smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)C1([C@H](C)[NH2+]CC(C)(C)CN2CCCC2)CC[NH2+]CC1 ZINC000423068406 240348764 /nfs/dbraw/zinc/34/87/64/240348764.db2.gz BRKOGDQGSBMOAE-INIZCTEOSA-N 2 3 339.524 2.019 20 0 EEADHP C[C@@H]1C[C@H](C[NH+]2CCN(CCN(C)Cc3ccccc3)CC2)CC[NH2+]1 ZINC000414696319 313065615 /nfs/dbraw/zinc/06/56/15/313065615.db2.gz PETHRVAYNMCKRK-TZIWHRDSSA-N 2 3 344.547 2.124 20 0 EEADHP CN(Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262182693 463966189 /nfs/dbraw/zinc/96/61/89/463966189.db2.gz WWUHFPGXZFWFTG-FQEVSTJZSA-N 2 3 344.547 2.124 20 0 EEADHP CN(Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262182693 463966192 /nfs/dbraw/zinc/96/61/92/463966192.db2.gz WWUHFPGXZFWFTG-FQEVSTJZSA-N 2 3 344.547 2.124 20 0 EEADHP CCOC(=O)C1([C@@H](C)[NH2+]C[C@H](C)CN2CCCCC2)CC[NH2+]CC1 ZINC000422720274 466681420 /nfs/dbraw/zinc/68/14/20/466681420.db2.gz ZBLDVINKNMPQKN-DLBZAZTESA-N 2 3 339.524 2.019 20 0 EEADHP CC[NH+](CC)CCOc1ccc(CN[C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])cc1 ZINC000422887214 535553973 /nfs/dbraw/zinc/55/39/73/535553973.db2.gz ALRQYOQPGXXTRM-PWIZWCRZSA-N 2 3 349.519 2.249 20 0 EEADHP COc1ccccc1C1(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]CC1 ZINC001246414784 1310304164 /nfs/dbraw/zinc/30/41/64/1310304164.db2.gz IHWXUVKFISIUKB-SJPCQFCGSA-N 2 3 329.488 2.189 20 0 EEADHP Cc1cc(F)ccc1[C@H]1C[C@@H](N2CCC3(CC2)C[NH2+]CCO3)CC[NH2+]1 ZINC001246605116 1310355563 /nfs/dbraw/zinc/35/55/63/1310355563.db2.gz SPINMWCBZHLRLG-PKOBYXMFSA-N 2 3 347.478 2.382 20 0 EEADHP c1ccc([C@]23CCNC[C@H]2C[N@H+]([C@@H]2CCC4(C[NH2+]C4)C2)CC3)cc1 ZINC001246670445 1310375653 /nfs/dbraw/zinc/37/56/53/1310375653.db2.gz CWJSESHZUQKJKO-QKNQBKEWSA-N 2 3 325.500 2.382 20 0 EEADHP c1ccc([C@]23CCNC[C@H]2C[N@@H+]([C@@H]2CCC4(C[NH2+]C4)C2)CC3)cc1 ZINC001246670445 1310375661 /nfs/dbraw/zinc/37/56/61/1310375661.db2.gz CWJSESHZUQKJKO-QKNQBKEWSA-N 2 3 325.500 2.382 20 0 EEADHP C[N@H+](CCN1CC[NH2+]CC1)[C@@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001246872491 1310457035 /nfs/dbraw/zinc/45/70/35/1310457035.db2.gz VMKOKYWWJYXTTB-HXUWFJFHSA-N 2 3 344.547 2.267 20 0 EEADHP C[N@@H+](CCN1CC[NH2+]CC1)[C@@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001246872491 1310457040 /nfs/dbraw/zinc/45/70/40/1310457040.db2.gz VMKOKYWWJYXTTB-HXUWFJFHSA-N 2 3 344.547 2.267 20 0 EEADHP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(CC1(C)CC[NH+](C)CC1)C2 ZINC001208106340 1324317504 /nfs/dbraw/zinc/31/75/04/1324317504.db2.gz DGGRUNPMWBXWHJ-FPOVZHCZSA-N 2 3 349.563 2.399 20 0 EEADHP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(CC1(C)CC[NH+](C)CC1)C2 ZINC001208106340 1324317510 /nfs/dbraw/zinc/31/75/10/1324317510.db2.gz DGGRUNPMWBXWHJ-FPOVZHCZSA-N 2 3 349.563 2.399 20 0 EEADHP [NH3+]C[C@H](CN1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1)c1ccc(F)cc1 ZINC000573198235 469079912 /nfs/dbraw/zinc/07/99/12/469079912.db2.gz RZDPDHOZGIWJLA-NZSAHSFTSA-N 2 3 335.467 2.086 20 0 EEADHP NC[C@H](C[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1)c1ccc(F)cc1 ZINC000573198235 469079916 /nfs/dbraw/zinc/07/99/16/469079916.db2.gz RZDPDHOZGIWJLA-NZSAHSFTSA-N 2 3 335.467 2.086 20 0 EEADHP COc1cccc(CC2(C[NH2+][C@H]3CCN[C@@H](C)C3)CC[NH2+]CC2)c1 ZINC001246378920 1310294369 /nfs/dbraw/zinc/29/43/69/1310294369.db2.gz BDTFOCHWNCXXHM-WMZOPIPTSA-N 2 3 331.504 2.338 20 0 EEADHP COc1cccc(C2(C[NH2+]C3C[C@H](C)N[C@@H](C)C3)CC[NH2+]CC2)c1 ZINC001246385424 1310295415 /nfs/dbraw/zinc/29/54/15/1310295415.db2.gz FQOFGQVZXIZZOD-HOTGVXAUSA-N 2 3 331.504 2.435 20 0 EEADHP CC[C@@H]1C[C@H](NCC2(c3ccccc3OC)CC[NH2+]CC2)CC[NH2+]1 ZINC001246415309 1310304462 /nfs/dbraw/zinc/30/44/62/1310304462.db2.gz LCAIAAAVYLODDK-IAGOWNOFSA-N 2 3 331.504 2.437 20 0 EEADHP c1ccc([C@]23CCNC[C@H]2C[N@H+]([C@H]2CCC4(C[NH2+]C4)C2)CC3)cc1 ZINC001246670442 1310375788 /nfs/dbraw/zinc/37/57/88/1310375788.db2.gz CWJSESHZUQKJKO-IRFCIJBXSA-N 2 3 325.500 2.382 20 0 EEADHP c1ccc([C@]23CCNC[C@H]2C[N@@H+]([C@H]2CCC4(C[NH2+]C4)C2)CC3)cc1 ZINC001246670442 1310375793 /nfs/dbraw/zinc/37/57/93/1310375793.db2.gz CWJSESHZUQKJKO-IRFCIJBXSA-N 2 3 325.500 2.382 20 0 EEADHP CCOC(=O)CC1(N)CC[NH+]([C@@H](C)CCC[NH+](CC)CC)CC1 ZINC001258907521 1319372089 /nfs/dbraw/zinc/37/20/89/1319372089.db2.gz SMJNGGSQQFBVOM-INIZCTEOSA-N 2 3 327.513 2.243 20 0 EEADHP CCOC(=O)CC1([NH3+])CCN([C@@H](C)CCC[NH+](CC)CC)CC1 ZINC001258907521 1319372093 /nfs/dbraw/zinc/37/20/93/1319372093.db2.gz SMJNGGSQQFBVOM-INIZCTEOSA-N 2 3 327.513 2.243 20 0 EEADHP CCN1CCC[C@H]1CNC(=[NH2+])NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000083052605 783929373 /nfs/dbraw/zinc/92/93/73/783929373.db2.gz CMIHAKRUHULGBV-MJGOQNOKSA-N 2 3 345.535 2.286 20 0 EEADHP CCN1CCC[C@H]1CNC(=[NH2+])NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000083052605 783929377 /nfs/dbraw/zinc/92/93/77/783929377.db2.gz CMIHAKRUHULGBV-MJGOQNOKSA-N 2 3 345.535 2.286 20 0 EEADHP [NH3+][C@H]1CCCO[C@H]1C1CCN(Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000582127502 324387008 /nfs/dbraw/zinc/38/70/08/324387008.db2.gz XHVZKBIKEIUEFC-PMACEKPBSA-N 2 3 329.488 2.051 20 0 EEADHP C(CN1CC[C@@H](C[NH+]2CCCC2)C1)CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000119060504 462871121 /nfs/dbraw/zinc/87/11/21/462871121.db2.gz SFMBPSDQDBULBS-OYRHEFFESA-N 2 3 348.579 2.212 20 0 EEADHP N[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000580062859 468459289 /nfs/dbraw/zinc/45/92/89/468459289.db2.gz VFZLIZFIOKIDKS-ZCNNSNEGSA-N 2 3 331.504 2.393 20 0 EEADHP N[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000580062859 468459292 /nfs/dbraw/zinc/45/92/92/468459292.db2.gz VFZLIZFIOKIDKS-ZCNNSNEGSA-N 2 3 331.504 2.393 20 0 EEADHP N[C@@H]1CCCCC[C@@H]1[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000423520274 466764819 /nfs/dbraw/zinc/76/48/19/466764819.db2.gz FBFKTFSUOGZLMM-MOPGFXCFSA-N 2 3 330.520 2.230 20 0 EEADHP [NH3+][C@@H]1CCCCC[C@@H]1NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000423520274 466764823 /nfs/dbraw/zinc/76/48/23/466764823.db2.gz FBFKTFSUOGZLMM-MOPGFXCFSA-N 2 3 330.520 2.230 20 0 EEADHP CC(C)[NH+]1CCC(NCC2([NH3+])CCN(Cc3ccccc3)CC2)CC1 ZINC000415134280 467498286 /nfs/dbraw/zinc/49/82/86/467498286.db2.gz OKYPQTJQQJFFMB-UHFFFAOYSA-N 2 3 344.547 2.442 20 0 EEADHP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000925708008 1206144753 /nfs/dbraw/zinc/14/47/53/1206144753.db2.gz BCDVGTOLAYKPOE-VCWRXUFXSA-N 2 3 328.504 2.399 20 0 EEADHP CCOC(=O)C[C@H](N[C@H]1CC[NH2+][C@H](C(C)(C)C)C1)C1CC[NH2+]CC1 ZINC001246231444 1310263448 /nfs/dbraw/zinc/26/34/48/1310263448.db2.gz UGHJQQXIAOHZIQ-ULQDDVLXSA-N 2 3 339.524 2.064 20 0 EEADHP C[NH+]1CCC(Oc2ccc(CNCCC3([NH3+])CCOCC3)cc2)CC1 ZINC001578525742 1344286832 /nfs/dbraw/zinc/28/68/32/1344286832.db2.gz ORXVWZBYQWPHSZ-UHFFFAOYSA-N 2 3 347.503 2.147 20 0 EEADHP CC[NH+](CC)CCO[C@H]1CCN(Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873209279 1198530607 /nfs/dbraw/zinc/53/06/07/1198530607.db2.gz KXQUQOKCLQJGKF-INIZCTEOSA-N 2 3 337.533 2.327 20 0 EEADHP c1c(CN2CCC(OC3CC[NH2+]CC3)CC2)sc2c1C[NH2+]CC2 ZINC001235295887 1305180784 /nfs/dbraw/zinc/18/07/84/1305180784.db2.gz SIXHTTWLYIGIHN-UHFFFAOYSA-N 2 3 335.517 2.127 20 0 EEADHP C[C@H]1CC[N@H+](CC2(O)CCN(Cc3ccccc3)CC2)CC[C@@H]1C[NH3+] ZINC001246023371 1310213312 /nfs/dbraw/zinc/21/33/12/1310213312.db2.gz PPZYNUMIEAUXMB-AZUAARDMSA-N 2 3 345.531 2.320 20 0 EEADHP C[C@H]1CC[N@@H+](CC2(O)CCN(Cc3ccccc3)CC2)CC[C@@H]1C[NH3+] ZINC001246023371 1310213314 /nfs/dbraw/zinc/21/33/14/1310213314.db2.gz PPZYNUMIEAUXMB-AZUAARDMSA-N 2 3 345.531 2.320 20 0 EEADHP CCN1CCN(c2ccccc2C[NH+]2CCC3(CC[NH2+]C3)CC2)CC1 ZINC000430956290 314598982 /nfs/dbraw/zinc/59/89/82/314598982.db2.gz NZISEZGZKWHKIR-UHFFFAOYSA-N 2 3 342.531 2.404 20 0 EEADHP c1ccc([C@H]2C[C@@H](Nc3cc(N4CCNCC4)cc[nH+]3)CC[NH2+]2)cc1 ZINC000635009277 470399671 /nfs/dbraw/zinc/39/96/71/470399671.db2.gz GRRIAAVCTKYXQJ-PKOBYXMFSA-N 2 3 337.471 2.396 20 0 EEADHP OC1(C[NH2+]CCCN2CCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000397705499 1176800875 /nfs/dbraw/zinc/80/08/75/1176800875.db2.gz XBPQWTHZIHMWBT-UHFFFAOYSA-N 2 3 331.504 2.089 20 0 EEADHP CC1([NH+]2CCCC2)CCC(NCc2cnnn2[C@@H]2CCC[NH2+]C2)CC1 ZINC000903986702 1242879271 /nfs/dbraw/zinc/87/92/71/1242879271.db2.gz PUOHCGYEJGCWMX-TVRKMHQQSA-N 2 3 346.523 2.089 20 0 EEADHP C[C@@H](CN1CC[NH2+]CC1)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001246083109 1310231770 /nfs/dbraw/zinc/23/17/70/1310231770.db2.gz ZLRJDGMUXCKQKA-HUUJSLGLSA-N 2 3 344.547 2.311 20 0 EEADHP C[C@@H](CN1CC[NH2+]CC1)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001246083109 1310231774 /nfs/dbraw/zinc/23/17/74/1310231774.db2.gz ZLRJDGMUXCKQKA-HUUJSLGLSA-N 2 3 344.547 2.311 20 0 EEADHP Cc1cc(F)ccc1[C@@H]1C[C@H]([NH2+]CCCC[NH+]2CCNCC2)CCN1 ZINC001246088543 1310233604 /nfs/dbraw/zinc/23/36/04/1310233604.db2.gz KSZINKNLJADEIN-QUCCMNQESA-N 2 3 348.510 2.202 20 0 EEADHP c1ccc([C@]23CCNC[C@@H]2C[N@H+]([C@H]2C[C@H]4C[NH2+]C[C@H]4C2)CC3)cc1 ZINC001246672094 1310377404 /nfs/dbraw/zinc/37/74/04/1310377404.db2.gz JJIRHEGOROZXCE-CXUGJCBMSA-N 2 3 325.500 2.238 20 0 EEADHP c1ccc([C@]23CCNC[C@@H]2C[N@@H+]([C@H]2C[C@H]4C[NH2+]C[C@H]4C2)CC3)cc1 ZINC001246672094 1310377414 /nfs/dbraw/zinc/37/74/14/1310377414.db2.gz JJIRHEGOROZXCE-CXUGJCBMSA-N 2 3 325.500 2.238 20 0 EEADHP CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H](CCC[NH3+])NC(=O)OC(C)(C)C)C2 ZINC001172116610 796892440 /nfs/dbraw/zinc/89/24/40/796892440.db2.gz HYAFZHSHDPBGED-LVQVYYBASA-N 2 3 340.512 2.181 20 0 EEADHP CCC[NH+]1CCC(NCC2([NH3+])CCN(Cc3ccccc3)CC2)CC1 ZINC000415135264 313119854 /nfs/dbraw/zinc/11/98/54/313119854.db2.gz QBLOACZMNJSBRH-UHFFFAOYSA-N 2 3 344.547 2.444 20 0 EEADHP c1ccc([C@@H]2C[C@@H](Nc3cc(N4CCNCC4)cc[nH+]3)CC[NH2+]2)cc1 ZINC000635009265 470400144 /nfs/dbraw/zinc/40/01/44/470400144.db2.gz GRRIAAVCTKYXQJ-HKUYNNGSSA-N 2 3 337.471 2.396 20 0 EEADHP C[C@H]1CC([NH2+]CCCNCCC[NH3+])C[C@H](C)N1Cc1ccccc1 ZINC001246452043 1310315433 /nfs/dbraw/zinc/31/54/33/1310315433.db2.gz IRWMEHCLFHLBMC-ROUUACIJSA-N 2 3 332.536 2.346 20 0 EEADHP C[C@@H]([NH2+]Cc1ccc(CN2CCC(O)CC2)cc1)C1CC[NH+](C)CC1 ZINC000132826017 539423468 /nfs/dbraw/zinc/42/34/68/539423468.db2.gz NTECZJNXKOSUFZ-QGZVFWFLSA-N 2 3 345.531 2.463 20 0 EEADHP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000423579864 466777526 /nfs/dbraw/zinc/77/75/26/466777526.db2.gz WUBIXXYHIRNRJU-HBFSDRIKSA-N 2 3 344.547 2.298 20 0 EEADHP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000423579864 466777532 /nfs/dbraw/zinc/77/75/32/466777532.db2.gz WUBIXXYHIRNRJU-HBFSDRIKSA-N 2 3 344.547 2.298 20 0 EEADHP C[C@H]([NH3+])[C@@H]1CCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000435375692 467463626 /nfs/dbraw/zinc/46/36/26/467463626.db2.gz NPGRDUSOUAPGRY-DLBZAZTESA-N 2 3 330.520 2.386 20 0 EEADHP [NH3+]CC1CCC([NH2+]Cc2ccccc2CN2CCC(O)CC2)CC1 ZINC000643460235 470702879 /nfs/dbraw/zinc/70/28/79/470702879.db2.gz DBKGAYDHOSBFIA-UHFFFAOYSA-N 2 3 331.504 2.250 20 0 EEADHP CC[NH+](CC)CCO[C@H]1CCN(Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662265023 472050191 /nfs/dbraw/zinc/05/01/91/472050191.db2.gz UBQPWTJBBMQSNP-IBGZPJMESA-N 2 3 331.504 2.265 20 0 EEADHP c1cc(CN2CC[NH2+]CC2)ccc1CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000925819026 1206157649 /nfs/dbraw/zinc/15/76/49/1206157649.db2.gz XIBCJVDIVQTCHE-PWRODBHTSA-N 2 3 342.531 2.102 20 0 EEADHP C[NH+](C)CCCC[C@H](N)C(=O)Nc1ccc(C2CC[NH+](C)CC2)cc1 ZINC001218822028 1297813027 /nfs/dbraw/zinc/81/30/27/1297813027.db2.gz JCGBBDUVYKQHKV-IBGZPJMESA-N 2 3 346.519 2.494 20 0 EEADHP [NH3+]CCCCN1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001235599851 1305296108 /nfs/dbraw/zinc/29/61/08/1305296108.db2.gz DRFPXIFSPLSHKQ-KRWDZBQOSA-N 2 3 338.446 2.354 20 0 EEADHP [NH3+]CCCCN1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001235599851 1305296111 /nfs/dbraw/zinc/29/61/11/1305296111.db2.gz DRFPXIFSPLSHKQ-KRWDZBQOSA-N 2 3 338.446 2.354 20 0 EEADHP CCCC[C@@H]1C[C@@H](N[C@@H](CC(=O)OCC)C2CC[NH2+]CC2)CC[NH2+]1 ZINC001246231664 1310262614 /nfs/dbraw/zinc/26/26/14/1310262614.db2.gz WAQKOXNEDQCFCH-SQNIBIBYSA-N 2 3 339.524 2.208 20 0 EEADHP CC[N@@H+]1CC[C@@H](CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)C1 ZINC000849071702 1373204092 /nfs/dbraw/zinc/20/40/92/1373204092.db2.gz BDJFRXRIZZQXDT-SFHVURJKSA-N 2 3 343.519 2.107 20 0 EEADHP CC[N@H+]1CC[C@@H](CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)C1 ZINC000849071702 1373204094 /nfs/dbraw/zinc/20/40/94/1373204094.db2.gz BDJFRXRIZZQXDT-SFHVURJKSA-N 2 3 343.519 2.107 20 0 EEADHP CN1CCN(Cc2ccc(C[NH2+]C3CCC(C[NH3+])CC3)cc2)CC1 ZINC000422704731 240185861 /nfs/dbraw/zinc/18/58/61/240185861.db2.gz AOBUIXURAIPVPD-UHFFFAOYSA-N 2 3 330.520 2.041 20 0 EEADHP CCN1CCC([NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000415135225 313119942 /nfs/dbraw/zinc/11/99/42/313119942.db2.gz PXNSMNWMLVGDBC-UHFFFAOYSA-N 2 3 330.520 2.054 20 0 EEADHP C[C@@]1(C[NH3+])CCC[N@H+](CC2(O)CCN(Cc3ccccc3)CC2)CC1 ZINC001246022867 1310211242 /nfs/dbraw/zinc/21/12/42/1310211242.db2.gz PNOHYFCTKZVWGA-HXUWFJFHSA-N 2 3 345.531 2.464 20 0 EEADHP C[C@@]1(C[NH3+])CCC[N@@H+](CC2(O)CCN(Cc3ccccc3)CC2)CC1 ZINC001246022867 1310211251 /nfs/dbraw/zinc/21/12/51/1310211251.db2.gz PNOHYFCTKZVWGA-HXUWFJFHSA-N 2 3 345.531 2.464 20 0 EEADHP COc1ccccc1C1(C[NH2+][C@@H]2C[C@@H](C)N[C@@H](C)C2)CC[NH2+]CC1 ZINC001246415899 1310305776 /nfs/dbraw/zinc/30/57/76/1310305776.db2.gz NERFVOUBIZLYFJ-BJWYYQGGSA-N 2 3 331.504 2.435 20 0 EEADHP Cc1cc(F)ccc1[C@@H]1C[C@@H](N2CCC3(CC2)C[NH2+]CCO3)CC[NH2+]1 ZINC001246605088 1310355591 /nfs/dbraw/zinc/35/55/91/1310355591.db2.gz SPINMWCBZHLRLG-HKUYNNGSSA-N 2 3 347.478 2.382 20 0 EEADHP c1c(C2CCN(C[C@H]3CCC[NH2+]C3)CC2)n[nH]c1C1CC[NH2+]CC1 ZINC001771780665 1409948251 /nfs/dbraw/zinc/94/82/51/1409948251.db2.gz BYPNEOOIRJXWTL-HNNXBMFYSA-N 2 3 331.508 2.056 20 0 EEADHP [NH3+]C[C@@H]1CCCC[C@H]1NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000423029596 240336213 /nfs/dbraw/zinc/33/62/13/240336213.db2.gz IOHWIABDGPBSQR-PWIZWCRZSA-N 2 3 331.504 2.250 20 0 EEADHP [NH3+]C[C@@H]1CCCC[C@H]1NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000423029596 240336217 /nfs/dbraw/zinc/33/62/17/240336217.db2.gz IOHWIABDGPBSQR-PWIZWCRZSA-N 2 3 331.504 2.250 20 0 EEADHP C[C@H]1C[C@H](C[NH3+])CN1Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000435371942 467463430 /nfs/dbraw/zinc/46/34/30/467463430.db2.gz PDJUMNRNKYJLQU-DLBZAZTESA-N 2 3 330.520 2.386 20 0 EEADHP COc1ccc([C@H](C[NH3+])CN2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000652363454 471280204 /nfs/dbraw/zinc/28/02/04/471280204.db2.gz FGOSMPBOYHQICK-LFGUQSLTSA-N 2 3 347.503 2.098 20 0 EEADHP [NH3+]CCC[C@H](NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccccc1 ZINC000925621048 1206136577 /nfs/dbraw/zinc/13/65/77/1206136577.db2.gz YCLRQFLCERZHQY-XUVXKRRUSA-N 2 3 331.504 2.434 20 0 EEADHP c1ccc(C[C@@H]2C[C@H]([NH2+]C[C@@H]3CCC4(CC[NH2+]CC4)O3)CCN2)cc1 ZINC001246134124 1310243298 /nfs/dbraw/zinc/24/32/98/1310243298.db2.gz LTZJCRJXXMHSOQ-AQNXPRMDSA-N 2 3 343.515 2.241 20 0 EEADHP O[C@]1(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CCCNC1 ZINC000405070891 1409790734 /nfs/dbraw/zinc/79/07/34/1409790734.db2.gz DZQHLSKZIPMDJI-OAQYLSRUSA-N 2 3 343.515 2.089 20 0 EEADHP O[C@]1(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CCCNC1 ZINC000405070891 1409790736 /nfs/dbraw/zinc/79/07/36/1409790736.db2.gz DZQHLSKZIPMDJI-OAQYLSRUSA-N 2 3 343.515 2.089 20 0 EEADHP CCOC(=O)C1([C@@H](C)[NH2+]CCCN2CCC(C)CC2)CC[NH2+]CC1 ZINC000422781841 240222823 /nfs/dbraw/zinc/22/28/23/240222823.db2.gz LDEBWYYOGWDRTB-QGZVFWFLSA-N 2 3 339.524 2.019 20 0 EEADHP CCOC(=O)C1([C@@H](C)NCCC[NH+]2CCC(C)CC2)CC[NH2+]CC1 ZINC000422781841 240222835 /nfs/dbraw/zinc/22/28/35/240222835.db2.gz LDEBWYYOGWDRTB-QGZVFWFLSA-N 2 3 339.524 2.019 20 0 EEADHP N[C@H]1CCCCC[C@H]1[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000423520277 466764666 /nfs/dbraw/zinc/76/46/66/466764666.db2.gz FBFKTFSUOGZLMM-RBUKOAKNSA-N 2 3 330.520 2.230 20 0 EEADHP [NH3+][C@H]1CCCCC[C@H]1NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000423520277 466764670 /nfs/dbraw/zinc/76/46/70/466764670.db2.gz FBFKTFSUOGZLMM-RBUKOAKNSA-N 2 3 330.520 2.230 20 0 EEADHP CCCN1CCN(c2ccccc2C[NH+]2CCC(C[NH3+])CC2)CC1 ZINC000435384253 467464632 /nfs/dbraw/zinc/46/46/32/467464632.db2.gz LGFFCNGNYAYKFQ-UHFFFAOYSA-N 2 3 330.520 2.389 20 0 EEADHP C[C@@H](CN1CC[NH2+]CC1)NC1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001246083107 1310232040 /nfs/dbraw/zinc/23/20/40/1310232040.db2.gz ZLRJDGMUXCKQKA-FHWLQOOXSA-N 2 3 344.547 2.311 20 0 EEADHP Cc1cc(F)ccc1[C@H]1C[C@@H]([NH2+]CCCC[NH+]2CCNCC2)CCN1 ZINC001246088541 1310233770 /nfs/dbraw/zinc/23/37/70/1310233770.db2.gz KSZINKNLJADEIN-AZUAARDMSA-N 2 3 348.510 2.202 20 0 EEADHP COc1ccc(CC2(C[NH2+][C@@H]3CCN[C@@H](C)C3)CC[NH2+]CC2)cc1 ZINC001246394486 1310298977 /nfs/dbraw/zinc/29/89/77/1310298977.db2.gz UOVOOLCXPMDREU-FUHWJXTLSA-N 2 3 331.504 2.338 20 0 EEADHP c1ccc([C@]23CCNC[C@H]2C[N@H+]([C@H]2C[C@H]4C[NH2+]C[C@H]4C2)CC3)cc1 ZINC001246672097 1310377572 /nfs/dbraw/zinc/37/75/72/1310377572.db2.gz JJIRHEGOROZXCE-YZUZWNONSA-N 2 3 325.500 2.238 20 0 EEADHP c1ccc([C@]23CCNC[C@H]2C[N@@H+]([C@H]2C[C@H]4C[NH2+]C[C@H]4C2)CC3)cc1 ZINC001246672097 1310377577 /nfs/dbraw/zinc/37/75/77/1310377577.db2.gz JJIRHEGOROZXCE-YZUZWNONSA-N 2 3 325.500 2.238 20 0 EEADHP CN1CCC([N@H+](C2CCNCC2)[C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001246995941 1310498286 /nfs/dbraw/zinc/49/82/86/1310498286.db2.gz WBVJLXHPSFCYEF-WOJBJXKFSA-N 2 3 334.552 2.057 20 0 EEADHP CN1CCC([N@@H+](C2CCNCC2)[C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001246995941 1310498294 /nfs/dbraw/zinc/49/82/94/1310498294.db2.gz WBVJLXHPSFCYEF-WOJBJXKFSA-N 2 3 334.552 2.057 20 0 EEADHP c1ccc(CN2CC[C@H](C[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000423089012 240360799 /nfs/dbraw/zinc/36/07/99/240360799.db2.gz UFUQUDAJSLAIAQ-XRXFAXGQSA-N 2 3 343.515 2.255 20 0 EEADHP CN(c1ccccc1C[NH2+][C@@H]1CC[C@H](C[NH3+])C1)C1CCN(C)CC1 ZINC000415037068 467472677 /nfs/dbraw/zinc/47/26/77/467472677.db2.gz LYBXGYBIUDRRED-FUHWJXTLSA-N 2 3 330.520 2.434 20 0 EEADHP c1cc(N2CCNCC2)cc(N[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)[nH+]1 ZINC000635008940 470399894 /nfs/dbraw/zinc/39/98/94/470399894.db2.gz FORGQMWLFRHCOT-KZNAEPCWSA-N 2 3 329.492 2.214 20 0 EEADHP CC(C)(C)[PH+](CCCNC(=O)[C@@H]1C[NH2+]CC12CNC2)C(C)(C)C ZINC001221272149 1298740869 /nfs/dbraw/zinc/74/08/69/1298740869.db2.gz XFVVCIIBHABDDV-AWEZNQCLSA-N 2 3 341.480 2.381 20 0 EEADHP CC[C@@H]1C[C@@H]([NH2+]CC2(c3ccc(OC)cc3)CC[NH2+]CC2)CCN1 ZINC001246414195 1310303900 /nfs/dbraw/zinc/30/39/00/1310303900.db2.gz HUVRSONENPXUMI-MSOLQXFVSA-N 2 3 331.504 2.437 20 0 EEADHP COc1ccc([C@H]2C[C@@H](NCCC[NH2+]CCCC[NH3+])CCO2)cc1 ZINC001246455443 1310314603 /nfs/dbraw/zinc/31/46/03/1310314603.db2.gz FKGPWMPDAREHKR-PKOBYXMFSA-N 2 3 335.492 2.224 20 0 EEADHP CC[NH+](CC)C[C@@H](O)CNCC1CC[NH+](CC2CCCC2)CC1 ZINC001253211097 1317799626 /nfs/dbraw/zinc/79/96/26/1317799626.db2.gz AHZVNNQVNDHMQJ-IBGZPJMESA-N 2 3 325.541 2.181 20 0 EEADHP C[N@H+](Cc1ccccc1)C1CCC(NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000423491086 466756635 /nfs/dbraw/zinc/75/66/35/466756635.db2.gz JCUQFCHTEZJGMK-MHJFOBGBSA-N 2 3 331.504 2.398 20 0 EEADHP C[N@@H+](Cc1ccccc1)C1CCC(NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000423491086 466756640 /nfs/dbraw/zinc/75/66/40/466756640.db2.gz JCUQFCHTEZJGMK-MHJFOBGBSA-N 2 3 331.504 2.398 20 0 EEADHP C[NH+](C)CCN1CC[C@H]2C[N@@H+](Cc3c[nH]c4ccncc34)C[C@H]2CC1 ZINC001276128188 1205789668 /nfs/dbraw/zinc/78/96/68/1205789668.db2.gz KYSZLTZBRZAMMZ-CALCHBBNSA-N 2 3 341.503 2.268 20 0 EEADHP C[NH+](C)CCN1CC[C@H]2C[N@H+](Cc3c[nH]c4ccncc34)C[C@H]2CC1 ZINC001276128188 1205789669 /nfs/dbraw/zinc/78/96/69/1205789669.db2.gz KYSZLTZBRZAMMZ-CALCHBBNSA-N 2 3 341.503 2.268 20 0 EEADHP CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H](CCC[NH3+])NC(=O)OC(C)(C)C)C2 ZINC001172116606 796891837 /nfs/dbraw/zinc/89/18/37/796891837.db2.gz HYAFZHSHDPBGED-JONQDZQNSA-N 2 3 340.512 2.181 20 0 EEADHP C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000422832709 240250123 /nfs/dbraw/zinc/25/01/23/240250123.db2.gz VKESNRCYWWRFMF-JCGIZDLHSA-N 2 3 337.533 2.302 20 0 EEADHP CN(C)CCOc1ccc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000647542173 470926520 /nfs/dbraw/zinc/92/65/20/470926520.db2.gz LJRMHISMEFJJKS-IBGZPJMESA-N 2 3 331.504 2.449 20 0 EEADHP C[NH+](C)CCOc1ccc(CN2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000647542173 470926524 /nfs/dbraw/zinc/92/65/24/470926524.db2.gz LJRMHISMEFJJKS-IBGZPJMESA-N 2 3 331.504 2.449 20 0 EEADHP OC1CCN(Cc2ccccc2C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000647788655 470984636 /nfs/dbraw/zinc/98/46/36/470984636.db2.gz NSUWMGCTMAMEAW-YZGWKJHDSA-N 2 3 343.515 2.121 20 0 EEADHP COc1ccc([C@@H](C[NH3+])CN2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662294725 472059212 /nfs/dbraw/zinc/05/92/12/472059212.db2.gz SFCWHPOHGIWHLJ-OALUTQOASA-N 2 3 331.504 2.449 20 0 EEADHP CCN1CCN(CCC[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)CC1 ZINC000924662199 1206013858 /nfs/dbraw/zinc/01/38/58/1206013858.db2.gz PZWPHLRVEAABSF-SFHVURJKSA-N 2 3 332.536 2.426 20 0 EEADHP C[C@H]1CC[N@H+](CC2(O)CCN(Cc3ccccc3)CC2)CC[C@H]1C[NH3+] ZINC001246023373 1310213059 /nfs/dbraw/zinc/21/30/59/1310213059.db2.gz PPZYNUMIEAUXMB-ICSRJNTNSA-N 2 3 345.531 2.320 20 0 EEADHP C[C@H]1CC[N@@H+](CC2(O)CCN(Cc3ccccc3)CC2)CC[C@H]1C[NH3+] ZINC001246023373 1310213063 /nfs/dbraw/zinc/21/30/63/1310213063.db2.gz PPZYNUMIEAUXMB-ICSRJNTNSA-N 2 3 345.531 2.320 20 0 EEADHP c1ccc([C@]23CCNC[C@H]2C[N@H+]([C@@H]2C[C@H]4C[NH2+]C[C@H]4C2)CC3)cc1 ZINC001246672095 1310377057 /nfs/dbraw/zinc/37/70/57/1310377057.db2.gz JJIRHEGOROZXCE-GBMAXXPESA-N 2 3 325.500 2.238 20 0 EEADHP c1ccc([C@]23CCNC[C@H]2C[N@@H+]([C@@H]2C[C@H]4C[NH2+]C[C@H]4C2)CC3)cc1 ZINC001246672095 1310377066 /nfs/dbraw/zinc/37/70/66/1310377066.db2.gz JJIRHEGOROZXCE-GBMAXXPESA-N 2 3 325.500 2.238 20 0 EEADHP C[NH+](C)Cc1cccc(C[NH2+]C2CCC(N3CCOCC3)CC2)c1 ZINC001256678478 1318827143 /nfs/dbraw/zinc/82/71/43/1318827143.db2.gz MSXFPHRVFJNHOB-UHFFFAOYSA-N 2 3 331.504 2.481 20 0 EEADHP CCN1CCN(c2ccccc2C[NH2+]CCC[C@@H]2CCC[NH2+]2)CC1 ZINC000414980870 467459657 /nfs/dbraw/zinc/45/96/57/467459657.db2.gz XARIBWMUACOVDJ-LJQANCHMSA-N 2 3 330.520 2.450 20 0 EEADHP c1ccc(C[C@@H]2C[C@@H]([NH2+][C@@H]3CCOC4(CC[NH2+]CC4)C3)CCN2)cc1 ZINC001246253137 1310267792 /nfs/dbraw/zinc/26/77/92/1310267792.db2.gz CAFQCQGWCVOKOR-XUVXKRRUSA-N 2 3 343.515 2.241 20 0 EEADHP COc1ccccc1CC1(C[NH2+][C@H]2CCN[C@H](C)C2)CC[NH2+]CC1 ZINC001246419274 1310306130 /nfs/dbraw/zinc/30/61/30/1310306130.db2.gz GXQCALCOMGFKTD-AEFFLSMTSA-N 2 3 331.504 2.338 20 0 EEADHP CCOC(=O)c1ccc(C[C@@H](C)NCCC[NH2+]CCCC[NH3+])cc1 ZINC001246458860 1310316413 /nfs/dbraw/zinc/31/64/13/1310316413.db2.gz WEGHAIUIYPTSDE-MRXNPFEDSA-N 2 3 335.492 2.103 20 0 EEADHP c1cc(N2CCC([NH2+][C@H]3CC[C@H](N4CCOCC4)CC3)CC2)cc[nH+]1 ZINC001256854031 1318872830 /nfs/dbraw/zinc/87/28/30/1318872830.db2.gz HCTSCRHPIDOCGO-UAPYVXQJSA-N 2 3 344.503 2.283 20 0 EEADHP CCN1CCN(c2ccccc2C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)CC1 ZINC000414765902 313081401 /nfs/dbraw/zinc/08/14/01/313081401.db2.gz GXWBZTSANMYNQS-KDURUIRLSA-N 2 3 342.531 2.260 20 0 EEADHP CCN1CCN(c2ccccc2C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)CC1 ZINC000414765902 313081406 /nfs/dbraw/zinc/08/14/06/313081406.db2.gz GXWBZTSANMYNQS-KDURUIRLSA-N 2 3 342.531 2.260 20 0 EEADHP COc1ccc([C@H](C[NH3+])CN2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000652363452 471279820 /nfs/dbraw/zinc/27/98/20/471279820.db2.gz FGOSMPBOYHQICK-BWPNAZKDSA-N 2 3 347.503 2.098 20 0 EEADHP COc1cccc(C2(C[NH2+][C@H]3CCNC(C)(C)C3)CC[NH2+]CC2)c1 ZINC001246387698 1310296782 /nfs/dbraw/zinc/29/67/82/1310296782.db2.gz JGMMHYAHPIGVPO-KRWDZBQOSA-N 2 3 331.504 2.437 20 0 EEADHP CC[C@H]1C[C@H](NCC2(c3ccccc3OC)CC[NH2+]CC2)CC[NH2+]1 ZINC001246415308 1310303841 /nfs/dbraw/zinc/30/38/41/1310303841.db2.gz LCAIAAAVYLODDK-DLBZAZTESA-N 2 3 331.504 2.437 20 0 EEADHP Cc1cc2[nH]ccc2c(N2CCN(CC3CC[NH+](C)CC3)CC2)[nH+]1 ZINC001157837615 1318897560 /nfs/dbraw/zinc/89/75/60/1318897560.db2.gz DWQFOJKPJLPVMQ-UHFFFAOYSA-N 2 3 327.476 2.335 20 0 EEADHP CCC[NH+](CCC)CCN1CCN(CC2CC[NH+](CC)CC2)CC1 ZINC001208601938 1324582790 /nfs/dbraw/zinc/58/27/90/1324582790.db2.gz TYNSHLCDGRJWFB-UHFFFAOYSA-N 2 3 338.584 2.458 20 0 EEADHP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167991572 781478868 /nfs/dbraw/zinc/47/88/68/781478868.db2.gz CXZSMDRWUINNAJ-SPYJTGKRSA-N 2 3 346.563 2.102 20 0 EEADHP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167991572 781478878 /nfs/dbraw/zinc/47/88/78/781478878.db2.gz CXZSMDRWUINNAJ-SPYJTGKRSA-N 2 3 346.563 2.102 20 0 EEADHP Cc1nc(NC[C@H]2CCC[NH+](C)C2)cc(NC[C@@H]2CCC[N@@H+](C)C2)n1 ZINC000536987871 448548418 /nfs/dbraw/zinc/54/84/18/448548418.db2.gz OVJVILWESPPLJM-CALCHBBNSA-N 2 3 346.523 2.292 20 0 EEADHP Cc1nc(NC[C@H]2CCC[NH+](C)C2)cc(NC[C@@H]2CCC[N@H+](C)C2)n1 ZINC000536987871 448548423 /nfs/dbraw/zinc/54/84/23/448548423.db2.gz OVJVILWESPPLJM-CALCHBBNSA-N 2 3 346.523 2.292 20 0 EEADHP Cc1nc(NC[C@H]2CCC[N@H+](C)C2)cc(NC[C@@H]2CCC[NH+](C)C2)n1 ZINC000536987871 448548428 /nfs/dbraw/zinc/54/84/28/448548428.db2.gz OVJVILWESPPLJM-CALCHBBNSA-N 2 3 346.523 2.292 20 0 EEADHP Cc1nc(NC[C@H]2CCC[N@@H+](C)C2)cc(NC[C@@H]2CCC[NH+](C)C2)n1 ZINC000536987871 448548431 /nfs/dbraw/zinc/54/84/31/448548431.db2.gz OVJVILWESPPLJM-CALCHBBNSA-N 2 3 346.523 2.292 20 0 EEADHP CC[N@@H+]1CC[C@H](NCC2([NH3+])CCN(Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000415139970 467498964 /nfs/dbraw/zinc/49/89/64/467498964.db2.gz YIRPNZDPVCNWJD-ICSRJNTNSA-N 2 3 344.547 2.300 20 0 EEADHP CC[N@H+]1CC[C@H](NCC2([NH3+])CCN(Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000415139970 467498965 /nfs/dbraw/zinc/49/89/65/467498965.db2.gz YIRPNZDPVCNWJD-ICSRJNTNSA-N 2 3 344.547 2.300 20 0 EEADHP CC[N@@H+]1CC[C@H](NCC2([NH3+])CCN(Cc3ccccc3)CC2)[C@H](C)C1 ZINC000415139971 467499568 /nfs/dbraw/zinc/49/95/68/467499568.db2.gz YIRPNZDPVCNWJD-QUCCMNQESA-N 2 3 344.547 2.300 20 0 EEADHP CC[N@H+]1CC[C@H](NCC2([NH3+])CCN(Cc3ccccc3)CC2)[C@H](C)C1 ZINC000415139971 467499572 /nfs/dbraw/zinc/49/95/72/467499572.db2.gz YIRPNZDPVCNWJD-QUCCMNQESA-N 2 3 344.547 2.300 20 0 EEADHP C[C@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)C1CC[NH+](C)CC1 ZINC000126751102 490659539 /nfs/dbraw/zinc/65/95/39/490659539.db2.gz DQPOSBVLYYJYOO-SFHVURJKSA-N 2 3 344.547 2.254 20 0 EEADHP C([C@H]1CC2(CO1)CC[NH2+]CC2)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000903756600 1241849475 /nfs/dbraw/zinc/84/94/75/1241849475.db2.gz TUOGCVHYGSCTTD-BHIYHBOVSA-N 2 3 333.520 2.094 20 0 EEADHP C([C@H]1CC2(CO1)CC[NH2+]CC2)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000903756600 1241849485 /nfs/dbraw/zinc/84/94/85/1241849485.db2.gz TUOGCVHYGSCTTD-BHIYHBOVSA-N 2 3 333.520 2.094 20 0 EEADHP c1ccc(CC2([NH2+][C@@H]3CCC4(C3)CC[NH2+]CC4)CCNCC2)nc1 ZINC001246369292 1310291664 /nfs/dbraw/zinc/29/16/64/1310291664.db2.gz GVBPCZZLZPEZNM-GOSISDBHSA-N 2 3 328.504 2.258 20 0 EEADHP Cc1nc(C2CC[NH2+]CC2)sc1CN1CCC(F)(C[NH3+])CC1 ZINC001222542203 1299670589 /nfs/dbraw/zinc/67/05/89/1299670589.db2.gz BKYNFCNPCJOOPZ-UHFFFAOYSA-N 2 3 326.485 2.181 20 0 EEADHP N[C@@H]1CCCCC[C@H]1[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000423520278 466764062 /nfs/dbraw/zinc/76/40/62/466764062.db2.gz FBFKTFSUOGZLMM-RTBURBONSA-N 2 3 330.520 2.230 20 0 EEADHP [NH3+][C@@H]1CCCCC[C@H]1NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000423520278 466764065 /nfs/dbraw/zinc/76/40/65/466764065.db2.gz FBFKTFSUOGZLMM-RTBURBONSA-N 2 3 330.520 2.230 20 0 EEADHP COc1ccc([C@H](C[NH3+])CN2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000652363455 471279921 /nfs/dbraw/zinc/27/99/21/471279921.db2.gz FGOSMPBOYHQICK-PIKOESSRSA-N 2 3 347.503 2.098 20 0 EEADHP CCN1CCN(Cc2ccccc2C[NH2+]CC2CC[NH+](C)CC2)CC1 ZINC000892596337 681904841 /nfs/dbraw/zinc/90/48/41/681904841.db2.gz HDDISJGWARTCSY-UHFFFAOYSA-N 2 3 344.547 2.256 20 0 EEADHP C[N@H+](Cc1ccccc1NC(=O)[C@@H](N)CCC[NH3+])C1CCCCC1 ZINC001219023947 1297911064 /nfs/dbraw/zinc/91/10/64/1297911064.db2.gz NNDYBKYJHSOXQV-KRWDZBQOSA-N 2 3 332.492 2.456 20 0 EEADHP C[N@@H+](Cc1ccccc1NC(=O)[C@@H](N)CCC[NH3+])C1CCCCC1 ZINC001219023947 1297911072 /nfs/dbraw/zinc/91/10/72/1297911072.db2.gz NNDYBKYJHSOXQV-KRWDZBQOSA-N 2 3 332.492 2.456 20 0 EEADHP C[NH+](C)CCOc1ccc(-c2cc(N3CC[NH2+]CC3)ccn2)cc1 ZINC001242150536 1309620358 /nfs/dbraw/zinc/62/03/58/1309620358.db2.gz SBDQEXFMQUGLSN-UHFFFAOYSA-N 2 3 326.444 2.099 20 0 EEADHP c1ccc([C@]23CC[NH2+]C[C@H]2CN([C@@H]2CSC4(C[NH2+]C4)C2)CC3)cc1 ZINC001246673536 1310376855 /nfs/dbraw/zinc/37/68/55/1310376855.db2.gz PHMGKQDUVKZBFH-CMKODMSKSA-N 2 3 343.540 2.087 20 0 EEADHP c1ccc([C@]23CCNC[C@H]2C[N@H+]([C@@H]2CSC4(C[NH2+]C4)C2)CC3)cc1 ZINC001246673536 1310376868 /nfs/dbraw/zinc/37/68/68/1310376868.db2.gz PHMGKQDUVKZBFH-CMKODMSKSA-N 2 3 343.540 2.087 20 0 EEADHP c1ccc([C@]23CCNC[C@H]2C[N@@H+]([C@@H]2CSC4(C[NH2+]C4)C2)CC3)cc1 ZINC001246673536 1310376877 /nfs/dbraw/zinc/37/68/77/1310376877.db2.gz PHMGKQDUVKZBFH-CMKODMSKSA-N 2 3 343.540 2.087 20 0 EEADHP CCCC[N@H+](C)CC1CC[NH+](C[C@H](O)[C@@H](N)Cc2ccccc2)CC1 ZINC000573807165 469212022 /nfs/dbraw/zinc/21/20/22/469212022.db2.gz WHIMIUQKXCINOZ-SFTDATJTSA-N 2 3 347.547 2.361 20 0 EEADHP CCCC[N@@H+](C)CC1CC[NH+](C[C@H](O)[C@@H](N)Cc2ccccc2)CC1 ZINC000573807165 469212029 /nfs/dbraw/zinc/21/20/29/469212029.db2.gz WHIMIUQKXCINOZ-SFTDATJTSA-N 2 3 347.547 2.361 20 0 EEADHP CCCC[N@H+](C)CC1CCN(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000573807165 469212034 /nfs/dbraw/zinc/21/20/34/469212034.db2.gz WHIMIUQKXCINOZ-SFTDATJTSA-N 2 3 347.547 2.361 20 0 EEADHP CCCC[N@@H+](C)CC1CCN(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000573807165 469212039 /nfs/dbraw/zinc/21/20/39/469212039.db2.gz WHIMIUQKXCINOZ-SFTDATJTSA-N 2 3 347.547 2.361 20 0 EEADHP C[N@@H+]1CC[C@H](NCc2ccc(CN3CC[NH2+]CC3)cc2)[C@H]2CCC[C@H]21 ZINC000925816119 1206157224 /nfs/dbraw/zinc/15/72/24/1206157224.db2.gz FUPGPFNFMYVNRK-QHAWAJNXSA-N 2 3 342.531 2.054 20 0 EEADHP