smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](C(=O)N(C)C1CCCCC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161338836 539527649 /nfs/dbraw/zinc/52/76/49/539527649.db2.gz KTHLZNHTOITAKJ-INIZCTEOSA-N 1 0 330.476 2.383 20 70 EEIDRO Cc1ccc(S[C@@H](C)C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000160071825 237230580 /nfs/dbraw/zinc/23/05/80/237230580.db2.gz ALKTZBYDNSLBEX-JKSUJKDBSA-N 1 0 336.501 2.439 20 70 EEIDRO C[C@@H]([NH3+])C(=O)NCCSCCOc1cccc(Br)c1 ZINC000159524073 206250582 /nfs/dbraw/zinc/25/05/82/206250582.db2.gz SWWWGRWMFGGBKJ-SNVBAGLBSA-N 1 0 347.278 2.025 20 70 EEIDRO Cc1cc(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)cc(Cl)n1 ZINC000159553317 206250886 /nfs/dbraw/zinc/25/08/86/206250886.db2.gz IXEQVMHKIQOZDG-UHFFFAOYSA-N 1 0 348.834 2.309 20 70 EEIDRO C[C@@H](CNC(=O)[C@@H](C)Cc1ccccc1F)C[NH+]1CCN(C)CC1 ZINC000160108519 206279760 /nfs/dbraw/zinc/27/97/60/206279760.db2.gz NHJNKSCKBSXSJO-HOTGVXAUSA-N 1 0 335.467 2.004 20 70 EEIDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@@H](C)Cc2ccccc2F)CC1 ZINC000160116875 206280241 /nfs/dbraw/zinc/28/02/41/206280241.db2.gz HVGIRISNVMAOFC-IRXDYDNUSA-N 1 0 349.494 2.394 20 70 EEIDRO CCc1nn(C)c(Cl)c1C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000160135782 206281265 /nfs/dbraw/zinc/28/12/65/206281265.db2.gz CZIDLJSIUOSVIK-LLVKDONJSA-N 1 0 333.823 2.040 20 70 EEIDRO CC[C@H](C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000160180838 206283194 /nfs/dbraw/zinc/28/31/94/206283194.db2.gz ZGKRAXQNDDVACC-GLQYFDAESA-N 1 0 337.851 2.044 20 70 EEIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cccnc1Cl ZINC000160723140 206310047 /nfs/dbraw/zinc/31/00/47/206310047.db2.gz CAVFAZRQOHADSA-LSDHHAIUSA-N 1 0 337.851 2.233 20 70 EEIDRO COc1cccc(CC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1 ZINC000160756489 206311003 /nfs/dbraw/zinc/31/10/03/206311003.db2.gz GEYPQTSMOCSIED-RBUKOAKNSA-N 1 0 346.471 2.122 20 70 EEIDRO C[NH2+][C@H]1CCN(C(=O)[C@@H](C)Oc2ccc(Br)cc2)C1 ZINC000160783246 206312719 /nfs/dbraw/zinc/31/27/19/206312719.db2.gz FFCHIPOCQQERFN-PWSUYJOCSA-N 1 0 327.222 2.037 20 70 EEIDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000160814922 206314177 /nfs/dbraw/zinc/31/41/77/206314177.db2.gz ZEEVGHIDIMNKNH-LLVKDONJSA-N 1 0 333.358 2.251 20 70 EEIDRO [NH3+]C1(CNC(=O)CN2CCOc3ccc(Cl)cc32)CCCCC1 ZINC000159727543 255796611 /nfs/dbraw/zinc/79/66/11/255796611.db2.gz HGRIULLNFZWOFG-UHFFFAOYSA-N 1 0 337.851 2.317 20 70 EEIDRO C[C@@H](CC(=O)Nc1ccc(F)c(C(=O)N(C)C)c1)[C@H]1CCC[NH2+]C1 ZINC000160358325 225395987 /nfs/dbraw/zinc/39/59/87/225395987.db2.gz FRDKRWNYFFMRMA-STQMWFEESA-N 1 0 335.423 2.492 20 70 EEIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1ccc2c(c1)OCCO2 ZINC000160419289 277392558 /nfs/dbraw/zinc/39/25/58/277392558.db2.gz LQZNSTWNXJAHPN-MRXNPFEDSA-N 1 0 332.444 2.237 20 70 EEIDRO CC(C)[NH2+]CCC(=O)Nc1cccc(CS(=O)(=O)C(C)C)c1 ZINC000159831879 311346825 /nfs/dbraw/zinc/34/68/25/311346825.db2.gz WOXCDPPIAURZIK-UHFFFAOYSA-N 1 0 326.462 2.336 20 70 EEIDRO Cc1c(CNC(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cnn1C ZINC000160275916 311352238 /nfs/dbraw/zinc/35/22/38/311352238.db2.gz QSAPDANDSVVAGJ-HUUCEWRRSA-N 1 0 335.496 2.286 20 70 EEIDRO C[C@H](C(=O)N(C)CC(C)(C)CN1CCOCC1)[NH+]1CCCCCC1 ZINC000160302356 311352561 /nfs/dbraw/zinc/35/25/61/311352561.db2.gz CSQTWCZKIBNLRP-QGZVFWFLSA-N 1 0 339.524 2.068 20 70 EEIDRO O=C(CCCOc1ccc2c(c1)OCO2)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000161331523 311364769 /nfs/dbraw/zinc/36/47/69/311364769.db2.gz SXNLZTPVYADOLH-HNNXBMFYSA-N 1 0 346.427 2.271 20 70 EEIDRO Cc1ccsc1[C@@H]1C[C@H]1C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000161460059 311366256 /nfs/dbraw/zinc/36/62/56/311366256.db2.gz QXSVJNJURWWOGL-HZPDHXFCSA-N 1 0 335.517 2.304 20 70 EEIDRO Cc1ccc(S(=O)(=O)N(C)[C@H](C[NH3+])C2CC2)c(Br)c1 ZINC000159968020 463312849 /nfs/dbraw/zinc/31/28/49/463312849.db2.gz PSAHOCWBUQKQES-GFCCVEGCSA-N 1 0 347.278 2.115 20 70 EEIDRO Cn1cnc2cc(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)cnc21 ZINC000160010064 463313938 /nfs/dbraw/zinc/31/39/38/463313938.db2.gz DIZVQCZOHMJRTQ-HNNXBMFYSA-N 1 0 339.399 2.128 20 70 EEIDRO O=C(c1cnn2c1nccc2-c1ccccc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160479909 463343241 /nfs/dbraw/zinc/34/32/41/463343241.db2.gz BHKCGHUBISSEMZ-IYBDPMFKSA-N 1 0 347.422 2.363 20 70 EEIDRO COc1cc(CN(C)C(=O)C(C)(C)C[NH3+])c(SC)cc1OC ZINC000160674843 463361419 /nfs/dbraw/zinc/36/14/19/463361419.db2.gz PGZBLPMAJOSXFO-UHFFFAOYSA-N 1 0 326.462 2.369 20 70 EEIDRO COc1cc(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc(OC)c1O ZINC000160893172 463379253 /nfs/dbraw/zinc/37/92/53/463379253.db2.gz ZCBOULQNKGQAFX-HNNXBMFYSA-N 1 0 344.411 2.442 20 70 EEIDRO O=C(CCC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)NC1CCCC1 ZINC000160915658 463381753 /nfs/dbraw/zinc/38/17/53/463381753.db2.gz XXMUIHWMDQLFKE-MAUKXSAKSA-N 1 0 347.503 2.301 20 70 EEIDRO CC(C)C(=O)N(C)Cc1ccc(C(=O)NC[C@H](C2CC2)[NH+](C)C)cc1 ZINC000161161876 463405739 /nfs/dbraw/zinc/40/57/39/463405739.db2.gz DEIQFZKKWMQANI-GOSISDBHSA-N 1 0 345.487 2.371 20 70 EEIDRO CC(C)(C)c1cc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)[nH]n1 ZINC000160414375 539521149 /nfs/dbraw/zinc/52/11/49/539521149.db2.gz NWKKXSLRCUSJDD-CVEARBPZSA-N 1 0 348.491 2.205 20 70 EEIDRO CCOc1ccccc1NC(=O)CN1CCN(c2cc[nH+]cc2)CC1 ZINC000161296076 539526309 /nfs/dbraw/zinc/52/63/09/539526309.db2.gz CJITWDKXECHMTI-UHFFFAOYSA-N 1 0 340.427 2.241 20 70 EEIDRO O=C1[C@@H](N2CCC[C@@H]2C[NH+]2CCCCC2)CCN1CC(F)(F)F ZINC000217138581 241239070 /nfs/dbraw/zinc/23/90/70/241239070.db2.gz HVDVUZRCYUQLJX-KGLIPLIRSA-N 1 0 333.398 2.100 20 70 EEIDRO CC(C)Oc1ccc(CCNC(=O)C[N@H+](C)C[C@@H]2CCC[C@@H]2O)cc1 ZINC000159553538 206251666 /nfs/dbraw/zinc/25/16/66/206251666.db2.gz IKSMRHHGNIRFSA-HKUYNNGSSA-N 1 0 348.487 2.225 20 70 EEIDRO CCCC[C@H](C)[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000159748126 206260383 /nfs/dbraw/zinc/26/03/83/206260383.db2.gz SSHGYYJWAOWJIC-HNNXBMFYSA-N 1 0 340.489 2.376 20 70 EEIDRO O=C(Nc1ccn(CC(F)(F)F)n1)N1CC[NH+](CC2CC2)CC1 ZINC000160417055 206296164 /nfs/dbraw/zinc/29/61/64/206296164.db2.gz AKJNPROXKKULEH-UHFFFAOYSA-N 1 0 331.342 2.005 20 70 EEIDRO C[C@H](C(=O)NCc1ccccc1F)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160510282 206302304 /nfs/dbraw/zinc/30/23/04/206302304.db2.gz PKMMXWLEWXLJRA-IDHHARJASA-N 1 0 334.435 2.457 20 70 EEIDRO C[NH2+][C@@H]1CCN(C(=O)CCOc2ccc(C)cc2Br)C1 ZINC000160757041 206311717 /nfs/dbraw/zinc/31/17/17/206311717.db2.gz TVPLOJLSTKIBOU-GFCCVEGCSA-N 1 0 341.249 2.347 20 70 EEIDRO CC[C@H](C)[C@@H](O)CNC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000161250587 206336881 /nfs/dbraw/zinc/33/68/81/206336881.db2.gz RYKILAJHCAYVOY-MPGHIAIKSA-N 1 0 348.491 2.313 20 70 EEIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1 ZINC000161352439 206342571 /nfs/dbraw/zinc/34/25/71/206342571.db2.gz KPCVOISXVAKHQC-HNNXBMFYSA-N 1 0 342.443 2.269 20 70 EEIDRO CC(C)C[NH+]1CCN(C(=O)Nc2cccc(-c3ncn(C)n3)c2)CC1 ZINC000161394875 206346085 /nfs/dbraw/zinc/34/60/85/206346085.db2.gz XFWJANZPHOOWNQ-UHFFFAOYSA-N 1 0 342.447 2.288 20 70 EEIDRO CC(C)[C@@H](NC(=O)N1CCC([N@H+](C)CCO)CC1)c1ccccc1 ZINC000161490847 206351133 /nfs/dbraw/zinc/35/11/33/206351133.db2.gz BMCFVCDCELGRTI-GOSISDBHSA-N 1 0 333.476 2.482 20 70 EEIDRO C[C@H](CC(=O)N(C)Cc1ccc([S@@](C)=O)cc1)[C@@H]1CCC[NH2+]C1 ZINC000161468554 289411936 /nfs/dbraw/zinc/41/19/36/289411936.db2.gz XMZBETYXERLVRW-SWHMAYCHSA-N 1 0 336.501 2.408 20 70 EEIDRO C[N@H+](CCCNC(=O)CNC(=O)CC1CCCC1)C1CCCCC1 ZINC000159599601 311343347 /nfs/dbraw/zinc/34/33/47/311343347.db2.gz IMJWUNHFIWVPJB-UHFFFAOYSA-N 1 0 337.508 2.454 20 70 EEIDRO Cc1c(CNC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cnn1C ZINC000160275661 311352182 /nfs/dbraw/zinc/35/21/82/311352182.db2.gz QSAPDANDSVVAGJ-GASCZTMLSA-N 1 0 335.496 2.286 20 70 EEIDRO COc1cccc(COCCNC(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000160618732 311356581 /nfs/dbraw/zinc/35/65/81/311356581.db2.gz MGUXMZWQGWVECU-QAPCUYQASA-N 1 0 349.475 2.193 20 70 EEIDRO COc1ccc(CN2CCCN(C(=O)c3cc(C)ncn3)CC2)cc1 ZINC000161419864 311365746 /nfs/dbraw/zinc/36/57/46/311365746.db2.gz KIODSYCBRVWWOR-UHFFFAOYSA-N 1 0 340.427 2.142 20 70 EEIDRO O=C(C[NH2+]C[C@H]1CCCO1)N[C@H](c1ccc(F)cc1)C(F)(F)F ZINC000159687633 463299902 /nfs/dbraw/zinc/29/99/02/463299902.db2.gz RORJCGWESVEBGH-TZMCWYRMSA-N 1 0 334.313 2.314 20 70 EEIDRO COc1ccc(Br)c(C(=O)N(C)[C@@H](C[NH3+])C2CC2)c1 ZINC000159825463 463306897 /nfs/dbraw/zinc/30/68/97/463306897.db2.gz IDMWEECSFAAZTG-ZDUSSCGKSA-N 1 0 327.222 2.267 20 70 EEIDRO CC(C)OC(=O)CCCNC(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000159914227 463310739 /nfs/dbraw/zinc/31/07/39/463310739.db2.gz COKSDZWCMZLDJL-OAHLLOKOSA-N 1 0 327.469 2.282 20 70 EEIDRO CCCC[N@H+](C)CCNC(=O)CCN1c2ccccc2CCC1=O ZINC000159950212 463311985 /nfs/dbraw/zinc/31/19/85/463311985.db2.gz AXJFJOLJVWEWIM-UHFFFAOYSA-N 1 0 331.460 2.204 20 70 EEIDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NC[C@@H]1CCC[C@H](O)C1 ZINC000159972816 463313364 /nfs/dbraw/zinc/31/33/64/463313364.db2.gz JJOFMSGHKGRZOL-YSHGAJCASA-N 1 0 345.487 2.357 20 70 EEIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@H]1C[C@H]1c1ccccc1Cl ZINC000160600533 463353485 /nfs/dbraw/zinc/35/34/85/463353485.db2.gz PTOHNGIHJPRMHK-BPUTZDHNSA-N 1 0 336.863 2.407 20 70 EEIDRO O=C(Cc1ccc(C(F)(F)F)cc1)NCC1CC[NH+](CCO)CC1 ZINC000160597078 463354055 /nfs/dbraw/zinc/35/40/55/463354055.db2.gz YEPIPCNKFWJLTB-UHFFFAOYSA-N 1 0 344.377 2.068 20 70 EEIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cc(-c2ccccc2F)on1 ZINC000160617482 463355203 /nfs/dbraw/zinc/35/52/03/463355203.db2.gz VYQMJFVVPPUTJD-CYBMUJFWSA-N 1 0 347.390 2.057 20 70 EEIDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N(Cc1ccco1)C[C@@H]1CCCO1 ZINC000160758901 463368508 /nfs/dbraw/zinc/36/85/08/463368508.db2.gz UWNKVQZECISEGK-WMZOPIPTSA-N 1 0 347.459 2.455 20 70 EEIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)CCC(=O)CCC(=O)c2cccs2)C1 ZINC000161077288 463397788 /nfs/dbraw/zinc/39/77/88/463397788.db2.gz GWTHEQQGEYKIHJ-CHWSQXEVSA-N 1 0 336.457 2.446 20 70 EEIDRO CC[N@@H+]1CCCN(C(=O)N[C@H]2CCCN(c3ccccc3)C2)CC1 ZINC000159866428 529030496 /nfs/dbraw/zinc/03/04/96/529030496.db2.gz WZLGBSCTZMIVFK-KRWDZBQOSA-N 1 0 330.476 2.393 20 70 EEIDRO CCc1c(C(=O)N2CCN(c3cc[nH+]cc3)CC2)cnn1CC(C)C ZINC000160289208 539521494 /nfs/dbraw/zinc/52/14/94/539521494.db2.gz ISVMWEMNMZPSBY-UHFFFAOYSA-N 1 0 341.459 2.459 20 70 EEIDRO C[C@@H](C(=O)Nc1ccc2c(c1)OC(F)(F)O2)[N@H+](C)C[C@H](O)C1CC1 ZINC000160818944 539524037 /nfs/dbraw/zinc/52/40/37/539524037.db2.gz AFNSLSYXHKUSID-CABZTGNLSA-N 1 0 342.342 2.038 20 70 EEIDRO CC[N@@H+]1CCCN(C(=O)NCc2cccc(N3CCCC3=O)c2)CC1 ZINC000159647965 206256051 /nfs/dbraw/zinc/25/60/51/206256051.db2.gz FIJVFGFZFBWEFP-UHFFFAOYSA-N 1 0 344.459 2.051 20 70 EEIDRO CCC(CC)(C[NH2+]CC(=O)Nc1ccc(Cl)cn1)C(=O)OC ZINC000159682399 206257840 /nfs/dbraw/zinc/25/78/40/206257840.db2.gz OUMQMVYBDYCVCL-UHFFFAOYSA-N 1 0 327.812 2.243 20 70 EEIDRO CCSCC[N@@H+]1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000159578207 206253090 /nfs/dbraw/zinc/25/30/90/206253090.db2.gz CMECVAOZUWDCKR-UHFFFAOYSA-N 1 0 328.503 2.136 20 70 EEIDRO CCC[N@@H+]1CC[C@@H](CNC(=O)NCc2ccnc(OC(C)C)c2)C1 ZINC000159765191 206262022 /nfs/dbraw/zinc/26/20/22/206262022.db2.gz MJSNDZUUCAMUNA-INIZCTEOSA-N 1 0 334.464 2.400 20 70 EEIDRO C[C@@H](CNC(=O)c1ccnc(-n2cccn2)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000159875476 206268541 /nfs/dbraw/zinc/26/85/41/206268541.db2.gz NGSPKRGKFAFABM-GJZGRUSLSA-N 1 0 327.432 2.118 20 70 EEIDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCCC[C@@H]1CCO ZINC000159926051 206269775 /nfs/dbraw/zinc/26/97/75/206269775.db2.gz ZUBMPGVWFGCJMT-QRQLOZEOSA-N 1 0 345.487 2.453 20 70 EEIDRO Cc1ccc(NC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)cn1 ZINC000160032717 206275818 /nfs/dbraw/zinc/27/58/18/206275818.db2.gz LCPRMUIXQAKTIA-QGZVFWFLSA-N 1 0 346.475 2.201 20 70 EEIDRO CC(C)[C@H](CCO)NC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000160027030 206276156 /nfs/dbraw/zinc/27/61/56/206276156.db2.gz LUNXAKMZLZNNTG-NJAFHUGGSA-N 1 0 333.476 2.213 20 70 EEIDRO CC[C@@H](C)N(C)CC[NH2+][C@@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000160100892 206279748 /nfs/dbraw/zinc/27/97/48/206279748.db2.gz QSFOJKHMKLEEIL-KGLIPLIRSA-N 1 0 327.494 2.439 20 70 EEIDRO COc1ccc(S(=O)(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000160166180 206281522 /nfs/dbraw/zinc/28/15/22/206281522.db2.gz ANLZWZHRTJFYAS-OAHLLOKOSA-N 1 0 338.473 2.334 20 70 EEIDRO O=C(c1ncn(-c2ccccc2)n1)N1CC[NH+](C2CCCCC2)CC1 ZINC000160531394 206302650 /nfs/dbraw/zinc/30/26/50/206302650.db2.gz BDAOYVVCLWRVPX-UHFFFAOYSA-N 1 0 339.443 2.358 20 70 EEIDRO C[NH2+][C@H]1CCN(C(=O)COc2ccc(Br)cc2Cl)C1 ZINC000160794182 206313605 /nfs/dbraw/zinc/31/36/05/206313605.db2.gz FHEAOAGTSPGZCR-JTQLQIEISA-N 1 0 347.640 2.302 20 70 EEIDRO O=C(c1cnn(-c2ccccc2)c1C(F)(F)F)N1CCC[NH2+]CC1 ZINC000160846147 206315145 /nfs/dbraw/zinc/31/51/45/206315145.db2.gz LCNYMPVWLKWALW-UHFFFAOYSA-N 1 0 338.333 2.327 20 70 EEIDRO COc1cc(OC)c(NC(=O)NCC[NH+](C)C)cc1Br ZINC000161067537 206326508 /nfs/dbraw/zinc/32/65/08/206326508.db2.gz JPIQQZIMUJCAOR-UHFFFAOYSA-N 1 0 346.225 2.149 20 70 EEIDRO CC(C)CC(=O)NCCC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000161182016 206332893 /nfs/dbraw/zinc/33/28/93/206332893.db2.gz XTEPJXPRWJZGKH-INIZCTEOSA-N 1 0 337.439 2.097 20 70 EEIDRO COc1cccc(-c2cc(C(=O)NC3CC[NH+](C4CC4)CC3)[nH]n2)c1 ZINC000161251060 206337095 /nfs/dbraw/zinc/33/70/95/206337095.db2.gz GOXVMMLOVOCTSJ-UHFFFAOYSA-N 1 0 340.427 2.442 20 70 EEIDRO CN(C[C@@H]1CCC[C@@H]1O)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000161263057 206338269 /nfs/dbraw/zinc/33/82/69/206338269.db2.gz YQHHLRVLVKWZTP-FHWLQOOXSA-N 1 0 345.487 2.453 20 70 EEIDRO Cc1conc1NC(=O)C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000161303760 206340747 /nfs/dbraw/zinc/34/07/47/206340747.db2.gz KJXPEHIQVWLOTO-CYBMUJFWSA-N 1 0 344.415 2.167 20 70 EEIDRO CC[C@@H](CCO)CNC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000161341656 206342419 /nfs/dbraw/zinc/34/24/19/206342419.db2.gz XHDTWMWPCGLDMU-CVEARBPZSA-N 1 0 348.491 2.315 20 70 EEIDRO COc1ccc(NC(=O)[C@]2(C)CCC[NH2+]C2)cc1N1CCCC1=O ZINC000161380120 159724760 /nfs/dbraw/zinc/72/47/60/159724760.db2.gz OVIPJRNTDTWSLV-GOSISDBHSA-N 1 0 331.416 2.150 20 70 EEIDRO CC[C@H](C(N)=O)[N@H+](CC)CCOc1ccc(Br)cc1 ZINC000159593022 311343256 /nfs/dbraw/zinc/34/32/56/311343256.db2.gz WBUUPWCUHMOCKX-CYBMUJFWSA-N 1 0 329.238 2.414 20 70 EEIDRO CCc1ccc([C@H](CO)NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1 ZINC000159771311 311346221 /nfs/dbraw/zinc/34/62/21/311346221.db2.gz TXEMFKWXUQYKFG-WBAXXEDZSA-N 1 0 333.476 2.310 20 70 EEIDRO CCOC(=O)NCCCC(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000160412078 311353952 /nfs/dbraw/zinc/35/39/52/311353952.db2.gz RMPWPUWXAHVLQE-YOEHRIQHSA-N 1 0 327.469 2.139 20 70 EEIDRO COC(=O)CC[N@@H+](Cc1c(C)nc2ccccn21)C[C@H]1CCCO1 ZINC000160448579 311354282 /nfs/dbraw/zinc/35/42/82/311354282.db2.gz PKNWGGADTDDXPH-OAHLLOKOSA-N 1 0 331.416 2.187 20 70 EEIDRO CCOC(=O)c1cnc(N2CCC[C@H]2C[NH+]2CCCCC2)nc1C ZINC000160455534 311354334 /nfs/dbraw/zinc/35/43/34/311354334.db2.gz FSOJMDBIZOJLOX-HNNXBMFYSA-N 1 0 332.448 2.416 20 70 EEIDRO Cc1cccc(OC[C@H](O)C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)c1 ZINC000161232731 311363819 /nfs/dbraw/zinc/36/38/19/311363819.db2.gz PVDXTTWWSXRRJL-GDBMZVCRSA-N 1 0 347.377 2.370 20 70 EEIDRO COCCOC1CC[NH+](CC2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC000159722286 463301315 /nfs/dbraw/zinc/30/13/15/463301315.db2.gz JIXXCABTLSQCBV-UHFFFAOYSA-N 1 0 340.508 2.399 20 70 EEIDRO CSCC[C@H]([NH3+])C(=O)Nc1cccc(CS(=O)(=O)C(C)C)c1 ZINC000159832827 463306182 /nfs/dbraw/zinc/30/61/82/463306182.db2.gz JCQKYQWKLSSOPO-AWEZNQCLSA-N 1 0 344.502 2.029 20 70 EEIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cccn1Cc1ccccc1 ZINC000160067617 463317741 /nfs/dbraw/zinc/31/77/41/463317741.db2.gz RBRZBWCNLZDCOC-GOSISDBHSA-N 1 0 341.455 2.113 20 70 EEIDRO COc1cccc2cc(C(=O)NC[C@@H](O)C[NH+]3CCCCC3)oc21 ZINC000160121136 463320006 /nfs/dbraw/zinc/32/00/06/463320006.db2.gz GZZYADRSBYGKFS-CQSZACIVSA-N 1 0 332.400 2.018 20 70 EEIDRO CCOC(=O)C[C@@H](C)NC(=O)CSCc1cn2cc(C)ccc2n1 ZINC000160220494 463324233 /nfs/dbraw/zinc/32/42/33/463324233.db2.gz KBRIPLDMNQHBPY-CYBMUJFWSA-N 1 0 349.456 2.334 20 70 EEIDRO CC(C)c1nc(C(=O)N2CCC[C@@H]2C[NH3+])nn1-c1ccccc1F ZINC000160296454 463326589 /nfs/dbraw/zinc/32/65/89/463326589.db2.gz WCTGEXMHUHRTIK-GFCCVEGCSA-N 1 0 331.395 2.093 20 70 EEIDRO CO[C@]1(C[NH2+]CCOc2ccc(Br)cc2)CCOC1 ZINC000160360282 463331863 /nfs/dbraw/zinc/33/18/63/463331863.db2.gz BSOYVEJBLIIYRZ-AWEZNQCLSA-N 1 0 330.222 2.223 20 70 EEIDRO CCCc1c(C(=O)N2CC[C@@H]([NH2+]C)C2)nnn1-c1cccc(Cl)c1 ZINC000160584579 463352296 /nfs/dbraw/zinc/35/22/96/463352296.db2.gz MCVIBFROROSMTR-CYBMUJFWSA-N 1 0 347.850 2.307 20 70 EEIDRO C[NH2+][C@@H]1CCN(C(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)C1 ZINC000160704420 463363656 /nfs/dbraw/zinc/36/36/56/463363656.db2.gz AUEBAHVAGXHOOL-LLVKDONJSA-N 1 0 346.381 2.073 20 70 EEIDRO CC(C)CC(=O)N[C@H](C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000160815303 463374061 /nfs/dbraw/zinc/37/40/61/463374061.db2.gz QHRBALYRKQXUPS-JZXOWHBKSA-N 1 0 331.460 2.276 20 70 EEIDRO COc1cc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc(OC)c1OC(F)F ZINC000161451176 463431027 /nfs/dbraw/zinc/43/10/27/463431027.db2.gz OXZXEASPRMYBDZ-QWRGUYRKSA-N 1 0 344.358 2.305 20 70 EEIDRO CC(C)(C)c1cc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)[nH]n1 ZINC000160414767 539521365 /nfs/dbraw/zinc/52/13/65/539521365.db2.gz NWKKXSLRCUSJDD-JKSUJKDBSA-N 1 0 348.491 2.205 20 70 EEIDRO CC(C)(C)c1cc(NC(=O)CN2CCN(c3cc[nH+]cc3)CC2)on1 ZINC000161367865 539526674 /nfs/dbraw/zinc/52/66/74/539526674.db2.gz RUVLFEXRWUCXTQ-UHFFFAOYSA-N 1 0 343.431 2.128 20 70 EEIDRO C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161336461 539526761 /nfs/dbraw/zinc/52/67/61/539526761.db2.gz IQWHZWBERLZJOS-JFIYKMOQSA-N 1 0 330.476 2.287 20 70 EEIDRO C[C@@H](C(=O)N1CCc2ccccc21)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161329638 539526881 /nfs/dbraw/zinc/52/68/81/539526881.db2.gz SABZIBISDTYBOW-INIZCTEOSA-N 1 0 336.439 2.181 20 70 EEIDRO COc1ccc(Cn2cc(C(=O)NCC3([NH3+])CCCCC3)cn2)cc1 ZINC000159634247 206256602 /nfs/dbraw/zinc/25/66/02/206256602.db2.gz FPMGGWXORUPSKA-UHFFFAOYSA-N 1 0 342.443 2.331 20 70 EEIDRO CC[N@@H+]1CCCN(C(=O)NCCCOCc2ccc(OC)cc2)CC1 ZINC000159806784 206264187 /nfs/dbraw/zinc/26/41/87/206264187.db2.gz CZNKQYHKFUZLIY-UHFFFAOYSA-N 1 0 349.475 2.339 20 70 EEIDRO C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159841154 206267212 /nfs/dbraw/zinc/26/72/12/206267212.db2.gz YRRQMUIUOPHBRQ-DZKIICNBSA-N 1 0 348.443 2.268 20 70 EEIDRO [NH3+]C[C@@H]1CCCN1C(=O)c1csc(-c2ccc3c(c2)OCCO3)n1 ZINC000160220760 206284949 /nfs/dbraw/zinc/28/49/49/206284949.db2.gz GLNOLVUPIHOGSG-LBPRGKRZSA-N 1 0 345.424 2.145 20 70 EEIDRO C[C@@H]1C[C@@H](NC(=O)N(C)C[C@@H]2CCOC2)C[N@@H+]1Cc1ccccc1 ZINC000160278366 206287850 /nfs/dbraw/zinc/28/78/50/206287850.db2.gz YEQXDUORYQHAJE-BPQIPLTHSA-N 1 0 331.460 2.327 20 70 EEIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@H]1SCCc2sccc21 ZINC000160506708 206300969 /nfs/dbraw/zinc/30/09/69/206300969.db2.gz DEHUBQVJQCFZIB-DOMZBBRYSA-N 1 0 340.514 2.042 20 70 EEIDRO COc1ccc([C@@H](C)CC(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000160652692 206307554 /nfs/dbraw/zinc/30/75/54/206307554.db2.gz FVXNNUFVEDIMHM-DOTOQJQBSA-N 1 0 334.460 2.152 20 70 EEIDRO C[NH2+][C@H]1CCN(C(=O)c2cccc(NC(=O)c3cccs3)c2)C1 ZINC000160750245 206311122 /nfs/dbraw/zinc/31/11/22/206311122.db2.gz XLZHUIAGENDXSM-AWEZNQCLSA-N 1 0 329.425 2.434 20 70 EEIDRO C[NH2+][C@H]1CCN(C(=O)c2cccc(-n3nccc3C(F)(F)F)c2)C1 ZINC000160803765 206313973 /nfs/dbraw/zinc/31/39/73/206313973.db2.gz QUSGHKPJSVAFES-LBPRGKRZSA-N 1 0 338.333 2.325 20 70 EEIDRO C[C@H](CNC(=O)Nc1ccn(CC(F)(F)F)n1)C[NH+]1CCCC1 ZINC000160869824 206316272 /nfs/dbraw/zinc/31/62/72/206316272.db2.gz AKYPUJPVDVMMDZ-LLVKDONJSA-N 1 0 333.358 2.299 20 70 EEIDRO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2ccn(CC(F)(F)F)n2)C1 ZINC000160900664 206317501 /nfs/dbraw/zinc/31/75/01/206317501.db2.gz JFEORSMPJOTKHB-LLVKDONJSA-N 1 0 333.358 2.393 20 70 EEIDRO CC(=O)NC1CCC(Nc2cccc(CN3CC[NH+](C)CC3)c2)CC1 ZINC000161100906 206328340 /nfs/dbraw/zinc/32/83/40/206328340.db2.gz