smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N@@H+](CC1CCN(c2ccccn2)CC1)[C@@H](C)C(=O)NCCCOC ZINC000160019351 546001433 /nfs/dbraw/zinc/00/14/33/546001433.db2.gz IBXOTSPTZLSMJZ-KRWDZBQOSA-N 2 1 362.518 2.161 20 70 FEIDMP CC[N@@H+](CC1CCN(c2ccccn2)CC1)[C@@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000160051348 546003487 /nfs/dbraw/zinc/00/34/87/546003487.db2.gz HNXOGTMJNQKKNI-HKUYNNGSSA-N 2 1 374.529 2.304 20 70 FEIDMP Cc1csc(N2CCC([NH2+]CCCC[N@H+]3CCC[C@@H]3CO)CC2)n1 ZINC000160682774 546062743 /nfs/dbraw/zinc/06/27/43/546062743.db2.gz ZPTOZRIBMDLAPL-QGZVFWFLSA-N 2 1 352.548 2.247 20 70 FEIDMP COc1cccc2c(N3CCC([N@@H+]4CCC[C@@H]4C(N)=O)CC3)cc(C)[nH+]c12 ZINC000160804628 546074278 /nfs/dbraw/zinc/07/42/78/546074278.db2.gz FWONIIVXETWFEI-QGZVFWFLSA-N 2 1 368.481 2.470 20 70 FEIDMP COc1cccc2c(N3CCC([N@H+]4CCC[C@@H]4C(N)=O)CC3)cc(C)[nH+]c12 ZINC000160804628 546074282 /nfs/dbraw/zinc/07/42/82/546074282.db2.gz FWONIIVXETWFEI-QGZVFWFLSA-N 2 1 368.481 2.470 20 70 FEIDMP Cc1cccc(NC[C@@H]2CC[N@H+]([C@@H]3CCCN(c4cnn(C)c4)C3=O)C2)[nH+]1 ZINC000160092284 546006457 /nfs/dbraw/zinc/00/64/57/546006457.db2.gz CEQAASSUKADWKN-FUHWJXTLSA-N 2 1 368.485 2.053 20 70 FEIDMP C[NH+]1CCC(N(Cc2ccco2)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000160638400 546059233 /nfs/dbraw/zinc/05/92/33/546059233.db2.gz ZNXSVQWIHLHRKI-KRWDZBQOSA-N 2 1 360.502 2.370 20 70 FEIDMP CC(=O)Nc1ccccc1CNC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000160252289 546022601 /nfs/dbraw/zinc/02/26/01/546022601.db2.gz IROMNQWQYPXLLH-HXUWFJFHSA-N 2 1 353.466 2.154 20 70 FEIDMP CC(=O)Nc1ccccc1C[NH2+]C[C@@H](O)CN1CCc2ccccc2C1 ZINC000160252289 546022604 /nfs/dbraw/zinc/02/26/04/546022604.db2.gz IROMNQWQYPXLLH-HXUWFJFHSA-N 2 1 353.466 2.154 20 70 FEIDMP CC(C)[N@@H+](CCc1nccs1)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000159942374 545994070 /nfs/dbraw/zinc/99/40/70/545994070.db2.gz JYTGNDDELCUGNR-UHFFFAOYSA-N 2 1 352.548 2.385 20 70 FEIDMP C[NH+](C)C1CCN(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000160187791 546015372 /nfs/dbraw/zinc/01/53/72/546015372.db2.gz JOMPUQVXDMXNAB-UHFFFAOYSA-N 3 1 358.574 2.309 20 70 FEIDMP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000160658060 546060488 /nfs/dbraw/zinc/06/04/88/546060488.db2.gz IPNBOPNTLROJHF-IBGZPJMESA-N 2 1 362.493 2.383 20 70 FEIDMP CC[N@H+]1CCC[C@@H](NC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000160794733 546073373 /nfs/dbraw/zinc/07/33/73/546073373.db2.gz JBAYDAXXFCQSDA-GOSISDBHSA-N 2 1 359.518 2.424 20 70 FEIDMP C[NH+](C)CCN(Cc1ccccn1)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000160796214 546073026 /nfs/dbraw/zinc/07/30/26/546073026.db2.gz KVKBXYQLRVYRKU-GOSISDBHSA-N 2 1 359.518 2.172 20 70 FEIDMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000160427087 546039594 /nfs/dbraw/zinc/03/95/94/546039594.db2.gz IYYNVUPJWSFOKT-MDZRGWNJSA-N 2 1 365.543 2.289 20 70 FEIDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000160427087 546039598 /nfs/dbraw/zinc/03/95/98/546039598.db2.gz IYYNVUPJWSFOKT-MDZRGWNJSA-N 2 1 365.543 2.289 20 70 FEIDMP C[C@@]1(CNC(=O)NCCC[NH+]2CCOCC2)CCC[N@@H+]1Cc1ccccc1 ZINC000161134306 546102717 /nfs/dbraw/zinc/10/27/17/546102717.db2.gz SGRKQLCIBKZFLO-NRFANRHFSA-N 2 1 374.529 2.063 20 70 FEIDMP C[C@@]1(CNC(=O)NCCC[NH+]2CCOCC2)CCC[N@H+]1Cc1ccccc1 ZINC000161134306 546102723 /nfs/dbraw/zinc/10/27/23/546102723.db2.gz SGRKQLCIBKZFLO-NRFANRHFSA-N 2 1 374.529 2.063 20 70 FEIDMP CC[N@@H+](C)CCNC(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000160133709 546010091 /nfs/dbraw/zinc/01/00/91/546010091.db2.gz PIAOWEHPBQCQQJ-JKSUJKDBSA-N 2 1 356.873 2.475 20 70 FEIDMP C[C@@H]1C[C@@H](NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)C[N@H+]1Cc1ccccc1 ZINC000160271458 546025499 /nfs/dbraw/zinc/02/54/99/546025499.db2.gz MRRKZTZWNARWQB-RLLQIKCJSA-N 2 1 354.498 2.305 20 70 FEIDMP FC(F)CN1CCC([NH2+]Cc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000160463562 546043209 /nfs/dbraw/zinc/04/32/09/546043209.db2.gz JEMGOKDXQYOVNC-UHFFFAOYSA-N 2 1 353.457 2.338 20 70 FEIDMP CN(CC[N@H+]1CCCC[C@@H](N2CCN(C)CC2)C1)Cc1ccc(F)cc1 ZINC000160877698 546080306 /nfs/dbraw/zinc/08/03/06/546080306.db2.gz PMVKZGRJSZSCMN-OAQYLSRUSA-N 2 1 362.537 2.359 20 70 FEIDMP CN(CC[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1)Cc1ccc(F)cc1 ZINC000160877698 546080307 /nfs/dbraw/zinc/08/03/07/546080307.db2.gz PMVKZGRJSZSCMN-OAQYLSRUSA-N 2 1 362.537 2.359 20 70 FEIDMP CN(CC[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1)Cc1ccc(F)cc1 ZINC000160877698 546080310 /nfs/dbraw/zinc/08/03/10/546080310.db2.gz PMVKZGRJSZSCMN-OAQYLSRUSA-N 2 1 362.537 2.359 20 70 FEIDMP C[C@@H]1C[C@H](NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)C[N@H+]1Cc1ccccc1 ZINC000160271227 546026339 /nfs/dbraw/zinc/02/63/39/546026339.db2.gz MRRKZTZWNARWQB-HOJAQTOUSA-N 2 1 354.498 2.305 20 70 FEIDMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cnc4ccccn34)CC2)CC1 ZINC000160303823 546028840 /nfs/dbraw/zinc/02/88/40/546028840.db2.gz YWNNXUBGZSACQV-UHFFFAOYSA-N 2 1 369.513 2.101 20 70 FEIDMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CC[NH+](C)C[C@@H]2C(C)C)[C@H](C)C1 ZINC000160153518 546012628 /nfs/dbraw/zinc/01/26/28/546012628.db2.gz AKERSQLFMPKQMK-CEXWTWQISA-N 2 1 368.566 2.105 20 70 FEIDMP CCOCCC[NH+]1CC[C@H](NC(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)[C@H](C)C1 ZINC000160153518 546012633 /nfs/dbraw/zinc/01/26/33/546012633.db2.gz AKERSQLFMPKQMK-CEXWTWQISA-N 2 1 368.566 2.105 20 70 FEIDMP CCOCCC[NH+]1CC[C@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)[C@H](C)C1 ZINC000160153518 546012637 /nfs/dbraw/zinc/01/26/37/546012637.db2.gz AKERSQLFMPKQMK-CEXWTWQISA-N 2 1 368.566 2.105 20 70 FEIDMP CC(C)[C@H](C(=O)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)[NH+]1CCCCC1 ZINC000160549468 546051383 /nfs/dbraw/zinc/05/13/83/546051383.db2.gz YRKODDNTMOSDHR-QHAWAJNXSA-N 2 1 373.541 2.249 20 70 FEIDMP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000160691653 546063214 /nfs/dbraw/zinc/06/32/14/546063214.db2.gz SENBQLOTSNASGL-IBGZPJMESA-N 2 1 362.493 2.383 20 70 FEIDMP CN(CC[N@H+]1CCCC[C@H](N2CCN(C)CC2)C1)Cc1ccc(F)cc1 ZINC000160877820 546079991 /nfs/dbraw/zinc/07/99/91/546079991.db2.gz