C[N@H+]1CC[C@H](NCc2ccc(CN3CC[NH2+]CC3)cc2)[C@H]2CCC[C@H]21 ZINC000925816119 1206157225 /nfs/dbraw/zinc/15/72/25/1206157225.db2.gz FUPGPFNFMYVNRK-QHAWAJNXSA-N 2 3 342.531 2.054 20 0 EEADHP c1ccc(C[C@@H]2C[C@@H]([NH2+][C@H]3CCOC4(CC[NH2+]CC4)C3)CCN2)cc1 ZINC001246253133 1310267696 /nfs/dbraw/zinc/26/76/96/1310267696.db2.gz CAFQCQGWCVOKOR-SLFFLAALSA-N 2 3 343.515 2.241 20 0 EEADHP CC1(C)C[C@H]([NH2+]CCCNCCC[NH3+])CCN1Cc1ccccc1 ZINC001246453944 1310315031 /nfs/dbraw/zinc/31/50/31/1310315031.db2.gz RJYNXFWXMNWOGP-LJQANCHMSA-N 2 3 332.536 2.348 20 0 EEADHP C[C@@H]1C[C@@H](N2CCN(CCCC[NH3+])CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256538906 1318767693 /nfs/dbraw/zinc/76/76/93/1318767693.db2.gz VXPWGWBRGSXLSG-CTNGQTDRSA-N 2 3 344.547 2.396 20 0 EEADHP C[C@@H]1C[C@@H](N2CCN(CCCC[NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC001256538906 1318767698 /nfs/dbraw/zinc/76/76/98/1318767698.db2.gz VXPWGWBRGSXLSG-CTNGQTDRSA-N 2 3 344.547 2.396 20 0 EEADHP CN1CCN(Cc2cccc(C[NH2+][C@@H]3CCCC[C@H]3C[NH3+])c2)CC1 ZINC001327837720 1334353381 /nfs/dbraw/zinc/35/33/81/1334353381.db2.gz BCFYCQMJLIFTIE-VQTJNVASSA-N 2 3 330.520 2.041 20 0 EEADHP CC[NH+](CC)CCOCCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423040693 240341371 /nfs/dbraw/zinc/34/13/71/240341371.db2.gz UTZHXAFPWWWPSE-QUCCMNQESA-N 2 3 347.503 2.190 20 0 EEADHP CCN1CCN(c2ccccc2C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000346819148 276203429 /nfs/dbraw/zinc/20/34/29/276203429.db2.gz HFLPNNDSDOXDNP-IHPCNDPISA-N 2 3 342.531 2.388 20 0 EEADHP CCN1CCN(c2ccccc2C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000346819148 276203430 /nfs/dbraw/zinc/20/34/30/276203430.db2.gz HFLPNNDSDOXDNP-IHPCNDPISA-N 2 3 342.531 2.388 20 0 EEADHP C[C@H]1C[C@@H](C[NH3+])CN1Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000435371944 467462781 /nfs/dbraw/zinc/46/27/81/467462781.db2.gz PDJUMNRNKYJLQU-IRXDYDNUSA-N 2 3 330.520 2.386 20 0 EEADHP CN1CCN(CC2(C)CC[NH+](CCCC3CC[NH2+]CC3)CC2)CC1 ZINC000647990004 471039974 /nfs/dbraw/zinc/03/99/74/471039974.db2.gz PIKMRHWDQASPNR-UHFFFAOYSA-N 2 3 336.568 2.116 20 0 EEADHP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3ccc4c(c3)CNCC4)C2)C1 ZINC000652350114 471276559 /nfs/dbraw/zinc/27/65/59/471276559.db2.gz GNPOLCYIUJMQJO-SXLOBPIMSA-N 2 3 329.488 2.051 20 0 EEADHP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3ccc4c(c3)CNCC4)C2)C1 ZINC000652350114 471276561 /nfs/dbraw/zinc/27/65/61/471276561.db2.gz GNPOLCYIUJMQJO-SXLOBPIMSA-N 2 3 329.488 2.051 20 0 EEADHP C[NH+]1CCC(C)(C[NH+]2CCC3(CCN(Cc4cn[nH]c4)C3)CC2)CC1 ZINC001276454290 1322097778 /nfs/dbraw/zinc/09/77/78/1322097778.db2.gz VOVFXPBWCYKPKK-UHFFFAOYSA-N 2 3 345.535 2.430 20 0 EEADHP CN1CCN(Cc2cccc(C[NH2+][C@H]3CCCC[C@@H]3C[NH3+])c2)CC1 ZINC001327837718 1334353366 /nfs/dbraw/zinc/35/33/66/1334353366.db2.gz BCFYCQMJLIFTIE-UXHICEINSA-N 2 3 330.520 2.041 20 0 EEADHP C[C@H]1C[C@@H](C[NH+]2CCN(CCN(C)Cc3ccccc3)CC2)CC[NH2+]1 ZINC000414696315 313065360 /nfs/dbraw/zinc/06/53/60/313065360.db2.gz PETHRVAYNMCKRK-FPOVZHCZSA-N 2 3 344.547 2.124 20 0 EEADHP C[C@H](C[C@@H]1CCC[NH2+]1)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000415126268 467495913 /nfs/dbraw/zinc/49/59/13/467495913.db2.gz GFQAOBNLFRRWGM-MJGOQNOKSA-N 2 3 330.520 2.100 20 0 EEADHP [NH3+]C[C@H](CN1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1)c1ccc(F)cc1 ZINC000573198236 469080288 /nfs/dbraw/zinc/08/02/88/469080288.db2.gz RZDPDHOZGIWJLA-QRQLOZEOSA-N 2 3 335.467 2.086 20 0 EEADHP NC[C@H](C[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1)c1ccc(F)cc1 ZINC000573198236 469080296 /nfs/dbraw/zinc/08/02/96/469080296.db2.gz RZDPDHOZGIWJLA-QRQLOZEOSA-N 2 3 335.467 2.086 20 0 EEADHP CC[NH+](CC)C[C@H](O)CN1CCCC2(CCCC[NH2+]C2)CCC1 ZINC001246031394 1310215681 /nfs/dbraw/zinc/21/56/81/1310215681.db2.gz QDEUUXXJKVDRQM-SFHVURJKSA-N 2 3 325.541 2.325 20 0 EEADHP c1ccc(C[C@@H]2C[C@@H]([NH2+]C[C@@H]3CC4(CO3)CC[NH2+]CC4)CCN2)cc1 ZINC001246250494 1310266958 /nfs/dbraw/zinc/26/69/58/1310266958.db2.gz UIUBJNQLUILICZ-ZCNNSNEGSA-N 2 3 343.515 2.098 20 0 EEADHP c1ccc(C[C@@H]2C[C@@H]([NH2+]C[C@H]3CC4(CO3)CC[NH2+]CC4)CCN2)cc1 ZINC001246250493 1310267031 /nfs/dbraw/zinc/26/70/31/1310267031.db2.gz UIUBJNQLUILICZ-XUVXKRRUSA-N 2 3 343.515 2.098 20 0 EEADHP COc1ccc([C@H](CN)C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)cc1 ZINC001551396338 1124416006 /nfs/dbraw/zinc/41/60/06/1124416006.db2.gz BLHRUPVGMCYSKQ-WJFTUGDTSA-N 2 3 331.504 2.400 20 0 EEADHP COc1ccc([C@H](CN)C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)cc1 ZINC001551396338 1124416008 /nfs/dbraw/zinc/41/60/08/1124416008.db2.gz BLHRUPVGMCYSKQ-WJFTUGDTSA-N 2 3 331.504 2.400 20 0 EEADHP C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000423102349 240365467 /nfs/dbraw/zinc/36/54/67/240365467.db2.gz JZKLQYGVUWUXHQ-CWFSZBLJSA-N 2 3 347.503 2.002 20 0 EEADHP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000422914567 240290163 /nfs/dbraw/zinc/29/01/63/240290163.db2.gz UTLUUQANTXRFNZ-VDGAXYAQSA-N 2 3 347.503 2.003 20 0 EEADHP CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)CC1 ZINC000924667020 693110929 /nfs/dbraw/zinc/11/09/29/693110929.db2.gz FXDGHHZBZIZSAV-MSOLQXFVSA-N 2 3 332.536 2.425 20 0 EEADHP CC(C)(C)[C@H]1C[C@H](NCC2(c3ccccn3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246429073 1310308758 /nfs/dbraw/zinc/30/87/58/1310308758.db2.gz RKOYMWGVPAZEKK-SJLPKXTDSA-N 2 3 330.520 2.459 20 0 EEADHP [NH3+]CCCCN1CCN([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001255395488 1318385664 /nfs/dbraw/zinc/38/56/64/1318385664.db2.gz BCVYWXRIBZOPMQ-OAQYLSRUSA-N 2 3 344.547 2.398 20 0 EEADHP [NH3+]CCCCN1CCN([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255395488 1318385673 /nfs/dbraw/zinc/38/56/73/1318385673.db2.gz BCVYWXRIBZOPMQ-OAQYLSRUSA-N 2 3 344.547 2.398 20 0 EEADHP CN(CCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375767498 167189136 /nfs/dbraw/zinc/18/91/36/167189136.db2.gz FQJRABJYGSTWSG-BPUPTYSTSA-N 2 3 348.579 2.491 20 0 EEADHP CN(CCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)N2C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375767498 167189139 /nfs/dbraw/zinc/18/91/39/167189139.db2.gz FQJRABJYGSTWSG-BPUPTYSTSA-N 2 3 348.579 2.491 20 0 EEADHP CN(CCC[NH+](C)C1C[C@H]2CC[C@@H](C1)N2C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375767498 167189143 /nfs/dbraw/zinc/18/91/43/167189143.db2.gz FQJRABJYGSTWSG-BPUPTYSTSA-N 2 3 348.579 2.491 20 0 EEADHP CN(CCC[NH+](C)C1C[C@H]2CC[C@@H](C1)N2C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375767498 167189147 /nfs/dbraw/zinc/18/91/47/167189147.db2.gz FQJRABJYGSTWSG-BPUPTYSTSA-N 2 3 348.579 2.491 20 0 EEADHP C[C@@H]1C[C@H](C)C[N@@H+](CCCCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422874284 278002557 /nfs/dbraw/zinc/00/25/57/278002557.db2.gz CQPGLDONIFLLPW-LJDSDSDDSA-N 2 3 337.552 2.491 20 0 EEADHP C[C@@H]1C[C@H](C)C[N@H+](CCCCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422874284 278002559 /nfs/dbraw/zinc/00/25/59/278002559.db2.gz CQPGLDONIFLLPW-LJDSDSDDSA-N 2 3 337.552 2.491 20 0 EEADHP COc1ccccc1CC1([NH2+][C@@H]2CCC3(C[NH2+]C3)C2)CCNCC1 ZINC001246426520 1310309349 /nfs/dbraw/zinc/30/93/49/1310309349.db2.gz QMIHJSNORYBWAA-QGZVFWFLSA-N 2 3 329.488 2.092 20 0 EEADHP CCN1CCN(c2ccccc2C[NH2+]CCC[C@H]2CCC[NH2+]2)CC1 ZINC000414980869 467459936 /nfs/dbraw/zinc/45/99/36/467459936.db2.gz XARIBWMUACOVDJ-IBGZPJMESA-N 2 3 330.520 2.450 20 0 EEADHP CN(c1ccccc1CN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)C1CC[NH+](C)CC1 ZINC000435392001 467465928 /nfs/dbraw/zinc/46/59/28/467465928.db2.gz VGXSLSFRSSDBBE-DBVUQKKJSA-N 2 3 342.531 2.386 20 0 EEADHP c1ccc(C[NH+]2CCC(CN[C@@H]3[C@H]4C[C@H]5C[NH2+][C@H]3[C@H]5C4)CC2)cc1 ZINC000397675386 1255289946 /nfs/dbraw/zinc/28/99/46/1255289946.db2.gz RLUOWILUMLNDFL-FCMAGTKHSA-N 2 3 325.500 2.485 20 0 EEADHP Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2C(=O)[C@@H](N)CCCC[NH+](C)C ZINC001220384285 1298384908 /nfs/dbraw/zinc/38/49/08/1298384908.db2.gz NZCBVYJERYJNBU-IRXDYDNUSA-N 2 3 332.492 2.181 20 0 EEADHP COc1ccc2c(c1)C1(CCNCC1)[N@@H+](CC13CC([NH3+])(C1)C3)CC2 ZINC001235020837 1305088948 /nfs/dbraw/zinc/08/89/48/1305088948.db2.gz FLEJJZPURFPTDO-UHFFFAOYSA-N 2 3 327.472 2.013 20 0 EEADHP COc1ccc2c(c1)C1(CCNCC1)[N@H+](CC13CC([NH3+])(C1)C3)CC2 ZINC001235020837 1305088957 /nfs/dbraw/zinc/08/89/57/1305088957.db2.gz FLEJJZPURFPTDO-UHFFFAOYSA-N 2 3 327.472 2.013 20 0 EEADHP CC1(C)[NH2+][C@@H](CCN(Cc2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)CO1 ZINC001236672868 1305631295 /nfs/dbraw/zinc/63/12/95/1305631295.db2.gz XHBUOWPPLLQMPG-SZMVWBNQSA-N 2 3 332.492 2.268 20 0 EEADHP Clc1ccccc1CC1([NH2+][C@H]2CCOC3(C[NH2+]C3)C2)CCNCC1 ZINC001246390398 1310297876 /nfs/dbraw/zinc/29/78/76/1310297876.db2.gz LIEFUEZZAMGDQS-INIZCTEOSA-N 2 3 349.906 2.115 20 0 EEADHP COc1cccc(C2(NC3CCC4(C[NH2+]C4)CC3)CC[NH2+]CC2)c1 ZINC001246417062 1310306063 /nfs/dbraw/zinc/30/60/63/1310306063.db2.gz TUAUEIKAZUJWFP-UHFFFAOYSA-N 2 3 329.488 2.396 20 0 EEADHP c1cncc(CC2([NH2+][C@H]3CCC4(C3)CC[NH2+]CC4)CCNCC2)c1 ZINC001246423366 1310306994 /nfs/dbraw/zinc/30/69/94/1310306994.db2.gz ZNXJIYACVFZMSH-SFHVURJKSA-N 2 3 328.504 2.258 20 0 EEADHP CN1CCN(Cc2cccc(C[NH2+][C@@H]3CCCC[C@@H]3C[NH3+])c2)CC1 ZINC001327837723 1334353306 /nfs/dbraw/zinc/35/33/06/1334353306.db2.gz BCFYCQMJLIFTIE-WOJBJXKFSA-N 2 3 330.520 2.041 20 0 EEADHP CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@H](CC[NH3+])C2)CC1 ZINC000442917080 315219724 /nfs/dbraw/zinc/21/97/24/315219724.db2.gz BZYZOBQXKJQPPY-GOSISDBHSA-N 2 3 330.520 2.389 20 0 EEADHP CCN1CCN(c2ccccc2C[N@H+]2CCC[C@H](CC[NH3+])C2)CC1 ZINC000442917080 315219726 /nfs/dbraw/zinc/21/97/26/315219726.db2.gz BZYZOBQXKJQPPY-GOSISDBHSA-N 2 3 330.520 2.389 20 0 EEADHP CCCN1CCN(c2ccccc2C[NH2+]CCC2(C[NH3+])CC2)CC1 ZINC000650713089 470948536 /nfs/dbraw/zinc/94/85/36/470948536.db2.gz FEYSSCYWKRTYSH-UHFFFAOYSA-N 2 3 330.520 2.437 20 0 EEADHP CN(C)CCOc1ccc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647786706 470984015 /nfs/dbraw/zinc/98/40/15/470984015.db2.gz WXAJZRZTQPUODI-CEXWTWQISA-N 2 3 331.504 2.147 20 0 EEADHP c1ccc(COC[C@H]2CCC3(CCNCC3)[N@@H+]2CCC2C[NH2+]C2)cc1 ZINC001222574043 1299698711 /nfs/dbraw/zinc/69/87/11/1299698711.db2.gz FWSSNOAHNAVDFF-HXUWFJFHSA-N 2 3 343.515 2.399 20 0 EEADHP c1ccc(COC[C@H]2CCC3(CCNCC3)[N@H+]2CCC2C[NH2+]C2)cc1 ZINC001222574043 1299698730 /nfs/dbraw/zinc/69/87/30/1299698730.db2.gz FWSSNOAHNAVDFF-HXUWFJFHSA-N 2 3 343.515 2.399 20 0 EEADHP C[C@H]1C[N@H+](CC2(O)CCN(Cc3ccccc3)CC2)CCC[C@@H]1C[NH3+] ZINC001246028273 1310215152 /nfs/dbraw/zinc/21/51/52/1310215152.db2.gz JKOBTSNNPAZYRF-AZUAARDMSA-N 2 3 345.531 2.320 20 0 EEADHP C[C@H]1C[N@@H+](CC2(O)CCN(Cc3ccccc3)CC2)CCC[C@@H]1C[NH3+] ZINC001246028273 1310215154 /nfs/dbraw/zinc/21/51/54/1310215154.db2.gz JKOBTSNNPAZYRF-AZUAARDMSA-N 2 3 345.531 2.320 20 0 EEADHP CC(C)(C)NC[C@@H](O)C[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC001253404090 1317842565 /nfs/dbraw/zinc/84/25/65/1317842565.db2.gz PQMROABIAYQYPA-IBGZPJMESA-N 2 3 333.520 2.237 20 0 EEADHP CC(C)(C)[NH2+]C[C@@H](O)CNCC1CC[NH+](C2CCCCC2)CC1 ZINC001253406318 1317844237 /nfs/dbraw/zinc/84/42/37/1317844237.db2.gz GKLQJJZKKPJGAL-SFHVURJKSA-N 2 3 325.541 2.370 20 0 EEADHP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNCc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC001576591677 1403586987 /nfs/dbraw/zinc/58/69/87/1403586987.db2.gz IPVJBPNXISMINH-KSZLIROESA-N 2 3 348.539 2.050 20 0 EEADHP C[C@@H]1C[C@H](C)C[N@H+](CCCCNCc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC001576591677 1403587001 /nfs/dbraw/zinc/58/70/01/1403587001.db2.gz IPVJBPNXISMINH-KSZLIROESA-N 2 3 348.539 2.050 20 0 EEADHP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423439974 304858758 /nfs/dbraw/zinc/85/87/58/304858758.db2.gz SQJDRUAONIRFLX-XFKSJGNHSA-N 2 3 327.472 2.220 20 0 EEADHP CC(C)N1CCN(CCC[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC000662295964 472060488 /nfs/dbraw/zinc/06/04/88/472060488.db2.gz WZGGCIBUUPTAQA-HXUWFJFHSA-N 2 3 336.568 2.114 20 0 EEADHP C[C@]1([NH3+])CCC[N@H+](CC2(O)CCN(Cc3ccccc3)CC2)CC1 ZINC001246020386 1310211651 /nfs/dbraw/zinc/21/16/51/1310211651.db2.gz KZJSNPQQBPFFPF-IBGZPJMESA-N 2 3 331.504 2.217 20 0 EEADHP C[C@]1([NH3+])CCC[N@@H+](CC2(O)CCN(Cc3ccccc3)CC2)CC1 ZINC001246020386 1310211653 /nfs/dbraw/zinc/21/16/53/1310211653.db2.gz KZJSNPQQBPFFPF-IBGZPJMESA-N 2 3 331.504 2.217 20 0 EEADHP CCOC(=O)C1([C@@H](C)[NH2+]CCCN2CCCC[C@H]2C)CC[NH2+]CC1 ZINC000422769313 240216857 /nfs/dbraw/zinc/21/68/57/240216857.db2.gz OPJAKYYYCXYQKJ-IAGOWNOFSA-N 2 3 339.524 2.162 20 0 EEADHP CCOC(=O)C1([C@@H](C)NCCC[N@@H+]2CCCC[C@H]2C)CC[NH2+]CC1 ZINC000422769313 240216862 /nfs/dbraw/zinc/21/68/62/240216862.db2.gz OPJAKYYYCXYQKJ-IAGOWNOFSA-N 2 3 339.524 2.162 20 0 EEADHP CCOC(=O)C1([C@@H](C)NCCC[N@H+]2CCCC[C@H]2C)CC[NH2+]CC1 ZINC000422769313 240216866 /nfs/dbraw/zinc/21/68/66/240216866.db2.gz OPJAKYYYCXYQKJ-IAGOWNOFSA-N 2 3 339.524 2.162 20 0 EEADHP CCO[C@H](CC[NH+](C)C)CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422869081 286443451 /nfs/dbraw/zinc/44/34/51/286443451.db2.gz WCDGVERVFJPVIM-IMFGXOCKSA-N 2 3 347.503 2.189 20 0 EEADHP CN(c1ccccc1C[NH2+][C@H]1CC[C@H](C[NH3+])C1)C1CCN(C)CC1 ZINC000415037071 467472660 /nfs/dbraw/zinc/47/26/60/467472660.db2.gz LYBXGYBIUDRRED-WMZOPIPTSA-N 2 3 330.520 2.434 20 0 EEADHP C[N@@H+]1CC[C@H](NCc2ccc(CN3CC[NH2+]CC3)cc2)[C@@H]2CCC[C@@H]21 ZINC000925815798 1206156751 /nfs/dbraw/zinc/15/67/51/1206156751.db2.gz FUPGPFNFMYVNRK-ACRUOGEOSA-N 2 3 342.531 2.054 20 0 EEADHP C[N@H+]1CC[C@H](NCc2ccc(CN3CC[NH2+]CC3)cc2)[C@@H]2CCC[C@@H]21 ZINC000925815798 1206156752 /nfs/dbraw/zinc/15/67/52/1206156752.db2.gz FUPGPFNFMYVNRK-ACRUOGEOSA-N 2 3 342.531 2.054 20 0 EEADHP c1ccc(CC2([NH2+][C@@H]3CCC[C@]4(CC[NH2+]C4)C3)CCNCC2)nc1 ZINC001246368580 1310291645 /nfs/dbraw/zinc/29/16/45/1310291645.db2.gz FXRHJADIVHKDFG-MOPGFXCFSA-N 2 3 328.504 2.258 20 0 EEADHP CC1(C[N@@H+]2CCCn3cnc(CNC4CCC4)c3C2)CC[NH2+]CC1 ZINC001235565122 1305282940 /nfs/dbraw/zinc/28/29/40/1305282940.db2.gz JVVJUUXKJLUXCR-UHFFFAOYSA-N 2 3 331.508 2.121 20 0 EEADHP CC1(C[N@H+]2CCCn3cnc(CNC4CCC4)c3C2)CC[NH2+]CC1 ZINC001235565122 1305282945 /nfs/dbraw/zinc/28/29/45/1305282945.db2.gz JVVJUUXKJLUXCR-UHFFFAOYSA-N 2 3 331.508 2.121 20 0 EEADHP Cc1cc(F)ccc1[C@H]1C[C@H]([NH2+]CCCC[NH+]2CCNCC2)CCN1 ZINC001246088544 1310233480 /nfs/dbraw/zinc/23/34/80/1310233480.db2.gz KSZINKNLJADEIN-UYAOXDASSA-N 2 3 348.510 2.202 20 0 EEADHP COc1cccc(C2(C[NH2+]C3C[C@@H](C)N[C@H](C)C3)CC[NH2+]CC2)c1 ZINC001246385427 1310295587 /nfs/dbraw/zinc/29/55/87/1310295587.db2.gz FQOFGQVZXIZZOD-HZPDHXFCSA-N 2 3 331.504 2.435 20 0 EEADHP COc1cccc(C2(C[NH2+][C@@H]3CCNC(C)(C)C3)CC[NH2+]CC2)c1 ZINC001246387699 1310296158 /nfs/dbraw/zinc/29/61/58/1310296158.db2.gz JGMMHYAHPIGVPO-QGZVFWFLSA-N 2 3 331.504 2.437 20 0 EEADHP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000817928301 785046639 /nfs/dbraw/zinc/04/66/39/785046639.db2.gz TWCXRFPZXPRLEC-IJXRJRJASA-N 2 3 331.504 2.241 20 0 EEADHP C[C@H](CCN1CCC(C[NH+](C)C)CC1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000431601309 539948420 /nfs/dbraw/zinc/94/84/20/539948420.db2.gz DLXYKWWTFZJVMG-GOSISDBHSA-N 3 3 338.584 2.312 20 0 EEADHP C[C@H](CC[NH+]1CCC(C[NH+](C)C)CC1)N1CCC(C[NH+](C)C)CC1 ZINC000431601309 539948424 /nfs/dbraw/zinc/94/84/24/539948424.db2.gz DLXYKWWTFZJVMG-GOSISDBHSA-N 3 3 338.584 2.312 20 0 EEADHP [NH3+]C[C@@H]1CCCC[C@H]1NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000423029595 240336036 /nfs/dbraw/zinc/33/60/36/240336036.db2.gz IOHWIABDGPBSQR-FFZOFVMBSA-N 2 3 331.504 2.250 20 0 EEADHP [NH3+]C[C@@H]1CCCC[C@H]1NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000423029595 240336042 /nfs/dbraw/zinc/33/60/42/240336042.db2.gz IOHWIABDGPBSQR-FFZOFVMBSA-N 2 3 331.504 2.250 20 0 EEADHP c1ccc([C@H]2C[C@H](Nc3cc(N4CCNCC4)cc[nH+]3)CC[NH2+]2)cc1 ZINC000635009274 470400204 /nfs/dbraw/zinc/40/02/04/470400204.db2.gz GRRIAAVCTKYXQJ-IEBWSBKVSA-N 2 3 337.471 2.396 20 0 EEADHP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3ccc4c(c3)CNCC4)C2)C1 ZINC000652350111 471276430 /nfs/dbraw/zinc/27/64/30/471276430.db2.gz GNPOLCYIUJMQJO-DFQSSKMNSA-N 2 3 329.488 2.051 20 0 EEADHP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3ccc4c(c3)CNCC4)C2)C1 ZINC000652350111 471276431 /nfs/dbraw/zinc/27/64/31/471276431.db2.gz GNPOLCYIUJMQJO-DFQSSKMNSA-N 2 3 329.488 2.051 20 0 EEADHP c1cc(N2CC[NH2+]CC2)oc1CN1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000904416988 694388192 /nfs/dbraw/zinc/38/81/92/694388192.db2.gz WCXKOHOTFTUZOE-KRWDZBQOSA-N 2 3 346.519 2.291 20 0 EEADHP CN1CCN(Cc2ccccc2C[NH2+]C2CCC([NH+](C)C)CC2)CC1 ZINC001168297745 1188261264 /nfs/dbraw/zinc/26/12/64/1188261264.db2.gz INJVZHHWZAHADH-UHFFFAOYSA-N 2 3 344.547 2.396 20 0 EEADHP COc1ccc([C@@H]2C[C@H](NCCC[NH2+]CCCC[NH3+])CCO2)cc1 ZINC001246455441 1310315176 /nfs/dbraw/zinc/31/51/76/1310315176.db2.gz FKGPWMPDAREHKR-MJGOQNOKSA-N 2 3 335.492 2.224 20 0 EEADHP CN(C)CC[N@@H+]1CCC2(C1)CCN(Cc1cc3c[nH+]ccc3[nH]1)CC2 ZINC001276404023 1315002843 /nfs/dbraw/zinc/00/28/43/1315002843.db2.gz MTZWTGPLSCEHBV-UHFFFAOYSA-N 2 3 341.503 2.412 20 0 EEADHP CN(C)CC[N@H+]1CCC2(C1)CCN(Cc1cc3c[nH+]ccc3[nH]1)CC2 ZINC001276404023 1315002848 /nfs/dbraw/zinc/00/28/48/1315002848.db2.gz MTZWTGPLSCEHBV-UHFFFAOYSA-N 2 3 341.503 2.412 20 0 EEADHP Cc1ccc(CN(C(=O)[C@@H](N)CCCC[NH3+])[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001161399542 1320488540 /nfs/dbraw/zinc/48/85/40/1320488540.db2.gz AYICIUPIWXGZNK-FHWLQOOXSA-N 2 3 346.519 2.050 20 0 EEADHP CN1CC[C@@]2(C1)CCC[N@H+](CCCN1CCC[C@]3(CC[NH+](C)C3)C1)C2 ZINC000660665187 471437252 /nfs/dbraw/zinc/43/72/52/471437252.db2.gz VMKVBCAWZVAFAL-NHCUHLMSSA-N 2 3 348.579 2.212 20 0 EEADHP CN1CC[C@@]2(C1)CCC[N@@H+](CCCN1CCC[C@]3(CC[NH+](C)C3)C1)C2 ZINC000660665187 471437255 /nfs/dbraw/zinc/43/72/55/471437255.db2.gz VMKVBCAWZVAFAL-NHCUHLMSSA-N 2 3 348.579 2.212 20 0 EEADHP CN1CC[C@@]2(C1)CCC[NH+](CCCN1CCC[C@]3(CC[N@H+](C)C3)C1)C2 ZINC000660665187 471437261 /nfs/dbraw/zinc/43/72/61/471437261.db2.gz VMKVBCAWZVAFAL-NHCUHLMSSA-N 2 3 348.579 2.212 20 0 EEADHP CN1CC[C@@]2(C1)CCC[NH+](CCCN1CCC[C@]3(CC[N@@H+](C)C3)C1)C2 ZINC000660665187 471437264 /nfs/dbraw/zinc/43/72/64/471437264.db2.gz VMKVBCAWZVAFAL-NHCUHLMSSA-N 2 3 348.579 2.212 20 0 EEADHP C[NH+]1CC[C@@]2(C1)CCCN(CCCN1CCC[C@]3(CC[N@@H+](C)C3)C1)C2 ZINC000660665187 471437267 /nfs/dbraw/zinc/43/72/67/471437267.db2.gz VMKVBCAWZVAFAL-NHCUHLMSSA-N 2 3 348.579 2.212 20 0 EEADHP C[NH+]1CC[C@@]2(C1)CCCN(CCCN1CCC[C@]3(CC[N@H+](C)C3)C1)C2 ZINC000660665187 471437273 /nfs/dbraw/zinc/43/72/73/471437273.db2.gz VMKVBCAWZVAFAL-NHCUHLMSSA-N 2 3 348.579 2.212 20 0 EEADHP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3cccc4c3CCNC4)C2)C1 ZINC000662283574 472056362 /nfs/dbraw/zinc/05/63/62/472056362.db2.gz AUHARQAXDNHSCJ-NLWGTHIKSA-N 2 3 329.488 2.051 20 0 EEADHP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3cccc4c3CCNC4)C2)C1 ZINC000662283574 472056365 /nfs/dbraw/zinc/05/63/65/472056365.db2.gz AUHARQAXDNHSCJ-NLWGTHIKSA-N 2 3 329.488 2.051 20 0 EEADHP CCN1CCC[C@@H]1CNC(=[NH2+])NCC1CC[NH+](CCC(C)C)CC1 ZINC000079918156 690827501 /nfs/dbraw/zinc/82/75/01/690827501.db2.gz KHDHRQKACUXYHZ-GOSISDBHSA-N 2 3 337.556 2.133 20 0 EEADHP C[C@H]1C[N@H+](CC2(O)CCN(Cc3ccccc3)CC2)CCC[C@H]1C[NH3+] ZINC001246028276 1310214339 /nfs/dbraw/zinc/21/43/39/1310214339.db2.gz JKOBTSNNPAZYRF-ICSRJNTNSA-N 2 3 345.531 2.320 20 0 EEADHP C[C@H]1C[N@@H+](CC2(O)CCN(Cc3ccccc3)CC2)CCC[C@H]1C[NH3+] ZINC001246028276 1310214345 /nfs/dbraw/zinc/21/43/45/1310214345.db2.gz JKOBTSNNPAZYRF-ICSRJNTNSA-N 2 3 345.531 2.320 20 0 EEADHP CC[C@@H]1C[C@@H](NCC2(c3ccccc3OC)CC[NH2+]CC2)CC[NH2+]1 ZINC001246415314 1310304886 /nfs/dbraw/zinc/30/48/86/1310304886.db2.gz LCAIAAAVYLODDK-SJORKVTESA-N 2 3 331.504 2.437 20 0 EEADHP CC[NH+]1CCC(CN2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)CC1 ZINC001208600549 1324582828 /nfs/dbraw/zinc/58/28/28/1324582828.db2.gz UMNXRPYUGZVXLM-RTWAWAEBSA-N 2 3 349.563 2.399 20 0 EEADHP CC[NH+]1CCC(CN2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COC)CC1 ZINC001208600549 1324582831 /nfs/dbraw/zinc/58/28/31/1324582831.db2.gz UMNXRPYUGZVXLM-RTWAWAEBSA-N 2 3 349.563 2.399 20 0 EEADHP C[C@@H]1CC[NH2+]CC[C@H]1NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000422747671 240205351 /nfs/dbraw/zinc/20/53/51/240205351.db2.gz ZFPCTNKKLSOQDZ-OXQOHEQNSA-N 2 3 331.504 2.121 20 0 EEADHP NC[C@H]1CCC[C@H]1[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000423015626 295273556 /nfs/dbraw/zinc/27/35/56/295273556.db2.gz LBGYWAMBILKMEF-UYAOXDASSA-N 2 3 331.504 2.421 20 0 EEADHP C[NH+]1CCC(CC[N@H+]2C[C@@H]3CCN(Cc4cn[nH]c4)CC[C@@H]3C2)CC1 ZINC001276725637 1296959839 /nfs/dbraw/zinc/95/98/39/1296959839.db2.gz CDLWWKKUFQPTII-BGYRXZFFSA-N 2 3 345.535 2.285 20 0 EEADHP C[NH+]1CCC(CC[N@@H+]2C[C@@H]3CCN(Cc4cn[nH]c4)CC[C@@H]3C2)CC1 ZINC001276725637 1296959840 /nfs/dbraw/zinc/95/98/40/1296959840.db2.gz CDLWWKKUFQPTII-BGYRXZFFSA-N 2 3 345.535 2.285 20 0 EEADHP CC[C@H]1C[C@H]([NH2+]CC2(c3ccc(OC)cc3)CC[NH2+]CC2)CCN1 ZINC001246414202 1310303709 /nfs/dbraw/zinc/30/37/09/1310303709.db2.gz HUVRSONENPXUMI-ZWKOTPCHSA-N 2 3 331.504 2.437 20 0 EEADHP CCOC(=O)C1([C@@H](C)[NH2+]CC[C@H](C)N2CCCCC2)CC[NH2+]CC1 ZINC000423036320 240338623 /nfs/dbraw/zinc/33/86/23/240338623.db2.gz TYAZFFRVAAJUIM-DLBZAZTESA-N 2 3 339.524 2.162 20 0 EEADHP CCOC(=O)C1([C@@H](C)NCC[C@H](C)[NH+]2CCCCC2)CC[NH2+]CC1 ZINC000423036320 240338628 /nfs/dbraw/zinc/33/86/28/240338628.db2.gz TYAZFFRVAAJUIM-DLBZAZTESA-N 2 3 339.524 2.162 20 0 EEADHP C[C@@H]1C[N@H+](C)CC[C@H]1NCc1ccccc1C[NH+]1CCC[C@H]1CO ZINC000359225523 164088344 /nfs/dbraw/zinc/08/83/44/164088344.db2.gz LXKYYHGQBZHJDV-LSTHTHJFSA-N 2 3 331.504 2.073 20 0 EEADHP C[C@@H]1C[N@@H+](C)CC[C@H]1NCc1ccccc1C[NH+]1CCC[C@H]1CO ZINC000359225523 164088345 /nfs/dbraw/zinc/08/83/45/164088345.db2.gz LXKYYHGQBZHJDV-LSTHTHJFSA-N 2 3 331.504 2.073 20 0 EEADHP C[C@@H]1C[NH+](C)CC[C@H]1NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000359225523 164088346 /nfs/dbraw/zinc/08/83/46/164088346.db2.gz LXKYYHGQBZHJDV-LSTHTHJFSA-N 2 3 331.504 2.073 20 0 EEADHP C[C@@H]1C[NH+](C)CC[C@H]1NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000359225523 164088347 /nfs/dbraw/zinc/08/83/47/164088347.db2.gz LXKYYHGQBZHJDV-LSTHTHJFSA-N 2 3 331.504 2.073 20 0 EEADHP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000423579865 288105587 /nfs/dbraw/zinc/10/55/87/288105587.db2.gz WUBIXXYHIRNRJU-QWFCFKBJSA-N 2 3 344.547 2.298 20 0 EEADHP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000423579865 288105590 /nfs/dbraw/zinc/10/55/90/288105590.db2.gz WUBIXXYHIRNRJU-QWFCFKBJSA-N 2 3 344.547 2.298 20 0 EEADHP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3ccc4c(c3)CNCC4)C2)C1 ZINC000652350113 471276506 /nfs/dbraw/zinc/27/65/06/471276506.db2.gz GNPOLCYIUJMQJO-RLLQIKCJSA-N 2 3 329.488 2.051 20 0 EEADHP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ccc4c(c3)CNCC4)C2)C1 ZINC000652350113 471276509 /nfs/dbraw/zinc/27/65/09/471276509.db2.gz GNPOLCYIUJMQJO-RLLQIKCJSA-N 2 3 329.488 2.051 20 0 EEADHP CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000926694656 1206237950 /nfs/dbraw/zinc/23/79/50/1206237950.db2.gz UXBLJPPAONGYAJ-YOFSQIOKSA-N 2 3 328.504 2.223 20 0 EEADHP C[C@H]1C[C@H](N2CCN(CCCC[NH3+])CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256538908 1318770329 /nfs/dbraw/zinc/77/03/29/1318770329.db2.gz VXPWGWBRGSXLSG-PZJWPPBQSA-N 2 3 344.547 2.396 20 0 EEADHP C[C@H]1C[C@H](N2CCN(CCCC[NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC001256538908 1318770339 /nfs/dbraw/zinc/77/03/39/1318770339.db2.gz VXPWGWBRGSXLSG-PZJWPPBQSA-N 2 3 344.547 2.396 20 0 EEADHP CN1CCC[C@@H](C[NH+]2CCC3(CCC[N@H+](Cc4cn[nH]c4)C3)CC2)C1 ZINC001276496649 1323620489 /nfs/dbraw/zinc/62/04/89/1323620489.db2.gz IPNHJNWXUXVSFL-GOSISDBHSA-N 2 3 345.535 2.430 20 0 EEADHP CN1CCC[C@@H](C[NH+]2CCC3(CCC[N@@H+](Cc4cn[nH]c4)C3)CC2)C1 ZINC001276496649 1323620494 /nfs/dbraw/zinc/62/04/94/1323620494.db2.gz IPNHJNWXUXVSFL-GOSISDBHSA-N 2 3 345.535 2.430 20 0 EEADHP [NH3+]CCC[C@H](NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccccc1 ZINC000925621047 1206136500 /nfs/dbraw/zinc/13/65/00/1206136500.db2.gz YCLRQFLCERZHQY-UFYCRDLUSA-N 2 3 331.504 2.434 20 0 EEADHP CC(C)(C)[C@H]1C[C@@H](NCC2(c3cccnc3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246423151 1310307848 /nfs/dbraw/zinc/30/78/48/1310307848.db2.gz MRKIXOBXUZMYJX-ZWKOTPCHSA-N 2 3 330.520 2.459 20 0 EEADHP CN1CCC([NH2+][C@H]2CC[C@H](N3CC[NH+](CC4CC4)CC3)CC2)CC1 ZINC001256199541 1318673390 /nfs/dbraw/zinc/67/33/90/1318673390.db2.gz DOSASXBKMBAWDN-KESTWPANSA-N 2 3 334.552 2.009 20 0 EEADHP COc1ccc(CN(CC2CC[NH2+]CC2)C2CC[NH2+]CC2)cc1F ZINC001236516121 1305590152 /nfs/dbraw/zinc/59/01/52/1305590152.db2.gz LQFLHZBSARGYMP-UHFFFAOYSA-N 2 3 335.467 2.388 20 0 EEADHP COc1ccc(C[N@H+](CC2CC[NH2+]CC2)C2CCNCC2)cc1F ZINC001236516121 1305590156 /nfs/dbraw/zinc/59/01/56/1305590156.db2.gz LQFLHZBSARGYMP-UHFFFAOYSA-N 2 3 335.467 2.388 20 0 EEADHP COc1ccc(C[N@@H+](CC2CC[NH2+]CC2)C2CCNCC2)cc1F ZINC001236516121 1305590161 /nfs/dbraw/zinc/59/01/61/1305590161.db2.gz LQFLHZBSARGYMP-UHFFFAOYSA-N 2 3 335.467 2.388 20 0 EEADHP CC[NH+](CC)C[C@@H](O)CN1CCCC2(CCCC[NH2+]C2)CCC1 ZINC001246031392 1310214731 /nfs/dbraw/zinc/21/47/31/1310214731.db2.gz QDEUUXXJKVDRQM-GOSISDBHSA-N 2 3 325.541 2.325 20 0 EEADHP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000817928300 785046484 /nfs/dbraw/zinc/04/64/84/785046484.db2.gz TWCXRFPZXPRLEC-FRYIKTPZSA-N 2 3 331.504 2.241 20 0 EEADHP C[C@@H]1CC[NH2+]CC[C@H]1NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000423034474 240338937 /nfs/dbraw/zinc/33/89/37/240338937.db2.gz QGYUPWDIZYQSRM-LSTHTHJFSA-N 2 3 331.504 2.121 20 0 EEADHP C[C@@H]1CC[NH2+]CC[C@H]1NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000423034474 240338942 /nfs/dbraw/zinc/33/89/42/240338942.db2.gz QGYUPWDIZYQSRM-LSTHTHJFSA-N 2 3 331.504 2.121 20 0 EEADHP C[C@@H]1C[N@H+](C)CC[C@@H]1NCc1ccccc1C[NH+]1CCC[C@@H]1CO ZINC000359225521 164087893 /nfs/dbraw/zinc/08/78/93/164087893.db2.gz LXKYYHGQBZHJDV-AHRSYUTCSA-N 2 3 331.504 2.073 20 0 EEADHP C[C@@H]1C[N@@H+](C)CC[C@@H]1NCc1ccccc1C[NH+]1CCC[C@@H]1CO ZINC000359225521 164087895 /nfs/dbraw/zinc/08/78/95/164087895.db2.gz LXKYYHGQBZHJDV-AHRSYUTCSA-N 2 3 331.504 2.073 20 0 EEADHP C[C@@H]1C[NH+](C)CC[C@@H]1NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000359225521 164087896 /nfs/dbraw/zinc/08/78/96/164087896.db2.gz LXKYYHGQBZHJDV-AHRSYUTCSA-N 2 3 331.504 2.073 20 0 EEADHP C[C@@H]1C[NH+](C)CC[C@@H]1NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000359225521 164087899 /nfs/dbraw/zinc/08/78/99/164087899.db2.gz LXKYYHGQBZHJDV-AHRSYUTCSA-N 2 3 331.504 2.073 20 0 EEADHP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000423579866 466777625 /nfs/dbraw/zinc/77/76/25/466777625.db2.gz WUBIXXYHIRNRJU-WSTZPKSXSA-N 2 3 344.547 2.298 20 0 EEADHP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000423579866 466777631 /nfs/dbraw/zinc/77/76/31/466777631.db2.gz WUBIXXYHIRNRJU-WSTZPKSXSA-N 2 3 344.547 2.298 20 0 EEADHP C[NH+]1CCC(N2CCC3(CC[N@H+](Cc4cccc(=O)[nH]4)C3)CC2)CC1 ZINC001277624655 1304026845 /nfs/dbraw/zinc/02/68/45/1304026845.db2.gz GCLWZLWRVXWIBR-UHFFFAOYSA-N 2 3 344.503 2.169 20 0 EEADHP C[NH+]1CCC(N2CCC3(CC[N@@H+](Cc4cccc(=O)[nH]4)C3)CC2)CC1 ZINC001277624655 1304026849 /nfs/dbraw/zinc/02/68/49/1304026849.db2.gz GCLWZLWRVXWIBR-UHFFFAOYSA-N 2 3 344.503 2.169 20 0 EEADHP C[C@]1(C[NH3+])CCC[N@H+](CC2(O)CCN(Cc3ccccc3)CC2)CC1 ZINC001246022866 1310212088 /nfs/dbraw/zinc/21/20/88/1310212088.db2.gz PNOHYFCTKZVWGA-FQEVSTJZSA-N 2 3 345.531 2.464 20 0 EEADHP C[C@]1(C[NH3+])CCC[N@@H+](CC2(O)CCN(Cc3ccccc3)CC2)CC1 ZINC001246022866 1310212093 /nfs/dbraw/zinc/21/20/93/1310212093.db2.gz PNOHYFCTKZVWGA-FQEVSTJZSA-N 2 3 345.531 2.464 20 0 EEADHP Clc1ccc(CC2([NH2+][C@@H]3CCOC4(C[NH2+]C4)C3)CCNCC2)cc1 ZINC001246385731 1310295220 /nfs/dbraw/zinc/29/52/20/1310295220.db2.gz DHPNUTIIXHQJNX-QGZVFWFLSA-N 2 3 349.906 2.115 20 0 EEADHP c1cncc(CC2([NH2+][C@H]3CCC[C@@]4(CC[NH2+]C4)C3)CCNCC2)c1 ZINC001246418034 1310305542 /nfs/dbraw/zinc/30/55/42/1310305542.db2.gz APMNNRYTZRZYJB-RBUKOAKNSA-N 2 3 328.504 2.258 20 0 EEADHP COc1ccccc1CC1(C[NH2+][C@@H]2CCN[C@H](C)C2)CC[NH2+]CC1 ZINC001246419276 1310305869 /nfs/dbraw/zinc/30/58/69/1310305869.db2.gz GXQCALCOMGFKTD-SJLPKXTDSA-N 2 3 331.504 2.338 20 0 EEADHP FC(F)(F)[C@]12CNC[C@H]1C[N@@H+](C1CCC3(CC[NH2+]CC3)CC1)C2 ZINC001246657584 1310373274 /nfs/dbraw/zinc/37/32/74/1310373274.db2.gz RNRORENNUVVHGF-BBRMVZONSA-N 2 3 331.426 2.383 20 0 EEADHP FC(F)(F)[C@]12CNC[C@H]1C[N@H+](C1CCC3(CC[NH2+]CC3)CC1)C2 ZINC001246657584 1310373284 /nfs/dbraw/zinc/37/32/84/1310373284.db2.gz RNRORENNUVVHGF-BBRMVZONSA-N 2 3 331.426 2.383 20 0 EEADHP CC[NH+](CC)C[C@H](O)CNCC1CC[NH+](C2CCCCC2)CC1 ZINC001253209011 1317798655 /nfs/dbraw/zinc/79/86/55/1317798655.db2.gz VVHLNNJUJFTAKH-LJQANCHMSA-N 2 3 325.541 2.323 20 0 EEADHP CC[NH+](CC)CCC[C@@H](C)N1CCN(CC[NH+](CC)CC)CC1 ZINC001258908466 1319371765 /nfs/dbraw/zinc/37/17/65/1319371765.db2.gz VVTWAEIPEULRSC-LJQANCHMSA-N 2 3 326.573 2.456 20 0 EEADHP CC[N@H+](CCC1CCN(C[C@@]2(O)CCC[NH2+]C2)CC1)CC(C)C ZINC001573770964 1403517866 /nfs/dbraw/zinc/51/78/66/1403517866.db2.gz JQDOJRRKXVUALJ-LJQANCHMSA-N 2 3 325.541 2.181 20 0 EEADHP CC[N@@H+](CCC1CCN(C[C@@]2(O)CCC[NH2+]C2)CC1)CC(C)C ZINC001573770964 1403517871 /nfs/dbraw/zinc/51/78/71/1403517871.db2.gz JQDOJRRKXVUALJ-LJQANCHMSA-N 2 3 325.541 2.181 20 0 EEADHP CCN1CCN(c2ccccc2C[NH2+]CC2(C)CC[NH2+]CC2)CC1 ZINC000414914235 467448626 /nfs/dbraw/zinc/44/86/26/467448626.db2.gz XREIZHFQPDIHKV-UHFFFAOYSA-N 2 3 330.520 2.308 20 0 EEADHP OC1CCN(Cc2ccc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cc2)CC1 ZINC000647786778 470983942 /nfs/dbraw/zinc/98/39/42/470983942.db2.gz YNJQPGZPZNTWOC-HSALFYBXSA-N 2 3 343.515 2.121 20 0 EEADHP CC(C)(C)[C@@H]1C[C@@H](NCC2(c3cccnc3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246423146 1310307369 /nfs/dbraw/zinc/30/73/69/1310307369.db2.gz MRKIXOBXUZMYJX-ROUUACIJSA-N 2 3 330.520 2.459 20 0 EEADHP CCOC(=O)CC1(N)CC[NH+](C2CCC([NH+](CC)CC)CC2)CC1 ZINC001173108444 797234202 /nfs/dbraw/zinc/23/42/02/797234202.db2.gz