OZIQTZUVQDPVCT-UHFFFAOYSA-N 1 0 344.503 2.293 20 70 EEIDRO CCn1nnnc1-c1cccc(NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)c1 ZINC000161127860 206329191 /nfs/dbraw/zinc/32/91/91/206329191.db2.gz FZWMOJFMJUCOMU-QGZVFWFLSA-N 1 0 348.410 2.013 20 70 EEIDRO CCC(=O)N1CC[C@@H](C(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)C1 ZINC000161339356 206341402 /nfs/dbraw/zinc/34/14/02/206341402.db2.gz QGMMBEUDSBYCCB-CVEARBPZSA-N 1 0 347.459 2.100 20 70 EEIDRO COc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3CCCCO3)CC2)cc1 ZINC000161404313 206346256 /nfs/dbraw/zinc/34/62/56/206346256.db2.gz SEQHKAWQBFAFKO-GOSISDBHSA-N 1 0 332.444 2.299 20 70 EEIDRO COC(=O)c1ccc2[nH]cc(C(=O)C[N@H+](C)C[C@H]3CCOC3)c2c1 ZINC000161426624 206347490 /nfs/dbraw/zinc/34/74/90/206347490.db2.gz BDORHVFIPKCNGL-GFCCVEGCSA-N 1 0 330.384 2.106 20 70 EEIDRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C2CCN(C)CC2)cc1 ZINC000161488592 206351756 /nfs/dbraw/zinc/35/17/56/206351756.db2.gz DEVPXKQSDQBHDK-CYBMUJFWSA-N 1 0 325.478 2.193 20 70 EEIDRO C[C@@H](C(=O)NCc1ccccc1OCCO)[C@@H]([NH3+])c1ccccc1 ZINC000159808875 533286011 /nfs/dbraw/zinc/28/60/11/533286011.db2.gz VFBLHJKLPFMFAZ-RDTXWAMCSA-N 1 0 328.412 2.010 20 70 EEIDRO O=C(c1cnn(-c2ccc(F)cc2)n1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000159393104 143798080 /nfs/dbraw/zinc/79/80/80/143798080.db2.gz LJQTXJFKWAVNJN-MRXNPFEDSA-N 1 0 343.406 2.107 20 70 EEIDRO C[NH+](C)CC1(CNC(=O)Nc2ccnn2C[C@H]2CCOC2)CCCC1 ZINC000159481911 143799604 /nfs/dbraw/zinc/79/96/04/143799604.db2.gz DDOMKMSSAAEXSA-OAHLLOKOSA-N 1 0 349.479 2.163 20 70 EEIDRO CN(C)C(=O)Nc1ccc(Cl)c(C(=O)NC[C@H]2CC[N@H+](C)C2)c1 ZINC000160110004 225340402 /nfs/dbraw/zinc/34/04/02/225340402.db2.gz KFXVQGBCDTXJAI-LLVKDONJSA-N 1 0 338.839 2.115 20 70 EEIDRO C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCN(C(=O)c2ccc(C)cc2)C1 ZINC000161337507 277277641 /nfs/dbraw/zinc/27/76/41/277277641.db2.gz MIKOTIIQPLJMRN-MSOLQXFVSA-N 1 0 343.471 2.058 20 70 EEIDRO COc1cccc([C@H](C[NH2+]C2CCC(NC(C)=O)CC2)N(C)C)c1 ZINC000161209205 295325891 /nfs/dbraw/zinc/32/58/91/295325891.db2.gz PYFCYBDECIXPCC-TVPLGVNVSA-N 1 0 333.476 2.335 20 70 EEIDRO Cn1c2nnc(C[N@@H+]3CC[C@@H]4CCCC[C@@H]43)n2c2ccccc2c1=O ZINC000159625892 311343982 /nfs/dbraw/zinc/34/39/82/311343982.db2.gz YSXQGPVUZLXZLD-ZFWWWQNUSA-N 1 0 337.427 2.346 20 70 EEIDRO C[NH+](C)Cc1cccc(CNC(=O)c2cnc(C(F)(F)F)nc2)c1 ZINC000159984268 311348872 /nfs/dbraw/zinc/34/88/72/311348872.db2.gz NIOSTPLFHJVMQB-UHFFFAOYSA-N 1 0 338.333 2.487 20 70 EEIDRO CC(=O)CCC(C)(C)C(=O)NC[C@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000160496867 311354567 /nfs/dbraw/zinc/35/45/67/311354567.db2.gz UYJNHFCKUYZFQE-QZTJIDSGSA-N 1 0 346.471 2.133 20 70 EEIDRO C[C@H]1CCC[C@@H](C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C1 ZINC000159533545 463290915 /nfs/dbraw/zinc/29/09/15/463290915.db2.gz JMCUOKJRXKLXCL-DOTOQJQBSA-N 1 0 330.476 2.276 20 70 EEIDRO CCOC(=O)CCc1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000159638689 463296496 /nfs/dbraw/zinc/29/64/96/463296496.db2.gz HCBQYXFUEXSCHX-UHFFFAOYSA-N 1 0 333.432 2.398 20 70 EEIDRO CC[N@H+](CC1CCN(C(=O)C(C)(C)C)CC1)[C@H](C)CS(C)(=O)=O ZINC000159657960 463297282 /nfs/dbraw/zinc/29/72/82/463297282.db2.gz CLNXJYMAWWDVCY-CQSZACIVSA-N 1 0 346.537 2.026 20 70 EEIDRO CCC(O)(CC)CNC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000159989815 463314785 /nfs/dbraw/zinc/31/47/85/463314785.db2.gz HFIXUCPGVFBCLF-RDJZCZTQSA-N 1 0 333.476 2.357 20 70 EEIDRO CCOC(=O)C[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000160076642 463317039 /nfs/dbraw/zinc/31/70/39/463317039.db2.gz WUCJSDWHZKZBSD-RDJZCZTQSA-N 1 0 332.444 2.357 20 70 EEIDRO O=C(NCC1CC[NH+](CCO)CC1)c1ccccc1C(F)(F)F ZINC000160598762 463353934 /nfs/dbraw/zinc/35/39/34/463353934.db2.gz OEZHZKDAPVZDGH-UHFFFAOYSA-N 1 0 330.350 2.140 20 70 EEIDRO CC(C)(C(=O)NCC1CC[NH+](CCO)CC1)c1ccc(Cl)cc1 ZINC000160613339 463355260 /nfs/dbraw/zinc/35/52/60/463355260.db2.gz GADMTXOYLQSUBS-UHFFFAOYSA-N 1 0 338.879 2.438 20 70 EEIDRO COc1cc(Br)ccc1C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000161048297 463395584 /nfs/dbraw/zinc/39/55/84/463395584.db2.gz AVDRYOXXGKRCFM-MNOVXSKESA-N 1 0 327.222 2.457 20 70 EEIDRO COc1ccc(CCC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c(OC)c1OC ZINC000161292274 463416816 /nfs/dbraw/zinc/41/68/16/463416816.db2.gz CNTQETCQJFLRPB-UONOGXRCSA-N 1 0 336.432 2.031 20 70 EEIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1nc(C(C)C)n(-c2ccccc2F)n1 ZINC000161290552 463416881 /nfs/dbraw/zinc/41/68/81/463416881.db2.gz UOKFMWSWQKZFIL-ZDUSSCGKSA-N 1 0 345.422 2.354 20 70 EEIDRO COCc1cc(NC[C@@H]2CCC[N@H+](CC(C)C)C2)n2ncnc2n1 ZINC000161302640 463418008 /nfs/dbraw/zinc/41/80/08/463418008.db2.gz CBOAKLHDHQZGGZ-AWEZNQCLSA-N 1 0 332.452 2.051 20 70 EEIDRO C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C)NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000161331630 463421945 /nfs/dbraw/zinc/42/19/45/463421945.db2.gz ZHWMNMALZXVWNE-RHSMWYFYSA-N 1 0 345.487 2.313 20 70 EEIDRO Cc1nc(-c2ccc(C(=O)N[C@@H]3C[N@H+](C(C)C)C[C@@H]3C)cc2)n[nH]1 ZINC000161374081 463426319 /nfs/dbraw/zinc/42/63/19/463426319.db2.gz VXDALLBSCPHNAJ-BLLLJJGKSA-N 1 0 327.432 2.239 20 70 EEIDRO CC[C@H]1Oc2cc([C@H](C)NC(=O)c3ccc(C[NH3+])o3)ccc2NC1=O ZINC000161373122 463426846 /nfs/dbraw/zinc/42/68/46/463426846.db2.gz ULALJJJQLKTHTE-IINYFYTJSA-N 1 0 343.383 2.339 20 70 EEIDRO O=C(NCC1CC[NH+](CCO)CC1)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000160710783 534820048 /nfs/dbraw/zinc/82/00/48/534820048.db2.gz DIEPTLLYCKHHEL-KBPBESRZSA-N 1 0 336.398 2.176 20 70 EEIDRO CCCOc1cccc(CNC(=O)C[N@H+](C)C[C@H]2CCC[C@@H]2O)c1 ZINC000159639624 206255601 /nfs/dbraw/zinc/25/56/01/206255601.db2.gz PUJAFQUBYBMJIM-AEFFLSMTSA-N 1 0 334.460 2.184 20 70 EEIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(F)cc1C(F)(F)F ZINC000160028438 206275750 /nfs/dbraw/zinc/27/57/50/206275750.db2.gz UZTYYHYPONFZAF-GFCCVEGCSA-N 1 0 348.340 2.421 20 70 EEIDRO Cc1nc(-c2ccco2)ccc1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160115529 206280724 /nfs/dbraw/zinc/28/07/24/206280724.db2.gz AORRERCXCCVYSR-OAHLLOKOSA-N 1 0 343.427 2.227 20 70 EEIDRO Cc1ccc(OCCC(=O)NC[C@@H](O)C[NH+]2CCCCC2)c(C)c1 ZINC000160191261 206283224 /nfs/dbraw/zinc/28/32/24/206283224.db2.gz PHRHEKVSXWNNDN-QGZVFWFLSA-N 1 0 334.460 2.035 20 70 EEIDRO Cc1c(/C=C/C(=O)Nc2ccc(OCC[NH+](C)C)cc2)cnn1C ZINC000160220141 206285038 /nfs/dbraw/zinc/28/50/38/206285038.db2.gz ACNKRDWJUVSZIX-BJMVGYQFSA-N 1 0 328.416 2.321 20 70 EEIDRO [NH3+]C[C@@H]1CCCN1C(=O)c1cnc(-c2ccc3c(c2)OCO3)s1 ZINC000160212715 206285374 /nfs/dbraw/zinc/28/53/74/206285374.db2.gz LKGHFBVPVGHBRR-NSHDSACASA-N 1 0 331.397 2.102 20 70 EEIDRO Cc1cncc(/C=C/C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000160475950 206298870 /nfs/dbraw/zinc/29/88/70/206298870.db2.gz QERXVXRRRKMVFC-MIVXPEEVSA-N 1 0 331.460 2.407 20 70 EEIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000160555027 206303847 /nfs/dbraw/zinc/30/38/47/206303847.db2.gz AAVRSDOOHQZNFP-MRXNPFEDSA-N 1 0 329.444 2.422 20 70 EEIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(N3CCCC3=O)cc1)CC2 ZINC000160528916 206301847 /nfs/dbraw/zinc/30/18/47/206301847.db2.gz WTWVTJBBJKBRDC-CJNGLKHVSA-N 1 0 339.443 2.379 20 70 EEIDRO CC(C)CONC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000160779980 206312949 /nfs/dbraw/zinc/31/29/49/206312949.db2.gz ZBOFAROJJDBCJM-UHFFFAOYSA-N 1 0 335.448 2.030 20 70 EEIDRO C[NH+](C)C1CN(C(=O)Nc2ccc(CNC(=O)OC(C)(C)C)cc2)C1 ZINC000160972633 206321054 /nfs/dbraw/zinc/32/10/54/206321054.db2.gz XQXKOAOBSNKDGD-UHFFFAOYSA-N 1 0 348.447 2.489 20 70 EEIDRO C[N@H+](CCO)C1CCN(C(=O)N[C@H]2CCSc3ccccc32)CC1 ZINC000161227081 206336140 /nfs/dbraw/zinc/33/61/40/206336140.db2.gz SKZIHINTZPBCTH-INIZCTEOSA-N 1 0 349.500 2.322 20 70 EEIDRO O=C(NCCC[NH2+]C1CCC2(CC1)OCCO2)c1ccc(F)cc1 ZINC000161502408 206353887 /nfs/dbraw/zinc/35/38/87/206353887.db2.gz JZLNKDOXLULPMS-UHFFFAOYSA-N 1 0 336.407 2.221 20 70 EEIDRO CC[NH2+]CC1CCN(C(=O)[C@H]2CCCCN2C(=O)c2ccco2)CC1 ZINC000161032293 285585540 /nfs/dbraw/zinc/58/55/40/285585540.db2.gz SWZHYWDWVSCBTC-MRXNPFEDSA-N 1 0 347.459 2.122 20 70 EEIDRO Cc1ccc(Br)cc1S(=O)(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000159913586 143804971 /nfs/dbraw/zinc/80/49/71/143804971.db2.gz KTRIMQVIDDQSJT-LBPRGKRZSA-N 1 0 347.278 2.115 20 70 EEIDRO Cc1ccc([C@H](CNC(=O)N2CCC[C@](C)(O)C2)[NH+]2CCCC2)o1 ZINC000161498924 292252414 /nfs/dbraw/zinc/25/24/14/292252414.db2.gz VJSUQCDRUNFYHL-YJBOKZPZSA-N 1 0 335.448 2.281 20 70 EEIDRO C[N@H+](CC(=O)NCc1ccccc1OC(F)F)[C@@H]1CCSC1 ZINC000159503370 311342192 /nfs/dbraw/zinc/34/21/92/311342192.db2.gz MVHMELLRLWVTLQ-GFCCVEGCSA-N 1 0 330.400 2.342 20 70 EEIDRO CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@@H]1CCN(C2CC2)C1=O ZINC000160060702 311349507 /nfs/dbraw/zinc/34/95/07/311349507.db2.gz SVYFITODROYVOQ-GOSISDBHSA-N 1 0 342.487 2.383 20 70 EEIDRO Cc1cccc(-n2cc(C(=O)N[C@@H](C)C[NH+]3CCCCC3)nn2)c1 ZINC000160108469 311350097 /nfs/dbraw/zinc/35/00/97/311350097.db2.gz CREUXIRYFCXDIT-HNNXBMFYSA-N 1 0 327.432 2.180 20 70 EEIDRO C[C@@H](Cc1cccc(Cl)c1)C(=O)NCCCN1CC[NH+](C)CC1 ZINC000160192952 311350888 /nfs/dbraw/zinc/35/08/88/311350888.db2.gz PPMGSZAEIWAZBR-HNNXBMFYSA-N 1 0 337.895 2.272 20 70 EEIDRO CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1cccnc1-c1ccccc1 ZINC000160670371 311357354 /nfs/dbraw/zinc/35/73/54/311357354.db2.gz DBXALFPGXLUNOZ-UHFFFAOYSA-N 1 0 340.427 2.144 20 70 EEIDRO CCN(CC(=O)NCCc1ccc(Cl)cc1)Cc1cnn(C)c1 ZINC000161078549 311361879 /nfs/dbraw/zinc/36/18/79/311361879.db2.gz HDDRLUQWVBYHLT-UHFFFAOYSA-N 1 0 334.851 2.254 20 70 EEIDRO COc1ccccc1[C@H](CNC(=O)c1cc(C)ncn1)[NH+]1CCCC1 ZINC000161245836 311363831 /nfs/dbraw/zinc/36/38/31/311363831.db2.gz LXAVEUSQTAFOCQ-KRWDZBQOSA-N 1 0 340.427 2.361 20 70 EEIDRO C[N@@H+]1CCCC[C@H]1CN1CCN(c2nc(C(C)(C)C)ns2)CC1 ZINC000159382445 463282744 /nfs/dbraw/zinc/28/27/44/463282744.db2.gz FUMLLKCJZHTBMX-AWEZNQCLSA-N 1 0 337.537 2.442 20 70 EEIDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccc3[nH]ccc32)C1 ZINC000159452583 463287741 /nfs/dbraw/zinc/28/77/41/463287741.db2.gz LZOXPAQCAIDPMX-AWEZNQCLSA-N 1 0 342.443 2.201 20 70 EEIDRO CC(=O)Nc1ccc(S[C@@H](C)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000159755406 463303747 /nfs/dbraw/zinc/30/37/47/463303747.db2.gz SMKGFCRGODEPKV-VBNZEHGJSA-N 1 0 347.484 2.479 20 70 EEIDRO NC(=O)CC1CC[NH+](Cc2ccc(OC[C@@H]3CCCO3)cc2)CC1 ZINC000159788496 463304860 /nfs/dbraw/zinc/30/48/60/463304860.db2.gz NNGMYDHCNMJIKR-SFHVURJKSA-N 1 0 332.444 2.332 20 70 EEIDRO CC(C)C[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccnn1C[C@@H]1CCOC1 ZINC000159819239 463306255 /nfs/dbraw/zinc/30/62/55/463306255.db2.gz BZERZPNXUNSDTQ-HOTGVXAUSA-N 1 0 349.479 2.162 20 70 EEIDRO Cc1cccc(-n2cc(C(=O)N3CC[NH+](C4CCCC4)CC3)nn2)c1 ZINC000159827616 463307086 /nfs/dbraw/zinc/30/70/86/463307086.db2.gz KYMHEEBWBPNEAD-UHFFFAOYSA-N 1 0 339.443 2.276 20 70 EEIDRO CC[C@@H](C)[C@H](O)CNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000159940168 463311957 /nfs/dbraw/zinc/31/19/57/463311957.db2.gz SSAUJXWHDJCFFW-CYGHRXIMSA-N 1 0 333.476 2.213 20 70 EEIDRO CC(C)OC(=O)CCCNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000160121338 463320282 /nfs/dbraw/zinc/32/02/82/463320282.db2.gz AYFWIAXCGXHKDU-INIZCTEOSA-N 1 0 339.480 2.378 20 70 EEIDRO CCC(CC)(C[NH3+])C(=O)Nc1ccc(C)c(NS(C)(=O)=O)c1 ZINC000161173284 463407106 /nfs/dbraw/zinc/40/71/06/463407106.db2.gz UKSIHKLYCJZHCC-UHFFFAOYSA-N 1 0 327.450 2.070 20 70 EEIDRO CCC[C@](C)(CO)NC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000161340687 463423532 /nfs/dbraw/zinc/42/35/32/463423532.db2.gz TZMKYNYRAMAIIJ-HNAYVOBHSA-N 1 0 348.491 2.457 20 70 EEIDRO CC[C@H]1Oc2cc([C@H](C)NC(=O)C3(C[NH3+])CCCC3)ccc2NC1=O ZINC000161369110 463425770 /nfs/dbraw/zinc/42/57/70/463425770.db2.gz HVLDWDZXUFIFMC-SWLSCSKDSA-N 1 0 345.443 2.492 20 70 EEIDRO O=C(CN1CCN(c2cc[nH+]cc2)CC1)Nc1cc(F)ccc1F ZINC000161311405 539525619 /nfs/dbraw/zinc/52/56/19/539525619.db2.gz ULSJZBAHGRUQLD-UHFFFAOYSA-N 1 0 332.354 2.121 20 70 EEIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)C2CCC(NC(=O)C3CCCC3)CC2)C1 ZINC000161048974 539525238 /nfs/dbraw/zinc/52/52/38/539525238.db2.gz DKTFLSWUNGPCCF-ODZFXCKXSA-N 1 0 335.492 2.238 20 70 EEIDRO CC[N@@H+]1CCCN(C(=O)NCc2cnn(Cc3ccccc3)c2)CC1 ZINC000159665056 206257076 /nfs/dbraw/zinc/25/70/76/206257076.db2.gz FGAVXSNFYDRMIN-UHFFFAOYSA-N 1 0 341.459 2.169 20 70 EEIDRO Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@H+](C)C[C@@H]2CCC[C@@H]2O)c(C)c1 ZINC000159507215 206249498 /nfs/dbraw/zinc/24/94/98/206249498.db2.gz SJFXQWWYDOMWDD-ZOBUZTSGSA-N 1 0 347.459 2.433 20 70 EEIDRO Cc1cnn(-c2ccc(NC(=O)C[NH2+]C[C@@H]3CCCO3)cc2F)c1 ZINC000159775993 206262610 /nfs/dbraw/zinc/26/26/10/206262610.db2.gz CZQSRJKXJJLGOB-AWEZNQCLSA-N 1 0 332.379 2.027 20 70 EEIDRO COc1ccc(-c2n[nH]cc2C[NH+]2CCC(CC(N)=O)CC2)cc1 ZINC000159837902 206264602 /nfs/dbraw/zinc/26/46/02/206264602.db2.gz YERLRXJNHHEXFS-UHFFFAOYSA-N 1 0 328.416 2.173 20 70 EEIDRO C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000159832743 206266039 /nfs/dbraw/zinc/26/60/39/206266039.db2.gz DPWXYIIMRRJDJF-ZDUSSCGKSA-N 1 0 334.464 2.197 20 70 EEIDRO O=S(=O)(c1c[nH]c2ncccc12)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160116191 206280816 /nfs/dbraw/zinc/28/08/16/206280816.db2.gz XYDWPSYBCRYOPJ-CQSZACIVSA-N 1 0 348.472 2.202 20 70 EEIDRO C[NH2+][C@@H]1CCN(C(=O)/C=C/c2ccc(OC(F)F)c(OC)c2)C1 ZINC000160698106 206308448 /nfs/dbraw/zinc/30/84/48/206308448.db2.gz PUDIINHIFNNAKY-FVOPLDGLSA-N 1 0 326.343 2.130 20 70 EEIDRO COc1cccc(CC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000160756243 206311456 /nfs/dbraw/zinc/31/14/56/206311456.db2.gz GEYPQTSMOCSIED-OALUTQOASA-N 1 0 346.471 2.122 20 70 EEIDRO CC[NH2+]CC1CCN(C(=O)c2cccc(NC(=O)NC3CC3)c2)CC1 ZINC000161140465 206331598 /nfs/dbraw/zinc/33/15/98/206331598.db2.gz BJKRHOBJZLQYPE-UHFFFAOYSA-N 1 0 344.459 2.432 20 70 EEIDRO CC[NH2+]CC1CCN(C(=O)c2ccc(N3CCCC3=O)cc2)CC1 ZINC000161035870 206324901 /nfs/dbraw/zinc/32/49/01/206324901.db2.gz ZJUXNCIPSUCVGL-UHFFFAOYSA-N 1 0 329.444 2.275 20 70 EEIDRO COC[C@@H](C)[NH2+]CCC(=O)N(C)Cc1ccccc1Br ZINC000161042206 206324998 /nfs/dbraw/zinc/32/49/98/206324998.db2.gz HVGRZAWAZKLQBV-GFCCVEGCSA-N 1 0 343.265 2.422 20 70 EEIDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCC(CO)CC2)CC1 ZINC000161196408 206333945 /nfs/dbraw/zinc/33/39/45/206333945.db2.gz QATKJRSMHKOMAR-OAHLLOKOSA-N 1 0 346.475 2.021 20 70 EEIDRO CC(C)c1ccc(N2CC[C@@H](C(=O)NC[C@H]3CC[N@H+](C)C3)C2=O)cc1 ZINC000161315927 206340726 /nfs/dbraw/zinc/34/07/26/206340726.db2.gz ZDICIBUODHMZKJ-QAPCUYQASA-N 1 0 343.471 2.231 20 70 EEIDRO CC[C@@H]1Oc2cc([C@@H](C)NC(=O)C3(C[NH3+])CCCC3)ccc2NC1=O ZINC000161368982 255803168 /nfs/dbraw/zinc/80/31/68/255803168.db2.gz HVLDWDZXUFIFMC-DOMZBBRYSA-N 1 0 345.443 2.492 20 70 EEIDRO CC[NH+](CC)CCN(CC(C)C)C(=O)c1cnc2c(c1)ncn2C ZINC000159651095 143801175 /nfs/dbraw/zinc/80/11/75/143801175.db2.gz DEVYZMDFHZDPMD-UHFFFAOYSA-N 1 0 331.464 2.408 20 70 EEIDRO CC(C)[NH+]1CCN(C(=O)[C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000159555105 311343068 /nfs/dbraw/zinc/34/30/68/311343068.db2.gz RHFLDBLPHPRAAN-LSDHHAIUSA-N 1 0 339.480 2.232 20 70 EEIDRO Cc1c(CNC(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)cnn1C ZINC000159722677 311345079 /nfs/dbraw/zinc/34/50/79/311345079.db2.gz ATYIEYMUWFCFKD-QGZVFWFLSA-N 1 0 335.496 2.284 20 70 EEIDRO COC(C)(C)C[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000160259036 311352174 /nfs/dbraw/zinc/35/21/74/311352174.db2.gz ITBUMTGVWVZNQU-GFCCVEGCSA-N 1 0 332.238 2.203 20 70 EEIDRO CCN(CC(=O)N[C@@H](C)c1ccccc1OC)Cc1cnn(C)c1 ZINC000161091781 311361970 /nfs/dbraw/zinc/36/19/70/311361970.db2.gz CRMNCTRVJXZFCK-AWEZNQCLSA-N 1 0 330.432 2.128 20 70 EEIDRO C[C@H](NC(=O)N(C)[C@@H]1CCCc2c1cnn2C)C(C)(C)C[NH+](C)C ZINC000159533294 463291444 /nfs/dbraw/zinc/29/14/44/463291444.db2.gz HXUPHRBLDXSTLW-DZGCQCFKSA-N 1 0 335.496 2.415 20 70 EEIDRO C[N@@H+](CC(=O)N1CCc2[nH]c3ccccc3c2C1)C[C@@H]1CCC[C@@H]1O ZINC000159735091 463302286 /nfs/dbraw/zinc/30/22/86/463302286.db2.gz GSGNKCQYIZSPCB-LIRRHRJNSA-N 1 0 341.455 2.145 20 70 EEIDRO Cc1c[nH]c(=O)n1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000159859499 463308266 /nfs/dbraw/zinc/30/82/66/463308266.db2.gz CVBIRIXQTHMIFH-KBPBESRZSA-N 1 0 344.459 2.428 20 70 EEIDRO COCCc1ccc(OCCCC(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000161256602 463413441 /nfs/dbraw/zinc/41/34/41/463413441.db2.gz IQSOTKQFGYJCTA-IRXDYDNUSA-N 1 0 334.460 2.421 20 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/nfs/dbraw/zinc/52/76/33/539527633.db2.gz PEKISARCZLWWOZ-PKOBYXMFSA-N 1 0 342.487 2.385 20 70 EEIDRO CS(=O)(=O)NCC[C@@H]1CCCCN1Cc1csc(C2CC2)n1 ZINC000161434092 539528303 /nfs/dbraw/zinc/52/83/03/539528303.db2.gz SJVUGMRVKPDZBR-AWEZNQCLSA-N 1 0 343.518 2.314 20 70 EEIDRO Cc1ccc(SCCC(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000160152457 237235724 /nfs/dbraw/zinc/23/57/24/237235724.db2.gz MGSCNTXFTYRZBT-MRXNPFEDSA-N 1 0 336.501 2.440 20 70 EEIDRO O=C(c1cc2c([nH]c1=O)CCCCC2)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000159395860 296188844 /nfs/dbraw/zinc/18/88/44/296188844.db2.gz NRVFDXALSVGDBJ-INIZCTEOSA-N 1 0 343.471 2.344 20 70 EEIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](C)c2cccc(NC(C)=O)c2)CC1 ZINC000159595738 206254445 /nfs/dbraw/zinc/25/44/45/206254445.db2.gz CEBWCIUDZNRSND-AWEZNQCLSA-N 1 0 332.448 2.443 20 70 EEIDRO CCOc1ccc(CNC(=O)N2CCC[N@H+](CC)CC2)cc1OC ZINC000159605640 206254671 /nfs/dbraw/zinc/25/46/71/206254671.db2.gz QVAGSAFZYYTUQJ-UHFFFAOYSA-N 1 0 335.448 2.331 20 70 EEIDRO 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CC(=O)NC1CCC([NH2+]Cc2ccccc2CN2CCCC2=O)CC1 ZINC000161272553 206338524 /nfs/dbraw/zinc/33/85/24/206338524.db2.gz GFEVLLLESAEZBP-UHFFFAOYSA-N 1 0 343.471 2.346 20 70 EEIDRO CN(CC1(O)CCCC1)C(=O)Nc1ccccc1CN1CCOCC1 ZINC000161386575 206345330 /nfs/dbraw/zinc/34/53/30/206345330.db2.gz CXEIDCOWZGCNMU-UHFFFAOYSA-N 1 0 347.459 2.288 20 70 EEIDRO CC[NH+]1CCN(CCCNC(=O)[C@@H]2C[C@@H]2c2sccc2C)CC1 ZINC000161498774 206353720 /nfs/dbraw/zinc/35/37/20/206353720.db2.gz JWIBICNTVLSSHK-JKSUJKDBSA-N 1 0 335.517 2.304 20 70 EEIDRO O=C(C[C@@H]1CCC[NH2+]1)N[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000160935161 225509582 /nfs/dbraw/zinc/50/95/82/225509582.db2.gz VXCAKPYUMQPHFS-GXTWGEPZSA-N 1 0 335.835 2.094 20 70 EEIDRO Cc1sc2ncnc(SCC(=O)N3CCC[C@@H]3C[NH3+])c2c1C ZINC000160336469 294091158 /nfs/dbraw/zinc/09/11/58/294091158.db2.gz BEAPWKDZWUVSKF-LLVKDONJSA-N 1 0 336.486 2.350 20 70 EEIDRO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N[C@@H]2CCC[C@H]2OC)c1 ZINC000159884779 311347569 /nfs/dbraw/zinc/34/75/69/311347569.db2.gz QQAKEIYPSBJZLM-IAGOWNOFSA-N 1 0 347.459 2.151 20 70 EEIDRO C[C@H]1C[C@H](NC(=O)N2C[C@@H](C)O[C@@H](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000160028085 311349116 /nfs/dbraw/zinc/34/91/16/311349116.db2.gz WRYFCNOWHZXWMK-CUSZFKRNSA-N 1 0 331.460 2.468 20 70 EEIDRO CCOCCC1(CNC(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000160247029 311351899 /nfs/dbraw/zinc/35/18/99/311351899.db2.gz BYOFXMQWNPGIOX-INIZCTEOSA-N 1 0 325.497 2.470 20 70 EEIDRO C[C@H](C[NH+]1CCCCC1)NC(=O)N(C)CCC(=O)OC(C)(C)C ZINC000160302992 311352764 /nfs/dbraw/zinc/35/27/64/311352764.db2.gz LNKBBHOCIUYPNE-CQSZACIVSA-N 1 0 327.469 2.234 20 70 EEIDRO C[C@H]1CCC[C@@](CNC(=O)c2ccc3[nH]c(=O)n(C)c3c2)([NH+](C)C)C1 ZINC000160415416 311353781 /nfs/dbraw/zinc/35/37/81/311353781.db2.gz CFOFDRQFNCNECI-ORAYPTAESA-N 1 0 344.459 2.107 20 70 EEIDRO COc1cccc(COCCNC(=O)N2CC[N@H+](C)C[C@H]2C(C)C)c1 ZINC000160570108 311355970 /nfs/dbraw/zinc/35/59/70/311355970.db2.gz JZOILQOKTKUQDX-SFHVURJKSA-N 1 0 349.475 2.193 20 70 EEIDRO CCC[NH+]1CCC(NC(=O)NCCOCc2cccc(OC)c2)CC1 ZINC000161266871 311364355 /nfs/dbraw/zinc/36/43/55/311364355.db2.gz GDBLYIJBONUAGE-UHFFFAOYSA-N 1 0 349.475 2.385 20 70 EEIDRO Cc1ccc(CN2C[C@H](C(=O)NCC3([NH3+])CCCCC3)CC2=O)cc1 ZINC000159560668 463292737 /nfs/dbraw/zinc/29/27/37/463292737.db2.gz ZXWIVHBNRLJVAV-QGZVFWFLSA-N 1 0 343.471 2.121 20 70 EEIDRO Cc1cccc(C(=O)N[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C(C)C)c1 ZINC000159578707 463293865 /nfs/dbraw/zinc/29/38/65/463293865.db2.gz RXEPSHNNHRYCLX-KSZLIROESA-N 1 0 343.471 2.102 20 70 EEIDRO Cc1nc(CC(C)C)c(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)s1 ZINC000160361707 463331485 /nfs/dbraw/zinc/33/14/85/463331485.db2.gz UMQHRBTUFOBBKF-CQSZACIVSA-N 1 0 339.505 2.227 20 70 