PMVKZGRJSZSCMN-NRFANRHFSA-N 2 1 362.537 2.359 20 70 FEIDMP CN(CC[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1)Cc1ccc(F)cc1 ZINC000160877820 546079997 /nfs/dbraw/zinc/07/99/97/546079997.db2.gz PMVKZGRJSZSCMN-NRFANRHFSA-N 2 1 362.537 2.359 20 70 FEIDMP CN(CC[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1)Cc1ccc(F)cc1 ZINC000160877820 546080002 /nfs/dbraw/zinc/08/00/02/546080002.db2.gz PMVKZGRJSZSCMN-NRFANRHFSA-N 2 1 362.537 2.359 20 70 FEIDMP CC[NH+]1CCN(c2ccc(C(=O)NCC3([NH3+])CCCCC3)cc2F)CC1 ZINC000159575880 545964496 /nfs/dbraw/zinc/96/44/96/545964496.db2.gz ZZUFFWGCHSMBOA-UHFFFAOYSA-N 2 1 362.493 2.359 20 70 FEIDMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1)C(C)C ZINC000160268961 546023788 /nfs/dbraw/zinc/02/37/88/546023788.db2.gz OTGUWTXFCUONCZ-HXUWFJFHSA-N 2 1 361.530 2.494 20 70 FEIDMP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000160664991 546060984 /nfs/dbraw/zinc/06/09/84/546060984.db2.gz OITXXOWLBQWKEM-HUUCEWRRSA-N 2 1 368.909 2.279 20 70 FEIDMP CC[N@@H+](Cc1ccc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1)C1CC1 ZINC000160187405 546015613 /nfs/dbraw/zinc/01/56/13/546015613.db2.gz SNVIHXIHFSYSBD-FQEVSTJZSA-N 2 1 359.514 2.248 20 70 FEIDMP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000159385690 545948518 /nfs/dbraw/zinc/94/85/18/545948518.db2.gz GKTDSXMSEWYJHN-KRWDZBQOSA-N 2 1 362.543 2.123 20 70 FEIDMP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000159628133 545968231 /nfs/dbraw/zinc/96/82/31/545968231.db2.gz XFGHVXLSXZDIMW-MRXNPFEDSA-N 2 1 371.497 2.292 20 70 FEIDMP CC(C)[C@H](C(=O)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)[NH+]1CCCCC1 ZINC000160549219 546051601 /nfs/dbraw/zinc/05/16/01/546051601.db2.gz YRKODDNTMOSDHR-PCCBWWKXSA-N 2 1 373.541 2.249 20 70 FEIDMP C[NH+](C)CCN(Cc1ccccn1)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000160796350 546073737 /nfs/dbraw/zinc/07/37/37/546073737.db2.gz KVKBXYQLRVYRKU-SFHVURJKSA-N 2 1 359.518 2.172 20 70 FEIDMP CCOCC[N@H+]1CCN(C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)C[C@@H]1CC ZINC000160808314 546074171 /nfs/dbraw/zinc/07/41/71/546074171.db2.gz BPNFPZMEHCUIFI-MSOLQXFVSA-N 2 1 366.550 2.146 20 70 FEIDMP CCOCC[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)C[C@@H]1CC ZINC000160808314 546074174 /nfs/dbraw/zinc/07/41/74/546074174.db2.gz BPNFPZMEHCUIFI-MSOLQXFVSA-N 2 1 366.550 2.146 20 70 FEIDMP CCOCC[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)C[C@@H]1CC ZINC000160808314 546074177 /nfs/dbraw/zinc/07/41/77/546074177.db2.gz BPNFPZMEHCUIFI-MSOLQXFVSA-N 2 1 366.550 2.146 20 70 FEIDMP CCOCC[NH+]1CCN(C(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000160036760 546001777 /nfs/dbraw/zinc/00/17/77/546001777.db2.gz WZBVUHYMZIDEIG-QUCCMNQESA-N 2 1 374.529 2.013 20 70 FEIDMP CCOCC[NH+]1CCN(C(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000160036760 546001782 /nfs/dbraw/zinc/00/17/82/546001782.db2.gz WZBVUHYMZIDEIG-QUCCMNQESA-N 2 1 374.529 2.013 20 70 FEIDMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000160709606 546064561 /nfs/dbraw/zinc/06/45/61/546064561.db2.gz CXDYPRHZQXWEEJ-GOEBONIOSA-N 2 1 372.506 2.117 20 70 FEIDMP CCC[C@H]1CN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC[N@H+]1CCOC ZINC000160701158 546065289 /nfs/dbraw/zinc/06/52/89/546065289.db2.gz AOIWATGCRSMRRQ-SFHVURJKSA-N 2 1 368.566 2.392 20 70 FEIDMP CC(C)[C@H](CNC(=O)N1CCC(CCC[NH+](C)C)CC1)[NH+]1CCOCC1 ZINC000160120016 546009376 /nfs/dbraw/zinc/00/93/76/546009376.db2.gz ZJRZOVXQGGWRAC-IBGZPJMESA-N 2 1 368.566 2.107 20 70 FEIDMP Cc1c([C@H]2CCC[N@@H+]2CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cnn1C ZINC000160187588 546015280 /nfs/dbraw/zinc/01/52/80/546015280.db2.gz YZVZXBBJNSTGLG-UXHICEINSA-N 2 1 369.513 2.285 20 70 FEIDMP Cc1c([C@H]2CCC[N@H+]2CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cnn1C ZINC000160187588 546015284 /nfs/dbraw/zinc/01/52/84/546015284.db2.gz YZVZXBBJNSTGLG-UXHICEINSA-N 2 1 369.513 2.285 20 70 FEIDMP CC[N@H+](CCc1nccs1)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000159507876 545959521 /nfs/dbraw/zinc/95/95/21/545959521.db2.gz ZZUKVSMKDGLICH-KRWDZBQOSA-N 2 1 360.527 2.427 20 70 FEIDMP CC[N@@H+](CCc1nccs1)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000159507876 545959524 /nfs/dbraw/zinc/95/95/24/545959524.db2.gz ZZUKVSMKDGLICH-KRWDZBQOSA-N 2 1 360.527 2.427 20 70 FEIDMP C[C@H]1CCC[N@@H+](CCNC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)C1 ZINC000159542755 545961539 /nfs/dbraw/zinc/96/15/39/545961539.db2.gz ABGIOALSBAWZAW-SFHVURJKSA-N 2 1 373.541 2.353 20 70 FEIDMP C[NH+](C)CCN(Cc1ccccc1F)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000160761052 546070029 /nfs/dbraw/zinc/07/00/29/546070029.db2.gz GCZYQUFEZVSIHL-GOSISDBHSA-N 2 1 362.493 2.383 20 70 FEIDMP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)CC1 ZINC000161175559 546106723 /nfs/dbraw/zinc/10/67/23/546106723.db2.gz PIOIJZARJBEJEQ-FXAWDEMLSA-N 2 1 371.529 2.487 20 70 FEIDMP CC[N@H+]1CCCN(C(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)CC1 ZINC000161185106 546107794 /nfs/dbraw/zinc/10/77/94/546107794.db2.gz ZKPBFALUAWXSAU-QGZVFWFLSA-N 2 1 359.518 2.344 20 70 FEIDMP CCCC[NH+]1CCC(NC(=O)N2CC[N@@H+](CCOC)[C@@H](CCC)C2)CC1 ZINC000161427046 546129932 /nfs/dbraw/zinc/12/99/32/546129932.db2.gz XJEOALMJBPLQOH-IBGZPJMESA-N 2 1 368.566 2.393 20 70 FEIDMP CC(C)C[C@@H](CNC(=O)N(CC[NH+](C)C)C1CCCC1)[NH+]1CCOCC1 ZINC000159870224 326945047 /nfs/dbraw/zinc/94/50/47/326945047.db2.gz BFLDZKZLJIWPPT-IBGZPJMESA-N 2 1 368.566 2.249 20 70 FEIDMP CCC[C@H]1CN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC[N@H+]1CCOC ZINC000159660475 545971228 /nfs/dbraw/zinc/97/12/28/545971228.db2.gz UXUHJDWUXYBECV-KRWDZBQOSA-N 2 1 368.566 2.438 20 70 FEIDMP CCOCC[NH+]1CCN(C(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000160036505 546002371 /nfs/dbraw/zinc/00/23/71/546002371.db2.gz WZBVUHYMZIDEIG-ICSRJNTNSA-N 2 1 374.529 2.013 20 70 FEIDMP CCOCC[NH+]1CCN(C(=O)N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000160036505 546002373 /nfs/dbraw/zinc/00/23/73/546002373.db2.gz WZBVUHYMZIDEIG-ICSRJNTNSA-N 2 1 374.529 2.013 20 70 FEIDMP CC[N@H+]1CCCN(C(=O)NC2CCN(c3ccc(N(C)C)cc3)CC2)CC1 ZINC000159913816 545991508 /nfs/dbraw/zinc/99/15/08/545991508.db2.gz