KWCVHRKZWPYIEW-UHFFFAOYSA-N 2 3 339.524 2.386 20 0 EEADHP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000422833924 240250694 /nfs/dbraw/zinc/25/06/94/240250694.db2.gz NBKWOYOEXLQFAS-ZAAXVRCTSA-N 2 3 327.472 2.316 20 0 EEADHP COCC1(C[NH2+][C@@H](C)c2cccc(OCCN(C)C)c2)CC[NH2+]CC1 ZINC000423395332 466738398 /nfs/dbraw/zinc/73/83/98/466738398.db2.gz AJWCNYCIFAACDJ-KRWDZBQOSA-N 2 3 349.519 2.294 20 0 EEADHP CC(C)N1CCN(CCC[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC000647977685 471034518 /nfs/dbraw/zinc/03/45/18/471034518.db2.gz GEDIUGLUJMQXOA-PMACEKPBSA-N 2 3 336.568 2.114 20 0 EEADHP CC(C)N1CCN(CCC[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC000647977685 471034521 /nfs/dbraw/zinc/03/45/21/471034521.db2.gz GEDIUGLUJMQXOA-PMACEKPBSA-N 2 3 336.568 2.114 20 0 EEADHP CN(C)CC[NH2+][C@@]12CC[C@@](NCCC[NH+]3CCCCC3)(C1)CCC2 ZINC001276049019 1205751586 /nfs/dbraw/zinc/75/15/86/1205751586.db2.gz NACIBMGOBRZXPI-UXHICEINSA-N 2 3 336.568 2.449 20 0 EEADHP C[NH+]1CCC(CC[NH+]2CCC3(CN(CCn4ccnc4)C3)CC2)CC1 ZINC001276727312 1296968956 /nfs/dbraw/zinc/96/89/56/1296968956.db2.gz PADVBSCEUJLGLM-UHFFFAOYSA-N 2 3 345.535 2.013 20 0 EEADHP C[C@H]1C[C@H]([NH+]2CCN(CCC[NH3+])CC2)CCN1Cc1ccccc1 ZINC001256529422 1318764301 /nfs/dbraw/zinc/76/43/01/1318764301.db2.gz BVQFJKOPHZEJAZ-AZUAARDMSA-N 2 3 330.520 2.006 20 0 EEADHP C[C@@H]1CN(Cc2ccc(C[N@H+](C)C[C@@H]3CC[NH2+]C3)cc2)C[C@H](C)O1 ZINC001579489675 1344389258 /nfs/dbraw/zinc/38/92/58/1344389258.db2.gz RLPSAOUBYBFABM-FUHIMQAGSA-N 2 3 331.504 2.337 20 0 EEADHP C[C@@H]1CN(Cc2ccc(C[N@@H+](C)C[C@@H]3CC[NH2+]C3)cc2)C[C@H](C)O1 ZINC001579489675 1344389260 /nfs/dbraw/zinc/38/92/60/1344389260.db2.gz RLPSAOUBYBFABM-FUHIMQAGSA-N 2 3 331.504 2.337 20 0 EEADHP C[C@@H]1CN(CC2CC[NH+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)C[C@H](C)O1 ZINC001552973451 1125460300 /nfs/dbraw/zinc/46/03/00/1125460300.db2.gz HDUUDJFRDJRJAE-SYXAYUIZSA-N 2 3 335.536 2.338 20 0 EEADHP COCC[N@H+](C)CCOc1cccc(CN[C@@H]2CC[NH2+]CC[C@H]2C)c1 ZINC000422716155 240188411 /nfs/dbraw/zinc/18/84/11/240188411.db2.gz UDMBYRVMRSMBKA-YLJYHZDGSA-N 2 3 349.519 2.121 20 0 EEADHP COCC[N@@H+](C)CCOc1cccc(CN[C@@H]2CC[NH2+]CC[C@H]2C)c1 ZINC000422716155 240188415 /nfs/dbraw/zinc/18/84/15/240188415.db2.gz UDMBYRVMRSMBKA-YLJYHZDGSA-N 2 3 349.519 2.121 20 0 EEADHP CC[NH+](CC)CCOCCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423040694 240340169 /nfs/dbraw/zinc/34/01/69/240340169.db2.gz UTZHXAFPWWWPSE-UYAOXDASSA-N 2 3 347.503 2.190 20 0 EEADHP C[C@H]1C[C@H]([NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)CCN1C ZINC000423576377 466777002 /nfs/dbraw/zinc/77/70/02/466777002.db2.gz RBNCVDPAGZAVEZ-PKOBYXMFSA-N 2 3 330.520 2.052 20 0 EEADHP C[C@@H]([NH3+])[C@@H]1CCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000435375693 467463543 /nfs/dbraw/zinc/46/35/43/467463543.db2.gz NPGRDUSOUAPGRY-IAGOWNOFSA-N 2 3 330.520 2.386 20 0 EEADHP c1ccc(C[NH+]2CCC(CN[C@H]3[C@@H]4[NH2+]C[C@H]5C[C@H]3C[C@H]45)CC2)cc1 ZINC000397675395 1255289201 /nfs/dbraw/zinc/28/92/01/1255289201.db2.gz RLUOWILUMLNDFL-QGLKVJOYSA-N 2 3 325.500 2.485 20 0 EEADHP C(C[N@@H+]1C[C@@H]2CN(CC3CCCC3)CCO[C@@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC001235636172 1305309225 /nfs/dbraw/zinc/30/92/25/1305309225.db2.gz MBSGDCKUWFXGLU-DFQSSKMNSA-N 2 3 335.536 2.199 20 0 EEADHP C(C[N@H+]1C[C@@H]2CN(CC3CCCC3)CCO[C@@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC001235636172 1305309229 /nfs/dbraw/zinc/30/92/29/1305309229.db2.gz MBSGDCKUWFXGLU-DFQSSKMNSA-N 2 3 335.536 2.199 20 0 EEADHP c1cncc(CC2([NH2+][C@@H]3CCC[C@@]4(CC[NH2+]C4)C3)CCNCC2)c1 ZINC001246418036 1310306260 /nfs/dbraw/zinc/30/62/60/1310306260.db2.gz APMNNRYTZRZYJB-RTBURBONSA-N 2 3 328.504 2.258 20 0 EEADHP FC(F)(F)[C@]12CNC[C@H]1C[N@@H+](C1CCC3(CCC[NH2+]C3)CC1)C2 ZINC001246659923 1310374791 /nfs/dbraw/zinc/37/47/91/1310374791.db2.gz ZQQSBSYZUWTUNB-LBDPXKHJSA-N 2 3 331.426 2.383 20 0 EEADHP FC(F)(F)[C@]12CNC[C@H]1C[N@H+](C1CCC3(CCC[NH2+]C3)CC1)C2 ZINC001246659923 1310374798 /nfs/dbraw/zinc/37/47/98/1310374798.db2.gz ZQQSBSYZUWTUNB-LBDPXKHJSA-N 2 3 331.426 2.383 20 0 EEADHP c1ccc([C@]23CC[NH2+]C[C@@H]2CN([C@@H]2CSC4(C[NH2+]C4)C2)CC3)cc1 ZINC001246673543 1310377709 /nfs/dbraw/zinc/37/77/09/1310377709.db2.gz PHMGKQDUVKZBFH-WSTZPKSXSA-N 2 3 343.540 2.087 20 0 EEADHP c1ccc([C@]23CCNC[C@@H]2C[N@H+]([C@@H]2CSC4(C[NH2+]C4)C2)CC3)cc1 ZINC001246673543 1310377719 /nfs/dbraw/zinc/37/77/19/1310377719.db2.gz PHMGKQDUVKZBFH-WSTZPKSXSA-N 2 3 343.540 2.087 20 0 EEADHP c1ccc([C@]23CCNC[C@@H]2C[N@@H+]([C@@H]2CSC4(C[NH2+]C4)C2)CC3)cc1 ZINC001246673543 1310377728 /nfs/dbraw/zinc/37/77/28/1310377728.db2.gz PHMGKQDUVKZBFH-WSTZPKSXSA-N 2 3 343.540 2.087 20 0 EEADHP CN1CCC[C@H]1CC[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000692667021 1410397979 /nfs/dbraw/zinc/39/79/79/1410397979.db2.gz PAIONRQHQDHWNE-IBGZPJMESA-N 2 3 331.504 2.087 20 0 EEADHP CCOC(=O)C1([C@H](C)[NH2+]CC[C@@H](C)N2CCCCC2)CC[NH2+]CC1 ZINC000423036324 240337506 /nfs/dbraw/zinc/33/75/06/240337506.db2.gz TYAZFFRVAAJUIM-SJORKVTESA-N 2 3 339.524 2.162 20 0 EEADHP CCOC(=O)C1([C@H](C)NCC[C@@H](C)[NH+]2CCCCC2)CC[NH2+]CC1 ZINC000423036324 240337510 /nfs/dbraw/zinc/33/75/10/240337510.db2.gz TYAZFFRVAAJUIM-SJORKVTESA-N 2 3 339.524 2.162 20 0 EEADHP CCOC(=O)C1([C@H](C)[NH2+]CC[C@H](C)N2CCCCC2)CC[NH2+]CC1 ZINC000423036323 240338803 /nfs/dbraw/zinc/33/88/03/240338803.db2.gz TYAZFFRVAAJUIM-IRXDYDNUSA-N 2 3 339.524 2.162 20 0 EEADHP CCOC(=O)C1([C@H](C)NCC[C@H](C)[NH+]2CCCCC2)CC[NH2+]CC1 ZINC000423036323 240338810 /nfs/dbraw/zinc/33/88/10/240338810.db2.gz TYAZFFRVAAJUIM-IRXDYDNUSA-N 2 3 339.524 2.162 20 0 EEADHP CCN1CCN(c2ccccc2C[NH+]2CCC([C@@H](C)[NH3+])CC2)CC1 ZINC000347179396 466454635 /nfs/dbraw/zinc/45/46/35/466454635.db2.gz UHOFJIIHQXYZQG-QGZVFWFLSA-N 2 3 330.520 2.388 20 0 EEADHP C[NH+](C)CCN1CCC(C[NH2+][C@H]2CCN[C@@H](c3ccccc3)C2)CC1 ZINC000415096928 467488724 /nfs/dbraw/zinc/48/87/24/467488724.db2.gz CBODOZPZWSQNNR-LEWJYISDSA-N 2 3 344.547 2.343 20 0 EEADHP C[C@@H](C[C@@H]1CCC[NH2+]1)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000415126266 467495638 /nfs/dbraw/zinc/49/56/38/467495638.db2.gz GFQAOBNLFRRWGM-HKUYNNGSSA-N 2 3 330.520 2.100 20 0 EEADHP C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cccc(C[NH+](C)C)c1 ZINC000926358426 676906732 /nfs/dbraw/zinc/90/67/32/676906732.db2.gz ZBBUNPJLCZKYKR-KRWDZBQOSA-N 2 3 332.536 2.425 20 0 EEADHP c1cc(CN2CC[NH2+]CC2)ccc1CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000925819027 1206157548 /nfs/dbraw/zinc/15/75/48/1206157548.db2.gz XIBCJVDIVQTCHE-QHAWAJNXSA-N 2 3 342.531 2.102 20 0 EEADHP CC1(C)C[C@@H]([NH3+])C[C@@H](NCc2ccc(CN3CC[NH2+]CC3)cc2)C1 ZINC000925819785 1206157563 /nfs/dbraw/zinc/15/75/63/1206157563.db2.gz ZOYAUBYTAZLTHZ-RBUKOAKNSA-N 2 3 330.520 2.087 20 0 EEADHP COc1ccccc1C1(C[NH2+][C@@H]2CCNC(C)(C)C2)CC[NH2+]CC1 ZINC001246414825 1310304403 /nfs/dbraw/zinc/30/44/03/1310304403.db2.gz JBXKCIVNMHVXIH-MRXNPFEDSA-N 2 3 331.504 2.437 20 0 EEADHP C[C@]1(C[NH3+])CCCCN(Cc2cccc(CN3CC[NH2+]CC3)c2)C1 ZINC001206554530 1323531920 /nfs/dbraw/zinc/53/19/20/1323531920.db2.gz DWRKRTBRSBHCJA-HXUWFJFHSA-N 2 3 330.520 2.043 20 0 EEADHP CN1CCC[C@@H](C[NH+]2CCC3(CC[N@H+](CCn4ccnc4)C3)CC2)C1 ZINC001276498525 1323636206 /nfs/dbraw/zinc/63/62/06/1323636206.db2.gz VMQRITWSOMOPBO-LJQANCHMSA-N 2 3 345.535 2.013 20 0 EEADHP CN1CCC[C@@H](C[NH+]2CCC3(CC[N@@H+](CCn4ccnc4)C3)CC2)C1 ZINC001276498525 1323636212 /nfs/dbraw/zinc/63/62/12/1323636212.db2.gz VMQRITWSOMOPBO-LJQANCHMSA-N 2 3 345.535 2.013 20 0 EEADHP C[NH+](C)CCOCC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000579369315 468351391 /nfs/dbraw/zinc/35/13/91/468351391.db2.gz LHSCYVDYZMVSFK-HSALFYBXSA-N 2 3 331.504 2.065 20 0 EEADHP CN1CCC(O)(C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)CC1 ZINC000286222589 464845206 /nfs/dbraw/zinc/84/52/06/464845206.db2.gz SKWSKMNSZZGBQZ-UHFFFAOYSA-N 2 3 345.531 2.476 20 0 EEADHP CN1CCC(O)(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC000286222589 464845213 /nfs/dbraw/zinc/84/52/13/464845213.db2.gz SKWSKMNSZZGBQZ-UHFFFAOYSA-N 2 3 345.531 2.476 20 0 EEADHP c1ccc(CN2CC[C@H](C[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000423089009 466691200 /nfs/dbraw/zinc/69/12/00/466691200.db2.gz UFUQUDAJSLAIAQ-IVAOSVALSA-N 2 3 343.515 2.255 20 0 EEADHP [NH3+]C[C@H](CN1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1)c1ccc(F)cc1 ZINC000573198233 469080067 /nfs/dbraw/zinc/08/00/67/469080067.db2.gz RZDPDHOZGIWJLA-BHIYHBOVSA-N 2 3 335.467 2.086 20 0 EEADHP NC[C@H](C[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1)c1ccc(F)cc1 ZINC000573198233 469080076 /nfs/dbraw/zinc/08/00/76/469080076.db2.gz RZDPDHOZGIWJLA-BHIYHBOVSA-N 2 3 335.467 2.086 20 0 EEADHP c1cc(CN2CCC(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)CC2)ccn1 ZINC000665240326 471977167 /nfs/dbraw/zinc/97/71/67/471977167.db2.gz IHRDOZILZGJPTJ-XUVXKRRUSA-N 2 3 328.504 2.271 20 0 EEADHP COc1ccccc1CC1([NH2+][C@H]2CCC3(C[NH2+]C3)C2)CCNCC1 ZINC001246426513 1310308836 /nfs/dbraw/zinc/30/88/36/1310308836.db2.gz QMIHJSNORYBWAA-KRWDZBQOSA-N 2 3 329.488 2.092 20 0 EEADHP COc1ccc([C@H]2C[C@H](NCCC[NH2+]CCCC[NH3+])CCO2)cc1 ZINC001246455440 1310314304 /nfs/dbraw/zinc/31/43/04/1310314304.db2.gz FKGPWMPDAREHKR-IEBWSBKVSA-N 2 3 335.492 2.224 20 0 EEADHP [NH3+]CCCC[NH2+]CCCN[C@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001246459812 1310316543 /nfs/dbraw/zinc/31/65/43/1310316543.db2.gz YVXCDYLIIRYGON-ZDUSSCGKSA-N 2 3 329.410 2.269 20 0 EEADHP c1ccc([C@]23CCNC[C@@H]2C[N@H+]([C@H]2CCC4(C[NH2+]C4)C2)CC3)cc1 ZINC001246670449 1310376207 /nfs/dbraw/zinc/37/62/07/1310376207.db2.gz CWJSESHZUQKJKO-SVFBPWRDSA-N 2 3 325.500 2.382 20 0 EEADHP c1ccc([C@]23CCNC[C@@H]2C[N@@H+]([C@H]2CCC4(C[NH2+]C4)C2)CC3)cc1 ZINC001246670449 1310376217 /nfs/dbraw/zinc/37/62/17/1310376217.db2.gz CWJSESHZUQKJKO-SVFBPWRDSA-N 2 3 325.500 2.382 20 0 EEADHP CN1CCC([N@H+](C2CCNCC2)[C@H]2CCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001246995940 1310497565 /nfs/dbraw/zinc/49/75/65/1310497565.db2.gz WBVJLXHPSFCYEF-VQTJNVASSA-N 2 3 334.552 2.057 20 0 EEADHP CN1CCC([N@@H+](C2CCNCC2)[C@H]2CCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001246995940 1310497573 /nfs/dbraw/zinc/49/75/73/1310497573.db2.gz WBVJLXHPSFCYEF-VQTJNVASSA-N 2 3 334.552 2.057 20 0 EEADHP CCN1CCC([NH2+][C@H]2CC[C@H](N3CC[NH+](CC4CC4)CC3)CC2)CC1 ZINC001169233894 803659053 /nfs/dbraw/zinc/65/90/53/803659053.db2.gz XPZKXOONKJTJEO-XUTJKUGGSA-N 2 3 348.579 2.399 20 0 EEADHP CCN1CCN(c2ccccc2C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000346819150 466176911 /nfs/dbraw/zinc/17/69/11/466176911.db2.gz HFLPNNDSDOXDNP-SXLOBPIMSA-N 2 3 342.531 2.388 20 0 EEADHP CCN1CCN(c2ccccc2C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000346819150 466176914 /nfs/dbraw/zinc/17/69/14/466176914.db2.gz HFLPNNDSDOXDNP-SXLOBPIMSA-N 2 3 342.531 2.388 20 0 EEADHP C[C@@H]([NH2+]Cc1ccccc1CN1CC[C@@H](O)C1)C1CC[NH+](C)CC1 ZINC000679769956 485809645 /nfs/dbraw/zinc/80/96/45/485809645.db2.gz AHCLHXKFXLIRKH-OXQOHEQNSA-N 2 3 331.504 2.073 20 0 EEADHP CN(C)CC[N@H+]1CC[C@H]2C[NH+](Cc3cccc4cncn43)C[C@H]2CC1 ZINC001277560459 1303910739 /nfs/dbraw/zinc/91/07/39/1303910739.db2.gz ZZSVTOWYGZLQGE-HDICACEKSA-N 2 3 341.503 2.040 20 0 EEADHP CN(C)CC[N@@H+]1CC[C@H]2C[NH+](Cc3cccc4cncn43)C[C@H]2CC1 ZINC001277560459 1303910743 /nfs/dbraw/zinc/91/07/43/1303910743.db2.gz ZZSVTOWYGZLQGE-HDICACEKSA-N 2 3 341.503 2.040 20 0 EEADHP CN(C)CC[NH+]1CC[C@H]2C[N@@H+](Cc3cccc4cncn43)C[C@H]2CC1 ZINC001277560459 1303910747 /nfs/dbraw/zinc/91/07/47/1303910747.db2.gz ZZSVTOWYGZLQGE-HDICACEKSA-N 2 3 341.503 2.040 20 0 EEADHP CN(C)CC[NH+]1CC[C@H]2C[N@H+](Cc3cccc4cncn43)C[C@H]2CC1 ZINC001277560459 1303910749 /nfs/dbraw/zinc/91/07/49/1303910749.db2.gz ZZSVTOWYGZLQGE-HDICACEKSA-N 2 3 341.503 2.040 20 0 EEADHP C[NH+](C)CCN1CC[C@H]2C[N@@H+](Cc3cccc4cncn43)C[C@H]2CC1 ZINC001277560459 1303910755 /nfs/dbraw/zinc/91/07/55/1303910755.db2.gz ZZSVTOWYGZLQGE-HDICACEKSA-N 2 3 341.503 2.040 20 0 EEADHP C[NH+](C)CCN1CC[C@H]2C[N@H+](Cc3cccc4cncn43)C[C@H]2CC1 ZINC001277560459 1303910756 /nfs/dbraw/zinc/91/07/56/1303910756.db2.gz ZZSVTOWYGZLQGE-HDICACEKSA-N 2 3 341.503 2.040 20 0 EEADHP COc1cccc(C2(C[NH2+][C@@H]3C[C@@H](C)N[C@@H](C)C3)CC[NH2+]CC2)c1 ZINC001246385422 1310294805 /nfs/dbraw/zinc/29/48/05/1310294805.db2.gz FQOFGQVZXIZZOD-ALXJQNPVSA-N 2 3 331.504 2.435 20 0 EEADHP CCN1CCN([C@H](C)C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)CC1 ZINC000924667021 693111172 /nfs/dbraw/zinc/11/11/72/693111172.db2.gz FXDGHHZBZIZSAV-QZTJIDSGSA-N 2 3 332.536 2.425 20 0 EEADHP CCC[NH+](CCC)CCN1CCN(CCC2CC[NH+](C)CC2)CC1 ZINC001207486465 1323991947 /nfs/dbraw/zinc/99/19/47/1323991947.db2.gz IZFJHTJEOYCAOZ-UHFFFAOYSA-N 2 3 338.584 2.458 20 0 EEADHP CN1CCC[C@]2(CC[N@H+](CCCN3CC[C@@]4(C3)CCC[NH+](C)C4)C2)C1 ZINC000815146279 1367821755 /nfs/dbraw/zinc/82/17/55/1367821755.db2.gz PMUGEGRJSOMJIU-SFTDATJTSA-N 2 3 348.579 2.212 20 0 EEADHP CN1CCC[C@]2(CC[N@@H+](CCCN3CC[C@@]4(C3)CCC[NH+](C)C4)C2)C1 ZINC000815146279 1367821757 /nfs/dbraw/zinc/82/17/57/1367821757.db2.gz PMUGEGRJSOMJIU-SFTDATJTSA-N 2 3 348.579 2.212 20 0 EEADHP CN1CCC[C@]2(CC[NH+](CCCN3CC[C@@]4(C3)CCC[N@H+](C)C4)C2)C1 ZINC000815146279 1367821760 /nfs/dbraw/zinc/82/17/60/1367821760.db2.gz PMUGEGRJSOMJIU-SFTDATJTSA-N 2 3 348.579 2.212 20 0 EEADHP CN1CCC[C@]2(CC[NH+](CCCN3CC[C@@]4(C3)CCC[N@@H+](C)C4)C2)C1 ZINC000815146279 1367821763 /nfs/dbraw/zinc/82/17/63/1367821763.db2.gz PMUGEGRJSOMJIU-SFTDATJTSA-N 2 3 348.579 2.212 20 0 EEADHP CC1(C)[C@@H]2NCCC[C@H]2[C@@H]1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC001550474522 1121864153 /nfs/dbraw/zinc/86/41/53/1121864153.db2.gz XMTCXXYZQCCWQR-QRVBRYPASA-N 2 3 335.536 2.244 20 0 EEADHP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000423102351 240366753 /nfs/dbraw/zinc/36/67/53/240366753.db2.gz JZKLQYGVUWUXHQ-YSSFQJQWSA-N 2 3 347.503 2.002 20 0 EEADHP [NH3+]C[C@H]1CCCC[C@@H]1NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000423534014 295267350 /nfs/dbraw/zinc/26/73/50/295267350.db2.gz ZDLPQQCUYJDJRV-MOPGFXCFSA-N 2 3 330.520 2.087 20 0 EEADHP CC[NH+]1CCC(N2CCCN(CCC[NH+]3CCCCC3)CC2)CC1 ZINC000420985579 314016383 /nfs/dbraw/zinc/01/63/83/314016383.db2.gz WITXLDVEWCIKKK-UHFFFAOYSA-N 2 3 336.568 2.354 20 0 EEADHP C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000423102350 466691718 /nfs/dbraw/zinc/69/17/18/466691718.db2.gz JZKLQYGVUWUXHQ-RYGJVYDSSA-N 2 3 347.503 2.002 20 0 EEADHP CC(C)N1CCN(C2CC[NH+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)CC1 ZINC000903898252 1242388086 /nfs/dbraw/zinc/38/80/86/1242388086.db2.gz MYDCVOYQGZNLKK-YQQQUEKLSA-N 2 3 334.552 2.007 20 0 EEADHP Cc1cc(CN2CCC3(C2)CC[NH+](CC2CC[NH2+]CC2)CC3)n(C)n1 ZINC001276714051 1296571424 /nfs/dbraw/zinc/57/14/24/1296571424.db2.gz OLYZRGXVMNGOOF-UHFFFAOYSA-N 2 3 345.535 2.016 20 0 EEADHP [NH3+]C[C@]1(F)CCC[N@H+](CC2(O)CCN(Cc3ccccc3)CC2)CC1 ZINC001246018618 1310211544 /nfs/dbraw/zinc/21/15/44/1310211544.db2.gz FXTXUVFYHFPTLY-IBGZPJMESA-N 2 3 349.494 2.166 20 0 EEADHP [NH3+]C[C@]1(F)CCC[N@@H+](CC2(O)CCN(Cc3ccccc3)CC2)CC1 ZINC001246018618 1310211552 /nfs/dbraw/zinc/21/15/52/1310211552.db2.gz FXTXUVFYHFPTLY-IBGZPJMESA-N 2 3 349.494 2.166 20 0 EEADHP c1ccc(CC2([NH2+]C3CCC4(CC[NH2+]C4)CC3)CCNCC2)nc1 ZINC001246371153 1310292335 /nfs/dbraw/zinc/29/23/35/1310292335.db2.gz LWCHWVSGRUEBAS-UHFFFAOYSA-N 2 3 328.504 2.258 20 0 EEADHP COc1cccc(CC2([NH2+][C@@H]3CCC4(C[NH2+]C4)C3)CCNCC2)c1 ZINC001246374611 1310293157 /nfs/dbraw/zinc/29/31/57/1310293157.db2.gz FVTWRJXGUKUVDI-QGZVFWFLSA-N 2 3 329.488 2.092 20 0 EEADHP C[NH+]1CCC(C)(C[N@H+]2C[C@@H]3CCN(Cc4cn[nH]c4)CC[C@@H]3C2)CC1 ZINC001276452800 1322108517 /nfs/dbraw/zinc/10/85/17/1322108517.db2.gz BQUNIOLCUZTWRJ-KDURUIRLSA-N 2 3 345.535 2.285 20 0 EEADHP C[NH+]1CCC(C)(C[N@@H+]2C[C@@H]3CCN(Cc4cn[nH]c4)CC[C@@H]3C2)CC1 ZINC001276452800 1322108521 /nfs/dbraw/zinc/10/85/21/1322108521.db2.gz BQUNIOLCUZTWRJ-KDURUIRLSA-N 2 3 345.535 2.285 20 0 EEADHP CC[N@@H+]1C[C@@]2(C[C@@H](N[C@@H]3CC[NH+]4CCC[C@@H]4C3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550354944 1121766691 /nfs/dbraw/zinc/76/66/91/1121766691.db2.gz PKXCJSFGRSCFRI-MUJBESKKSA-N 2 3 335.536 2.073 20 0 EEADHP CC[N@H+]1C[C@@]2(C[C@@H](N[C@@H]3CC[NH+]4CCC[C@@H]4C3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550354944 1121766697 /nfs/dbraw/zinc/76/66/97/1121766697.db2.gz PKXCJSFGRSCFRI-MUJBESKKSA-N 2 3 335.536 2.073 20 0 EEADHP CC[NH+]1C[C@@]2(C[C@@H](N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550354944 1121766706 /nfs/dbraw/zinc/76/67/06/1121766706.db2.gz PKXCJSFGRSCFRI-MUJBESKKSA-N 2 3 335.536 2.073 20 0 EEADHP CC[NH+]1C[C@@]2(C[C@@H](N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550354944 1121766715 /nfs/dbraw/zinc/76/67/15/1121766715.db2.gz PKXCJSFGRSCFRI-MUJBESKKSA-N 2 3 335.536 2.073 20 0 EEADHP CC1(C)[C@@H]2NCCC[C@@H]2[C@H]1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC001550474520 1121864925 /nfs/dbraw/zinc/86/49/25/1121864925.db2.gz XMTCXXYZQCCWQR-IPMKNSEASA-N 2 3 335.536 2.244 20 0 EEADHP C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000422914564 240290001 /nfs/dbraw/zinc/29/00/01/240290001.db2.gz UTLUUQANTXRFNZ-DBVUQKKJSA-N 2 3 347.503 2.003 20 0 EEADHP [NH3+][C@H]1CCO[C@@H](C2CCN(Cc3ccc4c(c3)C[NH2+]CC4)CC2)C1 ZINC000580439757 324064544 /nfs/dbraw/zinc/06/45/44/324064544.db2.gz QKVJWCRJYGKDFF-VQTJNVASSA-N 2 3 329.488 2.051 20 0 EEADHP [NH3+]C1(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCN(Cc2ccccc2)CC1 ZINC000423544787 466770382 /nfs/dbraw/zinc/77/03/82/466770382.db2.gz CKIOFVVBYRCQNA-VQTJNVASSA-N 2 3 342.531 2.196 20 0 EEADHP [NH3+]C1(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)CCN(Cc2ccccc2)CC1 ZINC000423544787 466770387 /nfs/dbraw/zinc/77/03/87/466770387.db2.gz CKIOFVVBYRCQNA-VQTJNVASSA-N 2 3 342.531 2.196 20 0 EEADHP C[C@@H]1C[C@H]([NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)CCN1C ZINC000423576375 466776834 /nfs/dbraw/zinc/77/68/34/466776834.db2.gz RBNCVDPAGZAVEZ-IEBWSBKVSA-N 2 3 330.520 2.052 20 0 EEADHP C[C@@H]([NH3+])[C@H]1CCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000435375695 467463825 /nfs/dbraw/zinc/46/38/25/467463825.db2.gz NPGRDUSOUAPGRY-SJORKVTESA-N 2 3 330.520 2.386 20 0 EEADHP [NH3+]CCC[C@H](NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccccc1 ZINC000925621046 1206136486 /nfs/dbraw/zinc/13/64/86/1206136486.db2.gz YCLRQFLCERZHQY-SLFFLAALSA-N 2 3 331.504 2.434 20 0 EEADHP CCN(CC)C[C@H](O)C[NH2+][C@H](c1cccc(F)c1)C1CC[NH2+]CC1 ZINC001245997224 1310204774 /nfs/dbraw/zinc/20/47/74/1310204774.db2.gz BSEZAEXNTYWYPS-MOPGFXCFSA-N 2 3 337.483 2.159 20 0 EEADHP CCOC(=O)C[C@H](N[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1)C1CC[NH2+]CC1 ZINC001246231442 1310262966 /nfs/dbraw/zinc/26/29/66/1310262966.db2.gz UGHJQQXIAOHZIQ-IXDOHACOSA-N 2 3 339.524 2.064 20 0 EEADHP CC(C)[N@H+](C)CCCNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849060743 1338834599 /nfs/dbraw/zinc/83/45/99/1338834599.db2.gz NZBXQLCECMXSDS-UHFFFAOYSA-N 2 3 345.535 2.495 20 0 EEADHP CC(C)[N@@H+](C)CCCNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849060743 1338834602 /nfs/dbraw/zinc/83/46/02/1338834602.db2.gz NZBXQLCECMXSDS-UHFFFAOYSA-N 2 3 345.535 2.495 20 0 EEADHP O[C@@H]1CCC[C@@H]1N1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000422993688 240322076 /nfs/dbraw/zinc/32/20/76/240322076.db2.gz TYPVMNASOSDCBZ-UHZRXMQZSA-N 2 3 335.536 2.265 20 0 EEADHP [NH3+][C@@H]1CCO[C@H](C2CCN(Cc3ccc4c(c3)C[NH2+]CC4)CC2)C1 ZINC000580439756 324064072 /nfs/dbraw/zinc/06/40/72/324064072.db2.gz QKVJWCRJYGKDFF-UXHICEINSA-N 2 3 329.488 2.051 20 0 EEADHP CCOC(=O)C1([C@@H](C)NC2CC[NH+](CC(C)C)CC2)CC[NH2+]CC1 ZINC000422818227 466683682 /nfs/dbraw/zinc/68/36/82/466683682.db2.gz JWXOIMHTERGBJG-MRXNPFEDSA-N 2 3 339.524 2.018 20 0 EEADHP CN(C)CCOc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000647545703 470927549 /nfs/dbraw/zinc/92/75/49/470927549.db2.gz GOTORDGSCPOGSS-RBUKOAKNSA-N 2 3 331.504 2.449 20 0 EEADHP CN(C)CCOc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000647545703 470927554 /nfs/dbraw/zinc/92/75/54/470927554.db2.gz GOTORDGSCPOGSS-RBUKOAKNSA-N 2 3 331.504 2.449 20 0 EEADHP [NH3+]CCC[C@H](NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccccc1 ZINC000925621049 1206136541 /nfs/dbraw/zinc/13/65/41/1206136541.db2.gz YCLRQFLCERZHQY-ZCNNSNEGSA-N 2 3 331.504 2.434 20 0 EEADHP C([C@H]1CC2(CO1)CC[NH2+]CC2)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000903756603 1241847751 /nfs/dbraw/zinc/84/77/51/1241847751.db2.gz TUOGCVHYGSCTTD-QRQLOZEOSA-N 2 3 333.520 2.094 20 0 EEADHP C([C@H]1CC2(CO1)CC[NH2+]CC2)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000903756603 1241847766 /nfs/dbraw/zinc/84/77/66/1241847766.db2.gz TUOGCVHYGSCTTD-QRQLOZEOSA-N 2 3 333.520 2.094 20 0 EEADHP COc1ccc2c(c1)C1(C[C@H]2N[C@H]2CCC[NH2+]CC2)CC[NH2+]CC1 ZINC001246127677 1310241990 /nfs/dbraw/zinc/24/19/90/1310241990.db2.gz OVIVUMOWRAGABJ-HNAYVOBHSA-N 2 3 329.488 2.493 20 0 EEADHP Clc1ccc(C2([NH2+][C@H]3CSC4(C[NH2+]C4)C3)CCNCC2)cc1 ZINC001246333851 1310282463 /nfs/dbraw/zinc/28/24/63/1310282463.db2.gz BBKNRHBXFJPQMO-OAHLLOKOSA-N 2 3 337.920 2.356 20 0 EEADHP c1ccc(CC2(C[NH2+][C@@H]3CCNC4(CCC4)C3)CC[NH2+]CC2)nc1 ZINC001246419851 1310306380 /nfs/dbraw/zinc/30/63/80/1310306380.db2.gz HLMCBJSHRFKPSM-GOSISDBHSA-N 2 3 328.504 2.258 20 0 EEADHP c1cncc(CC2([NH2+][C@@H]3CCC4(C3)CC[NH2+]CC4)CCNCC2)c1 ZINC001246423364 1310307487 /nfs/dbraw/zinc/30/74/87/1310307487.db2.gz ZNXJIYACVFZMSH-GOSISDBHSA-N 2 3 328.504 2.258 20 0 EEADHP CCN(C)C[C@H]1CC[N@H+](CC(C)CN2CC[C@H](C[NH+](C)CC)C2)C1 ZINC000173898017 464327143 /nfs/dbraw/zinc/32/71/43/464327143.db2.gz NCMFOABHTDHHOX-WOJBJXKFSA-N 2 3 338.584 2.170 20 0 EEADHP CCN(C)C[C@H]1CC[N@@H+](CC(C)CN2CC[C@H](C[NH+](C)CC)C2)C1 ZINC000173898017 464327150 /nfs/dbraw/zinc/32/71/50/464327150.db2.gz NCMFOABHTDHHOX-WOJBJXKFSA-N 2 3 338.584 2.170 20 0 EEADHP CCN(C)C[C@H]1CC[NH+](CC(C)CN2CC[C@H](C[N@H+](C)CC)C2)C1 ZINC000173898017 464327157 /nfs/dbraw/zinc/32/71/57/464327157.db2.gz NCMFOABHTDHHOX-WOJBJXKFSA-N 2 3 338.584 2.170 20 0 EEADHP CCN(C)C[C@H]1CC[NH+](CC(C)CN2CC[C@H](C[N@@H+](C)CC)C2)C1 ZINC000173898017 464327165 /nfs/dbraw/zinc/32/71/65/464327165.db2.gz NCMFOABHTDHHOX-WOJBJXKFSA-N 2 3 338.584 2.170 20 0 EEADHP CC[NH+](C)C[C@H]1CCN(CC(C)CN2CC[C@H](C[N@@H+](C)CC)C2)C1 ZINC000173898017 464327171 /nfs/dbraw/zinc/32/71/71/464327171.db2.gz NCMFOABHTDHHOX-WOJBJXKFSA-N 2 3 338.584 2.170 20 0 EEADHP CC[NH+](C)C[C@H]1CCN(CC(C)CN2CC[C@H](C[N@H+](C)CC)C2)C1 ZINC000173898017 464327179 /nfs/dbraw/zinc/32/71/79/464327179.db2.gz NCMFOABHTDHHOX-WOJBJXKFSA-N 2 3 338.584 2.170 20 0 EEADHP C[C@H]([NH2+]Cc1ccccc1CN1CC[C@@H](O)C1)C1CC[NH+](C)CC1 ZINC000679769955 485810464 /nfs/dbraw/zinc/81/04/64/485810464.db2.gz AHCLHXKFXLIRKH-OXJNMPFZSA-N 2 3 331.504 2.073 20 0 EEADHP CN1CCC([NH+]2CCC3(CCC[N@H+](Cc4cn[nH]c4)C3)CC2)CC1 ZINC001277624623 1304027324 /nfs/dbraw/zinc/02/73/24/1304027324.db2.gz FIYXPWCSRFQFLB-UHFFFAOYSA-N 2 3 331.508 2.182 20 0 EEADHP CN1CCC([NH+]2CCC3(CCC[N@@H+](Cc4cn[nH]c4)C3)CC2)CC1 ZINC001277624623 1304027325 /nfs/dbraw/zinc/02/73/25/1304027325.db2.gz FIYXPWCSRFQFLB-UHFFFAOYSA-N 2 3 331.508 2.182 20 0 EEADHP c1ccc(C[C@@H]2C[C@@H]([NH2+]C[C@@H]3CCC4(CC[NH2+]CC4)O3)CCN2)cc1 ZINC001246134127 1310243501 /nfs/dbraw/zinc/24/35/01/1310243501.db2.gz LTZJCRJXXMHSOQ-ZCNNSNEGSA-N 2 3 343.515 2.241 20 0 EEADHP c1ccc(CC2(C[NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)N4)CC[NH2+]CC2)nc1 ZINC001246421787 1310307011 /nfs/dbraw/zinc/30/70/11/1310307011.db2.gz PCEZCDXGWOCFEK-IZZQQSIFSA-N 2 3 328.504 2.257 20 0 EEADHP C[NH+](C)CC(C)(C)CN1CCC2(CC[N@H+](CCn3ccnc3)C2)CC1 ZINC001276657785 1324987045 /nfs/dbraw/zinc/98/70/45/1324987045.db2.gz CBJONPSUIYCZRK-UHFFFAOYSA-N 2 3 347.551 2.259 20 0 EEADHP C[NH+](C)CC(C)(C)CN1CCC2(CC[N@@H+](CCn3ccnc3)C2)CC1 ZINC001276657785 1324987046 /nfs/dbraw/zinc/98/70/46/1324987046.db2.gz CBJONPSUIYCZRK-UHFFFAOYSA-N 2 3 347.551 2.259 20 0 EEADHP C[C@H]1CC[NH2+]CC[C@H]1NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000422747670 240204366 /nfs/dbraw/zinc/20/43/66/240204366.db2.gz ZFPCTNKKLSOQDZ-OXJNMPFZSA-N 2 3 331.504 2.121 20 0 EEADHP C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000422904510 240285723 /nfs/dbraw/zinc/28/57/23/240285723.db2.gz QHWWLWSMPZJLHH-DBVUQKKJSA-N 2 3 331.504 2.241 20 0 EEADHP CC(CN1CCC[C@H]([NH+](C)C)CC1)C[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000429554874 467346023 /nfs/dbraw/zinc/34/60/23/467346023.db2.gz UPUNYGUCSFGOMI-PMACEKPBSA-N 2 3 338.584 2.455 20 0 EEADHP CC(CN1CCC[C@H]([NH+](C)C)CC1)C[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000429554874 467346026 /nfs/dbraw/zinc/34/60/26/467346026.db2.gz UPUNYGUCSFGOMI-PMACEKPBSA-N 2 3 338.584 2.455 20 0 EEADHP CCN1CCN(c2ccccc2C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000414988837 467461408 /nfs/dbraw/zinc/46/14/08/467461408.db2.gz GJWNXJGIICATOF-MJGOQNOKSA-N 2 3 330.520 2.436 20 0 EEADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC001219022136 1297909884 /nfs/dbraw/zinc/90/98/84/1297909884.db2.gz CEMJMRDXVPWJAS-SFHVURJKSA-N 2 3 334.508 2.225 20 0 EEADHP C[C@@H](CN1CC[NH2+]CC1)N[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001246082785 1310231798 /nfs/dbraw/zinc/23/17/98/1310231798.db2.gz YIPCIZCNUNNHQZ-AZUAARDMSA-N 2 3 344.547 2.313 20 0 EEADHP C[C@@H](CN1CC[NH2+]CC1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001246082785 1310231804 /nfs/dbraw/zinc/23/18/04/1310231804.db2.gz YIPCIZCNUNNHQZ-AZUAARDMSA-N 2 3 344.547 2.313 20 0 EEADHP C[C@@H](CN1CC[NH2+]CC1)NC1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001246083111 1310232272 /nfs/dbraw/zinc/23/22/72/1310232272.db2.gz ZLRJDGMUXCKQKA-IPMKNSEASA-N 2 3 344.547 2.311 20 0 EEADHP c1ccc(CN2CCC([NH2+]C[C@@H]3CCC4(CC[NH2+]CC4)N3)CC2)cc1 ZINC001246151326 1310247548 /nfs/dbraw/zinc/24/75/48/1310247548.db2.gz XZRACBUEYGKOHD-FQEVSTJZSA-N 2 3 342.531 2.115 20 0 EEADHP Clc1ccc(C[N@H+](C2CCNCC2)[C@H]2CCOC3(C[NH2+]C3)C2)cc1 ZINC001246945842 1310474217 /nfs/dbraw/zinc/47/42/17/1310474217.db2.gz IXNDYXKDEBBRCZ-SFHVURJKSA-N 2 3 349.906 2.415 20 0 EEADHP Clc1ccc(C[N@@H+](C2CCNCC2)[C@H]2CCOC3(C[NH2+]C3)C2)cc1 ZINC001246945842 1310474222 /nfs/dbraw/zinc/47/42/22/1310474222.db2.gz IXNDYXKDEBBRCZ-SFHVURJKSA-N 2 3 349.906 2.415 20 0 EEADHP [NH3+]CCCCN1CCN(C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC001258139613 1319188294 /nfs/dbraw/zinc/18/82/94/1319188294.db2.gz KUTKMGZJIDOEPH-UHFFFAOYSA-N 2 3 344.547 2.050 20 0 EEADHP C[C@@H]1CC[NH2+]CC[C@H]1NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000422840585 240255101 /nfs/dbraw/zinc/25/51/01/240255101.db2.gz UAHRYZBQKWXBEJ-OXQOHEQNSA-N 2 3 331.504 2.121 20 0 EEADHP CCCC[C@@H]1C[C@H](N[C@@H](CC(=O)OCC)C2CC[NH2+]CC2)CC[NH2+]1 ZINC001246231657 1310263321 /nfs/dbraw/zinc/26/33/21/1310263321.db2.gz WAQKOXNEDQCFCH-KURKYZTESA-N 2 3 339.524 2.208 20 0 EEADHP COc1ccc(C2(C[NH2+]C3C[C@H](C)N[C@@H](C)C3)CC[NH2+]CC2)cc1 ZINC001246418786 1310306039 /nfs/dbraw/zinc/30/60/39/1310306039.db2.gz PDRRIMBJAROXGK-HOTGVXAUSA-N 2 3 331.504 2.435 20 0 EEADHP CCOC(=O)c1ccc(C[C@H](C)NCCC[NH2+]CCCC[NH3+])cc1 ZINC001246458826 1310316154 /nfs/dbraw/zinc/31/61/54/1310316154.db2.gz WEGHAIUIYPTSDE-INIZCTEOSA-N 2 3 335.492 2.103 20 0 EEADHP CC[N@@H+]1C[C@@]2(C[C@@H](N[C@@H]3CC[NH+]4CCC[C@H]4C3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550354948 1121767157 /nfs/dbraw/zinc/76/71/57/1121767157.db2.gz PKXCJSFGRSCFRI-XUFBONQXSA-N 2 3 335.536 2.073 20 0 EEADHP CC[N@H+]1C[C@@]2(C[C@@H](N[C@@H]3CC[NH+]4CCC[C@H]4C3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550354948 1121767163 /nfs/dbraw/zinc/76/71/63/1121767163.db2.gz PKXCJSFGRSCFRI-XUFBONQXSA-N 2 3 335.536 2.073 20 0 EEADHP CC[NH+]1C[C@@]2(C[C@@H](N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550354948 1121767167 /nfs/dbraw/zinc/76/71/67/1121767167.db2.gz PKXCJSFGRSCFRI-XUFBONQXSA-N 2 3 335.536 2.073 20 0 EEADHP CC[NH+]1C[C@@]2(C[C@@H](N[C@@H]3CC[N@H+]4CCC[C@H]4C3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550354948 1121767173 /nfs/dbraw/zinc/76/71/73/1121767173.db2.gz PKXCJSFGRSCFRI-XUFBONQXSA-N 2 3 335.536 2.073 20 0 EEADHP COc1ccc([C@H](CN)C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)cc1 ZINC001551396336 1124415031 /nfs/dbraw/zinc/41/50/31/1124415031.db2.gz BLHRUPVGMCYSKQ-MANSERQUSA-N 2 3 331.504 2.400 20 0 EEADHP COc1ccc([C@H](CN)C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)cc1 ZINC001551396336 1124415037 /nfs/dbraw/zinc/41/50/37/1124415037.db2.gz BLHRUPVGMCYSKQ-MANSERQUSA-N 2 3 331.504 2.400 20 0 EEADHP CCOC(=O)C1([C@@H](C)[NH2+]Cc2cccc(CN(C)C)c2)CC[NH2+]CC1 ZINC000422807311 240237110 /nfs/dbraw/zinc/23/71/10/240237110.db2.gz MDTHQALMZSNJRX-MRXNPFEDSA-N 2 3 347.503 2.159 20 0 EEADHP CC(C)CCN1CCC([NH2+]CCCC[N@@H+]2CCC[C@H]2CO)CC1 ZINC000925023641 682549864 /nfs/dbraw/zinc/54/98/64/682549864.db2.gz NPPNDKAAPOBENE-IBGZPJMESA-N 2 3 325.541 2.323 20 0 EEADHP CC(C)CCN1CCC([NH2+]CCCC[N@H+]2CCC[C@H]2CO)CC1 ZINC000925023641 682549869 /nfs/dbraw/zinc/54/98/69/682549869.db2.gz NPPNDKAAPOBENE-IBGZPJMESA-N 2 3 325.541 2.323 20 0 EEADHP Clc1ccc(C2([NH2+][C@@H]3CSC4(C[NH2+]C4)C3)CCNCC2)cc1 ZINC001246333849 1310281700 /nfs/dbraw/zinc/28/17/00/1310281700.db2.gz BBKNRHBXFJPQMO-HNNXBMFYSA-N 2 3 337.920 2.356 20 0 EEADHP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000817928299 785046106 /nfs/dbraw/zinc/04/61/06/785046106.db2.gz TWCXRFPZXPRLEC-FFGOWVMKSA-N 2 3 331.504 2.241 20 0 EEADHP COCC1(C[NH2+][C@H](C)c2cccc(OCCN(C)C)c2)CC[NH2+]CC1 ZINC000423395334 466738525 /nfs/dbraw/zinc/73/85/25/466738525.db2.gz AJWCNYCIFAACDJ-QGZVFWFLSA-N 2 3 349.519 2.294 20 0 EEADHP CN(c1ccccc1C[NH+]1CCC(C[NH3+])CC1)C1CCN(C)CC1 ZINC000435376241 467463724 /nfs/dbraw/zinc/46/37/24/467463724.db2.gz ZAUIEOWIGWIHMS-UHFFFAOYSA-N 2 3 330.520 2.388 20 0 EEADHP c1ccc(CC2([NH2+][C@H]3CCC[C@]4(CC[NH2+]C4)C3)CCNCC2)nc1 ZINC001246368587 1310291697 /nfs/dbraw/zinc/29/16/97/1310291697.db2.gz FXRHJADIVHKDFG-OALUTQOASA-N 2 3 328.504 2.258 20 0 EEADHP c1cc(C[N@H+](C2CCC2)C2CCNCC2)cc(N2CC[NH2+]CC2)c1 ZINC001236632736 1305619103 /nfs/dbraw/zinc/61/91/03/1305619103.db2.gz AATYQSJRPOETSP-UHFFFAOYSA-N 2 3 328.504 2.203 20 0 EEADHP