EEIDRO C[C@H]([NH2+]CC(C)(C)O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000160642295 463357997 /nfs/dbraw/zinc/35/79/97/463357997.db2.gz XHHMTGXMHFRAFU-AWEZNQCLSA-N 1 0 340.489 2.283 20 70 EEIDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000160914236 463381926 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[NH3+]CCCNC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 ZINC000160070297 206278073 /nfs/dbraw/zinc/27/80/73/206278073.db2.gz INALWXAFEQNIQA-QGZVFWFLSA-N 1 0 325.412 2.013 20 70 EEIDRO CC(C)[C@@H](CNC(=O)[C@@H](C)Cc1ccccc1F)[NH+]1CCN(C)CC1 ZINC000160052775 206278270 /nfs/dbraw/zinc/27/82/70/206278270.db2.gz ISXUXBFNNKSRDQ-QFBILLFUSA-N 1 0 349.494 2.393 20 70 EEIDRO C[N@@H+]1CC[C@@H](CNC(=O)Cc2ccc(Br)c(F)c2)C1 ZINC000160102692 206279525 /nfs/dbraw/zinc/27/95/25/206279525.db2.gz NXOCIPOHYXZXNF-NSHDSACASA-N 1 0 329.213 2.199 20 70 EEIDRO Cc1nc(-c2c[nH]c(C(=O)NC[C@@H](O)C[NH+]3CCCCC3)c2)cs1 ZINC000160171858 206282669 /nfs/dbraw/zinc/28/26/69/206282669.db2.gz XMGVIKCTQBEPBG-CQSZACIVSA-N 1 0 348.472 2.023 20 70 EEIDRO C[NH+](C)CCN(Cc1ccco1)C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000160338240 206290726 /nfs/dbraw/zinc/29/07/26/206290726.db2.gz GJEDLKFBYBLLQR-NVXWUHKLSA-N 1 0 335.448 2.310 20 70 EEIDRO CC[C@H](C(=O)NCc1ccc(OC)c(Br)c1)[NH+](C)C ZINC000160332005 206290767 /nfs/dbraw/zinc/29/07/67/206290767.db2.gz YAEKECPDEHYEMK-GFCCVEGCSA-N 1 0 329.238 2.414 20 70 EEIDRO CC(=O)N1CCc2cc(C(=O)NC[C@H]3CCC[N@H+]3CC(C)C)ccc21 ZINC000160386064 206294002 /nfs/dbraw/zinc/29/40/02/206294002.db2.gz MEGTZHKDUKLPAP-GOSISDBHSA-N 1 0 343.471 2.446 20 70 EEIDRO Cc1c(/C=C/C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)cnn1C ZINC000160481967 206299144 /nfs/dbraw/zinc/29/91/44/206299144.db2.gz CAGPSNFYPBAZQJ-JEJOPICUSA-N 1 0 330.407 2.300 20 70 EEIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)C1(c2cccc(Cl)c2)CC1 ZINC000160615864 206306649 /nfs/dbraw/zinc/30/66/49/206306649.db2.gz MGBCPVRMWYKEJA-MRXNPFEDSA-N 1 0 336.863 2.335 20 70 EEIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cccnc1Cl ZINC000160722857 206310226 /nfs/dbraw/zinc/31/02/26/206310226.db2.gz CAVFAZRQOHADSA-GJZGRUSLSA-N 1 0 337.851 2.233 20 70 EEIDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)Nc1ccn(CC(F)(F)F)n1)C2 ZINC000160831466 206315677 /nfs/dbraw/zinc/31/56/77/206315677.db2.gz GXNNMONYUQVRNG-WDEREUQCSA-N 1 0 331.342 2.146 20 70 EEIDRO Cc1conc1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000161129402 206330115 /nfs/dbraw/zinc/33/01/15/206330115.db2.gz PPUMQNOQRCFWRJ-HNNXBMFYSA-N 1 0 348.447 2.082 20 70 EEIDRO Cc1c(/C=C/C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)cnn1C ZINC000160608182 206305762 /nfs/dbraw/zinc/30/57/62/206305762.db2.gz VDOJTBLJFHHPKE-DOJUMQAQSA-N 1 0 326.444 2.031 20 70 EEIDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N(C)CC(C)(C)O)CC1 ZINC000161270448 206338868 /nfs/dbraw/zinc/33/88/68/206338868.db2.gz CTBRGFBOEWKRML-AWEZNQCLSA-N 1 0 334.464 2.019 20 70 EEIDRO CCc1nn(C)c(Cl)c1C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000161386302 206345517 /nfs/dbraw/zinc/34/55/17/206345517.db2.gz ODVNEDXEUMKXDD-GFCCVEGCSA-N 1 0 326.872 2.488 20 70 EEIDRO Cc1nc2ccccc2n1CCNC(=O)N[C@H](CCO)C(C)(C)C ZINC000161450562 206349136 /nfs/dbraw/zinc/34/91/36/206349136.db2.gz LQOWNQDSSXUCBY-MRXNPFEDSA-N 1 0 332.448 2.441 20 70 EEIDRO CCC[NH+]1CCC(NC(=O)Nc2ccn(CC(F)(F)F)n2)CC1 ZINC000160473287 255797427 /nfs/dbraw/zinc/79/74/27/255797427.db2.gz TVXSEZKWNBHLGU-UHFFFAOYSA-N 1 0 333.358 2.441 20 70 EEIDRO CCCCS(=O)(=O)Nc1ccc(NC(=O)C(C)(C)C[NH3+])cc1 ZINC000160661492 255800300 /nfs/dbraw/zinc/80/03/00/255800300.db2.gz CIBNOPLSBJAMIT-UHFFFAOYSA-N 1 0 327.450 2.152 20 70 EEIDRO C[C@H]([NH3+])C(=O)N(C)CCOc1ccc(OCc2ccccc2)cc1 ZINC000160137258 225346429 /nfs/dbraw/zinc/34/64/29/225346429.db2.gz PAHVNTOLJISSSD-HNNXBMFYSA-N 1 0 328.412 2.450 20 70 EEIDRO COc1ccccc1-c1nn(C)cc1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159422076 311340820 /nfs/dbraw/zinc/34/08/20/311340820.db2.gz FUNLAMPCHLWWRZ-OKILXGFUSA-N 1 0 340.427 2.062 20 70 EEIDRO COc1ccc(NC(=O)[C@H](C)[N@H+](C)C[C@@H]2CCC[C@@H]2O)c(OC)c1 ZINC000159660009 311344306 /nfs/dbraw/zinc/34/43/06/311344306.db2.gz KAMCQHCPRKMAKP-XEZPLFJOSA-N 1 0 336.432 2.124 20 70 EEIDRO COCCCOc1cccc(CNC(=O)NC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000159799317 311346636 /nfs/dbraw/zinc/34/66/36/311346636.db2.gz GJLUZQGKWRXNEM-KRWDZBQOSA-N 1 0 349.475 2.243 20 70 EEIDRO CCCCn1ncc(NC(=O)N(CCOC)CC[NH+](C)C)c1C ZINC000159960267 311348418 /nfs/dbraw/zinc/34/84/18/311348418.db2.gz AXBGEPFOOHTMHZ-UHFFFAOYSA-N 1 0 325.457 2.034 20 70 EEIDRO CCC(O)(CC)CNC(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160081608 311349705 /nfs/dbraw/zinc/34/97/05/311349705.db2.gz SLOPDYWHARTLOP-RDJZCZTQSA-N 1 0 333.476 2.500 20 70 EEIDRO CC(C)(C)C1CCC(C[N@@H+]2CCC[C@H](CNS(N)(=O)=O)C2)CC1 ZINC000160309998 311352801 /nfs/dbraw/zinc/35/28/01/311352801.db2.gz ZUGYCPCFTUXWTC-HWOWSKLDSA-N 1 0 345.553 2.344 20 70 EEIDRO COc1cccc(COCCNC(=O)N2CCC([NH2+]C(C)C)CC2)c1 ZINC000160582045 311356126 /nfs/dbraw/zinc/35/61/26/311356126.db2.gz YPVZQKLOVSGGMS-UHFFFAOYSA-N 1 0 349.475 2.384 20 70 EEIDRO O=C(CCCOc1cccc(Br)c1)N1CC[NH2+]CC1 ZINC000159396183 463284383 /nfs/dbraw/zinc/28/43/83/463284383.db2.gz SSZZJVOTZUKYQN-UHFFFAOYSA-N 1 0 327.222 2.040 20 70 EEIDRO Cc1cccc(C[NH+]2CCC(NC(=O)c3cccc(=O)n3C)CC2)c1 ZINC000159599441 463294938 /nfs/dbraw/zinc/29/49/38/463294938.db2.gz MAXXAOPFRDQMTN-UHFFFAOYSA-N 1 0 339.439 2.088 20 70 EEIDRO O=C(NCC[NH2+]C1CCCCCC1)c1cccc2c1OCC(=O)N2 ZINC000159668227 463298744 /nfs/dbraw/zinc/29/87/44/463298744.db2.gz ACNIMTZPJOLURD-UHFFFAOYSA-N 1 0 331.416 2.060 20 70 EEIDRO COc1ccc(CCCCC(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000160682533 463362000 /nfs/dbraw/zinc/36/20/00/463362000.db2.gz AEZFRYNFQSKQSI-SFHVURJKSA-N 1 0 348.487 2.371 20 70 EEIDRO CC[C@H](C)c1cc(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)on1 ZINC000160737266 463366951 /nfs/dbraw/zinc/36/69/51/463366951.db2.gz RQYAIZFDNAADLS-AWEZNQCLSA-N 1 0 335.448 2.373 20 70 EEIDRO O=C(NCCCc1ccc(Br)cc1F)[C@@H]1CCC[NH2+]1 ZINC000160884564 463379294 /nfs/dbraw/zinc/37/92/94/463379294.db2.gz DNTPDXXTIVVWBG-ZDUSSCGKSA-N 1 0 329.213 2.389 20 70 EEIDRO CC1CC[NH+](C2CCC(NS(=O)(=O)N3CCCCC3)CC2)CC1 ZINC000160976170 463387616 /nfs/dbraw/zinc/38/76/16/463387616.db2.gz KRUFSUBZMXBCBU-UHFFFAOYSA-N 1 0 343.537 2.350 20 70 EEIDRO COc1ccc(Br)c(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000161389957 463427796 /nfs/dbraw/zinc/42/77/96/463427796.db2.gz DSIFKKJPEVAWAK-VHSXEESVSA-N 1 0 327.222 2.457 20 70 EEIDRO CC(C)([NH3+])CNC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1 ZINC000160113443 527255638 /nfs/dbraw/zinc/25/56/38/527255638.db2.gz ARMHIJCKWRLEGT-UHFFFAOYSA-N 1 0 333.819 2.017 20 70 EEIDRO CC[C@@H](C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000160180712 529419699 /nfs/dbraw/zinc/41/96/99/529419699.db2.gz ZGKRAXQNDDVACC-DFBGVHRSSA-N 1 0 337.851 2.044 20 70 EEIDRO CN(CCCOc1ccccc1)C(=O)C[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159768671 529825421 /nfs/dbraw/zinc/82/54/21/529825421.db2.gz UGSOTTOVFXSGCH-WMZOPIPTSA-N 1 0 334.460 2.007 20 70 EEIDRO O=C(CC[C@@H]1CCCCO1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160377057 539521553 /nfs/dbraw/zinc/52/15/53/539521553.db2.gz CVMAKSHOUKYUGR-OKZBNKHCSA-N 1 0 338.492 2.220 20 70 EEIDRO C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161336235 539527224 /nfs/dbraw/zinc/52/72/24/539527224.db2.gz IQWHZWBERLZJOS-NUJGCVRESA-N 1 0 330.476 2.287 20 70 EEIDRO CN(C[C@H](O)C1CC1)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000161394387 539527258 /nfs/dbraw/zinc/52/72/58/539527258.db2.gz DACJKWWCUGHKCZ-MSOLQXFVSA-N 1 0 331.460 2.236 20 70 EEIDRO C[C@H](C(=O)NCc1ccc(F)cc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161384357 539527290 /nfs/dbraw/zinc/52/72/90/539527290.db2.gz AXMXRARVHLPBRJ-OAHLLOKOSA-N 1 0 342.418 2.048 20 70 EEIDRO Cc1ccccc1CN(C)C(=O)CN1CCN(c2cc[nH+]cc2)CC1 ZINC000161402162 539528516 /nfs/dbraw/zinc/52/85/16/539528516.db2.gz VARXNJLIVKAQCW-UHFFFAOYSA-N 1 0 338.455 2.171 20 70 EEIDRO C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCN(C(=O)Nc3cccc(C)c3)C2)C1 ZINC000160570190 255798673 /nfs/dbraw/zinc/79/86/73/255798673.db2.gz HXUKSAWNRGEBBC-WBVHZDCISA-N 1 0 344.459 2.059 20 70 EEIDRO C[NH2+][C@@H]1CCN(C(=O)c2ccc(C)c(NC(=O)NC(C)(C)C)c2)C1 ZINC000160631875 255800392 /nfs/dbraw/zinc/80/03/92/255800392.db2.gz XZMMDLACJWYLJP-CQSZACIVSA-N 1 0 332.448 2.349 20 70 EEIDRO C[C@@H](NC(=O)N(C)[C@@H]1CCCc2c1cnn2C)C(C)(C)C[NH+](C)C ZINC000159533433 143799710 /nfs/dbraw/zinc/79/97/10/143799710.db2.gz HXUPHRBLDXSTLW-UKRRQHHQSA-N 1 0 335.496 2.415 20 70 EEIDRO CC(C)OC(=O)CCCNC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000159662366 143801400 /nfs/dbraw/zinc/80/14/00/143801400.db2.gz MLIHTOFCGTZKFC-HNNXBMFYSA-N 1 0 327.469 2.138 20 70 EEIDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(C)C[C@@H]1CCC[C@@H]1O ZINC000160030166 225322893 /nfs/dbraw/zinc/32/28/93/225322893.db2.gz PFCQXCXGYFLVKK-BVBHFADKSA-N 1 0 345.487 2.309 20 70 EEIDRO [NH3+]C[C@H]1CCCN1C(=O)[C@H]1CC(=O)N(c2cccc3ccccc32)C1 ZINC000160161947 225352255 /nfs/dbraw/zinc/35/22/55/225352255.db2.gz QKUNNDPAOSHRAA-JKSUJKDBSA-N 1 0 337.423 2.142 20 70 EEIDRO C[C@H](C(=O)NCCCOCC1CCOCC1)[C@H]([NH3+])c1ccccc1 ZINC000160580576 289352606 /nfs/dbraw/zinc/35/26/06/289352606.db2.gz OIHORXCIZJUVKN-YJBOKZPZSA-N 1 0 334.460 2.272 20 70 EEIDRO COc1ccc(Br)c(CC(=O)NC[C@@H]2CC[N@H+](C)C2)c1 ZINC000159970691 311348458 /nfs/dbraw/zinc/34/84/58/311348458.db2.gz YZLOTKPERKCIHC-NSHDSACASA-N 1 0 341.249 2.068 20 70 EEIDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cnc2c(c1)ncn2C ZINC000160291786 463327619 /nfs/dbraw/zinc/32/76/19/463327619.db2.gz OXVBIOYWZWCUBD-HNNXBMFYSA-N 1 0 329.448 2.353 20 70 EEIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(OC(F)(F)F)cc1 ZINC000160406778 463335929 /nfs/dbraw/zinc/33/59/29/463335929.db2.gz WHRXDGVEXSLTJV-CYBMUJFWSA-N 1 0 346.349 2.162 20 70 EEIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C(=O)N(C)C)cc1 ZINC000160442403 463339617 /nfs/dbraw/zinc/33/96/17/463339617.db2.gz HUTRKKCQPVWMPU-QGZVFWFLSA-N 1 0 331.460 2.239 20 70 EEIDRO COc1cccc(C2(NC(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)CC2)c1 ZINC000160706054 463363241 /nfs/dbraw/zinc/36/32/41/463363241.db2.gz TZWFRVLCUVJDQV-CQSZACIVSA-N 1 0 329.444 2.468 20 70 EEIDRO Cc1ccc2nc(CSCC(=O)N[C@H]3CCC[C@H]([NH3+])C3)cn2c1 ZINC000160776914 463369280 /nfs/dbraw/zinc/36/92/80/463369280.db2.gz PGUSZGWTAQQSNN-KBPBESRZSA-N 1 0 332.473 2.262 20 70 EEIDRO COCCCN(CCc1ccc(OC)cc1)C(=O)C1CC[NH2+]CC1 ZINC000160880334 463379611 /nfs/dbraw/zinc/37/96/11/463379611.db2.gz OOUCSWUOWRLNDK-UHFFFAOYSA-N 1 0 334.460 2.102 20 70 EEIDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cnc2c(c1)ncn2C ZINC000160949045 463384818 /nfs/dbraw/zinc/38/48/18/463384818.db2.gz KWYIDVHIMHNUTL-OAHLLOKOSA-N 1 0 329.448 2.209 20 70 EEIDRO CC[C@@H](COC)[NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000160951327 463385415 /nfs/dbraw/zinc/38/54/15/463385415.db2.gz GNCVWGGVPMFRBY-RKVPGOIHSA-N 1 0 334.460 2.451 20 70 EEIDRO O=C(N[C@H]1CCN(c2ccccn2)C1)c1ccc2nsnc2c1 ZINC000218082013 464108484 /nfs/dbraw/zinc/10/84/84/464108484.db2.gz RYVNWUNSEHAYOR-LBPRGKRZSA-N 1 0 325.397 2.095 20 70 EEIDRO CC(C)([NH3+])CNC(=O)c1cccc(-n2nccc2C(F)(F)F)c1 ZINC000160118976 527254653 /nfs/dbraw/zinc/25/46/53/527254653.db2.gz LHRXVHDXKUQNCH-UHFFFAOYSA-N 1 0 326.322 2.358 20 70 EEIDRO CCC[N@@H+]1CC[C@H](CNC(=O)NCc2ccnc(OC(C)C)c2)C1 ZINC000159765068 528260198 /nfs/dbraw/zinc/26/01/98/528260198.db2.gz MJSNDZUUCAMUNA-MRXNPFEDSA-N 1 0 334.464 2.400 20 70 EEIDRO CCN(CC)c1ccc(CNC(=O)N2CCC[N@H+](CC)CC2)cn1 ZINC000159603917 528300483 /nfs/dbraw/zinc/30/04/83/528300483.db2.gz JTJLWYMUTZBYEC-UHFFFAOYSA-N 1 0 333.480 2.165 20 70 EEIDRO CCOc1ccc(/C=C/C(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000160146981 528366240 /nfs/dbraw/zinc/36/62/40/528366240.db2.gz OZUZXQHRLLBKFX-YRYLYKBFSA-N 1 0 332.444 2.062 20 70 EEIDRO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@H+](C)C[C@H](O)C1CC1 ZINC000160797784 539523747 /nfs/dbraw/zinc/52/37/47/539523747.db2.gz WFDDLWQMLVOLLG-YGRLFVJLSA-N 1 0 341.249 2.479 20 70 EEIDRO C[C@@H]1C[C@@H](NC(=O)N(C)Cc2cnn(C)c2)C[N@@H+]1Cc1ccccc1 ZINC000160300208 533609549 /nfs/dbraw/zinc/60/95/49/533609549.db2.gz WYFYBQBCTPCXGK-CRAIPNDOSA-N 1 0 341.459 2.225 20 70 EEIDRO Cc1c(C(=O)NC[C@H](C)C[NH+]2CCCCC2)cnn1C1CCOCC1 ZINC000159491405 143799445 /nfs/dbraw/zinc/79/94/45/143799445.db2.gz SHCQUTUPZHIAKW-HNNXBMFYSA-N 1 0 348.491 2.395 20 70 EEIDRO Cc1ccc(F)cc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000159479809 225224701 /nfs/dbraw/zinc/22/47/01/225224701.db2.gz GRNNWKCHQUWHIE-AWEZNQCLSA-N 1 0 335.423 2.167 20 70 EEIDRO C[C@H](SCCN1CCOCC1)C(=O)Nc1cccnc1Cl ZINC000159872122 225293472 /nfs/dbraw/zinc/29/34/72/225293472.db2.gz ZXPVTXRGVTTXJJ-NSHDSACASA-N 1 0 329.853 2.127 20 70 EEIDRO CCn1nccc1C[NH2+]C[C@H](c1ccc(OC)cc1)N1CCOCC1 ZINC000159883026 225295557 /nfs/dbraw/zinc/29/55/57/225295557.db2.gz NVTPEWFTLSRBOM-LJQANCHMSA-N 1 0 344.459 2.075 20 70 EEIDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCC[C@@](C)(O)C1 ZINC000159973983 225313828 /nfs/dbraw/zinc/31/38/28/225313828.db2.gz OBWZFIOCYRESMH-HHXXYDBFSA-N 1 0 331.460 2.063 20 70 EEIDRO CCC([NH3+])(CC)CNC(=O)C[C@@H](NC(C)=O)c1c(F)cccc1F ZINC000160438622 273985748 /nfs/dbraw/zinc/98/57/48/273985748.db2.gz LMASBNLAIPRCFZ-CQSZACIVSA-N 1 0 341.402 2.166 20 70 EEIDRO CO[C@H]1CCN(C(=O)c2ccc(Br)cc2)[C@H](C[NH3+])C1 ZINC000161092822 277339619 /nfs/dbraw/zinc/33/96/19/277339619.db2.gz LTTRWYPFHAZVPQ-STQMWFEESA-N 1 0 327.222 2.027 20 70 EEIDRO COCCCOC1CCN(c2nc(C(C)C)nc(N(C)C)n2)CC1 ZINC000160000413 311348897 /nfs/dbraw/zinc/34/88/97/311348897.db2.gz YHKXTUOPEYIRQS-UHFFFAOYSA-N 1 0 337.468 2.083 20 70 EEIDRO C[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C(=O)NCc1ccccc1 ZINC000160962464 311360413 /nfs/dbraw/zinc/36/04/13/311360413.db2.gz OVRFDYQDLWQEPD-OAHLLOKOSA-N 1 0 339.439 2.183 20 70 EEIDRO CCCN(Cc1c(C)nn(CCC)c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000161075514 311361918 /nfs/dbraw/zinc/36/19/18/311361918.db2.gz UATHREAWFWXSIY-OAHLLOKOSA-N 1 0 327.494 2.309 20 70 EEIDRO O=C(NCCCc1nc2ccccc2[nH]1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000161108401 311362467 /nfs/dbraw/zinc/36/24/67/311362467.db2.gz QWNLUAMCESLQNG-CQSZACIVSA-N 1 0 341.459 2.279 20 70 EEIDRO Cc1cccc2nc(C[NH2+][C@H](C)c3ccc(-n4cnnn4)cc3)cn21 ZINC000160339393 463329839 /nfs/dbraw/zinc/32/98/39/463329839.db2.gz FYBSYKJULXPHAB-CQSZACIVSA-N 1 0 333.399 2.469 20 70 EEIDRO CC[C@@H](CCO)CNC(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160370128 463331343 /nfs/dbraw/zinc/33/13/43/463331343.db2.gz MPXRUJFFGTUFIX-XYJFISCASA-N 1 0 333.476 2.357 20 70 EEIDRO [NH3+]C[C@@H]1CCCN1C(=O)c1[nH]nc(-c2ccccc2)c1Br ZINC000160386582 463333581 /nfs/dbraw/zinc/33/35/81/463333581.db2.gz WCZWYEIXVZXNGO-NSHDSACASA-N 1 0 349.232 2.403 20 70 EEIDRO C[NH+](C)Cc1cccc(C(=O)N2CCOC[C@H]2[C@H]2CCCCC2=O)c1 ZINC000160601795 463353510 /nfs/dbraw/zinc/35/35/10/463353510.db2.gz IFJHCFYPZLOQAU-MSOLQXFVSA-N 1 0 344.455 2.349 20 70 EEIDRO C[C@@H]1CCC[C@H](C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000160757050 463368353 /nfs/dbraw/zinc/36/83/53/463368353.db2.gz UPVKYMWZCGXELY-WBVHZDCISA-N 1 0 330.476 2.276 20 70 EEIDRO CCc1c(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)nnn1-c1cccc(Cl)c1 ZINC000160827160 463374607 /nfs/dbraw/zinc/37/46/07/463374607.db2.gz FGCPWLRCBVSWDS-CHWSQXEVSA-N 1 0 347.850 2.483 20 70 EEIDRO Cc1cccc2nc(C[N@@H+]3CC[C@H](CNc4ccccn4)C3)cc(=O)n12 ZINC000160904397 463380273 /nfs/dbraw/zinc/38/02/73/463380273.db2.gz ULDRDOREMRESJD-MRXNPFEDSA-N 1 0 349.438 2.332 20 70 EEIDRO COc1cc(Br)ccc1C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000161048179 463395458 /nfs/dbraw/zinc/39/54/58/463395458.db2.gz AVDRYOXXGKRCFM-GHMZBOCLSA-N 1 0 327.222 2.457 20 70 EEIDRO O=C(CCSc1ccccc1F)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160052117 534443119 /nfs/dbraw/zinc/44/31/19/534443119.db2.gz QTQPCGYXWNCPQJ-CQSZACIVSA-N 1 0 340.464 2.271 20 70 EEIDRO CCC[C@@H]1CN(C(=O)NCc2nc(C)cs2)CC[N@@H+]1CCOC ZINC000160074677 527779501 /nfs/dbraw/zinc/77/95/01/527779501.db2.gz LRJCXMSFXAFVTB-CQSZACIVSA-N 1 0 340.493 2.094 20 70 EEIDRO CC(C)CN(C)c1ccc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000160039607 527920808 /nfs/dbraw/zinc/92/08/08/527920808.db2.gz JUBKEZVSUFAFJV-LJQANCHMSA-N 1 0 347.503 2.355 20 70 EEIDRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1ccc(C)nc1)CC(C)C ZINC000159942345 528235294 /nfs/dbraw/zinc/23/52/94/528235294.db2.gz DCMMSWJKVRVLHX-MRXNPFEDSA-N 1 0 334.464 2.201 20 70 EEIDRO Cc1noc(C)c1CCNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000159363511 282382170 /nfs/dbraw/zinc/38/21/70/282382170.db2.gz WENNMFQWSVSPPP-INIZCTEOSA-N 1 0 334.464 2.494 20 70 EEIDRO Cc1noc(C)c1[C@H](C)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160231069 539520106 /nfs/dbraw/zinc/52/01/06/539520106.db2.gz MKKKRDOZDKMBEC-VUCTXSBTSA-N 1 0 349.475 2.279 20 70 EEIDRO COc1ccc(C)cc1NC(=O)CN1CCN(c2cc[nH+]cc2)CC1 ZINC000161292526 539525697 /nfs/dbraw/zinc/52/56/97/539525697.db2.gz CENUTNFRBPHXDF-UHFFFAOYSA-N 1 0 340.427 2.159 20 70 EEIDRO COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159507956 533005493 /nfs/dbraw/zinc/00/54/93/533005493.db2.gz FVKJDZAZTPZMRE-JKQORVJESA-N 1 0 334.460 2.354 20 70 EEIDRO COCCCCNC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000159606137 533263780 /nfs/dbraw/zinc/26/37/80/533263780.db2.gz QTSDQTUGVIHKKB-UHFFFAOYSA-N 1 0 334.460 2.047 20 70 EEIDRO O=C(c1cc2ccccc2c(=O)[nH]1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159735346 225267596 /nfs/dbraw/zinc/26/75/96/225267596.db2.gz RFIUQYVNUSEBCU-UHFFFAOYSA-N 1 0 325.412 2.132 20 70 EEIDRO O=C(NCC[NH2+]C1CCCCCC1)c1cn(Cc2ccccc2)nn1 ZINC000159674843 225257844 /nfs/dbraw/zinc/25/78/44/225257844.db2.gz QCATVAFKRDURPP-UHFFFAOYSA-N 1 0 341.459 2.369 20 70 EEIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1csc(Br)c1 ZINC000160095111 225336562 /nfs/dbraw/zinc/33/65/62/225336562.db2.gz FITOGXNAKBZJBM-LLVKDONJSA-N 1 0 347.278 2.087 20 70 EEIDRO CCc1ccc([C@H](CO)NC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1 ZINC000159771010 311346080 /nfs/dbraw/zinc/34/60/80/311346080.db2.gz TXEMFKWXUQYKFG-QGTPRVQTSA-N 1 0 333.476 2.310 20 70 EEIDRO COc1cccc(-c2cc(C(=O)N(C)[C@H]3CCC[N@H+](C)C3)[nH]n2)c1 ZINC000159909171 311347805 /nfs/dbraw/zinc/34/78/05/311347805.db2.gz KRKJEOOFDKKDON-AWEZNQCLSA-N 1 0 328.416 2.252 20 70 EEIDRO CC1CC[NH+](CCNC(=O)N(C)CCC(=O)OC(C)(C)C)CC1 ZINC000160271792 311352142 /nfs/dbraw/zinc/35/21/42/311352142.db2.gz MBRWEKBASIEIOW-UHFFFAOYSA-N 1 0 327.469 2.092 20 70 EEIDRO CCOC(=O)c1cnc(N2CCC[C@@H]2C[NH+]2CCCCC2)nc1C ZINC000160455401 311354367 /nfs/dbraw/zinc/35/43/67/311354367.db2.gz FSOJMDBIZOJLOX-OAHLLOKOSA-N 1 0 332.448 2.416 20 70 EEIDRO CC(C)CN(CC[NH+](C)C)C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000160598256 311356679 /nfs/dbraw/zinc/35/66/79/311356679.db2.gz ZRMOKUIXJPGQPD-UHFFFAOYSA-N 1 0 335.374 2.497 20 70 EEIDRO O=C(CCC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)NC1CCCC1 ZINC000160915584 311360183 /nfs/dbraw/zinc/36/01/83/311360183.db2.gz XXMUIHWMDQLFKE-QAPCUYQASA-N 1 0 347.503 2.301 20 70 EEIDRO O=C(NCC1([NH+]2CCSCC2)CCCC1)[C@@H](O)c1ccccc1 ZINC000159427706 463285963 /nfs/dbraw/zinc/28/59/63/463285963.db2.gz KSHDWHDYYRFFAI-INIZCTEOSA-N 1 0 334.485 2.198 20 70 EEIDRO Cc1ccc2c(c1)[C@@H](NC(=O)[C@H]([NH2+]C1CCOCC1)C(C)C)CO2 ZINC000160128292 463320207 /nfs/dbraw/zinc/32/02/07/463320207.db2.gz UKCVUMFAKBXRFT-FUHWJXTLSA-N 1 0 332.444 2.338 20 70 EEIDRO [NH3+]C[C@H]1CCCN1C(=O)c1[nH]nc(-c2ccccc2)c1Br ZINC000160386434 463332649 /nfs/dbraw/zinc/33/26/49/463332649.db2.gz WCZWYEIXVZXNGO-LLVKDONJSA-N 1 0 349.232 2.403 20 70 EEIDRO COCC[N@H+](C)CCNC(=O)[C@@H](C)c1ccc(Br)cc1 ZINC000160470963 463340921 /nfs/dbraw/zinc/34/09/21/463340921.db2.gz LJHROGLMZMTBRU-LBPRGKRZSA-N 1 0 343.265 2.247 20 70 EEIDRO C[C@]1(O)CCCN(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000160481118 463343011 /nfs/dbraw/zinc/34/30/11/463343011.db2.gz PMILRVHQKMERSH-HKUYNNGSSA-N 1 0 331.460 2.207 20 70 EEIDRO Cn1cnc(-c2ccc(NC(=O)NCC[N@H+](C)C3CCCC3)cc2)n1 ZINC000160519499 463345385 /nfs/dbraw/zinc/34/53/85/463345385.db2.gz YGUJWKHUUGDJKW-UHFFFAOYSA-N 1 0 342.447 2.478 20 70 EEIDRO COc1ccc2c(c1)[C@H]([NH2+]CC(=O)NCC(F)(F)F)CCCO2 ZINC000160528545 