KAKGBDXOEGJHNX-UHFFFAOYSA-N 2 1 373.545 2.459 20 70 FEIDMP CC[N@@H+](C)[C@H](C(=O)N(C)CC(C)(C)CN1CCOCC1)c1ccccc1 ZINC000159998365 545997978 /nfs/dbraw/zinc/99/79/78/545997978.db2.gz QDTWBQFMIAIKTF-IBGZPJMESA-N 2 1 361.530 2.496 20 70 FEIDMP Cc1nccn1CCC[N@H+](C)[C@@H]1CC(=O)N(CCc2ccccc2F)C1=O ZINC000160261579 546023229 /nfs/dbraw/zinc/02/32/29/546023229.db2.gz PICNOGZIIZQKSJ-GOSISDBHSA-N 2 1 372.444 2.023 20 70 FEIDMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H]1CC(=O)N(CCc2ccccc2F)C1=O ZINC000160261579 546023236 /nfs/dbraw/zinc/02/32/36/546023236.db2.gz PICNOGZIIZQKSJ-GOSISDBHSA-N 2 1 372.444 2.023 20 70 FEIDMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H]1CC(=O)N(CCc2ccccc2F)C1=O ZINC000160261579 546023241 /nfs/dbraw/zinc/02/32/41/546023241.db2.gz PICNOGZIIZQKSJ-GOSISDBHSA-N 2 1 372.444 2.023 20 70 FEIDMP CC[N@H+]1CCCN(C(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)CC1 ZINC000161185017 546108107 /nfs/dbraw/zinc/10/81/07/546108107.db2.gz ZKPBFALUAWXSAU-KRWDZBQOSA-N 2 1 359.518 2.344 20 70 FEIDMP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000161259545 546114320 /nfs/dbraw/zinc/11/43/20/546114320.db2.gz QOLJZCBZNAXXFI-AHRSYUTCSA-N 2 1 371.529 2.485 20 70 FEIDMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000160127302 546010553 /nfs/dbraw/zinc/01/05/53/546010553.db2.gz NFPQNSNRLMSLLR-SFHVURJKSA-N 2 1 350.482 2.369 20 70 FEIDMP CCC[C@@H]1CN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC[N@H+]1CCOC ZINC000159660333 545971119 /nfs/dbraw/zinc/97/11/19/545971119.db2.gz UXUHJDWUXYBECV-QGZVFWFLSA-N 2 1 368.566 2.438 20 70 FEIDMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000160427336 546039728 /nfs/dbraw/zinc/03/97/28/546039728.db2.gz IYYNVUPJWSFOKT-GPMSIDNRSA-N 2 1 365.543 2.289 20 70 FEIDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000160427336 546039733 /nfs/dbraw/zinc/03/97/33/546039733.db2.gz IYYNVUPJWSFOKT-GPMSIDNRSA-N 2 1 365.543 2.289 20 70 FEIDMP CC[C@@H](C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1)[NH+](C)C ZINC000159593733 545965417 /nfs/dbraw/zinc/96/54/17/545965417.db2.gz NWTBNSIFWHLACS-MSOLQXFVSA-N 2 1 360.502 2.132 20 70 FEIDMP CCC[C@@H]1CN(C(=O)N[C@@H](C)C[NH+]2CCCCC2)CC[N@H+]1CCOC ZINC000160320638 546029745 /nfs/dbraw/zinc/02/97/45/546029745.db2.gz HBTVUVHPKYMINE-ZWKOTPCHSA-N 2 1 354.539 2.003 20 70 FEIDMP C[NH+]1CCC(N(Cc2ccco2)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000160638291 546059017 /nfs/dbraw/zinc/05/90/17/546059017.db2.gz ZNXSVQWIHLHRKI-QGZVFWFLSA-N 2 1 360.502 2.370 20 70 FEIDMP C[C@@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000161006055 326984882 /nfs/dbraw/zinc/98/48/82/326984882.db2.gz UQTDTSASCKACPS-OIISXLGYSA-N 2 1 353.532 2.460 20 70 FEIDMP CC[N@H+]1CCCN(C(=O)NC[C@H]2CC[NH+](CCc3ccccc3)C2)CC1 ZINC000159817512 545983292 /nfs/dbraw/zinc/98/32/92/545983292.db2.gz VGPUTVCIRGGPLQ-HXUWFJFHSA-N 2 1 358.530 2.288 20 70 FEIDMP CC[NH+]1CCCN(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000159817512 545983297 /nfs/dbraw/zinc/98/32/97/545983297.db2.gz VGPUTVCIRGGPLQ-HXUWFJFHSA-N 2 1 358.530 2.288 20 70 FEIDMP CC[NH+]1CCCN(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000159817512 545983302 /nfs/dbraw/zinc/98/33/02/545983302.db2.gz VGPUTVCIRGGPLQ-HXUWFJFHSA-N 2 1 358.530 2.288 20 70 FEIDMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000160779879 546071097 /nfs/dbraw/zinc/07/10/97/546071097.db2.gz RHKJWXNLSOXIIG-MOPGFXCFSA-N 2 1 370.497 2.148 20 70 FEIDMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000160779879 546071102 /nfs/dbraw/zinc/07/11/02/546071102.db2.gz RHKJWXNLSOXIIG-MOPGFXCFSA-N 2 1 370.497 2.148 20 70 FEIDMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H](C)O1 ZINC000161101467 546100726 /nfs/dbraw/zinc/10/07/26/546100726.db2.gz BAOCLRLYSNVVFM-QKLQHJQFSA-N 2 1 359.514 2.462 20 70 FEIDMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H](C)O1 ZINC000161101467 546100730 /nfs/dbraw/zinc/10/07/30/546100730.db2.gz BAOCLRLYSNVVFM-QKLQHJQFSA-N 2 1 359.514 2.462 20 70 FEIDMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000217034704 548679746 /nfs/dbraw/zinc/67/97/46/548679746.db2.gz QQTRYTPJQPWQKL-CEXWTWQISA-N 2 1 368.566 2.440 20 70 FEIDMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000217034704 548679748 /nfs/dbraw/zinc/67/97/48/548679748.db2.gz QQTRYTPJQPWQKL-CEXWTWQISA-N 2 1 368.566 2.440 20 70 FEIDMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000217034704 548679750 /nfs/dbraw/zinc/67/97/50/548679750.db2.gz QQTRYTPJQPWQKL-CEXWTWQISA-N 2 1 368.566 2.440 20 70 FEIDMP CCc1nn(C)c(CC)c1C[NH2+]C[C@@H](O)CN1CCc2ccccc2C1 ZINC000159952313 545995112 /nfs/dbraw/zinc/99/51/12/545995112.db2.gz UCRLZRRKWLHIJU-GOSISDBHSA-N 2 1 356.514 2.054 20 70 FEIDMP CC[N@@H+](CC1CCN(c2ccccn2)CC1)[C@H](C)C(=O)Nc1ncccn1 ZINC000160026040 546000515 /nfs/dbraw/zinc/00/05/15/546000515.db2.gz XNZAWTPLIPKADJ-MRXNPFEDSA-N 2 1 368.485 2.437 20 70 FEIDMP CC[C@H](C)[N@H+](C)CC[NH2+]C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000160086103 546006979 /nfs/dbraw/zinc/00/69/79/546006979.db2.gz WJEGHKZBDBFEQR-KRWDZBQOSA-N 2 1 367.559 2.468 20 70 FEIDMP CC[C@H](C)[N@@H+](C)CC[NH2+]C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000160086103 546006983 /nfs/dbraw/zinc/00/69/83/546006983.db2.gz WJEGHKZBDBFEQR-KRWDZBQOSA-N 2 1 367.559 2.468 20 70 FEIDMP C[C@]1(CNC(=O)NCCC[NH+]2CCOCC2)CCC[N@@H+]1Cc1ccccc1 ZINC000161134177 546102809 /nfs/dbraw/zinc/10/28/09/546102809.db2.gz SGRKQLCIBKZFLO-OAQYLSRUSA-N 2 1 374.529 2.063 20 70 FEIDMP C[C@]1(CNC(=O)NCCC[NH+]2CCOCC2)CCC[N@H+]1Cc1ccccc1 ZINC000161134177 546102814 /nfs/dbraw/zinc/10/28/14/546102814.db2.gz SGRKQLCIBKZFLO-OAQYLSRUSA-N 2 1 374.529 2.063 20 70 FEIDMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000159936194 545993403 /nfs/dbraw/zinc/99/34/03/545993403.db2.gz PJXZGEBIIYNWIK-HOJAQTOUSA-N 2 1 356.514 2.387 20 70 FEIDMP CCNC(=O)c1cccc(C[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)c1 ZINC000160193266 546015770 /nfs/dbraw/zinc/01/57/70/546015770.db2.gz RIAHLWMXTDPBQN-FFZOFVMBSA-N 2 1 359.514 2.415 20 70 FEIDMP CCNC(=O)c1cccc(C[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)c1 ZINC000160193266 546015772 /nfs/dbraw/zinc/01/57/72/546015772.db2.gz