c1cc(C[N@@H+](C2CCC2)C2CCNCC2)cc(N2CC[NH2+]CC2)c1 ZINC001236632736 1305619111 /nfs/dbraw/zinc/61/91/11/1305619111.db2.gz AATYQSJRPOETSP-UHFFFAOYSA-N 2 3 328.504 2.203 20 0 EEADHP COc1ccc([C@@H]2C[C@@H](NCCC[NH2+]CCCC[NH3+])CCO2)cc1 ZINC001246455438 1310315285 /nfs/dbraw/zinc/31/52/85/1310315285.db2.gz FKGPWMPDAREHKR-HKUYNNGSSA-N 2 3 335.492 2.224 20 0 EEADHP C[C@H]1C[C@@H]([NH+]2CCN(CCC[NH3+])CC2)CCN1Cc1ccccc1 ZINC001256529423 1318766296 /nfs/dbraw/zinc/76/62/96/1318766296.db2.gz BVQFJKOPHZEJAZ-ICSRJNTNSA-N 2 3 330.520 2.006 20 0 EEADHP C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000422914566 240290287 /nfs/dbraw/zinc/29/02/87/240290287.db2.gz UTLUUQANTXRFNZ-PWIZWCRZSA-N 2 3 347.503 2.003 20 0 EEADHP CCN1CCC([NH+](C)C/C=C\C[N@@H+](C)C2CCN(CC)CC2)CC1 ZINC000340202635 465872524 /nfs/dbraw/zinc/87/25/24/465872524.db2.gz KHQACZAARLHDDL-FPLPWBNLSA-N 2 3 336.568 2.375 20 0 EEADHP CCN1CCC([NH+](C)C/C=C\C[N@H+](C)C2CCN(CC)CC2)CC1 ZINC000340202635 465872531 /nfs/dbraw/zinc/87/25/31/465872531.db2.gz KHQACZAARLHDDL-FPLPWBNLSA-N 2 3 336.568 2.375 20 0 EEADHP C[C@@H]1C[C@H](C[NH3+])CN1Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000435371943 467462823 /nfs/dbraw/zinc/46/28/23/467462823.db2.gz PDJUMNRNKYJLQU-IAGOWNOFSA-N 2 3 330.520 2.386 20 0 EEADHP CN(C)CCOc1ccc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647786708 470984409 /nfs/dbraw/zinc/98/44/09/470984409.db2.gz WXAJZRZTQPUODI-GUDVDZBRSA-N 2 3 331.504 2.147 20 0 EEADHP c1ccc(COC[C@@H]2CCC3(CCNCC3)[N@@H+]2CCC2C[NH2+]C2)cc1 ZINC001222574042 1299699209 /nfs/dbraw/zinc/69/92/09/1299699209.db2.gz FWSSNOAHNAVDFF-FQEVSTJZSA-N 2 3 343.515 2.399 20 0 EEADHP c1ccc(COC[C@@H]2CCC3(CCNCC3)[N@H+]2CCC2C[NH2+]C2)cc1 ZINC001222574042 1299699214 /nfs/dbraw/zinc/69/92/14/1299699214.db2.gz FWSSNOAHNAVDFF-FQEVSTJZSA-N 2 3 343.515 2.399 20 0 EEADHP c1ccc(CN2CCC[C@@H]([NH2+]C3CN(C4CC[NH2+]CC4)C3)CC2)cc1 ZINC001246213173 1310260995 /nfs/dbraw/zinc/26/09/95/1310260995.db2.gz DABZBTAASFKPPL-LJQANCHMSA-N 2 3 342.531 2.067 20 0 EEADHP COc1ccccc1C1(CN[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]CC1 ZINC001246414782 1310304785 /nfs/dbraw/zinc/30/47/85/1310304785.db2.gz IHWXUVKFISIUKB-FVQHAEBGSA-N 2 3 329.488 2.189 20 0 EEADHP CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000442917081 315219666 /nfs/dbraw/zinc/21/96/66/315219666.db2.gz BZYZOBQXKJQPPY-SFHVURJKSA-N 2 3 330.520 2.389 20 0 EEADHP CCN1CCN(c2ccccc2C[N@H+]2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000442917081 315219668 /nfs/dbraw/zinc/21/96/68/315219668.db2.gz BZYZOBQXKJQPPY-SFHVURJKSA-N 2 3 330.520 2.389 20 0 EEADHP CN(c1ccccc1C[NH2+][C@@H]1CC12CC[NH2+]CC2)C1CCN(C)CC1 ZINC000666953989 471602395 /nfs/dbraw/zinc/60/23/95/471602395.db2.gz MXMNXTQOVPSNOP-HXUWFJFHSA-N 2 3 342.531 2.449 20 0 EEADHP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1C[C@@H](O)CN1CCCC1 ZINC000903747050 1241818848 /nfs/dbraw/zinc/81/88/48/1241818848.db2.gz OOOJONVKWWWNTF-PCCBWWKXSA-N 2 3 345.531 2.115 20 0 EEADHP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1C[C@@H](O)CN1CCCC1 ZINC000903747050 1241818858 /nfs/dbraw/zinc/81/88/58/1241818858.db2.gz OOOJONVKWWWNTF-PCCBWWKXSA-N 2 3 345.531 2.115 20 0 EEADHP COc1ccccc1C1([NH2+]C2CCC3(C[NH2+]C3)CC2)CCNCC1 ZINC001246375121 1310292978 /nfs/dbraw/zinc/29/29/78/1310292978.db2.gz HTMJAWMVSICBCV-UHFFFAOYSA-N 2 3 329.488 2.396 20 0 EEADHP Clc1ccccc1CC1([NH2+][C@@H]2CCOC3(C[NH2+]C3)C2)CCNCC1 ZINC001246390399 1310297480 /nfs/dbraw/zinc/29/74/80/1310297480.db2.gz LIEFUEZZAMGDQS-MRXNPFEDSA-N 2 3 349.906 2.115 20 0 EEADHP CC[N@H+](CCC1CCN(C[C@]2(O)CCC[NH2+]C2)CC1)CC(C)C ZINC001573770963 1403517781 /nfs/dbraw/zinc/51/77/81/1403517781.db2.gz JQDOJRRKXVUALJ-IBGZPJMESA-N 2 3 325.541 2.181 20 0 EEADHP CC[N@@H+](CCC1CCN(C[C@]2(O)CCC[NH2+]C2)CC1)CC(C)C ZINC001573770963 1403517783 /nfs/dbraw/zinc/51/77/83/1403517783.db2.gz JQDOJRRKXVUALJ-IBGZPJMESA-N 2 3 325.541 2.181 20 0 EEADHP CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H](CCC[NH3+])NC(=O)OC(C)(C)C)C2 ZINC001172116593 796891918 /nfs/dbraw/zinc/89/19/18/796891918.db2.gz HYAFZHSHDPBGED-FZKCQIBNSA-N 2 3 340.512 2.181 20 0 EEADHP C[C@H](C[C@H](C)[NH3+])NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000422701414 278217899 /nfs/dbraw/zinc/21/78/99/278217899.db2.gz BXMUHNMHGZFCQR-DLBZAZTESA-N 2 3 349.519 2.392 20 0 EEADHP C[C@H](C[C@H](C)[NH3+])NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000422701414 278217900 /nfs/dbraw/zinc/21/79/00/278217900.db2.gz BXMUHNMHGZFCQR-DLBZAZTESA-N 2 3 349.519 2.392 20 0 EEADHP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000422833917 466684249 /nfs/dbraw/zinc/68/42/49/466684249.db2.gz NBKWOYOEXLQFAS-QKYXUNIQSA-N 2 3 327.472 2.316 20 0 EEADHP CC[NH+](CC)CCOc1ccc(CN[C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])cc1 ZINC000422887012 535553644 /nfs/dbraw/zinc/55/36/44/535553644.db2.gz ALRQYOQPGXXTRM-LSTHTHJFSA-N 2 3 349.519 2.249 20 0 EEADHP CC[NH+](CC)CCOc1ccc(CN[C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])cc1 ZINC000422887213 535554164 /nfs/dbraw/zinc/55/41/64/535554164.db2.gz ALRQYOQPGXXTRM-NSISKUIASA-N 2 3 349.519 2.249 20 0 EEADHP COCC[N@H+](C)CCCC1CCN(C[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000904327039 694361274 /nfs/dbraw/zinc/36/12/74/694361274.db2.gz XSYCBPIIMYLYNT-IBGZPJMESA-N 2 3 325.541 2.447 20 0 EEADHP COCC[N@@H+](C)CCCC1CCN(C[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000904327039 694361280 /nfs/dbraw/zinc/36/12/80/694361280.db2.gz XSYCBPIIMYLYNT-IBGZPJMESA-N 2 3 325.541 2.447 20 0 EEADHP COCC[N@H+](C)CCCC1CC[NH+](C[C@@]2(C)CCCNC2)CC1 ZINC000904327039 694361283 /nfs/dbraw/zinc/36/12/83/694361283.db2.gz XSYCBPIIMYLYNT-IBGZPJMESA-N 2 3 325.541 2.447 20 0 EEADHP COCC[N@@H+](C)CCCC1CC[NH+](C[C@@]2(C)CCCNC2)CC1 ZINC000904327039 694361291 /nfs/dbraw/zinc/36/12/91/694361291.db2.gz XSYCBPIIMYLYNT-IBGZPJMESA-N 2 3 325.541 2.447 20 0 EEADHP CCN1CCC[C@H]1CNC(=[NH2+])NCC1CC[NH+](CCC(C)C)CC1 ZINC000079918160 1210746253 /nfs/dbraw/zinc/74/62/53/1210746253.db2.gz KHDHRQKACUXYHZ-SFHVURJKSA-N 2 3 337.556 2.133 20 0 EEADHP C[C@@H]1CC[N@H+](CC2(O)CCN(Cc3ccccc3)CC2)CC[C@H]1C[NH3+] ZINC001246023374 1310213097 /nfs/dbraw/zinc/21/30/97/1310213097.db2.gz PPZYNUMIEAUXMB-QUCCMNQESA-N 2 3 345.531 2.320 20 0 EEADHP C[C@@H]1CC[N@@H+](CC2(O)CCN(Cc3ccccc3)CC2)CC[C@H]1C[NH3+] ZINC001246023374 1310213100 /nfs/dbraw/zinc/21/31/00/1310213100.db2.gz PPZYNUMIEAUXMB-QUCCMNQESA-N 2 3 345.531 2.320 20 0 EEADHP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@H]([NH+]3CCN(CC4CC4)CC3)CC2)CN1 ZINC001246292121 1310274433 /nfs/dbraw/zinc/27/44/33/1310274433.db2.gz KDBAOHVBZBFIKM-RSPOEFSDSA-N 2 3 334.552 2.055 20 0 EEADHP C[NH+](C)CC1CC[NH+](CC2(O)CCN(Cc3ccccc3)CC2)CC1 ZINC001254036256 1317988266 /nfs/dbraw/zinc/98/82/66/1317988266.db2.gz GYVFTUVIAVGMNM-UHFFFAOYSA-N 2 3 345.531 2.287 20 0 EEADHP CN1CCC[C@@H]([NH2+][C@H]2CC[C@H]([NH+]3CCN(CC4CC4)CC3)CC2)CC1 ZINC001254506867 1318089414 /nfs/dbraw/zinc/08/94/14/1318089414.db2.gz BUTFATHRDDSZKE-NJDAHSKKSA-N 2 3 348.579 2.399 20 0 EEADHP C[NH+](C)Cc1ccc(C[NH2+]C2CCC(N3CCOCC3)CC2)cc1 ZINC001256677700 1318824129 /nfs/dbraw/zinc/82/41/29/1318824129.db2.gz HFCCLBLYGGHXGE-UHFFFAOYSA-N 2 3 331.504 2.481 20 0 EEADHP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N(C)CCN(C)Cc1ccccc1 ZINC001161161051 1320405251 /nfs/dbraw/zinc/40/52/51/1320405251.db2.gz LIIVIGFEHBDJMF-IBGZPJMESA-N 2 3 348.535 2.072 20 0 EEADHP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000923324510 789383546 /nfs/dbraw/zinc/38/35/46/789383546.db2.gz WSINPVNUHQADEW-YTDWZJOKSA-N 2 3 348.579 2.398 20 0 EEADHP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000923324510 789383555 /nfs/dbraw/zinc/38/35/55/789383555.db2.gz WSINPVNUHQADEW-YTDWZJOKSA-N 2 3 348.579 2.398 20 0 EEADHP CC1(C)[C@@H]2NCCC[C@H]2[C@H]1[NH2+]C1CCC(C)([NH+]2CCOCC2)CC1 ZINC001551381842 1124408158 /nfs/dbraw/zinc/40/81/58/1124408158.db2.gz YRNSPWFRYHFRES-SYJBPTKTSA-N 2 3 335.536 2.386 20 0 EEADHP C[C@@H]1CC[NH2+]CC[C@@H]1NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000423034476 240338235 /nfs/dbraw/zinc/33/82/35/240338235.db2.gz QGYUPWDIZYQSRM-UXPWSPDFSA-N 2 3 331.504 2.121 20 0 EEADHP C[C@@H]1CC[NH2+]CC[C@@H]1NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000423034476 240338239 /nfs/dbraw/zinc/33/82/39/240338239.db2.gz QGYUPWDIZYQSRM-UXPWSPDFSA-N 2 3 331.504 2.121 20 0 EEADHP CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)CC1 ZINC000662293713 472058616 /nfs/dbraw/zinc/05/86/16/472058616.db2.gz MLKZYNJJRCWVKH-HXUWFJFHSA-N 2 3 336.568 2.114 20 0 EEADHP CC(C)N1CCN(CCC[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)CC1 ZINC000662293713 472058622 /nfs/dbraw/zinc/05/86/22/472058622.db2.gz MLKZYNJJRCWVKH-HXUWFJFHSA-N 2 3 336.568 2.114 20 0 EEADHP C[N@@H+]1CC[C@H](NCc2ccc(CN3CC[NH2+]CC3)cc2)[C@@H]2CCC[C@H]21 ZINC000925816118 1206157197 /nfs/dbraw/zinc/15/71/97/1206157197.db2.gz FUPGPFNFMYVNRK-PCCBWWKXSA-N 2 3 342.531 2.054 20 0 EEADHP C[N@H+]1CC[C@H](NCc2ccc(CN3CC[NH2+]CC3)cc2)[C@@H]2CCC[C@H]21 ZINC000925816118 1206157199 /nfs/dbraw/zinc/15/71/99/1206157199.db2.gz FUPGPFNFMYVNRK-PCCBWWKXSA-N 2 3 342.531 2.054 20 0 EEADHP C[C@@H]1C[C@H](N2CCN(CCCC[NH3+])CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256538909 1318771254 /nfs/dbraw/zinc/77/12/54/1318771254.db2.gz VXPWGWBRGSXLSG-TZIWHRDSSA-N 2 3 344.547 2.396 20 0 EEADHP C[C@@H]1C[C@H](N2CCN(CCCC[NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC001256538909 1318771263 /nfs/dbraw/zinc/77/12/63/1318771263.db2.gz VXPWGWBRGSXLSG-TZIWHRDSSA-N 2 3 344.547 2.396 20 0 EEADHP C[n+]1cccc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)c1 ZINC001170528208 812271150 /nfs/dbraw/zinc/27/11/50/812271150.db2.gz FUNAKSCHMXBCPM-UHFFFAOYSA-N 2 3 335.475 2.421 20 0 EEADHP CCN1CCN(Cc2ccc(C[NH2+][C@@H](C)CCCC[NH3+])cc2)CC1 ZINC000422891621 240277882 /nfs/dbraw/zinc/27/78/82/240277882.db2.gz KYCOYXRYDHSXBS-SFHVURJKSA-N 2 3 332.536 2.431 20 0 EEADHP c1cc(N2CCNCC2)cc(N[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)[nH+]1 ZINC000635008942 470399774 /nfs/dbraw/zinc/39/97/74/470399774.db2.gz FORGQMWLFRHCOT-OKZBNKHCSA-N 2 3 329.492 2.214 20 0 EEADHP Fc1ccc([C@@H]2CCNC[C@@H]2C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647546959 470928744 /nfs/dbraw/zinc/92/87/44/470928744.db2.gz ILILXWQECBVSRQ-DSJDWBEOSA-N 2 3 331.479 2.497 20 0 EEADHP C[C@@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)C1CC[NH+](C)CC1 ZINC000126751352 490659170 /nfs/dbraw/zinc/65/91/70/490659170.db2.gz DQPOSBVLYYJYOO-GOSISDBHSA-N 2 3 344.547 2.254 20 0 EEADHP CC(C)(C)[C@H]1C[C@@H](NCC2(c3ccccn3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246429072 1310309456 /nfs/dbraw/zinc/30/94/56/1310309456.db2.gz RKOYMWGVPAZEKK-FUHWJXTLSA-N 2 3 330.520 2.459 20 0 EEADHP Cc1cc(F)ccc1[C@H]1C[C@H](N2CCC3(CC2)C[NH2+]CCO3)CC[NH2+]1 ZINC001246605107 1310355472 /nfs/dbraw/zinc/35/54/72/1310355472.db2.gz SPINMWCBZHLRLG-IEBWSBKVSA-N 2 3 347.478 2.382 20 0 EEADHP C[C@H]([NH2+]Cc1cccc(CN2CCN(C)CC2)c1)C1CC[NH+](C)CC1 ZINC001319205836 1332665197 /nfs/dbraw/zinc/66/51/97/1332665197.db2.gz FMPNOHMTDXAQJJ-SFHVURJKSA-N 2 3 344.547 2.254 20 0 EEADHP N[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000580062858 468458684 /nfs/dbraw/zinc/45/86/84/468458684.db2.gz VFZLIZFIOKIDKS-XUVXKRRUSA-N 2 3 331.504 2.393 20 0 EEADHP N[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000580062858 468458688 /nfs/dbraw/zinc/45/86/88/468458688.db2.gz VFZLIZFIOKIDKS-XUVXKRRUSA-N 2 3 331.504 2.393 20 0 EEADHP CN(C)CCC[NH+]1CCC2(CC[N@H+](Cc3cccc(=O)[nH]3)C2)CC1 ZINC001278049545 1305790319 /nfs/dbraw/zinc/79/03/19/1305790319.db2.gz NCJNLUUIVZKUCM-UHFFFAOYSA-N 2 3 332.492 2.027 20 0 EEADHP CN(C)CCC[NH+]1CCC2(CC[N@@H+](Cc3cccc(=O)[nH]3)C2)CC1 ZINC001278049545 1305790322 /nfs/dbraw/zinc/79/03/22/1305790322.db2.gz NCJNLUUIVZKUCM-UHFFFAOYSA-N 2 3 332.492 2.027 20 0 EEADHP COc1ccc2c(c1)C1(C[C@@H]2N[C@@H]2CCC[NH2+]CC2)CC[NH2+]CC1 ZINC001246127670 1310242024 /nfs/dbraw/zinc/24/20/24/1310242024.db2.gz OVIVUMOWRAGABJ-BEFAXECRSA-N 2 3 329.488 2.493 20 0 EEADHP c1ccc(C[C@@H]2C[C@H]([NH2+][C@H]3CCOC4(CC[NH2+]CC4)C3)CCN2)cc1 ZINC001246253131 1310268171 /nfs/dbraw/zinc/26/81/71/1310268171.db2.gz CAFQCQGWCVOKOR-HSALFYBXSA-N 2 3 343.515 2.241 20 0 EEADHP [NH3+]C1CCN(c2cccc(NCc3ccc4c(c3)CC[NH2+]C4)n2)CC1 ZINC001155268461 1317531801 /nfs/dbraw/zinc/53/18/01/1317531801.db2.gz OXWYHLXSXAYJKW-UHFFFAOYSA-N 2 3 337.471 2.267 20 0 EEADHP C([NH2+]C1CCC(N2CCOCC2)CC1)C1CC[NH+](C2CCC2)CC1 ZINC001256681193 1318828565 /nfs/dbraw/zinc/82/85/65/1318828565.db2.gz NVEDMKRRGQXDND-UHFFFAOYSA-N 2 3 335.536 2.484 20 0 EEADHP C[C@H]([NH2+]Cc1ccc(CN2CCC(O)CC2)cc1)C1CC[NH+](C)CC1 ZINC000132825830 539423296 /nfs/dbraw/zinc/42/32/96/539423296.db2.gz NTECZJNXKOSUFZ-KRWDZBQOSA-N 2 3 345.531 2.463 20 0 EEADHP c1ccc(CN2CC[C@H](C[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000423089010 240361159 /nfs/dbraw/zinc/36/11/59/240361159.db2.gz UFUQUDAJSLAIAQ-MXEMCNAFSA-N 2 3 343.515 2.255 20 0 EEADHP c1cc(CN2CC[NH2+]CC2)ccc1CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000925819025 1206157544 /nfs/dbraw/zinc/15/75/44/1206157544.db2.gz XIBCJVDIVQTCHE-PCCBWWKXSA-N 2 3 342.531 2.102 20 0 EEADHP c1nc(C[NH2+]C2CCCC2)c2n1CCCN(CC1CC[NH2+]CC1)C2 ZINC001235646734 1305312027 /nfs/dbraw/zinc/31/20/27/1305312027.db2.gz TUGUSDRPQITBFY-UHFFFAOYSA-N 2 3 331.508 2.121 20 0 EEADHP CC[NH+](CC)CCN(CC[NH+](CC)CC)Cc1ccc2n1CCNC2 ZINC001235963196 1305458119 /nfs/dbraw/zinc/45/81/19/1305458119.db2.gz RPLDIJXFMBWGKU-UHFFFAOYSA-N 2 3 349.567 2.077 20 0 EEADHP CCN(CC)C[C@@H](O)C[NH2+][C@H](c1cccc(F)c1)C1CC[NH2+]CC1 ZINC001245997225 1310204463 /nfs/dbraw/zinc/20/44/63/1310204463.db2.gz BSEZAEXNTYWYPS-OALUTQOASA-N 2 3 337.483 2.159 20 0 EEADHP c1ccc(C[C@@H]2C[C@@H]([NH2+]C[C@H]3CCC4(CC[NH2+]CC4)O3)CCN2)cc1 ZINC001246134126 1310244107 /nfs/dbraw/zinc/24/41/07/1310244107.db2.gz LTZJCRJXXMHSOQ-XUVXKRRUSA-N 2 3 343.515 2.241 20 0 EEADHP COc1cccc(CC2([NH2+]C3CCC4(C[NH2+]C4)CC3)CCNCC2)c1 ZINC001246377306 1310294031 /nfs/dbraw/zinc/29/40/31/1310294031.db2.gz JAHYMGASXDEYQX-UHFFFAOYSA-N 2 3 343.515 2.482 20 0 EEADHP c1ccc(CC2(C[NH2+][C@H]3CCNC4(CCC4)C3)CC[NH2+]CC2)nc1 ZINC001246419854 1310305359 /nfs/dbraw/zinc/30/53/59/1310305359.db2.gz HLMCBJSHRFKPSM-SFHVURJKSA-N 2 3 328.504 2.258 20 0 EEADHP COc1ccccc1C1(C[NH2+]C2C[C@@H](C)N[C@H](C)C2)CC[NH2+]CC1 ZINC001246415903 1310305391 /nfs/dbraw/zinc/30/53/91/1310305391.db2.gz NERFVOUBIZLYFJ-HZPDHXFCSA-N 2 3 331.504 2.435 20 0 EEADHP CN1CCC([N@H+](C2CCNCC2)C2CCC3(CC[NH2+]C3)CC2)CC1 ZINC001246995219 1310495489 /nfs/dbraw/zinc/49/54/89/1310495489.db2.gz SFMUABPFBMIKCP-UHFFFAOYSA-N 2 3 334.552 2.057 20 0 EEADHP CN1CCC([N@@H+](C2CCNCC2)C2CCC3(CC[NH2+]C3)CC2)CC1 ZINC001246995219 1310495495 /nfs/dbraw/zinc/49/54/95/1310495495.db2.gz SFMUABPFBMIKCP-UHFFFAOYSA-N 2 3 334.552 2.057 20 0 EEADHP C[C@@]1(C[NH3+])CCCCN(Cc2cccc(CN3CC[NH2+]CC3)c2)C1 ZINC001206554529 1323531978 /nfs/dbraw/zinc/53/19/78/1323531978.db2.gz DWRKRTBRSBHCJA-FQEVSTJZSA-N 2 3 330.520 2.043 20 0 EEADHP C[N@@H+]1CCC[C@@H](CN[C@@]23CC[C@@]([NH2+]CCn4ccnc4)(C2)CCC3)C1 ZINC001276498195 1323633854 /nfs/dbraw/zinc/63/38/54/1323633854.db2.gz SJYMDBRXBRUWSM-ZCNNSNEGSA-N 2 3 345.535 2.250 20 0 EEADHP C[N@H+]1CCC[C@@H](CN[C@@]23CC[C@@]([NH2+]CCn4ccnc4)(C2)CCC3)C1 ZINC001276498195 1323633858 /nfs/dbraw/zinc/63/38/58/1323633858.db2.gz SJYMDBRXBRUWSM-ZCNNSNEGSA-N 2 3 345.535 2.250 20 0 EEADHP CN1CCC[C@@H](C[NH2+][C@@]23CC[C@@]([NH2+]CCn4ccnc4)(C2)CCC3)C1 ZINC001276498195 1323633865 /nfs/dbraw/zinc/63/38/65/1323633865.db2.gz SJYMDBRXBRUWSM-ZCNNSNEGSA-N 2 3 345.535 2.250 20 0 EEADHP c1cc(N2CCNCC2)cc(N[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)[nH+]1 ZINC000635008924 470399965 /nfs/dbraw/zinc/39/99/65/470399965.db2.gz FORGQMWLFRHCOT-FGTMMUONSA-N 2 3 329.492 2.214 20 0 EEADHP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3cccc4c3CCNC4)C2)C1 ZINC000662283575 472056502 /nfs/dbraw/zinc/05/65/02/472056502.db2.gz AUHARQAXDNHSCJ-NSHGMRRFSA-N 2 3 329.488 2.051 20 0 EEADHP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3cccc4c3CCNC4)C2)C1 ZINC000662283575 472056506 /nfs/dbraw/zinc/05/65/06/472056506.db2.gz AUHARQAXDNHSCJ-NSHGMRRFSA-N 2 3 329.488 2.051 20 0 EEADHP CC1([NH+]2CCCC2)CCC(NCc2cnnn2[C@H]2CCC[NH2+]C2)CC1 ZINC000903986701 1242880575 /nfs/dbraw/zinc/88/05/75/1242880575.db2.gz PUOHCGYEJGCWMX-HFCFLWKCSA-N 2 3 346.523 2.089 20 0 EEADHP COc1ccccc1CC1(C[NH2+][C@@H]2CCN[C@@H](C)C2)CC[NH2+]CC1 ZINC001246419275 1310305410 /nfs/dbraw/zinc/30/54/10/1310305410.db2.gz GXQCALCOMGFKTD-FUHWJXTLSA-N 2 3 331.504 2.338 20 0 EEADHP c1cncc(CC2([NH2+][C@H]3CCC[C@]4(CC[NH2+]C4)C3)CCNCC2)c1 ZINC001246418028 1310306372 /nfs/dbraw/zinc/30/63/72/1310306372.db2.gz APMNNRYTZRZYJB-OALUTQOASA-N 2 3 328.504 2.258 20 0 EEADHP CC(C)(C)[C@H]1C[C@H](NCC2(c3cccnc3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246423142 1310307808 /nfs/dbraw/zinc/30/78/08/1310307808.db2.gz MRKIXOBXUZMYJX-QZTJIDSGSA-N 2 3 330.520 2.459 20 0 EEADHP C[C@@H]1C[C@@H]([NH+]2CCN(CCC[NH3+])CC2)CCN1Cc1ccccc1 ZINC001256529424 1318766079 /nfs/dbraw/zinc/76/60/79/1318766079.db2.gz BVQFJKOPHZEJAZ-QUCCMNQESA-N 2 3 330.520 2.006 20 0 EEADHP C[NH+](C)CCN1CCN(CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001207286740 1323926534 /nfs/dbraw/zinc/92/65/34/1323926534.db2.gz LGOCFBUKBWPERF-UHFFFAOYSA-N 2 3 344.547 2.078 20 0 EEADHP CCN1CCN(c2ccccc2C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000414988836 285339284 /nfs/dbraw/zinc/33/92/84/285339284.db2.gz GJWNXJGIICATOF-IEBWSBKVSA-N 2 3 330.520 2.436 20 0 EEADHP CN(c1ccccc1CN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)C1CC[NH+](C)CC1 ZINC000435392003 467465711 /nfs/dbraw/zinc/46/57/11/467465711.db2.gz VGXSLSFRSSDBBE-PWIZWCRZSA-N 2 3 342.531 2.386 20 0 EEADHP C[C@@H](C[C@H]1CCC[NH2+]1)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000415126269 467496168 /nfs/dbraw/zinc/49/61/68/467496168.db2.gz GFQAOBNLFRRWGM-PKOBYXMFSA-N 2 3 330.520 2.100 20 0 EEADHP COc1ccc([C@@H](C[NH3+])CN2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662294721 472058234 /nfs/dbraw/zinc/05/82/34/472058234.db2.gz SFCWHPOHGIWHLJ-MOPGFXCFSA-N 2 3 331.504 2.449 20 0 EEADHP Cc1ccc2c(c1)[C@H]([NH3+])CCCN2C(=O)[C@@H](N)CCCC[NH+](C)C ZINC001220384286 1298385323 /nfs/dbraw/zinc/38/53/23/1298385323.db2.gz NZCBVYJERYJNBU-SJORKVTESA-N 2 3 332.492 2.181 20 0 EEADHP CC[C@H]1C[C@@H]([NH2+]CC2(c3ccc(OC)cc3)CC[NH2+]CC2)CCN1 ZINC001246414199 1310304649 /nfs/dbraw/zinc/30/46/49/1310304649.db2.gz HUVRSONENPXUMI-ROUUACIJSA-N 2 3 331.504 2.437 20 0 EEADHP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@H]2CCCN(C(C)C)C2)CC[NH2+]CC1 ZINC000422735553 240199736 /nfs/dbraw/zinc/19/97/36/240199736.db2.gz FEXVRIFKWUZMTF-SJORKVTESA-N 2 3 339.524 2.018 20 0 EEADHP C[C@H]1CC[NH2+]CC[C@@H]1NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000422840581 240255795 /nfs/dbraw/zinc/25/57/95/240255795.db2.gz UAHRYZBQKWXBEJ-JXFKEZNVSA-N 2 3 331.504 2.121 20 0 EEADHP C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000422904512 240284811 /nfs/dbraw/zinc/28/48/11/240284811.db2.gz QHWWLWSMPZJLHH-PWIZWCRZSA-N 2 3 331.504 2.241 20 0 EEADHP C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000422904513 240285800 /nfs/dbraw/zinc/28/58/00/240285800.db2.gz QHWWLWSMPZJLHH-VDGAXYAQSA-N 2 3 331.504 2.241 20 0 EEADHP N[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000580062856 468458583 /nfs/dbraw/zinc/45/85/83/468458583.db2.gz VFZLIZFIOKIDKS-AQNXPRMDSA-N 2 3 331.504 2.393 20 0 EEADHP N[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000580062856 468458588 /nfs/dbraw/zinc/45/85/88/468458588.db2.gz VFZLIZFIOKIDKS-AQNXPRMDSA-N 2 3 331.504 2.393 20 0 EEADHP [NH3+]C[C@@]1(F)CCC[N@H+](CC2(O)CCN(Cc3ccccc3)CC2)CC1 ZINC001246018619 1310211857 /nfs/dbraw/zinc/21/18/57/1310211857.db2.gz FXTXUVFYHFPTLY-LJQANCHMSA-N 2 3 349.494 2.166 20 0 EEADHP [NH3+]C[C@@]1(F)CCC[N@@H+](CC2(O)CCN(Cc3ccccc3)CC2)CC1 ZINC001246018619 1310211862 /nfs/dbraw/zinc/21/18/62/1310211862.db2.gz FXTXUVFYHFPTLY-LJQANCHMSA-N 2 3 349.494 2.166 20 0 EEADHP CCCC[C@@H]1C[C@H](N[C@H](CC(=O)OCC)C2CC[NH2+]CC2)CC[NH2+]1 ZINC001246231661 1310263421 /nfs/dbraw/zinc/26/34/21/1310263421.db2.gz WAQKOXNEDQCFCH-KZNAEPCWSA-N 2 3 339.524 2.208 20 0 EEADHP c1cncc(CC2(C[NH2+][C@@H]3CCNC4(CCC4)C3)CC[NH2+]CC2)c1 ZINC001246416259 1310306201 /nfs/dbraw/zinc/30/62/01/1310306201.db2.gz RVNKFURZQFOADQ-GOSISDBHSA-N 2 3 328.504 2.258 20 0 EEADHP CN1CCC([N@H+](C2CCNCC2)[C@@H]2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC001246995938 1310498567 /nfs/dbraw/zinc/49/85/67/1310498567.db2.gz WBVJLXHPSFCYEF-UXHICEINSA-N 2 3 334.552 2.057 20 0 EEADHP CN1CCC([N@@H+](C2CCNCC2)[C@@H]2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC001246995938 1310498576 /nfs/dbraw/zinc/49/85/76/1310498576.db2.gz WBVJLXHPSFCYEF-UXHICEINSA-N 2 3 334.552 2.057 20 0 EEADHP C[C@@H]1C[C@H](N2CCN(CCCC[NH3+])CC2)C[N@@H+]1Cc1ccccc1 ZINC001171742473 796735123 /nfs/dbraw/zinc/73/51/23/796735123.db2.gz VQFKFQAPMCWVTE-QUCCMNQESA-N 2 3 330.520 2.006 20 0 EEADHP C[C@@H]1C[C@H](N2CCN(CCCC[NH3+])CC2)C[N@H+]1Cc1ccccc1 ZINC001171742473 796735128 /nfs/dbraw/zinc/73/51/28/796735128.db2.gz VQFKFQAPMCWVTE-QUCCMNQESA-N 2 3 330.520 2.006 20 0 EEADHP COCC[N@H+](C)CCOc1cccc(CN[C@H]2CC[NH2+]CC[C@H]2C)c1 ZINC000422716154 240188751 /nfs/dbraw/zinc/18/87/51/240188751.db2.gz UDMBYRVMRSMBKA-XLIONFOSSA-N 2 3 349.519 2.121 20 0 EEADHP COCC[N@@H+](C)CCOc1cccc(CN[C@H]2CC[NH2+]CC[C@H]2C)c1 ZINC000422716154 240188767 /nfs/dbraw/zinc/18/87/67/240188767.db2.gz UDMBYRVMRSMBKA-XLIONFOSSA-N 2 3 349.519 2.121 20 0 EEADHP CC[NH+](CC)CCO[C@@H]1CCN(Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000566351660 319277513 /nfs/dbraw/zinc/27/75/13/319277513.db2.gz WFWFTOSGVKNWOW-HXUWFJFHSA-N 2 3 331.504 2.265 20 0 EEADHP CC[NH+](CC)CCOCCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423040692 466690710 /nfs/dbraw/zinc/69/07/10/466690710.db2.gz UTZHXAFPWWWPSE-ICSRJNTNSA-N 2 3 347.503 2.190 20 0 EEADHP OC1CCN(Cc2ccc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)cc2)CC1 ZINC000647786779 470984515 /nfs/dbraw/zinc/98/45/15/470984515.db2.gz YNJQPGZPZNTWOC-SLFFLAALSA-N 2 3 343.515 2.121 20 0 EEADHP CC(C)N1CCN(CCC[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000647977686 471034602 /nfs/dbraw/zinc/03/46/02/471034602.db2.gz GEDIUGLUJMQXOA-UXHICEINSA-N 2 3 336.568 2.114 20 0 EEADHP CC(C)N1CCN(CCC[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000647977686 471034603 /nfs/dbraw/zinc/03/46/03/471034603.db2.gz GEDIUGLUJMQXOA-UXHICEINSA-N 2 3 336.568 2.114 20 0 EEADHP C[C@@H]([NH2+]Cc1ccccc1CN1CC[C@H](O)C1)C1CC[NH+](C)CC1 ZINC000679769957 485809931 /nfs/dbraw/zinc/80/99/31/485809931.db2.gz AHCLHXKFXLIRKH-UZLBHIALSA-N 2 3 331.504 2.073 20 0 EEADHP C[C@@]1([NH3+])CCC[N@H+](CC2(O)CCN(Cc3ccccc3)CC2)CC1 ZINC001246020389 1310211070 /nfs/dbraw/zinc/21/10/70/1310211070.db2.gz KZJSNPQQBPFFPF-LJQANCHMSA-N 2 3 331.504 2.217 20 0 EEADHP C[C@@]1([NH3+])CCC[N@@H+](CC2(O)CCN(Cc3ccccc3)CC2)CC1 ZINC001246020389 1310211075 /nfs/dbraw/zinc/21/10/75/1310211075.db2.gz KZJSNPQQBPFFPF-LJQANCHMSA-N 2 3 331.504 2.217 20 0 EEADHP CN(C)C1(CNc2ccnc3[nH]cc(C[NH+](C)C)c32)CC[NH+](C)CC1 ZINC001164213367 1321319821 /nfs/dbraw/zinc/31/98/21/1321319821.db2.gz TZYUZUWWRDOHBV-UHFFFAOYSA-N 2 3 344.507 2.062 20 0 EEADHP CC[NH+]1CCC(CN2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)CC1 ZINC001208596579 1324580160 /nfs/dbraw/zinc/58/01/60/1324580160.db2.gz UMNXRPYUGZVXLM-SFTDATJTSA-N 2 3 349.563 2.399 20 0 EEADHP CC[NH+]1CCC(CN2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COC)CC1 ZINC001208596579 1324580163 /nfs/dbraw/zinc/58/01/63/1324580163.db2.gz UMNXRPYUGZVXLM-SFTDATJTSA-N 2 3 349.563 2.399 20 0 EEADHP CN(C)Cc1ccc(Br)c(NC(=[NH2+])NCCCC[NH3+])c1 ZINC001167884531 779077948 /nfs/dbraw/zinc/07/79/48/779077948.db2.gz WLAUJMIPUZXVDH-UHFFFAOYSA-N 2 3 342.285 2.186 20 0 EEADHP [NH3+]C[C@@H]1CCCC[C@@H]1NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000423029597 240335369 /nfs/dbraw/zinc/33/53/69/240335369.db2.gz IOHWIABDGPBSQR-VDGAXYAQSA-N 2 3 331.504 2.250 20 0 EEADHP [NH3+]C[C@@H]1CCCC[C@@H]1NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000423029597 240335371 /nfs/dbraw/zinc/33/53/71/240335371.db2.gz IOHWIABDGPBSQR-VDGAXYAQSA-N 2 3 331.504 2.250 20 0 EEADHP COCC[N@H+](C)CCOc1cccc(CN[C@@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000422716152 466681489 /nfs/dbraw/zinc/68/14/89/466681489.db2.gz UDMBYRVMRSMBKA-FXAWDEMLSA-N 2 3 349.519 2.121 20 0 EEADHP COCC[N@@H+](C)CCOc1cccc(CN[C@@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000422716152 466681493 /nfs/dbraw/zinc/68/14/93/466681493.db2.gz UDMBYRVMRSMBKA-FXAWDEMLSA-N 2 3 349.519 2.121 20 0 EEADHP CN(C)CCOc1ccc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647786707 470984345 /nfs/dbraw/zinc/98/43/45/470984345.db2.gz WXAJZRZTQPUODI-GBESFXJTSA-N 2 3 331.504 2.147 20 0 EEADHP OC1CCN(Cc2ccccc2C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000647788652 470985003 /nfs/dbraw/zinc/98/50/03/470985003.db2.gz NSUWMGCTMAMEAW-DFQSSKMNSA-N 2 3 343.515 2.121 20 0 EEADHP CCN1CCN(CCC[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)CC1 ZINC000924662187 1206013515 /nfs/dbraw/zinc/01/35/15/1206013515.db2.gz PZWPHLRVEAABSF-GOSISDBHSA-N 2 3 332.536 2.426 20 0 EEADHP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1C[C@@H](O)CN1CCCC1 ZINC000903747048 1241818100 /nfs/dbraw/zinc/81/81/00/1241818100.db2.gz OOOJONVKWWWNTF-ACRUOGEOSA-N 2 3 345.531 2.115 20 0 EEADHP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1C[C@@H](O)CN1CCCC1 ZINC000903747048 1241818105 /nfs/dbraw/zinc/81/81/05/1241818105.db2.gz OOOJONVKWWWNTF-ACRUOGEOSA-N 2 3 345.531 2.115 20 0 EEADHP c1c(C2CCN(C[C@@H]3CCCC[NH2+]C3)CC2)n[nH]c1C1CC[NH2+]CC1 ZINC000903766043 1241875121 /nfs/dbraw/zinc/87/51/21/1241875121.db2.gz NLCHAZGYCONWOM-MRXNPFEDSA-N 2 3 345.535 2.446 20 0 EEADHP N[C@@H](CCC[NH3+])C(=O)Nc1ccc2c(c1)CC[C@@H]([NH+]1CCCC1)CC2 ZINC001219486096 1298040718 /nfs/dbraw/zinc/04/07/18/1298040718.db2.gz AYYPNBVKRXPENA-OALUTQOASA-N 2 3 344.503 2.035 20 0 EEADHP CC(C)(C)[C@@H]1C[C@H](NCC2(c3cccnc3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246423137 1310306843 /nfs/dbraw/zinc/30/68/43/1310306843.db2.gz MRKIXOBXUZMYJX-MSOLQXFVSA-N 2 3 330.520 2.459 20 0 EEADHP c1ccc(CC2([NH2+]C3CCC4(CC3)C[NH2+]CCO4)CCNCC2)cc1 ZINC001246449715 1310313730 /nfs/dbraw/zinc/31/37/30/1310313730.db2.gz CGGGHFWIOXKCHX-UHFFFAOYSA-N 2 3 343.515 2.242 20 0 EEADHP CCOC(=O)C1([C@H](C)[NH2+]C[C@H]2CCCN(C(C)C)C2)CC[NH2+]CC1 ZINC000422735550 240200262 /nfs/dbraw/zinc/20/02/62/240200262.db2.gz FEXVRIFKWUZMTF-DLBZAZTESA-N 2 3 339.524 2.018 20 0 EEADHP CC[NH+]1CCN(Cc2ccc(CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)CC1 ZINC000422887566 240276947 /nfs/dbraw/zinc/27/69/47/240276947.db2.gz BGOIADNNQRQJIO-WCRBZPEASA-N 2 3 342.531 2.197 20 0 EEADHP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423439972 296626470 /nfs/dbraw/zinc/62/64/70/296626470.db2.gz SQJDRUAONIRFLX-HLNWXESRSA-N 2 3 327.472 2.220 20 0 EEADHP C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000423102348 299000497 /nfs/dbraw/zinc/00/04/97/299000497.db2.gz JZKLQYGVUWUXHQ-BEVDRBHNSA-N 2 3 347.503 2.002 20 0 EEADHP [NH3+][C@@H]1CCO[C@@H](C2CCN(Cc3ccc4c(c3)C[NH2+]CC4)CC2)C1 ZINC000580439758 324064480 /nfs/dbraw/zinc/06/44/80/324064480.db2.gz QKVJWCRJYGKDFF-WOJBJXKFSA-N 2 3 329.488 2.051 20 0 EEADHP COc1ccc([C@H](C[NH3+])CN2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662294730 472058848 /nfs/dbraw/zinc/05/88/48/472058848.db2.gz SFCWHPOHGIWHLJ-RTBURBONSA-N 2 3 331.504 2.449 20 0 EEADHP CC(C)[C@@H](CN)C[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000718002008 1277773318 /nfs/dbraw/zinc/77/33/18/1277773318.db2.gz QBTPXKDPGLYNQB-IBGZPJMESA-N 2 3 333.520 2.224 20 0 EEADHP CC(C)[C@H](CN)C[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000718002011 1277773575 /nfs/dbraw/zinc/77/35/75/1277773575.db2.gz QBTPXKDPGLYNQB-LJQANCHMSA-N 2 3 333.520 2.224 20 0 EEADHP c1cc2n(c1CN1Cc3ccccc3C3(CC[NH2+]CC3)C1)CC[NH2+]C2 ZINC001235975546 1305464659 /nfs/dbraw/zinc/46/46/59/1305464659.db2.gz XIDSJGQSZZONNL-UHFFFAOYSA-N 2 3 336.483 2.228 20 0 EEADHP CC(C)C[NH+]1CCC(N2CCN(CC3CC[NH+](C)CC3)CC2)CC1 ZINC001258018931 1319131896 /nfs/dbraw/zinc/13/18/96/1319131896.db2.gz WMFDGWCPJHNDKH-UHFFFAOYSA-N 2 3 336.568 2.066 20 0 EEADHP CN1CCC[C@@]2(CC[N@H+](CCCN3CC[C@]4(C3)CCC[NH+](C)C4)C2)C1 ZINC000815146277 1367821680 /nfs/dbraw/zinc/82/16/80/1367821680.db2.gz PMUGEGRJSOMJIU-NHCUHLMSSA-N 2 3 348.579 2.212 20 0 EEADHP CN1CCC[C@@]2(CC[N@@H+](CCCN3CC[C@]4(C3)CCC[NH+](C)C4)C2)C1 ZINC000815146277 1367821682 /nfs/dbraw/zinc/82/16/82/1367821682.db2.gz PMUGEGRJSOMJIU-NHCUHLMSSA-N 2 3 348.579 2.212 20 0 EEADHP CN1CCC[C@@]2(CC[NH+](CCCN3CC[C@]4(C3)CCC[N@H+](C)C4)C2)C1 ZINC000815146277 1367821684 /nfs/dbraw/zinc/82/16/84/1367821684.db2.gz PMUGEGRJSOMJIU-NHCUHLMSSA-N 2 3 348.579 2.212 20 0 EEADHP CN1CCC[C@@]2(CC[NH+](CCCN3CC[C@]4(C3)CCC[N@@H+](C)C4)C2)C1 ZINC000815146277 1367821686 /nfs/dbraw/zinc/82/16/86/1367821686.db2.gz PMUGEGRJSOMJIU-NHCUHLMSSA-N 2 3 348.579 2.212 20 0 EEADHP CCOC(=O)C1([C@@H](C)NC2CC[NH+](C(C)(C)C)CC2)CC[NH2+]CC1 ZINC000422988298 466689317 /nfs/dbraw/zinc/68/93/17/466689317.db2.gz KEVVTOIYYDRJIA-OAHLLOKOSA-N 2 3 339.524 2.160 20 0 EEADHP C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cccc(C[NH+](C)C)c1 ZINC000926358430 676906844 /nfs/dbraw/zinc/90/68/44/676906844.db2.gz ZBBUNPJLCZKYKR-QGZVFWFLSA-N 2 3 332.536 2.425 20 0 EEADHP [NH3+]C12CC(CN3CCCn4cnc(C[NH2+]C5CCCC5)c4C3)(C1)C2 ZINC001235645980 1305312153 /nfs/dbraw/zinc/31/21/53/1305312153.db2.gz MASRDYZBMZRXRP-UHFFFAOYSA-N 2 3 329.492 2.002 20 0 EEADHP COc1ccc(CC2([NH2+][C@H]3CCC4(C[NH2+]C4)C3)CCNCC2)cc1 ZINC001246379335 1310294058 /nfs/dbraw/zinc/29/40/58/1310294058.db2.gz XPDMZJLFQZWZGV-KRWDZBQOSA-N 2 3 329.488 2.092 20 0 EEADHP CCOC(=O)CC1(N)CC[NH+]([C@H](C)CCC[NH+](CC)CC)CC1 ZINC001258907523 1319371089 /nfs/dbraw/zinc/37/10/89/1319371089.db2.gz SMJNGGSQQFBVOM-MRXNPFEDSA-N 2 3 327.513 2.243 20 0 EEADHP CCOC(=O)CC1([NH3+])CCN([C@H](C)CCC[NH+](CC)CC)CC1 ZINC001258907523 1319371099 /nfs/dbraw/zinc/37/10/99/1319371099.db2.gz SMJNGGSQQFBVOM-MRXNPFEDSA-N 2 3 327.513 2.243 20 0 EEADHP C[C@@H]1CN(Cc2ccc(C[N@H+](C)C[C@H]3CC[NH2+]C3)cc2)C[C@H](C)O1 