463346585 /nfs/dbraw/zinc/34/65/85/463346585.db2.gz OOZGWOAKXPJALD-GFCCVEGCSA-N 1 0 332.322 2.177 20 70 EEIDRO CC(C)(C(=O)NCC1CC[NH+](CCO)CC1)c1cccc(Cl)c1 ZINC000160538962 463347771 /nfs/dbraw/zinc/34/77/71/463347771.db2.gz NFNIPYJJGHNZTR-UHFFFAOYSA-N 1 0 338.879 2.438 20 70 EEIDRO O=C(NCC1CC[NH+](CCO)CC1)c1cc2ccc(Cl)cc2[nH]1 ZINC000160708681 463364689 /nfs/dbraw/zinc/36/46/89/463364689.db2.gz WPRKARLOWGXJSS-UHFFFAOYSA-N 1 0 335.835 2.255 20 70 EEIDRO Cc1ccc2nc(CSCC(=O)N[C@H]3CCC[C@@H]([NH3+])C3)cn2c1 ZINC000160777204 463370482 /nfs/dbraw/zinc/37/04/82/463370482.db2.gz PGUSZGWTAQQSNN-KGLIPLIRSA-N 1 0 332.473 2.262 20 70 EEIDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)C2(NC(N)=O)CC2)cc1 ZINC000160790550 463371688 /nfs/dbraw/zinc/37/16/88/463371688.db2.gz UUZJGAXGSNZJQF-ZDUSSCGKSA-N 1 0 330.432 2.200 20 70 EEIDRO CC(C)[C@H](CNC(=O)NCc1cccc(N(C)C)n1)[NH+]1CCCC1 ZINC000160816360 463373929 /nfs/dbraw/zinc/37/39/29/463373929.db2.gz PVBJGBBRXNUFNG-INIZCTEOSA-N 1 0 333.480 2.067 20 70 EEIDRO C[N@H+](CCO)C1CCN(C(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000161149589 463404667 /nfs/dbraw/zinc/40/46/67/463404667.db2.gz HKGVKDIKJSKQSE-SFHVURJKSA-N 1 0 331.460 2.162 20 70 EEIDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCC(CO)CC2)CC1 ZINC000161196295 463409568 /nfs/dbraw/zinc/40/95/68/463409568.db2.gz QATKJRSMHKOMAR-HNNXBMFYSA-N 1 0 346.475 2.021 20 70 EEIDRO CC[C@@](C)(CCO)NC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000161205945 463410449 /nfs/dbraw/zinc/41/04/49/463410449.db2.gz VLKPJAFMGRSZBC-KXBFYZLASA-N 1 0 348.491 2.457 20 70 EEIDRO COc1ccccc1-c1nn(C)cc1C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000161246434 463413112 /nfs/dbraw/zinc/41/31/12/463413112.db2.gz NAAIFRDYISGQKL-OLZOCXBDSA-N 1 0 328.416 2.095 20 70 EEIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)C1 ZINC000161273710 463414868 /nfs/dbraw/zinc/41/48/68/463414868.db2.gz MPYFHDYVAYQUPL-KGLIPLIRSA-N 1 0 342.443 2.444 20 70 EEIDRO CCC[NH+]1CCN(C(=O)Nc2cccc(-c3ncn(C)n3)c2)CC1 ZINC000161447312 463431082 /nfs/dbraw/zinc/43/10/82/463431082.db2.gz AFEBENALPJDWNO-UHFFFAOYSA-N 1 0 328.420 2.042 20 70 EEIDRO CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(-c3ncn(C)n3)cc2)C1 ZINC000161260855 517585229 /nfs/dbraw/zinc/58/52/29/517585229.db2.gz NDSWFRFSHGTVDE-AWEZNQCLSA-N 1 0 342.447 2.336 20 70 EEIDRO CC(C)([NH3+])CNC(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1 ZINC000160121066 527254666 /nfs/dbraw/zinc/25/46/66/527254666.db2.gz PHFCWEFEFZHYPZ-UHFFFAOYSA-N 1 0 326.322 2.358 20 70 EEIDRO CCC[C@@H]1CN(C(=O)NCc2cccc(OCC[NH+](C)C)c2)CCO1 ZINC000160150038 527778615 /nfs/dbraw/zinc/77/86/15/527778615.db2.gz DBQCRBRVRBRUJV-GOSISDBHSA-N 1 0 349.475 2.338 20 70 EEIDRO CC[C@H](C)N(C)CC[NH2+][C@@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000160101056 529689544 /nfs/dbraw/zinc/68/95/44/529689544.db2.gz QSFOJKHMKLEEIL-KBPBESRZSA-N 1 0 327.494 2.439 20 70 EEIDRO CN(CC(=O)NCC[NH2+]C1CCCCCC1)C(=O)c1cccs1 ZINC000159663881 529833966 /nfs/dbraw/zinc/83/39/66/529833966.db2.gz TUGAKTSNBJOHJB-UHFFFAOYSA-N 1 0 337.489 2.249 20 70 EEIDRO CN(C)c1ccc(C[NH2+][C@H](CN2CCOCC2)c2ccccc2)cn1 ZINC000159645374 539517577 /nfs/dbraw/zinc/51/75/77/539517577.db2.gz SCUVEIAPPZJJEN-LJQANCHMSA-N 1 0 340.471 2.311 20 70 EEIDRO CCn1c(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc2ccccc21 ZINC000159990664 237225751 /nfs/dbraw/zinc/22/57/51/237225751.db2.gz RRMQLUXBNDILFJ-MRXNPFEDSA-N 1 0 329.444 2.238 20 70 EEIDRO CN(CC(C)(C)CN1CCOCC1)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000159854800 225291295 /nfs/dbraw/zinc/29/12/95/225291295.db2.gz SNHFYRMQKSWOAM-UHFFFAOYSA-N 1 0 347.503 2.179 20 70 EEIDRO Cc1ccc(NC(=O)NC(=O)C[N@H+](C)C[C@H]2CCC[C@@H]2O)c(C)c1 ZINC000159583133 225244029 /nfs/dbraw/zinc/24/40/29/225244029.db2.gz AAYWLMXSMBZHFD-ZBFHGGJFSA-N 1 0 333.432 2.044 20 70 EEIDRO C[C@H]1C[C@H](NC(=O)N(C)Cc2cnn(C)c2)C[N@@H+]1Cc1ccccc1 ZINC000160300066 225383313 /nfs/dbraw/zinc/38/33/13/225383313.db2.gz WYFYBQBCTPCXGK-YJBOKZPZSA-N 1 0 341.459 2.225 20 70 EEIDRO O=S(=O)(Cc1ccc(F)cc1)N1CCC([NH2+]CC2CC2)CC1 ZINC000160151864 225350022 /nfs/dbraw/zinc/35/00/22/225350022.db2.gz MLXNQQYCXKJVPP-UHFFFAOYSA-N 1 0 326.437 2.120 20 70 EEIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cccnc1Cl ZINC000160723001 225461778 /nfs/dbraw/zinc/46/17/78/225461778.db2.gz CAVFAZRQOHADSA-HUUCEWRRSA-N 1 0 337.851 2.233 20 70 EEIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CNC(=O)CC1CCCCC1 ZINC000160582709 311356168 /nfs/dbraw/zinc/35/61/68/311356168.db2.gz RQOVAYFHTFUBJD-QGZVFWFLSA-N 1 0 337.508 2.310 20 70 EEIDRO CCCOc1ccc(CNC(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)cn1 ZINC000159404798 463284520 /nfs/dbraw/zinc/28/45/20/463284520.db2.gz HYVFGKPXCLJALB-MRXNPFEDSA-N 1 0 334.464 2.352 20 70 EEIDRO CCn1nnnc1-c1cccc(NC(=O)[C@H]2[NH2+]CCc3ccccc32)c1 ZINC000159588023 463293971 /nfs/dbraw/zinc/29/39/71/463293971.db2.gz AGVCSIDFGOSZRL-KRWDZBQOSA-N 1 0 348.410 2.186 20 70 EEIDRO CC(C)(C(N)=O)c1ccc(NC(=O)N2CC[NH+](CC3CC3)CC2)cc1 ZINC000160000488 463314589 /nfs/dbraw/zinc/31/45/89/463314589.db2.gz VDICCVVCEYWCHB-UHFFFAOYSA-N 1 0 344.459 2.009 20 70 EEIDRO CC(C)OC(=O)CCCNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000160121213 463319579 /nfs/dbraw/zinc/31/95/79/463319579.db2.gz AYFWIAXCGXHKDU-MRXNPFEDSA-N 1 0 339.480 2.378 20 70 EEIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc3c(c1)C(C)(C)C(=O)N3)CC2 ZINC000160358717 463331178 /nfs/dbraw/zinc/33/11/78/463331178.db2.gz YCTSMGYQDDHNFQ-SMDDNHRTSA-N 1 0 339.443 2.482 20 70 EEIDRO CC[N@H+](CCNC(=O)Nc1ccc(-c2ncn(C)n2)cc1)C1CC1 ZINC000160501978 463344146 /nfs/dbraw/zinc/34/41/46/463344146.db2.gz UIYAGBJKGUZSMI-UHFFFAOYSA-N 1 0 328.420 2.088 20 70 EEIDRO CC[C@](C)(O)C[NH+]1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000160536724 463348113 /nfs/dbraw/zinc/34/81/13/463348113.db2.gz WNGRSSARWUEOBG-INIZCTEOSA-N 1 0 336.461 2.077 20 70 EEIDRO Cc1[nH]c2c(cccc2C(=O)NCC2CC[NH+](CCO)CC2)c1C ZINC000160621231 463356445 /nfs/dbraw/zinc/35/64/45/463356445.db2.gz WZZIAMOWIXDMIV-UHFFFAOYSA-N 1 0 329.444 2.219 20 70 EEIDRO Cc1cc2cc(C(=O)NCC3CC[NH+](CCO)CC3)oc2cc1C ZINC000160628985 463356524 /nfs/dbraw/zinc/35/65/24/463356524.db2.gz GIAODQITKDYOFI-UHFFFAOYSA-N 1 0 330.428 2.484 20 70 EEIDRO COC(=O)c1ccc2[nH]cc(C(=O)CN3CCC[C@@H]([NH+](C)C)C3)c2c1 ZINC000160856219 463376879 /nfs/dbraw/zinc/37/68/79/463376879.db2.gz PHTVJILPPXBVGA-CQSZACIVSA-N 1 0 343.427 2.163 20 70 EEIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1cnn(-c2ccc(F)cc2F)c1C ZINC000161219028 463411886 /nfs/dbraw/zinc/41/18/86/463411886.db2.gz XJYMWKGXUHSQOX-CYBMUJFWSA-N 1 0 334.370 2.283 20 70 EEIDRO CC[C@H](C(=O)Nc1cccc(S(=O)(=O)N[C@@H](C)CC)c1)[NH+](C)C ZINC000161382839 463426144 /nfs/dbraw/zinc/42/61/44/463426144.db2.gz CMTPKBFAZHWVHU-SWLSCSKDSA-N 1 0 341.477 2.042 20 70 EEIDRO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(C)(C)C ZINC000159757078 533923334 /nfs/dbraw/zinc/92/33/34/533923334.db2.gz LVNOTQCVDFBOQJ-AWEZNQCLSA-N 1 0 340.489 2.232 20 70 EEIDRO Cc1nn(-c2ccccc2)c(Cl)c1/C=C/C(=O)N1CC[NH2+]CC1 ZINC000159381437 534804810 /nfs/dbraw/zinc/80/48/10/534804810.db2.gz PWFHCMIKEBYQFH-BQYQJAHWSA-N 1 0 330.819 2.279 20 70 EEIDRO CCOC(=O)c1oc2ccccc2c1C[N@H+](C)CC(C)(CO)CO ZINC000159547622 528392222 /nfs/dbraw/zinc/39/22/22/528392222.db2.gz VQWWZYVUKVBGID-UHFFFAOYSA-N 1 0 335.400 2.032 20 70 EEIDRO CCC[C@H]1CN(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)CCO1 ZINC000159888994 528393764 /nfs/dbraw/zinc/39/37/64/528393764.db2.gz YJOPQHMSEBGGFX-SFHVURJKSA-N 1 0 346.475 2.257 20 70 EEIDRO CCC(CC)[C@@H](CNC(=O)C(=O)Nc1ccc(C)nc1)[NH+]1CCCC1 ZINC000159937038 528819755 /nfs/dbraw/zinc/81/97/55/528819755.db2.gz RRNVGSVJZCKCBB-QGZVFWFLSA-N 1 0 346.475 2.345 20 70 EEIDRO CCOc1cn(-c2ccccc2)nc1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159962615 237228252 /nfs/dbraw/zinc/22/82/52/237228252.db2.gz QDOCGUASTBDTRX-GASCZTMLSA-N 1 0 340.427 2.238 20 70 EEIDRO CCC[C@@H](C(=O)N1CCC[C@@H](c2nnc3n2CCCCC3)C1)[NH+](C)C ZINC000159459644 283465539 /nfs/dbraw/zinc/46/55/39/283465539.db2.gz JTZVVXDEVCUBPP-CVEARBPZSA-N 1 0 347.507 2.441 20 70 EEIDRO O=C(CCC1CCCC1)NCC(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159760487 143802297 /nfs/dbraw/zinc/80/22/97/143802297.db2.gz OBTIEVIKVUVJDJ-UHFFFAOYSA-N 1 0 335.492 2.064 20 70 EEIDRO O=C(NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)[C@H]1CCCCO1 ZINC000159949586 225308292 /nfs/dbraw/zinc/30/82/92/225308292.db2.gz CEDHHMLOZIBVTO-RTBURBONSA-N 1 0 346.471 2.117 20 70 EEIDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NC[C@H](O)C(C)(C)C ZINC000160007096 225318661 /nfs/dbraw/zinc/31/86/61/225318661.db2.gz WUQHJFZMGYVMFA-PVAVHDDUSA-N 1 0 333.476 2.213 20 70 EEIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(N3CCOC3=O)cc1)CC2 ZINC000160346379 225392629 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EEIDRO C[C@]1(O)CCCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000159776641 463303650 /nfs/dbraw/zinc/30/36/50/463303650.db2.gz IZXNMWHGSGFHOF-YJBOKZPZSA-N 1 0 335.448 2.363 20 70 EEIDRO C[C@@H]1[C@H](C)OCCN1C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000159829151 463306218 /nfs/dbraw/zinc/30/62/18/463306218.db2.gz XKGNBVVRDVIGIX-CVEARBPZSA-N 1 0 331.460 2.254 20 70 EEIDRO Cc1c[nH]c(=O)n1-c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NCC(C)C)cc1 ZINC000159860684 463308308 /nfs/dbraw/zinc/30/83/08/463308308.db2.gz QQEBHTCUZLYUFT-HUUCEWRRSA-N 1 0 344.459 2.285 20 70 EEIDRO CCN(C(=O)NCCn1cccn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000160231357 463323184 /nfs/dbraw/zinc/32/31/84/463323184.db2.gz YESYJMBBGFZQDM-SFHVURJKSA-N 1 0 341.459 2.189 20 70 EEIDRO CCN(C(=O)NCCn1cccn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000160231225 463323565 /nfs/dbraw/zinc/32/35/65/463323565.db2.gz YESYJMBBGFZQDM-GOSISDBHSA-N 1 0 341.459 2.189 20 70 EEIDRO COC(C)(C)C[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000160263029 463325433 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20 70 EEIDRO CC(C)[NH2+]C1CCN(C(=O)Nc2ccn(CC(F)(F)F)n2)CC1 ZINC000160629117 463356303 /nfs/dbraw/zinc/35/63/03/463356303.db2.gz GVMXKTWQJIYDPE-UHFFFAOYSA-N 1 0 333.358 2.440 20 70 EEIDRO O=C(NCC1CC[NH+](CCO)CC1)c1cc(Cl)ccc1Cl ZINC000160663024 463360423 /nfs/dbraw/zinc/36/04/23/463360423.db2.gz XCQQOBZNJYJNEU-UHFFFAOYSA-N 1 0 331.243 2.428 20 70 EEIDRO C[NH+]1CCC(NC(=O)Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000160692573 463362233 /nfs/dbraw/zinc/36/22/33/463362233.db2.gz VUTJTAWKQRJRLT-UHFFFAOYSA-N 1 0 330.350 2.381 20 70 EEIDRO O=C([C@H]1CC(=O)N(c2ccccc2Cl)C1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160720623 463364594 /nfs/dbraw/zinc/36/45/94/463364594.db2.gz PEPKNYNTBJXLCD-MELADBBJSA-N 1 0 347.846 2.046 20 70 EEIDRO Cn1nccc1C1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000160908499 463382070 /nfs/dbraw/zinc/38/20/70/463382070.db2.gz RDCKJVAAUBNPMI-MRXNPFEDSA-N 1 0 345.491 2.326 20 70 EEIDRO Cc1cc(C)cc([C@H](C)[NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)c1 ZINC000160950248 463384699 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CN(C)C(=O)Nc1cccc(C(=O)N2CC[NH+](C3CCCC3)CC2)c1 ZINC000159515579 225231152 /nfs/dbraw/zinc/23/11/52/225231152.db2.gz WJCKMXPFNUHCMG-UHFFFAOYSA-N 1 0 344.459 2.481 20 70 EEIDRO C[NH+](C)CCCOC1CCN(C(=O)c2cccc3nc[nH]c32)CC1 ZINC000159806065 225281426 /nfs/dbraw/zinc/28/14/26/225281426.db2.gz ZYFXLOJMIHQICP-UHFFFAOYSA-N 1 0 330.432 2.136 20 70 EEIDRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@@H]1CCOC2(CCCC2)C1 ZINC000159643984 276022518 /nfs/dbraw/zinc/02/25/18/276022518.db2.gz NUDJVGMCWNPVOL-SJORKVTESA-N 1 0 338.492 2.388 20 70 EEIDRO Cc1c(C(=O)Nc2cc(CC(C)(C)C)[nH]n2)nnn1C1CC[NH2+]CC1 ZINC000159435865 278592838 /nfs/dbraw/zinc/59/28/38/278592838.db2.gz MKGCMAPSVPYCIZ-UHFFFAOYSA-N 1 0 345.451 2.075 20 70 EEIDRO C[C@H](CNC(=O)C[C@@H]1CCC[NH2+]1)Oc1ccccc1Br ZINC000161144457 298690056 /nfs/dbraw/zinc/69/00/56/298690056.db2.gz ORGJDTDVVCJAGS-NEPJUHHUSA-N 1 0 341.249 2.475 20 70 EEIDRO CC[C@@H]1COCCN1C(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000159889016 311347413 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CCn1cc(CC(=O)NC[C@@H](O)C[NH+]2CCCCC2)c2ccccc21 ZINC000160394462 463334506 /nfs/dbraw/zinc/33/45/06/463334506.db2.gz VFHMZACCOBBNHR-QGZVFWFLSA-N 1 0 343.471 2.167 20 70 EEIDRO COc1ccc(CN(C)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1O ZINC000160617511 463354753 /nfs/dbraw/zinc/35/47/53/463354753.db2.gz XPAWUJHFXVCFDV-HNNXBMFYSA-N 1 0 333.432 2.027 20 70 EEIDRO CCCCS(=O)(=O)Nc1ccc(NC(=O)C[C@H]2CCC[NH2+]2)cc1 ZINC000160663356 463360182 /nfs/dbraw/zinc/36/01/82/463360182.db2.gz UEBDQYFMBSSWPH-OAHLLOKOSA-N 1 0 339.461 2.309 20 70 EEIDRO CC(C)(C)[NH+]1CCC(NC(=O)N2CCCN(CC(F)F)CC2)CC1 ZINC000160701730 463363486 /nfs/dbraw/zinc/36/34/86/463363486.db2.gz ZVPUSACMFMHWBI-UHFFFAOYSA-N 1 0 346.466 2.232 20 70 EEIDRO COCc1ccc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000160724826 463366060 /nfs/dbraw/zinc/36/60/60/463366060.db2.gz KZZZTDQZZPSCNT-OALUTQOASA-N 1 0 346.471 2.331 20 70 EEIDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000160814769 463373854 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CC[C@@H]1COCCN1C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000161211163 463409891 /nfs/dbraw/zinc/40/98/91/463409891.db2.gz IRIGROBHNFXNFN-MAUKXSAKSA-N 1 0 346.475 2.427 20 70 EEIDRO CCc1ccc([C@@H](C)NC(=O)N2CCC([N@H+](C)CCO)CC2)cc1 ZINC000161249039 463414151 /nfs/dbraw/zinc/41/41/51/463414151.db2.gz DTSWVYXYHSOCGG-OAHLLOKOSA-N 1 0 333.476 2.408 20 70 EEIDRO Cc1onc(-c2ccncc2)c1C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000161335533 463422041 /nfs/dbraw/zinc/42/20/41/463422041.db2.gz VGIHWCNATRIPEP-HNNXBMFYSA-N 1 0 326.400 2.355 20 70 EEIDRO CCC(=O)N[C@H](C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C)c1ccccc1 ZINC000161349956 463424763 /nfs/dbraw/zinc/42/47/63/463424763.db2.gz WPMRVJZKNAASRH-ZVZYQTTQSA-N 1 0 331.460 2.099 20 70 EEIDRO CC[C@H]1Oc2cc([C@@H](C)NC(=O)c3ccc(C[NH3+])o3)ccc2NC1=O ZINC000161372902 463425361 /nfs/dbraw/zinc/42/53/61/463425361.db2.gz ULALJJJQLKTHTE-QMTHXVAHSA-N 1 0 343.383 2.339 20 70 EEIDRO CN1C(=O)C[C@H](C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)[C@H]1c1cccc(Cl)c1 ZINC000161458922 463431991 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C[C@@H](NC(=O)Nc1ccc(F)cc1OC(F)F)[C@H]1CN(C)CCO1 ZINC000160127952 539520476 /nfs/dbraw/zinc/52/04/76/539520476.db2.gz VBCGBWSHAHBCPT-NOZJJQNGSA-N 1 0 347.337 2.268 20 70 EEIDRO [NH3+][C@H]1CCC[C@H](NC(=O)C2CCC(NC(=O)C3CCCC3)CC2)C1 ZINC000161049097 539525020 /nfs/dbraw/zinc/52/50/20/539525020.db2.gz DKTFLSWUNGPCCF-XGHPGWEVSA-N 1 0 335.492 2.238 20 70 EEIDRO C[C@@H](c1ccccc1)N(C)C(=O)CN1CCN(c2cc[nH+]cc2)CC1 ZINC000161355732 539527036 /nfs/dbraw/zinc/52/70/36/539527036.db2.gz UFNZGCRYLFXWFT-KRWDZBQOSA-N 1 0 338.455 2.423 20 70 EEIDRO COc1ccc(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)nn1 ZINC000160310571 533296276 /nfs/dbraw/zinc/29/62/76/533296276.db2.gz RUJPZDYHJRNQIJ-GJZGRUSLSA-N 1 0 332.448 2.212 20 70 EEIDRO COc1ccc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c2ccccc12 ZINC000159980513 533328313 /nfs/dbraw/zinc/32/83/13/533328313.db2.gz GEEIPYKWBAXUIZ-OAHLLOKOSA-N 1 0 342.439 2.425 20 70 EEIDRO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1cccc2[nH]ccc21 ZINC000159462978 533401312 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2.498 20 70 EEIDRO CC(C)[NH+]1CCN(C(=O)[C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC000159554834 311342936 /nfs/dbraw/zinc/34/29/36/311342936.db2.gz RHFLDBLPHPRAAN-GJZGRUSLSA-N 1 0 339.480 2.232 20 70 EEIDRO CCOC(=O)C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000160503935 311355168 /nfs/dbraw/zinc/35/51/68/311355168.db2.gz IYASJVOFQPJWEA-DOTOQJQBSA-N 1 0 332.444 2.499 20 70 EEIDRO Cn1cc(C2CCN(C(=O)N[C@H]3CC[N@@H+](C4CCCC4)C3)CC2)cn1 ZINC000160870880 311359569 /nfs/dbraw/zinc/35/95/69/311359569.db2.gz BLCSSWLXJAQBIV-KRWDZBQOSA-N 1 0 345.491 2.326 20 70 EEIDRO CC[N@@H+]1CCCN(C(=O)NCCOc2ccc(Cl)cc2)CC1 ZINC000159548137 463291834 /nfs/dbraw/zinc/29/18/34/463291834.db2.gz NGQFHLUGQPULEV-UHFFFAOYSA-N 1 0 325.840 2.456 20 70 EEIDRO C[C@@H](NC(=O)Nc1ccnn1C[C@H]1CCOC1)C(C)(C)C[NH+](C)C ZINC000159907171 463310041 /nfs/dbraw/zinc/31/00/41/463310041.db2.gz YTYSRHWYFHTWBV-ZIAGYGMSSA-N 1 0 337.468 2.017 20 70 EEIDRO CC[C@H](CCO)CNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000159921397 463310103 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Cc1ccc(C(=O)N[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C(C)C)cc1 ZINC000160735677 463365801 /nfs/dbraw/zinc/36/58/01/463365801.db2.gz VIHGRACUDAIUDA-KSZLIROESA-N 1 0 343.471 2.102 20 70 EEIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2nn(-c3ccccc3F)c3c2CCC3)C1 ZINC000160867838 463378201 /nfs/dbraw/zinc/37/82/01/463378201.db2.gz QVZFCSJAZGMYSG-OLZOCXBDSA-N 1 0 342.418 2.500 20 70 EEIDRO CCn1nnnc1-c1cccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)c1 ZINC000161126978 463402465 /nfs/dbraw/zinc/40/24/65/463402465.db2.gz MLJFAVOUSCNDEV-KCXAZCMYSA-N 1 0 340.431 2.219 20 70 EEIDRO CC[NH+](CC)CC(=O)Nc1ccc(OCC(=O)OC)c(Cl)c1 ZINC000161212514 463410105 /nfs/dbraw/zinc/41/01/05/463410105.db2.gz JSZZBKVWDCAJSI-UHFFFAOYSA-N 1 0 328.796 2.172 20 70 EEIDRO CC[C@@H](C(=O)N1CCN(C(=O)Nc2ccc(C)cc2)CC1)[NH+](C)C ZINC000161313395 463419613 /nfs/dbraw/zinc/41/96/13/463419613.db2.gz HJNTVBIUJFKWEM-INIZCTEOSA-N 1 0 332.448 2.011 20 70 EEIDRO C[C@H](CNC(=O)c1ccc(C(=O)NC2CC2)cc1)[NH+]1CCC(C)CC1 ZINC000161382489 463426188 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CC[C@@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccc(OC)c(OC)c1 ZINC000160559280 255798814 /nfs/dbraw/zinc/79/88/14/255798814.db2.gz FDPIPUAOBWKJHX-LLVKDONJSA-N 1 0 334.338 2.423 20 70 EEIDRO Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N1CC[NH2+]CC1 ZINC000159414854 225213843 /nfs/dbraw/zinc/21/38/43/225213843.db2.gz UBSJYDZEUMRHRZ-UHFFFAOYSA-N 1 0 347.415 2.493 20 70 EEIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccnc(Cl)c1 ZINC000160668010 225448237 /nfs/dbraw/zinc/44/82/37/225448237.db2.gz YCYJBTQDPPVANI-GJZGRUSLSA-N 1 0 337.851 2.233 20 70 EEIDRO C[NH2+]C[C@@H]1CCCN1C(=O)COc1ccc(Br)cc1 ZINC000161182252 277276777 /nfs/dbraw/zinc/27/67/77/277276777.db2.gz MKEGBOWRMNNAPE-LBPRGKRZSA-N 1 0 327.222 2.038 20 70 EEIDRO Cc1ccc(SCCNC(=O)C[N@H+](C)C[C@@H]2CCC[C@@H]2O)cc1 ZINC000159505059 311341776 /nfs/dbraw/zinc/34/17/76/311341776.db2.gz DLJWGXPTTCLSMI-RDJZCZTQSA-N 1 0 336.501 2.296 20 70 EEIDRO Cc1cccc(-n2cc(C(=O)N[C@H](C)C[NH+]3CCCCC3)nn2)c1 ZINC000160108595 311349968 /nfs/dbraw/zinc/34/99/68/311349968.db2.gz CREUXIRYFCXDIT-OAHLLOKOSA-N 1 0 327.432 2.180 20 70 EEIDRO CC(=O)NCCC[NH2+][C@@H](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000160442559 311354391 /nfs/dbraw/zinc/35/43/91/311354391.db2.gz VUXUXNFPMAQTKH-ZFWWWQNUSA-N 1 0 327.469 2.280 20 70 EEIDRO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(CN2CCOCC2)cc1 ZINC000160597190 311356207 /nfs/dbraw/zinc/35/62/07/311356207.db2.gz PHRXKEXZVJPSLA-HLIPFELVSA-N 1 0 331.504 2.337 20 70 EEIDRO CC(C)C[C@H](CO)NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000160986875 311360902 /nfs/dbraw/zinc/36/09/02/311360902.db2.gz LBUQZZNJXRDYMH-GOSISDBHSA-N 1 0 347.503 2.112 20 70 EEIDRO CO[C@H]1CCN(C(=O)c2ccccc2Br)[C@H](C[NH3+])C1 ZINC000161120691 463401638 /nfs/dbraw/zinc/40/16/38/463401638.db2.gz WSHMKXHMLSOXSF-QWRGUYRKSA-N 1 0 327.222 2.027 20 70 EEIDRO CC(C)(CNC(=O)N1CCCN(CC(F)F)CC1)[NH+]1CCCCC1 ZINC000159844479 463308206 /nfs/dbraw/zinc/30/82/06/463308206.db2.gz WYCMEFRVPORXJJ-UHFFFAOYSA-N 1 0 346.466 2.233 20 70 EEIDRO CC[C@H](CCO)CNC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000159921670 463310209 /nfs/dbraw/zinc/31/02/09/463310209.db2.gz LAZDFBPQXJGODL-JZXOWHBKSA-N 1 0 333.476 2.215 20 70 EEIDRO COc1ccc([C@H](C)[C@@H](C)[NH2+]C2CCN(CC(=O)N(C)C)CC2)cc1 ZINC000160408603 463336293 /nfs/dbraw/zinc/33/62/93/463336293.db2.gz FXRZAUALTVBNMV-HZPDHXFCSA-N 1 0 347.503 2.329 20 70 EEIDRO CCC(CC)c1cc(C(=O)NCCCN2CC[NH+](CC)CC2)on1 ZINC000160438711 463339034 /nfs/dbraw/zinc/33/90/34/463339034.db2.gz BPAUICORLPMIKV-UHFFFAOYSA-N 1 0 336.480 2.336 20 70 EEIDRO O=S(=O)(Cc1c(F)cccc1F)NCC[NH+]1CCCCCC1 ZINC000160527795 463346856 /nfs/dbraw/zinc/34/68/56/463346856.db2.gz POSRFRFCOWNBIM-UHFFFAOYSA-N 1 0 332.416 2.260 20 70 EEIDRO C[C@@H]1CCc2sc(C(=O)NCC3CC[NH+](CCO)CC3)cc2C1 ZINC000160575286 463351720 /nfs/dbraw/zinc/35/17/20/463351720.db2.gz