RIAHLWMXTDPBQN-FFZOFVMBSA-N 2 1 359.514 2.415 20 70 FEIDMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000161301215 546118329 /nfs/dbraw/zinc/11/83/29/546118329.db2.gz KXYJEJKVUMMGGG-CQSZACIVSA-N 2 1 350.488 2.312 20 70 FEIDMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000161301215 546118332 /nfs/dbraw/zinc/11/83/32/546118332.db2.gz KXYJEJKVUMMGGG-CQSZACIVSA-N 2 1 350.488 2.312 20 70 FEIDMP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CC[NH+](C3CC3)CC2)CC1 ZINC000161276110 326994251 /nfs/dbraw/zinc/99/42/51/326994251.db2.gz LRSQNJIURQRXNV-INIZCTEOSA-N 2 1 357.502 2.097 20 70 FEIDMP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000159385556 545948574 /nfs/dbraw/zinc/94/85/74/545948574.db2.gz GKTDSXMSEWYJHN-QGZVFWFLSA-N 2 1 362.543 2.123 20 70 FEIDMP C[N@@H+](CCN1CCN(C[C@@H]2CCCC[NH+]2C)CC1)Cc1ccc(F)cc1 ZINC000159554190 545962480 /nfs/dbraw/zinc/96/24/80/545962480.db2.gz DIVMGRGJTBRHSS-NRFANRHFSA-N 2 1 362.537 2.359 20 70 FEIDMP C[NH+](CCN1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)Cc1ccc(F)cc1 ZINC000159554190 545962483 /nfs/dbraw/zinc/96/24/83/545962483.db2.gz DIVMGRGJTBRHSS-NRFANRHFSA-N 2 1 362.537 2.359 20 70 FEIDMP C[NH+](CCN1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)Cc1ccc(F)cc1 ZINC000159554190 545962485 /nfs/dbraw/zinc/96/24/85/545962485.db2.gz DIVMGRGJTBRHSS-NRFANRHFSA-N 2 1 362.537 2.359 20 70 FEIDMP CC[N@H+]1CCCN(C(=O)NCc2nccn2CCc2ccccc2)CC1 ZINC000159958715 545995290 /nfs/dbraw/zinc/99/52/90/545995290.db2.gz FAYCFRNTZIEFRK-UHFFFAOYSA-N 2 1 355.486 2.363 20 70 FEIDMP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000160441762 546041020 /nfs/dbraw/zinc/04/10/20/546041020.db2.gz QNIVNEOSFXVWGY-GOSISDBHSA-N 2 1 371.529 2.424 20 70 FEIDMP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000161006211 546092421 /nfs/dbraw/zinc/09/24/21/546092421.db2.gz UQTDTSASCKACPS-XIRDDKMYSA-N 2 1 353.532 2.460 20 70 FEIDMP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000161259434 546114382 /nfs/dbraw/zinc/11/43/82/546114382.db2.gz QOLJZCBZNAXXFI-DBVUQKKJSA-N 2 1 371.529 2.485 20 70 FEIDMP CC[N@H+]1CCCN(C(=O)NC[C@@H]2CC[NH+](CCc3ccccc3)C2)CC1 ZINC000159817378 545983232 /nfs/dbraw/zinc/98/32/32/545983232.db2.gz VGPUTVCIRGGPLQ-FQEVSTJZSA-N 2 1 358.530 2.288 20 70 FEIDMP CC[NH+]1CCCN(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000159817378 545983237 /nfs/dbraw/zinc/98/32/37/545983237.db2.gz VGPUTVCIRGGPLQ-FQEVSTJZSA-N 2 1 358.530 2.288 20 70 FEIDMP CC[NH+]1CCCN(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000159817378 545983244 /nfs/dbraw/zinc/98/32/44/545983244.db2.gz VGPUTVCIRGGPLQ-FQEVSTJZSA-N 2 1 358.530 2.288 20 70 FEIDMP CCC(CC)[C@H](C(=O)N1CCC([NH2+]CC2CC2)CC1)[NH+]1CCOCC1 ZINC000159823549 545984472 /nfs/dbraw/zinc/98/44/72/545984472.db2.gz MFBYLJREIGPXPL-LJQANCHMSA-N 2 1 351.535 2.114 20 70 FEIDMP Cc1cccc(NC[C@H]2CC[N@H+]([C@@H]3CCCN(c4cnn(C)c4)C3=O)C2)[nH+]1 ZINC000160092426 546006845 /nfs/dbraw/zinc/00/68/45/546006845.db2.gz CEQAASSUKADWKN-SJLPKXTDSA-N 2 1 368.485 2.053 20 70 FEIDMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159608872 545967120 /nfs/dbraw/zinc/96/71/20/545967120.db2.gz UFHGJFHOTILCMJ-LMNJBCLMSA-N 2 1 373.541 2.249 20 70 FEIDMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000217034744 548680562 /nfs/dbraw/zinc/68/05/62/548680562.db2.gz QQTRYTPJQPWQKL-OTWHNJEPSA-N 2 1 368.566 2.440 20 70 FEIDMP CCCC[NH+]1CCCC[C@H]1CNC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000217034744 548680565 /nfs/dbraw/zinc/68/05/65/548680565.db2.gz QQTRYTPJQPWQKL-OTWHNJEPSA-N 2 1 368.566 2.440 20 70 FEIDMP CCCC[NH+]1CCCC[C@H]1CNC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000217034744 548680568 /nfs/dbraw/zinc/68/05/68/548680568.db2.gz QQTRYTPJQPWQKL-OTWHNJEPSA-N 2 1 368.566 2.440 20 70 FEIDMP C[NH+](C)CCCC1CCN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000160195532 326956928 /nfs/dbraw/zinc/95/69/28/326956928.db2.gz QFXVOKKUQYYPMX-NRFANRHFSA-N 2 1 374.573 2.459 20 70 FEIDMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H](C)O1 ZINC000161101718 546100307 /nfs/dbraw/zinc/10/03/07/546100307.db2.gz BAOCLRLYSNVVFM-HLIPFELVSA-N 2 1 359.514 2.462 20 70 FEIDMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000161005942 326984822 /nfs/dbraw/zinc/98/48/22/326984822.db2.gz UQTDTSASCKACPS-UAGQMJEPSA-N 2 1 353.532 2.460 20 70 FEIDMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N(C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000159942550 545994173 /nfs/dbraw/zinc/99/41/73/545994173.db2.gz GTRHAPBQVGSIAM-XEYPJELSSA-N 2 1 358.530 2.489 20 70 FEIDMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000159942550 545994174 /nfs/dbraw/zinc/99/41/74/545994174.db2.gz GTRHAPBQVGSIAM-XEYPJELSSA-N 2 1 358.530 2.489 20 70 FEIDMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000159942550 545994177 /nfs/dbraw/zinc/99/41/77/545994177.db2.gz GTRHAPBQVGSIAM-XEYPJELSSA-N 2 1 358.530 2.489 20 70 FEIDMP FC(F)CN1CCC([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000160599949 546055995 /nfs/dbraw/zinc/05/59/95/546055995.db2.gz WAFNXNTVGHOLOY-UHFFFAOYSA-N 2 1 353.457 2.338 20 70 FEIDMP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000160664878 546061284 /nfs/dbraw/zinc/06/12/84/546061284.db2.gz OITXXOWLBQWKEM-LSDHHAIUSA-N 2 1 368.909 2.279 20 70 FEIDMP C[N@H+](CCCO)C1CC[NH+](C[C@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000161030328 546093508 /nfs/dbraw/zinc/09/35/08/546093508.db2.gz ZVCOHTPPRTXBOL-GOSISDBHSA-N 2 1 374.447 2.387 20 70 FEIDMP C[N@@H+](CCCO)C1CC[NH+](C[C@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000161030328 546093514 /nfs/dbraw/zinc/09/35/14/546093514.db2.gz ZVCOHTPPRTXBOL-GOSISDBHSA-N 2 1 374.447 2.387 20 70 FEIDMP CCN1CC[NH+](Cc2ccc(C[NH2+]C3CCC(NC(C)=O)CC3)cc2)CC1 ZINC000161301868 546118507 /nfs/dbraw/zinc/11/85/07/546118507.db2.gz RTQZDJAVGLIIIL-UHFFFAOYSA-N 2 1 372.557 2.361 20 70 FEIDMP CC(C)C[C@H](CNC(=O)N(CC[NH+](C)C)C1CCCC1)[NH+]1CCOCC1 ZINC000159870357 517430731 /nfs/dbraw/zinc/43/07/31/517430731.db2.gz BFLDZKZLJIWPPT-LJQANCHMSA-N 2 1 368.566 2.249 20 70 FEIDMP Cc1cnc(CC[N@@H+](C)CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)s1 ZINC000159525359 545960287 /nfs/dbraw/zinc/96/02/87/545960287.db2.gz MEJYKRHCURSIHB-KRWDZBQOSA-N 