ZINC001579489676 1344389419 /nfs/dbraw/zinc/38/94/19/1344389419.db2.gz RLPSAOUBYBFABM-QKLQHJQFSA-N 2 3 331.504 2.337 20 0 EEADHP C[C@@H]1CN(Cc2ccc(C[N@@H+](C)C[C@H]3CC[NH2+]C3)cc2)C[C@H](C)O1 ZINC001579489676 1344389423 /nfs/dbraw/zinc/38/94/23/1344389423.db2.gz RLPSAOUBYBFABM-QKLQHJQFSA-N 2 3 331.504 2.337 20 0 EEADHP COc1ccc([C@H](C[NH3+])CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647977429 471034699 /nfs/dbraw/zinc/03/46/99/471034699.db2.gz BDQZAZPWBXZDRX-IPMKNSEASA-N 2 3 331.504 2.449 20 0 EEADHP C([C@@H]1CC2(CO1)CC[NH2+]CC2)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000903756601 1241848124 /nfs/dbraw/zinc/84/81/24/1241848124.db2.gz TUOGCVHYGSCTTD-NEWSRXKRSA-N 2 3 333.520 2.094 20 0 EEADHP C([C@@H]1CC2(CO1)CC[NH2+]CC2)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000903756601 1241848138 /nfs/dbraw/zinc/84/81/38/1241848138.db2.gz TUOGCVHYGSCTTD-NEWSRXKRSA-N 2 3 333.520 2.094 20 0 EEADHP C[NH+](C)CCCOc1ccc(-c2cc(N3CC[NH2+]CC3)ccn2)cc1 ZINC001245339505 1310079373 /nfs/dbraw/zinc/07/93/73/1310079373.db2.gz WJXXUKRIKHTGFT-UHFFFAOYSA-N 2 3 340.471 2.489 20 0 EEADHP C[C@H]1CC[NH2+]CC[C@H]1NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000422840583 240254882 /nfs/dbraw/zinc/25/48/82/240254882.db2.gz UAHRYZBQKWXBEJ-OXJNMPFZSA-N 2 3 331.504 2.121 20 0 EEADHP C[C@@H]1CC[NH2+]CC[C@@H]1NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000422840586 240255179 /nfs/dbraw/zinc/25/51/79/240255179.db2.gz UAHRYZBQKWXBEJ-UZLBHIALSA-N 2 3 331.504 2.121 20 0 EEADHP CC(C)N1CCN(CCC[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)CC1 ZINC000369523670 466735708 /nfs/dbraw/zinc/73/57/08/466735708.db2.gz XDUVPOCOENPJLB-UHFFFAOYSA-N 2 3 336.568 2.210 20 0 EEADHP CC(C)N1CCN(CCC[N@H+]2CCCC3(CC[NH+](C)CC3)C2)CC1 ZINC000369523670 466735712 /nfs/dbraw/zinc/73/57/12/466735712.db2.gz XDUVPOCOENPJLB-UHFFFAOYSA-N 2 3 336.568 2.210 20 0 EEADHP [NH3+]C[C@@H]1CCCC[C@H]1NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000423534016 466769357 /nfs/dbraw/zinc/76/93/57/466769357.db2.gz ZDLPQQCUYJDJRV-RBUKOAKNSA-N 2 3 330.520 2.087 20 0 EEADHP CC(C)(C)[PH+](CCCNC(=O)[C@H]1C[NH2+]CC12CNC2)C(C)(C)C ZINC001221272150 1298740579 /nfs/dbraw/zinc/74/05/79/1298740579.db2.gz XFVVCIIBHABDDV-CQSZACIVSA-N 2 3 341.480 2.381 20 0 EEADHP NC1=CC=C(C2CC[NH+](C3CCC4(CCC[NH2+]C4)CC3)CC2)NC1 ZINC001246497168 1310324485 /nfs/dbraw/zinc/32/44/85/1310324485.db2.gz VXNODVCKYWGFHU-UHFFFAOYSA-N 2 3 330.520 2.341 20 0 EEADHP C[NH+](C)CC1(CN2CCN(CC3CC[NH+](C)CC3)CC2)CCCC1 ZINC001208188314 1324349673 /nfs/dbraw/zinc/34/96/73/1324349673.db2.gz XBENHDWWSIQSDA-UHFFFAOYSA-N 2 3 336.568 2.068 20 0 EEADHP CCC[NH+](CCC)CCCN1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001207400581 761450618 /nfs/dbraw/zinc/45/06/18/761450618.db2.gz GIEADUVBBAYZBR-UHFFFAOYSA-N 2 3 338.584 2.458 20 0 EEADHP C[C@H](NCCc1ccc(OCC[NH+]2C[C@@H](C)[C@H](C)C2)cc1)C1C[NH2+]C1 ZINC000423016703 240328919 /nfs/dbraw/zinc/32/89/19/240328919.db2.gz NEVMIKOOBPSHSW-KURKYZTESA-N 2 3 345.531 2.393 20 0 EEADHP C[C@H]([NH2+]CCc1ccc(OCC[NH+]2C[C@@H](C)[C@H](C)C2)cc1)C1CNC1 ZINC000423016703 240328923 /nfs/dbraw/zinc/32/89/23/240328923.db2.gz NEVMIKOOBPSHSW-KURKYZTESA-N 2 3 345.531 2.393 20 0 EEADHP C[C@@H]1C[N@H+](C)CC[C@@H]1NCc1ccccc1C[NH+]1CCC[C@H]1CO ZINC000359225527 164088454 /nfs/dbraw/zinc/08/84/54/164088454.db2.gz LXKYYHGQBZHJDV-UXPWSPDFSA-N 2 3 331.504 2.073 20 0 EEADHP C[C@@H]1C[N@@H+](C)CC[C@@H]1NCc1ccccc1C[NH+]1CCC[C@H]1CO ZINC000359225527 164088455 /nfs/dbraw/zinc/08/84/55/164088455.db2.gz LXKYYHGQBZHJDV-UXPWSPDFSA-N 2 3 331.504 2.073 20 0 EEADHP C[C@@H]1C[NH+](C)CC[C@@H]1NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000359225527 164088456 /nfs/dbraw/zinc/08/84/56/164088456.db2.gz LXKYYHGQBZHJDV-UXPWSPDFSA-N 2 3 331.504 2.073 20 0 EEADHP C[C@@H]1C[NH+](C)CC[C@@H]1NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000359225527 164088457 /nfs/dbraw/zinc/08/84/57/164088457.db2.gz LXKYYHGQBZHJDV-UXPWSPDFSA-N 2 3 331.504 2.073 20 0 EEADHP CN(C)CCOc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000647545702 470927152 /nfs/dbraw/zinc/92/71/52/470927152.db2.gz GOTORDGSCPOGSS-OALUTQOASA-N 2 3 331.504 2.449 20 0 EEADHP CN(C)CCOc1ccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000647545702 470927157 /nfs/dbraw/zinc/92/71/57/470927157.db2.gz GOTORDGSCPOGSS-OALUTQOASA-N 2 3 331.504 2.449 20 0 EEADHP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1C[C@H](O)CN1CCCC1 ZINC000903747051 1241819378 /nfs/dbraw/zinc/81/93/78/1241819378.db2.gz OOOJONVKWWWNTF-PWRODBHTSA-N 2 3 345.531 2.115 20 0 EEADHP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1C[C@H](O)CN1CCCC1 ZINC000903747051 1241819385 /nfs/dbraw/zinc/81/93/85/1241819385.db2.gz OOOJONVKWWWNTF-PWRODBHTSA-N 2 3 345.531 2.115 20 0 EEADHP C[C@@H]1C[N@H+](CC2(O)CCN(Cc3ccccc3)CC2)CCC[C@H]1C[NH3+] ZINC001246028278 1310214409 /nfs/dbraw/zinc/21/44/09/1310214409.db2.gz JKOBTSNNPAZYRF-QUCCMNQESA-N 2 3 345.531 2.320 20 0 EEADHP C[C@@H]1C[N@@H+](CC2(O)CCN(Cc3ccccc3)CC2)CCC[C@H]1C[NH3+] ZINC001246028278 1310214412 /nfs/dbraw/zinc/21/44/12/1310214412.db2.gz JKOBTSNNPAZYRF-QUCCMNQESA-N 2 3 345.531 2.320 20 0 EEADHP COc1ccc(C2(C[NH2+][C@@H]3C[C@@H](C)N[C@@H](C)C3)CC[NH2+]CC2)cc1 ZINC001246418780 1310305327 /nfs/dbraw/zinc/30/53/27/1310305327.db2.gz PDRRIMBJAROXGK-ALXJQNPVSA-N 2 3 331.504 2.435 20 0 EEADHP C[NH+](C)CCCOc1ccc(CN2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)cc1 ZINC001204264875 1322095370 /nfs/dbraw/zinc/09/53/70/1322095370.db2.gz KPOUSIJYXGHJEL-MOPGFXCFSA-N 2 3 331.504 2.401 20 0 EEADHP C[NH+](C)CCCOc1ccc(CN2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)cc1 ZINC001204264875 1322095378 /nfs/dbraw/zinc/09/53/78/1322095378.db2.gz KPOUSIJYXGHJEL-MOPGFXCFSA-N 2 3 331.504 2.401 20 0 EEADHP CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000849105875 1339145374 /nfs/dbraw/zinc/14/53/74/1339145374.db2.gz GWXMDAGVZBMKST-MSOLQXFVSA-N 2 3 335.540 2.382 20 0 EEADHP CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000849105875 1339145375 /nfs/dbraw/zinc/14/53/75/1339145375.db2.gz GWXMDAGVZBMKST-MSOLQXFVSA-N 2 3 335.540 2.382 20 0 EEADHP c1c(C2CCN(C[C@@H]3CCC[NH2+]C3)CC2)n[nH]c1C1CC[NH2+]CC1 ZINC001771780666 1409948665 /nfs/dbraw/zinc/94/86/65/1409948665.db2.gz BYPNEOOIRJXWTL-OAHLLOKOSA-N 2 3 331.508 2.056 20 0 EEADHP CCO[C@H](CC[NH+](C)C)CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422869082 466685649 /nfs/dbraw/zinc/68/56/49/466685649.db2.gz WCDGVERVFJPVIM-KPFFTGBYSA-N 2 3 347.503 2.189 20 0 EEADHP COCC1(C[NH2+][C@@H](C)c2ccc(OCCN(C)C)cc2)CC[NH2+]CC1 ZINC000423413516 466742845 /nfs/dbraw/zinc/74/28/45/466742845.db2.gz ZHJRXDXSDOCUSN-KRWDZBQOSA-N 2 3 349.519 2.294 20 0 EEADHP c1cc(CN2CC[NH2+]CC2)ccc1CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000925819024 1206157625 /nfs/dbraw/zinc/15/76/25/1206157625.db2.gz XIBCJVDIVQTCHE-NJDAHSKKSA-N 2 3 342.531 2.102 20 0 EEADHP c1cc(CN2CCCCC23CC[NH2+]CC3)cc(N2CC[NH2+]CC2)c1 ZINC001235188849 1305141154 /nfs/dbraw/zinc/14/11/54/1305141154.db2.gz AAXYJHYJFKAABN-UHFFFAOYSA-N 2 3 328.504 2.204 20 0 EEADHP CN(C)CC[N@@H+]1CCC[C@@]2(CCCN(CC(C)(C)C[NH+](C)C)C2)C1 ZINC001276658335 1324990102 /nfs/dbraw/zinc/99/01/02/1324990102.db2.gz KMQQXBKAEXGTMT-HXUWFJFHSA-N 2 3 338.584 2.314 20 0 EEADHP CN(C)CC[N@H+]1CCC[C@@]2(CCCN(CC(C)(C)C[NH+](C)C)C2)C1 ZINC001276658335 1324990107 /nfs/dbraw/zinc/99/01/07/1324990107.db2.gz KMQQXBKAEXGTMT-HXUWFJFHSA-N 2 3 338.584 2.314 20 0 EEADHP N[C@@H](CCC[NH3+])C(=O)Nc1ccc2c(c1)CC[C@H]([NH+]1CCCC1)CC2 ZINC001219486095 1298040180 /nfs/dbraw/zinc/04/01/80/1298040180.db2.gz AYYPNBVKRXPENA-MOPGFXCFSA-N 2 3 344.503 2.035 20 0 EEADHP c1ccc(C[C@@H]2C[C@H]([NH2+]C[C@@H]3CC4(CO3)CC[NH2+]CC4)CCN2)cc1 ZINC001246250491 1310266627 /nfs/dbraw/zinc/26/66/27/1310266627.db2.gz UIUBJNQLUILICZ-AQNXPRMDSA-N 2 3 343.515 2.098 20 0 EEADHP C[C@@H]1CN(CC2CC[NH+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)C[C@@H](C)O1 ZINC001552973450 1125459888 /nfs/dbraw/zinc/45/98/88/1125459888.db2.gz HDUUDJFRDJRJAE-GYMWCJPTSA-N 2 3 335.536 2.338 20 0 EEADHP CC[N@@H+]1C[C@@]2(C[C@@H](N[C@@H]3CC[NH+]4CCC[C@H]4C3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550354939 1121766604 /nfs/dbraw/zinc/76/66/04/1121766604.db2.gz PKXCJSFGRSCFRI-FGSPNWDHSA-N 2 3 335.536 2.073 20 0 EEADHP CC[N@H+]1C[C@@]2(C[C@@H](N[C@@H]3CC[NH+]4CCC[C@H]4C3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550354939 1121766611 /nfs/dbraw/zinc/76/66/11/1121766611.db2.gz PKXCJSFGRSCFRI-FGSPNWDHSA-N 2 3 335.536 2.073 20 0 EEADHP CC[NH+]1C[C@@]2(C[C@@H](N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550354939 1121766617 /nfs/dbraw/zinc/76/66/17/1121766617.db2.gz PKXCJSFGRSCFRI-FGSPNWDHSA-N 2 3 335.536 2.073 20 0 EEADHP CC[NH+]1C[C@@]2(C[C@@H](N[C@@H]3CC[N@H+]4CCC[C@H]4C3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550354939 1121766624 /nfs/dbraw/zinc/76/66/24/1121766624.db2.gz PKXCJSFGRSCFRI-FGSPNWDHSA-N 2 3 335.536 2.073 20 0 EEADHP N[C@@H](Cc1ccccc1)[C@H](O)C[NH+]1CCC(CC2CC[NH2+]CC2)CC1 ZINC001246061177 1310227808 /nfs/dbraw/zinc/22/78/08/1310227808.db2.gz XJKYNPLNRMNORZ-LEWJYISDSA-N 2 3 345.531 2.019 20 0 EEADHP COc1ccccc1C1(C[NH2+]C2C[C@H](C)N[C@@H](C)C2)CC[NH2+]CC1 ZINC001246415902 1310306110 /nfs/dbraw/zinc/30/61/10/1310306110.db2.gz NERFVOUBIZLYFJ-HOTGVXAUSA-N 2 3 331.504 2.435 20 0 EEADHP Cc1[nH+]c(N2CCN(CC3CC[NH+](C)CC3)CC2)cc2[nH]ccc21 ZINC001157842219 1318901840 /nfs/dbraw/zinc/90/18/40/1318901840.db2.gz OXSBNBLFUQXWLM-UHFFFAOYSA-N 2 3 327.476 2.335 20 0 EEADHP CC1(C)[C@@H]2NCCC[C@@H]2[C@@H]1[NH2+]C1CCC(C)([NH+]2CCOCC2)CC1 ZINC001551381844 1124408491 /nfs/dbraw/zinc/40/84/91/1124408491.db2.gz YRNSPWFRYHFRES-VVJOJPPRSA-N 2 3 335.536 2.386 20 0 EEADHP C[NH+](C)CC1CCN(C/C=C/C[NH+]2CCC(C[NH+](C)C)CC2)CC1 ZINC000340178909 465848720 /nfs/dbraw/zinc/84/87/20/465848720.db2.gz DOTOFRZZWYZXKH-AATRIKPKSA-N 3 3 336.568 2.090 20 0 EEADHP N[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000580062857 468459236 /nfs/dbraw/zinc/45/92/36/468459236.db2.gz VFZLIZFIOKIDKS-VAMGGRTRSA-N 2 3 331.504 2.393 20 0 EEADHP N[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000580062857 468459240 /nfs/dbraw/zinc/45/92/40/468459240.db2.gz VFZLIZFIOKIDKS-VAMGGRTRSA-N 2 3 331.504 2.393 20 0 EEADHP c1cncc(CC2([NH2+][C@@H]3CCC[C@]4(CC[NH2+]C4)C3)CCNCC2)c1 ZINC001246418023 1310305795 /nfs/dbraw/zinc/30/57/95/1310305795.db2.gz APMNNRYTZRZYJB-MOPGFXCFSA-N 2 3 328.504 2.258 20 0 EEADHP c1ccc(C[C@@H]2C[C@H]([N@@H+]3CCOCC4(CC[NH2+]CC4)C3)CCN2)cc1 ZINC001246613007 1310356910 /nfs/dbraw/zinc/35/69/10/1310356910.db2.gz KAWFITJKVPUPLY-WOJBJXKFSA-N 2 3 343.515 2.052 20 0 EEADHP c1ccc(C[C@@H]2C[C@H]([N@H+]3CCOCC4(CC[NH2+]CC4)C3)CCN2)cc1 ZINC001246613007 1310356920 /nfs/dbraw/zinc/35/69/20/1310356920.db2.gz KAWFITJKVPUPLY-WOJBJXKFSA-N 2 3 343.515 2.052 20 0 EEADHP c1ccc(C[C@@H]2C[C@H](N3CCOCC4(CC[NH2+]CC4)C3)CC[NH2+]2)cc1 ZINC001246613007 1310356931 /nfs/dbraw/zinc/35/69/31/1310356931.db2.gz KAWFITJKVPUPLY-WOJBJXKFSA-N 2 3 343.515 2.052 20 0 EEADHP CN1CCC[C@H](C[NH+]2CCC3(CC[N@H+](Cc4cn[nH]c4)C3)CC2)C1 ZINC001276496577 1323621062 /nfs/dbraw/zinc/62/10/62/1323621062.db2.gz GNLLTLBREQQLLY-KRWDZBQOSA-N 2 3 331.508 2.039 20 0 EEADHP CN1CCC[C@H](C[NH+]2CCC3(CC[N@@H+](Cc4cn[nH]c4)C3)CC2)C1 ZINC001276496577 1323621068 /nfs/dbraw/zinc/62/10/68/1323621068.db2.gz GNLLTLBREQQLLY-KRWDZBQOSA-N 2 3 331.508 2.039 20 0 EEADHP COc1ccc([C@H](C[NH3+])CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647977427 471034859 /nfs/dbraw/zinc/03/48/59/471034859.db2.gz BDQZAZPWBXZDRX-GBESFXJTSA-N 2 3 331.504 2.449 20 0 EEADHP CN1CC[C@]2(C1)CCC[N@H+](CCCN1CCC[C@@]3(CC[NH+](C)C3)C1)C2 ZINC000660665192 471437827 /nfs/dbraw/zinc/43/78/27/471437827.db2.gz VMKVBCAWZVAFAL-SFTDATJTSA-N 2 3 348.579 2.212 20 0 EEADHP CN1CC[C@]2(C1)CCC[N@@H+](CCCN1CCC[C@@]3(CC[NH+](C)C3)C1)C2 ZINC000660665192 471437834 /nfs/dbraw/zinc/43/78/34/471437834.db2.gz VMKVBCAWZVAFAL-SFTDATJTSA-N 2 3 348.579 2.212 20 0 EEADHP CN1CC[C@]2(C1)CCC[NH+](CCCN1CCC[C@@]3(CC[N@H+](C)C3)C1)C2 ZINC000660665192 471437840 /nfs/dbraw/zinc/43/78/40/471437840.db2.gz VMKVBCAWZVAFAL-SFTDATJTSA-N 2 3 348.579 2.212 20 0 EEADHP CN1CC[C@]2(C1)CCC[NH+](CCCN1CCC[C@@]3(CC[N@@H+](C)C3)C1)C2 ZINC000660665192 471437847 /nfs/dbraw/zinc/43/78/47/471437847.db2.gz VMKVBCAWZVAFAL-SFTDATJTSA-N 2 3 348.579 2.212 20 0 EEADHP C[NH+]1CC[C@]2(C1)CCCN(CCCN1CCC[C@@]3(CC[N@@H+](C)C3)C1)C2 ZINC000660665192 471437854 /nfs/dbraw/zinc/43/78/54/471437854.db2.gz VMKVBCAWZVAFAL-SFTDATJTSA-N 2 3 348.579 2.212 20 0 EEADHP C[NH+]1CC[C@]2(C1)CCCN(CCCN1CCC[C@@]3(CC[N@H+](C)C3)C1)C2 ZINC000660665192 471437857 /nfs/dbraw/zinc/43/78/57/471437857.db2.gz VMKVBCAWZVAFAL-SFTDATJTSA-N 2 3 348.579 2.212 20 0 EEADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1ccc(C2([NH3+])CCC2)cc1 ZINC001218974736 1297887797 /nfs/dbraw/zinc/88/77/97/1297887797.db2.gz ZXMRKPZZVSKSEL-KRWDZBQOSA-N 2 3 332.492 2.459 20 0 EEADHP COC(=O)c1cccc(C[N@H+](CC2CC[NH2+]CC2)C2CCNCC2)c1 ZINC001236463957 1305584564 /nfs/dbraw/zinc/58/45/64/1305584564.db2.gz AJOWBCSWXMXBCK-UHFFFAOYSA-N 2 3 345.487 2.027 20 0 EEADHP COC(=O)c1cccc(C[N@@H+](CC2CC[NH2+]CC2)C2CCNCC2)c1 ZINC001236463957 1305584568 /nfs/dbraw/zinc/58/45/68/1305584568.db2.gz AJOWBCSWXMXBCK-UHFFFAOYSA-N 2 3 345.487 2.027 20 0 EEADHP COC(=O)c1cccc(CN(CC2CC[NH2+]CC2)C2CC[NH2+]CC2)c1 ZINC001236463957 1305584570 /nfs/dbraw/zinc/58/45/70/1305584570.db2.gz AJOWBCSWXMXBCK-UHFFFAOYSA-N 2 3 345.487 2.027 20 0 EEADHP COc1ccc(C2(C[NH2+][C@@H]3CCNC(C)(C)C3)CC[NH2+]CC2)cc1 ZINC001246415973 1310305310 /nfs/dbraw/zinc/30/53/10/1310305310.db2.gz MGUVHMZERYSJPC-QGZVFWFLSA-N 2 3 331.504 2.437 20 0 EEADHP c1ccc(C[C@H]2C[C@@H]([N@@H+]3CCOCC4(CC[NH2+]CC4)C3)CCN2)cc1 ZINC001246613004 1310357363 /nfs/dbraw/zinc/35/73/63/1310357363.db2.gz KAWFITJKVPUPLY-PMACEKPBSA-N 2 3 343.515 2.052 20 0 EEADHP c1ccc(C[C@H]2C[C@@H]([N@H+]3CCOCC4(CC[NH2+]CC4)C3)CCN2)cc1 ZINC001246613004 1310357368 /nfs/dbraw/zinc/35/73/68/1310357368.db2.gz KAWFITJKVPUPLY-PMACEKPBSA-N 2 3 343.515 2.052 20 0 EEADHP c1ccc(C[C@H]2C[C@@H](N3CCOCC4(CC[NH2+]CC4)C3)CC[NH2+]2)cc1 ZINC001246613004 1310357377 /nfs/dbraw/zinc/35/73/77/1310357377.db2.gz KAWFITJKVPUPLY-PMACEKPBSA-N 2 3 343.515 2.052 20 0 EEADHP CC[NH+](CC)CCC[C@H](C)N1CCN(CC[NH+](CC)CC)CC1 ZINC001258908465 1319372045 /nfs/dbraw/zinc/37/20/45/1319372045.db2.gz VVTWAEIPEULRSC-IBGZPJMESA-N 2 3 326.573 2.456 20 0 EEADHP CC1(C)[C@@H]2NCCC[C@@H]2[C@@H]1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC001550474521 1121864600 /nfs/dbraw/zinc/86/46/00/1121864600.db2.gz XMTCXXYZQCCWQR-OTWHNJEPSA-N 2 3 335.536 2.244 20 0 EEADHP C(CN1CC[C@H](C[NH+]2CCCC2)C1)CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000119060613 462870605 /nfs/dbraw/zinc/87/06/05/462870605.db2.gz SFMBPSDQDBULBS-NHCUHLMSSA-N 2 3 348.579 2.212 20 0 EEADHP CC(C)CN(C(=O)[C@@H](N)CCCC[NH2+]C(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001221188335 1298695338 /nfs/dbraw/zinc/69/53/38/1298695338.db2.gz SRSDXENNHRHCGB-BZSNNMDCSA-N 2 3 340.556 2.237 20 0 EEADHP c1ccc([C@]23CC[NH2+]C[C@@H]2CN([C@H]2CSC4(C[NH2+]C4)C2)CC3)cc1 ZINC001246673542 1310377241 /nfs/dbraw/zinc/37/72/41/1310377241.db2.gz PHMGKQDUVKZBFH-QWFCFKBJSA-N 2 3 343.540 2.087 20 0 EEADHP c1ccc([C@]23CCNC[C@@H]2C[N@H+]([C@H]2CSC4(C[NH2+]C4)C2)CC3)cc1 ZINC001246673542 1310377249 /nfs/dbraw/zinc/37/72/49/1310377249.db2.gz PHMGKQDUVKZBFH-QWFCFKBJSA-N 2 3 343.540 2.087 20 0 EEADHP c1ccc([C@]23CCNC[C@@H]2C[N@@H+]([C@H]2CSC4(C[NH2+]C4)C2)CC3)cc1 ZINC001246673542 1310377259 /nfs/dbraw/zinc/37/72/59/1310377259.db2.gz PHMGKQDUVKZBFH-QWFCFKBJSA-N 2 3 343.540 2.087 20 0 EEADHP Cc1cc(F)ccc1C[N@H+](C1CCNCC1)[C@@H]1CCOC2(C[NH2+]C2)C1 ZINC001246960699 1310479193 /nfs/dbraw/zinc/47/91/93/1310479193.db2.gz MHGRZGARCLDAHC-LJQANCHMSA-N 2 3 347.478 2.209 20 0 EEADHP Cc1cc(F)ccc1C[N@@H+](C1CCNCC1)[C@@H]1CCOC2(C[NH2+]C2)C1 ZINC001246960699 1310479198 /nfs/dbraw/zinc/47/91/98/1310479198.db2.gz MHGRZGARCLDAHC-LJQANCHMSA-N 2 3 347.478 2.209 20 0 EEADHP CC[NH+](CC)CCCNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849053213 1373203030 /nfs/dbraw/zinc/20/30/30/1373203030.db2.gz MSIFHEDATPIDRS-UHFFFAOYSA-N 2 3 345.535 2.497 20 0 EEADHP CC1(C)[NH2+]CC[C@H]1NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000925476429 1206117025 /nfs/dbraw/zinc/11/70/25/1206117025.db2.gz BXDRUAJEGLYSQI-HXUWFJFHSA-N 2 3 344.547 2.315 20 0 EEADHP CC(C)C1=NCCc2ccc(C[N@@H+]3CCNC4(CC[NH2+]CC4)C3)cc21 ZINC001222104602 1299356119 /nfs/dbraw/zinc/35/61/19/1299356119.db2.gz IURAINGSSGBMKP-UHFFFAOYSA-N 2 3 340.515 2.215 20 0 EEADHP CC(C)C1=NCCc2ccc(C[N@H+]3CCNC4(CC[NH2+]CC4)C3)cc21 ZINC001222104602 1299356128 /nfs/dbraw/zinc/35/61/28/1299356128.db2.gz IURAINGSSGBMKP-UHFFFAOYSA-N 2 3 340.515 2.215 20 0 EEADHP [NH3+]CCCCN1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001235541069 1305272704 /nfs/dbraw/zinc/27/27/04/1305272704.db2.gz HUQSJFOWEALXPT-UXHICEINSA-N 2 3 335.536 2.186 20 0 EEADHP [NH3+]CCCCN1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001235541069 1305272707 /nfs/dbraw/zinc/27/27/07/1305272707.db2.gz HUQSJFOWEALXPT-UXHICEINSA-N 2 3 335.536 2.186 20 0 EEADHP COc1ccc(C[N@H+]([C@H]2C[C@H]3C[NH2+]C[C@H]3C2)C2CCNCC2)cc1F ZINC001246960918 1310480990 /nfs/dbraw/zinc/48/09/90/1310480990.db2.gz DWBJRVXSSFANBT-ALXJQNPVSA-N 2 3 347.478 2.386 20 0 EEADHP COc1ccc(C[N@@H+]([C@H]2C[C@H]3C[NH2+]C[C@H]3C2)C2CCNCC2)cc1F ZINC001246960918 1310480999 /nfs/dbraw/zinc/48/09/99/1310480999.db2.gz DWBJRVXSSFANBT-ALXJQNPVSA-N 2 3 347.478 2.386 20 0 EEADHP COc1ccc(CN([C@H]2C[C@H]3C[NH2+]C[C@H]3C2)C2CC[NH2+]CC2)cc1F ZINC001246960918 1310481009 /nfs/dbraw/zinc/48/10/09/1310481009.db2.gz DWBJRVXSSFANBT-ALXJQNPVSA-N 2 3 347.478 2.386 20 0 EEADHP Cc1ccc(NC(=O)CCCN2CCC([NH3+])CC2)c(C[NH+](C)C)c1 ZINC000433116329 467294188 /nfs/dbraw/zinc/29/41/88/467294188.db2.gz KQAINNAADWQVQJ-UHFFFAOYSA-N 2 3 332.492 2.198 20 0 EEADHP CCN1CCN(Cc2ccc(C[NH2+]CC3CC[NH+](C)CC3)cc2)CC1 ZINC000892597391 681903738 /nfs/dbraw/zinc/90/37/38/681903738.db2.gz RKDSEYPIFBINFS-UHFFFAOYSA-N 2 3 344.547 2.256 20 0 EEADHP c1ccc(C[NH+]2CCC(CN[C@H]3[C@@H]4[NH2+]C[C@@H]5C[C@H]3C[C@@H]54)CC2)cc1 ZINC000397675381 1255289844 /nfs/dbraw/zinc/28/98/44/1255289844.db2.gz RLUOWILUMLNDFL-ALGQRKQJSA-N 2 3 325.500 2.485 20 0 EEADHP [NH3+]CCCNCCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001246453827 1310314954 /nfs/dbraw/zinc/31/49/54/1310314954.db2.gz PTRHNPUPUOITKL-WKCHPHFGSA-N 2 3 344.547 2.490 20 0 EEADHP CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000849105876 1339145296 /nfs/dbraw/zinc/14/52/96/1339145296.db2.gz GWXMDAGVZBMKST-QZTJIDSGSA-N 2 3 335.540 2.382 20 0 EEADHP CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000849105876 1339145298 /nfs/dbraw/zinc/14/52/98/1339145298.db2.gz GWXMDAGVZBMKST-QZTJIDSGSA-N 2 3 335.540 2.382 20 0 EEADHP CCOC(=O)C1([C@@H](C)[NH2+]CC[C@@H](C)N2CCCCC2)CC[NH2+]CC1 ZINC000423036322 240338420 /nfs/dbraw/zinc/33/84/20/240338420.db2.gz TYAZFFRVAAJUIM-IAGOWNOFSA-N 2 3 339.524 2.162 20 0 EEADHP CCOC(=O)C1([C@@H](C)NCC[C@@H](C)[NH+]2CCCCC2)CC[NH2+]CC1 ZINC000423036322 240338423 /nfs/dbraw/zinc/33/84/23/240338423.db2.gz TYAZFFRVAAJUIM-IAGOWNOFSA-N 2 3 339.524 2.162 20 0 EEADHP CC[C@H]1C[C@@H](NCC2(c3ccccc3OC)CC[NH2+]CC2)CC[NH2+]1 ZINC001246415311 1310303968 /nfs/dbraw/zinc/30/39/68/1310303968.db2.gz LCAIAAAVYLODDK-IRXDYDNUSA-N 2 3 331.504 2.437 20 0 EEADHP CC(C)(C)[NH2+]C[C@@H](O)CNCC1CC[NH+](CC2CCCC2)CC1 ZINC001253410678 1317844746 /nfs/dbraw/zinc/84/47/46/1317844746.db2.gz PUTAIBXBEMJYNN-SFHVURJKSA-N 2 3 325.541 2.227 20 0 EEADHP C[NH+](C)CCOCC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000579369317 468350578 /nfs/dbraw/zinc/35/05/78/468350578.db2.gz LHSCYVDYZMVSFK-VAMGGRTRSA-N 2 3 331.504 2.065 20 0 EEADHP C[C@H]([NH3+])[C@H]1CCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000435375694 467463774 /nfs/dbraw/zinc/46/37/74/467463774.db2.gz NPGRDUSOUAPGRY-IRXDYDNUSA-N 2 3 330.520 2.386 20 0 EEADHP C[N@H+](Cc1ccccc1NC(=O)[C@H](N)CCC[NH3+])C1CCCCC1 ZINC001219023949 1297911700 /nfs/dbraw/zinc/91/17/00/1297911700.db2.gz NNDYBKYJHSOXQV-QGZVFWFLSA-N 2 3 332.492 2.456 20 0 EEADHP C[N@@H+](Cc1ccccc1NC(=O)[C@H](N)CCC[NH3+])C1CCCCC1 ZINC001219023949 1297911706 /nfs/dbraw/zinc/91/17/06/1297911706.db2.gz NNDYBKYJHSOXQV-QGZVFWFLSA-N 2 3 332.492 2.456 20 0 EEADHP COc1ccc2c(c1)C1(C[C@@H]2N[C@H]2CCC[NH2+]CC2)CC[NH2+]CC1 ZINC001246127680 1310241942 /nfs/dbraw/zinc/24/19/42/1310241942.db2.gz OVIVUMOWRAGABJ-KXBFYZLASA-N 2 3 329.488 2.493 20 0 EEADHP Clc1ccc(C[N@H+](C2CCNCC2)[C@@H]2CCOC3(C[NH2+]C3)C2)cc1 ZINC001246945837 1310475068 /nfs/dbraw/zinc/47/50/68/1310475068.db2.gz IXNDYXKDEBBRCZ-GOSISDBHSA-N 2 3 349.906 2.415 20 0 EEADHP Clc1ccc(C[N@@H+](C2CCNCC2)[C@@H]2CCOC3(C[NH2+]C3)C2)cc1 ZINC001246945837 1310475074 /nfs/dbraw/zinc/47/50/74/1310475074.db2.gz IXNDYXKDEBBRCZ-GOSISDBHSA-N 2 3 349.906 2.415 20 0 EEADHP CCN1CCC[C@@H]1CNC(=[NH2+])NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000083052601 783928190 /nfs/dbraw/zinc/92/81/90/783928190.db2.gz CMIHAKRUHULGBV-IEBWSBKVSA-N 2 3 345.535 2.286 20 0 EEADHP CCN1CCC[C@@H]1CNC(=[NH2+])NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000083052601 783928197 /nfs/dbraw/zinc/92/81/97/783928197.db2.gz CMIHAKRUHULGBV-IEBWSBKVSA-N 2 3 345.535 2.286 20 0 EEADHP C[C@H]1C[C@H](N2CCN(CCCC[NH3+])CC2)C[N@@H+]1Cc1ccccc1 ZINC001171742472 796735307 /nfs/dbraw/zinc/73/53/07/796735307.db2.gz VQFKFQAPMCWVTE-ICSRJNTNSA-N 2 3 330.520 2.006 20 0 EEADHP C[C@H]1C[C@H](N2CCN(CCCC[NH3+])CC2)C[N@H+]1Cc1ccccc1 ZINC001171742472 796735310 /nfs/dbraw/zinc/73/53/10/796735310.db2.gz VQFKFQAPMCWVTE-ICSRJNTNSA-N 2 3 330.520 2.006 20 0 EEADHP CC[NH+](CC)CCO[C@@H]1CCN(Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873209281 1198530938 /nfs/dbraw/zinc/53/09/38/1198530938.db2.gz KXQUQOKCLQJGKF-MRXNPFEDSA-N 2 3 337.533 2.327 20 0 EEADHP CN(C)CCC[NH+]1CCC2(CCC[N@H+](CCn3ccnc3)C2)CC1 ZINC001278058856 1305811851 /nfs/dbraw/zinc/81/18/51/1305811851.db2.gz ZCZRDWPUIAREJB-UHFFFAOYSA-N 2 3 333.524 2.013 20 0 EEADHP CN(C)CCC[NH+]1CCC2(CCC[N@@H+](CCn3ccnc3)C2)CC1 ZINC001278058856 1305811863 /nfs/dbraw/zinc/81/18/63/1305811863.db2.gz ZCZRDWPUIAREJB-UHFFFAOYSA-N 2 3 333.524 2.013 20 0 EEADHP c1cncc(CC2(C[NH2+][C@H]3C[C@H]4CCC[C@@H](C3)N4)CC[NH2+]CC2)c1 ZINC001246412613 1310304235 /nfs/dbraw/zinc/30/42/35/1310304235.db2.gz JDRYJERWHDYJIG-BWTSREIZSA-N 2 3 328.504 2.257 20 0 EEADHP c1ccc(C[C@H]2C[C@H]([N@@H+]3CCOCC4(CC[NH2+]CC4)C3)CCN2)cc1 ZINC001246613006 1310357528 /nfs/dbraw/zinc/35/75/28/1310357528.db2.gz KAWFITJKVPUPLY-VQTJNVASSA-N 2 3 343.515 2.052 20 0 EEADHP c1ccc(C[C@H]2C[C@H]([N@H+]3CCOCC4(CC[NH2+]CC4)C3)CCN2)cc1 ZINC001246613006 1310357534 /nfs/dbraw/zinc/35/75/34/1310357534.db2.gz KAWFITJKVPUPLY-VQTJNVASSA-N 2 3 343.515 2.052 20 0 EEADHP c1ccc(C[C@H]2C[C@H](N3CCOCC4(CC[NH2+]CC4)C3)CC[NH2+]2)cc1 ZINC001246613006 1310357540 /nfs/dbraw/zinc/35/75/40/1310357540.db2.gz KAWFITJKVPUPLY-VQTJNVASSA-N 2 3 343.515 2.052 20 0 EEADHP CN1CCC([N@H+]([C@H]2CCC3(C2)CC[NH2+]CC3)C2CCNCC2)CC1 ZINC001246987216 1310492249 /nfs/dbraw/zinc/49/22/49/1310492249.db2.gz DNAXTILEDQEKHE-IBGZPJMESA-N 2 3 334.552 2.057 20 0 EEADHP CN1CCC([N@@H+]([C@H]2CCC3(C2)CC[NH2+]CC3)C2CCNCC2)CC1 ZINC001246987216 1310492255 /nfs/dbraw/zinc/49/22/55/1310492255.db2.gz DNAXTILEDQEKHE-IBGZPJMESA-N 2 3 334.552 2.057 20 0 EEADHP C[NH+]1CCC(CN2CCN(c3cc(N4CCCC4)cc[nH+]3)CC2)CC1 ZINC001157842062 1318901556 /nfs/dbraw/zinc/90/15/56/1318901556.db2.gz LTURKSWMQATBTK-UHFFFAOYSA-N 2 3 343.519 2.146 20 0 EEADHP O[C@@H]1CCC[C@@H]1N1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000422993686 240322356 /nfs/dbraw/zinc/32/23/56/240322356.db2.gz TYPVMNASOSDCBZ-LTFPLMDUSA-N 2 3 335.536 2.265 20 0 EEADHP CCO[C@H](CC[NH+](C)C)CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422869083 466685468 /nfs/dbraw/zinc/68/54/68/466685468.db2.gz WCDGVERVFJPVIM-POAQFYNOSA-N 2 3 347.503 2.189 20 0 EEADHP CC1(C)C[C@@H](NCc2ccc(CN3CC[NH2+]CC3)cc2)C[C@@H]([NH3+])C1 ZINC000925819783 1206157664 /nfs/dbraw/zinc/15/76/64/1206157664.db2.gz ZOYAUBYTAZLTHZ-MOPGFXCFSA-N 2 3 330.520 2.087 20 0 EEADHP c1cc(CN2CC[NH2+]CC2)cc(C[N@H+](C2CCC2)C2CCNCC2)c1 ZINC001236632853 1305619352 /nfs/dbraw/zinc/61/93/52/1305619352.db2.gz BIDRTBOBRFLEJL-UHFFFAOYSA-N 2 3 342.531 2.198 20 0 EEADHP c1cc(CN2CC[NH2+]CC2)cc(C[N@@H+](C2CCC2)C2CCNCC2)c1 ZINC001236632853 1305619356 /nfs/dbraw/zinc/61/93/56/1305619356.db2.gz BIDRTBOBRFLEJL-UHFFFAOYSA-N 2 3 342.531 2.198 20 0 EEADHP c1cc(CN(C2CCC2)C2CC[NH2+]CC2)cc(CN2CC[NH2+]CC2)c1 ZINC001236632853 1305619361 /nfs/dbraw/zinc/61/93/61/1305619361.db2.gz BIDRTBOBRFLEJL-UHFFFAOYSA-N 2 3 342.531 2.198 20 0 EEADHP OC1(C[NH+]2CCC(N3CCC3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC001254044572 1317990558 /nfs/dbraw/zinc/99/05/58/1317990558.db2.gz ZYUNVAAYIVVVQS-UHFFFAOYSA-N 2 3 343.515 2.184 20 0 EEADHP CCOC(=O)C1([C@@H](C)[NH2+]CC(C)(C)CN2CCCC2)CC[NH2+]CC1 ZINC000423068407 240349048 /nfs/dbraw/zinc/34/90/48/240349048.db2.gz BRKOGDQGSBMOAE-MRXNPFEDSA-N 2 3 339.524 2.019 20 0 EEADHP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423439973 285523250 /nfs/dbraw/zinc/52/32/50/285523250.db2.gz SQJDRUAONIRFLX-JRBPQWBISA-N 2 3 327.472 2.220 20 0 EEADHP C[C@@H]1C[C@@H](C[NH+]2CCN(CCN(C)Cc3ccccc3)CC2)CC[NH2+]1 ZINC000414696313 313065719 /nfs/dbraw/zinc/06/57/19/313065719.db2.gz PETHRVAYNMCKRK-CTNGQTDRSA-N 2 3 344.547 2.124 20 0 EEADHP Cc1cc(F)ccc1[C@@H]1C[C@@H]([NH2+]CCCC[NH+]2CCNCC2)CCN1 ZINC001246088542 1310234052 /nfs/dbraw/zinc/23/40/52/1310234052.db2.gz KSZINKNLJADEIN-ICSRJNTNSA-N 2 3 348.510 2.202 20 0 EEADHP C[NH+]1CCC(CN2CCN(C3CC[NH+](C(C)(C)C)CC3)CC2)CC1 ZINC001256576558 1318786872 /nfs/dbraw/zinc/78/68/72/1318786872.db2.gz MALJVWSRDXPLFD-UHFFFAOYSA-N 2 3 336.568 2.209 20 0 EEADHP C[C@@H]1C[C@@H](C)C[NH+](CCCCNCc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC001576591679 1403586744 /nfs/dbraw/zinc/58/67/44/1403586744.db2.gz IPVJBPNXISMINH-KURKYZTESA-N 2 3 348.539 2.050 20 0 EEADHP C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000422914565 240290767 /nfs/dbraw/zinc/29/07/67/240290767.db2.gz UTLUUQANTXRFNZ-FFZOFVMBSA-N 2 3 347.503 2.003 20 0 EEADHP CN1CCC([NH+]2CCC(CC[N@H+](C)C[C@@H]3CCCNC3)CC2)CC1 ZINC000262002264 463923449 /nfs/dbraw/zinc/92/34/49/463923449.db2.gz UFMOOIRHMPNXLM-LJQANCHMSA-N 2 3 336.568 2.114 20 0 EEADHP CN1CCC([NH+]2CCC(CC[N@@H+](C)C[C@@H]3CCCNC3)CC2)CC1 ZINC000262002264 463923456 /nfs/dbraw/zinc/92/34/56/463923456.db2.gz UFMOOIRHMPNXLM-LJQANCHMSA-N 2 3 336.568 2.114 20 0 EEADHP COCC[N@H+](C)CCCC1CCN(C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000904327040 694361532 /nfs/dbraw/zinc/36/15/32/694361532.db2.gz XSYCBPIIMYLYNT-LJQANCHMSA-N 2 3 325.541 2.447 20 0 EEADHP COCC[N@@H+](C)CCCC1CCN(C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000904327040 694361536 /nfs/dbraw/zinc/36/15/36/694361536.db2.gz XSYCBPIIMYLYNT-LJQANCHMSA-N 2 3 325.541 2.447 20 0 EEADHP COCC[N@H+](C)CCCC1CC[NH+](C[C@]2(C)CCCNC2)CC1 ZINC000904327040 694361542 /nfs/dbraw/zinc/36/15/42/694361542.db2.gz XSYCBPIIMYLYNT-LJQANCHMSA-N 2 3 325.541 2.447 20 0 EEADHP COCC[N@@H+](C)CCCC1CC[NH+](C[C@]2(C)CCCNC2)CC1 ZINC000904327040 694361547 /nfs/dbraw/zinc/36/15/47/694361547.db2.gz XSYCBPIIMYLYNT-LJQANCHMSA-N 2 3 325.541 2.447 20 0 EEADHP COc1ccc(CC2(C[NH2+][C@H]3CCN[C@H](C)C3)CC[NH2+]CC2)cc1 ZINC001246390790 1310297866 /nfs/dbraw/zinc/29/78/66/1310297866.db2.gz UOVOOLCXPMDREU-AEFFLSMTSA-N 2 3 331.504 2.338 20 0 EEADHP C[NH2+]C1CCC([NH2+]C2(Cc3ccccc3OC)CCNCC2)CC1 ZINC001246425471 1310309639 /nfs/dbraw/zinc/30/96/39/1310309639.db2.gz KQTZGPSWSGDRTC-UHFFFAOYSA-N 2 3 331.504 2.480 20 0 EEADHP CN1CCC([N@H+]([C@@H]2CCC3(C2)CC[NH2+]CC3)C2CCNCC2)CC1 ZINC001246987218 1310492131 /nfs/dbraw/zinc/49/21/31/1310492131.db2.gz DNAXTILEDQEKHE-LJQANCHMSA-N 2 3 334.552 2.057 20 0 EEADHP CN1CCC([N@@H+]([C@@H]2CCC3(C2)CC[NH2+]CC3)C2CCNCC2)CC1 ZINC001246987218 1310492140 /nfs/dbraw/zinc/49/21/40/1310492140.db2.gz DNAXTILEDQEKHE-LJQANCHMSA-N 2 3 334.552 2.057 20 0 EEADHP CC(C)C1=NCCc2ccc(C[N@@H+]3CCC[C@](O)(C[NH3+])CC3)cc21 ZINC001205248352 1322329742 /nfs/dbraw/zinc/32/97/42/1322329742.db2.gz OMAHUUDMGNEANC-HXUWFJFHSA-N 2 3 329.488 2.364 20 0 EEADHP CC(C)C1=NCCc2ccc(C[N@H+]3CCC[C@](O)(C[NH3+])CC3)cc21 ZINC001205248352 1322329748 /nfs/dbraw/zinc/32/97/48/1322329748.db2.gz OMAHUUDMGNEANC-HXUWFJFHSA-N 2 3 329.488 2.364 20 0 EEADHP [NH3+]CC1CC[NH+](Cc2ccc(NCCN3CCSCC3)cc2)CC1 ZINC001167838917 777069206 /nfs/dbraw/zinc/06/92/06/777069206.db2.gz JGTWGKCGXNOIFN-UHFFFAOYSA-N 2 3 348.560 2.318 20 0 EEADHP C[C@@H]1C[C@H](C)C[N@@H+](CCCCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422874285 240268622 /nfs/dbraw/zinc/26/86/22/240268622.db2.gz CQPGLDONIFLLPW-PXTPFGJHSA-N 2 3 337.552 2.491 20 0 EEADHP C[C@@H]1C[C@H](C)C[N@H+](CCCCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422874285 240268628 /nfs/dbraw/zinc/26/86/28/240268628.db2.gz CQPGLDONIFLLPW-PXTPFGJHSA-N 2 3 337.552 2.491 20 0 EEADHP CC1CN(CC[C@@H]2CCC[N@@H+]2C)CC[NH+](CC[C@@H]2CCCN2C)C1 ZINC000451895424 243297798 /nfs/dbraw/zinc/29/77/98/243297798.db2.gz XNDUXZUMOLKRSZ-PMACEKPBSA-N 2 3 336.568 2.209 20 0 EEADHP CC1CN(CC[C@@H]2CCC[N@H+]2C)CC[NH+](CC[C@@H]2CCCN2C)C1 ZINC000451895424 243297805 /nfs/dbraw/zinc/29/78/05/243297805.db2.gz XNDUXZUMOLKRSZ-PMACEKPBSA-N 2 3 336.568 2.209 20 0 EEADHP CC1CN(CC[C@@H]2CCC[NH+]2C)CC[N@H+](CC[C@@H]2CCCN2C)C1 ZINC000451895424 243297811 /nfs/dbraw/zinc/29/78/11/243297811.db2.gz XNDUXZUMOLKRSZ-PMACEKPBSA-N 2 3 336.568 2.209 20 0 EEADHP CC1CN(CC[C@@H]2CCC[NH+]2C)CC[N@@H+](CC[C@@H]2CCCN2C)C1 ZINC000451895424 243297819 /nfs/dbraw/zinc/29/78/19/243297819.db2.gz XNDUXZUMOLKRSZ-PMACEKPBSA-N 2 3 336.568 2.209 20 0 EEADHP CC1CN(CC[C@@H]2CCC[NH+]2C)CCN(CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000451895424 243297822 /nfs/dbraw/zinc/29/78/22/243297822.db2.gz XNDUXZUMOLKRSZ-PMACEKPBSA-N 2 3 336.568 2.209 20 0 EEADHP CC1CN(CC[C@@H]2CCC[NH+]2C)CCN(CC[C@@H]2CCC[N@H+]2C)C1 ZINC000451895424 243297827 /nfs/dbraw/zinc/29/78/27/243297827.db2.gz XNDUXZUMOLKRSZ-PMACEKPBSA-N 2 3 336.568 2.209 20 0 EEADHP C[C@@H]1C[C@H](C)C[N@@H+](CCCCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422874286 466687243 /nfs/dbraw/zinc/68/72/43/466687243.db2.gz CQPGLDONIFLLPW-UJMXGEILSA-N 