3C2)C[C@@H]1[NH+]1CCOCC1 ZINC000175667346 174018818 /nfs/dbraw/zinc/01/88/18/174018818.db2.gz LBLNZLPEWUIJHY-XLIONFOSSA-N 2 2 372.513 1.407 10 0 FDAELP C[C@@H]1CN(C(=O)NCC[N@H+]2CCc3ccccc3C2)C[C@@H]1[NH+]1CCOCC1 ZINC000175667346 174018821 /nfs/dbraw/zinc/01/88/21/174018821.db2.gz LBLNZLPEWUIJHY-XLIONFOSSA-N 2 2 372.513 1.407 10 0 FDAELP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000175688098 174020795 /nfs/dbraw/zinc/02/07/95/174020795.db2.gz ITVGCCFLVVDHSS-NUJGCVRESA-N 2 2 363.506 1.865 10 0 FDAELP C[C@H]1CCN(C(=O)NC[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000176438754 174070017 /nfs/dbraw/zinc/07/00/17/174070017.db2.gz IXVOFYRBQWFNQP-PKOBYXMFSA-N 2 2 360.502 1.623 10 0 FDAELP C[C@H]1CCN(C(=O)NC[C@@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1ccccc1 ZINC000176438754 174070020 /nfs/dbraw/zinc/07/00/20/174070020.db2.gz IXVOFYRBQWFNQP-PKOBYXMFSA-N 2 2 360.502 1.623 10 0 FDAELP C[C@H]1CCN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1ccccc1 ZINC000176438754 174070023 /nfs/dbraw/zinc/07/00/23/174070023.db2.gz IXVOFYRBQWFNQP-PKOBYXMFSA-N 2 2 360.502 1.623 10 0 FDAELP C[C@H]1CCN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1ccccc1 ZINC000176438754 174070026 /nfs/dbraw/zinc/07/00/26/174070026.db2.gz IXVOFYRBQWFNQP-PKOBYXMFSA-N 2 2 360.502 1.623 10 0 FDAELP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)c2ccnc(-n3cc[nH+]c3)c2)CC1 ZINC000176446774 174071114 /nfs/dbraw/zinc/07/11/14/174071114.db2.gz NSMRSELHKFELRU-HNNXBMFYSA-N 2 2 357.458 1.432 10 0 FDAELP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)c2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000176868359 174091474 /nfs/dbraw/zinc/09/14/74/174091474.db2.gz ANCFZXQWQZVPCP-OAHLLOKOSA-N 2 2 357.458 1.432 10 0 FDAELP COC(=O)[C@H](CC(C)C)NC(=O)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178300386 174182132 /nfs/dbraw/zinc/18/21/32/174182132.db2.gz OHWLMWASXFHBQL-CVEARBPZSA-N 2 2 350.463 1.360 10 0 FDAELP COC(=O)[C@H](CC(C)C)NC(=O)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178300386 174182133 /nfs/dbraw/zinc/18/21/33/174182133.db2.gz OHWLMWASXFHBQL-CVEARBPZSA-N 2 2 350.463 1.360 10 0 FDAELP CC[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000181527548 174230708 /nfs/dbraw/zinc/23/07/08/174230708.db2.gz WAVWPGADTGOHKQ-IRXDYDNUSA-N 2 2 364.490 1.515 10 0 FDAELP C[NH+](C)[C@H](CNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)C1CCCCC1 ZINC000173799232 258311758 /nfs/dbraw/zinc/31/17/58/258311758.db2.gz LVDHGEVTSMSQEZ-ZWKOTPCHSA-N 2 2 352.523 1.613 10 0 FDAELP C[NH+](C)Cc1cc(CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)ccc1F ZINC000173888214 258313425 /nfs/dbraw/zinc/31/34/25/258313425.db2.gz SOFQMBFHOJDYOY-QGZVFWFLSA-N 2 2 364.465 1.503 10 0 FDAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)C(=O)NCC(F)(F)F)nc[nH+]1 ZINC000174283897 258322975 /nfs/dbraw/zinc/32/29/75/258322975.db2.gz FKNMOALLDCPDGF-WDEREUQCSA-N 2 2 360.384 1.144 10 0 FDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)N[C@H](C)C(=O)N1CCCCC1 ZINC000247024053 258397746 /nfs/dbraw/zinc/39/77/46/258397746.db2.gz MAHNQDDRZKRNLI-WBVHZDCISA-N 2 2 361.490 1.173 10 0 FDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H](C)C(=O)N1CCCCC1 ZINC000247024053 258397747 /nfs/dbraw/zinc/39/77/47/258397747.db2.gz MAHNQDDRZKRNLI-WBVHZDCISA-N 2 2 361.490 1.173 10 0 FDAELP Cc1cc2ncc(C(=O)N3CC[N@H+](C4CC[NH+](C)CC4)[C@@H](C)C3)c(C)n2n1 ZINC000329115001 259078235 /nfs/dbraw/zinc/07/82/35/259078235.db2.gz SOGGYYGOHLSPMQ-HNNXBMFYSA-N 2 2 370.501 1.587 10 0 FDAELP Cc1cc2ncc(C(=O)N3CC[N@@H+](C4CC[NH+](C)CC4)[C@@H](C)C3)c(C)n2n1 ZINC000329115001 259078236 /nfs/dbraw/zinc/07/82/36/259078236.db2.gz SOGGYYGOHLSPMQ-HNNXBMFYSA-N 2 2 370.501 1.587 10 0 FDAELP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CC(=O)N2CCC[C@H](C(N)=O)C2)C1 ZINC000072965481 522437000 /nfs/dbraw/zinc/43/70/00/522437000.db2.gz SGDHFXVNPUVFKQ-KURKYZTESA-N 2 2 364.534 1.297 10 0 FDAELP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CC(=O)N2CCC[C@H](C(N)=O)C2)C1 ZINC000072965481 522437005 /nfs/dbraw/zinc/43/70/05/522437005.db2.gz SGDHFXVNPUVFKQ-KURKYZTESA-N 2 2 364.534 1.297 10 0 FDAELP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CC(=O)N2CCC[C@H](C(N)=O)C2)C1 ZINC000072965481 522437013 /nfs/dbraw/zinc/43/70/13/522437013.db2.gz SGDHFXVNPUVFKQ-KURKYZTESA-N 2 2 364.534 1.297 10 0 FDAELP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CC(=O)N2CCC[C@H](C(N)=O)C2)C1 ZINC000072965481 522437023 /nfs/dbraw/zinc/43/70/23/522437023.db2.gz SGDHFXVNPUVFKQ-KURKYZTESA-N 2 2 364.534 1.297 10 0 FDAELP CN(C)C(=O)[C@H]1CCC[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000076574742 523140026 /nfs/dbraw/zinc/14/00/26/523140026.db2.gz WPSFDAOFHZOJQU-LJQANCHMSA-N 2 2 372.513 1.451 10 0 FDAELP CN(C)C(=O)[C@H]1CCC[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000076574742 523140035 /nfs/dbraw/zinc/14/00/35/523140035.db2.gz WPSFDAOFHZOJQU-LJQANCHMSA-N 2 2 372.513 1.451 10 0 FDAELP CCCC[N@H+](C)CC1CCN(C(=O)NC[C@H](C)[NH+]2CCOCC2)CC1 ZINC000122110830 524453946 /nfs/dbraw/zinc/45/39/46/524453946.db2.gz XGFTUDNPOKLGFA-KRWDZBQOSA-N 2 2 354.539 1.861 10 0 FDAELP CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@H](C)[NH+]2CCOCC2)CC1 ZINC000122110830 524453950 /nfs/dbraw/zinc/45/39/50/524453950.db2.gz XGFTUDNPOKLGFA-KRWDZBQOSA-N 2 2 354.539 1.861 10 0 FDAELP CCOC(=O)N1CCC([NH2+]C[C@H]2CCCN2c2cc(NC)[nH+]cn2)CC1 ZINC000152231795 524821141 /nfs/dbraw/zinc/82/11/41/524821141.db2.gz BHPVEUBCVDOBNK-OAHLLOKOSA-N 2 2 362.478 1.698 10 0 FDAELP C[C@H](CNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)[NH+]1CCOCC1 ZINC000123874417 524850936 /nfs/dbraw/zinc/85/09/36/524850936.db2.gz XGGXHUNRNPQIKN-NUJGCVRESA-N 2 2 350.507 1.365 10 0 FDAELP C[C@H](CNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)[NH+]1CCOCC1 ZINC000123874417 524850941 /nfs/dbraw/zinc/85/09/41/524850941.db2.gz XGGXHUNRNPQIKN-NUJGCVRESA-N 2 2 350.507 1.365 10 0 FDAELP COCC[N@@H+]1CCN(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000117473373 525346903 /nfs/dbraw/zinc/34/69/03/525346903.db2.gz WGUJQBATVBBVLW-YESZJQIVSA-N 2 2 370.538 1.236 10 0 FDAELP COCC[N@H+]1CCN(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000117473373 525346914 /nfs/dbraw/zinc/34/69/14/525346914.db2.gz WGUJQBATVBBVLW-YESZJQIVSA-N 2 2 370.538 1.236 10 0 FDAELP COCC[NH+]1CCN(C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000117473373 525346925 /nfs/dbraw/zinc/34/69/25/525346925.db2.gz WGUJQBATVBBVLW-YESZJQIVSA-N 2 2 370.538 1.236 10 0 FDAELP COCC[NH+]1CCN(C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000117473373 525346936 /nfs/dbraw/zinc/34/69/36/525346936.db2.gz WGUJQBATVBBVLW-YESZJQIVSA-N 2 2 370.538 1.236 10 0 FDAELP O=C([C@H]1COCC[NH2+]1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000163370285 525396993 /nfs/dbraw/zinc/39/69/93/525396993.db2.gz HKKABLGXRUYUKS-HXUWFJFHSA-N 2 2 365.477 1.909 10 0 FDAELP O=C([C@H]1CCC[NH2+]C1)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000164040307 525472211 /nfs/dbraw/zinc/47/22/11/525472211.db2.gz OLZIOGNYAXHIBJ-HNNXBMFYSA-N 2 2 351.878 1.863 10 0 FDAELP CC[NH+](CC)CCN(Cc1cccs1)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000105283045 525487050 /nfs/dbraw/zinc/48/70/50/525487050.db2.gz HBZUPZQYZTZPLI-MRXNPFEDSA-N 2 2 368.547 1.932 10 0 FDAELP CC[NH+](CC)CCN(Cc1cccs1)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000105283045 525487054 /nfs/dbraw/zinc/48/70/54/525487054.db2.gz HBZUPZQYZTZPLI-MRXNPFEDSA-N 2 2 368.547 1.932 10 0 FDAELP CC(C)c1nc(N(C)CC2CC[NH+](C[C@H](C)O)CC2)nc(N(C)C)[nH+]1 ZINC000179303369 525554444 /nfs/dbraw/zinc/55/44/44/525554444.db2.gz IDOZQRMVBHYXAN-AWEZNQCLSA-N 2 2 350.511 1.590 10 0 FDAELP Cc1ccc(NC(=O)NC[C@H]2C[N@@H+](C)CCO2)c(OCC[NH+](C)C)c1 ZINC000154629507 525594538 /nfs/dbraw/zinc/59/45/38/525594538.db2.gz YYKNDUZPZWVYHT-HNNXBMFYSA-N 2 2 350.463 1.388 10 0 FDAELP C[C@@H]1C[C@@H](C)CN(C(=O)C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)C1 ZINC000106130271 525620954 /nfs/dbraw/zinc/62/09/54/525620954.db2.gz UDAARPRRSCTNOZ-QZTJIDSGSA-N 2 2 361.534 1.784 10 0 FDAELP C[C@@H]1C[C@@H](C)CN(C(=O)C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)C1 ZINC000106130271 525620958 /nfs/dbraw/zinc/62/09/58/525620958.db2.gz UDAARPRRSCTNOZ-QZTJIDSGSA-N 2 2 361.534 1.784 10 0 FDAELP Cc1cc(NC(=O)[C@H](C)[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)on1 ZINC000106129259 525621247 /nfs/dbraw/zinc/62/12/47/525621247.db2.gz RVJXOTLZOJEUNE-HNNXBMFYSA-N 2 2 360.462 1.603 10 0 FDAELP Cc1cc(NC(=O)[C@H](C)[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)on1 ZINC000106129259 525621254 /nfs/dbraw/zinc/62/12/54/525621254.db2.gz RVJXOTLZOJEUNE-HNNXBMFYSA-N 2 2 360.462 1.603 10 0 FDAELP C[C@H]([NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1)c1ccc(F)c(F)c1 ZINC000181866245 525962835 /nfs/dbraw/zinc/96/28/35/525962835.db2.gz JCSFTBJLKHBNLZ-ZDUSSCGKSA-N 2 2 355.429 1.842 10 0 