2 1 360.527 2.345 20 70 FEIDMP Cc1cnc(CC[N@H+](C)CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)s1 ZINC000159525359 545960289 /nfs/dbraw/zinc/96/02/89/545960289.db2.gz MEJYKRHCURSIHB-KRWDZBQOSA-N 2 1 360.527 2.345 20 70 FEIDMP C[C@H]1C[NH+](C(C)(C)CNC(=O)N(CC[NH+](C)C)C2CCCC2)C[C@H](C)O1 ZINC000159666277 545971133 /nfs/dbraw/zinc/97/11/33/545971133.db2.gz CMPVVTXDKVEDQD-IRXDYDNUSA-N 2 1 368.566 2.390 20 70 FEIDMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000160127409 546010415 /nfs/dbraw/zinc/01/04/15/546010415.db2.gz NFPQNSNRLMSLLR-GOSISDBHSA-N 2 1 350.482 2.369 20 70 FEIDMP CC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000160007796 545999139 /nfs/dbraw/zinc/99/91/39/545999139.db2.gz UWEMUBSIDOLNGB-DFQSSKMNSA-N 2 1 358.530 2.490 20 70 FEIDMP CC[NH+](C)C[C@H]1CCN(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000160007796 545999143 /nfs/dbraw/zinc/99/91/43/545999143.db2.gz UWEMUBSIDOLNGB-DFQSSKMNSA-N 2 1 358.530 2.490 20 70 FEIDMP CC[NH+](C)C[C@H]1CCN(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000160007796 545999149 /nfs/dbraw/zinc/99/91/49/545999149.db2.gz UWEMUBSIDOLNGB-DFQSSKMNSA-N 2 1 358.530 2.490 20 70 FEIDMP CC[N@@H+](CC1CCN(c2ccccn2)CC1)[C@@H](C)C(=O)Nc1ncccn1 ZINC000160025898 546001196 /nfs/dbraw/zinc/00/11/96/546001196.db2.gz XNZAWTPLIPKADJ-INIZCTEOSA-N 2 1 368.485 2.437 20 70 FEIDMP COc1cccc2c(N3CCC([N@@H+]4CCC[C@H]4C(N)=O)CC3)cc(C)[nH+]c12 ZINC000160804750 546074136 /nfs/dbraw/zinc/07/41/36/546074136.db2.gz FWONIIVXETWFEI-KRWDZBQOSA-N 2 1 368.481 2.470 20 70 FEIDMP COc1cccc2c(N3CCC([N@H+]4CCC[C@H]4C(N)=O)CC3)cc(C)[nH+]c12 ZINC000160804750 546074138 /nfs/dbraw/zinc/07/41/38/546074138.db2.gz FWONIIVXETWFEI-KRWDZBQOSA-N 2 1 368.481 2.470 20 70 FEIDMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000159602917 545966337 /nfs/dbraw/zinc/96/63/37/545966337.db2.gz WIOBYCTZYMBSRD-FQEVSTJZSA-N 2 1 373.541 2.468 20 70 FEIDMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000159602917 545966341 /nfs/dbraw/zinc/96/63/41/545966341.db2.gz WIOBYCTZYMBSRD-FQEVSTJZSA-N 2 1 373.541 2.468 20 70 FEIDMP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000159609043 545967533 /nfs/dbraw/zinc/96/75/33/545967533.db2.gz UWMBBDSFSNMAPW-MSOLQXFVSA-N 2 1 368.566 2.155 20 70 FEIDMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000159609043 545967536 /nfs/dbraw/zinc/96/75/36/545967536.db2.gz UWMBBDSFSNMAPW-MSOLQXFVSA-N 2 1 368.566 2.155 20 70 FEIDMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N(CC[NH+](C)C)C2CCCC2)C[C@H](C)O1 ZINC000159666151 545971319 /nfs/dbraw/zinc/97/13/19/545971319.db2.gz CMPVVTXDKVEDQD-CALCHBBNSA-N 2 1 368.566 2.390 20 70 FEIDMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N(CC[NH+](C)C)C2CCCC2)C[C@H](C)O1 ZINC000159666151 545971321 /nfs/dbraw/zinc/97/13/21/545971321.db2.gz CMPVVTXDKVEDQD-CALCHBBNSA-N 2 1 368.566 2.390 20 70 FEIDMP CC[N@@H+](C)[C@@H](C(=O)N(C)CC(C)(C)CN1CCOCC1)c1ccccc1 ZINC000159998515 545998043 /nfs/dbraw/zinc/99/80/43/545998043.db2.gz QDTWBQFMIAIKTF-LJQANCHMSA-N 2 1 361.530 2.496 20 70 FEIDMP Cc1c([C@@H]2CCC[N@@H+]2CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cnn1C ZINC000160187473 546015556 /nfs/dbraw/zinc/01/55/56/546015556.db2.gz YZVZXBBJNSTGLG-PMACEKPBSA-N 2 1 369.513 2.285 20 70 FEIDMP Cc1c([C@@H]2CCC[N@H+]2CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cnn1C ZINC000160187473 546015560 /nfs/dbraw/zinc/01/55/60/546015560.db2.gz YZVZXBBJNSTGLG-PMACEKPBSA-N 2 1 369.513 2.285 20 70 FEIDMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000160779964 546071419 /nfs/dbraw/zinc/07/14/19/546071419.db2.gz RHKJWXNLSOXIIG-RBUKOAKNSA-N 2 1 370.497 2.148 20 70 FEIDMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000160779964 546071422 /nfs/dbraw/zinc/07/14/22/546071422.db2.gz RHKJWXNLSOXIIG-RBUKOAKNSA-N 2 1 370.497 2.148 20 70 FEIDMP CC[NH+]1CCN(c2ccccc2NC(=O)C[N@H+](C)[C@H]2CCSC2)CC1 ZINC000160926968 546085968 /nfs/dbraw/zinc/08/59/68/546085968.db2.gz BFMJBHGESRTADU-INIZCTEOSA-N 2 1 362.543 2.204 20 70 FEIDMP CC[NH+]1CCN(c2ccccc2NC(=O)C[N@@H+](C)[C@H]2CCSC2)CC1 ZINC000160926968 546085970 /nfs/dbraw/zinc/08/59/70/546085970.db2.gz BFMJBHGESRTADU-INIZCTEOSA-N 2 1 362.543 2.204 20 70 FEIDMP C[N@H+](CCCO)C1CC[NH+](C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000161030462 546093859 /nfs/dbraw/zinc/09/38/59/546093859.db2.gz ZVCOHTPPRTXBOL-SFHVURJKSA-N 2 1 374.447 2.387 20 70 FEIDMP C[N@@H+](CCCO)C1CC[NH+](C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000161030462 546093866 /nfs/dbraw/zinc/09/38/66/546093866.db2.gz ZVCOHTPPRTXBOL-SFHVURJKSA-N 2 1 374.447 2.387 20 70 FEIDMP Cc1csc(N2CCC([NH2+]CCCC[N@H+]3CCC[C@H]3CO)CC2)n1 ZINC000160682903 546062675 /nfs/dbraw/zinc/06/26/75/546062675.db2.gz ZPTOZRIBMDLAPL-KRWDZBQOSA-N 2 1 352.548 2.247 20 70 FEIDMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000160698156 546063668 /nfs/dbraw/zinc/06/36/68/546063668.db2.gz TZYXRYRHWPTNFE-IBGZPJMESA-N 2 1 371.525 2.105 20 70 FEIDMP CCOCC[N@H+]1CCN(C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)C[C@H]1CC ZINC000160808202 546074587 /nfs/dbraw/zinc/07/45/87/546074587.db2.gz BPNFPZMEHCUIFI-QZTJIDSGSA-N 2 1 366.550 2.146 20 70 FEIDMP CCOCC[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)C[C@H]1CC ZINC000160808202 546074593 /nfs/dbraw/zinc/07/45/93/546074593.db2.gz BPNFPZMEHCUIFI-QZTJIDSGSA-N 2 1 366.550 2.146 20 70 FEIDMP CCOCC[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)C[C@H]1CC ZINC000160808202 546074599 /nfs/dbraw/zinc/07/45/99/546074599.db2.gz BPNFPZMEHCUIFI-QZTJIDSGSA-N 2 1 366.550 2.146 20 70 FEIDMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000161301096 546118250 /nfs/dbraw/zinc/11/82/50/546118250.db2.gz KXYJEJKVUMMGGG-AWEZNQCLSA-N 2 1 350.488 2.312 20 70 FEIDMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000161301096 546118251 /nfs/dbraw/zinc/11/82/51/546118251.db2.gz KXYJEJKVUMMGGG-AWEZNQCLSA-N 2 1 350.488 2.312 20 70 FEIDMP Cc1nc2n(n1)C[C@@H]([NH2+]C1CC[NH+](CCc3ccc(F)cc3)CC1)CC2 ZINC000160425618 326965342 /nfs/dbraw/zinc/96/53/42/326965342.db2.gz KQMPXQZYOCRJRW-IBGZPJMESA-N 2 1 357.477 2.337 20 70 FEIDMP C[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000159541029 545961442 /nfs/dbraw/zinc/96/14/42/545961442.db2.gz