DVNRAIFGOULMQP-CYBMUJFWSA-N 1 0 336.501 2.307 20 70 EEIDRO Cc1ccc(-c2ocnc2C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000160608961 463355076 /nfs/dbraw/zinc/35/50/76/463355076.db2.gz FYGATACDMUXETP-MRXNPFEDSA-N 1 0 343.427 2.227 20 70 EEIDRO CCS(=O)(=O)N1CCC([NH2+]Cc2ccc(Cl)cc2F)CC1 ZINC000160672536 463361156 /nfs/dbraw/zinc/36/11/56/463361156.db2.gz HKNFNUKBZDGHIN-UHFFFAOYSA-N 1 0 334.844 2.383 20 70 EEIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2nn(-c3ccccc3F)c3c2CCC3)C1 ZINC000160867410 463377952 /nfs/dbraw/zinc/37/79/52/463377952.db2.gz QVZFCSJAZGMYSG-QWHCGFSZSA-N 1 0 342.418 2.500 20 70 EEIDRO CC[NH2+]CC1CCN(C(=O)c2ccc(-n3nc(C)cc3C)nc2)CC1 ZINC000161103959 463400079 /nfs/dbraw/zinc/40/00/79/463400079.db2.gz BDUCQRQSRHFGEW-UHFFFAOYSA-N 1 0 341.459 2.346 20 70 EEIDRO COCCOc1cccc(CC(=O)N2CC[NH+](C3CCCC3)CC2)c1 ZINC000161186033 463408281 /nfs/dbraw/zinc/40/82/81/463408281.db2.gz AASVETSCQWNUAN-UHFFFAOYSA-N 1 0 346.471 2.341 20 70 EEIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(CSc2nccn2C)o1 ZINC000161195955 463409228 /nfs/dbraw/zinc/40/92/28/463409228.db2.gz WBDWJWDRWSQYDT-LBPRGKRZSA-N 1 0 334.445 2.129 20 70 EEIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(CNC(=O)C2CCCC2)cc1 ZINC000161287242 463417164 /nfs/dbraw/zinc/41/71/64/463417164.db2.gz LAZPGYYOLRRFCT-GOSISDBHSA-N 1 0 343.471 2.317 20 70 EEIDRO CCCC[C@H](COC)[NH2+][C@@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000161460120 463432320 /nfs/dbraw/zinc/43/23/20/463432320.db2.gz IGNGPHJFSZNBPL-DZGCQCFKSA-N 1 0 328.478 2.451 20 70 EEIDRO CCCCNC(=O)c1ccc(CNC(=O)[C@]2(C)CCC[NH2+]C2)cc1 ZINC000161458088 463432517 /nfs/dbraw/zinc/43/25/17/463432517.db2.gz LPJUUMSVEATGEV-LJQANCHMSA-N 1 0 331.460 2.222 20 70 EEIDRO COC(=O)Cn1cc(CC[NH2+]C(C)(C)c2ccc(Cl)cc2)nn1 ZINC000159588715 533791253 /nfs/dbraw/zinc/79/12/53/533791253.db2.gz FOLBCVMVCDAGCV-UHFFFAOYSA-N 1 0 336.823 2.172 20 70 EEIDRO C[C@]1([NH2+]Cc2cc(Br)c3c(c2)OCCO3)CCOC1 ZINC000160181137 534179584 /nfs/dbraw/zinc/17/95/84/534179584.db2.gz RVRLXNGQWYKPOW-AWEZNQCLSA-N 1 0 328.206 2.489 20 70 EEIDRO COC(=O)c1ccc(NC(=O)[C@H]2CCC[NH2+]C2)c(OC(F)F)c1 ZINC000159753951 534221109 /nfs/dbraw/zinc/22/11/09/534221109.db2.gz DRQAEKDFRCFTBZ-JTQLQIEISA-N 1 0 328.315 2.013 20 70 EEIDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccc(Cl)c2)C1 ZINC000159396403 528023460 /nfs/dbraw/zinc/02/34/60/528023460.db2.gz OHSDNNMNLSLQSC-CYBMUJFWSA-N 1 0 337.851 2.373 20 70 EEIDRO CCC(=O)N1CC[C@H](C(=O)NCc2cccc(C[N@@H+](C)CC)c2)C1 ZINC000159611000 528364614 /nfs/dbraw/zinc/36/46/14/528364614.db2.gz FUVXTDDDIUPTHR-KRWDZBQOSA-N 1 0 331.460 2.013 20 70 EEIDRO CCC(CC)(C[NH3+])C(=O)Nc1ccc2ccn(CC(=O)NC)c2c1 ZINC000161204828 528651760 /nfs/dbraw/zinc/65/17/60/528651760.db2.gz PUELGWWYCXFKQJ-UHFFFAOYSA-N 1 0 330.432 2.091 20 70 EEIDRO Cc1noc(C)c1[C@@H](C)NCC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000160438707 539522159 /nfs/dbraw/zinc/52/21/59/539522159.db2.gz AKIBBDZNQCHJEN-CXAGYDPISA-N 1 0 344.459 2.361 20 70 EEIDRO COc1ccccc1[C@@H](C)NC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159508100 532965987 /nfs/dbraw/zinc/96/59/87/532965987.db2.gz FVKJDZAZTPZMRE-AESZEHBQSA-N 1 0 334.460 2.354 20 70 EEIDRO Cn1cc(Cl)cc1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160608316 255799335 /nfs/dbraw/zinc/79/93/35/255799335.db2.gz ZCRWIOGKPRLGIL-ZBFHGGJFSA-N 1 0 339.867 2.176 20 70 EEIDRO C[C@H](CC(=O)NC[C@H](O)C[NH+]1CCCCC1)Cc1cccc(F)c1 ZINC000160292035 533657825 /nfs/dbraw/zinc/65/78/25/533657825.db2.gz ILVTZNFGSUCSPK-YJBOKZPZSA-N 1 0 336.451 2.357 20 70 EEIDRO C[C@H](OC[C@H]1CCCCO1)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000159727596 143801723 /nfs/dbraw/zinc/80/17/23/143801723.db2.gz ARZVSBCJBCPFHI-DOTOQJQBSA-N 1 0 326.481 2.389 20 70 EEIDRO CC[N@@H+]1CCCN(C(=O)NCc2cccc(Cn3ccnc3)c2)CC1 ZINC000159611435 276162098 /nfs/dbraw/zinc/16/20/98/276162098.db2.gz MKQJMNCNADUSBN-UHFFFAOYSA-N 1 0 341.459 2.169 20 70 EEIDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)NCCc2cscn2)o1 ZINC000159560645 311342875 /nfs/dbraw/zinc/34/28/75/311342875.db2.gz OTJZNIWIFWATJL-UHFFFAOYSA-N 1 0 336.461 2.360 20 70 EEIDRO CCC(CC)(C[NH2+]CCCN1C(=O)c2ccccc2C1=O)C(=O)OC ZINC000159652272 311343737 /nfs/dbraw/zinc/34/37/37/311343737.db2.gz VDMSXJGRBRTTSB-UHFFFAOYSA-N 1 0 346.427 2.242 20 70 EEIDRO C[C@@]1(O)CCCN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000159631594 311343853 /nfs/dbraw/zinc/34/38/53/311343853.db2.gz WGBBWIGERSYNSY-IEBWSBKVSA-N 1 0 331.460 2.380 20 70 EEIDRO C[NH+](C)[C@@H](CNC(=O)CCC(=O)NC1CCCC1)Cc1ccccc1 ZINC000160365150 311353668 /nfs/dbraw/zinc/35/36/68/311353668.db2.gz CDABFXWFGSFNHI-GOSISDBHSA-N 1 0 345.487 2.115 20 70 EEIDRO CCCN(CC)c1ccc(C(=O)N2CC[NH+](CC3CC3)CC2)cn1 ZINC000160638658 311356698 /nfs/dbraw/zinc/35/66/98/311356698.db2.gz SQLGNYHTVDWESY-UHFFFAOYSA-N 1 0 330.476 2.486 20 70 EEIDRO CCOC(=O)NCCCC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000160690913 311357366 /nfs/dbraw/zinc/35/73/66/311357366.db2.gz FFIILKKORSQDQP-CQSZACIVSA-N 1 0 327.469 2.139 20 70 EEIDRO Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)N1CC[NH2+]CC1 ZINC000159421589 463286458 /nfs/dbraw/zinc/28/64/58/463286458.db2.gz VFMARGQLTNHXQP-UHFFFAOYSA-N 1 0 340.471 2.221 20 70 EEIDRO O=C(CNC(=O)NC1CCCCC1)NCC[NH2+]C1CCCCCC1 ZINC000159703964 463300415 /nfs/dbraw/zinc/30/04/15/463300415.db2.gz MMROYUGZDADPPA-UHFFFAOYSA-N 1 0 338.496 2.047 20 70 EEIDRO Cc1cccc([C@@H]2CCCN2Cc2nn3c(nc(C)cc3=O)s2)n1 ZINC000159801840 463305736 /nfs/dbraw/zinc/30/57/36/463305736.db2.gz IPNXWBYAPKBXLX-AWEZNQCLSA-N 1 0 341.440 2.500 20 70 EEIDRO CC1CC[NH+](CCCNC(=O)N2CCCN(CC(F)F)CC2)CC1 ZINC000159945464 463312142 /nfs/dbraw/zinc/31/21/42/463312142.db2.gz BYLASNDLOAXDEH-UHFFFAOYSA-N 1 0 346.466 2.091 20 70 EEIDRO CC[C@H]1COCCN1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000159971183 463313304 /nfs/dbraw/zinc/31/33/04/463313304.db2.gz ZUAZZVYBIGJGCD-RYQLBKOJSA-N 1 0 331.460 2.327 20 70 EEIDRO C[N@@H+](Cc1cnc2ccccn12)C[C@@H](O)COCc1ccccc1 ZINC000160371320 463332012 /nfs/dbraw/zinc/33/20/12/463332012.db2.gz QFOCVBWGCBKCFK-GOSISDBHSA-N 1 0 325.412 2.344 20 70 EEIDRO COCCOc1ccc([C@@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)cc1 ZINC000160392883 463335128 /nfs/dbraw/zinc/33/51/28/463335128.db2.gz AUCGLTJDPYLWPQ-CJNGLKHVSA-N 1 0 330.432 2.277 20 70 EEIDRO O=C(/C=C/c1c(Cl)nc2sccn12)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160409237 463336228 /nfs/dbraw/zinc/33/62/28/463336228.db2.gz WOALYMZCTOTTQZ-UZPIOYONSA-N 1 0 336.848 2.415 20 70 EEIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@@H]1SCCc2sccc21 ZINC000160506583 463343959 /nfs/dbraw/zinc/34/39/59/463343959.db2.gz DEHUBQVJQCFZIB-IUODEOHRSA-N 1 0 340.514 2.042 20 70 EEIDRO O=C(NCC1CC[NH+](CCO)CC1)c1ccc(Cl)c(Cl)c1 ZINC000160560802 463350556 /nfs/dbraw/zinc/35/05/56/463350556.db2.gz BMGBTIKPJKBEPW-UHFFFAOYSA-N 1 0 331.243 2.428 20 70 EEIDRO C[NH2+][C@@H]1CCN(C(=O)c2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000160751523 463367097 /nfs/dbraw/zinc/36/70/97/463367097.db2.gz JDKJIJCSLJVTJC-CYBMUJFWSA-N 1 0 349.232 2.069 20 70 EEIDRO CC1CC[NH+](Cc2ccc(NC(=O)C3(NC(N)=O)CC3)cc2)CC1 ZINC000160771227 463369760 /nfs/dbraw/zinc/36/97/60/463369760.db2.gz PHDHLLUKMOVBBN-UHFFFAOYSA-N 1 0 330.432 2.058 20 70 EEIDRO Cn1c(=O)cccc1C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000160809880 463372417 /nfs/dbraw/zinc/37/24/17/463372417.db2.gz BSHHAJMGMCUUSL-UHFFFAOYSA-N 1 0 331.460 2.114 20 70 EEIDRO CC[C@H](C(=O)N1CCC(c2nc(-c3ccccn3)no2)CC1)[NH+](C)C ZINC000160835657 463374955 /nfs/dbraw/zinc/37/49/55/463374955.db2.gz NSKJPJWACDVFAS-OAHLLOKOSA-N 1 0 343.431 2.178 20 70 EEIDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)Nc1nocc1C ZINC000160990831 463389379 /nfs/dbraw/zinc/38/93/79/463389379.db2.gz HPZRBSNTICSLCI-UHFFFAOYSA-N 1 0 344.415 2.032 20 70 EEIDRO CSCC[C@@H]([NH3+])C(=O)Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1 ZINC000161041900 463393725 /nfs/dbraw/zinc/39/37/25/463393725.db2.gz XVSZHYGSRRQQKF-PMPSAXMXSA-N 1 0 338.473 2.388 20 70 EEIDRO C[C@H](CNC(=O)c1ccnc(OCC(F)(F)F)c1)C[NH+]1CCCC1 ZINC000161077835 463397192 /nfs/dbraw/zinc/39/71/92/463397192.db2.gz UDEPZLKFVPRLNL-GFCCVEGCSA-N 1 0 345.365 2.484 20 70 EEIDRO CC(=O)NC1CCC(Nc2ccc(NC(=O)CC[NH+](C)C)cc2)CC1 ZINC000161157574 463405214 /nfs/dbraw/zinc/40/52/14/463405214.db2.gz KUUQZSQGPNAEOX-UHFFFAOYSA-N 1 0 346.475 2.436 20 70 EEIDRO C[NH2+]C[C@H]1CCCN1C(=O)/C=C/c1cc(Cl)c2c(c1)OCCO2 ZINC000161163376 463405474 /nfs/dbraw/zinc/40/54/74/463405474.db2.gz SYSXCYUDSMKEHJ-MUBLQREKSA-N 1 0 336.819 2.335 20 70 EEIDRO CCN(c1ccccc1)c1ccc(CNC(=O)[C@@H]2C[NH2+]CCO2)cc1 ZINC000161211153 463409954 /nfs/dbraw/zinc/40/99/54/463409954.db2.gz UHJYTZMMPUHLKX-IBGZPJMESA-N 1 0 339.439 2.449 20 70 EEIDRO Cc1ccc(NC(=O)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)cn1 ZINC000161262981 463414536 /nfs/dbraw/zinc/41/45/36/463414536.db2.gz PJTMLRHDYYMHQW-KBPBESRZSA-N 1 0 346.475 2.201 20 70 EEIDRO C[C@H]1C[NH+](CCCNC(=O)c2ccnc(Cl)c2F)C[C@H](C)O1 ZINC000159535401 533940400 /nfs/dbraw/zinc/94/04/00/533940400.db2.gz ITTPOMMANQQFPL-QWRGUYRKSA-N 1 0 329.803 2.103 20 70 EEIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cc(Cl)cc2cccnc21 ZINC000160162484 534537332 /nfs/dbraw/zinc/53/73/32/534537332.db2.gz PYILVQQCWDIRQU-OAHLLOKOSA-N 1 0 347.846 2.465 20 70 EEIDRO CCN(CC)C(=O)c1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000159964059 528065706 /nfs/dbraw/zinc/06/57/06/528065706.db2.gz ZUDFTYYFVQTQGR-CALCHBBNSA-N 1 0 329.444 2.135 20 70 EEIDRO CC(C)Oc1cc(CNC(=O)NC[C@H](C)C[NH+]2CCCC2)ccn1 ZINC000159661297 528109459 /nfs/dbraw/zinc/10/94/59/528109459.db2.gz QOYCXFWAXAONFK-HNNXBMFYSA-N 1 0 334.464 2.400 20 70 EEIDRO CC(C)Oc1cc(CNC(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)ccn1 ZINC000160000418 528110203 /nfs/dbraw/zinc/11/02/03/528110203.db2.gz MPJZHHKYFJYHST-HIFRSBDPSA-N 1 0 332.448 2.293 20 70 EEIDRO CCCCN(CCO)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000160019082 528424882 /nfs/dbraw/zinc/42/48/82/528424882.db2.gz ASNFIIXRWGBJKG-FUHWJXTLSA-N 1 0 333.476 2.311 20 70 EEIDRO Cc1noc(C)c1[C@H](C)NCC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000160438851 539522124 /nfs/dbraw/zinc/52/21/24/539522124.db2.gz AKIBBDZNQCHJEN-SUMWQHHRSA-N 1 0 344.459 2.361 20 70 EEIDRO C[C@@H]([NH2+]CCc1ccc2c(c1)OCO2)c1cccc(-n2cnnn2)c1 ZINC000161108115 539525164 /nfs/dbraw/zinc/52/51/64/539525164.db2.gz MFKYXXKLKNVYSP-CYBMUJFWSA-N 1 0 337.383 2.284 20 70 EEIDRO COC1(C(=O)NC[C@H]2CCCO[C@H]2c2ccc(C)cc2)CC[NH2+]CC1 ZINC000159536080 532971936 /nfs/dbraw/zinc/97/19/36/532971936.db2.gz ZLTKSEGMSQQACM-MSOLQXFVSA-N 1 0 346.471 2.348 20 70 EEIDRO COc1cccc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1 ZINC000160311168 533405666 /nfs/dbraw/zinc/40/56/66/533405666.db2.gz RLZKFXNNUCBMRV-ZWKOTPCHSA-N 1 0 332.444 2.193 20 70 EEIDRO C[C@@H]([NH2+][C@@H](C)C1CC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000160112847 533495383 /nfs/dbraw/zinc/49/53/83/533495383.db2.gz XILZOVIFFHBOAM-UONOGXRCSA-N 1 0 338.473 2.157 20 70 EEIDRO COc1ccc(-c2cc(C(=O)N(C)[C@@H]3CCC[N@H+](C)C3)[nH]n2)cc1 ZINC000159920026 225300976 /nfs/dbraw/zinc/30/09/76/225300976.db2.gz BCHJEVRRVCINNV-CQSZACIVSA-N 1 0 328.416 2.252 20 70 EEIDRO COc1ccc([C@@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)cc1OC ZINC000160261460 225373215 /nfs/dbraw/zinc/37/32/15/225373215.db2.gz QXOZDJAPAKNOKF-OAHLLOKOSA-N 1 0 335.492 2.380 20 70 EEIDRO C[C@@H](CC(=O)Nc1ccc(F)c(C(=O)N(C)C)c1)[C@@H]1CCC[NH2+]C1 ZINC000160358156 225395814 /nfs/dbraw/zinc/39/58/14/225395814.db2.gz FRDKRWNYFFMRMA-QWHCGFSZSA-N 1 0 335.423 2.492 20 70 EEIDRO COCC(C)(C)NC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000161209677 225575071 /nfs/dbraw/zinc/57/50/71/225575071.db2.gz GPVHFZKKVIAZGV-AWEZNQCLSA-N 1 0 334.464 2.331 20 70 EEIDRO C[NH+](C)CC1CCC(NC(=O)c2cccc(-n3ccnn3)c2)CC1 ZINC000161250666 225585034 /nfs/dbraw/zinc/58/50/34/225585034.db2.gz IZHAZERIWJKVNG-UHFFFAOYSA-N 1 0 327.432 2.118 20 70 EEIDRO O=S(=O)(N1CCCCCC1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160167792 280337461 /nfs/dbraw/zinc/33/74/61/280337461.db2.gz QHBHBUUUHBYIFZ-INIZCTEOSA-N 1 0 329.510 2.058 20 70 EEIDRO [NH3+]C[C@@H]1CCCN1C(=O)c1ccc(CNC(=O)C2CCCC2)cc1 ZINC000160292430 295253115 /nfs/dbraw/zinc/25/31/15/295253115.db2.gz PYZYDMHTWFJSMS-KRWDZBQOSA-N 1 0 329.444 2.056 20 70 EEIDRO CC(C)Oc1cccc(CNC(=O)C[N@H+](C)C[C@@H]2CCC[C@@H]2O)c1 ZINC000159503586 311342101 /nfs/dbraw/zinc/34/21/01/311342101.db2.gz FEXWSLBAKGIYGH-WMZOPIPTSA-N 1 0 334.460 2.183 20 70 EEIDRO CC[C@@H](C(N)=O)[N@H+](CC)CCOc1ccc(Br)cc1 ZINC000159592853 311343361 /nfs/dbraw/zinc/34/33/61/311343361.db2.gz WBUUPWCUHMOCKX-ZDUSSCGKSA-N 1 0 329.238 2.414 20 70 EEIDRO C[C@H](Cc1ccc(Cl)cc1)C(=O)NCCCN1CC[NH+](C)CC1 ZINC000160192818 311351031 /nfs/dbraw/zinc/35/10/31/311351031.db2.gz FHQLVAFXJLVDRD-OAHLLOKOSA-N 1 0 337.895 2.272 20 70 EEIDRO CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@](C)(O)C1)Cc1ccccc1 ZINC000160287308 311352777 /nfs/dbraw/zinc/35/27/77/311352777.db2.gz AGEGIRRZYFORHC-QUCCMNQESA-N 1 0 347.503 2.496 20 70 EEIDRO CN(CC1CCOCC1)C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000160341639 311353294 /nfs/dbraw/zinc/35/32/94/311353294.db2.gz YZNDHKOWWIECLV-UHFFFAOYSA-N 1 0 337.439 2.455 20 70 EEIDRO Cc1c(C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)cnn1CC(C)C ZINC000160408945 311353950 /nfs/dbraw/zinc/35/39/50/311353950.db2.gz DIHOCLKLKXFUHZ-MRXNPFEDSA-N 1 0 336.480 2.030 20 70 EEIDRO COC(=O)CC[N@@H+](Cc1c(C)nc2ccccn21)C[C@@H]1CCCO1 ZINC000160448441 311354415 /nfs/dbraw/zinc/35/44/15/311354415.db2.gz PKNWGGADTDDXPH-HNNXBMFYSA-N 1 0 331.416 2.187 20 70 EEIDRO C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000160538737 311355602 /nfs/dbraw/zinc/35/56/02/311355602.db2.gz FLKIYVMZKGNBKP-SECBINFHSA-N 1 0 343.349 2.245 20 70 EEIDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)C[C@@H]1CCC[C@@H]1O ZINC000161015399 311361168 /nfs/dbraw/zinc/36/11/68/311361168.db2.gz KJOCAUGXSHZGLZ-BBWFWOEESA-N 1 0 325.497 2.443 20 70 EEIDRO COc1cccc([C@H](CNC(=O)c2cc(C)ncn2)[NH+]2CCCC2)c1 ZINC000161255149 311363810 /nfs/dbraw/zinc/36/38/10/311363810.db2.gz FDOUEJNCYHONLR-SFHVURJKSA-N 1 0 340.427 2.361 20 70 EEIDRO C[C@H](CNC(=O)Nc1ccnn1C[C@@H]1CCOC1)C[NH+]1CCCCC1 ZINC000159390749 463284196 /nfs/dbraw/zinc/28/41/96/463284196.db2.gz BNGNOHUQFVDZEH-CVEARBPZSA-N 1 0 349.479 2.163 20 70 EEIDRO CC(C)OC(=O)CCCNC(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000159511805 463290206 /nfs/dbraw/zinc/29/02/06/463290206.db2.gz ALNHGGQFHVHJLA-HNNXBMFYSA-N 1 0 327.469 2.282 20 70 EEIDRO C[C@H](NC(=O)N(C)[C@H]1CCCc2c1cnn2C)C(C)(C)C[NH+](C)C ZINC000159533572 463291220 /nfs/dbraw/zinc/29/12/20/463291220.db2.gz HXUPHRBLDXSTLW-ZFWWWQNUSA-N 1 0 335.496 2.415 20 70 EEIDRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)[C@H]1CCn2ccnc2C1 ZINC000159650452 463297812 /nfs/dbraw/zinc/29/78/12/463297812.db2.gz OIWIAUDDIPEUCO-SFHVURJKSA-N 1 0 338.455 2.358 20 70 EEIDRO COCCC[N@H+](C)CCNC(=O)CSc1nccc2ccccc21 ZINC000160006846 463314831 /nfs/dbraw/zinc/31/48/31/463314831.db2.gz PHQUHKAXTAXVLW-UHFFFAOYSA-N 1 0 347.484 2.411 20 70 EEIDRO O=C(CCOc1ccccc1Cl)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160423848 463337257 /nfs/dbraw/zinc/33/72/57/463337257.db2.gz OZSQXHMOYVRDGW-CQSZACIVSA-N 1 0 340.851 2.072 20 70 EEIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccnc(-n2cccn2)c1 ZINC000160467488 463341791 /nfs/dbraw/zinc/34/17/91/463341791.db2.gz YFWNNKLLGCKYFT-MRXNPFEDSA-N 1 0 327.432 2.118 20 70 EEIDRO CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccn(CC(F)(F)F)n2)C1 ZINC000160485829 463342288 /nfs/dbraw/zinc/34/22/88/463342288.db2.gz KCOYGHVTAZBVCS-NSHDSACASA-N 1 0 333.358 2.299 20 70 EEIDRO Cn1c2cccc(C(=O)NC3CC[NH+](C(C)(C)C)CC3)c2oc1=O ZINC000160507091 463344349 /nfs/dbraw/zinc/34/43/49/463344349.db2.gz DZDLCIPFJNSANE-UHFFFAOYSA-N 1 0 331.416 2.124 20 70 EEIDRO COc1ccccc1[C@H](C)NC(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160564264 463350153 /nfs/dbraw/zinc/35/01/53/463350153.db2.gz OWJMKWPMESIEEP-RZQQEMMASA-N 1 0 346.471 2.499 20 70 EEIDRO C[NH2+][C@H]1CCN(C(=O)c2ccc(COc3ccccc3OC)o2)C1 ZINC000160659146 463359783 /nfs/dbraw/zinc/35/97/83/463359783.db2.gz LHRLETRGNCGCOA-ZDUSSCGKSA-N 1 0 330.384 2.301 20 70 EEIDRO CC[C@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)c1ccc(F)cc1 ZINC000160777598 463370643 /nfs/dbraw/zinc/37/06/43/463370643.db2.gz ZBSATOKUEQSGBF-KRWDZBQOSA-N 1 0 343.402 2.282 20 70 EEIDRO C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)CCN1C(=O)CCC1=O ZINC000161239658 463412599 /nfs/dbraw/zinc/41/25/99/463412599.db2.gz RDQGNUYLNTXEIN-UHFFFAOYSA-N 1 0 340.427 2.090 20 70 EEIDRO C[NH2+]C[C@@H]1CCCN1C(=O)CCNc1cc(Cl)ccc1OC ZINC000161378146 463426836 /nfs/dbraw/zinc/42/68/36/463426836.db2.gz PGIRGQQEBWHMFO-ZDUSSCGKSA-N 1 0 325.840 2.361 20 70 EEIDRO CC1CC[NH+](C2CCC(NC(=O)CNC(=O)C(C)(C)C)CC2)CC1 ZINC000161482951 463433307 /nfs/dbraw/zinc/43/33/07/463433307.db2.gz LTYCIXBDDHXTSA-UHFFFAOYSA-N 1 0 337.508 2.308 20 70 EEIDRO CC(C)(C)CC[NH+]1CCN(C(=O)c2cccc3[nH]c(=O)oc32)CC1 ZINC000160272197 527663928 /nfs/dbraw/zinc/66/39/28/527663928.db2.gz QCVKONBOPBMVAI-UHFFFAOYSA-N 1 0 331.416 2.315 20 70 EEIDRO CCC[C@H]1CN(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000160148630 528394950 /nfs/dbraw/zinc/39/49/50/528394950.db2.gz QQZNWEXRSKPINX-SFHVURJKSA-N 1 0 349.475 2.338 20 70 EEIDRO CN(CC(=O)Nc1ccccc1Br)[C@@H](C[NH3+])C1CC1 ZINC000160121641 529839105 /nfs/dbraw/zinc/83/91/05/529839105.db2.gz RKQPQHKBCQJTLD-ZDUSSCGKSA-N 1 0 326.238 2.057 20 70 EEIDRO Cc1ccc(NC(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)cn1 ZINC000161471629 539528000 /nfs/dbraw/zinc/52/80/00/539528000.db2.gz NVSMRYNDMGNHDA-IAGOWNOFSA-N 1 0 345.491 2.412 20 70 EEIDRO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CCC[C@H]1C[NH3+] ZINC000160352555 533295384 /nfs/dbraw/zinc/29/53/84/533295384.db2.gz BMRGERFCUZFNKY-ZJUUUORDSA-N 1 0 344.242 2.061 20 70 EEIDRO C[C@@H]1C[N@@H+](CCCCNC(=O)c2cccc3[nH]cnc32)C[C@H](C)O1 ZINC000159828941 225285126 /nfs/dbraw/zinc/28/51/26/225285126.db2.gz WQICATUOSGFUSV-OKILXGFUSA-N 1 0 330.432 2.182 20 70 EEIDRO C[C@@H](OCc1ccccc1)C(=O)N(C)CC(C)(C)CN1CCOCC1 ZINC000160074286 311349659 /nfs/dbraw/zinc/34/96/59/311349659.db2.gz OYRHGHSRMNGVLI-QGZVFWFLSA-N 1 0 348.487 2.409 20 70 EEIDRO CC[C@H](C(=O)NCc1ccc(C(=O)Nc2cccnc2)cc1)[NH+](C)C ZINC000160271997 311352264 /nfs/dbraw/zinc/35/22/64/311352264.db2.gz CCHPTWKXEWZBOL-QGZVFWFLSA-N 1 0 340.427 2.290 20 70 EEIDRO Cc1c(CNC(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)cnn1C ZINC000160516751 311355178 /nfs/dbraw/zinc/35/51/78/311355178.db2.gz KUNSGPFZPQUVFF-ZIAGYGMSSA-N 1 0 335.496 2.284 20 70 EEIDRO CCN(Cc1cnn(-c2ccc(F)cc2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000160586254 311356163 /nfs/dbraw/zinc/35/61/63/311356163.db2.gz AJFWFFWHHUHLNH-INIZCTEOSA-N 1 0 337.420 2.020 20 70 EEIDRO CC(C)[NH2+]CCC(=O)NCc1cccc(COC2CCOCC2)c1 ZINC000159537826 463291266 /nfs/dbraw/zinc/29/12/66/463291266.db2.gz SIMPQVUHZNUELV-UHFFFAOYSA-N 1 0 334.460 2.387 20 70 EEIDRO CN(C)c1cccc(C[N@H+](C)CCN2C(=O)NC3(CCCC3)C2=O)c1 ZINC000159885474 463309670 /nfs/dbraw/zinc/30/96/70/463309670.db2.gz QWMNRMMHEUSEPU-UHFFFAOYSA-N 1 0 344.459 2.049 20 70 EEIDRO CCC[NH+]1CCC(CNC(=O)c2cnn(C3CCOCC3)c2C)CC1 ZINC000160437613 463338484 /nfs/dbraw/zinc/33/84/84/463338484.db2.gz XPFWYWJNUKENEA-UHFFFAOYSA-N 1 0 348.491 2.395 20 70 EEIDRO C[C@@H](CNC(=O)c1cccc(-c2nc[nH]n2)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000160460457 463339979 /nfs/dbraw/zinc/33/99/79/463339979.db2.gz UICCDUFITJSMEK-KBPBESRZSA-N 1 0 327.432 2.322 20 70 EEIDRO O=C(Cc1ccc(F)c(Br)c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160489843 463342795 /nfs/dbraw/zinc/34/27/95/463342795.db2.gz KLOCZMSZRDONHL-TXEJJXNPSA-N 1 0 341.224 2.484 20 70 EEIDRO CCc1ccc(CC(=O)N2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000160733132 463365549 /nfs/dbraw/zinc/36/55/49/463365549.db2.gz OVDFPFPIUCHFKT-UHFFFAOYSA-N 1 0 330.472 2.362 20 70 EEIDRO CC(C)OC(=O)c1ccc(NC(=O)[C@@H](C)[N@H+](C)C[C@H](O)C2CC2)cc1 ZINC000160866124 463378264 /nfs/dbraw/zinc/37/82/64/463378264.db2.gz DVWHSXHZUXHXIX-DYVFJYSZSA-N 1 0 348.443 2.282 20 70 EEIDRO COCCN(C(=O)[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(OC)c(OC)c1 ZINC000160970343 463387331 /nfs/dbraw/zinc/38/73/31/463387331.db2.gz GPHBTNGTHKWFTN-KGLIPLIRSA-N 1 0 336.432 2.201 20 70 EEIDRO C[NH2+]C[C@@H]1CCCN1C(=O)Cc1c(C)nn(-c2ccc(F)cc2)c1C