2 3 337.552 2.491 20 0 EEADHP C[C@@H]1C[C@H](C)C[N@H+](CCCCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422874286 466687245 /nfs/dbraw/zinc/68/72/45/466687245.db2.gz CQPGLDONIFLLPW-UJMXGEILSA-N 2 3 337.552 2.491 20 0 EEADHP c1ccc([C@@H]2C[C@H](Nc3cc(N4CCNCC4)cc[nH+]3)CC[NH2+]2)cc1 ZINC000635009275 470400219 /nfs/dbraw/zinc/40/02/19/470400219.db2.gz GRRIAAVCTKYXQJ-MJGOQNOKSA-N 2 3 337.471 2.396 20 0 EEADHP c1ccc(CC2([NH2+][C@H]3CCC4(C3)CC[NH2+]CC4)CCNCC2)nc1 ZINC001246369297 1310291029 /nfs/dbraw/zinc/29/10/29/1310291029.db2.gz GVBPCZZLZPEZNM-SFHVURJKSA-N 2 3 328.504 2.258 20 0 EEADHP CCOC(=O)C1([C@H](C)[NH2+]CCCN2CCCC[C@H]2C)CC[NH2+]CC1 ZINC000422769315 240218441 /nfs/dbraw/zinc/21/84/41/240218441.db2.gz OPJAKYYYCXYQKJ-SJORKVTESA-N 2 3 339.524 2.162 20 0 EEADHP CCOC(=O)C1([C@H](C)NCCC[N@@H+]2CCCC[C@H]2C)CC[NH2+]CC1 ZINC000422769315 240218446 /nfs/dbraw/zinc/21/84/46/240218446.db2.gz OPJAKYYYCXYQKJ-SJORKVTESA-N 2 3 339.524 2.162 20 0 EEADHP CCOC(=O)C1([C@H](C)NCCC[N@H+]2CCCC[C@H]2C)CC[NH2+]CC1 ZINC000422769315 240218450 /nfs/dbraw/zinc/21/84/50/240218450.db2.gz OPJAKYYYCXYQKJ-SJORKVTESA-N 2 3 339.524 2.162 20 0 EEADHP [NH3+]C[C@@H]1CCCC[C@@H]1NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000423534015 295248330 /nfs/dbraw/zinc/24/83/30/295248330.db2.gz ZDLPQQCUYJDJRV-OALUTQOASA-N 2 3 330.520 2.087 20 0 EEADHP CCN1CCN(c2ccccc2C[NH2+]CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000414855134 313103282 /nfs/dbraw/zinc/10/32/82/313103282.db2.gz VQZJZEMHIGGEFB-SFHVURJKSA-N 2 3 330.520 2.308 20 0 EEADHP C[C@@H]1C[C@@H]([NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)CCN1C ZINC000423576376 466776450 /nfs/dbraw/zinc/77/64/50/466776450.db2.gz RBNCVDPAGZAVEZ-MJGOQNOKSA-N 2 3 330.520 2.052 20 0 EEADHP CN(c1ccccc1C[NH2+][C@@H]1CC[C@@H](C[NH3+])C1)C1CCN(C)CC1 ZINC000415037070 467472348 /nfs/dbraw/zinc/47/23/48/467472348.db2.gz LYBXGYBIUDRRED-SJLPKXTDSA-N 2 3 330.520 2.434 20 0 EEADHP CN(C)CCOc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000647545701 470927569 /nfs/dbraw/zinc/92/75/69/470927569.db2.gz GOTORDGSCPOGSS-MOPGFXCFSA-N 2 3 331.504 2.449 20 0 EEADHP CN(C)CCOc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000647545701 470927574 /nfs/dbraw/zinc/92/75/74/470927574.db2.gz GOTORDGSCPOGSS-MOPGFXCFSA-N 2 3 331.504 2.449 20 0 EEADHP COc1ccc([C@H](C[NH3+])CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647977426 471035333 /nfs/dbraw/zinc/03/53/33/471035333.db2.gz BDQZAZPWBXZDRX-CEXWTWQISA-N 2 3 331.504 2.449 20 0 EEADHP CN(C)CC[NH+](CCN(C)C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207291114 1323927730 /nfs/dbraw/zinc/92/77/30/1323927730.db2.gz JZDDZHQHONATBZ-UHFFFAOYSA-N 2 3 346.563 2.324 20 0 EEADHP [NH3+][C@H]1CCO[C@H](C2CCN(Cc3ccc4c(c3)C[NH2+]CC4)CC2)C1 ZINC000580439755 324064357 /nfs/dbraw/zinc/06/43/57/324064357.db2.gz QKVJWCRJYGKDFF-PMACEKPBSA-N 2 3 329.488 2.051 20 0 EEADHP C[N@H+](Cc1ccccc1)C1CCC(NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000423491087 466757112 /nfs/dbraw/zinc/75/71/12/466757112.db2.gz JCUQFCHTEZJGMK-SOAGJPPSSA-N 2 3 331.504 2.398 20 0 EEADHP C[N@@H+](Cc1ccccc1)C1CCC(NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000423491087 466757114 /nfs/dbraw/zinc/75/71/14/466757114.db2.gz JCUQFCHTEZJGMK-SOAGJPPSSA-N 2 3 331.504 2.398 20 0 EEADHP Fc1ccc([C@@H]2CCNC[C@@H]2C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647546961 470928529 /nfs/dbraw/zinc/92/85/29/470928529.db2.gz ILILXWQECBVSRQ-OIGVQNGMSA-N 2 3 331.479 2.497 20 0 EEADHP COc1ccc([C@H](C[NH3+])CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647977428 471035129 /nfs/dbraw/zinc/03/51/29/471035129.db2.gz BDQZAZPWBXZDRX-GUDVDZBRSA-N 2 3 331.504 2.449 20 0 EEADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001220920604 1298587305 /nfs/dbraw/zinc/58/73/05/1298587305.db2.gz GELPISNDJUSZJG-AEFFLSMTSA-N 2 3 338.540 2.005 20 0 EEADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001220920604 1298587313 /nfs/dbraw/zinc/58/73/13/1298587313.db2.gz GELPISNDJUSZJG-AEFFLSMTSA-N 2 3 338.540 2.005 20 0 EEADHP c1ccc(C[C@@H]2C[C@H]([NH2+]C[C@H]3CC4(CO3)CC[NH2+]CC4)CCN2)cc1 ZINC001246250492 1310266214 /nfs/dbraw/zinc/26/62/14/1310266214.db2.gz UIUBJNQLUILICZ-VAMGGRTRSA-N 2 3 343.515 2.098 20 0 EEADHP c1cc(N2CCC([NH2+]C3CCC(N4CCOCC4)CC3)CC2)cc[nH+]1 ZINC001256683774 1318831173 /nfs/dbraw/zinc/83/11/73/1318831173.db2.gz HCTSCRHPIDOCGO-UHFFFAOYSA-N 2 3 344.503 2.283 20 0 EEADHP C[C@@H]1CCN(CCNC(=[NH2+])NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000849093443 1338837638 /nfs/dbraw/zinc/83/76/38/1338837638.db2.gz RDXDOJGIBMHKGJ-QGZVFWFLSA-N 2 3 343.519 2.107 20 0 EEADHP COc1ccc(C2(NC3CCC4(C[NH2+]C4)CC3)CC[NH2+]CC2)cc1 ZINC001246380729 1310295459 /nfs/dbraw/zinc/29/54/59/1310295459.db2.gz MNVZVZOUVKYHPK-UHFFFAOYSA-N 2 3 329.488 2.396 20 0 EEADHP Cc1cc(F)ccc1[C@@H]1C[C@H](N2CCC3(CC2)C[NH2+]CCO3)CC[NH2+]1 ZINC001246605113 1310355098 /nfs/dbraw/zinc/35/50/98/1310355098.db2.gz SPINMWCBZHLRLG-MJGOQNOKSA-N 2 3 347.478 2.382 20 0 EEADHP CCOC(=O)C1([C@@H](C)[NH2+]CCCN2CCCC[C@@H]2C)CC[NH2+]CC1 ZINC000422769312 240217583 /nfs/dbraw/zinc/21/75/83/240217583.db2.gz OPJAKYYYCXYQKJ-DLBZAZTESA-N 2 3 339.524 2.162 20 0 EEADHP CCOC(=O)C1([C@@H](C)NCCC[N@@H+]2CCCC[C@@H]2C)CC[NH2+]CC1 ZINC000422769312 240217587 /nfs/dbraw/zinc/21/75/87/240217587.db2.gz OPJAKYYYCXYQKJ-DLBZAZTESA-N 2 3 339.524 2.162 20 0 EEADHP CCOC(=O)C1([C@@H](C)NCCC[N@H+]2CCCC[C@@H]2C)CC[NH2+]CC1 ZINC000422769312 240217593 /nfs/dbraw/zinc/21/75/93/240217593.db2.gz OPJAKYYYCXYQKJ-DLBZAZTESA-N 2 3 339.524 2.162 20 0 EEADHP C[C@@H](NCCc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1)C1C[NH2+]C1 ZINC000423016698 240330585 /nfs/dbraw/zinc/33/05/85/240330585.db2.gz NEVMIKOOBPSHSW-FGTMMUONSA-N 2 3 345.531 2.393 20 0 EEADHP C[C@@H](NCCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1)C1C[NH2+]C1 ZINC000423016698 240330592 /nfs/dbraw/zinc/33/05/92/240330592.db2.gz NEVMIKOOBPSHSW-FGTMMUONSA-N 2 3 345.531 2.393 20 0 EEADHP C[C@@H]([NH2+]CCc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1)C1CNC1 ZINC000423016698 240330597 /nfs/dbraw/zinc/33/05/97/240330597.db2.gz NEVMIKOOBPSHSW-FGTMMUONSA-N 2 3 345.531 2.393 20 0 EEADHP C[C@@H]([NH2+]CCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1)C1CNC1 ZINC000423016698 240330602 /nfs/dbraw/zinc/33/06/02/240330602.db2.gz NEVMIKOOBPSHSW-FGTMMUONSA-N 2 3 345.531 2.393 20 0 EEADHP CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000647977688 471034710 /nfs/dbraw/zinc/03/47/10/471034710.db2.gz GEDIUGLUJMQXOA-WOJBJXKFSA-N 2 3 336.568 2.114 20 0 EEADHP CC(C)N1CCN(CCC[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000647977688 471034715 /nfs/dbraw/zinc/03/47/15/471034715.db2.gz GEDIUGLUJMQXOA-WOJBJXKFSA-N 2 3 336.568 2.114 20 0 EEADHP [NH3+]C12CC(CCN3CCCn4cnc(C[NH2+]C5CCCC5)c4C3)(C1)C2 ZINC001235646388 1305311358 /nfs/dbraw/zinc/31/13/58/1305311358.db2.gz NSVCSGSNEAYQOK-UHFFFAOYSA-N 2 3 343.519 2.393 20 0 EEADHP c1ccc(CN2CCC[C@H]([NH2+]C3CN(C4CC[NH2+]CC4)C3)CC2)cc1 ZINC001246213171 1310260113 /nfs/dbraw/zinc/26/01/13/1310260113.db2.gz DABZBTAASFKPPL-IBGZPJMESA-N 2 3 342.531 2.067 20 0 EEADHP Cc1cc(F)ccc1C[N@H+](C1CCNCC1)[C@H]1CCOC2(C[NH2+]C2)C1 ZINC001246960132 1310479467 /nfs/dbraw/zinc/47/94/67/1310479467.db2.gz MHGRZGARCLDAHC-IBGZPJMESA-N 2 3 347.478 2.209 20 0 EEADHP Cc1cc(F)ccc1C[N@@H+](C1CCNCC1)[C@H]1CCOC2(C[NH2+]C2)C1 ZINC001246960132 1310479473 /nfs/dbraw/zinc/47/94/73/1310479473.db2.gz MHGRZGARCLDAHC-IBGZPJMESA-N 2 3 347.478 2.209 20 0 EEADHP CC1(C)[C@@H]2NCCC[C@H]2[C@H]1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC001550474519 1121864518 /nfs/dbraw/zinc/86/45/18/1121864518.db2.gz XMTCXXYZQCCWQR-GUDVDZBRSA-N 2 3 335.536 2.244 20 0 EEADHP CCOC(=O)C1([C@@H](C)[NH2+]C[C@H]2CCCN(C(C)C)C2)CC[NH2+]CC1 ZINC000422735551 240198490 /nfs/dbraw/zinc/19/84/90/240198490.db2.gz FEXVRIFKWUZMTF-IAGOWNOFSA-N 2 3 339.524 2.018 20 0 EEADHP CCN1CCN(c2ccccc2C[NH2+]CC[C@H]2CCC[NH2+]C2)CC1 ZINC000414855133 313103762 /nfs/dbraw/zinc/10/37/62/313103762.db2.gz VQZJZEMHIGGEFB-GOSISDBHSA-N 2 3 330.520 2.308 20 0 EEADHP CC[NH+](CC)CCO[C@H]1CCN(Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000566351659 319277452 /nfs/dbraw/zinc/27/74/52/319277452.db2.gz WFWFTOSGVKNWOW-FQEVSTJZSA-N 2 3 331.504 2.265 20 0 EEADHP [NH3+]C1(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)CCN(Cc2ccccc2)CC1 ZINC000423544783 466771052 /nfs/dbraw/zinc/77/10/52/466771052.db2.gz CKIOFVVBYRCQNA-PMACEKPBSA-N 2 3 342.531 2.196 20 0 EEADHP [NH3+]C1(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)CCN(Cc2ccccc2)CC1 ZINC000423544783 466771055 /nfs/dbraw/zinc/77/10/55/466771055.db2.gz CKIOFVVBYRCQNA-PMACEKPBSA-N 2 3 342.531 2.196 20 0 EEADHP OC1CCN(Cc2ccccc2C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000647788653 470984697 /nfs/dbraw/zinc/98/46/97/470984697.db2.gz NSUWMGCTMAMEAW-MISYRCLQSA-N 2 3 343.515 2.121 20 0 EEADHP CCN(CC)C[C@@H](O)C[NH2+][C@@H](c1cccc(F)c1)C1CC[NH2+]CC1 ZINC001245997226 1310204259 /nfs/dbraw/zinc/20/42/59/1310204259.db2.gz BSEZAEXNTYWYPS-RBUKOAKNSA-N 2 3 337.483 2.159 20 0 EEADHP C[C@@H]1C[N@H+](CC2(O)CCN(Cc3ccccc3)CC2)CCC[C@@H]1C[NH3+] ZINC001246028280 1310214584 /nfs/dbraw/zinc/21/45/84/1310214584.db2.gz JKOBTSNNPAZYRF-UYAOXDASSA-N 2 3 345.531 2.320 20 0 EEADHP C[C@@H]1C[N@@H+](CC2(O)CCN(Cc3ccccc3)CC2)CCC[C@@H]1C[NH3+] ZINC001246028280 1310214590 /nfs/dbraw/zinc/21/45/90/1310214590.db2.gz JKOBTSNNPAZYRF-UYAOXDASSA-N 2 3 345.531 2.320 20 0 EEADHP [NH3+]CCCC[NH2+]CCCN[C@@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001246459796 1310315948 /nfs/dbraw/zinc/31/59/48/1310315948.db2.gz YVXCDYLIIRYGON-CYBMUJFWSA-N 2 3 329.410 2.269 20 0 EEADHP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(CCC1CC[NH+](C)CC1)C2 ZINC001207483813 1323990299 /nfs/dbraw/zinc/99/02/99/1323990299.db2.gz ZMVSRRZCODYHAI-RTWAWAEBSA-N 2 3 349.563 2.399 20 0 EEADHP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(CCC1CC[NH+](C)CC1)C2 ZINC001207483813 1323990301 /nfs/dbraw/zinc/99/03/01/1323990301.db2.gz ZMVSRRZCODYHAI-RTWAWAEBSA-N 2 3 349.563 2.399 20 0 EEADHP CCN1CCN(c2ccccc2C[NH+]2CCC(C[NH2+]C)CC2)CC1 ZINC000347050503 285339394 /nfs/dbraw/zinc/33/93/94/285339394.db2.gz QVAVYWAPGAZETA-UHFFFAOYSA-N 2 3 330.520 2.260 20 0 EEADHP C[C@@H]1C[N@H+](C)CC[C@H]1NCc1ccccc1C[NH+]1CCC[C@@H]1CO ZINC000359225525 164088379 /nfs/dbraw/zinc/08/83/79/164088379.db2.gz LXKYYHGQBZHJDV-NSISKUIASA-N 2 3 331.504 2.073 20 0 EEADHP C[C@@H]1C[N@@H+](C)CC[C@H]1NCc1ccccc1C[NH+]1CCC[C@@H]1CO ZINC000359225525 164088380 /nfs/dbraw/zinc/08/83/80/164088380.db2.gz LXKYYHGQBZHJDV-NSISKUIASA-N 2 3 331.504 2.073 20 0 EEADHP C[C@@H]1C[NH+](C)CC[C@H]1NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000359225525 164088381 /nfs/dbraw/zinc/08/83/81/164088381.db2.gz LXKYYHGQBZHJDV-NSISKUIASA-N 2 3 331.504 2.073 20 0 EEADHP C[C@@H]1C[NH+](C)CC[C@H]1NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000359225525 164088382 /nfs/dbraw/zinc/08/83/82/164088382.db2.gz LXKYYHGQBZHJDV-NSISKUIASA-N 2 3 331.504 2.073 20 0 EEADHP NC[C@@H]1CCC[C@@H]1[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000423015623 303406912 /nfs/dbraw/zinc/40/69/12/303406912.db2.gz LBGYWAMBILKMEF-ICSRJNTNSA-N 2 3 331.504 2.421 20 0 EEADHP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000582127505 324387039 /nfs/dbraw/zinc/38/70/39/324387039.db2.gz XHVZKBIKEIUEFC-WOJBJXKFSA-N 2 3 329.488 2.051 20 0 EEADHP C[NH+](C)CCOCC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000579369318 468351183 /nfs/dbraw/zinc/35/11/83/468351183.db2.gz LHSCYVDYZMVSFK-XUVXKRRUSA-N 2 3 331.504 2.065 20 0 EEADHP CC(C)N1CCN(CCC[NH+]2CCC(CCC[NH+](C)C)CC2)CC1 ZINC000192782044 464996645 /nfs/dbraw/zinc/99/66/45/464996645.db2.gz NHUODMQGJKQZII-UHFFFAOYSA-N 2 3 338.584 2.456 20 0 EEADHP CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)CC1 ZINC000924667023 693111228 /nfs/dbraw/zinc/11/12/28/693111228.db2.gz FXDGHHZBZIZSAV-ROUUACIJSA-N 2 3 332.536 2.425 20 0 EEADHP CN(C)CC[N@H+]1CC[C@H]2C[NH+](CCCN3CCCCC3)C[C@H]2CC1 ZINC001276049574 1205752400 /nfs/dbraw/zinc/75/24/00/1205752400.db2.gz ZTQRWGPSVCCLPM-BGYRXZFFSA-N 2 3 336.568 2.068 20 0 EEADHP CN(C)CC[N@@H+]1CC[C@H]2C[NH+](CCCN3CCCCC3)C[C@H]2CC1 ZINC001276049574 1205752401 /nfs/dbraw/zinc/75/24/01/1205752401.db2.gz ZTQRWGPSVCCLPM-BGYRXZFFSA-N 2 3 336.568 2.068 20 0 EEADHP CN(C)CC[NH+]1CC[C@H]2C[N@@H+](CCCN3CCCCC3)C[C@H]2CC1 ZINC001276049574 1205752402 /nfs/dbraw/zinc/75/24/02/1205752402.db2.gz ZTQRWGPSVCCLPM-BGYRXZFFSA-N 2 3 336.568 2.068 20 0 EEADHP CN(C)CC[NH+]1CC[C@H]2C[N@H+](CCCN3CCCCC3)C[C@H]2CC1 ZINC001276049574 1205752404 /nfs/dbraw/zinc/75/24/04/1205752404.db2.gz ZTQRWGPSVCCLPM-BGYRXZFFSA-N 2 3 336.568 2.068 20 0 EEADHP CCc1ccc(CN(CC[NH3+])C(=O)[C@@H](N)CCCC[NH2+]C(C)C)cc1 ZINC001220905368 1298579687 /nfs/dbraw/zinc/57/96/87/1298579687.db2.gz UVKWNGYBHABJGY-IBGZPJMESA-N 2 3 348.535 2.032 20 0 EEADHP COc1ccc(C[N@H+]([C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)C2CCNCC2)cc1F ZINC001246960919 1310481558 /nfs/dbraw/zinc/48/15/58/1310481558.db2.gz DWBJRVXSSFANBT-VQFNDLOPSA-N 2 3 347.478 2.386 20 0 EEADHP COc1ccc(C[N@@H+]([C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)C2CCNCC2)cc1F ZINC001246960919 1310481561 /nfs/dbraw/zinc/48/15/61/1310481561.db2.gz DWBJRVXSSFANBT-VQFNDLOPSA-N 2 3 347.478 2.386 20 0 EEADHP COc1ccc(CN([C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)C2CC[NH2+]CC2)cc1F ZINC001246960919 1310481564 /nfs/dbraw/zinc/48/15/64/1310481564.db2.gz DWBJRVXSSFANBT-VQFNDLOPSA-N 2 3 347.478 2.386 20 0 EEADHP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CCN[C@@H](c3ccccc3)C2)CC1 ZINC000415096929 467487946 /nfs/dbraw/zinc/48/79/46/467487946.db2.gz CBODOZPZWSQNNR-NHCUHLMSSA-N 2 3 344.547 2.343 20 0 EEADHP CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC000647977687 471034546 /nfs/dbraw/zinc/03/45/46/471034546.db2.gz GEDIUGLUJMQXOA-VQTJNVASSA-N 2 3 336.568 2.114 20 0 EEADHP CC(C)N1CCN(CCC[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC000647977687 471034550 /nfs/dbraw/zinc/03/45/50/471034550.db2.gz GEDIUGLUJMQXOA-VQTJNVASSA-N 2 3 336.568 2.114 20 0 EEADHP C(C[N@@H+]1C[C@@H]2CN(CC3CCCC3)CCO[C@@H]2C1)[C@H]1CCC[NH2+]C1 ZINC001235636173 1305309796 /nfs/dbraw/zinc/30/97/96/1305309796.db2.gz MBSGDCKUWFXGLU-MISYRCLQSA-N 2 3 335.536 2.199 20 0 EEADHP C(C[N@H+]1C[C@@H]2CN(CC3CCCC3)CCO[C@@H]2C1)[C@H]1CCC[NH2+]C1 ZINC001235636173 1305309800 /nfs/dbraw/zinc/30/98/00/1305309800.db2.gz MBSGDCKUWFXGLU-MISYRCLQSA-N 2 3 335.536 2.199 20 0 EEADHP C[C@@H]1CC[N@H+](CC2(O)CCN(Cc3ccccc3)CC2)CC[C@@H]1C[NH3+] ZINC001246023990 1310213145 /nfs/dbraw/zinc/21/31/45/1310213145.db2.gz PPZYNUMIEAUXMB-UYAOXDASSA-N 2 3 345.531 2.320 20 0 EEADHP C[C@@H]1CC[N@@H+](CC2(O)CCN(Cc3ccccc3)CC2)CC[C@@H]1C[NH3+] ZINC001246023990 1310213150 /nfs/dbraw/zinc/21/31/50/1310213150.db2.gz PPZYNUMIEAUXMB-UYAOXDASSA-N 2 3 345.531 2.320 20 0 EEADHP c1ccc([C@]23CC[NH2+]C[C@H]2CN([C@H]2CSC4(C[NH2+]C4)C2)CC3)cc1 ZINC001246673541 1310376792 /nfs/dbraw/zinc/37/67/92/1310376792.db2.gz PHMGKQDUVKZBFH-NLWGTHIKSA-N 2 3 343.540 2.087 20 0 EEADHP c1ccc([C@]23CCNC[C@H]2C[N@H+]([C@H]2CSC4(C[NH2+]C4)C2)CC3)cc1 ZINC001246673541 1310376804 /nfs/dbraw/zinc/37/68/04/1310376804.db2.gz PHMGKQDUVKZBFH-NLWGTHIKSA-N 2 3 343.540 2.087 20 0 EEADHP c1ccc([C@]23CCNC[C@H]2C[N@@H+]([C@H]2CSC4(C[NH2+]C4)C2)CC3)cc1 ZINC001246673541 1310376814 /nfs/dbraw/zinc/37/68/14/1310376814.db2.gz PHMGKQDUVKZBFH-NLWGTHIKSA-N 2 3 343.540 2.087 20 0 EEADHP CN(c1ccccc1C[NH2+][C@H]1CC12CC[NH2+]CC2)C1CCN(C)CC1 ZINC000666953988 471602132 /nfs/dbraw/zinc/60/21/32/471602132.db2.gz MXMNXTQOVPSNOP-FQEVSTJZSA-N 2 3 342.531 2.449 20 0 EEADHP c1ccc(CN2CCC([NH2+]C[C@H]3CCC4(CC[NH2+]CC4)N3)CC2)cc1 ZINC001246151331 1310247916 /nfs/dbraw/zinc/24/79/16/1310247916.db2.gz XZRACBUEYGKOHD-HXUWFJFHSA-N 2 3 342.531 2.115 20 0 EEADHP Clc1cccc(CC2([NH2+][C@@H]3CCOC4(C[NH2+]C4)C3)CCNCC2)c1 ZINC001246426514 1310308380 /nfs/dbraw/zinc/30/83/80/1310308380.db2.gz CIEUCMDZQJSWKJ-QGZVFWFLSA-N 2 3 349.906 2.115 20 0 EEADHP C[C@@H]1C[C@@H]([NH2+]CCCNCCC[NH3+])C[C@H](C)N1Cc1ccccc1 ZINC001246452027 1310315506 /nfs/dbraw/zinc/31/55/06/1310315506.db2.gz IRWMEHCLFHLBMC-OPVJXMOQSA-N 2 3 332.536 2.346 20 0 EEADHP NC1=CC=C(C2CCN([C@H]3CC[NH2+]C4(CCCCC4)C3)CC2)[NH2+]C1 ZINC001246492913 1310325310 /nfs/dbraw/zinc/32/53/10/1310325310.db2.gz FBNNXAMOMSIIRE-SFHVURJKSA-N 2 3 330.520 2.483 20 0 EEADHP CC[NH+]1CCC(C[N@H+]2C[C@@H]3CCN(Cc4cn[nH]c4)CC[C@@H]3C2)CC1 ZINC001276491541 1323569868 /nfs/dbraw/zinc/56/98/68/1323569868.db2.gz JJEXXFJZVKMNHD-BGYRXZFFSA-N 2 3 345.535 2.285 20 0 EEADHP CC[NH+]1CCC(C[N@@H+]2C[C@@H]3CCN(Cc4cn[nH]c4)CC[C@@H]3C2)CC1 ZINC001276491541 1323569876 /nfs/dbraw/zinc/56/98/76/1323569876.db2.gz JJEXXFJZVKMNHD-BGYRXZFFSA-N 2 3 345.535 2.285 20 0 EEADHP CCN1CCN(c2ccccc2C[NH2+]CC2=CC[N@H+](C)CC2)CC1 ZINC000345159794 161277697 /nfs/dbraw/zinc/27/76/97/161277697.db2.gz FPXLBOYSZJMHOG-UHFFFAOYSA-N 2 3 328.504 2.180 20 0 EEADHP CCN1CCN(c2ccccc2C[NH2+]CC2=CC[N@@H+](C)CC2)CC1 ZINC000345159794 161277698 /nfs/dbraw/zinc/27/76/98/161277698.db2.gz FPXLBOYSZJMHOG-UHFFFAOYSA-N 2 3 328.504 2.180 20 0 EEADHP CCN1CCN(c2ccccc2C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000414988838 467461592 /nfs/dbraw/zinc/46/15/92/467461592.db2.gz GJWNXJGIICATOF-PKOBYXMFSA-N 2 3 330.520 2.436 20 0 EEADHP CCCN(CCC[NH+](C)C)Cc1cccc(CN2CC[NH2+]CC2)c1 ZINC001236321904 1305559938 /nfs/dbraw/zinc/55/99/38/1305559938.db2.gz HMSATCILFUGUHK-UHFFFAOYSA-N 2 3 332.536 2.256 20 0 EEADHP C[N@H+](CCN1CC[NH2+]CC1)[C@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001246872488 1310456904 /nfs/dbraw/zinc/45/69/04/1310456904.db2.gz VMKOKYWWJYXTTB-FQEVSTJZSA-N 2 3 344.547 2.267 20 0 EEADHP C[N@@H+](CCN1CC[NH2+]CC1)[C@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001246872488 1310456911 /nfs/dbraw/zinc/45/69/11/1310456911.db2.gz VMKOKYWWJYXTTB-FQEVSTJZSA-N 2 3 344.547 2.267 20 0 EEADHP [NH3+]CCc1cn(C2CCC([NH+]3CCOCC3)CC2)c2ccncc12 ZINC001256683534 1318828953 /nfs/dbraw/zinc/82/89/53/1318828953.db2.gz FAQSKHKTJYHFNV-UHFFFAOYSA-N 2 3 328.460 2.353 20 0 EEADHP CN(CC[NH3+])CCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172077218 796863931 /nfs/dbraw/zinc/86/39/31/796863931.db2.gz PUJPLRHIXGQOOR-ACDBMABISA-N 2 3 330.520 2.052 20 0 EEADHP CN(CC[NH3+])CCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172077218 796863932 /nfs/dbraw/zinc/86/39/32/796863932.db2.gz PUJPLRHIXGQOOR-ACDBMABISA-N 2 3 330.520 2.052 20 0 EEADHP CCN1CCN(c2ccccc2C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000414988835 467461584 /nfs/dbraw/zinc/46/15/84/467461584.db2.gz GJWNXJGIICATOF-HKUYNNGSSA-N 2 3 330.520 2.436 20 0 EEADHP CN(C)CCOc1ccc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000647542174 470927315 /nfs/dbraw/zinc/92/73/15/470927315.db2.gz LJRMHISMEFJJKS-LJQANCHMSA-N 2 3 331.504 2.449 20 0 EEADHP C[NH+](C)CCOc1ccc(CN2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000647542174 470927320 /nfs/dbraw/zinc/92/73/20/470927320.db2.gz LJRMHISMEFJJKS-LJQANCHMSA-N 2 3 331.504 2.449 20 0 EEADHP C[C@@H](NCc1ccncc1OCCC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000676064267 486128546 /nfs/dbraw/zinc/12/85/46/486128546.db2.gz QSPSVQVGJWLVOU-MRXNPFEDSA-N 2 3 334.508 2.232 20 0 EEADHP CC(C)CCN1CCC([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)CC1 ZINC000925023643 682550130 /nfs/dbraw/zinc/55/01/30/682550130.db2.gz NPPNDKAAPOBENE-LJQANCHMSA-N 2 3 325.541 2.323 20 0 EEADHP CC(C)CCN1CCC([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)CC1 ZINC000925023643 682550135 /nfs/dbraw/zinc/55/01/35/682550135.db2.gz NPPNDKAAPOBENE-LJQANCHMSA-N 2 3 325.541 2.323 20 0 EEADHP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1C[C@H](O)CN1CCCC1 ZINC000903747049 1241819004 /nfs/dbraw/zinc/81/90/04/1241819004.db2.gz OOOJONVKWWWNTF-HBMCJLEFSA-N 2 3 345.531 2.115 20 0 EEADHP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1C[C@H](O)CN1CCCC1 ZINC000903747049 1241819028 /nfs/dbraw/zinc/81/90/28/1241819028.db2.gz OOOJONVKWWWNTF-HBMCJLEFSA-N 2 3 345.531 2.115 20 0 EEADHP c1cncc(CC2([NH2+]C3CCC4(CC[NH2+]C4)CC3)CCNCC2)c1 ZINC001246421202 1310307038 /nfs/dbraw/zinc/30/70/38/1310307038.db2.gz MHOLTRIAYCNYLK-UHFFFAOYSA-N 2 3 328.504 2.258 20 0 EEADHP C[C@@H]1CC([NH2+]CCCNCCC[NH3+])C[C@@H](C)N1Cc1ccccc1 ZINC001246452041 1310314382 /nfs/dbraw/zinc/31/43/82/1310314382.db2.gz IRWMEHCLFHLBMC-QZTJIDSGSA-N 2 3 332.536 2.346 20 0 EEADHP CCOC(=O)C1([C@H](C)[NH2+]CCCN2CCC(C)CC2)CC[NH2+]CC1 ZINC000422781840 240222519 /nfs/dbraw/zinc/22/25/19/240222519.db2.gz LDEBWYYOGWDRTB-KRWDZBQOSA-N 2 3 339.524 2.019 20 0 EEADHP CCOC(=O)C1([C@H](C)NCCC[NH+]2CCC(C)CC2)CC[NH2+]CC1 ZINC000422781840 240222526 /nfs/dbraw/zinc/22/25/26/240222526.db2.gz LDEBWYYOGWDRTB-KRWDZBQOSA-N 2 3 339.524 2.019 20 0 EEADHP C[NH+](C)CCN1CCC(C[NH2+][C@H]2CCN[C@H](c3ccccc3)C2)CC1 ZINC000415096931 467488619 /nfs/dbraw/zinc/48/86/19/467488619.db2.gz CBODOZPZWSQNNR-SFTDATJTSA-N 2 3 344.547 2.343 20 0 EEADHP CC[NH+](CC)CCOc1ccc(CN[C@@H]2CCOC[C@H]2[C@H](C)[NH3+])cc1 ZINC000422887011 535554067 /nfs/dbraw/zinc/55/40/67/535554067.db2.gz ALRQYOQPGXXTRM-FFZOFVMBSA-N 2 3 349.519 2.249 20 0 EEADHP COc1cccc(CC2([NH2+][C@H]3CCC4(C[NH2+]C4)C3)CCNCC2)c1 ZINC001246374610 1310292633 /nfs/dbraw/zinc/29/26/33/1310292633.db2.gz FVTWRJXGUKUVDI-KRWDZBQOSA-N 2 3 329.488 2.092 20 0 EEADHP CC[C@@H]1C[C@H]([NH2+]CC2(c3ccc(OC)cc3)CC[NH2+]CC2)CCN1 ZINC001246414197 1310304694 /nfs/dbraw/zinc/30/46/94/1310304694.db2.gz HUVRSONENPXUMI-QZTJIDSGSA-N 2 3 331.504 2.437 20 0 EEADHP Cc1ccc(F)cc1C[N@H+](C1CCNCC1)[C@H]1CCOC2(C[NH2+]C2)C1 ZINC001246956824 1310477876 /nfs/dbraw/zinc/47/78/76/1310477876.db2.gz VZUCEJYQPNEPPP-IBGZPJMESA-N 2 3 347.478 2.209 20 0 EEADHP Cc1ccc(F)cc1C[N@@H+](C1CCNCC1)[C@H]1CCOC2(C[NH2+]C2)C1 ZINC001246956824 1310477879 /nfs/dbraw/zinc/47/78/79/1310477879.db2.gz VZUCEJYQPNEPPP-IBGZPJMESA-N 2 3 347.478 2.209 20 0 EEADHP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(CCC1CC[NH+](C)CC1)C2 ZINC001207483817 1323990465 /nfs/dbraw/zinc/99/04/65/1323990465.db2.gz ZMVSRRZCODYHAI-SFTDATJTSA-N 2 3 349.563 2.399 20 0 EEADHP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(CCC1CC[NH+](C)CC1)C2 ZINC001207483817 1323990470 /nfs/dbraw/zinc/99/04/70/1323990470.db2.gz ZMVSRRZCODYHAI-SFTDATJTSA-N 2 3 349.563 2.399 20 0 EEADHP CC(C)N1CCN(CCC[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)CC1 ZINC000662295961 472060296 /nfs/dbraw/zinc/06/02/96/472060296.db2.gz WZGGCIBUUPTAQA-FQEVSTJZSA-N 2 3 336.568 2.114 20 0 EEADHP c1ccc(C[C@@H]2C[C@H]([NH2+]C[C@H]3CCC4(CC[NH2+]CC4)O3)CCN2)cc1 ZINC001246134125 1310243812 /nfs/dbraw/zinc/24/38/12/1310243812.db2.gz LTZJCRJXXMHSOQ-VAMGGRTRSA-N 2 3 343.515 2.241 20 0 EEADHP Fc1ccccc1C1([NH2+]C2CCC3(CC2)C[NH2+]CCO3)CCNCC1 ZINC001246436096 1310310378 /nfs/dbraw/zinc/31/03/78/1310310378.db2.gz JQXSFMPAMCCJCS-UHFFFAOYSA-N 2 3 347.478 2.295 20 0 EEADHP CN(C)CC[N@@H+]1CCC[C@]2(CCCN(CC(C)(C)C[NH+](C)C)C2)C1 ZINC001276658334 1324990480 /nfs/dbraw/zinc/99/04/80/1324990480.db2.gz KMQQXBKAEXGTMT-FQEVSTJZSA-N 2 3 338.584 2.314 20 0 EEADHP CN(C)CC[N@H+]1CCC[C@]2(CCCN(CC(C)(C)C[NH+](C)C)C2)C1 ZINC001276658334 1324990485 /nfs/dbraw/zinc/99/04/85/1324990485.db2.gz KMQQXBKAEXGTMT-FQEVSTJZSA-N 2 3 338.584 2.314 20 0 EEADHP C[n+]1ccccc1-n1cc(CCN2CCC([NH3+])CC2)c2ccccc21 ZINC001170522272 812194887 /nfs/dbraw/zinc/19/48/87/812194887.db2.gz GDJLAYWJGOWTPH-UHFFFAOYSA-N 2 3 335.475 2.421 20 0 EEADHP NC[C@@H]1CCC[C@H]1[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000423015621 240329286 /nfs/dbraw/zinc/32/92/86/240329286.db2.gz LBGYWAMBILKMEF-AZUAARDMSA-N 2 3 331.504 2.421 20 0 EEADHP CN(C)Cc1ccc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cc1 ZINC000264894119 247019035 /nfs/dbraw/zinc/01/90/35/247019035.db2.gz KMCQIYBSDGPKTP-UHFFFAOYSA-N 2 3 348.535 2.094 20 0 EEADHP CN(C)[C@H]1CCC[C@@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000715256078 1190938562 /nfs/dbraw/zinc/93/85/62/1190938562.db2.gz SAESKBHQZVXLLK-UXHICEINSA-N 2 3 345.531 2.476 20 0 EEADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1ccc(C(C)(C)C[NH3+])cc1 ZINC001218895140 1297855009 /nfs/dbraw/zinc/85/50/09/1297855009.db2.gz ILXLMIUVULYQCX-KRWDZBQOSA-N 2 3 334.508 2.357 20 0 EEADHP CC(C)(C)[C@@H]1C[C@H](NCC2(c3ccccn3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246429071 1310309187 /nfs/dbraw/zinc/30/91/87/1310309187.db2.gz RKOYMWGVPAZEKK-AEFFLSMTSA-N 2 3 330.520 2.459 20 0 EEADHP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000923324508 789383703 /nfs/dbraw/zinc/38/37/03/789383703.db2.gz WSINPVNUHQADEW-OBKBHFTKSA-N 2 3 348.579 2.398 20 0 EEADHP [NH3+]Cc1ccnc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)c1 ZINC001170522966 812205907 /nfs/dbraw/zinc/20/59/07/812205907.db2.gz VLVUMEIQDDHNPL-UHFFFAOYSA-N 2 3 349.482 2.450 20 0 EEADHP COCC[N@H+](C)CCOc1cccc(CN[C@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000422716153 240188709 /nfs/dbraw/zinc/18/87/09/240188709.db2.gz UDMBYRVMRSMBKA-PXNSSMCTSA-N 2 3 349.519 2.121 20 0 EEADHP COCC[N@@H+](C)CCOc1cccc(CN[C@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000422716153 240188716 /nfs/dbraw/zinc/18/87/16/240188716.db2.gz UDMBYRVMRSMBKA-PXNSSMCTSA-N 2 3 349.519 2.121 20 0 EEADHP [NH3+]C1(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCN(Cc2ccccc2)CC1 ZINC000423544785 466771258 /nfs/dbraw/zinc/77/12/58/466771258.db2.gz CKIOFVVBYRCQNA-UXHICEINSA-N 2 3 342.531 2.196 20 0 EEADHP [NH3+]C1(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)CCN(Cc2ccccc2)CC1 ZINC000423544785 466771263 /nfs/dbraw/zinc/77/12/63/466771263.db2.gz CKIOFVVBYRCQNA-UXHICEINSA-N 2 3 342.531 2.196 20 0 EEADHP CC(CN1CCC[C@@H]([NH+](C)C)CC1)C[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000429554875 467346192 /nfs/dbraw/zinc/34/61/92/467346192.db2.gz UPUNYGUCSFGOMI-WOJBJXKFSA-N 2 3 338.584 2.455 20 0 EEADHP CC(CN1CCC[C@@H]([NH+](C)C)CC1)C[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000429554875 467346196 /nfs/dbraw/zinc/34/61/96/467346196.db2.gz UPUNYGUCSFGOMI-WOJBJXKFSA-N 2 3 338.584 2.455 20 0 EEADHP CN(C)CCOc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000647545704 470927684 /nfs/dbraw/zinc/92/76/84/470927684.db2.gz GOTORDGSCPOGSS-RTBURBONSA-N 2 3 331.504 2.449 20 0 EEADHP CN(C)CCOc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000647545704 470927687 /nfs/dbraw/zinc/92/76/87/470927687.db2.gz GOTORDGSCPOGSS-RTBURBONSA-N 2 3 331.504 2.449 20 0 EEADHP CN(C)[C@@H]1CCC[C@@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000715256083 1190938615 /nfs/dbraw/zinc/93/86/15/1190938615.db2.gz SAESKBHQZVXLLK-WOJBJXKFSA-N 2 3 345.531 2.476 20 0 EEADHP CN(C)Cc1cc(C[NH+](C)C)cc(CN(C)C)c1O[C@@H]1CCC[NH2+]C1 ZINC001218282027 1297621631 /nfs/dbraw/zinc/62/16/31/1297621631.db2.gz NWBCMLKPOADDOW-LJQANCHMSA-N 2 3 348.535 2.002 20 0 EEADHP CN(C)CC[N@@H+]1CCCC2(CC[NH+](C[C@@H]3CCCN(C)C3)CC2)C1 ZINC001276496883 1323620905 /nfs/dbraw/zinc/62/09/05/1323620905.db2.gz BGWSIEXXEFOPKY-LJQANCHMSA-N 2 3 336.568 2.068 20 0 EEADHP CN(C)CC[N@H+]1CCCC2(CC[NH+](C[C@@H]3CCCN(C)C3)CC2)C1 ZINC001276496883 1323620911 /nfs/dbraw/zinc/62/09/11/1323620911.db2.gz BGWSIEXXEFOPKY-LJQANCHMSA-N 2 3 336.568 2.068 20 0 EEADHP CN1CCC[C@H](C[NH+]2CCC3(CC[N@H+](CCn4ccnc4)C3)CC2)C1 ZINC001276498523 1323635582 /nfs/dbraw/zinc/63/55/82/1323635582.db2.gz VMQRITWSOMOPBO-IBGZPJMESA-N 2 3 345.535 2.013 20 0 EEADHP CN1CCC[C@H](C[NH+]2CCC3(CC[N@@H+](CCn4ccnc4)C3)CC2)C1 ZINC001276498523 1323635586 /nfs/dbraw/zinc/63/55/86/1323635586.db2.gz VMQRITWSOMOPBO-IBGZPJMESA-N 2 3 345.535 2.013 20 0 EEADHP [NH3+][C@@H]1CCCO[C@H]1C1CCN(Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000582127503 324387060 /nfs/dbraw/zinc/38/70/60/324387060.db2.gz XHVZKBIKEIUEFC-UXHICEINSA-N 2 3 329.488 2.051 20 0 EEADHP c1cc(CN2CCC(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)CC2)ccn1 ZINC000665240325 471976992 /nfs/dbraw/zinc/97/69/92/471976992.db2.gz IHRDOZILZGJPTJ-VAMGGRTRSA-N 2 3 328.504 2.271 20 0 EEADHP c1cncc(CC2(C[NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)N4)CC[NH2+]CC2)c1 ZINC001246412614 1310304277 /nfs/dbraw/zinc/30/42/77/1310304277.db2.gz JDRYJERWHDYJIG-REPLKXPHSA-N 2 3 328.504 2.257 20 0 EEADHP c1cncc(CC2(C[NH2+][C@H]3CCNC4(CCC4)C3)CC[NH2+]CC2)c1 ZINC001246416260 1310305294 /nfs/dbraw/zinc/30/52/94/1310305294.db2.gz RVNKFURZQFOADQ-SFHVURJKSA-N 2 3 328.504 2.258 20 0 EEADHP c1ccc(C[C@@H]2C[C@@H]([N@@H+]3CCOCC4(CC[NH2+]CC4)C3)CCN2)cc1 ZINC001246613005 1310357876 /nfs/dbraw/zinc/35/78/76/1310357876.db2.gz KAWFITJKVPUPLY-UXHICEINSA-N 2 3 343.515 2.052 20 0 EEADHP c1ccc(C[C@@H]2C[C@@H]([N@H+]3CCOCC4(CC[NH2+]CC4)C3)CCN2)cc1 ZINC001246613005 1310357881 /nfs/dbraw/zinc/35/78/81/1310357881.db2.gz KAWFITJKVPUPLY-UXHICEINSA-N 2 3 343.515 2.052 20 0 EEADHP c1ccc(C[C@@H]2C[C@@H](N3CCOCC4(CC[NH2+]CC4)C3)CC[NH2+]2)cc1 ZINC001246613005 1310357891 /nfs/dbraw/zinc/35/78/91/1310357891.db2.gz KAWFITJKVPUPLY-UXHICEINSA-N 2 3 343.515 2.052 20 0 EEADHP CN1CCC([N@H+](C2CCNCC2)C2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC001246993132 1310495350 /nfs/dbraw/zinc/49/53/50/1310495350.db2.gz KWRSCHCANBFQJD-UHFFFAOYSA-N 2 3 348.579 2.447 20 0 EEADHP CN1CCC([N@@H+](C2CCNCC2)C2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC001246993132 1310495360 /nfs/dbraw/zinc/49/53/60/1310495360.db2.gz KWRSCHCANBFQJD-UHFFFAOYSA-N 2 3 348.579 2.447 20 0 EEADHP C[C@@H](CNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1)N1CCCC1 ZINC000849061528 1338834321 /nfs/dbraw/zinc/83/43/21/1338834321.db2.gz LKTGJKINQHLBJT-KRWDZBQOSA-N 2 3 343.519 2.249 20 0 EEADHP C[C@H](NCCc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1)C1C[NH2+]C1 ZINC000423016700 240328352 /nfs/dbraw/zinc/32/83/52/240328352.db2.gz NEVMIKOOBPSHSW-KSZLIROESA-N 2 3 345.531 2.393 20 0 EEADHP C[C@H](NCCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1)C1C[NH2+]C1 ZINC000423016700 240328359 /nfs/dbraw/zinc/32/83/59/240328359.db2.gz NEVMIKOOBPSHSW-KSZLIROESA-N 2 3 345.531 2.393 20 0 EEADHP C[C@H]([NH2+]CCc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1)C1CNC1 ZINC000423016700 240328361 /nfs/dbraw/zinc/32/83/61/240328361.db2.gz NEVMIKOOBPSHSW-KSZLIROESA-N 2 3 345.531 2.393 20 0 EEADHP C[C@H]([NH2+]CCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1)C1CNC1 