GSHQNOIRVBZWBM-GOSISDBHSA-N 2 1 373.541 2.495 20 70 FEIDMP C[C@@H]1CCC[N@@H+](CCNC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)C1 ZINC000159542613 545961805 /nfs/dbraw/zinc/96/18/05/545961805.db2.gz ABGIOALSBAWZAW-GOSISDBHSA-N 2 1 373.541 2.353 20 70 FEIDMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(C)C[C@@H]1CCC[NH+](C)C1 ZINC000159957575 545994446 /nfs/dbraw/zinc/99/44/46/545994446.db2.gz QNIQGOYSOSBPDD-RLLQIKCJSA-N 2 1 358.530 2.490 20 70 FEIDMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000159957575 545994451 /nfs/dbraw/zinc/99/44/51/545994451.db2.gz QNIQGOYSOSBPDD-RLLQIKCJSA-N 2 1 358.530 2.490 20 70 FEIDMP Cc1nccn1CCC[N@H+](C)[C@H]1CC(=O)N(CCc2ccccc2F)C1=O ZINC000160261730 546022208 /nfs/dbraw/zinc/02/22/08/546022208.db2.gz PICNOGZIIZQKSJ-SFHVURJKSA-N 2 1 372.444 2.023 20 70 FEIDMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H]1CC(=O)N(CCc2ccccc2F)C1=O ZINC000160261730 546022214 /nfs/dbraw/zinc/02/22/14/546022214.db2.gz PICNOGZIIZQKSJ-SFHVURJKSA-N 2 1 372.444 2.023 20 70 FEIDMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H]1CC(=O)N(CCc2ccccc2F)C1=O ZINC000160261730 546022220 /nfs/dbraw/zinc/02/22/20/546022220.db2.gz PICNOGZIIZQKSJ-SFHVURJKSA-N 2 1 372.444 2.023 20 70 FEIDMP CC[N@@H+](Cc1ccc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1)C(C)C ZINC000160268831 546024453 /nfs/dbraw/zinc/02/44/53/546024453.db2.gz OTGUWTXFCUONCZ-FQEVSTJZSA-N 2 1 361.530 2.494 20 70 FEIDMP CC(C)[NH+]1CCC([NH2+]Cc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 ZINC000160434674 546040978 /nfs/dbraw/zinc/04/09/78/546040978.db2.gz RNJCHZIHPHYSDT-UHFFFAOYSA-N 2 1 365.543 2.434 20 70 FEIDMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000160780110 546071133 /nfs/dbraw/zinc/07/11/33/546071133.db2.gz RHKJWXNLSOXIIG-RTBURBONSA-N 2 1 370.497 2.148 20 70 FEIDMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000160780110 546071138 /nfs/dbraw/zinc/07/11/38/546071138.db2.gz RHKJWXNLSOXIIG-RTBURBONSA-N 2 1 370.497 2.148 20 70 FEIDMP CCOCC[NH+]1CCN(C(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000160036380 546002128 /nfs/dbraw/zinc/00/21/28/546002128.db2.gz WZBVUHYMZIDEIG-AZUAARDMSA-N 2 1 374.529 2.013 20 70 FEIDMP CCOCC[NH+]1CCN(C(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000160036380 546002131 /nfs/dbraw/zinc/00/21/31/546002131.db2.gz WZBVUHYMZIDEIG-AZUAARDMSA-N 2 1 374.529 2.013 20 70 FEIDMP C[NH+](C)CCCC1CCN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000160195682 326956892 /nfs/dbraw/zinc/95/68/92/326956892.db2.gz QFXVOKKUQYYPMX-OAQYLSRUSA-N 2 1 374.573 2.459 20 70 FEIDMP Cc1nc2n(n1)C[C@H]([NH2+]C1CC[NH+](CCc3ccc(F)cc3)CC1)CC2 ZINC000160425473 326965492 /nfs/dbraw/zinc/96/54/92/326965492.db2.gz KQMPXQZYOCRJRW-LJQANCHMSA-N 2 1 357.477 2.337 20 70 FEIDMP C[C@H]1CCCC[N@H+]1CCNC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000159541162 545961706 /nfs/dbraw/zinc/96/17/06/545961706.db2.gz GSHQNOIRVBZWBM-SFHVURJKSA-N 2 1 373.541 2.495 20 70 FEIDMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000159603052 545966497 /nfs/dbraw/zinc/96/64/97/545966497.db2.gz WIOBYCTZYMBSRD-HXUWFJFHSA-N 2 1 373.541 2.468 20 70 FEIDMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000159603052 545966499 /nfs/dbraw/zinc/96/64/99/545966499.db2.gz WIOBYCTZYMBSRD-HXUWFJFHSA-N 2 1 373.541 2.468 20 70 FEIDMP CCC[C@H]1CN(C(=O)NC2CC[NH+](C(C)C)CC2)CC[N@H+]1CCOC ZINC000159825292 545984354 /nfs/dbraw/zinc/98/43/54/545984354.db2.gz RMNHYEBDANZJLK-SFHVURJKSA-N 2 1 354.539 2.002 20 70 FEIDMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000160007665 546000051 /nfs/dbraw/zinc/00/00/51/546000051.db2.gz UWEMUBSIDOLNGB-YSIASYRMSA-N 2 1 358.530 2.490 20 70 FEIDMP CC[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000160007665 546000057 /nfs/dbraw/zinc/00/00/57/546000057.db2.gz UWEMUBSIDOLNGB-YSIASYRMSA-N 2 1 358.530 2.490 20 70 FEIDMP CC[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000160007665 546000061 /nfs/dbraw/zinc/00/00/61/546000061.db2.gz UWEMUBSIDOLNGB-YSIASYRMSA-N 2 1 358.530 2.490 20 70 FEIDMP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000160657912 546060206 /nfs/dbraw/zinc/06/02/06/546060206.db2.gz IPNBOPNTLROJHF-LJQANCHMSA-N 2 1 362.493 2.383 20 70 FEIDMP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000160691494 546064144 /nfs/dbraw/zinc/06/41/44/546064144.db2.gz SENBQLOTSNASGL-LJQANCHMSA-N 2 1 362.493 2.383 20 70 FEIDMP CCC[C@@H]1CN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC[N@H+]1CCOC ZINC000160701037 546064622 /nfs/dbraw/zinc/06/46/22/546064622.db2.gz AOIWATGCRSMRRQ-GOSISDBHSA-N 2 1 368.566 2.392 20 70 FEIDMP CC[N@H+]1CCC[C@H](NC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000160794631 546073616 /nfs/dbraw/zinc/07/36/16/546073616.db2.gz JBAYDAXXFCQSDA-SFHVURJKSA-N 2 1 359.518 2.424 20 70 FEIDMP CC[N@H+]1CCCN(C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC000159817081 545982589 /nfs/dbraw/zinc/98/25/89/545982589.db2.gz YFFMGIXHLBLLDR-UHFFFAOYSA-N 2 1 362.518 2.254 20 70 FEIDMP CC[C@H](C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc1)[NH+](C)C ZINC000159594118 545965513 /nfs/dbraw/zinc/96/55/13/545965513.db2.gz NWTBNSIFWHLACS-ZWKOTPCHSA-N 2 1 360.502 2.132 20 70 FEIDMP CC[N@@H+](CC1CCN(c2ccccn2)CC1)[C@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000160051502 546003574 /nfs/dbraw/zinc/00/35/74/546003574.db2.gz HNXOGTMJNQKKNI-MJGOQNOKSA-N 2 1 374.529 2.304 20 70 FEIDMP CCC[C@@H]1CN(C(=O)NCC2CC[NH+](CCC)CC2)CC[N@H+]1CCOC ZINC000161413274 546128534 /nfs/dbraw/zinc/12/85/34/546128534.db2.gz LTPGMSAQXMEYIB-LJQANCHMSA-N 2 1 368.566 2.251 20 70 FEIDMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C[C@@H]1n1ccnc1 ZINC000159384701 545949095 /nfs/dbraw/zinc/94/90/95/545949095.db2.gz ASTICZBPESUJSP-HOJAQTOUSA-N 2 1 369.513 2.185 20 70 FEIDMP CC[N@H+]1CCCN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)CC1 ZINC000159673764 545971974 /nfs/dbraw/zinc/97/19/74/545971974.db2.gz XGXTYFMIQSDRJV-UHFFFAOYSA-N 2 1 354.564 2.085 20 70 FEIDMP C[N@@H+](CCN1CCN(C[C@H]2CCCC[NH+]2C)CC1)Cc1ccc(F)cc1 ZINC000159554034 545962398 /nfs/dbraw/zinc/96/23/98/545962398.db2.gz DIVMGRGJTBRHSS-OAQYLSRUSA-N 2 1 362.537 2.359 20 70 FEIDMP C[NH+](CCN1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)Cc1ccc(F)cc1 