ZINC000161280528 463416140 /nfs/dbraw/zinc/41/61/40/463416140.db2.gz BLXLXLCRVVFHCW-KRWDZBQOSA-N 1 0 344.434 2.381 20 70 EEIDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H](C)C2CCOCC2)c1 ZINC000161502436 463434859 /nfs/dbraw/zinc/43/48/59/463434859.db2.gz XOIGYIVLTJTOOO-QWHCGFSZSA-N 1 0 326.462 2.060 20 70 EEIDRO O=C(c1cccc(-n2ccnn2)c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000159816726 534733273 /nfs/dbraw/zinc/73/32/73/534733273.db2.gz DWFKNNPEUQZYBP-UHFFFAOYSA-N 1 0 339.443 2.358 20 70 EEIDRO CC(=O)Nc1ccc(CC(=O)N2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000159772312 526961513 /nfs/dbraw/zinc/96/15/13/526961513.db2.gz KKEUZWPPHQRZCM-UHFFFAOYSA-N 1 0 329.444 2.178 20 70 EEIDRO CC[NH+](CC)[C@@H](CNC(=O)N(C)C[C@@H]1CCC[C@@H]1O)c1ccco1 ZINC000160217204 528236949 /nfs/dbraw/zinc/23/69/49/528236949.db2.gz GNADEOXFEFUBTO-JYJNAYRXSA-N 1 0 337.464 2.465 20 70 EEIDRO CC[NH+](CC)[C@H](CNC(=O)N(C)C[C@H]1CCC[C@@H]1O)c1ccco1 ZINC000160217549 528270272 /nfs/dbraw/zinc/27/02/72/528270272.db2.gz GNADEOXFEFUBTO-OAGGEKHMSA-N 1 0 337.464 2.465 20 70 EEIDRO CCOc1ccc(/C=C/C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000160147116 528365393 /nfs/dbraw/zinc/36/53/93/528365393.db2.gz OZUZXQHRLLBKFX-VGMNTSGFSA-N 1 0 332.444 2.062 20 70 EEIDRO COc1cccc(COCCNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000160619770 539522864 /nfs/dbraw/zinc/52/28/64/539522864.db2.gz DVIXMKHKNHMVDW-KRWDZBQOSA-N 1 0 347.459 2.092 20 70 EEIDRO C[C@H](C(=O)Nc1ccc(Cl)cn1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161336097 539527380 /nfs/dbraw/zinc/52/73/80/539527380.db2.gz RPQQMCWSELMQOU-CYBMUJFWSA-N 1 0 345.834 2.279 20 70 EEIDRO O=C([C@H]1CCN(c2ccc(Cl)cc2)C1=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159474687 255795688 /nfs/dbraw/zinc/79/56/88/255795688.db2.gz IHFRNGITZRKFNZ-IJEWVQPXSA-N 1 0 347.846 2.046 20 70 EEIDRO C[NH+](C)[C@H](CNC(=O)N[C@@H]1CCO[C@H](C2CC2)C1)Cc1ccccc1 ZINC000159491839 143799544 /nfs/dbraw/zinc/79/95/44/143799544.db2.gz LSCJTXMRBUYUOZ-QYZOEREBSA-N 1 0 345.487 2.416 20 70 EEIDRO Cc1cc(C)cc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)c1 ZINC000159479592 225225197 /nfs/dbraw/zinc/22/51/97/225225197.db2.gz NMZMQHSOFXCVGK-MRXNPFEDSA-N 1 0 331.460 2.336 20 70 EEIDRO Cc1cccc(OCC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1 ZINC000160179545 225354848 /nfs/dbraw/zinc/35/48/48/225354848.db2.gz HPJJKUHDBVDMPB-RTBURBONSA-N 1 0 346.471 2.258 20 70 EEIDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NC[C@H](O)C(C)(C)C)CC1 ZINC000161318486 290275093 /nfs/dbraw/zinc/27/50/93/290275093.db2.gz HBQUQYUPYAMPRS-PBHICJAKSA-N 1 0 348.491 2.313 20 70 EEIDRO Cc1ccc(Nc2nc(N)nc(CN(C)C[C@@H]3CCC[C@@H]3O)n2)cc1 ZINC000159731694 311345173 /nfs/dbraw/zinc/34/51/73/311345173.db2.gz JRKUFDCZDUXDNV-ZFWWWQNUSA-N 1 0 342.447 2.099 20 70 EEIDRO CC(C)Oc1cncc(C(=O)N(C)CC(C)(C)CN2CCOCC2)c1 ZINC000159756217 311345478 /nfs/dbraw/zinc/34/54/78/311345478.db2.gz GCJLXDOMPMUJAR-UHFFFAOYSA-N 1 0 349.475 2.299 20 70 EEIDRO CC[NH+]1CCC(NC(=O)CN2CCC[C@@H]2c2cccc(C)n2)CC1 ZINC000159826621 311346980 /nfs/dbraw/zinc/34/69/80/311346980.db2.gz LCALEJCRYQKRMZ-GOSISDBHSA-N 1 0 330.476 2.127 20 70 EEIDRO C[N@@H+]1CC[C@@H](CNC(=O)Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000160105584 311350036 /nfs/dbraw/zinc/35/00/36/311350036.db2.gz KEQNHEWVEFESOB-KRWDZBQOSA-N 1 0 339.439 2.271 20 70 EEIDRO CC(C)c1nc(N(C)C)nc(N(CC[NH+](C)C)Cc2ccccn2)n1 ZINC000160717540 311357749 /nfs/dbraw/zinc/35/77/49/311357749.db2.gz MSHQYVBTUOQPRE-UHFFFAOYSA-N 1 0 343.479 2.024 20 70 EEIDRO Cc1ccsc1[C@H]1C[C@@H]1C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000161459968 311366210 /nfs/dbraw/zinc/36/62/10/311366210.db2.gz QXSVJNJURWWOGL-HOTGVXAUSA-N 1 0 335.517 2.304 20 70 EEIDRO [NH3+][C@H](C(=O)NCCCC(=O)N1Cc2ccccc2C1)c1ccccc1 ZINC000159804014 463304880 /nfs/dbraw/zinc/30/48/80/463304880.db2.gz XPWOEEVOVZLJNO-IBGZPJMESA-N 1 0 337.423 2.125 20 70 EEIDRO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2c[nH]cn2)CC[N@@H+]1Cc1ccccc1 ZINC000159990324 463314097 /nfs/dbraw/zinc/31/40/97/463314097.db2.gz WTUORWKCTXPZBX-HOCLYGCPSA-N 1 0 348.472 2.083 20 70 EEIDRO CC(C)[C@@H](O)CCNC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000159997280 463314731 /nfs/dbraw/zinc/31/47/31/463314731.db2.gz AKWNZMYDWNCARQ-NJAFHUGGSA-N 1 0 333.476 2.213 20 70 EEIDRO CCN1CCN(C(=O)CC2CC[NH+](Cc3ccc(C)cn3)CC2)CC1 ZINC000160120477 463320388 /nfs/dbraw/zinc/32/03/88/463320388.db2.gz JUSWLWGSVQKYNE-UHFFFAOYSA-N 1 0 344.503 2.156 20 70 EEIDRO C[C@@H](Oc1cccc(Br)c1)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000160323285 463328852 /nfs/dbraw/zinc/32/88/52/463328852.db2.gz URSSEBSKQOZCLE-ZYHUDNBSSA-N 1 0 327.222 2.166 20 70 EEIDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CCC[C@@](C)(O)C2)C1 ZINC000160359910 463331933 /nfs/dbraw/zinc/33/19/33/463331933.db2.gz YZNJREISFWJVLH-JFIYKMOQSA-N 1 0 325.497 2.301 20 70 EEIDRO C[C@H](CCc1ccccc1F)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160413813 463335887 /nfs/dbraw/zinc/33/58/87/463335887.db2.gz QUNCMMQNXMSYPU-NVXWUHKLSA-N 1 0 336.451 2.357 20 70 EEIDRO CCC([NH3+])(CC)CNC(=O)[C@H]1CCCCN1C(=O)c1cccs1 ZINC000160431809 463338312 /nfs/dbraw/zinc/33/83/12/463338312.db2.gz NQFBIYWJHDMMNQ-CYBMUJFWSA-N 1 0 337.489 2.377 20 70 EEIDRO O=C(NCC1CC[NH+](CCO)CC1)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000160535739 463347814 /nfs/dbraw/zinc/34/78/14/463347814.db2.gz AGUSSYYSDGHARD-DLBZAZTESA-N 1 0 336.863 2.264 20 70 EEIDRO CC[C@@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccc2c(c1)OCCO2 ZINC000160547230 463349544 /nfs/dbraw/zinc/34/95/44/463349544.db2.gz DPODZZLBLLCMQV-LLVKDONJSA-N 1 0 332.322 2.177 20 70 EEIDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)N(CCO)Cc1ccccc1 ZINC000160791898 463371241 /nfs/dbraw/zinc/37/12/41/463371241.db2.gz QMQJSPHNGFGEKL-KRWDZBQOSA-N 1 0 331.460 2.207 20 70 EEIDRO CC[C@@H](COC)[NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000160951089 463385511 /nfs/dbraw/zinc/38/55/11/463385511.db2.gz GNCVWGGVPMFRBY-DAYGRLMNSA-N 1 0 334.460 2.451 20 70 EEIDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000161011232 463390580 /nfs/dbraw/zinc/39/05/80/463390580.db2.gz KOQFUCWFRPQUBX-QRQLOZEOSA-N 1 0 345.487 2.454 20 70 EEIDRO C[C@@H](NC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(NC(N)=O)cc1 ZINC000161076014 463397410 /nfs/dbraw/zinc/39/74/10/463397410.db2.gz AFJWHCXJCZQVPE-OLZOCXBDSA-N 1 0 345.447 2.022 20 70 EEIDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(CNC(=O)C(C)(C)C)cc1)C1CC1 ZINC000161160197 463405554 /nfs/dbraw/zinc/40/55/54/463405554.db2.gz FMUOIFUOKAEFQQ-KRWDZBQOSA-N 1 0 345.487 2.419 20 70 EEIDRO COCCOc1cccc(CC(=O)NCCC[NH+]2CCC(C)CC2)c1 ZINC000161204050 463410691 /nfs/dbraw/zinc/41/06/91/463410691.db2.gz PLERVCPUOOTHGJ-UHFFFAOYSA-N 1 0 348.487 2.493 20 70 EEIDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H](C)C2CCOCC2)c1 ZINC000161502565 463434343 /nfs/dbraw/zinc/43/43/43/463434343.db2.gz XOIGYIVLTJTOOO-OLZOCXBDSA-N 1 0 326.462 2.060 20 70 EEIDRO C[C@H](NC(=O)c1cccs1)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000159618705 533764570 /nfs/dbraw/zinc/76/45/70/533764570.db2.gz UZRRVUIUOBHHNJ-ZDUSSCGKSA-N 1 0 337.489 2.295 20 70 EEIDRO C[C@@H](c1ccncc1)N(C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000159614420 534128451 /nfs/dbraw/zinc/12/84/51/534128451.db2.gz ZIVHAKHTRTZBGT-LPHOPBHVSA-N 1 0 340.471 2.494 20 70 EEIDRO C[C@@]1([NH2+]Cc2cc(Br)c3c(c2)OCCO3)CCOC1 ZINC000160181276 534274901 /nfs/dbraw/zinc/27/49/01/534274901.db2.gz RVRLXNGQWYKPOW-CQSZACIVSA-N 1 0 328.206 2.489 20 70 EEIDRO O=C(Cc1cccc(C(F)(F)F)c1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160003225 534717952 /nfs/dbraw/zinc/71/79/52/534717952.db2.gz GFLPVWWFUQSFKZ-OAHLLOKOSA-N 1 0 344.377 2.211 20 70 EEIDRO O=C(NC1CC[NH+](C2CC2)CC1)c1ccnc(OCC(F)(F)F)c1 ZINC000159372988 534797494 /nfs/dbraw/zinc/79/74/94/534797494.db2.gz SDKNKBHACURJPM-UHFFFAOYSA-N 1 0 343.349 2.379 20 70 EEIDRO CC[NH+](CC)CCNC(=O)NC[C@@](C)(O)c1ccccc1Cl ZINC000159457859 528131341 /nfs/dbraw/zinc/13/13/41/528131341.db2.gz QYFNNDQVFYQAFD-MRXNPFEDSA-N 1 0 327.856 2.189 20 70 EEIDRO CC(C)(C)c1cc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)[nH]n1 ZINC000160414642 539521156 /nfs/dbraw/zinc/52/11/56/539521156.db2.gz NWKKXSLRCUSJDD-HZPDHXFCSA-N 1 0 348.491 2.205 20 70 EEIDRO O=C(N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)N1CC[NH+](C2CCCC2)CC1 ZINC000160995363 284151478 /nfs/dbraw/zinc/15/14/78/284151478.db2.gz XXBVEEOEPRVPLZ-ZACQAIPSSA-N 1 0 333.476 2.214 20 70 EEIDRO COC(=O)c1ccc2[nH]cc(C(=O)C[N@H+](C)C[C@H]3CCCOC3)c2c1 ZINC000161020654 255801241 /nfs/dbraw/zinc/80/12/41/255801241.db2.gz ZWKFANCFUCKVGM-CYBMUJFWSA-N 1 0 344.411 2.496 20 70 EEIDRO O=C(NCC[NH2+]C1CCCCCC1)c1ccnc(-n2cccn2)c1 ZINC000159710986 225264819 /nfs/dbraw/zinc/26/48/19/225264819.db2.gz HAAXSYIBBCJKHL-UHFFFAOYSA-N 1 0 327.432 2.310 20 70 EEIDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCC[C@@](C)(O)C1 ZINC000159974120 225312979 /nfs/dbraw/zinc/31/29/79/225312979.db2.gz OBWZFIOCYRESMH-VDZJLULYSA-N 1 0 331.460 2.063 20 70 EEIDRO CN(C)C(=O)Nc1cccc(C(=O)NCC[NH+]2CCCCCC2)c1 ZINC000159655083 225255517 /nfs/dbraw/zinc/25/55/17/225255517.db2.gz ICZGDGSDMJBVTM-UHFFFAOYSA-N 1 0 332.448 2.386 20 70 EEIDRO Cc1cccc(-n2cc(C(=O)NC3CC[NH+](CC(C)C)CC3)nn2)c1 ZINC000161376294 225615241 /nfs/dbraw/zinc/61/52/41/225615241.db2.gz YYDBBYKKPQZHJM-UHFFFAOYSA-N 1 0 341.459 2.426 20 70 EEIDRO CN1CCN(c2ncc(C[NH2+][C@@H]3CCCc4sccc43)cn2)CC1 ZINC000160966309 277114671 /nfs/dbraw/zinc/11/46/71/277114671.db2.gz KYZUHPQQJFSOKG-MRXNPFEDSA-N 1 0 343.500 2.457 20 70 EEIDRO CCN1CC[NH+](C[C@H](C)CNC(=O)NCC2(C3CC3)CCC2)CC1 ZINC000159677346 311344661 /nfs/dbraw/zinc/34/46/61/311344661.db2.gz HULQIHVSGWBFSS-MRXNPFEDSA-N 1 0 336.524 2.140 20 70 EEIDRO CCC(=O)N1CC[C@@H](C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)C1 ZINC000159595173 463293781 /nfs/dbraw/zinc/29/37/81/463293781.db2.gz KONNTCRFSYPGND-GOSISDBHSA-N 1 0 349.519 2.360 20 70 EEIDRO CC[C@H]([NH2+]Cc1cn(C)nc1C)c1ccccc1OCC(=O)N(C)C ZINC000160330863 463328246 /nfs/dbraw/zinc/32/82/46/463328246.db2.gz ZQTNVBVBCFHKGA-KRWDZBQOSA-N 1 0 344.459 2.436 20 70 EEIDRO O=C(CCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccc2c(c1)CCC2 ZINC000160329680 463328563 /nfs/dbraw/zinc/32/85/63/463328563.db2.gz JCNAPKRFIZSWTM-HDICACEKSA-N 1 0 326.440 2.491 20 70 EEIDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)cc1C ZINC000160982072 463388648 /nfs/dbraw/zinc/38/86/48/463388648.db2.gz RWPVVCFTKYHQFN-OAHLLOKOSA-N 1 0 339.439 2.369 20 70 EEIDRO CSCC[C@@H]([NH3+])C(=O)Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1 ZINC000161041633 463394279 /nfs/dbraw/zinc/39/42/79/463394279.db2.gz XVSZHYGSRRQQKF-OWCLPIDISA-N 1 0 338.473 2.388 20 70 EEIDRO Cc1cnccc1CCNC(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000159904420 534697128 /nfs/dbraw/zinc/69/71/28/534697128.db2.gz DPVKENMIMPZMHK-UHFFFAOYSA-N 1 0 326.444 2.364 20 70 EEIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(N3CCOC3=O)cc1)CC2 ZINC000160346529 534703757 /nfs/dbraw/zinc/70/37/57/534703757.db2.gz QEBDPGSTSVCFAP-DOMZBBRYSA-N 1 0 341.415 2.209 20 70 EEIDRO Cc1conc1NC(=O)C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000160147925 534756357 /nfs/dbraw/zinc/75/63/57/534756357.db2.gz ACUSYQJYDJOYEL-UHFFFAOYSA-N 1 0 344.415 2.078 20 70 EEIDRO CCCC[C@@H](C)[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000159748006 528764321 /nfs/dbraw/zinc/76/43/21/528764321.db2.gz SSHGYYJWAOWJIC-OAHLLOKOSA-N 1 0 340.489 2.376 20 70 EEIDRO CCC([NH3+])(CC)CNC(=O)CCCNC(=O)c1ccc(Cl)cc1 ZINC000160486418 528925131 /nfs/dbraw/zinc/92/51/31/528925131.db2.gz RGMSUDVVAVRFTR-UHFFFAOYSA-N 1 0 339.867 2.484 20 70 EEIDRO CCC([NH3+])(CC)CNC(=O)[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000160484737 528945943 /nfs/dbraw/zinc/94/59/43/528945943.db2.gz XUASOTRHBPOSTN-CQSZACIVSA-N 1 0 337.851 2.327 20 70 EEIDRO C[C@@H](OC[C@H]1CCCCO1)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000159727722 296207256 /nfs/dbraw/zinc/20/72/56/296207256.db2.gz ARZVSBCJBCPFHI-NVXWUHKLSA-N 1 0 326.481 2.389 20 70 EEIDRO C[C@@H](O)C[N@H+](C)[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000159437872 533649900 /nfs/dbraw/zinc/64/99/00/533649900.db2.gz KBAHSDLLPOLILL-BXUZGUMPSA-N 1 0 328.359 2.096 20 70 EEIDRO COC1(C(=O)NC[C@@H]2CCCO[C@H]2c2ccc(C)cc2)CC[NH2+]CC1 ZINC000159535792 225234357 /nfs/dbraw/zinc/23/43/57/225234357.db2.gz ZLTKSEGMSQQACM-ROUUACIJSA-N 1 0 346.471 2.348 20 70 EEIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@H]1C[C@@H]1c1ccc(F)cc1F ZINC000160366161 225398236 /nfs/dbraw/zinc/39/82/36/225398236.db2.gz SUKWNBPFFCYTHZ-IMJJTQAJSA-N 1 0 338.398 2.031 20 70 EEIDRO O=C(NCCc1nc(-c2cccc(Cl)c2)no1)[C@@H]1CCC[NH2+]C1 ZINC000160174788 225355009 /nfs/dbraw/zinc/35/50/09/225355009.db2.gz RSVOFQMUBHYWQC-GFCCVEGCSA-N 1 0 334.807 2.048 20 70 EEIDRO C[NH+](C)CCNC(=O)Nc1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000160973064 225518324 /nfs/dbraw/zinc/51/83/24/225518324.db2.gz ULWDOSPTKFAGSU-UHFFFAOYSA-N 1 0 336.436 2.394 20 70 EEIDRO COc1ccc(CC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)cc1OC ZINC000160606460 295116509 /nfs/dbraw/zinc/11/65/09/295116509.db2.gz DLBHNRCVOBIPSB-MRXNPFEDSA-N 1 0 334.460 2.483 20 70 EEIDRO CC(C)c1nc(CN2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)cs1 ZINC000159363618 463281234 /nfs/dbraw/zinc/28/12/34/463281234.db2.gz LJGDSTARWOPNTM-HNNXBMFYSA-N 1 0 336.505 2.181 20 70 EEIDRO O=C([C@@H]1CCN(c2ccc(Cl)cc2)C1=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159474833 463288808 /nfs/dbraw/zinc/28/88/08/463288808.db2.gz IHFRNGITZRKFNZ-LZWOXQAQSA-N 1 0 347.846 2.046 20 70 EEIDRO C[NH+](C)CC1(CNC(=O)Nc2ccnn2C[C@@H]2CCOC2)CCCC1 ZINC000159481765 463289145 /nfs/dbraw/zinc/28/91/45/463289145.db2.gz DDOMKMSSAAEXSA-HNNXBMFYSA-N 1 0 349.479 2.163 20 70 EEIDRO COC(=O)c1ccc2c(c1)nc(C[N@@H+]1CC[C@@H]3CCCC[C@@H]31)[nH]c2=O ZINC000159643575 463295980 /nfs/dbraw/zinc/29/59/80/463295980.db2.gz SWYHYINKDSEEMV-LRDDRELGSA-N 1 0 341.411 2.474 20 70 EEIDRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)c3ccc(C(N)=O)cn3)c2C1 ZINC000159932952 463311082 /nfs/dbraw/zinc/31/10/82/463311082.db2.gz VIYSNYRNGBTIRC-UHFFFAOYSA-N 1 0 338.411 2.404 20 70 EEIDRO C[C@H]1C[C@H](N(C)S(=O)(=O)c2c[nH]cn2)CC[N@@H+]1Cc1ccccc1 ZINC000159990076 463314600 /nfs/dbraw/zinc/31/46/00/463314600.db2.gz WTUORWKCTXPZBX-GOEBONIOSA-N 1 0 348.472 2.083 20 70 EEIDRO CC[N@H+](CCNC(=O)Nc1ccc(O[C@@H]2CCOC2)cc1)C1CC1 ZINC000160432147 463338572 /nfs/dbraw/zinc/33/85/72/463338572.db2.gz CYGFXDZKVPZZNO-QGZVFWFLSA-N 1 0 333.432 2.460 20 70 EEIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cncc(-c2ccccc2)c1 ZINC000160508555 463343916 /nfs/dbraw/zinc/34/39/16/463343916.db2.gz MDAYQKGNKXQQRM-LJQANCHMSA-N 1 0 339.439 2.325 20 70 EEIDRO Cc1ccc(CC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)s1 ZINC000160539769 463348002 /nfs/dbraw/zinc/34/80/02/463348002.db2.gz ZXTVJGGXFAHKFQ-IRXDYDNUSA-N 1 0 336.501 2.483 20 70 EEIDRO CC(C)CC(=O)NCCC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000160629018 463356548 /nfs/dbraw/zinc/35/65/48/463356548.db2.gz XOBMHJHSRAIDOQ-MRXNPFEDSA-N 1 0 325.497 2.310 20 70 EEIDRO Cc1ccc(C(=O)CCC(=O)CCC(=O)N2CCC[NH2+]CC2)s1 ZINC000160820422 463373883 /nfs/dbraw/zinc/37/38/83/463373883.db2.gz PFAZOZGVWJHZRX-UHFFFAOYSA-N 1 0 336.457 2.191 20 70 EEIDRO CCC(CC)(C[NH3+])C(=O)N(C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000161232488 463413231 /nfs/dbraw/zinc/41/32/31/463413231.db2.gz SMSUMWDEMGBFEB-INIZCTEOSA-N 1 0 331.460 2.406 20 70 EEIDRO CCC(CC)n1nccc1C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000161374389 463426530 /nfs/dbraw/zinc/42/65/30/463426530.db2.gz CYFGHYMGVONNOM-GASCZTMLSA-N 1 0 336.480 2.473 20 70 EEIDRO CN1C(=O)C[C@H](C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)[C@@H]1c1cccc(Cl)c1 ZINC000161459001 463432631 /nfs/dbraw/zinc/43/26/31/463432631.db2.gz XXODBSVQVSJMTA-IVSAIRAKSA-N 1 0 349.862 2.246 20 70 EEIDRO C[C@@H]1CC[C@H](CCC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)O1 ZINC000160421585 534233558 /nfs/dbraw/zinc/23/35/58/534233558.db2.gz UHWCOYSHYFXLMB-DDBAPUKQSA-N 1 0 338.492 2.218 20 70 EEIDRO CC(C)NC(=O)c1ccc(C(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000160265576 527719955 /nfs/dbraw/zinc/71/99/55/527719955.db2.gz WXUVECXKIIIELN-HNNXBMFYSA-N 1 0 331.460 2.429 20 70 EEIDRO CC1CC[NH+](Cc2cccc(CNC(=O)C[C@H]3COC(=O)C3)c2)CC1 ZINC000160261218 528255760 /nfs/dbraw/zinc/25/57/60/528255760.db2.gz MSTPJTFYLDIQCM-GOSISDBHSA-N 1 0 344.455 2.488 20 70 EEIDRO CC(C)[C@@H]([NH3+])C(=O)Nc1ccc(OCc2noc(C3CC3)n2)cc1 ZINC000159769800 528499127 /nfs/dbraw/zinc/49/91/27/528499127.db2.gz MAQLYQAOBDORIZ-OAHLLOKOSA-N 1 0 330.388 2.448 20 70 EEIDRO CC(C)[C@H](CNC(=O)[C@H](C)Cc1ccccc1F)[NH+]1CCN(C)CC1 ZINC000160053173 529009462 /nfs/dbraw/zinc/00/94/62/529009462.db2.gz ISXUXBFNNKSRDQ-APWZRJJASA-N 1 0 349.494 2.393 20 70 EEIDRO C[C@H](C(=O)Nc1ccc2c(c1)OC(F)(F)O2)[N@H+](C)C[C@H](O)C1CC1 ZINC000160819044 539524079 /nfs/dbraw/zinc/52/40/79/539524079.db2.gz AFNSLSYXHKUSID-SKDRFNHKSA-N 1 0 342.342 2.038 20 70 EEIDRO Cn1cc(-c2ncc(C(=O)N3CCC([NH2+]CC4CC4)CC3)s2)cn1 ZINC000159841328 237223218 /nfs/dbraw/zinc/22/32/18/237223218.db2.gz DHAPFKHXWYMCMX-UHFFFAOYSA-N 1 0 345.472 2.148 20 70 EEIDRO Cc1ccc(Nc2cccc(C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)c2)nn1 ZINC000159937064 237227586 /nfs/dbraw/zinc/22/75/86/237227586.db2.gz YUKWWQADHXYDNP-CALCHBBNSA-N 1 0 337.427 2.495 20 70 EEIDRO COc1ccccc1[C@@H](C)CC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160299768 532963330 /nfs/dbraw/zinc/96/33/30/532963330.db2.gz YMYMXYHXHJKCIP-JKSUJKDBSA-N 1 0 334.460 2.152 20 70 EEIDRO CC[C@@H]1CN(Cc2noc(C3CCCCC3)n2)CC[N@@H+]1C[C@@H](C)O ZINC000159914492 143804808 /nfs/dbraw/zinc/80/48/08/143804808.db2.gz NFKSMNSSWNFOKG-GDBMZVCRSA-N 1 0 336.480 2.394 20 70 EEIDRO O=C(CCc1cc(Cl)ccc1Br)N1CC[NH2+]CC1 ZINC000159378836 225205494 /nfs/dbraw/zinc/20/54/94/225205494.db2.gz FKXCLTCBOCAAFP-UHFFFAOYSA-N 1 0 331.641 2.467 20 70 EEIDRO C[C@H](C(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(Cl)s1 ZINC000160139557 225346263 /nfs/dbraw/zinc/34/62/63/225346263.db2.gz JESQNNGXDFYEMO-NWDGAFQWSA-N 1 0 330.881 2.468 20 70 EEIDRO CO[C@H]1CCN(C(=O)c2cccc(Br)c2)[C@@H](C[NH3+])C1 ZINC000161043138 277339975 /nfs/dbraw/zinc/33/99/75/277339975.db2.gz RRMHNMKIBNJGTH-OLZOCXBDSA-N 1 0 327.222 2.027 20 70 EEIDRO COC(=O)c1cccc(CC(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000159447978 311341419 /nfs/dbraw/zinc/34/14/19/311341419.db2.gz LJIXFUOTHCGIOF-BZUAXINKSA-N 1 0 346.471 2.498 20 70 EEIDRO Cc1c(CNC(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cnn1C ZINC000160275799 311352334 /nfs/dbraw/zinc/35/23/34/311352334.db2.gz QSAPDANDSVVAGJ-GJZGRUSLSA-N 1 0 335.496 2.286 20 70 EEIDRO C[C@H]([NH2+]CC(=O)NCC(F)(F)F)c1cnn(Cc2ccccc2)c1 ZINC000160600614 311356402 /nfs/dbraw/zinc/35/64/02/311356402.db2.gz SZNXZQYGNWOSMR-LBPRGKRZSA-N 1 0 340.349 2.261 20 70 EEIDRO CC[C@H](CNC(=O)N1CCC[C@](C)(O)C1)[N@@H+]1CCc2ccccc2C1 ZINC000160298563 463327429 /nfs/dbraw/zinc/32/74/29/463327429.db2.gz WOWIQDSRBLGIIB-QUCCMNQESA-N 1 0 345.487 2.380 20 70 EEIDRO C[C@@]1(O)CCCN(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000160322730 463328534 /nfs/dbraw/zinc/32/85/34/463328534.db2.gz FLFVFYGSDQYMGJ-PKOBYXMFSA-N 1 0 331.460 2.380 20 70 EEIDRO Cc1nc2ccccn2c1C[N@@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000160366731 463331412 /nfs/dbraw/zinc/33/14/12/463331412.db2.gz CTTWHGNAIDMXKZ-QGZVFWFLSA-N 1 0 328.460 2.187 20 70 EEIDRO C[NH2+][C@H]1CCN(C(=O)CCc2ccc(OC)c(Br)c2)C1 ZINC000160563577 463350758 /nfs/dbraw/zinc/35/07/58/463350758.db2.gz FWAVBFHHIAIYJC-LBPRGKRZSA-N 1 0 341.249 2.211 20 70 EEIDRO CC[C@@H](C)C[N@H+](CC)[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000160598555 463353454 /nfs/dbraw/zinc/35/34/54/463353454.db2.gz DQWGLRIERLIEFQ-OLZOCXBDSA-N 1 0 341.477 2.029 20 70 EEIDRO Cc1ncc(/C=C/C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)s1 ZINC000160641755 463357755 /nfs/dbraw/zinc/35/77/55/463357755.db2.gz YHBNJVYQSLXXDL-SGUAIBKKSA-N 1 0 349.500 2.349 20 70 EEIDRO C[NH2+][C@@H]1CCN(C(=O)CCCOc2ccccc2Br)C1 ZINC000160703879 463364089 /nfs/dbraw/zinc/36/40/89/463364089.db2.gz WGAGZVIIOGTHRK-GFCCVEGCSA-N 1 0 341.249 2.428 20 70 EEIDRO CSCC[C@H]([NH3+])C(=O)NCc1nc(-c2cccc(Cl)c2)no1 ZINC000160936900 463383524 /nfs/dbraw/zinc/38/35/24/463383524.db2.gz DWPYXJRXFJYRGL-NSHDSACASA-N 1 0 340.836 2.087 