ZINC000423016700 240328366 /nfs/dbraw/zinc/32/83/66/240328366.db2.gz NEVMIKOOBPSHSW-KSZLIROESA-N 2 3 345.531 2.393 20 0 EEADHP CN1CCC([NH+]2CCC(CC[N@H+](C)C[C@H]3CCCNC3)CC2)CC1 ZINC000262002263 463923255 /nfs/dbraw/zinc/92/32/55/463923255.db2.gz UFMOOIRHMPNXLM-IBGZPJMESA-N 2 3 336.568 2.114 20 0 EEADHP CN1CCC([NH+]2CCC(CC[N@@H+](C)C[C@H]3CCCNC3)CC2)CC1 ZINC000262002263 463923258 /nfs/dbraw/zinc/92/32/58/463923258.db2.gz UFMOOIRHMPNXLM-IBGZPJMESA-N 2 3 336.568 2.114 20 0 EEADHP CCOC(=O)C1([C@H](C)NC2CC[NH+](CC(C)C)CC2)CC[NH2+]CC1 ZINC000422818226 466683815 /nfs/dbraw/zinc/68/38/15/466683815.db2.gz JWXOIMHTERGBJG-INIZCTEOSA-N 2 3 339.524 2.018 20 0 EEADHP c1ccc(CC2([NH2+][C@@H]3CCC[C@@]4(CC[NH2+]C4)C3)CCNCC2)nc1 ZINC001246368599 1310291591 /nfs/dbraw/zinc/29/15/91/1310291591.db2.gz FXRHJADIVHKDFG-RTBURBONSA-N 2 3 328.504 2.258 20 0 EEADHP COc1ccc(C2(C[NH2+]C3C[C@@H](C)N[C@H](C)C3)CC[NH2+]CC2)cc1 ZINC001246416028 1310305706 /nfs/dbraw/zinc/30/57/06/1310305706.db2.gz PDRRIMBJAROXGK-HZPDHXFCSA-N 2 3 331.504 2.435 20 0 EEADHP NC1=CC=C(C2CC[NH+](C3CCC4(CC[NH2+]CC4)CC3)CC2)NC1 ZINC001246493599 1310324605 /nfs/dbraw/zinc/32/46/05/1310324605.db2.gz IKKCXHWIPLNAHM-UHFFFAOYSA-N 2 3 330.520 2.341 20 0 EEADHP [NH3+]CCCC[NH2+]CCCN[C@@H]1Cc2ccc(Br)cc2C1 ZINC001246456176 788555966 /nfs/dbraw/zinc/55/59/66/788555966.db2.gz INPPXHYAJNMRSW-MRXNPFEDSA-N 2 3 340.309 2.225 20 0 EEADHP CCN1CCN(c2ccccc2C[NH+]2CCC([C@H](C)[NH3+])CC2)CC1 ZINC000347179392 466454323 /nfs/dbraw/zinc/45/43/23/466454323.db2.gz UHOFJIIHQXYZQG-KRWDZBQOSA-N 2 3 330.520 2.388 20 0 EEADHP [NH3+]C1(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCN(Cc2ccccc2)CC1 ZINC000423544789 466771812 /nfs/dbraw/zinc/77/18/12/466771812.db2.gz CKIOFVVBYRCQNA-WOJBJXKFSA-N 2 3 342.531 2.196 20 0 EEADHP [NH3+]C1(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCN(Cc2ccccc2)CC1 ZINC000423544789 466771813 /nfs/dbraw/zinc/77/18/13/466771813.db2.gz CKIOFVVBYRCQNA-WOJBJXKFSA-N 2 3 342.531 2.196 20 0 EEADHP OC1CCN(Cc2ccccc2C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000647788654 470984714 /nfs/dbraw/zinc/98/47/14/470984714.db2.gz NSUWMGCTMAMEAW-YSIASYRMSA-N 2 3 343.515 2.121 20 0 EEADHP C[NH2+]C1CCC([NH2+]C2(Cc3ccc(OC)cc3)CCNCC2)CC1 ZINC001246378207 1310293962 /nfs/dbraw/zinc/29/39/62/1310293962.db2.gz PRDHRQBPBKHXLL-UHFFFAOYSA-N 2 3 331.504 2.480 20 0 EEADHP CN1CCC([N@H+](C2CCNCC2)C2CCC3(CCC[NH2+]C3)CC2)CC1 ZINC001246994026 1310495734 /nfs/dbraw/zinc/49/57/34/1310495734.db2.gz OTDICGQYBGMVCB-UHFFFAOYSA-N 2 3 348.579 2.447 20 0 EEADHP CN1CCC([N@@H+](C2CCNCC2)C2CCC3(CCC[NH2+]C3)CC2)CC1 ZINC001246994026 1310495736 /nfs/dbraw/zinc/49/57/36/1310495736.db2.gz OTDICGQYBGMVCB-UHFFFAOYSA-N 2 3 348.579 2.447 20 0 EEADHP CC[NH+]1CCC(C[N@H+]2CCc3ncc(CN4CCCC4)n3CC2)CC1 ZINC001208596111 1324580285 /nfs/dbraw/zinc/58/02/85/1324580285.db2.gz BZFJZTFPKNXDJE-UHFFFAOYSA-N 2 3 345.535 2.069 20 0 EEADHP CC[NH+]1CCC(C[N@@H+]2CCc3ncc(CN4CCCC4)n3CC2)CC1 ZINC001208596111 1324580289 /nfs/dbraw/zinc/58/02/89/1324580289.db2.gz BZFJZTFPKNXDJE-UHFFFAOYSA-N 2 3 345.535 2.069 20 0 EEADHP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000422833920 466684438 /nfs/dbraw/zinc/68/44/38/466684438.db2.gz NBKWOYOEXLQFAS-XFQXTVEOSA-N 2 3 327.472 2.316 20 0 EEADHP c1cc(N2CC[NH2+]CC2)oc1CN1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000904416989 694388268 /nfs/dbraw/zinc/38/82/68/694388268.db2.gz WCXKOHOTFTUZOE-QGZVFWFLSA-N 2 3 346.519 2.291 20 0 EEADHP C[N@@H+]1CC[C@H](NCc2ccc(CN3CC[NH2+]CC3)cc2)[C@H]2CCC[C@@H]21 ZINC000925816117 1206157288 /nfs/dbraw/zinc/15/72/88/1206157288.db2.gz FUPGPFNFMYVNRK-HKBOAZHASA-N 2 3 342.531 2.054 20 0 EEADHP C[N@H+]1CC[C@H](NCc2ccc(CN3CC[NH2+]CC3)cc2)[C@H]2CCC[C@@H]21 ZINC000925816117 1206157289 /nfs/dbraw/zinc/15/72/89/1206157289.db2.gz FUPGPFNFMYVNRK-HKBOAZHASA-N 2 3 342.531 2.054 20 0 EEADHP c1ccc(CC2([NH2+][C@H]3CCC[C@@]4(CC[NH2+]C4)C3)CCNCC2)nc1 ZINC001246368593 1310291603 /nfs/dbraw/zinc/29/16/03/1310291603.db2.gz FXRHJADIVHKDFG-RBUKOAKNSA-N 2 3 328.504 2.258 20 0 EEADHP [NH3+][C@H]1CC[C@H](N(Cc2ccc3n2CC[NH2+]C3)Cc2ccccn2)CC1 ZINC001236671340 1305629969 /nfs/dbraw/zinc/62/99/69/1305629969.db2.gz GRTYBMYROFBANG-SAABIXHNSA-N 2 3 339.487 2.258 20 0 EEADHP CCOC(=O)C[C@H](N[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1)C1CC[NH2+]CC1 ZINC001246231439 1310263465 /nfs/dbraw/zinc/26/34/65/1310263465.db2.gz UGHJQQXIAOHZIQ-IKGGRYGDSA-N 2 3 339.524 2.064 20 0 EEADHP C[C@H]1CC[C@@H]([NH2+][C@H]2CC[C@H]([NH+]3CCN(CC4CC4)CC3)CC2)CN1 ZINC001246292118 1310274162 /nfs/dbraw/zinc/27/41/62/1310274162.db2.gz KDBAOHVBZBFIKM-FFGOWVMKSA-N 2 3 334.552 2.055 20 0 EEADHP COc1cccc(CC2(C[NH2+][C@@H]3CCN[C@H](C)C3)CC[NH2+]CC2)c1 ZINC001246378918 1310294325 /nfs/dbraw/zinc/29/43/25/1310294325.db2.gz BDTFOCHWNCXXHM-SJLPKXTDSA-N 2 3 331.504 2.338 20 0 EEADHP COc1ccc(C2(C[NH2+][C@H]3CCNC(C)(C)C3)CC[NH2+]CC2)cc1 ZINC001246415965 1310306292 /nfs/dbraw/zinc/30/62/92/1310306292.db2.gz MGUVHMZERYSJPC-KRWDZBQOSA-N 2 3 331.504 2.437 20 0 EEADHP CN1CCC[C@@H](C[NH+]2CCC3(CC[N@H+](Cc4cn[nH]c4)C3)CC2)C1 ZINC001276496578 1323620595 /nfs/dbraw/zinc/62/05/95/1323620595.db2.gz GNLLTLBREQQLLY-QGZVFWFLSA-N 2 3 331.508 2.039 20 0 EEADHP CN1CCC[C@@H](C[NH+]2CCC3(CC[N@@H+](Cc4cn[nH]c4)C3)CC2)C1 ZINC001276496578 1323620604 /nfs/dbraw/zinc/62/06/04/1323620604.db2.gz GNLLTLBREQQLLY-QGZVFWFLSA-N 2 3 331.508 2.039 20 0 EEADHP [NH3+][C@H]1CC[C@H](N(Cc2ccc3n2CC[NH2+]C3)Cc2cccnc2)CC1 ZINC001236565042 1305598938 /nfs/dbraw/zinc/59/89/38/1305598938.db2.gz UHLNUYMHHIZXPH-IYARVYRRSA-N 2 3 339.487 2.258 20 0 EEADHP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(CC1CC[NH+](C)CC1)C2 ZINC001207396713 1323957235 /nfs/dbraw/zinc/95/72/35/1323957235.db2.gz RFWNECSSPIHAGF-UXHICEINSA-N 2 3 335.536 2.009 20 0 EEADHP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(CC1CC[NH+](C)CC1)C2 ZINC001207396713 1323957237 /nfs/dbraw/zinc/95/72/37/1323957237.db2.gz RFWNECSSPIHAGF-UXHICEINSA-N 2 3 335.536 2.009 20 0 EEADHP C[C@H]1C[C@@H](N2CCN(CCCC[NH3+])CC2)C[N@@H+]1Cc1ccccc1 ZINC001171742471 796735181 /nfs/dbraw/zinc/73/51/81/796735181.db2.gz VQFKFQAPMCWVTE-AZUAARDMSA-N 2 3 330.520 2.006 20 0 EEADHP C[C@H]1C[C@@H](N2CCN(CCCC[NH3+])CC2)C[N@H+]1Cc1ccccc1 ZINC001171742471 796735184 /nfs/dbraw/zinc/73/51/84/796735184.db2.gz VQFKFQAPMCWVTE-AZUAARDMSA-N 2 3 330.520 2.006 20 0 EEADHP CC1(C)C[C@H]([NH3+])C[C@@H](NCc2ccc(CN3CC[NH2+]CC3)cc2)C1 ZINC000925819786 1206157525 /nfs/dbraw/zinc/15/75/25/1206157525.db2.gz ZOYAUBYTAZLTHZ-RTBURBONSA-N 2 3 330.520 2.087 20 0 EEADHP CCC[N@H+](Cc1cccc(CN2CC[NH2+]CC2)c1)C1CCNCC1 ZINC001236183220 1305525644 /nfs/dbraw/zinc/52/56/44/1305525644.db2.gz ZKACYPKKQYATOX-UHFFFAOYSA-N 2 3 330.520 2.056 20 0 EEADHP CCC[N@@H+](Cc1cccc(CN2CC[NH2+]CC2)c1)C1CCNCC1 ZINC001236183220 1305525648 /nfs/dbraw/zinc/52/56/48/1305525648.db2.gz ZKACYPKKQYATOX-UHFFFAOYSA-N 2 3 330.520 2.056 20 0 EEADHP CCOC(=O)C[C@H](N[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1)C1CC[NH2+]CC1 ZINC001246231447 1310263234 /nfs/dbraw/zinc/26/32/34/1310263234.db2.gz UGHJQQXIAOHZIQ-YESZJQIVSA-N 2 3 339.524 2.064 20 0 EEADHP CC[NH+](CC)C[C@@H](O)CNCC1CC[NH+](C2CCCCC2)CC1 ZINC001253209009 1317798374 /nfs/dbraw/zinc/79/83/74/1317798374.db2.gz VVHLNNJUJFTAKH-IBGZPJMESA-N 2 3 325.541 2.323 20 0 EEADHP C[C@H]1C[C@@H](N2CCN(CCCC[NH3+])CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256538907 1318772414 /nfs/dbraw/zinc/77/24/14/1318772414.db2.gz VXPWGWBRGSXLSG-FPOVZHCZSA-N 2 3 344.547 2.396 20 0 EEADHP C[C@H]1C[C@@H](N2CCN(CCCC[NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC001256538907 1318772422 /nfs/dbraw/zinc/77/24/22/1318772422.db2.gz VXPWGWBRGSXLSG-FPOVZHCZSA-N 2 3 344.547 2.396 20 0 EEADHP CC[NH+]1CCC(C[NH+]2CCC3(CN(CCn4ccnc4)C3)CC2)CC1 ZINC001276497332 1323625311 /nfs/dbraw/zinc/62/53/11/1323625311.db2.gz VXVXRYHTJRBQFI-UHFFFAOYSA-N 2 3 345.535 2.013 20 0 EEADHP C[C@H]1CCN(CCNC(=[NH2+])NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000849093442 1338837328 /nfs/dbraw/zinc/83/73/28/1338837328.db2.gz RDXDOJGIBMHKGJ-KRWDZBQOSA-N 2 3 343.519 2.107 20 0 EEADHP C[C@H]1CC[NH2+]CC[C@@H]1NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000422747669 240205680 /nfs/dbraw/zinc/20/56/80/240205680.db2.gz ZFPCTNKKLSOQDZ-JXFKEZNVSA-N 2 3 331.504 2.121 20 0 EEADHP CN(c1ccccc1C[NH2+][C@H]1CC[C@@H](C[NH3+])C1)C1CCN(C)CC1 ZINC000415037066 467472621 /nfs/dbraw/zinc/47/26/21/467472621.db2.gz LYBXGYBIUDRRED-AEFFLSMTSA-N 2 3 330.520 2.434 20 0 EEADHP C[C@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)C1CC[NH+](C)CC1 ZINC000675823678 486077976 /nfs/dbraw/zinc/07/79/76/486077976.db2.gz XOAXOKCGNJEGCN-KRWDZBQOSA-N 2 3 333.520 2.489 20 0 EEADHP c1ccc([C@]23CCNC[C@@H]2C[N@H+]([C@@H]2CCC4(C[NH2+]C4)C2)CC3)cc1 ZINC001246670446 1310375321 /nfs/dbraw/zinc/37/53/21/1310375321.db2.gz CWJSESHZUQKJKO-SFHLNBCPSA-N 2 3 325.500 2.382 20 0 EEADHP c1ccc([C@]23CCNC[C@@H]2C[N@@H+]([C@@H]2CCC4(C[NH2+]C4)C2)CC3)cc1 ZINC001246670446 1310375327 /nfs/dbraw/zinc/37/53/27/1310375327.db2.gz CWJSESHZUQKJKO-SFHLNBCPSA-N 2 3 325.500 2.382 20 0 EEADHP [NH3+]CCCCN1CCN([C@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001255395487 1318387407 /nfs/dbraw/zinc/38/74/07/1318387407.db2.gz BCVYWXRIBZOPMQ-NRFANRHFSA-N 2 3 344.547 2.398 20 0 EEADHP [NH3+]CCCCN1CCN([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255395487 1318387416 /nfs/dbraw/zinc/38/74/16/1318387416.db2.gz BCVYWXRIBZOPMQ-NRFANRHFSA-N 2 3 344.547 2.398 20 0 EEADHP CN1CCC[C@H](C[NH+]2CCC3(CCC[N@H+](Cc4cn[nH]c4)C3)CC2)C1 ZINC001276496650 1323620731 /nfs/dbraw/zinc/62/07/31/1323620731.db2.gz IPNHJNWXUXVSFL-SFHVURJKSA-N 2 3 345.535 2.430 20 0 EEADHP CN1CCC[C@H](C[NH+]2CCC3(CCC[N@@H+](Cc4cn[nH]c4)C3)CC2)C1 ZINC001276496650 1323620737 /nfs/dbraw/zinc/62/07/37/1323620737.db2.gz IPNHJNWXUXVSFL-SFHVURJKSA-N 2 3 345.535 2.430 20 0 EEADHP CCC[NH+](CCC)CCN1CCN(CC2(C)CC[NH+](C)CC2)CC1 ZINC001208109047 1324320598 /nfs/dbraw/zinc/32/05/98/1324320598.db2.gz KREGIAYLTDMUHM-UHFFFAOYSA-N 2 3 338.584 2.458 20 0 EEADHP CCN1CCN(c2ccccc2C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000346819146 466176595 /nfs/dbraw/zinc/17/65/95/466176595.db2.gz HFLPNNDSDOXDNP-DFQSSKMNSA-N 2 3 342.531 2.388 20 0 EEADHP CCN1CCN(c2ccccc2C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000346819146 466176599 /nfs/dbraw/zinc/17/65/99/466176599.db2.gz HFLPNNDSDOXDNP-DFQSSKMNSA-N 2 3 342.531 2.388 20 0 EEADHP O[C@@H]1CCC[C@@H]1N1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000422993687 466689468 /nfs/dbraw/zinc/68/94/68/466689468.db2.gz TYPVMNASOSDCBZ-MFKWGIFDSA-N 2 3 335.536 2.265 20 0 EEADHP COCC1(C[NH2+][C@H](C)c2ccc(OCCN(C)C)cc2)CC[NH2+]CC1 ZINC000423413517 466743329 /nfs/dbraw/zinc/74/33/29/466743329.db2.gz ZHJRXDXSDOCUSN-QGZVFWFLSA-N 2 3 349.519 2.294 20 0 EEADHP c1cc(CN2CCC(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)CC2)ccn1 ZINC000665240324 471977338 /nfs/dbraw/zinc/97/73/38/471977338.db2.gz IHRDOZILZGJPTJ-SLFFLAALSA-N 2 3 328.504 2.271 20 0 EEADHP Clc1cccc(C2([NH2+][C@@H]3CCOC4(C[NH2+]C4)C3)CCNCC2)c1 ZINC001246428978 1310309112 /nfs/dbraw/zinc/30/91/12/1310309112.db2.gz FJTCTVNYHKXPNW-MRXNPFEDSA-N 2 3 335.879 2.029 20 0 EEADHP NC1=CC=C(C2CCN([C@@H]3CC[NH2+]C4(CCCCC4)C3)CC2)[NH2+]C1 ZINC001246492912 1310324345 /nfs/dbraw/zinc/32/43/45/1310324345.db2.gz FBNNXAMOMSIIRE-GOSISDBHSA-N 2 3 330.520 2.483 20 0 EEADHP CC[NH+](CC)CCN1CCN(C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001256855619 1318873808 /nfs/dbraw/zinc/87/38/08/1318873808.db2.gz RJHGMJWMERCUCZ-UHFFFAOYSA-N 2 3 345.535 2.010 20 0 EEADHP C[N@@H+]1CCC[C@H](CN[C@@]23CC[C@@]([NH2+]CCn4ccnc4)(C2)CCC3)C1 ZINC001276498194 1323628832 /nfs/dbraw/zinc/62/88/32/1323628832.db2.gz SJYMDBRXBRUWSM-AQNXPRMDSA-N 2 3 345.535 2.250 20 0 EEADHP C[N@H+]1CCC[C@H](CN[C@@]23CC[C@@]([NH2+]CCn4ccnc4)(C2)CCC3)C1 ZINC001276498194 1323628840 /nfs/dbraw/zinc/62/88/40/1323628840.db2.gz SJYMDBRXBRUWSM-AQNXPRMDSA-N 2 3 345.535 2.250 20 0 EEADHP CN1CCC[C@H](C[NH2+][C@@]23CC[C@@]([NH2+]CCn4ccnc4)(C2)CCC3)C1 ZINC001276498194 1323628848 /nfs/dbraw/zinc/62/88/48/1323628848.db2.gz SJYMDBRXBRUWSM-AQNXPRMDSA-N 2 3 345.535 2.250 20 0 EEADHP C[C@@H]1CC[NH2+]CC[C@@H]1NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000422747672 240205807 /nfs/dbraw/zinc/20/58/07/240205807.db2.gz ZFPCTNKKLSOQDZ-UZLBHIALSA-N 2 3 331.504 2.121 20 0 EEADHP [NH3+]C[C@@H]1CCCC[C@@H]1NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000423029594 240334203 /nfs/dbraw/zinc/33/42/03/240334203.db2.gz IOHWIABDGPBSQR-DBVUQKKJSA-N 2 3 331.504 2.250 20 0 EEADHP [NH3+]C[C@@H]1CCCC[C@@H]1NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000423029594 240334212 /nfs/dbraw/zinc/33/42/12/240334212.db2.gz IOHWIABDGPBSQR-DBVUQKKJSA-N 2 3 331.504 2.250 20 0 EEADHP C[C@@H]([NH3+])C[C@H](C)NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000422701421 278309785 /nfs/dbraw/zinc/30/97/85/278309785.db2.gz BXMUHNMHGZFCQR-SJORKVTESA-N 2 3 349.519 2.392 20 0 EEADHP C[C@@H]([NH3+])C[C@H](C)NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000422701421 278309787 /nfs/dbraw/zinc/30/97/87/278309787.db2.gz BXMUHNMHGZFCQR-SJORKVTESA-N 2 3 349.519 2.392 20 0 EEADHP CN(c1ccccc1C[NH2+]CC[C@@H]1CC[NH2+]C1)C1CCN(C)CC1 ZINC000414835894 313100282 /nfs/dbraw/zinc/10/02/82/313100282.db2.gz SARMSXCUFMIRAA-KRWDZBQOSA-N 2 3 330.520 2.306 20 0 EEADHP C[NH+](C)CCOCC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000579369316 468351230 /nfs/dbraw/zinc/35/12/30/468351230.db2.gz LHSCYVDYZMVSFK-SLFFLAALSA-N 2 3 331.504 2.065 20 0 EEADHP CCOC(=O)C1([C@H](C)NC2CC[NH+](C(C)(C)C)CC2)CC[NH2+]CC1 ZINC000422988297 466688959 /nfs/dbraw/zinc/68/89/59/466688959.db2.gz KEVVTOIYYDRJIA-HNNXBMFYSA-N 2 3 339.524 2.160 20 0 EEADHP CC1(C)[NH2+]CC[C@@H]1NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000925476428 1206117016 /nfs/dbraw/zinc/11/70/16/1206117016.db2.gz BXDRUAJEGLYSQI-FQEVSTJZSA-N 2 3 344.547 2.315 20 0 EEADHP COc1ccc2c(c1)C1(C[C@H]2N[C@@H]2CCC[NH2+]CC2)CC[NH2+]CC1 ZINC001246127674 1310241757 /nfs/dbraw/zinc/24/17/57/1310241757.db2.gz OVIVUMOWRAGABJ-DNVCBOLYSA-N 2 3 329.488 2.493 20 0 EEADHP COC(=O)c1ccc(C[N@H+](C2CCNCC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001246441823 1310313357 /nfs/dbraw/zinc/31/33/57/1310313357.db2.gz KANNKDOUVZETCM-IYARVYRRSA-N 2 3 345.487 2.297 20 0 EEADHP COC(=O)c1ccc(C[N@@H+](C2CCNCC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001246441823 1310313365 /nfs/dbraw/zinc/31/33/65/1310313365.db2.gz KANNKDOUVZETCM-IYARVYRRSA-N 2 3 345.487 2.297 20 0 EEADHP [NH3+]CCCCN1CCN(C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001256604101 1318797693 /nfs/dbraw/zinc/79/76/93/1318797693.db2.gz JKBSHEAUZKVBQJ-UHFFFAOYSA-N 2 3 330.520 2.008 20 0 EEADHP CC[N@@H+]1CC[C@H](CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)C1 ZINC000849071701 1373204012 /nfs/dbraw/zinc/20/40/12/1373204012.db2.gz BDJFRXRIZZQXDT-GOSISDBHSA-N 2 3 343.519 2.107 20 0 EEADHP CC[N@H+]1CC[C@H](CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)C1 ZINC000849071701 1373204015 /nfs/dbraw/zinc/20/40/15/1373204015.db2.gz BDJFRXRIZZQXDT-GOSISDBHSA-N 2 3 343.519 2.107 20 0 EEADHP CCO[C@H](CC[NH+](C)C)CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422869084 466684959 /nfs/dbraw/zinc/68/49/59/466684959.db2.gz WCDGVERVFJPVIM-YVWKXTFCSA-N 2 3 347.503 2.189 20 0 EEADHP C[C@H]([NH2+]Cc1ccccc1CN1CC[C@H](O)C1)C1CC[NH+](C)CC1 ZINC000679769954 485811090 /nfs/dbraw/zinc/81/10/90/485811090.db2.gz AHCLHXKFXLIRKH-JXFKEZNVSA-N 2 3 331.504 2.073 20 0 EEADHP [NH3+]CCCCN1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001235525296 1305266252 /nfs/dbraw/zinc/26/62/52/1305266252.db2.gz HUQSJFOWEALXPT-PMACEKPBSA-N 2 3 335.536 2.186 20 0 EEADHP [NH3+]CCCCN1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001235525296 1305266258 /nfs/dbraw/zinc/26/62/58/1305266258.db2.gz HUQSJFOWEALXPT-PMACEKPBSA-N 2 3 335.536 2.186 20 0 EEADHP COc1ccccc1C1(CN[C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]CC1 ZINC001246414781 1310304481 /nfs/dbraw/zinc/30/44/81/1310304481.db2.gz IHWXUVKFISIUKB-BJWYYQGGSA-N 2 3 329.488 2.189 20 0 EEADHP CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000849105878 1339145430 /nfs/dbraw/zinc/14/54/30/1339145430.db2.gz GWXMDAGVZBMKST-ZWKOTPCHSA-N 2 3 335.540 2.382 20 0 EEADHP CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000849105878 1339145432 /nfs/dbraw/zinc/14/54/32/1339145432.db2.gz GWXMDAGVZBMKST-ZWKOTPCHSA-N 2 3 335.540 2.382 20 0 EEADHP CC(C)[NH+]1CCC(N2CCN(CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)CC1 ZINC001575696515 1343859172 /nfs/dbraw/zinc/85/91/72/1343859172.db2.gz FKMWPNNXHMHLRG-IHWFROFDSA-N 2 3 348.579 2.398 20 0 EEADHP CCN1CCN(Cc2ccccc2C[NH2+]C2CCC(C[NH3+])CC2)CC1 ZINC000422895077 240279706 /nfs/dbraw/zinc/27/97/06/240279706.db2.gz VFCBHZCAHOUSSW-UHFFFAOYSA-N 2 3 344.547 2.431 20 0 EEADHP CC[N@@H+]1CC[C@@H](NCC2([NH3+])CCN(Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000415139969 467499613 /nfs/dbraw/zinc/49/96/13/467499613.db2.gz YIRPNZDPVCNWJD-AZUAARDMSA-N 2 3 344.547 2.300 20 0 EEADHP CC[N@H+]1CC[C@@H](NCC2([NH3+])CCN(Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000415139969 467499615 /nfs/dbraw/zinc/49/96/15/467499615.db2.gz YIRPNZDPVCNWJD-AZUAARDMSA-N 2 3 344.547 2.300 20 0 EEADHP N[C@H](CCC[NH3+])C(=O)Nc1ccc2c(c1)CC[C@@H]([NH+]1CCCC1)CC2 ZINC001219486097 1298040004 /nfs/dbraw/zinc/04/00/04/1298040004.db2.gz AYYPNBVKRXPENA-RBUKOAKNSA-N 2 3 344.503 2.035 20 0 EEADHP c1ccc(CC2(C[NH2+][C@H]3C[C@H]4CCC[C@@H](C3)N4)CC[NH2+]CC2)nc1 ZINC001246421785 1310307585 /nfs/dbraw/zinc/30/75/85/1310307585.db2.gz PCEZCDXGWOCFEK-DZFIZOCASA-N 2 3 328.504 2.257 20 0 EEADHP CN(C)CC[N@@H+]1CCCC2(CC[NH+](CC(C)(C)CN(C)C)CC2)C1 ZINC001276658371 1324990937 /nfs/dbraw/zinc/99/09/37/1324990937.db2.gz LRSPTUYAMXEZLU-UHFFFAOYSA-N 2 3 338.584 2.314 20 0 EEADHP CN(C)CC[N@H+]1CCCC2(CC[NH+](CC(C)(C)CN(C)C)CC2)C1 ZINC001276658371 1324990940 /nfs/dbraw/zinc/99/09/40/1324990940.db2.gz LRSPTUYAMXEZLU-UHFFFAOYSA-N 2 3 338.584 2.314 20 0 EEADHP C[NH+](C)CC1CCN(C/C=C\C[NH+]2CCC(C[NH+](C)C)CC2)CC1 ZINC000340178910 465849733 /nfs/dbraw/zinc/84/97/33/465849733.db2.gz DOTOFRZZWYZXKH-WAYWQWQTSA-N 3 3 336.568 2.090 20 0 EEADHP c1c(C2CCN(C[C@H]3CCCC[NH2+]C3)CC2)n[nH]c1C1CC[NH2+]CC1 ZINC000903766042 1241875189 /nfs/dbraw/zinc/87/51/89/1241875189.db2.gz NLCHAZGYCONWOM-INIZCTEOSA-N 2 3 345.535 2.446 20 0 EEADHP CN1CCN(CC2(C)CC[NH+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)CC1 ZINC000923370908 789448168 /nfs/dbraw/zinc/44/81/68/789448168.db2.gz KWTBNTIEZGMJMW-IHWFROFDSA-N 2 3 348.579 2.257 20 0 EEADHP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H]2CCCN(C(C)C)C2)CC[NH2+]CC1 ZINC000422735552 240199284 /nfs/dbraw/zinc/19/92/84/240199284.db2.gz FEXVRIFKWUZMTF-IRXDYDNUSA-N 2 3 339.524 2.018 20 0 EEADHP C[C@H]1C[C@H](C[NH+]2CCN(CCN(C)Cc3ccccc3)CC2)CC[NH2+]1 ZINC000414696317 313065514 /nfs/dbraw/zinc/06/55/14/313065514.db2.gz PETHRVAYNMCKRK-PZJWPPBQSA-N 2 3 344.547 2.124 20 0 EEADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)NC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001220511506 1298441349 /nfs/dbraw/zinc/44/13/49/1298441349.db2.gz ZYSYFWZRGKVZOH-INIZCTEOSA-N 2 3 340.556 2.250 20 0 EEADHP CN1CCC([N@H+](C2CCNCC2)[C@H]2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC001246995937 1310497638 /nfs/dbraw/zinc/49/76/38/1310497638.db2.gz WBVJLXHPSFCYEF-PMACEKPBSA-N 2 3 334.552 2.057 20 0 EEADHP CN1CCC([N@@H+](C2CCNCC2)[C@H]2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC001246995937 1310497648 /nfs/dbraw/zinc/49/76/48/1310497648.db2.gz WBVJLXHPSFCYEF-PMACEKPBSA-N 2 3 334.552 2.057 20 0 EEADHP C[NH+]1CCC(C)(C[NH+]2CCC3(CN(CCn4ccnc4)C3)CC2)CC1 ZINC001276454493 1322100481 /nfs/dbraw/zinc/10/04/81/1322100481.db2.gz ZEURZMBWTFISBK-UHFFFAOYSA-N 2 3 345.535 2.013 20 0 EEADHP CCOC(=O)C1([C@H](C)[NH2+]Cc2cccc(CN(C)C)c2)CC[NH2+]CC1 ZINC000422807310 240239204 /nfs/dbraw/zinc/23/92/04/240239204.db2.gz MDTHQALMZSNJRX-INIZCTEOSA-N 2 3 347.503 2.159 20 0 EEADHP CN(c1ccccc1C[NH2+]CC[C@H]1CC[NH2+]C1)C1CCN(C)CC1 ZINC000414835896 313100578 /nfs/dbraw/zinc/10/05/78/313100578.db2.gz SARMSXCUFMIRAA-QGZVFWFLSA-N 2 3 330.520 2.306 20 0 EEADHP C[C@@H]1C[C@H](C)C[N@@H+](CCCCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422874287 466686498 /nfs/dbraw/zinc/68/64/98/466686498.db2.gz CQPGLDONIFLLPW-USYVTKNRSA-N 2 3 337.552 2.491 20 0 EEADHP C[C@@H]1C[C@H](C)C[N@H+](CCCCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422874287 466686502 /nfs/dbraw/zinc/68/65/02/466686502.db2.gz CQPGLDONIFLLPW-USYVTKNRSA-N 2 3 337.552 2.491 20 0 EEADHP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000423579863 466777878 /nfs/dbraw/zinc/77/78/78/466777878.db2.gz WUBIXXYHIRNRJU-GGPKGHCWSA-N 2 3 344.547 2.298 20 0 EEADHP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000423579863 466777883 /nfs/dbraw/zinc/77/78/83/466777883.db2.gz WUBIXXYHIRNRJU-GGPKGHCWSA-N 2 3 344.547 2.298 20 0 EEADHP CN(c1ccccc1CN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)C1CC[NH+](C)CC1 ZINC000435392002 467465969 /nfs/dbraw/zinc/46/59/69/467465969.db2.gz VGXSLSFRSSDBBE-FFZOFVMBSA-N 2 3 342.531 2.386 20 0 EEADHP [NH3+]CCCNCCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001246453825 1310314872 /nfs/dbraw/zinc/31/48/72/1310314872.db2.gz PTRHNPUPUOITKL-MZADTFQBSA-N 2 3 344.547 2.490 20 0 EEADHP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNCc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC001576591675 1403587278 /nfs/dbraw/zinc/58/72/78/1403587278.db2.gz IPVJBPNXISMINH-FGTMMUONSA-N 2 3 348.539 2.050 20 0 EEADHP C[C@@H]1C[C@H](C)C[N@H+](CCCCNCc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC001576591675 1403587281 /nfs/dbraw/zinc/58/72/81/1403587281.db2.gz IPVJBPNXISMINH-FGTMMUONSA-N 2 3 348.539 2.050 20 0 EEADHP C[C@@H]1C[C@@H](N2CCN(CCCC[NH3+])CC2)C[N@@H+]1Cc1ccccc1 ZINC001171742474 796735407 /nfs/dbraw/zinc/73/54/07/796735407.db2.gz VQFKFQAPMCWVTE-UYAOXDASSA-N 2 3 330.520 2.006 20 0 EEADHP C[C@@H]1C[C@@H](N2CCN(CCCC[NH3+])CC2)C[N@H+]1Cc1ccccc1 ZINC001171742474 796735412 /nfs/dbraw/zinc/73/54/12/796735412.db2.gz VQFKFQAPMCWVTE-UYAOXDASSA-N 2 3 330.520 2.006 20 0 EEADHP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423439962 296626122 /nfs/dbraw/zinc/62/61/22/296626122.db2.gz SQJDRUAONIRFLX-DMUMMCEESA-N 2 3 327.472 2.220 20 0 EEADHP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3cccc4c3CCNC4)C2)C1 ZINC000662283576 472056262 /nfs/dbraw/zinc/05/62/62/472056262.db2.gz AUHARQAXDNHSCJ-QWFCFKBJSA-N 2 3 329.488 2.051 20 0 EEADHP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3cccc4c3CCNC4)C2)C1 ZINC000662283576 472056267 /nfs/dbraw/zinc/05/62/67/472056267.db2.gz AUHARQAXDNHSCJ-QWFCFKBJSA-N 2 3 329.488 2.051 20 0 EEADHP C[C@@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)C1CC[NH+](C)CC1 ZINC000675823679 486078317 /nfs/dbraw/zinc/07/83/17/486078317.db2.gz XOAXOKCGNJEGCN-QGZVFWFLSA-N 2 3 333.520 2.489 20 0 EEADHP Clc1cccc(CC2([NH2+][C@H]3CCOC4(C[NH2+]C4)C3)CCNCC2)c1 ZINC001246426512 1310309425 /nfs/dbraw/zinc/30/94/25/1310309425.db2.gz CIEUCMDZQJSWKJ-KRWDZBQOSA-N 2 3 349.906 2.115 20 0 EEADHP C([C@@H]1CC2(CO1)CC[NH2+]CC2)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000903756602 1241847529 /nfs/dbraw/zinc/84/75/29/1241847529.db2.gz TUOGCVHYGSCTTD-NZSAHSFTSA-N 2 3 333.520 2.094 20 0 EEADHP C([C@@H]1CC2(CO1)CC[NH2+]CC2)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000903756602 1241847539 /nfs/dbraw/zinc/84/75/39/1241847539.db2.gz TUOGCVHYGSCTTD-NZSAHSFTSA-N 2 3 333.520 2.094 20 0 EEADHP C[C@@H](CN1CC[NH2+]CC1)N[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001246082795 1310232180 /nfs/dbraw/zinc/23/21/80/1310232180.db2.gz YIPCIZCNUNNHQZ-ICSRJNTNSA-N 2 3 344.547 2.313 20 0 EEADHP C[C@@H](CN1CC[NH2+]CC1)N[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001246082795 1310232186 /nfs/dbraw/zinc/23/21/86/1310232186.db2.gz YIPCIZCNUNNHQZ-ICSRJNTNSA-N 2 3 344.547 2.313 20 0 EEADHP CC[NH+](CC)C[C@H](O)CNCC1CC[NH+](CC2CCCC2)CC1 ZINC001253211098 1317799010 /nfs/dbraw/zinc/79/90/10/1317799010.db2.gz AHZVNNQVNDHMQJ-LJQANCHMSA-N 2 3 325.541 2.181 20 0 EEADHP C[NH+]1CCC(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)CC1 ZINC001256207936 1318679764 /nfs/dbraw/zinc/67/97/64/1318679764.db2.gz RWMGQLUXBPBUAS-UHFFFAOYSA-N 2 3 328.504 2.464 20 0 EEADHP C[NH+]1CCC(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)CC1 ZINC001256207936 1318679780 /nfs/dbraw/zinc/67/97/80/1318679780.db2.gz RWMGQLUXBPBUAS-UHFFFAOYSA-N 2 3 328.504 2.464 20 0 EEADHP CN1CCN(Cc2cccc(C[NH2+][C@H]3CCCC[C@H]3C[NH3+])c2)CC1 ZINC001327837716 1334353283 /nfs/dbraw/zinc/35/32/83/1334353283.db2.gz BCFYCQMJLIFTIE-PMACEKPBSA-N 2 3 330.520 2.041 20 0 EEADHP C[C@H]1CN(CC2CC[NH+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)C[C@H](C)O1 ZINC001552973452 1125460361 /nfs/dbraw/zinc/46/03/61/1125460361.db2.gz HDUUDJFRDJRJAE-XBPNIJIESA-N 2 3 335.536 2.338 20 0 EEADHP c1ccc(CN2CC[C@H](C[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000423089011 240361260 /nfs/dbraw/zinc/36/12/60/240361260.db2.gz UFUQUDAJSLAIAQ-PLACYPQZSA-N 2 3 343.515 2.255 20 0 EEADHP c1cc(CN2CCC(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)ccn1 ZINC000665240323 471977221 /nfs/dbraw/zinc/97/72/21/471977221.db2.gz IHRDOZILZGJPTJ-HSALFYBXSA-N 2 3 328.504 2.271 20 0 EEADHP CC1(C)C[C@@H]([NH3+])C[C@H](NCc2ccc(CN3CC[NH2+]CC3)cc2)C1 ZINC000925819784 1206157476 /nfs/dbraw/zinc/15/74/76/1206157476.db2.gz ZOYAUBYTAZLTHZ-OALUTQOASA-N 2 3 330.520 2.087 20 0 EEADHP C(CN1CC[C@@H](C[NH+]2CCCC2)C1)CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000247071798 160308895 /nfs/dbraw/zinc/30/88/95/160308895.db2.gz SFMBPSDQDBULBS-SFTDATJTSA-N 2 3 348.579 2.212 20 0 EEADHP NC[C@H]1CCC[C@@H]1[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000423015625 295270842 /nfs/dbraw/zinc/27/08/42/295270842.db2.gz LBGYWAMBILKMEF-QUCCMNQESA-N 2 3 331.504 2.421 20 0 EEADHP COc1ccc([C@H](C[NH3+])CN2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662294728 472058524 /nfs/dbraw/zinc/05/85/24/472058524.db2.gz SFCWHPOHGIWHLJ-RBUKOAKNSA-N 2 3 331.504 2.449 20 0 EEADHP CCN(CC)C[C@H](O)C[NH2+][C@@H](c1cccc(F)c1)C1CC[NH2+]CC1 ZINC001245997227 1310204558 /nfs/dbraw/zinc/20/45/58/1310204558.db2.gz BSEZAEXNTYWYPS-RTBURBONSA-N 2 3 337.483 2.159 20 0 EEADHP O[C@@]1(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CCCNC1 ZINC000405070889 1409791508 /nfs/dbraw/zinc/79/15/08/1409791508.db2.gz DZQHLSKZIPMDJI-NRFANRHFSA-N 2 3 343.515 2.089 20 0 EEADHP O[C@@]1(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CCCNC1 ZINC000405070889 1409791512 /nfs/dbraw/zinc/79/15/12/1409791512.db2.gz DZQHLSKZIPMDJI-NRFANRHFSA-N 2 3 343.515 2.089 20 0 EEADHP CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H](CCC[NH3+])NC(=O)OC(C)(C)C)C2 ZINC001172116615 796892271 /nfs/dbraw/zinc/89/22/71/796892271.db2.gz HYAFZHSHDPBGED-QKPAOTATSA-N 2 3 340.512 2.181 20 0 EEADHP C[C@@H](NCCc1ccc(OCC[NH+]2C[C@@H](C)[C@H](C)C2)cc1)C1C[NH2+]C1 ZINC000423016705 240329248 /nfs/dbraw/zinc/32/92/48/240329248.db2.gz NEVMIKOOBPSHSW-KZNAEPCWSA-N 2 3 345.531 2.393 20 0 EEADHP C[C@@H]([NH2+]CCc1ccc(OCC[NH+]2C[C@@H](C)[C@H](C)C2)cc1)C1CNC1 ZINC000423016705 240329256 /nfs/dbraw/zinc/32/92/56/240329256.db2.gz NEVMIKOOBPSHSW-KZNAEPCWSA-N 2 3 345.531 2.393 20 0 EEADHP CC1CN(CC[C@H]2CCC[N@@H+]2C)CC[NH+](CC[C@H]2CCCN2C)C1 ZINC000451895426 243297884 /nfs/dbraw/zinc/29/78/84/243297884.db2.gz XNDUXZUMOLKRSZ-WOJBJXKFSA-N 2 3 336.568 2.209 20 0 EEADHP CC1CN(CC[C@H]2CCC[N@H+]2C)CC[NH+](CC[C@H]2CCCN2C)C1 ZINC000451895426 243297890 /nfs/dbraw/zinc/29/78/90/243297890.db2.gz XNDUXZUMOLKRSZ-WOJBJXKFSA-N 2 3 336.568 2.209 20 0 EEADHP CC1CN(CC[C@H]2CCC[NH+]2C)CC[N@H+](CC[C@H]2CCCN2C)C1 ZINC000451895426 243297896 /nfs/dbraw/zinc/29/78/96/243297896.db2.gz XNDUXZUMOLKRSZ-WOJBJXKFSA-N 2 3 336.568 2.209 20 0 EEADHP CC1CN(CC[C@H]2CCC[NH+]2C)CC[N@@H+](CC[C@H]2CCCN2C)C1 ZINC000451895426 243297902 /nfs/dbraw/zinc/29/79/02/243297902.db2.gz XNDUXZUMOLKRSZ-WOJBJXKFSA-N 2 3 336.568 2.209 20 0 EEADHP CC1CN(CC[C@H]2CCC[NH+]2C)CCN(CC[C@H]2CCC[N@@H+]2C)C1 ZINC000451895426 243297906 /nfs/dbraw/zinc/29/79/06/243297906.db2.gz XNDUXZUMOLKRSZ-WOJBJXKFSA-N 2 3 336.568 2.209 20 0 EEADHP CC1CN(CC[C@H]2CCC[NH+]2C)CCN(CC[C@H]2CCC[N@H+]2C)C1 ZINC000451895426 243297913 /nfs/dbraw/zinc/29/79/13/243297913.db2.gz XNDUXZUMOLKRSZ-WOJBJXKFSA-N 2 3 336.568 2.209 20 0 EEADHP CN(C)Cc1cc(C[NH+](C)C)cc(CN(C)C)c1O[C@H]1CCC[NH2+]C1 ZINC001218282025 1297621613 /nfs/dbraw/zinc/62/16/13/1297621613.db2.gz NWBCMLKPOADDOW-IBGZPJMESA-N 2 3 348.535 2.002 20 0 EEADHP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(CC1(C)CC[NH+](C)CC1)C2 ZINC001208106219 1324318399 /nfs/dbraw/zinc/31/83/99/1324318399.db2.gz DGGRUNPMWBXWHJ-CTNGQTDRSA-N 2 3 349.563 2.399 20 0 EEADHP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(CC1(C)CC[NH+](C)CC1)C2 ZINC001208106219 1324318407 /nfs/dbraw/zinc/31/84/07/1324318407.db2.gz DGGRUNPMWBXWHJ-CTNGQTDRSA-N 2 3 349.563 2.399 20 0 EEADHP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000923324509 789382987 /nfs/dbraw/zinc/38/29/87/789382987.db2.gz WSINPVNUHQADEW-OWBSXZKWSA-N 2 3 348.579 2.398 20 0 EEADHP CCN(C)C[C@@H]1CC[N@H+](CC(C)CN2CC[C@@H](C[NH+](C)CC)C2)C1 ZINC000245448752 160236371 /nfs/dbraw/zinc/23/63/71/160236371.db2.gz NCMFOABHTDHHOX-PMACEKPBSA-N 2 3 338.584 2.170 20 0 EEADHP CCN(C)C[C@@H]1CC[N@@H+](CC(C)CN2CC[C@@H](C[NH+](C)CC)C2)C1 ZINC000245448752 160236372 /nfs/dbraw/zinc/23/63/72/160236372.db2.gz NCMFOABHTDHHOX-PMACEKPBSA-N 2 3 338.584 2.170 20 0 EEADHP CCN(C)C[C@@H]1CC[NH+](CC(C)CN2CC[C@@H](C[N@H+](C)CC)C2)C1 ZINC000245448752 160236373 /nfs/dbraw/zinc/23/63/73/160236373.db2.gz NCMFOABHTDHHOX-PMACEKPBSA-N 2 3 338.584 2.170 20 0 EEADHP CCN(C)C[C@@H]1CC[NH+](CC(C)CN2CC[C@@H](C[N@@H+](C)CC)C2)C1 ZINC000245448752 160236374 /nfs/dbraw/zinc/23/63/74/160236374.db2.gz NCMFOABHTDHHOX-PMACEKPBSA-N 2 3 338.584 2.170 20 0 EEADHP CC[NH+](C)C[C@@H]1CCN(CC(C)CN2CC[C@@H](C[N@@H+](C)CC)C2)C1 ZINC000245448752 160236375 /nfs/dbraw/zinc/23/63/75/160236375.db2.gz NCMFOABHTDHHOX-PMACEKPBSA-N 2 3 338.584 2.170 20 0 EEADHP CC[NH+](C)C[C@@H]1CCN(CC(C)CN2CC[C@@H](C[N@H+](C)CC)C2)C1 ZINC000245448752 160236376 /nfs/dbraw/zinc/23/63/76/160236376.db2.gz