FDAELP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)NCC(=O)OC(C)(C)C)C2)[nH+]1 ZINC000181901023 525975458 /nfs/dbraw/zinc/97/54/58/525975458.db2.gz QZUJLRNLLFOPOE-HNNXBMFYSA-N 2 2 362.474 1.582 10 0 FDAELP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)NCC(=O)OC(C)(C)C)C2)[nH+]1 ZINC000181901023 525975466 /nfs/dbraw/zinc/97/54/66/525975466.db2.gz QZUJLRNLLFOPOE-HNNXBMFYSA-N 2 2 362.474 1.582 10 0 FDAELP O=C(NCc1cc[nH+]c(N2CCOCC2)c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000171613917 526050669 /nfs/dbraw/zinc/05/06/69/526050669.db2.gz FLRASIHCJDRFFG-QGZVFWFLSA-N 2 2 359.474 1.298 10 0 FDAELP O=C(NCc1cc[nH+]c(N2CCOCC2)c1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000171613917 526050674 /nfs/dbraw/zinc/05/06/74/526050674.db2.gz FLRASIHCJDRFFG-QGZVFWFLSA-N 2 2 359.474 1.298 10 0 FDAELP Cn1c(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)nnc1C1CC1 ZINC000171940918 526187203 /nfs/dbraw/zinc/18/72/03/526187203.db2.gz ALMMIXROPIYMDO-UHFFFAOYSA-N 2 2 360.506 1.069 10 0 FDAELP CC[N@@H+]1CCC[C@H]([NH2+]C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)C1 ZINC000183712616 536034439 /nfs/dbraw/zinc/03/44/39/536034439.db2.gz SMIILOVISDFBCY-INIZCTEOSA-N 2 2 369.535 1.254 10 0 FDAELP CC[N@H+]1CCC[C@H]([NH2+]C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)C1 ZINC000183712616 536034442 /nfs/dbraw/zinc/03/44/42/536034442.db2.gz SMIILOVISDFBCY-INIZCTEOSA-N 2 2 369.535 1.254 10 0 FDAELP O=C(NC[C@H](c1ccccc1)[NH+]1CCOCC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246562714 536981158 /nfs/dbraw/zinc/98/11/58/536981158.db2.gz ZKVIIULEHMTDJK-VQTJNVASSA-N 2 2 372.513 1.940 10 0 FDAELP O=C(NC[C@H](c1ccccc1)[NH+]1CCOCC1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000246562714 536981163 /nfs/dbraw/zinc/98/11/63/536981163.db2.gz ZKVIIULEHMTDJK-VQTJNVASSA-N 2 2 372.513 1.940 10 0 FDAELP COC[C@H](C)NC(=O)NC(=O)C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189897916 537111864 /nfs/dbraw/zinc/11/18/64/537111864.db2.gz RGTDJCPYCZSWOR-KBPBESRZSA-N 2 2 359.430 1.384 10 0 FDAELP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000190076445 537135752 /nfs/dbraw/zinc/13/57/52/537135752.db2.gz CZEAADWJYQUEPF-RHSMWYFYSA-N 2 2 367.453 1.721 10 0 FDAELP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000190076445 537135753 /nfs/dbraw/zinc/13/57/53/537135753.db2.gz CZEAADWJYQUEPF-RHSMWYFYSA-N 2 2 367.453 1.721 10 0 FDAELP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000190355793 537167509 /nfs/dbraw/zinc/16/75/09/537167509.db2.gz YXLZULILBSPWJI-JKSUJKDBSA-N 2 2 368.441 1.291 10 0 FDAELP CC[C@@H]1CN(C(=O)NC[C@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000248428193 537180755 /nfs/dbraw/zinc/18/07/55/537180755.db2.gz ORBZFJUEJTZGPC-MOPGFXCFSA-N 2 2 360.502 1.623 10 0 FDAELP CC[C@@H]1CN(C(=O)NC[C@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1ccccc1 ZINC000248428193 537180757 /nfs/dbraw/zinc/18/07/57/537180757.db2.gz ORBZFJUEJTZGPC-MOPGFXCFSA-N 2 2 360.502 1.623 10 0 FDAELP CC[C@@H]1CN(C(=O)NC[C@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1ccccc1 ZINC000248428193 537180759 /nfs/dbraw/zinc/18/07/59/537180759.db2.gz ORBZFJUEJTZGPC-MOPGFXCFSA-N 2 2 360.502 1.623 10 0 FDAELP CC[C@@H]1CN(C(=O)NC[C@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1ccccc1 ZINC000248428193 537180760 /nfs/dbraw/zinc/18/07/60/537180760.db2.gz ORBZFJUEJTZGPC-MOPGFXCFSA-N 2 2 360.502 1.623 10 0 FDAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)CN2CCOCC2)C1 ZINC000248661255 537202307 /nfs/dbraw/zinc/20/23/07/537202307.db2.gz WZCJYNMCWJCCEB-WBVHZDCISA-N 2 2 352.548 1.926 10 0 FDAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)CN2CCOCC2)C1 ZINC000248661255 537202310 /nfs/dbraw/zinc/20/23/10/537202310.db2.gz WZCJYNMCWJCCEB-WBVHZDCISA-N 2 2 352.548 1.926 10 0 FDAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)CN2CCOCC2)C1 ZINC000248661255 537202313 /nfs/dbraw/zinc/20/23/13/537202313.db2.gz WZCJYNMCWJCCEB-WBVHZDCISA-N 2 2 352.548 1.926 10 0 FDAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)CN2CCOCC2)C1 ZINC000248661255 537202314 /nfs/dbraw/zinc/20/23/14/537202314.db2.gz WZCJYNMCWJCCEB-WBVHZDCISA-N 2 2 352.548 1.926 10 0 FDAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@@H](O)COC[C@@H]2CCCO2)C1 ZINC000248661741 537202995 /nfs/dbraw/zinc/20/29/95/537202995.db2.gz XKTJWOHZAUUCTR-ZCNNSNEGSA-N 2 2 363.502 1.392 10 0 FDAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@@H](O)COC[C@@H]2CCCO2)C1 ZINC000248661741 537202997 /nfs/dbraw/zinc/20/29/97/537202997.db2.gz XKTJWOHZAUUCTR-ZCNNSNEGSA-N 2 2 363.502 1.392 10 0 FDAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](C[C@@H](O)COC[C@@H]2CCCO2)C1 ZINC000248661741 537202998 /nfs/dbraw/zinc/20/29/98/537202998.db2.gz XKTJWOHZAUUCTR-ZCNNSNEGSA-N 2 2 363.502 1.392 10 0 FDAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](C[C@@H](O)COC[C@@H]2CCCO2)C1 ZINC000248661741 537203000 /nfs/dbraw/zinc/20/30/00/537203000.db2.gz XKTJWOHZAUUCTR-ZCNNSNEGSA-N 2 2 363.502 1.392 10 0 FDAELP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000248724609 537209024 /nfs/dbraw/zinc/20/90/24/537209024.db2.gz HRNNPAUXGHJPLW-VQTJNVASSA-N 2 2 372.513 1.625 10 0 FDAELP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000248724609 537209025 /nfs/dbraw/zinc/20/90/25/537209025.db2.gz HRNNPAUXGHJPLW-VQTJNVASSA-N 2 2 372.513 1.625 10 0 FDAELP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CCCNC(=O)[C@H]3C)CC2)cc1 ZINC000248999701 537224629 /nfs/dbraw/zinc/22/46/29/537224629.db2.gz HGFYZFDJCWRUTC-GOSISDBHSA-N 2 2 372.513 1.240 10 0 FDAELP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3CCCNC(=O)[C@H]3C)CC2)cc1 ZINC000248999701 537224631 /nfs/dbraw/zinc/22/46/31/537224631.db2.gz HGFYZFDJCWRUTC-GOSISDBHSA-N 2 2 372.513 1.240 10 0 FDAELP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CCCNC(=O)[C@H]3C)CC2)cc1 ZINC000248999701 537224633 /nfs/dbraw/zinc/22/46/33/537224633.db2.gz HGFYZFDJCWRUTC-GOSISDBHSA-N 2 2 372.513 1.240 10 0 FDAELP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CCCNC(=O)[C@H]3C)CC2)cc1 ZINC000248999701 537224635 /nfs/dbraw/zinc/22/46/35/537224635.db2.gz HGFYZFDJCWRUTC-GOSISDBHSA-N 2 2 372.513 1.240 10 0 FDAELP CCOCC[N@@H+]1CCN(c2cc(N3CCCC[C@H]3CO)[nH+]cn2)C[C@H]1C ZINC000249292493 537232328 /nfs/dbraw/zinc/23/23/28/537232328.db2.gz JIDDENYGYGAJPI-SJORKVTESA-N 2 2 363.506 1.375 10 0 FDAELP CCOCC[N@H+]1CCN(c2cc(N3CCCC[C@H]3CO)[nH+]cn2)C[C@H]1C ZINC000249292493 537232329 /nfs/dbraw/zinc/23/23/29/537232329.db2.gz JIDDENYGYGAJPI-SJORKVTESA-N 2 2 363.506 1.375 10 0 FDAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](CC(=O)NC(=O)NC2CC2)C1 ZINC000195262397 537380237 /nfs/dbraw/zinc/38/02/37/537380237.db2.gz DGSXHTSRBORSKF-ZDUSSCGKSA-N 2 2 365.503 1.193 10 0 FDAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)NC(=O)NC2CC2)C1 ZINC000195262397 537380247 /nfs/dbraw/zinc/38/02/47/537380247.db2.gz DGSXHTSRBORSKF-ZDUSSCGKSA-N 2 2 365.503 1.193 10 0 FDAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000195262397 537380258 /nfs/dbraw/zinc/38/02/58/537380258.db2.gz DGSXHTSRBORSKF-ZDUSSCGKSA-N 2 2 365.503 1.193 10 0 FDAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000195262397 537380267 /nfs/dbraw/zinc/38/02/67/537380267.db2.gz DGSXHTSRBORSKF-ZDUSSCGKSA-N 2 2 365.503 1.193 10 0 FDAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)CC1 ZINC000249579965 672572134 /nfs/dbraw/zinc/57/21/34/672572134.db2.gz QQNYPAAKZYJUDN-XIRDDKMYSA-N 2 2 351.516 1.308 10 0 FDAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)CC1 ZINC000249579965 672572135 /nfs/dbraw/zinc/57/21/35/672572135.db2.gz QQNYPAAKZYJUDN-XIRDDKMYSA-N 2 2 351.516 1.308 10 0 FDAELP CC(C)(C)c1csc([C@H]2C[N@H+](CCC(=O)N3CC[NH2+]CC3)CCO2)n1 ZINC000262086397 672723013 /nfs/dbraw/zinc/72/30/13/672723013.db2.gz LDKIVDWSWNFCAY-CQSZACIVSA-N 2 2 366.531 1.636 10 0 FDAELP CC(C)(C)c1csc([C@H]2C[N@@H+](CCC(=O)N3CC[NH2+]CC3)CCO2)n1 ZINC000262086397 672723017 /nfs/dbraw/zinc/72/30/17/672723017.db2.gz LDKIVDWSWNFCAY-CQSZACIVSA-N 2 2 366.531 1.636 10 0 FDAELP CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000236952551 178290555 /nfs/dbraw/zinc/29/05/55/178290555.db2.gz QBMDIDZUFVWZPG-RHSMWYFYSA-N 2 2 364.465 1.073 10 0 FDAELP [NH3+][C@H]1CC[C@@H](C(=O)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)C1 ZINC000237861530 178334252 /nfs/dbraw/zinc/33/42/52/178334252.db2.gz YAEBRDRYMIVKIF-ZBFHGGJFSA-N 2 2 351.878 1.990 10 0 FDAELP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000129449305 258262363 /nfs/dbraw/zinc/26/23/63/258262363.db2.gz WOSLVPDXPHNVJW-MRXNPFEDSA-N 2 2 370.457 1.442 10 0 FDAELP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000129449305 258262364 /nfs/dbraw/zinc/26/23/64/258262364.db2.gz WOSLVPDXPHNVJW-MRXNPFEDSA-N 2 2 370.457 1.442 10 0 FDAELP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000126694890 173050035 /nfs/dbraw/zinc/05/00/35/173050035.db2.gz BAXQHWWRLIJUAP-IEBWSBKVSA-N 2 2 360.502 1.623 10 0 FDAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000126694890 173050039 /nfs/dbraw/zinc/05/00/39/173050039.db2.gz BAXQHWWRLIJUAP-IEBWSBKVSA-N 2 2 360.502 1.623 10 0 FDAELP C[C@@H]1C[NH+](Cc2ccccc2)CCCN1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000126694890 173050042 /nfs/dbraw/zinc/05/00/42/173050042.db2.gz BAXQHWWRLIJUAP-IEBWSBKVSA-N 2 2 360.502 1.623 10 0 FDAELP C[C@@H]1C[NH+](Cc2ccccc2)CCCN1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000126694890 173050045 /nfs/dbraw/zinc/05/00/45/173050045.db2.gz BAXQHWWRLIJUAP-IEBWSBKVSA-N 2 2 360.502 1.623 10 0 FDAELP CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)C(=O)C[C@@H]1CSCC[NH2+]1 ZINC000133767138 173312583 /nfs/dbraw/zinc/31/25/83/173312583.db2.gz RYUGOLFOCRYQIH-CABCVRRESA-N 2 2 369.556 1.675 10 0 FDAELP C[N@@H+]1CC[C@@H](NC(=O)NC[C@@H]2C[NH+](C)CCO2)[C@H]1c1ccc(Cl)cc1 ZINC000134142220 173319457 /nfs/dbraw/zinc/31/94/57/173319457.db2.gz IYDPXDNJZPRUAZ-BRWVUGGUSA-N 2 2 366.893 1.715 10 0 FDAELP C[N@H+]1CC[C@@H](NC(=O)NC[C@@H]2C[NH+](C)CCO2)[C@H]1c1ccc(Cl)cc1 ZINC000134142220 173319458 /nfs/dbraw/zinc/31/94/58/173319458.db2.gz IYDPXDNJZPRUAZ-BRWVUGGUSA-N 2 2 366.893 1.715 10 0 FDAELP C[NH+]1CC[C@@H](NC(=O)NC[C@@H]2C[N@H+](C)CCO2)[C@H]1c1ccc(Cl)cc1 ZINC000134142220 173319460 /nfs/dbraw/zinc/31/94/60/173319460.db2.gz IYDPXDNJZPRUAZ-BRWVUGGUSA-N 2 2 366.893 1.715 10 0 FDAELP C[NH+]1CC[C@@H](NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)[C@H]1c1ccc(Cl)cc1 ZINC000134142220 173319461 /nfs/dbraw/zinc/31/94/61/173319461.db2.gz IYDPXDNJZPRUAZ-BRWVUGGUSA-N 2 2 366.893 1.715 10 0 FDAELP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)C1 ZINC000150780561 173381384 /nfs/dbraw/zinc/38/13/84/173381384.db2.gz MIABPKCPDREWEY-PBHICJAKSA-N 2 2 369.469 1.871 10 0 FDAELP C[C@@H]1CN(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1[NH+]1CCOCC1 ZINC000175615173 174015005 /nfs/dbraw/zinc/01/50/05/174015005.db2.gz MOOQRPXSSHUFPA-NZSAHSFTSA-N 2 2 360.502 1.651 10 0 FDAELP C[C@H]1CN(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)C[C@H]1[NH+]1CCOCC1 ZINC000175659705 174018434 /nfs/dbraw/zinc/01/84/34/174018434.db2.gz YKSHIHHJSKOMTH-FUHWJXTLSA-N 2 2 373.501 1.544 10 0 FDAELP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000177478883 174135445 /nfs/dbraw/zinc/13/54/45/174135445.db2.gz GWJIWSCPPUOQDZ-LJQANCHMSA-N 3 2 365.566 1.671 10 0 FDAELP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000177478883 174135447 /nfs/dbraw/zinc/13/54/47/174135447.db2.gz GWJIWSCPPUOQDZ-LJQANCHMSA-N 3 2 365.566 1.671 10 0 FDAELP O=C(CCN1CC[N@@H+]2CCCC[C@@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000177770362 174155900 /nfs/dbraw/zinc/15/59/00/174155900.db2.gz NTVLUTSEBDBGRT-GOSISDBHSA-N 2 2 357.502 1.290 10 0 FDAELP O=C(CCN1CC[N@H+]2CCCC[C@@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000177770362 174155903 /nfs/dbraw/zinc/15/59/03/174155903.db2.gz NTVLUTSEBDBGRT-GOSISDBHSA-N 2 2 357.502 1.290 10 0 FDAELP O=C(NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc2[nH+]ccn2c1 ZINC000178579311 174195239 /nfs/dbraw/zinc/19/52/39/174195239.db2.gz KQQUKYAMBMRWPN-SFHVURJKSA-N 2 2 350.422 1.483 10 0 FDAELP O=C(NC[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc2[nH+]ccn2c1 ZINC000178579311 174195240 /nfs/dbraw/zinc/19/52/40/174195240.db2.gz KQQUKYAMBMRWPN-SFHVURJKSA-N 2 2 350.422 1.483 10 0 FDAELP O[C@@H](COc1ccccc1)C[NH+]1CCN(Cc2cccc3[nH+]ccn32)CC1 ZINC000180132436 258362836 /nfs/dbraw/zinc/36/28/36/258362836.db2.gz PVTPABPSDTXSNN-LJQANCHMSA-N 2 2 366.465 1.892 10 0 FDAELP C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000173785407 258311055 /nfs/dbraw/zinc/31/10/55/258311055.db2.gz DAXGPQOSCLUUGO-MSOLQXFVSA-N 2 2 352.523 1.615 10 0 FDAELP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000173785407 258311056 /nfs/dbraw/zinc/31/10/56/258311056.db2.gz DAXGPQOSCLUUGO-MSOLQXFVSA-N 2 2 352.523 1.615 10 0 FDAELP Cc1ccc([C@H](CNC(=O)NC[C@H]2CCC[N@@H+]2C)[NH+]2CCOCC2)s1 ZINC000178606485 258329737 /nfs/dbraw/zinc/32/97/37/258329737.db2.gz RIABPFHELMLOMP-CVEARBPZSA-N 2 2 366.531 1.823 10 0 FDAELP Cc1nc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)c2c([nH+]1)CCCC2 ZINC000302035160 259037941 /nfs/dbraw/zinc/03/79/41/259037941.db2.gz FFJYCBZVNJBUMQ-GOSISDBHSA-N 2 2 373.545 1.895 10 0 FDAELP Cc1nc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)c2c([nH+]1)CCCC2 ZINC000302035160 259037942 /nfs/dbraw/zinc/03/79/42/259037942.db2.gz FFJYCBZVNJBUMQ-GOSISDBHSA-N 2 2 373.545 1.895 10 0 FDAELP