20 70 EEIDRO Cc1ccsc1[C@@H](C)[NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1 ZINC000160986746 463388332 /nfs/dbraw/zinc/38/83/32/463388332.db2.gz RGYOAQCIGOLSLK-GFCCVEGCSA-N 1 0 331.441 2.122 20 70 EEIDRO COc1cccc(OCCC[NH2+][C@H](C(N)=O)c2ccc(F)cc2)c1 ZINC000160991304 463389777 /nfs/dbraw/zinc/38/97/77/463389777.db2.gz HHKRTCNUHCJGIL-KRWDZBQOSA-N 1 0 332.375 2.419 20 70 EEIDRO CC[NH2+]CC1CCN(C(=O)Cc2ccc(-n3cccn3)cc2)CC1 ZINC000161085484 463398252 /nfs/dbraw/zinc/39/82/52/463398252.db2.gz RBMGFAQRBVVQKB-UHFFFAOYSA-N 1 0 326.444 2.263 20 70 EEIDRO CC(=O)N[C@H](CC(=O)N[C@H]1CCC[C@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000161139388 463402976 /nfs/dbraw/zinc/40/29/76/463402976.db2.gz XLZYNZFOQZGSTO-HRCADAONSA-N 1 0 337.851 2.293 20 70 EEIDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N(C)CC[C@H](C)O)CC1 ZINC000161240105 463412917 /nfs/dbraw/zinc/41/29/17/463412917.db2.gz GIIIIOSZJSNNPT-LSDHHAIUSA-N 1 0 334.464 2.019 20 70 EEIDRO CC[C@H](C(=O)N1CCN(C(=O)Nc2ccc(C)cc2)CC1)[NH+](C)C ZINC000161313532 463419411 /nfs/dbraw/zinc/41/94/11/463419411.db2.gz HJNTVBIUJFKWEM-MRXNPFEDSA-N 1 0 332.448 2.011 20 70 EEIDRO Cn1c(=O)cccc1C(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000161503986 463434357 /nfs/dbraw/zinc/43/43/57/463434357.db2.gz BEDZQYQMGPQMHS-UHFFFAOYSA-N 1 0 347.846 2.243 20 70 EEIDRO C[C@H]1CCc2sc(C(=O)NC[C@@H](O)C[NH+]3CCCCC3)cc2C1 ZINC000160126430 533787287 /nfs/dbraw/zinc/78/72/87/533787287.db2.gz FCGWPBNNLAGMDY-DZGCQCFKSA-N 1 0 336.501 2.450 20 70 EEIDRO CSc1cc(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)ccc1F ZINC000159361617 534139845 /nfs/dbraw/zinc/13/98/45/534139845.db2.gz FGNRCGRYKWHGJR-CYBMUJFWSA-N 1 0 339.480 2.161 20 70 EEIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(Cl)c2cccnc12 ZINC000160304529 534537607 /nfs/dbraw/zinc/53/76/07/534537607.db2.gz LNRJQCRKZGCVSW-CYBMUJFWSA-N 1 0 347.846 2.465 20 70 EEIDRO CC(C)Oc1cc(CNC(=O)NCCC2CC[NH+](C)CC2)ccn1 ZINC000159771551 528108924 /nfs/dbraw/zinc/10/89/24/528108924.db2.gz MKNDUZBKDHDNRH-UHFFFAOYSA-N 1 0 334.464 2.400 20 70 EEIDRO CCC[C@H]1CN(C(=O)N[C@@H](C)c2cccnc2)CC[N@@H+]1CCOC ZINC000159904591 528395107 /nfs/dbraw/zinc/39/51/07/528395107.db2.gz TUIDWELAJOWPGF-RDJZCZTQSA-N 1 0 334.464 2.285 20 70 EEIDRO CC[N@@H+]1CCCN(C(=O)NC[C@@H]2CCN(c3ccc(F)cc3)C2)CC1 ZINC000159749659 529027014 /nfs/dbraw/zinc/02/70/14/529027014.db2.gz OFHLZDJNEBVDNN-INIZCTEOSA-N 1 0 348.466 2.389 20 70 EEIDRO CCS(=O)(=O)c1ccc(F)c(C(=O)NCC2([NH3+])CCCCC2)c1 ZINC000159579474 529157936 /nfs/dbraw/zinc/15/79/36/529157936.db2.gz XAWLLJMFBCHLFK-UHFFFAOYSA-N 1 0 342.436 2.011 20 70 EEIDRO C[C@H](CNC(=O)c1csc(S(C)(=O)=O)c1)C[NH+]1CCCCC1 ZINC000159491098 225228351 /nfs/dbraw/zinc/22/83/51/225228351.db2.gz AMPXOEZMEFDSFD-GFCCVEGCSA-N 1 0 344.502 2.003 20 70 EEIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC000160366264 225398383 /nfs/dbraw/zinc/39/83/83/225398383.db2.gz SUKWNBPFFCYTHZ-CWRNSKLLSA-N 1 0 338.398 2.031 20 70 EEIDRO Cc1ccc(NC(=O)CN(C)[C@@H](C[NH3+])C2CC2)c(Br)c1 ZINC000160034147 225324652 /nfs/dbraw/zinc/32/46/52/225324652.db2.gz NVGXZKOFQWJSHP-AWEZNQCLSA-N 1 0 340.265 2.365 20 70 EEIDRO Cc1cc(NC(=O)CN(C)[C@H](C[NH3+])C2CC2)ccc1Br ZINC000160056954 225328848 /nfs/dbraw/zinc/32/88/48/225328848.db2.gz YJXCFYOYUHSUDR-CQSZACIVSA-N 1 0 340.265 2.365 20 70 EEIDRO C[C@H](CNC(=O)[C@H](C)Cc1ccccc1F)C[NH+]1CCN(C)CC1 ZINC000160108393 225339073 /nfs/dbraw/zinc/33/90/73/225339073.db2.gz NHJNKSCKBSXSJO-HZPDHXFCSA-N 1 0 335.467 2.004 20 70 EEIDRO CO[C@@H]1CCN(C(=O)c2ccccc2Br)[C@@H](C[NH3+])C1 ZINC000161120796 277654371 /nfs/dbraw/zinc/65/43/71/277654371.db2.gz WSHMKXHMLSOXSF-GHMZBOCLSA-N 1 0 327.222 2.027 20 70 EEIDRO C[C@H](NC(=O)N(CC[NH+](C)C)C1CCCC1)c1nnc2ccccn21 ZINC000159458549 311341341 /nfs/dbraw/zinc/34/13/41/311341341.db2.gz CCPBVXBRZYAKDE-AWEZNQCLSA-N 1 0 344.463 2.306 20 70 EEIDRO CN(CC1CCOCC1)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000159649501 311343757 /nfs/dbraw/zinc/34/37/57/311343757.db2.gz RGCSURSFGXAPOA-UHFFFAOYSA-N 1 0 337.439 2.326 20 70 EEIDRO CCCn1c(C)nnc1CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000160127363 311350418 /nfs/dbraw/zinc/35/04/18/311350418.db2.gz XYEZVLWRIBTUJL-UHFFFAOYSA-N 1 0 335.496 2.073 20 70 EEIDRO CCC[C@](C)(CO)NC(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160180257 311351013 /nfs/dbraw/zinc/35/10/13/311351013.db2.gz HKLJNKCRKALTBR-KVSKMBFKSA-N 1 0 333.476 2.500 20 70 EEIDRO O=C(CCC1CCOCC1)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160447478 311354276 /nfs/dbraw/zinc/35/42/76/311354276.db2.gz CQPUCXVQBFNHDH-ROUUACIJSA-N 1 0 338.492 2.077 20 70 EEIDRO COCC[N@H+](C)CCOc1cccc(CNC(=O)NC2(C)CCC2)c1 ZINC000160648834 311356920 /nfs/dbraw/zinc/35/69/20/311356920.db2.gz TUPXTWTXFUTTCI-UHFFFAOYSA-N 1 0 349.475 2.385 20 70 EEIDRO CN(C[C@@H]1CCC[C@@H]1O)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000161411271 311365627 /nfs/dbraw/zinc/36/56/27/311365627.db2.gz PDRZRKXGHHNYJO-IRXDYDNUSA-N 1 0 325.497 2.445 20 70 EEIDRO C[NH+](C)[C@@H](CNC(=O)N[C@H]1CCO[C@H](C2CC2)C1)Cc1ccccc1 ZINC000159492269 463288791 /nfs/dbraw/zinc/28/87/91/463288791.db2.gz LSCJTXMRBUYUOZ-OTWHNJEPSA-N 1 0 345.487 2.416 20 70 EEIDRO O=C(CCCNC(=O)c1ccco1)NCC[NH2+]C1CCCCCC1 ZINC000159676349 463298473 /nfs/dbraw/zinc/29/84/73/463298473.db2.gz QTIIVCFPAPEWDL-UHFFFAOYSA-N 1 0 335.448 2.218 20 70 EEIDRO CCCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-n2c(C)c[nH]c2=O)cc1 ZINC000159849496 463307877 /nfs/dbraw/zinc/30/78/77/463307877.db2.gz AFKIQJXURWUIOR-HUUCEWRRSA-N 1 0 344.459 2.429 20 70 EEIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccccc1Br ZINC000160498919 463344703 /nfs/dbraw/zinc/34/47/03/463344703.db2.gz ZSFSRJQLOPFVKP-GFCCVEGCSA-N 1 0 341.249 2.026 20 70 EEIDRO CCC([NH3+])(CC)CNC(=O)c1cc(Br)cnc1N(C)C ZINC000160542934 463347926 /nfs/dbraw/zinc/34/79/26/463347926.db2.gz HJSQJHUADFMXSP-UHFFFAOYSA-N 1 0 343.269 2.157 20 70 EEIDRO O=C(NCC1CC[NH+](CCO)CC1)c1cc(Cl)sc1Cl ZINC000160547158 463349783 /nfs/dbraw/zinc/34/97/83/463349783.db2.gz VGIDXVJJCNHTKB-UHFFFAOYSA-N 1 0 337.272 2.489 20 70 EEIDRO Cc1cc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)nc2ccccc12 ZINC000160595318 463353501 /nfs/dbraw/zinc/35/35/01/463353501.db2.gz MWEYVVVZQBAUSV-OAHLLOKOSA-N 1 0 327.428 2.120 20 70 EEIDRO C[NH2+][C@H]1CCN(C(=O)c2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000160751633 463368073 /nfs/dbraw/zinc/36/80/73/463368073.db2.gz JDKJIJCSLJVTJC-ZDUSSCGKSA-N 1 0 349.232 2.069 20 70 EEIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2ncoc2-c2ccc3c(c2)OCCO3)C1 ZINC000160754614 463368200 /nfs/dbraw/zinc/36/82/00/463368200.db2.gz TYBPHBDXWRHNIQ-OLZOCXBDSA-N 1 0 343.383 2.113 20 70 EEIDRO COCCN(Cc1cccnc1)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160836306 463375191 /nfs/dbraw/zinc/37/51/91/463375191.db2.gz PREHZTSVUYKODZ-KRWDZBQOSA-N 1 0 346.475 2.257 20 70 EEIDRO Cn1nccc1C1CCN(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000160908607 463382115 /nfs/dbraw/zinc/38/21/15/463382115.db2.gz RDCKJVAAUBNPMI-INIZCTEOSA-N 1 0 345.491 2.326 20 70 EEIDRO COc1cccc(O[C@@H](C)CNC(=O)C2([NH3+])Cc3ccccc3C2)c1 ZINC000161127916 463402132 /nfs/dbraw/zinc/40/21/32/463402132.db2.gz DNEQKODTMIFGEF-AWEZNQCLSA-N 1 0 340.423 2.075 20 70 EEIDRO C[NH+](C)[C@H](CNC(=O)c1ccnc(OCC(F)(F)F)c1)C1CC1 ZINC000161160762 463405182 /nfs/dbraw/zinc/40/51/82/463405182.db2.gz QVTPUMJKWCJWFI-GFCCVEGCSA-N 1 0 331.338 2.093 20 70 EEIDRO CC[C@H]1COCCN1C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000161211545 463410462 /nfs/dbraw/zinc/41/04/62/463410462.db2.gz IRIGROBHNFXNFN-QAPCUYQASA-N 1 0 346.475 2.427 20 70 EEIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2ccc(OCC(F)(F)C(F)F)nc2)C1 ZINC000161284309 463416259 /nfs/dbraw/zinc/41/62/59/463416259.db2.gz NDGLTBZGQXGUIC-WDEREUQCSA-N 1 0 349.328 2.361 20 70 EEIDRO COc1ccc(Br)c(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000161390223 463427447 /nfs/dbraw/zinc/42/74/47/463427447.db2.gz DSIFKKJPEVAWAK-NXEZZACHSA-N 1 0 327.222 2.457 20 70 EEIDRO C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000161418849 463429526 /nfs/dbraw/zinc/42/95/26/463429526.db2.gz DDRIBYJZUFATNB-YOEHRIQHSA-N 1 0 339.443 2.221 20 70 EEIDRO CC(C)[C@H](NC(=O)N1CCC([N@H+](C)CCO)CC1)c1ccccc1 ZINC000161490705 463434494 /nfs/dbraw/zinc/43/44/94/463434494.db2.gz BMCFVCDCELGRTI-SFHVURJKSA-N 1 0 333.476 2.482 20 70 EEIDRO COc1ccc(Cl)cc1NC(=O)C[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000159841840 533871980 /nfs/dbraw/zinc/87/19/80/533871980.db2.gz FXTPPGLYMNRLFO-RISCZKNCSA-N 1 0 326.824 2.380 20 70 EEIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(F)cc1OC(F)F ZINC000160060566 534539050 /nfs/dbraw/zinc/53/90/50/534539050.db2.gz JLCYDWVQIFILIO-GFCCVEGCSA-N 1 0 346.349 2.004 20 70 EEIDRO CC(C)[NH+](CCSCC(=O)NC(=O)NCc1ccco1)C(C)C ZINC000160935119 528912273 /nfs/dbraw/zinc/91/22/73/528912273.db2.gz MLRWTVYDLQDDND-UHFFFAOYSA-N 1 0 341.477 2.457 20 70 EEIDRO CCC[C@@H]1CN(C(=O)NC[C@@H]2Cc3ccccc32)CC[N@@H+]1CCOC ZINC000160826678 539523792 /nfs/dbraw/zinc/52/37/92/539523792.db2.gz RWNPWELABOBCRL-ZWKOTPCHSA-N 1 0 345.487 2.469 20 70 EEIDRO [NH3+]C1(CNC(=O)[C@@H]2CCN(c3cccc(Cl)c3)C2=O)CCCCC1 ZINC000159591044 143800187 /nfs/dbraw/zinc/80/01/87/143800187.db2.gz IYRSYKIQELICEG-HNNXBMFYSA-N 1 0 349.862 2.471 20 70 EEIDRO [NH3+]C[C@H]1CCCN1C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000160158575 225350089 /nfs/dbraw/zinc/35/00/89/225350089.db2.gz LVCZFZAXKZZBFO-QGZVFWFLSA-N 1 0 347.422 2.498 20 70 EEIDRO CC[C@@H]([NH2+][C@@H]1CCc2nc(C)nn2C1)c1ccc2c(c1)OCCO2 ZINC000160395064 276439959 /nfs/dbraw/zinc/43/99/59/276439959.db2.gz KYPITUSNJOMLMX-HUUCEWRRSA-N 1 0 328.416 2.413 20 70 EEIDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C[C@H]2CCCC(C)(C)C2)CC1 ZINC000159803839 311346716 /nfs/dbraw/zinc/34/67/16/311346716.db2.gz LSOLSRRZICDMFL-IAGOWNOFSA-N 1 0 349.519 2.358 20 70 EEIDRO CC1CCC([NH+]2CCN(C(=O)C[N@H+](C)[C@@H]3CCSC3)CC2)CC1 ZINC000160008264 311348955 /nfs/dbraw/zinc/34/89/55/311348955.db2.gz FJSHEFZQIJOBSH-OFLPRAFFSA-N 1 0 339.549 2.147 20 70 EEIDRO C[N@H+](CCCNC(=O)CCC(=O)NC1CCCC1)Cc1ccccc1 ZINC000160404922 311353789 /nfs/dbraw/zinc/35/37/89/311353789.db2.gz BURHDVUOFAATGV-UHFFFAOYSA-N 1 0 345.487 2.464 20 70 EEIDRO CC[NH+](CC)CCNC(=O)NCCNc1ccc2ccccc2n1 ZINC000161155425 311362871 /nfs/dbraw/zinc/36/28/71/311362871.db2.gz ZYPONSCWLWZVAU-UHFFFAOYSA-N 1 0 329.448 2.288 20 70 EEIDRO NC(=O)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000159625316 463295901 /nfs/dbraw/zinc/29/59/01/463295901.db2.gz QEOVHEAJHQJPKY-ZFWWWQNUSA-N 1 0 347.484 2.467 20 70 EEIDRO COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCc3nc(C)nn3C1)CCCO2 ZINC000160324418 463329090 /nfs/dbraw/zinc/32/90/90/463329090.db2.gz BNSCDABFSRMIDA-CJNGLKHVSA-N 1 0 328.416 2.413 20 70 EEIDRO C[C@@H](Cc1cccc(Cl)c1)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160426815 463336860 /nfs/dbraw/zinc/33/68/60/463336860.db2.gz QKSMHXVOQKGTCV-WMLDXEAASA-N 1 0 338.879 2.482 20 70 EEIDRO CC(C)COc1ccc(CC(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000160489250 463342704 /nfs/dbraw/zinc/34/27/04/463342704.db2.gz NBIBZPMKVQGUPP-GOSISDBHSA-N 1 0 348.487 2.227 20 70 EEIDRO Cc1ccc(C)c(SCC(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000160484887 463343260 /nfs/dbraw/zinc/34/32/60/463343260.db2.gz SBQZPCSOEWDXPR-MRXNPFEDSA-N 1 0 336.501 2.359 20 70 EEIDRO C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN(C(=O)Nc3cccc(C)c3)C2)C1 ZINC000160570330 463350711 /nfs/dbraw/zinc/35/07/11/463350711.db2.gz HXUKSAWNRGEBBC-DOTOQJQBSA-N 1 0 344.459 2.059 20 70 EEIDRO O=C(Cc1ccc(F)cc1)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160598519 463353551 /nfs/dbraw/zinc/35/35/51/463353551.db2.gz TVDNIRNZQGQDIA-ROUUACIJSA-N 1 0 334.435 2.252 20 70 EEIDRO O=C(NCC1CC[NH+](CCO)CC1)[C@@H]1C[C@H]1c1ccccc1Cl ZINC000160618376 463356042 /nfs/dbraw/zinc/35/60/42/463356042.db2.gz IROWKGKHDNYVJG-JKSUJKDBSA-N 1 0 336.863 2.264 20 70 EEIDRO C[NH2+][C@@H]1CCN(C(=O)c2cccc(NC(=O)c3cccs3)c2)C1 ZINC000160750126 463367253 /nfs/dbraw/zinc/36/72/53/463367253.db2.gz XLZHUIAGENDXSM-CQSZACIVSA-N 1 0 329.425 2.434 20 70 EEIDRO Cc1noc([C@@H]2CCCN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)n1 ZINC000160759292 463368012 /nfs/dbraw/zinc/36/80/12/463368012.db2.gz GBVKPLSPCGBWEU-MRXNPFEDSA-N 1 0 328.416 2.459 20 70 EEIDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000160776417 463369324 /nfs/dbraw/zinc/36/93/24/463369324.db2.gz IZEZGRIZWSENMP-NSHDSACASA-N 1 0 333.358 2.441 20 70 EEIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2nn(-c3ccccc3F)c3c2CCC3)C1 ZINC000160867562 463377802 /nfs/dbraw/zinc/37/78/02/463377802.db2.gz QVZFCSJAZGMYSG-STQMWFEESA-N 1 0 342.418 2.500 20 70 EEIDRO CSCC[C@H]([NH3+])C(=O)N1CCc2cccc(Br)c2C1 ZINC000160916683 463381943 /nfs/dbraw/zinc/38/19/43/463381943.db2.gz FQYGVGZPLQDMRD-ZDUSSCGKSA-N 1 0 343.290 2.414 20 70 EEIDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)cc1C ZINC000160982204 463388181 /nfs/dbraw/zinc/38/81/81/463388181.db2.gz RWPVVCFTKYHQFN-HNNXBMFYSA-N 1 0 339.439 2.369 20 70 EEIDRO COc1cccc(OCCC[NH2+][C@@H](C(N)=O)c2ccc(F)cc2)c1 ZINC000160991446 463389573 /nfs/dbraw/zinc/38/95/73/463389573.db2.gz HHKRTCNUHCJGIL-QGZVFWFLSA-N 1 0 332.375 2.419 20 70 EEIDRO CC[NH2+]CC1CCN(C(=O)[C@H]2CCCN(C(=O)[C@@H](C)CC)C2)CC1 ZINC000161025525 463392173 /nfs/dbraw/zinc/39/21/73/463392173.db2.gz ZEUBFMUSJXUXNU-RDJZCZTQSA-N 1 0 337.508 2.119 20 70 EEIDRO CC[NH+](CC)CCCNC(=O)N[C@@H](C)c1ccc(NC(N)=O)cc1 ZINC000161032956 463393436 /nfs/dbraw/zinc/39/34/36/463393436.db2.gz OLPSEFUWEIITPS-ZDUSSCGKSA-N 1 0 335.452 2.269 20 70 EEIDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)cc1 ZINC000161033497 463393496 /nfs/dbraw/zinc/39/34/96/463393496.db2.gz SCRTZFSKVBIYPK-AWEZNQCLSA-N 1 0 325.412 2.061 20 70 EEIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)CCCNC(=O)c2ccc(Cl)cc2)C1 ZINC000161170725 463406386 /nfs/dbraw/zinc/40/63/86/463406386.db2.gz SOMUJIDVTISQKK-HUUCEWRRSA-N 1 0 337.851 2.236 20 70 EEIDRO COc1cccc(-c2cc(C(=O)N3CC[C@H]([NH+]4CCCC4)C3)[nH]n2)c1 ZINC000161334477 463421884 /nfs/dbraw/zinc/42/18/84/463421884.db2.gz NQCUZFWQUWCKHP-HNNXBMFYSA-N 1 0 340.427 2.396 20 70 EEIDRO CC(=O)NC1CCC([NH2+]Cc2cccc(CN3CCCC3=O)c2)CC1 ZINC000161428749 463429917 /nfs/dbraw/zinc/42/99/17/463429917.db2.gz BJERLHQOAOCTNP-UHFFFAOYSA-N 1 0 343.471 2.346 20 70 EEIDRO CCn1cc([C@@H](C)[NH2+][C@@H](C)c2cccc(S(=O)(=O)NC)c2)cn1 ZINC000161457460 463431910 /nfs/dbraw/zinc/43/19/10/463431910.db2.gz RKZHJXSUOYJGNR-QWHCGFSZSA-N 1 0 336.461 2.223 20 70 EEIDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)CNC(=O)CC1CCCC1 ZINC000161501574 463434827 /nfs/dbraw/zinc/43/48/27/463434827.db2.gz KTZZMJLTZYTUMM-UHFFFAOYSA-N 1 0 345.487 2.273 20 70 EEIDRO C[C@@H](O)C[C@H](C)CNC(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160006673 533754312 /nfs/dbraw/zinc/75/43/12/533754312.db2.gz PUEOYANCANSKMO-CUSZFKRNSA-N 1 0 333.476 2.356 20 70 EEIDRO CCN(CC(C)(C)O)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000160003562 527950963 /nfs/dbraw/zinc/95/09/63/527950963.db2.gz FFFVOBGJDHNUSS-DOTOQJQBSA-N 1 0 333.476 2.309 20 70 EEIDRO C[N@@H+]1CCC[C@@H]1CNC(=O)CCSc1ccc2c(c1)OCCO2 ZINC000160132164 530057176 /nfs/dbraw/zinc/05/71/76/530057176.db2.gz RKWMAGVXGGTCQD-CYBMUJFWSA-N 1 0 336.457 2.150 20 70 EEIDRO COC1(C(=O)NC[C@H]2CCCO[C@@H]2c2ccc(C)cc2)CC[NH2+]CC1 ZINC000159535895 532971005 /nfs/dbraw/zinc/97/10/05/532971005.db2.gz ZLTKSEGMSQQACM-QZTJIDSGSA-N 1 0 346.471 2.348 20 70 EEIDRO Cc1ccc(Br)cc1S(=O)(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000159913743 143804763 /nfs/dbraw/zinc/80/47/63/143804763.db2.gz KTRIMQVIDDQSJT-GFCCVEGCSA-N 1 0 347.278 2.115 20 70 EEIDRO CC(C)OC(=O)CCCNC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000159917322 143804984 /nfs/dbraw/zinc/80/49/84/143804984.db2.gz PASRMVGZIIWOJD-UHFFFAOYSA-N 1 0 327.469 2.139 20 70 EEIDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2cccc3c2oc(=O)n3C)C1 ZINC000159484163 225225913 /nfs/dbraw/zinc/22/59/13/225225913.db2.gz IDMOHQWMOJORHW-KBPBESRZSA-N 1 0 345.443 2.229 20 70 EEIDRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)CCCn1cccc1 ZINC000159620785 225249662 /nfs/dbraw/zinc/24/96/62/225249662.db2.gz LLOYOZLAUCBIQM-UHFFFAOYSA-N 1 0 328.416 2.068 20 70 EEIDRO COc1ccc(S(=O)(=O)N[C@H](C[NH3+])C2CCCCC2)cc1F ZINC000160158609 225349290 /nfs/dbraw/zinc/34/92/90/225349290.db2.gz RGYAVHXECUUZSE-CQSZACIVSA-N 1 0 330.425 2.020 20 70 EEIDRO CC[NH+]1CCC(NC(=O)c2ccc(Br)c(O)c2)CC1 ZINC000159490176 311342098 /nfs/dbraw/zinc/34/20/98/311342098.db2.gz SJMMYNAYRGQFML-UHFFFAOYSA-N 1 0 327.222 2.369 20 70 EEIDRO Cc1cccc(-n2cc(C(=O)NC[C@@H](C)C[NH+]3CCCC3)nn2)c1 ZINC000160611186 311356649 /nfs/dbraw/zinc/35/66/49/311356649.db2.gz WRONQJSBKRSZRD-OAHLLOKOSA-N 1 0 327.432 2.037 20 70 EEIDRO CCN(C(=O)NCc1cnn(C)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000159577771 463294021 /nfs/dbraw/zinc/29/40/21/463294021.db2.gz MOWYFJGPPGCQPE-SFHVURJKSA-N 1 0 341.459 2.226 20 70 EEIDRO C[N@@H+](CC(=O)N1CCc2[nH]c3ccccc3c2C1)C[C@H]1CCC[C@@H]1O ZINC000159735229 463302630 /nfs/dbraw/zinc/30/26/30/463302630.db2.gz GSGNKCQYIZSPCB-KUHUBIRLSA-N 1 0 341.455 2.145 20 70 EEIDRO O=C(c1cccs1)N1CCCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159781013 463305716 /nfs/dbraw/zinc/30/57/16/463305716.db2.gz DTRNIYJSADIHKB-ZNMIVQPWSA-N 1 0 347.484 2.096 20 70 EEIDRO COCCC[N@H+](C)CCNC(=O)COc1ccc2c(c1)CCCC2 ZINC000160008690 463314681 /nfs/dbraw/zinc/31/46/81/463314681.db2.gz LKKSGMBZMQEMNL-UHFFFAOYSA-N 1 0 334.460 2.029 20 70 EEIDRO O=C(Cc1cccc2ccccc21)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160602749 463354220 /nfs/dbraw/zinc/35/42/20/463354220.db2.gz UJZZUXFZUGRGOA-GOSISDBHSA-N 1 0 326.440 2.345 20 70 EEIDRO C[C@H](CNS(=O)(=O)Cc1c(F)cccc1F)C[NH+]1CCCC1 ZINC000160900682 463381084 /nfs/dbraw/zinc/38/10/84/463381084.db2.gz UNZAJKVLXKEKNS-GFCCVEGCSA-N 1 0 332.416 2.116 20 70 EEIDRO O=C(CCC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)NC1CCCC1 ZINC000160915472 463381257 /nfs/dbraw/zinc/38/12/57/463381257.db2.gz XXMUIHWMDQLFKE-CRAIPNDOSA-N 1 0 347.503 2.301 20 70 EEIDRO CSCC[C@H]([NH3+])C(=O)Nc1ccc(CN(C(C)=O)C(C)C)cc1 ZINC000160956235 463385056 /nfs/dbraw/zinc/38/50/56/463385056.db2.gz MNMTXYXLGWFENF-INIZCTEOSA-N 1 0 337.489 2.462 20 70 EEIDRO CCC[NH+]1CCC(N(C)C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000160962244 463386314 /nfs/dbraw/zinc/38/63/14/463386314.db2.gz UWHUSMZOFNHFNC-ZACQAIPSSA-N 1 0 335.492 2.460 20 70 EEIDRO COC(=O)c1csc(NC(=O)N2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000160983561 463388429 /nfs/dbraw/zinc/38/84/29/463388429.db2.gz VGPNKRQJPBUFHW-UHFFFAOYSA-N 1 0 346.412 2.284 20 70 EEIDRO CC(=O)NC1CCC([NH2+]Cc2cccc(CN3CCOCC3)c2)CC1 ZINC000161024192 463392383 /nfs/dbraw/zinc/39/23/83/463392383.db2.gz ORSRWUGHWCBGJM-UHFFFAOYSA-N 1 0 345.487 2.056 20 70 EEIDRO COCCc1ccc(OCCCC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000161256724 463413853 /nfs/dbraw/zinc/41/38/53/463413853.db2.gz IQSOTKQFGYJCTA-IAGOWNOFSA-N 1 0 334.460 2.421 20 70 EEIDRO CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)[C@H](CC)[NH+](C)C)c1 ZINC000161382921 463426159 /nfs/dbraw/zinc/42/61/59/463426159.db2.gz CMTPKBFAZHWVHU-DOMZBBRYSA-N 1 0 341.477 2.042 20 70 EEIDRO CC[NH+](CC)CCNC(=O)NC[C@](C)(O)c1ccccc1Cl ZINC000159457725 528131933 /nfs/dbraw/zinc/13/19/33/528131933.db2.gz QYFNNDQVFYQAFD-INIZCTEOSA-N 1 0 327.856 2.189 20 70 EEIDRO CC(C)N(CC[NH+](C)C)C(=O)NCc1cccc2c1OCCCO2 ZINC000159785429 528896030 /nfs/dbraw/zinc/89/60/30/528896030.db2.gz GKJTZCGJRSZSHK-UHFFFAOYSA-N 1 0 335.448 2.330 20 70 EEIDRO C[N@@H+](CC(=O)Nc1ccccc1OC(F)F)C[C@H]1CCC[C@@H]1O ZINC000159599734 529839160 /nfs/dbraw/zinc/83/91/60/529839160.db2.gz DUTFYLDLZWVEPQ-YPMHNXCESA-N 1 0 328.359 2.319 20 70 EEIDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H](C)C2CCOCC2)c1 ZINC000161502695 530036262 /nfs/dbraw/zinc/03/62/62/530036262.db2.gz XOIGYIVLTJTOOO-CHWSQXEVSA-N 1 0 326.462 2.060 20 70 EEIDRO O=C(Nc1ccn(CC(F)(F)F)n1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000160553869 539522140 /nfs/dbraw/zinc/52/21/40/539522140.db2.gz HSCPAPRQZGULQV-NSHDSACASA-N 1 0 331.342 2.051 20 70 EEIDRO C[C@@H](C(=O)Nc1ccccc1Br)[N@H+](C)C[C@H](O)C1CC1 ZINC000160839055 539524105 /nfs/dbraw/zinc/52/41/05/539524105.db2.gz PMIHVQOLNPQUON-HZMBPMFUSA-N 1 0 341.249 2.479 20 70 EEIDRO CC(C)Cn1ncc2cc(C(=O)NCC3([NH3+])CCCCC3)cnc21 ZINC000159496262 255795914 /nfs/dbraw/zinc/79/59/14/255795914.db2.gz NNGJAUJRUKKEDS-UHFFFAOYSA-N 