ZINC000159554034 545962399 /nfs/dbraw/zinc/96/23/99/545962399.db2.gz DIVMGRGJTBRHSS-OAQYLSRUSA-N 2 1 362.537 2.359 20 70 FEIDMP C[NH+](CCN1CCN(C[C@H]2CCCC[N@H+]2C)CC1)Cc1ccc(F)cc1 ZINC000159554034 545962400 /nfs/dbraw/zinc/96/24/00/545962400.db2.gz DIVMGRGJTBRHSS-OAQYLSRUSA-N 2 1 362.537 2.359 20 70 FEIDMP CC[C@H](C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1)[NH+](C)C ZINC000159593865 545965535 /nfs/dbraw/zinc/96/55/35/545965535.db2.gz NWTBNSIFWHLACS-QZTJIDSGSA-N 2 1 360.502 2.132 20 70 FEIDMP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000159628299 545968522 /nfs/dbraw/zinc/96/85/22/545968522.db2.gz XFGHVXLSXZDIMW-INIZCTEOSA-N 2 1 371.497 2.292 20 70 FEIDMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000160427441 546039619 /nfs/dbraw/zinc/03/96/19/546039619.db2.gz IYYNVUPJWSFOKT-JTDSTZFVSA-N 2 1 365.543 2.289 20 70 FEIDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000160427441 546039621 /nfs/dbraw/zinc/03/96/21/546039621.db2.gz IYYNVUPJWSFOKT-JTDSTZFVSA-N 2 1 365.543 2.289 20 70 FEIDMP Cc1cnc(CC[N@@H+](C)CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)s1 ZINC000159525503 545960621 /nfs/dbraw/zinc/96/06/21/545960621.db2.gz MEJYKRHCURSIHB-QGZVFWFLSA-N 2 1 360.527 2.345 20 70 FEIDMP Cc1cnc(CC[N@H+](C)CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)s1 ZINC000159525503 545960624 /nfs/dbraw/zinc/96/06/24/545960624.db2.gz MEJYKRHCURSIHB-QGZVFWFLSA-N 2 1 360.527 2.345 20 70 FEIDMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000159964006 545996298 /nfs/dbraw/zinc/99/62/98/545996298.db2.gz AYTNONGOWNQTMJ-HOJAQTOUSA-N 2 1 354.498 2.163 20 70 FEIDMP CCCC[NH+]1CCC(NC(=O)N2CC[N@@H+](CCOC)[C@H](CCC)C2)CC1 ZINC000161426915 546129773 /nfs/dbraw/zinc/12/97/73/546129773.db2.gz XJEOALMJBPLQOH-LJQANCHMSA-N 2 1 368.566 2.393 20 70 FEIDMP Cc1ccc(C[N@@H+](CCO)CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000161496109 327001030 /nfs/dbraw/zinc/00/10/30/327001030.db2.gz ZLJALUJICQWRBK-OAQYLSRUSA-N 2 1 369.509 2.208 20 70 FEIDMP Cc1ccc(C[N@H+](CCO)CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000161496109 327001032 /nfs/dbraw/zinc/00/10/32/327001032.db2.gz ZLJALUJICQWRBK-OAQYLSRUSA-N 2 1 369.509 2.208 20 70 FEIDMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N(CC[NH+](C)C)C2CCCC2)C[C@@H](C)O1 ZINC000159666413 545971143 /nfs/dbraw/zinc/97/11/43/545971143.db2.gz CMPVVTXDKVEDQD-IAGOWNOFSA-N 2 1 368.566 2.390 20 70 FEIDMP CCC[C@@H]1CN(C(=O)NC2CC[NH+](C(C)C)CC2)CC[N@H+]1CCOC ZINC000159825145 545984216 /nfs/dbraw/zinc/98/42/16/545984216.db2.gz RMNHYEBDANZJLK-GOSISDBHSA-N 2 1 354.539 2.002 20 70 FEIDMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000160698239 546063901 /nfs/dbraw/zinc/06/39/01/546063901.db2.gz TZYXRYRHWPTNFE-LJQANCHMSA-N 2 1 371.525 2.105 20 70 FEIDMP CC(C)[C@@H](CNC(=O)N1CCC(CCC[NH+](C)C)CC1)[NH+]1CCOCC1 ZINC000160119885 546009097 /nfs/dbraw/zinc/00/90/97/546009097.db2.gz ZJRZOVXQGGWRAC-LJQANCHMSA-N 2 1 368.566 2.107 20 70 FEIDMP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)CC1 ZINC000161175682 546107264 /nfs/dbraw/zinc/10/72/64/546107264.db2.gz PIOIJZARJBEJEQ-YLJYHZDGSA-N 2 1 371.529 2.487 20 70 FEIDMP CCC[C@H]1CN(C(=O)NCC2CC[NH+](CCC)CC2)CC[N@H+]1CCOC ZINC000161413452 546128353 /nfs/dbraw/zinc/12/83/53/546128353.db2.gz LTPGMSAQXMEYIB-IBGZPJMESA-N 2 1 368.566 2.251 20 70 FEIDMP CC[N@H+]1CCCN(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)CC1 ZINC000159853576 545985760 /nfs/dbraw/zinc/98/57/60/545985760.db2.gz PRSPFCOTWCMGGB-UHFFFAOYSA-N 2 1 368.591 2.475 20 70 FEIDMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1)C1CC1 ZINC000160187546 546015437 /nfs/dbraw/zinc/01/54/37/546015437.db2.gz SNVIHXIHFSYSBD-HXUWFJFHSA-N 2 1 359.514 2.248 20 70 FEIDMP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CC[NH+](C3CC3)CC2)CC1 ZINC000161276238 546116108 /nfs/dbraw/zinc/11/61/08/546116108.db2.gz LRSQNJIURQRXNV-MRXNPFEDSA-N 2 1 357.502 2.097 20 70 FEIDMP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C[C@@H]1n1ccnc1 ZINC000159384815 545948468 /nfs/dbraw/zinc/94/84/68/545948468.db2.gz ASTICZBPESUJSP-IHPCNDPISA-N 2 1 369.513 2.185 20 70 FEIDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1c(C)cccc1C ZINC000159532552 545961362 /nfs/dbraw/zinc/96/13/62/545961362.db2.gz WTHGWRHHQRELIO-GOSISDBHSA-N 2 1 374.529 2.116 20 70 FEIDMP CC[N@@H+]1CCCN(C(=O)NCc2cccc(C[NH+]3CCO[C@H](C)C3)c2)CC1 ZINC000159753211 545977542 /nfs/dbraw/zinc/97/75/42/545977542.db2.gz RKQGHGBICNDUSD-GOSISDBHSA-N 2 1 374.529 2.145 20 70 FEIDMP CC[N@H+]1CCCN(C(=O)NCc2cccc(C[NH+]3CCO[C@H](C)C3)c2)CC1 ZINC000159753211 545977544 /nfs/dbraw/zinc/97/75/44/545977544.db2.gz RKQGHGBICNDUSD-GOSISDBHSA-N 2 1 374.529 2.145 20 70 FEIDMP CC[NH+]1CCCN(C(=O)NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)CC1 ZINC000159753211 545977547 /nfs/dbraw/zinc/97/75/47/545977547.db2.gz RKQGHGBICNDUSD-GOSISDBHSA-N 2 1 374.529 2.145 20 70 FEIDMP CC[NH+]1CCCN(C(=O)NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)CC1 ZINC000159753211 545977550 /nfs/dbraw/zinc/97/75/50/545977550.db2.gz RKQGHGBICNDUSD-GOSISDBHSA-N 2 1 374.529 2.145 20 70 FEIDMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000160709730 546064668 /nfs/dbraw/zinc/06/46/68/546064668.db2.gz CXDYPRHZQXWEEJ-GDBMZVCRSA-N 2 1 372.506 2.117 20 70 FEIDMP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000160749343 546069102 /nfs/dbraw/zinc/06/91/02/546069102.db2.gz CCKCDVGIQGENHM-NRSPTQNISA-N 2 1 360.546 2.119 20 70 FEIDMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N(C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000159942414 545993603 /nfs/dbraw/zinc/99/36/03/545993603.db2.gz GTRHAPBQVGSIAM-CUDHKJQZSA-N 2 1 358.530 2.489 20 70 FEIDMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000159942414 545993607 /nfs/dbraw/zinc/99/36/07/545993607.db2.gz GTRHAPBQVGSIAM-CUDHKJQZSA-N 2 1 358.530 2.489 20 70 FEIDMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000159942414 545993613 /nfs/dbraw/zinc/99/36/13/545993613.db2.gz GTRHAPBQVGSIAM-CUDHKJQZSA-N 2 1 358.530 2.489 20 70 FEIDMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000160779782 546071325 /nfs/dbraw/zinc/07/13/25/546071325.db2.gz RHKJWXNLSOXIIG-OALUTQOASA-N 2 1 370.497 