NC(=O)C[N@@H+]1CCc2ccc(NC(=O)N3CC[NH+](C4CC4)CC3)cc2C1 ZINC000333401438 259343995 /nfs/dbraw/zinc/34/39/95/259343995.db2.gz FLWWYGUUXMIZJY-UHFFFAOYSA-N 2 2 357.458 1.892 10 0 FDAELP NC(=O)C[N@H+]1CCc2ccc(NC(=O)N3CC[NH+](C4CC4)CC3)cc2C1 ZINC000333401438 259343997 /nfs/dbraw/zinc/34/39/97/259343997.db2.gz FLWWYGUUXMIZJY-UHFFFAOYSA-N 2 2 357.458 1.892 10 0 FDAELP C[NH2+][C@@H](C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)c1cnn(C)c1 ZINC000262483092 519091710 /nfs/dbraw/zinc/09/17/10/519091710.db2.gz ZSJBWJYLULJDSS-GOSISDBHSA-N 2 2 357.458 1.194 10 0 FDAELP COc1ccc(F)c(C[N@@H+]2CCC[C@@]3(CC[NH+](C(CO)CO)C3)C2)c1 ZINC000072447255 522280699 /nfs/dbraw/zinc/28/06/99/522280699.db2.gz OZDGAXQGBKDCCQ-LJQANCHMSA-N 2 2 352.450 1.475 10 0 FDAELP COc1ccc(F)c(C[N@H+]2CCC[C@@]3(CC[NH+](C(CO)CO)C3)C2)c1 ZINC000072447255 522280706 /nfs/dbraw/zinc/28/07/06/522280706.db2.gz OZDGAXQGBKDCCQ-LJQANCHMSA-N 2 2 352.450 1.475 10 0 FDAELP COc1ccc(F)c(C[NH+]2CCC[C@@]3(CC[N@@H+](C(CO)CO)C3)C2)c1 ZINC000072447255 522280715 /nfs/dbraw/zinc/28/07/15/522280715.db2.gz OZDGAXQGBKDCCQ-LJQANCHMSA-N 2 2 352.450 1.475 10 0 FDAELP COc1ccc(F)c(C[NH+]2CCC[C@@]3(CC[N@H+](C(CO)CO)C3)C2)c1 ZINC000072447255 522280725 /nfs/dbraw/zinc/28/07/25/522280725.db2.gz OZDGAXQGBKDCCQ-LJQANCHMSA-N 2 2 352.450 1.475 10 0 FDAELP CCC(CC)[C@H](CNC(=O)NC[C@H](C)[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000077746725 523442983 /nfs/dbraw/zinc/44/29/83/523442983.db2.gz HSZZGVUCTKEUQE-WMZOPIPTSA-N 2 2 370.538 1.143 10 0 FDAELP C[C@@H](CNC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1)[NH+]1CCOCC1 ZINC000068581190 523828967 /nfs/dbraw/zinc/82/89/67/523828967.db2.gz FEVWMHTUFZTVEF-INIZCTEOSA-N 2 2 366.481 1.620 10 0 FDAELP CC(C)[NH+]1CCC(NC(=O)N2CC[NH+](C[C@H](O)c3ccccc3)CC2)CC1 ZINC000172115121 524121621 /nfs/dbraw/zinc/12/16/21/524121621.db2.gz SPLYURRPYNKZHL-FQEVSTJZSA-N 2 2 374.529 1.920 10 0 FDAELP COc1ccc(C[NH+]2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)cc1O ZINC000121042656 524136070 /nfs/dbraw/zinc/13/60/70/524136070.db2.gz SFOVFLCMFSBGMC-SFHVURJKSA-N 2 2 363.502 1.628 10 0 FDAELP COc1ccc(C[NH+]2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)cc1O ZINC000121042656 524136076 /nfs/dbraw/zinc/13/60/76/524136076.db2.gz SFOVFLCMFSBGMC-SFHVURJKSA-N 2 2 363.502 1.628 10 0 FDAELP COCC[N@@H+]1CCN(C(=O)NCCn2c(C)[nH+]c3ccccc32)C[C@H]1C ZINC000172322829 524202120 /nfs/dbraw/zinc/20/21/20/524202120.db2.gz UCYKSEBBPBNXTQ-OAHLLOKOSA-N 2 2 359.474 1.707 10 0 FDAELP COCC[N@H+]1CCN(C(=O)NCCn2c(C)[nH+]c3ccccc32)C[C@H]1C ZINC000172322829 524202126 /nfs/dbraw/zinc/20/21/26/524202126.db2.gz UCYKSEBBPBNXTQ-OAHLLOKOSA-N 2 2 359.474 1.707 10 0 FDAELP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(CC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC000173183033 524342102 /nfs/dbraw/zinc/34/21/02/524342102.db2.gz BCMXWILGCPOKGC-INIZCTEOSA-N 2 2 362.493 1.542 10 0 FDAELP CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000173829636 524463738 /nfs/dbraw/zinc/46/37/38/524463738.db2.gz YBVPPLYMVIDMFH-LSDHHAIUSA-N 2 2 363.510 1.517 10 0 FDAELP CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000173829636 524463744 /nfs/dbraw/zinc/46/37/44/524463744.db2.gz YBVPPLYMVIDMFH-LSDHHAIUSA-N 2 2 363.510 1.517 10 0 FDAELP CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000112921732 524596552 /nfs/dbraw/zinc/59/65/52/524596552.db2.gz IZUXOHUFXBFYCV-AZUAARDMSA-N 2 2 360.546 1.549 10 0 FDAELP CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000112921732 524596563 /nfs/dbraw/zinc/59/65/63/524596563.db2.gz IZUXOHUFXBFYCV-AZUAARDMSA-N 2 2 360.546 1.549 10 0 FDAELP CNc1cc(N2CCC[C@@H]2CNC(=O)N(CC[NH+](C)C)C(C)C)nc[nH+]1 ZINC000159285842 524634416 /nfs/dbraw/zinc/63/44/16/524634416.db2.gz KKADUUPHXJXFDT-OAHLLOKOSA-N 2 2 363.510 1.469 10 0 FDAELP CNc1cc(N2CCC[C@@H]2CNC(=O)N(CC[NH+](C)C)C(C)C)[nH+]cn1 ZINC000159285842 524634426 /nfs/dbraw/zinc/63/44/26/524634426.db2.gz KKADUUPHXJXFDT-OAHLLOKOSA-N 2 2 363.510 1.469 10 0 FDAELP C[C@@H](CNC(=O)CC[NH+]1CCN(c2ccccc2)CC1)[NH+]1CCOCC1 ZINC000174589924 524638536 /nfs/dbraw/zinc/63/85/36/524638536.db2.gz ZXGXUBOWGVYOCG-SFHVURJKSA-N 2 2 360.502 1.036 10 0 FDAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCCC[C@@H]2c2cn[nH]c2)C1 ZINC000114201591 524758655 /nfs/dbraw/zinc/75/86/55/524758655.db2.gz BAFRQKPZQPXUDM-ZWKOTPCHSA-N 2 2 363.506 1.410 10 0 FDAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCCC[C@@H]2c2cn[nH]c2)C1 ZINC000114201591 524758667 /nfs/dbraw/zinc/75/86/67/524758667.db2.gz BAFRQKPZQPXUDM-ZWKOTPCHSA-N 2 2 363.506 1.410 10 0 FDAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)C1 ZINC000114201591 524758678 /nfs/dbraw/zinc/75/86/78/524758678.db2.gz BAFRQKPZQPXUDM-ZWKOTPCHSA-N 2 2 363.506 1.410 10 0 FDAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)C1 ZINC000114201591 524758689 /nfs/dbraw/zinc/75/86/89/524758689.db2.gz BAFRQKPZQPXUDM-ZWKOTPCHSA-N 2 2 363.506 1.410 10 0 FDAELP Cc1c([C@@H]2CCC[N@@H+]2Cc2cnc(N3CC[NH+](C)CC3)nc2)cnn1C ZINC000091967550 524821716 /nfs/dbraw/zinc/82/17/16/524821716.db2.gz PBCOLZLKSZCFMU-SFHVURJKSA-N 2 2 355.490 1.607 10 0 FDAELP Cc1c([C@@H]2CCC[N@H+]2Cc2cnc(N3CC[NH+](C)CC3)nc2)cnn1C ZINC000091967550 524821725 /nfs/dbraw/zinc/82/17/25/524821725.db2.gz PBCOLZLKSZCFMU-SFHVURJKSA-N 2 2 355.490 1.607 10 0 FDAELP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000115713800 525049769 /nfs/dbraw/zinc/04/97/69/525049769.db2.gz DFAHOIAYRDATAF-RVKKMQEKSA-N 2 2 361.534 1.942 10 0 FDAELP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000115713800 525049776 /nfs/dbraw/zinc/04/97/76/525049776.db2.gz DFAHOIAYRDATAF-RVKKMQEKSA-N 2 2 361.534 1.942 10 0 FDAELP CC(C)CC(=O)N[C@@H](C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)C(C)C ZINC000177149609 525249189 /nfs/dbraw/zinc/24/91/89/525249189.db2.gz WEKUBDLQDNVORJ-GOSISDBHSA-N 2 2 354.539 1.316 10 0 FDAELP CC[C@@H]1CN(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)CC[N@@H+]1CCOC ZINC000117474389 525346264 /nfs/dbraw/zinc/34/62/64/525346264.db2.gz DTPIVXVWYSHKHY-MSOLQXFVSA-N 2 2 370.538 1.095 10 0 FDAELP CC[C@@H]1CN(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)CC[N@H+]1CCOC ZINC000117474389 525346273 /nfs/dbraw/zinc/34/62/73/525346273.db2.gz DTPIVXVWYSHKHY-MSOLQXFVSA-N 2 2 370.538 1.095 10 0 FDAELP COCC[N@@H+]1CCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)C[C@H]1C ZINC000117484597 525349985 /nfs/dbraw/zinc/34/99/85/525349985.db2.gz MAWDBJICJVXQOE-MRXNPFEDSA-N 2 2 357.458 1.734 10 0 FDAELP COCC[N@H+]1CCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)C[C@H]1C ZINC000117484597 525349994 /nfs/dbraw/zinc/34/99/94/525349994.db2.gz MAWDBJICJVXQOE-MRXNPFEDSA-N 2 2 357.458 1.734 10 0 FDAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+]([C@@H](C)C(=O)Nc3ccccc3)CC2)C1 ZINC000106123353 525618473 /nfs/dbraw/zinc/61/84/73/525618473.db2.gz IYYNSGQVCTYUBO-AZUAARDMSA-N 2 2 374.529 1.740 10 0 FDAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+]([C@@H](C)C(=O)Nc3ccccc3)CC2)C1 ZINC000106123353 525618479 /nfs/dbraw/zinc/61/84/79/525618479.db2.gz IYYNSGQVCTYUBO-AZUAARDMSA-N 2 2 374.529 1.740 10 0 FDAELP CC[C@@H]1CN(C(=O)NCc2[nH+]ccn2CC(C)C)CC[N@@H+]1C[C@@H](C)O ZINC000181834562 525948731 /nfs/dbraw/zinc/94/87/31/525948731.db2.gz ORHZLIZIHOYGHM-HZPDHXFCSA-N 2 2 351.495 1.526 10 0 FDAELP CC[C@@H]1CN(C(=O)NCc2[nH+]ccn2CC(C)C)CC[N@H+]1C[C@@H](C)O ZINC000181834562 525948737 /nfs/dbraw/zinc/94/87/37/525948737.db2.gz ORHZLIZIHOYGHM-HZPDHXFCSA-N 2 2 351.495 1.526 10 0 FDAELP O=C(CC[N@@H+]1CCC[C@@H](n2cncn2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000171701482 526081182 /nfs/dbraw/zinc/08/11/82/526081182.db2.gz SDOHBFQNPLVQCK-QGZVFWFLSA-N 2 2 369.473 1.049 10 0 FDAELP O=C(CC[N@H+]1CCC[C@@H](n2cncn2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000171701482 526081193 /nfs/dbraw/zinc/08/11/93/526081193.db2.gz SDOHBFQNPLVQCK-QGZVFWFLSA-N 2 2 369.473 1.049 10 0 FDAELP CCCC[N@@H+]1CCOC[C@H]1C(=O)NCC[NH+]1CCc2sccc2C1 ZINC000184307949 536130422 /nfs/dbraw/zinc/13/04/22/536130422.db2.gz IKBALJRJBQZPPT-INIZCTEOSA-N 2 2 351.516 1.723 10 0 FDAELP CCCC[N@H+]1CCOC[C@H]1C(=O)NCC[NH+]1CCc2sccc2C1 ZINC000184307949 536130425 /nfs/dbraw/zinc/13/04/25/536130425.db2.gz IKBALJRJBQZPPT-INIZCTEOSA-N 2 2 351.516 1.723 10 0 FDAELP CCCC[NH+]1CCOC[C@H]1C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000184307949 536130430 /nfs/dbraw/zinc/13/04/30/536130430.db2.gz IKBALJRJBQZPPT-INIZCTEOSA-N 2 2 351.516 1.723 10 0 FDAELP CCCC[NH+]1CCOC[C@H]1C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000184307949 536130435 /nfs/dbraw/zinc/13/04/35/536130435.db2.gz IKBALJRJBQZPPT-INIZCTEOSA-N 2 2 351.516 1.723 10 0 FDAELP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C[C@H]1C ZINC000185339957 536205983 /nfs/dbraw/zinc/20/59/83/536205983.db2.gz CCTJCCMTRWVZSH-IAGOWNOFSA-N 2 2 371.485 1.528 10 0 FDAELP C[C@@H](O)C[N@H+]1CCN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C[C@H]1C ZINC000185339957 536205984 /nfs/dbraw/zinc/20/59/84/536205984.db2.gz CCTJCCMTRWVZSH-IAGOWNOFSA-N 2 2 371.485 1.528 10 0 FDAELP [NH3+][C@@H]1CCC[C@H](C(=O)N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)C1 ZINC000246534792 536975338 /nfs/dbraw/zinc/97/53/38/536975338.db2.gz RZDCQGKWLFCADW-RCCFBDPRSA-N 2 2 361.486 1.088 10 0 FDAELP O=C(NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1)C1C[NH2+]C1 ZINC000263323417 537017318 /nfs/dbraw/zinc/01/73/18/537017318.db2.gz RYETYLMOZXUVPU-UHFFFAOYSA-N 2 2 369.444 1.383 10 0 FDAELP CCOCC[N@@H+]1CCN(C(=O)[C@H](C(C)C)[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000247046708 537074538 /nfs/dbraw/zinc/07/45/38/537074538.db2.gz JGFDETHPDDNVFQ-VJANTYMQSA-N 2 2 369.550 1.689 10 0 FDAELP CCOCC[N@H+]1CCN(C(=O)[C@H](C(C)C)[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000247046708 537074540 /nfs/dbraw/zinc/07/45/40/537074540.db2.gz JGFDETHPDDNVFQ-VJANTYMQSA-N 2 2 369.550 1.689 10 0 FDAELP CC[C@@H]1CN(C(=O)NC[C@H](c2ccco2)[NH+](C)C)CC[N@@H+]1CCOC ZINC000247105874 537082417 /nfs/dbraw/zinc/08/24/17/537082417.db2.gz MXZLYWBQHVIGEG-HZPDHXFCSA-N 2 2 352.479 1.635 10 0 FDAELP CC[C@@H]1CN(C(=O)NC[C@H](c2ccco2)[NH+](C)C)CC[N@H+]1CCOC ZINC000247105874 537082420 /nfs/dbraw/zinc/08/24/20/537082420.db2.gz MXZLYWBQHVIGEG-HZPDHXFCSA-N 2 2 352.479 1.635 10 0 FDAELP COCC[N@@H+]1CCN(C(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)C[C@H]1C ZINC000247148199 537087153 /nfs/dbraw/zinc/08/71/53/537087153.db2.gz PUARVTFRRMHSOE-QUCCMNQESA-N 2 2 374.529 1.154 10 0 FDAELP COCC[N@H+]1CCN(C(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)C[C@H]1C ZINC000247148199 537087155 /nfs/dbraw/zinc/08/71/55/537087155.db2.gz PUARVTFRRMHSOE-QUCCMNQESA-N 2 2 374.529 1.154 10 0 FDAELP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000247505744 537126638 /nfs/dbraw/zinc/12/66/38/537126638.db2.gz XXSUFWRWFQVJMN-NUJGCVRESA-N 2 2 370.563 1.222 10 0 FDAELP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000247505744 537126642 /nfs/dbraw/zinc/12/66/42/537126642.db2.gz XXSUFWRWFQVJMN-NUJGCVRESA-N 2 2 370.563 1.222 10 0 FDAELP C[C@@H]1C[N@@H+]([C@@H](CNC(=O)N2CC[C@@H]([NH+](C)C)C2)c2cccs2)CCO1 ZINC000248371821 537174147 /nfs/dbraw/zinc/17/41/47/537174147.db2.gz ZDCKTUOHTGRBIE-OAGGEKHMSA-N 2 2 366.531 1.855 10 0 FDAELP C[C@@H]1C[N@H+]([C@@H](CNC(=O)N2CC[C@@H]([NH+](C)C)C2)c2cccs2)CCO1 ZINC000248371821 537174149 /nfs/dbraw/zinc/17/41/49/537174149.db2.gz ZDCKTUOHTGRBIE-OAGGEKHMSA-N 2 2 366.531 1.855 10 0 FDAELP CCCCNC(=O)NC(=O)C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195281090 537389984 /nfs/dbraw/zinc/38/99/84/537389984.db2.gz HJVVKTPDJQSEFB-QGZVFWFLSA-N 2 2 361.490 1.461 10 0 FDAELP CCCCNC(=O)NC(=O)C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195281090 537389986 /nfs/dbraw/zinc/38/99/86/537389986.db2.gz HJVVKTPDJQSEFB-QGZVFWFLSA-N 2 2 361.490 1.461 10 0 FDAELP CCCCNC(=O)NC(=O)C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195281090 537389992 /nfs/dbraw/zinc/38/99/92/537389992.db2.gz HJVVKTPDJQSEFB-QGZVFWFLSA-N 2 2 361.490 1.461 10 0 FDAELP CCCCNC(=O)NC(=O)C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195281090 537389997 /nfs/dbraw/zinc/38/99/97/537389997.db2.gz HJVVKTPDJQSEFB-QGZVFWFLSA-N 2 2 361.490 1.461 10 0 FDAELP C[C@H]1C[N@H+](CCS(=O)(=O)c2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000631843539 558050431 /nfs/dbraw/zinc/05/04/31/558050431.db2.gz OZUJNSGYZKEXTO-NWDGAFQWSA-N 2 2 361.305 1.749 10 0 FDAELP C[C@H]1C[N@@H+](CCS(=O)(=O)c2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000631843539 558050432 /nfs/dbraw/zinc/05/04/32/558050432.db2.gz OZUJNSGYZKEXTO-NWDGAFQWSA-N 2 2 361.305 1.749 10 0 FDAELP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[N@H+](C)Cc2nnc(C3CC3)[nH]2)cc[nH+]1 ZINC000328655141 571326241 /nfs/dbraw/zinc/32/62/41/571326241.db2.gz YBCQASGUGVYZKP-KBPBESRZSA-N 2 2 374.468 1.587 10 0 FDAELP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[N@@H+](C)Cc2nnc(C3CC3)[nH]2)cc[nH+]1 ZINC000328655141 571326242 /nfs/dbraw/zinc/32/62/42/571326242.db2.gz YBCQASGUGVYZKP-KBPBESRZSA-N 2 2 374.468 1.587 10 0 FDAELP O=S(=O)(CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)c1ccc(Cl)cc1 ZINC000261839774 672680985 /nfs/dbraw/zinc/68/09/85/672680985.db2.gz AHZSQDIOUFNCOJ-BBWFWOEESA-N 2 2 372.918 1.860 10 0 FDAELP O=S(=O)(CC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)Cc1ccccc1 ZINC000262023954 672714084 /nfs/dbraw/zinc/71/40/84/672714084.db2.gz WVDBWAKOBUFERM-KZNAEPCWSA-N 2 2 352.500 1.348 10 0 FDAELP