NCMFOABHTDHHOX-PMACEKPBSA-N 2 3 338.584 2.170 20 0 EEADHP [NH3+][C@H]1CCCO[C@@H]1C1CCN(Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000582127504 324386570 /nfs/dbraw/zinc/38/65/70/324386570.db2.gz XHVZKBIKEIUEFC-VQTJNVASSA-N 2 3 329.488 2.051 20 0 EEADHP C[C@H](C[C@H]1CCC[NH2+]1)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000415126267 467495653 /nfs/dbraw/zinc/49/56/53/467495653.db2.gz GFQAOBNLFRRWGM-IEBWSBKVSA-N 2 3 330.520 2.100 20 0 EEADHP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3ccc4c(c3)CNCC4)C2)C1 ZINC000652350112 471276607 /nfs/dbraw/zinc/27/66/07/471276607.db2.gz GNPOLCYIUJMQJO-MISYRCLQSA-N 2 3 329.488 2.051 20 0 EEADHP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ccc4c(c3)CNCC4)C2)C1 ZINC000652350112 471276608 /nfs/dbraw/zinc/27/66/08/471276608.db2.gz GNPOLCYIUJMQJO-MISYRCLQSA-N 2 3 329.488 2.051 20 0 EEADHP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3cccc4c3CCNC4)C2)C1 ZINC000662283572 472056281 /nfs/dbraw/zinc/05/62/81/472056281.db2.gz AUHARQAXDNHSCJ-GGPKGHCWSA-N 2 3 329.488 2.051 20 0 EEADHP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3cccc4c3CCNC4)C2)C1 ZINC000662283572 472056284 /nfs/dbraw/zinc/05/62/84/472056284.db2.gz AUHARQAXDNHSCJ-GGPKGHCWSA-N 2 3 329.488 2.051 20 0 EEADHP CC(C)(C)[C@@H]1C[C@@H](NCC2(c3ccccn3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246429074 1310308561 /nfs/dbraw/zinc/30/85/61/1310308561.db2.gz RKOYMWGVPAZEKK-WMZOPIPTSA-N 2 3 330.520 2.459 20 0 EEADHP CC1(C)C[C@@H]([NH2+]CCCNCCC[NH3+])CCN1Cc1ccccc1 ZINC001246453943 1310315071 /nfs/dbraw/zinc/31/50/71/1310315071.db2.gz RJYNXFWXMNWOGP-IBGZPJMESA-N 2 3 332.536 2.348 20 0 EEADHP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000817928302 785046546 /nfs/dbraw/zinc/04/65/46/785046546.db2.gz TWCXRFPZXPRLEC-LEAZDLGRSA-N 2 3 331.504 2.241 20 0 EEADHP CC1(C)[C@@H]2NCCC[C@H]2[C@@H]1[NH2+]C1CCC(C)([NH+]2CCOCC2)CC1 ZINC001551381840 1124408333 /nfs/dbraw/zinc/40/83/33/1124408333.db2.gz YRNSPWFRYHFRES-MOXMWUHRSA-N 2 3 335.536 2.386 20 0 EEADHP CCN1CCN(Cc2ccc(C[NH2+]C3CCC(C[NH3+])CC3)cc2)CC1 ZINC000422896377 240279998 /nfs/dbraw/zinc/27/99/98/240279998.db2.gz XZLOUMBDAFHEBC-UHFFFAOYSA-N 2 3 344.547 2.431 20 0 EEADHP OC1CCN(Cc2ccc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)cc2)CC1 ZINC000647786780 470984561 /nfs/dbraw/zinc/98/45/61/470984561.db2.gz YNJQPGZPZNTWOC-VAMGGRTRSA-N 2 3 343.515 2.121 20 0 EEADHP C[C@H](NCc1ccncc1OCCC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000676064265 486128220 /nfs/dbraw/zinc/12/82/20/486128220.db2.gz QSPSVQVGJWLVOU-INIZCTEOSA-N 2 3 334.508 2.232 20 0 EEADHP N[C@H](CCC[NH3+])C(=O)Nc1ccc2c(c1)CC[C@H]([NH+]1CCCC1)CC2 ZINC001219486098 1298040271 /nfs/dbraw/zinc/04/02/71/1298040271.db2.gz AYYPNBVKRXPENA-RTBURBONSA-N 2 3 344.503 2.035 20 0 EEADHP COc1ccc2c(c1)C1(CC[NH2+]CC1)N(CCC13CC([NH3+])(C1)C3)CC2 ZINC001235021616 1305089243 /nfs/dbraw/zinc/08/92/43/1305089243.db2.gz MLIHIJRWTXPHNC-UHFFFAOYSA-N 2 3 341.499 2.404 20 0 EEADHP [NH3+]C[C@@H]1CCCC[N@H+](CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC001246028217 1310215094 /nfs/dbraw/zinc/21/50/94/1310215094.db2.gz AXMFIOGJSJWGOF-IBGZPJMESA-N 2 3 331.504 2.074 20 0 EEADHP [NH3+]C[C@@H]1CCCC[N@@H+](CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC001246028217 1310215098 /nfs/dbraw/zinc/21/50/98/1310215098.db2.gz AXMFIOGJSJWGOF-IBGZPJMESA-N 2 3 331.504 2.074 20 0 EEADHP COc1ccc([C@H](CN)C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)cc1 ZINC001551396337 1124415604 /nfs/dbraw/zinc/41/56/04/1124415604.db2.gz BLHRUPVGMCYSKQ-OKYOBFRVSA-N 2 3 331.504 2.400 20 0 EEADHP COc1ccc([C@H](CN)C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)cc1 ZINC001551396337 1124415608 /nfs/dbraw/zinc/41/56/08/1124415608.db2.gz BLHRUPVGMCYSKQ-OKYOBFRVSA-N 2 3 331.504 2.400 20 0 EEADHP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000422833914 240251215 /nfs/dbraw/zinc/25/12/15/240251215.db2.gz NBKWOYOEXLQFAS-MOXGXCLJSA-N 2 3 327.472 2.316 20 0 EEADHP C[C@H]1C[C@@H]([NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)CCN1C ZINC000423576373 466777142 /nfs/dbraw/zinc/77/71/42/466777142.db2.gz RBNCVDPAGZAVEZ-HKUYNNGSSA-N 2 3 330.520 2.052 20 0 EEADHP CN(c1ccccc1CN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)C1CC[NH+](C)CC1 ZINC000435392004 467466043 /nfs/dbraw/zinc/46/60/43/467466043.db2.gz VGXSLSFRSSDBBE-VDGAXYAQSA-N 2 3 342.531 2.386 20 0 EEADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1ccc([C@H]2CC[NH2+]C2)cc1 ZINC001219000476 1297900410 /nfs/dbraw/zinc/90/04/10/1297900410.db2.gz YZDNMVOMLOESMV-WMZOPIPTSA-N 2 3 332.492 2.198 20 0 EEADHP [NH3+]C[C@H]1CCCC[N@H+](CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC001246028221 1310214632 /nfs/dbraw/zinc/21/46/32/1310214632.db2.gz AXMFIOGJSJWGOF-LJQANCHMSA-N 2 3 331.504 2.074 20 0 EEADHP [NH3+]C[C@H]1CCCC[N@@H+](CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC001246028221 1310214637 /nfs/dbraw/zinc/21/46/37/1310214637.db2.gz AXMFIOGJSJWGOF-LJQANCHMSA-N 2 3 331.504 2.074 20 0 EEADHP C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[C@H]([NH+]3CCN(CC4CC4)CC3)CC2)CN1 ZINC001246292123 1310274390 /nfs/dbraw/zinc/27/43/90/1310274390.db2.gz KDBAOHVBZBFIKM-VBSBHUPXSA-N 2 3 334.552 2.055 20 0 EEADHP COc1ccccc1CC1(C[NH2+][C@H]2CCN[C@@H](C)C2)CC[NH2+]CC1 ZINC001246419277 1310306318 /nfs/dbraw/zinc/30/63/18/1310306318.db2.gz GXQCALCOMGFKTD-WMZOPIPTSA-N 2 3 331.504 2.338 20 0 EEADHP CC(C)N(Cc1ccccc1N1CC[NH2+]CC1)[C@H]1CCC[NH2+]CC1 ZINC001206592242 1323539205 /nfs/dbraw/zinc/53/92/05/1323539205.db2.gz ZJSMLWYLJLKULC-IBGZPJMESA-N 2 3 330.520 2.449 20 0 EEADHP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(CC1CC[NH+](C)CC1)C2 ZINC001207396712 1323957721 /nfs/dbraw/zinc/95/77/21/1323957721.db2.gz RFWNECSSPIHAGF-PMACEKPBSA-N 2 3 335.536 2.009 20 0 EEADHP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(CC1CC[NH+](C)CC1)C2 ZINC001207396712 1323957723 /nfs/dbraw/zinc/95/77/23/1323957723.db2.gz RFWNECSSPIHAGF-PMACEKPBSA-N 2 3 335.536 2.009 20 0 EEADHP CC1(C)[C@@H]2NCCC[C@@H]2[C@H]1[NH2+]C1CCC(C)([NH+]2CCOCC2)CC1 ZINC001551381838 1124408173 /nfs/dbraw/zinc/40/81/73/1124408173.db2.gz YRNSPWFRYHFRES-KZIZELGASA-N 2 3 335.536 2.386 20 0 EEADHP C[C@@H](CCN1CCC(C[NH+](C)C)CC1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000431601310 539948478 /nfs/dbraw/zinc/94/84/78/539948478.db2.gz DLXYKWWTFZJVMG-SFHVURJKSA-N 3 3 338.584 2.312 20 0 EEADHP C[C@@H](CC[NH+]1CCC(C[NH+](C)C)CC1)N1CCC(C[NH+](C)C)CC1 ZINC000431601310 539948480 /nfs/dbraw/zinc/94/84/80/539948480.db2.gz DLXYKWWTFZJVMG-SFHVURJKSA-N 3 3 338.584 2.312 20 0 EEADHP CCN1CCN(c2ccccc2C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000415009294 467467594 /nfs/dbraw/zinc/46/75/94/467467594.db2.gz NUYLBZBTEZYANY-VQTJNVASSA-N 2 3 342.531 2.306 20 0 EEADHP CC(C)N1CCN(CCC[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)CC1 ZINC000662293711 472059261 /nfs/dbraw/zinc/05/92/61/472059261.db2.gz MLKZYNJJRCWVKH-FQEVSTJZSA-N 2 3 336.568 2.114 20 0 EEADHP CC(C)N1CCN(CCC[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)CC1 ZINC000662293711 472059267 /nfs/dbraw/zinc/05/92/67/472059267.db2.gz MLKZYNJJRCWVKH-FQEVSTJZSA-N 2 3 336.568 2.114 20 0 EEADHP [NH3+][C@H]1CC[C@H](N(Cc2ccc3n2CC[NH2+]C3)Cc2ccncc2)CC1 ZINC001236562685 1305598982 /nfs/dbraw/zinc/59/89/82/1305598982.db2.gz PWCRKSARYOGRRB-IYARVYRRSA-N 2 3 339.487 2.258 20 0 EEADHP CCCC[C@@H]1C[C@@H](N[C@H](CC(=O)OCC)C2CC[NH2+]CC2)CC[NH2+]1 ZINC001246231654 1310263509 /nfs/dbraw/zinc/26/35/09/1310263509.db2.gz WAQKOXNEDQCFCH-FGTMMUONSA-N 2 3 339.524 2.208 20 0 EEADHP C[NH2+]C1CCC([NH2+]C2(Cc3cccc(OC)c3)CCNCC2)CC1 ZINC001246378487 1310294287 /nfs/dbraw/zinc/29/42/87/1310294287.db2.gz RGZXYCLATPKFEL-UHFFFAOYSA-N 2 3 331.504 2.480 20 0 EEADHP COc1ccc(CC2(C[NH2+][C@H]3CCN[C@@H](C)C3)CC[NH2+]CC2)cc1 ZINC001246394488 1310299254 /nfs/dbraw/zinc/29/92/54/1310299254.db2.gz UOVOOLCXPMDREU-WMZOPIPTSA-N 2 3 331.504 2.338 20 0 EEADHP COC(=O)c1cccc(C[N@H+](C2CCNCC2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001246440867 1310312228 /nfs/dbraw/zinc/31/22/28/1310312228.db2.gz GFBWHJZNYGUIEA-IYARVYRRSA-N 2 3 345.487 2.297 20 0 EEADHP COC(=O)c1cccc(C[N@@H+](C2CCNCC2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001246440867 1310312240 /nfs/dbraw/zinc/31/22/40/1310312240.db2.gz GFBWHJZNYGUIEA-IYARVYRRSA-N 2 3 345.487 2.297 20 0 EEADHP C[C@@H]([NH2+]Cc1cccc(CN2CCN(C)CC2)c1)C1CC[NH+](C)CC1 ZINC001319205830 1332665336 /nfs/dbraw/zinc/66/53/36/1332665336.db2.gz FMPNOHMTDXAQJJ-GOSISDBHSA-N 2 3 344.547 2.254 20 0 EEADHP CN1CCC[C@@H]1CC[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000692667023 1410399173 /nfs/dbraw/zinc/39/91/73/1410399173.db2.gz PAIONRQHQDHWNE-LJQANCHMSA-N 2 3 331.504 2.087 20 0 EEADHP CSC1(C[NH2+]C2CCN(c3ccncc3)CC2)CC[NH+](C)CC1 ZINC000459561977 245166462 /nfs/dbraw/zinc/16/64/62/245166462.db2.gz MMCNXKSNXLOHFR-UHFFFAOYSA-N 2 3 334.533 2.467 20 0 EEADHP CN(Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262182696 463966089 /nfs/dbraw/zinc/96/60/89/463966089.db2.gz WWUHFPGXZFWFTG-HXUWFJFHSA-N 2 3 344.547 2.124 20 0 EEADHP CN(Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262182696 463966095 /nfs/dbraw/zinc/96/60/95/463966095.db2.gz WWUHFPGXZFWFTG-HXUWFJFHSA-N 2 3 344.547 2.124 20 0 EEADHP C[C@H](CNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1)N1CCCC1 ZINC000849061529 1338834564 /nfs/dbraw/zinc/83/45/64/1338834564.db2.gz LKTGJKINQHLBJT-QGZVFWFLSA-N 2 3 343.519 2.249 20 0 EEADHP CC[NH+](CC)CCOCCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423040691 240340325 /nfs/dbraw/zinc/34/03/25/240340325.db2.gz UTZHXAFPWWWPSE-AZUAARDMSA-N 2 3 347.503 2.190 20 0 EEADHP C[C@@H]([NH3+])C[C@@H](C)NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000422701419 466680615 /nfs/dbraw/zinc/68/06/15/466680615.db2.gz BXMUHNMHGZFCQR-IAGOWNOFSA-N 2 3 349.519 2.392 20 0 EEADHP C[C@@H]([NH3+])C[C@@H](C)NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000422701419 466680621 /nfs/dbraw/zinc/68/06/21/466680621.db2.gz BXMUHNMHGZFCQR-IAGOWNOFSA-N 2 3 349.519 2.392 20 0 EEADHP OC1CCN(Cc2ccc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)cc2)CC1 ZINC000647786781 470984383 /nfs/dbraw/zinc/98/43/83/470984383.db2.gz YNJQPGZPZNTWOC-XUVXKRRUSA-N 2 3 343.515 2.121 20 0 EEADHP CC[NH+](CC)CCO[C@@H]1CCN(Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662265024 472051050 /nfs/dbraw/zinc/05/10/50/472051050.db2.gz UBQPWTJBBMQSNP-LJQANCHMSA-N 2 3 331.504 2.265 20 0 EEADHP CN(C)[C@H]1CCC[C@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000715256028 1190938506 /nfs/dbraw/zinc/93/85/06/1190938506.db2.gz SAESKBHQZVXLLK-PMACEKPBSA-N 2 3 345.531 2.476 20 0 EEADHP c1ccc([C@@]23C[NH2+]C[C@@H]2CN(CC2CC4(C2)CC[NH2+]CC4)C3)cc1 ZINC001236012344 1305476389 /nfs/dbraw/zinc/47/63/89/1305476389.db2.gz IQTFZNXXXDMUGE-CTNGQTDRSA-N 2 3 325.500 2.239 20 0 EEADHP COc1ccc([C@H](CN)C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)cc1 ZINC001551396335 1124415246 /nfs/dbraw/zinc/41/52/46/1124415246.db2.gz BLHRUPVGMCYSKQ-INDMIFKZSA-N 2 3 331.504 2.400 20 0 EEADHP COc1ccc([C@H](CN)C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)cc1 ZINC001551396335 1124415249 /nfs/dbraw/zinc/41/52/49/1124415249.db2.gz BLHRUPVGMCYSKQ-INDMIFKZSA-N 2 3 331.504 2.400 20 0 EEADHP O[C@@H]1CCC[C@@H]1N1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000422993689 240320518 /nfs/dbraw/zinc/32/05/18/240320518.db2.gz TYPVMNASOSDCBZ-UJMXGEILSA-N 2 3 335.536 2.265 20 0 EEADHP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@H](C)CN2CCCCC2)CC[NH2+]CC1 ZINC000422720276 285662790 /nfs/dbraw/zinc/66/27/90/285662790.db2.gz ZBLDVINKNMPQKN-IAGOWNOFSA-N 2 3 339.524 2.019 20 0 EEADHP CCN1CCC([NH+](C)C/C=C/C[N@@H+](C)C2CCN(CC)CC2)CC1 ZINC000157483771 463135542 /nfs/dbraw/zinc/13/55/42/463135542.db2.gz KHQACZAARLHDDL-BQYQJAHWSA-N 2 3 336.568 2.375 20 0 EEADHP CCN1CCC([NH+](C)C/C=C/C[N@H+](C)C2CCN(CC)CC2)CC1 ZINC000157483771 463135545 /nfs/dbraw/zinc/13/55/45/463135545.db2.gz KHQACZAARLHDDL-BQYQJAHWSA-N 2 3 336.568 2.375 20 0 EEADHP CN(C)[C@@H]1CCC[C@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000715256081 1190938609 /nfs/dbraw/zinc/93/86/09/1190938609.db2.gz SAESKBHQZVXLLK-VQTJNVASSA-N 2 3 345.531 2.476 20 0 EEADHP CN1CCC([NH+]2CCC3(CCC[N@H+](CCn4ccnc4)C3)CC2)CC1 ZINC001277626866 1304032082 /nfs/dbraw/zinc/03/20/82/1304032082.db2.gz FLCJDZORWZVZMN-UHFFFAOYSA-N 2 3 345.535 2.155 20 0 EEADHP CN1CCC([NH+]2CCC3(CCC[N@@H+](CCn4ccnc4)C3)CC2)CC1 ZINC001277626866 1304032086 /nfs/dbraw/zinc/03/20/86/1304032086.db2.gz FLCJDZORWZVZMN-UHFFFAOYSA-N 2 3 345.535 2.155 20 0 EEADHP C[C@@H]1C[C@@H](C)C[NH+](CCCCNCc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC001576591681 1403587481 /nfs/dbraw/zinc/58/74/81/1403587481.db2.gz IPVJBPNXISMINH-KZNAEPCWSA-N 2 3 348.539 2.050 20 0 EEADHP C[C@H]([NH3+])C[C@H](C)NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000422701420 240183432 /nfs/dbraw/zinc/18/34/32/240183432.db2.gz BXMUHNMHGZFCQR-IRXDYDNUSA-N 2 3 349.519 2.392 20 0 EEADHP C[C@H]([NH3+])C[C@H](C)NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000422701420 240183439 /nfs/dbraw/zinc/18/34/39/240183439.db2.gz BXMUHNMHGZFCQR-IRXDYDNUSA-N 2 3 349.519 2.392 20 0 EEADHP [NH3+]CC1CCC([NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)CC1 ZINC000422746239 240205584 /nfs/dbraw/zinc/20/55/84/240205584.db2.gz WGVDSGKJVYEFKM-UHFFFAOYSA-N 2 3 331.504 2.250 20 0 EEADHP C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000422832708 240251874 /nfs/dbraw/zinc/25/18/74/240251874.db2.gz VKESNRCYWWRFMF-BMGDILEWSA-N 2 3 337.533 2.302 20 0 EEADHP C[C@@H]1CC[NH2+]CC[C@H]1NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000423034475 240336943 /nfs/dbraw/zinc/33/69/43/240336943.db2.gz QGYUPWDIZYQSRM-NSISKUIASA-N 2 3 331.504 2.121 20 0 EEADHP C[C@@H]1CC[NH2+]CC[C@H]1NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000423034475 240336948 /nfs/dbraw/zinc/33/69/48/240336948.db2.gz QGYUPWDIZYQSRM-NSISKUIASA-N 2 3 331.504 2.121 20 0 EEADHP [NH3+]C[C@H]1CCCC[C@H]1NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000423534017 466769909 /nfs/dbraw/zinc/76/99/09/466769909.db2.gz ZDLPQQCUYJDJRV-RTBURBONSA-N 2 3 330.520 2.087 20 0 EEADHP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CCN[C@H](c3ccccc3)C2)CC1 ZINC000415096930 467488310 /nfs/dbraw/zinc/48/83/10/467488310.db2.gz CBODOZPZWSQNNR-RTWAWAEBSA-N 2 3 344.547 2.343 20 0 EEADHP CN(C)CCOc1ccc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647786709 470984002 /nfs/dbraw/zinc/98/40/02/470984002.db2.gz WXAJZRZTQPUODI-IPMKNSEASA-N 2 3 331.504 2.147 20 0 EEADHP COc1ccc([C@H](C[NH3+])CN2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000652363453 471279895 /nfs/dbraw/zinc/27/98/95/471279895.db2.gz FGOSMPBOYHQICK-HNBVOPMISA-N 2 3 347.503 2.098 20 0 EEADHP c1cc(CN2CC[NH2+]CC2)cc(CN2CCCCC23CC[NH2+]CC3)c1 ZINC001235188909 1305141709 /nfs/dbraw/zinc/14/17/09/1305141709.db2.gz BJQASBRMQWPVBJ-UHFFFAOYSA-N 2 3 342.531 2.200 20 0 EEADHP [NH3+]CCCCN1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001235599863 1305296040 /nfs/dbraw/zinc/29/60/40/1305296040.db2.gz DRFPXIFSPLSHKQ-QGZVFWFLSA-N 2 3 338.446 2.354 20 0 EEADHP [NH3+]CCCCN1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001235599863 1305296043 /nfs/dbraw/zinc/29/60/43/1305296043.db2.gz DRFPXIFSPLSHKQ-QGZVFWFLSA-N 2 3 338.446 2.354 20 0 EEADHP C(C[N@@H+]1C[C@@H]2CN(CC3CCCC3)CCO[C@@H]2C1)C1CC[NH2+]CC1 ZINC001235634977 1305307773 /nfs/dbraw/zinc/30/77/73/1305307773.db2.gz GNGQYNLKPVMRFX-WOJBJXKFSA-N 2 3 335.536 2.199 20 0 EEADHP C(C[N@H+]1C[C@@H]2CN(CC3CCCC3)CCO[C@@H]2C1)C1CC[NH2+]CC1 ZINC001235634977 1305307781 /nfs/dbraw/zinc/30/77/81/1305307781.db2.gz GNGQYNLKPVMRFX-WOJBJXKFSA-N 2 3 335.536 2.199 20 0 EEADHP CN(C)CCC[NH+]1CCC2(CCC[N@H+](Cc3cccc(=O)[nH]3)C2)CC1 ZINC001278049895 1305790504 /nfs/dbraw/zinc/79/05/04/1305790504.db2.gz VDYUGJLOJBDRAE-UHFFFAOYSA-N 2 3 346.519 2.417 20 0 EEADHP CN(C)CCC[NH+]1CCC2(CCC[N@@H+](Cc3cccc(=O)[nH]3)C2)CC1 ZINC001278049895 1305790510 /nfs/dbraw/zinc/79/05/10/1305790510.db2.gz VDYUGJLOJBDRAE-UHFFFAOYSA-N 2 3 346.519 2.417 20 0 EEADHP COc1ccc(CC2([NH2+]C3CCC4(C[NH2+]C4)CC3)CCNCC2)cc1 ZINC001246379201 1310294278 /nfs/dbraw/zinc/29/42/78/1310294278.db2.gz WWRJOSJIPJVLLN-UHFFFAOYSA-N 2 3 343.515 2.482 20 0 EEADHP COc1ccc(CC2([NH2+][C@@H]3CCC4(C[NH2+]C4)C3)CCNCC2)cc1 ZINC001246379336 1310295240 /nfs/dbraw/zinc/29/52/40/1310295240.db2.gz XPDMZJLFQZWZGV-QGZVFWFLSA-N 2 3 329.488 2.092 20 0 EEADHP COc1ccccc1C1(C[NH2+][C@H]2CCNC(C)(C)C2)CC[NH2+]CC1 ZINC001246414824 1310304019 /nfs/dbraw/zinc/30/40/19/1310304019.db2.gz JBXKCIVNMHVXIH-INIZCTEOSA-N 2 3 331.504 2.437 20 0 EEADHP C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000422832711 240250509 /nfs/dbraw/zinc/25/05/09/240250509.db2.gz VKESNRCYWWRFMF-WBAXXEDZSA-N 2 3 337.533 2.302 20 0 EEADHP CC(C)N1CCN(CCC[NH+]2CCC(C[N@H+](C)C(C)C)CC2)CC1 ZINC000579672955 468391707 /nfs/dbraw/zinc/39/17/07/468391707.db2.gz DBWUUSSXNKQDMW-UHFFFAOYSA-N 2 3 338.584 2.455 20 0 EEADHP CC(C)N1CCN(CCC[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)CC1 ZINC000579672955 468391711 /nfs/dbraw/zinc/39/17/11/468391711.db2.gz DBWUUSSXNKQDMW-UHFFFAOYSA-N 2 3 338.584 2.455 20 0 EEADHP CC[N@@H+]1CC[C@@H](NCC2([NH3+])CCN(Cc3ccccc3)CC2)[C@H](C)C1 ZINC000415139972 467498822 /nfs/dbraw/zinc/49/88/22/467498822.db2.gz YIRPNZDPVCNWJD-UYAOXDASSA-N 2 3 344.547 2.300 20 0 EEADHP CC[N@H+]1CC[C@@H](NCC2([NH3+])CCN(Cc3ccccc3)CC2)[C@H](C)C1 ZINC000415139972 467498826 /nfs/dbraw/zinc/49/88/26/467498826.db2.gz YIRPNZDPVCNWJD-UYAOXDASSA-N 2 3 344.547 2.300 20 0 EEADHP c1cc(N2CCNCC2)cc(N[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)[nH+]1 ZINC000635008945 470399636 /nfs/dbraw/zinc/39/96/36/470399636.db2.gz FORGQMWLFRHCOT-RCCFBDPRSA-N 2 3 329.492 2.214 20 0 EEADHP CC(C)CCN1CCC([NH2+]CC2CC[NH+](CCN(C)C)CC2)CC1 ZINC000924960461 1206055839 /nfs/dbraw/zinc/05/58/39/1206055839.db2.gz RLHBXFVTXVFMNE-UHFFFAOYSA-N 2 3 338.584 2.360 20 0 EEADHP CC[NH+](CC)[C@H]1CC[C@@H](NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)CC1 ZINC001221398066 1298810131 /nfs/dbraw/zinc/81/01/31/1298810131.db2.gz ZKFHHLRFZOFIPQ-KSZLIROESA-N 2 3 340.556 2.251 20 0 EEADHP c1c(CN2CCC(OC3CC[NH2+]CC3)CC2)sc2c1CC[NH2+]C2 ZINC001235292873 1305180810 /nfs/dbraw/zinc/18/08/10/1305180810.db2.gz KQUPGYXLOYHMGH-UHFFFAOYSA-N 2 3 335.517 2.127 20 0 EEADHP Clc1ccc(CC2([NH2+][C@H]3CCOC4(C[NH2+]C4)C3)CCNCC2)cc1 ZINC001246385726 1310295136 /nfs/dbraw/zinc/29/51/36/1310295136.db2.gz DHPNUTIIXHQJNX-KRWDZBQOSA-N 2 3 349.906 2.115 20 0 EEADHP [NH3+]CCCC[NH2+]CCCN[C@H]1Cc2ccc(Br)cc2C1 ZINC001246456175 1310315350 /nfs/dbraw/zinc/31/53/50/1310315350.db2.gz INPPXHYAJNMRSW-INIZCTEOSA-N 2 3 340.309 2.225 20 0 EEADHP c1ccc([C@]23CCNC[C@@H]2C[N@H+]([C@@H]2C[C@H]4C[NH2+]C[C@H]4C2)CC3)cc1 ZINC001246672096 1310377351 /nfs/dbraw/zinc/37/73/51/1310377351.db2.gz JJIRHEGOROZXCE-LXDWIVHCSA-N 2 3 325.500 2.238 20 0 EEADHP c1ccc([C@]23CCNC[C@@H]2C[N@@H+]([C@@H]2C[C@H]4C[NH2+]C[C@H]4C2)CC3)cc1 ZINC001246672096 1310377360 /nfs/dbraw/zinc/37/73/60/1310377360.db2.gz JJIRHEGOROZXCE-LXDWIVHCSA-N 2 3 325.500 2.238 20 0 EEADHP CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000849105877 1339145109 /nfs/dbraw/zinc/14/51/09/1339145109.db2.gz GWXMDAGVZBMKST-ROUUACIJSA-N 2 3 335.540 2.382 20 0 EEADHP CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000849105877 1339145115 /nfs/dbraw/zinc/14/51/15/1339145115.db2.gz GWXMDAGVZBMKST-ROUUACIJSA-N 2 3 335.540 2.382 20 0 EEADHP CC[N@@H+]1C[C@@]2(C[C@@H](N[C@@H]3CC[NH+]4CCC[C@@H]4C3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550354934 1121766402 /nfs/dbraw/zinc/76/64/02/1121766402.db2.gz PKXCJSFGRSCFRI-CPPNMTBBSA-N 2 3 335.536 2.073 20 0 EEADHP CC[N@H+]1C[C@@]2(C[C@@H](N[C@@H]3CC[NH+]4CCC[C@@H]4C3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550354934 1121766409 /nfs/dbraw/zinc/76/64/09/1121766409.db2.gz PKXCJSFGRSCFRI-CPPNMTBBSA-N 2 3 335.536 2.073 20 0 EEADHP CC[NH+]1C[C@@]2(C[C@@H](N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550354934 1121766413 /nfs/dbraw/zinc/76/64/13/1121766413.db2.gz PKXCJSFGRSCFRI-CPPNMTBBSA-N 2 3 335.536 2.073 20 0 EEADHP CC[NH+]1C[C@@]2(C[C@@H](N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550354934 1121766420 /nfs/dbraw/zinc/76/64/20/1121766420.db2.gz PKXCJSFGRSCFRI-CPPNMTBBSA-N 2 3 335.536 2.073 20 0 EEADHP CCOC(=O)C1([C@H](C)[NH2+]CCCN2CCCC[C@@H]2C)CC[NH2+]CC1 ZINC000422769314 240218971 /nfs/dbraw/zinc/21/89/71/240218971.db2.gz OPJAKYYYCXYQKJ-IRXDYDNUSA-N 2 3 339.524 2.162 20 0 EEADHP CCOC(=O)C1([C@H](C)NCCC[N@@H+]2CCCC[C@@H]2C)CC[NH2+]CC1 ZINC000422769314 240218978 /nfs/dbraw/zinc/21/89/78/240218978.db2.gz OPJAKYYYCXYQKJ-IRXDYDNUSA-N 2 3 339.524 2.162 20 0 EEADHP CCOC(=O)C1([C@H](C)NCCC[N@H+]2CCCC[C@@H]2C)CC[NH2+]CC1 ZINC000422769314 240218989 /nfs/dbraw/zinc/21/89/89/240218989.db2.gz OPJAKYYYCXYQKJ-IRXDYDNUSA-N 2 3 339.524 2.162 20 0 EEADHP C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000422832710 240252295 /nfs/dbraw/zinc/25/22/95/240252295.db2.gz VKESNRCYWWRFMF-QGTPRVQTSA-N 2 3 337.533 2.302 20 0 EEADHP N[C@H]1CCCCC[C@@H]1[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000423520276 466764212 /nfs/dbraw/zinc/76/42/12/466764212.db2.gz FBFKTFSUOGZLMM-OALUTQOASA-N 2 3 330.520 2.230 20 0 EEADHP [NH3+][C@H]1CCCCC[C@@H]1NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000423520276 466764217 /nfs/dbraw/zinc/76/42/17/466764217.db2.gz FBFKTFSUOGZLMM-OALUTQOASA-N 2 3 330.520 2.230 20 0 EEADHP C[C@@H]1C[C@@H](C[NH3+])CN1Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000435371945 467462890 /nfs/dbraw/zinc/46/28/90/467462890.db2.gz PDJUMNRNKYJLQU-SJORKVTESA-N 2 3 330.520 2.386 20 0 EEADHP COc1cccc(CC2(C[NH2+][C@@H]3CCN[C@@H](C)C3)CC[NH2+]CC2)c1 ZINC001246378917 1310293735 /nfs/dbraw/zinc/29/37/35/1310293735.db2.gz BDTFOCHWNCXXHM-FUHWJXTLSA-N 2 3 331.504 2.338 20 0 EEADHP CN1CCC[C@H]([NH2+][C@H]2CC[C@H]([NH+]3CCN(CC4CC4)CC3)CC2)CC1 ZINC001254506866 1318088851 /nfs/dbraw/zinc/08/88/51/1318088851.db2.gz BUTFATHRDDSZKE-ACRUOGEOSA-N 2 3 348.579 2.399 20 0 EEADHP CN1CCC(N(c2cc(N3CCCC3)cc[nH+]2)C2CC[NH2+]CC2)CC1 ZINC001158581476 1319319907 /nfs/dbraw/zinc/31/99/07/1319319907.db2.gz UMXWWYPXXMBGLP-UHFFFAOYSA-N 2 3 343.519 2.334 20 0 EEADHP CCN1CCN(Cc2ccccc2C[NH2+][C@@H](C)CCCC[NH3+])CC1 ZINC000422889135 240277625 /nfs/dbraw/zinc/27/76/25/240277625.db2.gz FGIBLUAVKCGIRH-SFHVURJKSA-N 2 3 332.536 2.431 20 0 EEADHP CCOC(=O)C1([C@H](C)[NH2+]C[C@H](C)CN2CCCCC2)CC[NH2+]CC1 ZINC000422720277 285665207 /nfs/dbraw/zinc/66/52/07/285665207.db2.gz ZBLDVINKNMPQKN-IRXDYDNUSA-N 2 3 339.524 2.019 20 0 EEADHP CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)CC1 ZINC000924667024 693111823 /nfs/dbraw/zinc/11/18/23/693111823.db2.gz FXDGHHZBZIZSAV-ZWKOTPCHSA-N 2 3 332.536 2.425 20 0 EEADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1ccc([C@@H]2CC[NH2+]C2)cc1 ZINC001219000475 1297900182 /nfs/dbraw/zinc/90/01/82/1297900182.db2.gz YZDNMVOMLOESMV-AEFFLSMTSA-N 2 3 332.492 2.198 20 0 EEADHP COc1cccc(CC2(C[NH2+][C@H]3CCN[C@H](C)C3)CC[NH2+]CC2)c1 ZINC001246378916 1310294169 /nfs/dbraw/zinc/29/41/69/1310294169.db2.gz BDTFOCHWNCXXHM-AEFFLSMTSA-N 2 3 331.504 2.338 20 0 EEADHP Clc1cccc(C2([NH2+][C@H]3CCOC4(C[NH2+]C4)C3)CCNCC2)c1 ZINC001246428977 1310308597 /nfs/dbraw/zinc/30/85/97/1310308597.db2.gz FJTCTVNYHKXPNW-INIZCTEOSA-N 2 3 335.879 2.029 20 0 EEADHP Cc1ccc(F)cc1C[N@H+](C1CCNCC1)[C@@H]1CCOC2(C[NH2+]C2)C1 ZINC001246956826 1310477662 /nfs/dbraw/zinc/47/76/62/1310477662.db2.gz VZUCEJYQPNEPPP-LJQANCHMSA-N 2 3 347.478 2.209 20 0 EEADHP Cc1ccc(F)cc1C[N@@H+](C1CCNCC1)[C@@H]1CCOC2(C[NH2+]C2)C1 ZINC001246956826 1310477667 /nfs/dbraw/zinc/47/76/67/1310477667.db2.gz VZUCEJYQPNEPPP-LJQANCHMSA-N 2 3 347.478 2.209 20 0 EEADHP CN1CC2(C1)CC[NH+](CC1(O)CC[NH+](Cc3ccccc3)CC1)CC2 ZINC001254039407 1317989337 /nfs/dbraw/zinc/98/93/37/1317989337.db2.gz FJQXDXVGZPRISC-UHFFFAOYSA-N 2 3 343.515 2.041 20 0 EEADHP C[NH+]1CCC2(C[NH+](CC3(O)CCN(Cc4ccccc4)CC3)C2)CC1 ZINC001254039835 1317989824 /nfs/dbraw/zinc/98/98/24/1317989824.db2.gz LQNZHEPSOZJULA-UHFFFAOYSA-N 2 3 343.515 2.041 20 0 EEADHP CC(C)C1=NCCc2ccc(C[N@@H+]3CCC[C@@](O)(C[NH3+])CC3)cc21 ZINC001205248351 1322330051 /nfs/dbraw/zinc/33/00/51/1322330051.db2.gz OMAHUUDMGNEANC-FQEVSTJZSA-N 2 3 329.488 2.364 20 0 EEADHP CC(C)C1=NCCc2ccc(C[N@H+]3CCC[C@@](O)(C[NH3+])CC3)cc21 ZINC001205248351 1322330057 /nfs/dbraw/zinc/33/00/57/1322330057.db2.gz OMAHUUDMGNEANC-FQEVSTJZSA-N 2 3 329.488 2.364 20 0 EEADHP [NH3+]Cc1cccc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)n1 ZINC001170529184 812296359 /nfs/dbraw/zinc/29/63/59/812296359.db2.gz YHROXNLUANKBJU-UHFFFAOYSA-N 2 3 349.482 2.450 20 0 EEADHP CCN1CCN(Cc2ccccc2C[NH2+][C@H](C)CCCC[NH3+])CC1 ZINC000422889134 240277971 /nfs/dbraw/zinc/27/79/71/240277971.db2.gz FGIBLUAVKCGIRH-GOSISDBHSA-N 2 3 332.536 2.431 20 0 EEADHP C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000422904511 240287104 /nfs/dbraw/zinc/28/71/04/240287104.db2.gz QHWWLWSMPZJLHH-FFZOFVMBSA-N 2 3 331.504 2.241 20 0 EEADHP Fc1ccc([C@@H]2CCNC[C@@H]2C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647546962 470928267 /nfs/dbraw/zinc/92/82/67/470928267.db2.gz ILILXWQECBVSRQ-PNDFQMOFSA-N 2 3 331.479 2.497 20 0 EEADHP CC(C)N1CCC([NH2+]Cc2ccc(CN3CC[NH2+]CC3)cc2)CC1 ZINC000925808924 1206156211 /nfs/dbraw/zinc/15/62/11/1206156211.db2.gz NWZUPYLPWKXBCC-UHFFFAOYSA-N 2 3 330.520 2.054 20 0 EEADHP CC[NH+](CC)C1CCC(N2CCN(CC[NH+]3CCCC3)CC2)CC1 ZINC001173112602 797234708 /nfs/dbraw/zinc/23/47/08/797234708.db2.gz CTRYDKVISBCHOJ-UHFFFAOYSA-N 2 3 336.568 2.353 20 0 EEADHP CCN1CCN(c2ccccc2C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000346819151 466176675 /nfs/dbraw/zinc/17/66/75/466176675.db2.gz HFLPNNDSDOXDNP-YSIASYRMSA-N 2 3 342.531 2.388 20 0 EEADHP CCN1CCN(c2ccccc2C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000346819151 466176679 /nfs/dbraw/zinc/17/66/79/466176679.db2.gz HFLPNNDSDOXDNP-YSIASYRMSA-N 2 3 342.531 2.388 20 0 EEADHP NC1(C[NH2+]C2CCN(C3CC3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000423533004 466769378 /nfs/dbraw/zinc/76/93/78/466769378.db2.gz WHKHDOGSWSKFMA-UHFFFAOYSA-N 2 3 342.531 2.196 20 0 EEADHP [NH3+]C[C@H](CN1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1)c1ccc(F)cc1 ZINC000573198234 469080670 /nfs/dbraw/zinc/08/06/70/469080670.db2.gz RZDPDHOZGIWJLA-NEWSRXKRSA-N 2 3 335.467 2.086 20 0 EEADHP NC[C@H](C[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1)c1ccc(F)cc1 ZINC000573198234 469080675 /nfs/dbraw/zinc/08/06/75/469080675.db2.gz RZDPDHOZGIWJLA-NEWSRXKRSA-N 2 3 335.467 2.086 20 0 EEADHP COc1ccccc1CC1([NH2+]C2CCC3(C[NH2+]C3)CC2)CCNCC1 ZINC001246426543 1310309566 /nfs/dbraw/zinc/30/95/66/1310309566.db2.gz RGMIADPCXHVTKB-UHFFFAOYSA-N 2 3 343.515 2.482 20 0 EEADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)N(CC(C)(C)C)C1CC[NH2+]CC1 ZINC001161262059 1320437801 /nfs/dbraw/zinc/43/78/01/1320437801.db2.gz RAZJXYLGIOKTPJ-KRWDZBQOSA-N 2 3 340.556 2.109 20 0 EEADHP CN(C)CC[N@@H+]1CCCC2(CC[NH+](C[C@H]3CCCN(C)C3)CC2)C1 ZINC001276496882 1323621592 /nfs/dbraw/zinc/62/15/92/1323621592.db2.gz BGWSIEXXEFOPKY-IBGZPJMESA-N 2 3 336.568 2.068 20 0 EEADHP CN(C)CC[N@H+]1CCCC2(CC[NH+](C[C@H]3CCCN(C)C3)CC2)C1 ZINC001276496882 1323621597 /nfs/dbraw/zinc/62/15/97/1323621597.db2.gz BGWSIEXXEFOPKY-IBGZPJMESA-N 2 3 336.568 2.068 20 0 EEADHP CN1CCn2ncc(C[NH2+]C3CCC(C)([NH+]4CCCC4)CC3)c2C1 ZINC001552929045 1125436844 /nfs/dbraw/zinc/43/68/44/1125436844.db2.gz POXNYNFXVRNWEB-UHFFFAOYSA-N 2 3 331.508 2.215 20 0 EEADHP CCN1CCN(Cc2ccc(C[NH2+][C@H](C)CCCC[NH3+])cc2)CC1 ZINC000422891620 240277394 /nfs/dbraw/zinc/27/73/94/240277394.db2.gz KYCOYXRYDHSXBS-GOSISDBHSA-N 2 3 332.536 2.431 20 0 EEADHP C[C@@H]1CC[NH2+]CC[C@@H]1NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000423034473 240338029 /nfs/dbraw/zinc/33/80/29/240338029.db2.gz QGYUPWDIZYQSRM-AHRSYUTCSA-N 2 3 331.504 2.121 20 0 EEADHP C[C@@H]1CC[NH2+]CC[C@@H]1NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000423034473 240338034 /nfs/dbraw/zinc/33/80/34/240338034.db2.gz QGYUPWDIZYQSRM-AHRSYUTCSA-N 2 3 331.504 2.121 20 0 EEADHP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H](C)CN2CCCCC2)CC[NH2+]CC1 ZINC000422720279 466681402 /nfs/dbraw/zinc/68/14/02/466681402.db2.gz ZBLDVINKNMPQKN-SJORKVTESA-N 2 3 339.524 2.019 20 0 EEADHP Fc1ccc([C@@H]2CCNC[C@@H]2C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647546960 470928170 /nfs/dbraw/zinc/92/81/70/470928170.db2.gz ILILXWQECBVSRQ-GNVJSZRZSA-N 2 3 331.479 2.497 20 0 EEADHP c1ccc(C[C@@H]2C[C@H]([NH2+][C@@H]3CCOC4(CC[NH2+]CC4)C3)CCN2)cc1 ZINC001246253135 1310268131 /nfs/dbraw/zinc/26/81/31/1310268131.db2.gz CAFQCQGWCVOKOR-VAMGGRTRSA-N 2 3 343.515 2.241 20 0 EEADHP C[C@H]1CC[C@H]([NH2+][C@H]2CC[C@H]([NH+]3CCN(CC4CC4)CC3)CC2)CN1 ZINC001246292119 1310274416 /nfs/dbraw/zinc/27/44/16/1310274416.db2.gz KDBAOHVBZBFIKM-LEAZDLGRSA-N 2 3 334.552 2.055 20 0 EEADHP COc1ccc(CC2(C[NH2+][C@@H]3CCN[C@H](C)C3)CC[NH2+]CC2)cc1 ZINC001246390791 1310297399 /nfs/dbraw/zinc/29/73/99/1310297399.db2.gz UOVOOLCXPMDREU-SJLPKXTDSA-N 2 3 331.504 2.338 20 0 EEADHP C[C@@H]1C[C@H]([NH+]2CCN(CCC[NH3+])CC2)CCN1Cc1ccccc1 ZINC001256529425 1318764477 /nfs/dbraw/zinc/76/44/77/1318764477.db2.gz BVQFJKOPHZEJAZ-UYAOXDASSA-N 2 3 330.520 2.006 20 0 EEADHP C[NH+]1CCC2(CC1)CC[NH+](C1CCC(N3CCOCC3)CC1)CC2 ZINC001256695822 1318836776 /nfs/dbraw/zinc/83/67/76/1318836776.db2.gz OTRLMSKQQWCHOU-UHFFFAOYSA-N 2 3 335.536 2.438 20 0 EEADHP C[NH+](C)CCCCNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849060694 1338834307 /nfs/dbraw/zinc/83/43/07/1338834307.db2.gz LOGQXOASCIPBHB-UHFFFAOYSA-N 2 3 331.508 2.107 20 0 EEADHP CC(C)N(Cc1ccccc1N1CC[NH2+]CC1)[C@@H]1CCC[NH2+]CC1 ZINC001206592243 1323539641 /nfs/dbraw/zinc/53/96/41/1323539641.db2.gz ZJSMLWYLJLKULC-LJQANCHMSA-N 2 3 330.520 2.449 20 0 EEADHP CN(CC[NH3+])CCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172077219 796864392 /nfs/dbraw/zinc/86/43/92/796864392.db2.gz PUJPLRHIXGQOOR-OWZKRDHZSA-N 2 3 330.520 2.052 20 0 EEADHP CN(CC[NH3+])CCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172077219 796864394 /nfs/dbraw/zinc/86/43/94/796864394.db2.gz PUJPLRHIXGQOOR-OWZKRDHZSA-N 2 3 330.520 2.052 20 0 EEADHP