2.148 20 70 FEIDMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000160779782 546071328 /nfs/dbraw/zinc/07/13/28/546071328.db2.gz RHKJWXNLSOXIIG-OALUTQOASA-N 2 1 370.497 2.148 20 70 FEIDMP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000159608905 545967499 /nfs/dbraw/zinc/96/74/99/545967499.db2.gz UWMBBDSFSNMAPW-QZTJIDSGSA-N 2 1 368.566 2.155 20 70 FEIDMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000159608905 545967503 /nfs/dbraw/zinc/96/75/03/545967503.db2.gz UWMBBDSFSNMAPW-QZTJIDSGSA-N 2 1 368.566 2.155 20 70 FEIDMP CC[C@@H](C)[N@H+](C)CC[NH2+]C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000160086016 546007117 /nfs/dbraw/zinc/00/71/17/546007117.db2.gz WJEGHKZBDBFEQR-QGZVFWFLSA-N 2 1 367.559 2.468 20 70 FEIDMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000160086016 546007119 /nfs/dbraw/zinc/00/71/19/546007119.db2.gz WJEGHKZBDBFEQR-QGZVFWFLSA-N 2 1 367.559 2.468 20 70 FEIDMP C[C@@H]1C[N@H+](CCCNC(=O)N2CCC(CCC[NH+](C)C)CC2)C[C@H](C)O1 ZINC000160108550 546007631 /nfs/dbraw/zinc/00/76/31/546007631.db2.gz JCGPOVUPXYWMJY-HDICACEKSA-N 2 1 368.566 2.249 20 70 FEIDMP C[C@@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000161006326 326984902 /nfs/dbraw/zinc/98/49/02/326984902.db2.gz UQTDTSASCKACPS-PVAVHDDUSA-N 2 1 353.532 2.460 20 70 FEIDMP CCC[C@H]1CN(C(=O)N[C@@H](C)C[NH+]2CCCCC2)CC[N@H+]1CCOC ZINC000160320777 546029294 /nfs/dbraw/zinc/02/92/94/546029294.db2.gz HBTVUVHPKYMINE-ROUUACIJSA-N 2 1 354.539 2.003 20 70 FEIDMP Cc1ccc(C(=O)CC[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000160552671 546051121 /nfs/dbraw/zinc/05/11/21/546051121.db2.gz XWHYBTJLDFJWOB-UHFFFAOYSA-N 2 1 371.525 2.444 20 70 FEIDMP CCOCC[NH+]1CCN(C(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000160036631 546002706 /nfs/dbraw/zinc/00/27/06/546002706.db2.gz WZBVUHYMZIDEIG-UYAOXDASSA-N 2 1 374.529 2.013 20 70 FEIDMP CCOCC[NH+]1CCN(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000160036631 546002710 /nfs/dbraw/zinc/00/27/10/546002710.db2.gz WZBVUHYMZIDEIG-UYAOXDASSA-N 2 1 374.529 2.013 20 70 FEIDMP CN(CC[N@@H+](C)CC1CCN(C(=O)C(C)(C)C)CC1)C1CC[NH+](C)CC1 ZINC000161179694 546107047 /nfs/dbraw/zinc/10/70/47/546107047.db2.gz MFIHARGSRVYJFA-UHFFFAOYSA-N 2 1 366.594 2.229 20 70 FEIDMP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000160441622 546041292 /nfs/dbraw/zinc/04/12/92/546041292.db2.gz QNIVNEOSFXVWGY-SFHVURJKSA-N 2 1 371.529 2.424 20 70 FEIDMP C[NH+](C)CCN(Cc1ccccc1F)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000160761192 546070605 /nfs/dbraw/zinc/07/06/05/546070605.db2.gz GCZYQUFEZVSIHL-SFHVURJKSA-N 2 1 362.493 2.383 20 70 FEIDMP CC[N@H+](CCc1nccs1)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000159508039 545959740 /nfs/dbraw/zinc/95/97/40/545959740.db2.gz ZZUKVSMKDGLICH-QGZVFWFLSA-N 2 1 360.527 2.427 20 70 FEIDMP CC[N@@H+](CCc1nccs1)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000159508039 545959745 /nfs/dbraw/zinc/95/97/45/545959745.db2.gz ZZUKVSMKDGLICH-QGZVFWFLSA-N 2 1 360.527 2.427 20 70 FEIDMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000160427222 546039350 /nfs/dbraw/zinc/03/93/50/546039350.db2.gz IYYNVUPJWSFOKT-GJYPPUQNSA-N 2 1 365.543 2.289 20 70 FEIDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000160427222 546039356 /nfs/dbraw/zinc/03/93/56/546039356.db2.gz IYYNVUPJWSFOKT-GJYPPUQNSA-N 2 1 365.543 2.289 20 70 FEIDMP CCC(CC)[C@@H](C(=O)N1CCC([NH2+]CC2CC2)CC1)[NH+]1CCOCC1 ZINC000159823405 545984165 /nfs/dbraw/zinc/98/41/65/545984165.db2.gz MFBYLJREIGPXPL-IBGZPJMESA-N 2 1 351.535 2.114 20 70 FEIDMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(C)C[C@@H]1CCC[NH+](C)C1 ZINC000159957702 545994621 /nfs/dbraw/zinc/99/46/21/545994621.db2.gz QNIQGOYSOSBPDD-SXLOBPIMSA-N 2 1 358.530 2.490 20 70 FEIDMP C[C@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000159957702 545994628 /nfs/dbraw/zinc/99/46/28/545994628.db2.gz QNIQGOYSOSBPDD-SXLOBPIMSA-N 2 1 358.530 2.490 20 70 FEIDMP Cc1nc2ccccn2c1C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000160320503 546029080 /nfs/dbraw/zinc/02/90/80/546029080.db2.gz LVCLNWJNRGCWNM-UHFFFAOYSA-N 2 1 369.513 2.019 20 70 FEIDMP CC[N@@H+](C)CCNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000160133568 546009975 /nfs/dbraw/zinc/00/99/75/546009975.db2.gz PIAOWEHPBQCQQJ-HZPDHXFCSA-N 2 1 356.873 2.475 20 70 FEIDMP CC[NH+]1CCN(c2ccccc2NC(=O)C[N@H+](C)[C@@H]2CCSC2)CC1 ZINC000160926844 546085861 /nfs/dbraw/zinc/08/58/61/546085861.db2.gz BFMJBHGESRTADU-MRXNPFEDSA-N 2 1 362.543 2.204 20 70 FEIDMP CC[NH+]1CCN(c2ccccc2NC(=O)C[N@@H+](C)[C@@H]2CCSC2)CC1 ZINC000160926844 546085864 /nfs/dbraw/zinc/08/58/64/546085864.db2.gz BFMJBHGESRTADU-MRXNPFEDSA-N 2 1 362.543 2.204 20 70 FEIDMP Cc1ccc(C[N@@H+](CCO)CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000161495969 327000990 /nfs/dbraw/zinc/00/09/90/327000990.db2.gz ZLJALUJICQWRBK-NRFANRHFSA-N 2 1 369.509 2.208 20 70 FEIDMP Cc1ccc(C[N@H+](CCO)CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000161495969 327000991 /nfs/dbraw/zinc/00/09/91/327000991.db2.gz ZLJALUJICQWRBK-NRFANRHFSA-N 2 1 369.509 2.208 20 70 FEIDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1c(C)cccc1C ZINC000159532691 545961346 /nfs/dbraw/zinc/96/13/46/545961346.db2.gz WTHGWRHHQRELIO-SFHVURJKSA-N 2 1 374.529 2.116 20 70 FEIDMP CC[N@@H+](CC1CCN(c2ccccn2)CC1)[C@H](C)C(=O)NCCCOC ZINC000160019469 546000812 /nfs/dbraw/zinc/00/08/12/546000812.db2.gz IBXOTSPTZLSMJZ-QGZVFWFLSA-N 2 1 362.518 2.161 20 70 FEIDMP CC[C@@H](C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc1)[NH+](C)C ZINC000159593989 545965222 /nfs/dbraw/zinc/96/52/22/545965222.db2.gz NWTBNSIFWHLACS-ROUUACIJSA-N 2 1 360.502 2.132 20 70 FEIDMP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000161185524 546108632 /nfs/dbraw/zinc/10/86/32/546108632.db2.gz METPAYZWITTXIU-UHFFFAOYSA-N 3 1 366.594 2.278 20 70 FEIDMP CC(=O)NC1CCC([NH2+]CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000161275148 546115927 /nfs/dbraw/zinc/11/59/27/546115927.db2.gz HACUVEFODAVYEK-LZBANZJXSA-N 2 1 372.557 2.402 20 70 FEIDMP CCN1CC[NH+](Cc2ccccc2C[NH2+]C2CCC(NC(C)=O)CC2)CC1 ZINC000161302166 546118489 /nfs/dbraw/zinc/11/84/89/546118489.db2.gz VNEPKYWPQYUQDA-UHFFFAOYSA-N 2 1 372.557 2.361 20 70 FEIDMP