1 0 329.448 2.479 20 70 EEIDRO CC(C)CC(=O)NCCC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000160629152 159713628 /nfs/dbraw/zinc/71/36/28/159713628.db2.gz XOBMHJHSRAIDOQ-INIZCTEOSA-N 1 0 325.497 2.310 20 70 EEIDRO COc1ccc([C@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)c(OC)c1 ZINC000160258139 225374089 /nfs/dbraw/zinc/37/40/89/225374089.db2.gz MXMGENVSAGHASX-HNNXBMFYSA-N 1 0 335.492 2.380 20 70 EEIDRO Cn1c2cc(C(=O)N3CC[NH+](CCC(C)(C)C)CC3)ccc2[nH]c1=O ZINC000160273143 225377301 /nfs/dbraw/zinc/37/73/01/225377301.db2.gz IZTJCKHJIQZRBZ-UHFFFAOYSA-N 1 0 344.459 2.061 20 70 EEIDRO O=C(Cc1ccc(C(F)(F)F)cc1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160172372 225352966 /nfs/dbraw/zinc/35/29/66/225352966.db2.gz QXVTWXMOXMTTTO-OAHLLOKOSA-N 1 0 344.377 2.211 20 70 EEIDRO CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)NCC1([NH3+])CCCCC1 ZINC000159555295 277914718 /nfs/dbraw/zinc/91/47/18/277914718.db2.gz MJAAFTOLPUIXMI-INIZCTEOSA-N 1 0 349.450 2.358 20 70 EEIDRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]CCOC[C@H]2CCCO2)cc1 ZINC000159542983 311342446 /nfs/dbraw/zinc/34/24/46/311342446.db2.gz MZQTULFSUBTMOG-GDBMZVCRSA-N 1 0 341.473 2.326 20 70 EEIDRO Cc1n[nH]c(C)c1[C@H](C)CC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000159534420 311342569 /nfs/dbraw/zinc/34/25/69/311342569.db2.gz JNRAKRPZQCTZCZ-MCIONIFRSA-N 1 0 336.480 2.136 20 70 EEIDRO CCCC[C@H](C[NH3+])NS(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000159790670 311346162 /nfs/dbraw/zinc/34/61/62/311346162.db2.gz DPNYUSXLLMKBAH-SNVBAGLBSA-N 1 0 340.367 2.381 20 70 EEIDRO Cc1nn(C)cc1C[NH2+][C@H](C)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000160272078 311352246 /nfs/dbraw/zinc/35/22/46/311352246.db2.gz AGKSXYRBOXWKLP-CYBMUJFWSA-N 1 0 342.443 2.237 20 70 EEIDRO CCc1nn(C)c(CC)c1CNC(=O)NC[C@@H](C(C)C)[NH+]1CCCC1 ZINC000160817249 311358674 /nfs/dbraw/zinc/35/86/74/311358674.db2.gz LADYGYWHUFGSPZ-SFHVURJKSA-N 1 0 349.523 2.465 20 70 EEIDRO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]21)NCCOc1ccc2c(c1)OCO2 ZINC000159720006 463301514 /nfs/dbraw/zinc/30/15/14/463301514.db2.gz QUKWOJAUYGCSBO-HOCLYGCPSA-N 1 0 346.427 2.175 20 70 EEIDRO C[C@]1(O)CCCN(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000160322873 463329115 /nfs/dbraw/zinc/32/91/15/463329115.db2.gz FLFVFYGSDQYMGJ-MJGOQNOKSA-N 1 0 331.460 2.380 20 70 EEIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccc(Cl)o1 ZINC000160432310 463338893 /nfs/dbraw/zinc/33/88/93/463338893.db2.gz RIKSURAUZSAKON-QWHCGFSZSA-N 1 0 326.824 2.431 20 70 EEIDRO O=C(NCC1CC[NH+](CCO)CC1)c1cnc(-c2ccccc2)s1 ZINC000160543174 463348204 /nfs/dbraw/zinc/34/82/04/463348204.db2.gz KFCHGNVSMXDOKH-UHFFFAOYSA-N 1 0 345.468 2.244 20 70 EEIDRO O=C(Cc1ccc(F)cc1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160598633 463353947 /nfs/dbraw/zinc/35/39/47/463353947.db2.gz TVDNIRNZQGQDIA-QZTJIDSGSA-N 1 0 334.435 2.252 20 70 EEIDRO C[NH2+][C@@H]1CCN(C(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)C1 ZINC000160620886 463356011 /nfs/dbraw/zinc/35/60/11/463356011.db2.gz CPCXINQIAFOSFT-DAWZGUTISA-N 1 0 349.519 2.452 20 70 EEIDRO CC[C@@H](O)CCNC(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000160730305 463365825 /nfs/dbraw/zinc/36/58/25/463365825.db2.gz AAISQXCJLFXRRU-WBVHZDCISA-N 1 0 349.475 2.292 20 70 EEIDRO CC(C)N(C[C@@H](C)O)C(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000160844116 463376330 /nfs/dbraw/zinc/37/63/30/463376330.db2.gz FXBPJZMILYSBOR-JKSUJKDBSA-N 1 0 333.476 2.234 20 70 EEIDRO C[C@H](CNC(=O)NOCc1cccnc1)[N@@H+]1CCc2ccccc2C1 ZINC000161095844 463399065 /nfs/dbraw/zinc/39/90/65/463399065.db2.gz CVPCZWDPYZTNOZ-OAHLLOKOSA-N 1 0 340.427 2.259 20 70 EEIDRO Cc1c(NC(=O)C(=O)NC2CC[NH+](C)CC2)cccc1C(F)(F)F ZINC000161102959 463400312 /nfs/dbraw/zinc/40/03/12/463400312.db2.gz IWYYXJZIBSHHJG-UHFFFAOYSA-N 1 0 343.349 2.163 20 70 EEIDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C[C@H]2COC(=O)C2)CC1 ZINC000161175960 463406260 /nfs/dbraw/zinc/40/62/60/463406260.db2.gz XUFIAMWTAMXVNT-NVXWUHKLSA-N 1 0 336.476 2.443 20 70 EEIDRO CCC(CC)(C[NH3+])C(=O)NCc1ccc(-n2nc(C)cc2C)nc1 ZINC000161267987 463414816 /nfs/dbraw/zinc/41/48/16/463414816.db2.gz VYZKFVXYBCVKRQ-UHFFFAOYSA-N 1 0 329.448 2.265 20 70 EEIDRO Cc1c(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)nnn1-c1cccc(Cl)c1 ZINC000161292774 463417223 /nfs/dbraw/zinc/41/72/23/463417223.db2.gz RCXGWAAUVKCYOQ-STQMWFEESA-N 1 0 333.823 2.229 20 70 EEIDRO CCC(=O)N[C@H](C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C)c1ccccc1 ZINC000161349695 463424441 /nfs/dbraw/zinc/42/44/41/463424441.db2.gz WPMRVJZKNAASRH-LESCRADOSA-N 1 0 331.460 2.099 20 70 EEIDRO CC[C@@H]1Oc2cc([C@@H](C)NC(=O)[C@@H]([NH3+])C(C)(C)C)ccc2NC1=O ZINC000161375965 463426657 /nfs/dbraw/zinc/42/66/57/463426657.db2.gz QGYCFMHOARNEOQ-RIEGTJTDSA-N 1 0 333.432 2.347 20 70 EEIDRO COc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)c(C)c1 ZINC000159470569 534044921 /nfs/dbraw/zinc/04/49/21/534044921.db2.gz UXEWTGFPKGLTKX-HNNXBMFYSA-N 1 0 347.459 2.036 20 70 EEIDRO O=C(CSc1ccc(Cl)cc1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160256520 534670393 /nfs/dbraw/zinc/67/03/93/534670393.db2.gz FRRZHSUHAXPSIR-CQSZACIVSA-N 1 0 342.892 2.395 20 70 EEIDRO Cc1conc1NC(=O)C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000160657961 534754686 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CCN(CC(C)(C)O)C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000161172941 463406205 /nfs/dbraw/zinc/40/62/05/463406205.db2.gz NASYPEUGDYXENK-OAHLLOKOSA-N 1 0 348.491 2.409 20 70 EEIDRO C[C@@]1(C(=O)NCCc2cc(Cl)c3c(c2)OCCO3)CCC[NH2+]C1 ZINC000161319495 463419555 /nfs/dbraw/zinc/41/95/55/463419555.db2.gz XHNYENQQTUELTQ-QGZVFWFLSA-N 1 0 338.835 2.160 20 70 EEIDRO C[C@]1(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)CCC[NH2+]C1 ZINC000161332820 463422135 /nfs/dbraw/zinc/42/21/35/463422135.db2.gz BXELYCMHTIBFHD-SFHVURJKSA-N 1 0 349.862 2.014 20 70 EEIDRO Cc1cc(C)cc(C[C@@H](C)NC(=O)c2cn(C3CC[NH2+]CC3)nn2)c1 ZINC000161346097 463423601 /nfs/dbraw/zinc/42/36/01/463423601.db2.gz QGOMRUWPTGAUMH-OAHLLOKOSA-N 1 0 341.459 2.180 20 70 EEIDRO O=C(N[C@@H]1CCN(c2ccccn2)C1)c1ccc2nsnc2c1 ZINC000218082091 464109375 /nfs/dbraw/zinc/10/93/75/464109375.db2.gz RYVNWUNSEHAYOR-GFCCVEGCSA-N 1 0 325.397 2.095 20 70 EEIDRO Cc1cc(C(=O)N2CCC([NH2+]CC3CC3)CC2)ccc1-n1cncn1 ZINC000159882869 534041103 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PDRZRKXGHHNYJO-IAGOWNOFSA-N 1 0 325.497 2.445 20 70 EEIDRO NC(=O)[C@@H]1CCCN1C1CC[NH+](CCSc2ccccc2)CC1 ZINC000159401829 463284930 /nfs/dbraw/zinc/28/49/30/463284930.db2.gz HIBQUQONBFAKGA-KRWDZBQOSA-N 1 0 333.501 2.193 20 70 EEIDRO Cc1cc(C)cc(OCCC(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000160396426 463334298 /nfs/dbraw/zinc/33/42/98/463334298.db2.gz XDCUTUMYCYBLAU-QGZVFWFLSA-N 1 0 334.460 2.035 20 70 EEIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)C1(c2ccccc2)CCCC1 ZINC000160475551 463341901 /nfs/dbraw/zinc/34/19/01/463341901.db2.gz KROHVCRWIZPHOK-GOSISDBHSA-N 1 0 330.472 2.461 20 70 EEIDRO Cc1sc(-c2ccco2)nc1C(=O)NCC1CC[NH+](CCO)CC1 ZINC000160620692 463355890 /nfs/dbraw/zinc/35/58/90/463355890.db2.gz VPNIBAMPNOMDNF-UHFFFAOYSA-N 1 0 349.456 2.146 20 70 EEIDRO C[C@H](CCOc1ccccc1)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160629956 463357270 /nfs/dbraw/zinc/35/72/70/463357270.db2.gz DPPWFWRVTAKMOH-IAGOWNOFSA-N 1 0 334.460 2.055 20 70 EEIDRO C[NH2+][C@@H]1CCN(C(=O)c2ccc(COc3ccccc3OC)o2)C1 ZINC000160659038 463360483 /nfs/dbraw/zinc/36/04/83/463360483.db2.gz LHRLETRGNCGCOA-CYBMUJFWSA-N 1 0 330.384 2.301 20 70 EEIDRO COCCN(Cc1ccco1)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160904861 463380306 /nfs/dbraw/zinc/38/03/06/463380306.db2.gz KKDCTGUJUJSURZ-OAHLLOKOSA-N 1 0 335.448 2.455 20 70 EEIDRO C[NH+](C)CCC1CCN(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000160896353 463381009 /nfs/dbraw/zinc/38/10/09/463381009.db2.gz PRPJFCAVZZNULP-BBWFWOEESA-N 1 0 335.492 2.317 20 70 EEIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2ccc(I)cc2)C1 ZINC000160966035 463386508 /nfs/dbraw/zinc/38/65/08/463386508.db2.gz ZXTGAGWDWNJLFB-NEPJUHHUSA-N 1 0 344.196 2.291 20 70 EEIDRO CCN(CC(=O)Nc1c(C)cccc1C)C(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1[NH3+] ZINC000161058263 463396312 /nfs/dbraw/zinc/39/63/12/463396312.db2.gz ZLNUQYYHMBPDJF-ATLSCFEFSA-N 1 0 343.471 2.464 20 70 EEIDRO O=C(N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)N1CCC(n2ccnc2)CC1 ZINC000161073732 463396990 /nfs/dbraw/zinc/39/69/90/463396990.db2.gz DTCVVAPDTVNFEL-OAGGEKHMSA-N 1 0 330.432 2.187 20 70 EEIDRO Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000161121120 463401896 /nfs/dbraw/zinc/40/18/96/463401896.db2.gz UPEWNBQIZKITEH-CABCVRRESA-N 1 0 340.427 2.058 20 70 EEIDRO [NH3+][C@H]1CCC[C@H](NC(=O)COc2ccccc2OCC(F)(F)F)C1 ZINC000161282142 463415801 /nfs/dbraw/zinc/41/58/01/463415801.db2.gz JKIVGCRALQBHTQ-RYUDHWBXSA-N 1 0 346.349 2.393 20 70 EEIDRO CC(C)c1n[nH]c(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c1Br ZINC000161298781 463417477 /nfs/dbraw/zinc/41/74/77/463417477.db2.gz YALIAGUJBWPFQJ-BDAKNGLRSA-N 1 0 329.242 2.295 20 70 EEIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(OCc2ccccn2)cc1 ZINC000161316088 463419850 /nfs/dbraw/zinc/41/98/50/463419850.db2.gz MWAKFELOOFVSOQ-KRWDZBQOSA-N 1 0 325.412 2.485 20 70 EEIDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H](C)CC(C)(C)OC)c1 ZINC000161442060 463431206 /nfs/dbraw/zinc/43/12/06/463431206.db2.gz ODSYJVQKTIWHOD-QWHCGFSZSA-N 1 0 328.478 2.449 20 70 EEIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2ccc(-c3n[nH]c(C4CC4)n3)cc2)C1 ZINC000161445729 463431301 /nfs/dbraw/zinc/43/13/01/463431301.db2.gz POJOUEXDKLRGJV-CABCVRRESA-N 1 0 325.416 2.349 20 70 EEIDRO CC[NH+]1CCN(CCCNC(=O)[C@H]2C[C@H]2c2sccc2C)CC1 ZINC000161499090 463434255 /nfs/dbraw/zinc/43/42/55/463434255.db2.gz JWIBICNTVLSSHK-CVEARBPZSA-N 1 0 335.517 2.304 20 70 EEIDRO CC[NH2+]CC1CCN(C(=O)c2ccn(-c3ccccc3F)n2)CC1 ZINC000161000896 528288303 /nfs/dbraw/zinc/28/83/03/528288303.db2.gz AWKNVPOJVVDBQK-UHFFFAOYSA-N 1 0 330.407 2.473 20 70 EEIDRO CC[C@H](C(=O)NCCC(=O)Nc1cccc(Cl)c1C)[NH+](C)C ZINC000159663351 529605345 /nfs/dbraw/zinc/60/53/45/529605345.db2.gz NSVYRLKAPFRCAB-CQSZACIVSA-N 1 0 325.840 2.433 20 70 EEIDRO CCc1ccc([C@H](CNC(=O)N2CCC[C@@](C)(O)C2)[NH+](C)C)cc1 ZINC000159865873 529723512 /nfs/dbraw/zinc/72/35/12/529723512.db2.gz ZRGMWKFTEJCZAX-PKOBYXMFSA-N 1 0 333.476 2.408 20 70 EEIDRO Cn1cc(N2CC[C@@H]([NH2+][C@@H]3CCCc4cc(F)ccc43)C2=O)cn1 ZINC000159547827 282653395 /nfs/dbraw/zinc/65/33/95/282653395.db2.gz IJCJJKUZNUPXEA-IAGOWNOFSA-N 1 0 328.391 2.332 20 70 EEIDRO COc1ccc(S(=O)(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000160166031 533047134 /nfs/dbraw/zinc/04/71/34/533047134.db2.gz ANLZWZHRTJFYAS-HNNXBMFYSA-N 1 0 338.473 2.334 20 70 EEIDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NCC1(CCO)CCC1 ZINC000160939803 255801342 /nfs/dbraw/zinc/80/13/42/255801342.db2.gz JRXCOCXJSSPWID-MRXNPFEDSA-N 1 0 325.497 2.349 20 70 EEIDRO COc1ccc(C)cc1NC(=O)C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000159413380 533394331 /nfs/dbraw/zinc/39/43/31/533394331.db2.gz FGYOYGSTOSSDCW-OAHLLOKOSA-N 1 0 347.459 2.036 20 70 EEIDRO Cc1cc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)ccc1F ZINC000159402345 143798228 /nfs/dbraw/zinc/79/82/28/143798228.db2.gz YLQGWRFVFXAXRR-AWEZNQCLSA-N 1 0 335.423 2.167 20 70 EEIDRO CC(C)OC(=O)CCCNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160100256 143807603 /nfs/dbraw/zinc/80/76/03/143807603.db2.gz ZBYQLQAGQCDASA-MRXNPFEDSA-N 1 0 339.480 2.378 20 70 EEIDRO [NH3+][C@@H]1CCC[C@@H](C(=O)N2CCN(Cc3ccc(Cl)cc3)C(=O)C2)C1 ZINC000159674982 225257655 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CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cc(C(=O)OC)cs2)C1 ZINC000161136324 311362925 /nfs/dbraw/zinc/36/29/25/311362925.db2.gz BXFNLESVCKFSFB-LLVKDONJSA-N 1 0 325.434 2.340 20 70 EEIDRO Cc1ccccc1OCCC[NH+]1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000159366384 463283125 /nfs/dbraw/zinc/28/31/25/463283125.db2.gz PDELGKFPSCJAFR-SFHVURJKSA-N 1 0 345.487 2.178 20 70 EEIDRO CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)N(CC[NH+](C)C)C(C)C ZINC000159562930 463292703 /nfs/dbraw/zinc/29/27/03/463292703.db2.gz ILLHZAKHTLAOOZ-CQSZACIVSA-N 1 0 336.484 2.218 20 70 EEIDRO CC(C)CC(=O)NCCC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000159895981 463310529 /nfs/dbraw/zinc/31/05/29/463310529.db2.gz AUJRKLWPNCNSLU-UHFFFAOYSA-N 1 0 325.497 2.310 20 70 EEIDRO CC(C)OC(=O)CCCNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160100130 463318302 /nfs/dbraw/zinc/31/83/02/463318302.db2.gz ZBYQLQAGQCDASA-INIZCTEOSA-N 1 0 339.480 2.378 20 70 EEIDRO [NH3+]C[C@H]1CCCN1C(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1 ZINC000160388113 463332796 /nfs/dbraw/zinc/33/27/96/463332796.db2.gz UCPWVARHPOLIFQ-GFCCVEGCSA-N 1 0 345.834 2.361 20 70 EEIDRO Cc1cc(Cl)ccc1C(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000160482809 463343366 /nfs/dbraw/zinc/34/33/66/463343366.db2.gz RRMYQYIFWXIFIJ-MRXNPFEDSA-N 1 0 349.862 2.203 20 70 EEIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccc(F)c(F)c1 ZINC000160526593 463346279 /nfs/dbraw/zinc/34/62/79/463346279.db2.gz LMDHWTDGZTYAOG-IAGOWNOFSA-N 1 0 338.398 2.463 20 70 EEIDRO Cc1cc(C)cc(N2CC[C@H](C(=O)N[C@H]3CCC[C@H]([NH3+])C3)C2=O)c1 ZINC000160859008 463377250 /nfs/dbraw/zinc/37/72/50/463377250.db2.gz VNVURQSSLUKWDJ-YQQAZPJKSA-N 1 0 329.444 2.042 20 70 EEIDRO CO[C@@H]1CCN(C(=O)c2cccc(Br)c2)[C@@H](C[NH3+])C1 ZINC000161042996 463394343 /nfs/dbraw/zinc/39/43/43/463394343.db2.gz RRMHNMKIBNJGTH-CHWSQXEVSA-N 1 0 327.222 2.027 20 70 EEIDRO C[C@@H](CC(=O)NCc1cc(=O)[nH]c2ccccc12)C1CC[NH2+]CC1 ZINC000161048369 463395432 /nfs/dbraw/zinc/39/54/32/463395432.db2.gz OLMVQKXXJJWHIL-ZDUSSCGKSA-N 1 0 327.428 2.170 20 70 EEIDRO CC(C)([NH3+])C(=O)N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000161330313 463422114 /nfs/dbraw/zinc/42/21/14/463422114.db2.gz TWSVEGOAESLBDR-UHFFFAOYSA-N 1 0 343.471 2.154 20 70 EEIDRO CC(C)[C@@H](CCO)NC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000161355173 463424770 /nfs/dbraw/zinc/42/47/70/463424770.db2.gz UAMKRFWADCXGOT-MAUKXSAKSA-N 1 0 348.491 2.313 20 70 EEIDRO C[NH+](C)CCCNC(=O)NCCc1ccc(Br)cc1 ZINC000217548939 485530964 /nfs/dbraw/zinc/53/09/64/485530964.db2.gz YLXUQUSJFPOMHA-UHFFFAOYSA-N 1 0 328.254 2.243 20 70 EEIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cccc(Br)c1 ZINC000159956511 534537757 /nfs/dbraw/zinc/53/77/57/534537757.db2.gz LRLMWVPRXZWAEK-CQSZACIVSA-N 1 0 341.249 2.026 20 70 EEIDRO CC[C@@H](Oc1cccc(C)c1)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160013635 529246102 /nfs/dbraw/zinc/24/61/02/529246102.db2.gz LGIYQRHOPQANIA-SJLPKXTDSA-N 1 0 334.460 2.115 20 70 EEIDRO CC[C@H](CCO)CNC(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160370501 529325845 /nfs/dbraw/zinc/32/58/45/529325845.db2.gz MPXRUJFFGTUFIX-JZXOWHBKSA-N 1 0 333.476 2.357 20 70 EEIDRO C[NH+](C)Cc1cccc(C(=O)N2CCOC[C@@H]2[C@H]2CCCCC2=O)c1 ZINC000160601671 282148794 /nfs/dbraw/zinc/14/87/94/282148794.db2.gz IFJHCFYPZLOQAU-QZTJIDSGSA-N 1 0 344.455 2.349 20 70 EEIDRO CC[C@@H]1Oc2cc([C@@H](C)NC(=O)C[C@@H]3CCC[NH2+]3)ccc2NC1=O ZINC000161380987 529474071 /nfs/dbraw/zinc/47/40/71/529474071.db2.gz ADCXTUCHYOYGSP-ZLDLUXBVSA-N 1 0 331.416 2.115 20 70 EEIDRO C[C@H](C(=O)Nc1ccccc1Br)[N@H+](C)C[C@H](O)C1CC1 ZINC000160839189 539523995 /nfs/dbraw/zinc/52/39/95/539523995.db2.gz PMIHVQOLNPQUON-YGRLFVJLSA-N 1 0 341.249 2.479 20 70 EEIDRO C[C@@H](C(=O)NCCc1cccs1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161363383 539527213 /nfs/dbraw/zinc/52/72/13/539527213.db2.gz HSNHDIJYSBRMDI-HNNXBMFYSA-N 1 0 344.484 2.013 20 70 EEIDRO C[C@H](C(=O)NCC1CCCCC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161330586 539527326 /nfs/dbraw/zinc/52/73/26/539527326.db2.gz BBHIGCOEZRKXSM-MRXNPFEDSA-N 1 0 330.476 2.289 20 70 EEIDRO COc1cc(C(=O)N2CC[NH2+]CC2)cc(Cl)c1OCC(C)C ZINC000159369339 225203982 /nfs/dbraw/zinc/20/39/82/225203982.db2.gz DTKQGXVCGHFOCD-UHFFFAOYSA-N 1 0 326.824 2.429 20 70 EEIDRO Cc1c(F)cccc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000159435255 225217467 /nfs/dbraw/zinc/21/74/67/225217467.db2.gz PKAWMLDGCBXYFZ-AWEZNQCLSA-N 1 0 335.423 2.167 20 70 EEIDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cnc2c(c1)ncn2C ZINC000161111960 279283821 /nfs/dbraw/zinc/28/38/21/279283821.db2.gz DXMQDHACNKEVAS-CQSZACIVSA-N 1 0 337.427 2.219 20 70 EEIDRO [NH3+]CCCNC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000160138933 295231418 /nfs/dbraw/zinc/23/14/18/295231418.db2.gz QZNLUMWPYPIYEH-CYBMUJFWSA-N 1 0 344.242 2.063 20 70 EEIDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)NCC2(C3CC3)CCC2)CC1 ZINC000159677192 311344629 /nfs/dbraw/zinc/34/46/29/311344629.db2.gz HULQIHVSGWBFSS-INIZCTEOSA-N 1 0 336.524 2.140 20 70 EEIDRO Cc1c(C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)cnn1C1CCOCC1 ZINC000159788726 311346204 /nfs/dbraw/zinc/34/62/04/311346204.db2.gz BEWCVFIVUVJODC-OAHLLOKOSA-N 1 0 348.491 2.393 20 70 EEIDRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1C(=O)NCC[NH+]1CCCCC1 ZINC000159889557 311347259 /nfs/dbraw/zinc/34/72/59/311347259.db2.gz HMZJUSSTHRPGLF-HUUCEWRRSA-N 1 0 339.480 2.282 20 70 EEIDRO C[NH+](C)Cc1cccc(CNC(=O)CNC(=O)CC2CCCC2)c1 ZINC000159990090 311349001 /nfs/dbraw/zinc/34/90/01/311349001.db2.gz UTMNUVJDNWUCRH-UHFFFAOYSA-N 1 0 331.460 2.061 20 70 EEIDRO CCCN(Cc1cnc(N(CC)CC)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000161073123 311361871 /nfs/dbraw/zinc/36/18/71/311361871.db2.gz OFBXHNQUUPRYCU-CYBMUJFWSA-N 1 0 345.534 2.388 20 70 EEIDRO CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccc(C(C)(C)C(N)=O)cc1 ZINC000159832660 463306300 /nfs/dbraw/zinc/30/63/00/463306300.db2.gz ZUTGBEULYCRRLT-CYBMUJFWSA-N 1 0 334.464 2.301 20 70 EEIDRO COc1ccc(Br)c(C(=O)N(C)[C@H](C[NH3+])C2CC2)c1 ZINC000159825578 463306389 /nfs/dbraw/zinc/30/63/89/463306389.db2.gz IDMWEECSFAAZTG-CYBMUJFWSA-N 1 0 327.222 2.267 20 70 EEIDRO Cc1c[nH]c(=O)n1-c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NCC(C)C)cc1 ZINC000159860411 463307641 /nfs/dbraw/zinc/30/76/41/463307641.db2.gz QQEBHTCUZLYUFT-CABCVRRESA-N 1 0 344.459 2.285 20 70 EEIDRO Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159882590 463309416 /nfs/dbraw/zinc/30/94/16/463309416.db2.gz UDFZHOFZOUVAHO-CYBMUJFWSA-N 1 0 332.492 2.206 20 70 EEIDRO C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2CCn3ccnc3C2)cc1 ZINC000160227847 463323957 /nfs/dbraw/zinc/32/39/57/463323957.db2.gz VSTSTZCTADURCM-CQSZACIVSA-N 1 0 328.416 2.025 20 70 EEIDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)c(C)c1 ZINC000161007979 463390933 /nfs/dbraw/zinc/39/09/33/463390933.db2.gz CTJDNXSVSMOTDM-HNNXBMFYSA-N 1 0 339.439 2.369 20 70 EEIDRO COc1ccc(NC(=O)CC2([NH+]3CCOCC3)CCCC2)cc1N ZINC000161028478 463393077 /nfs/dbraw/zinc/39/30/77/463393077.db2.gz FNVZYNBZPSCESO-UHFFFAOYSA-N 1 0 333.432 2.251 20 70 EEIDRO CCC(=O)N1CC[C@H](C(=O)NC[C@@H](c2ccco2)[NH+](CC)CC)C1 ZINC000161036643 463393755 /nfs/dbraw/zinc/39/37/55/463393755.db2.gz MQAYXKJDPLVFBE-GJZGRUSLSA-N 1 0 335.448 2.037 20 70 EEIDRO CC[NH2+]CC1CCN(C(=O)CCOCc2ccc(OC)cc2)CC1 ZINC000161053170 463395237 /nfs/dbraw/zinc/39/52/37/463395237.db2.gz AMAXAWOLNJEXCO-UHFFFAOYSA-N 1 0 334.460 2.450 20 70 EEIDRO CC(C)[N@H+]1C[C@H](NC(=O)c2cccc(N3CCCNC3=O)c2)[C@@H](C)C1 ZINC000161104363 463399434 /nfs/dbraw/zinc/39/94/34/463399434.db2.gz MHOFQLOBIVQYNA-YOEHRIQHSA-N 1 0 344.459 2.065 20 70 EEIDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C[C@H]2COC(=O)C2)CC1 ZINC000161176084 463406598 /nfs/dbraw/zinc/40/65/98/463406598.db2.gz XUFIAMWTAMXVNT-DOTOQJQBSA-N 1 0 336.476 2.443 20 70 EEIDRO COc1ccccc1-c1nn(C)cc1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161246176 463412505 /nfs/dbraw/zinc/41/25/05/463412505.db2.gz NAAIFRDYISGQKL-STQMWFEESA-N 1 0 328.416 2.095 20 70 EEIDRO C[C@@H](NC(=O)N1CCC([N@H+](C)CCO)CC1)c1ccc(Cl)cc1 ZINC000161242010 463412574 /nfs/dbraw/zinc/41/25/74/463412574.db2.gz PSAGAWCAFNITKS-CYBMUJFWSA-N 1 0 339.867 2.499 20 70 EEIDRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(C(=O)NCC(C)(C)C)cc2)C1 ZINC000161310744 463417693 /nfs/dbraw/zinc/41/76/93/463417693.db2.gz DQUZKZKCOZZUGM-AWEZNQCLSA-N 1 0 331.460 2.144 20 70 EEIDRO COCc1cc(NC[C@H]2CCC[N@H+](CC(C)C)C2)n2ncnc2n1 ZINC000161302504 463418297 /nfs/dbraw/zinc/41/82/97/463418297.db2.gz CBOAKLHDHQZGGZ-CQSZACIVSA-N 1 0 332.452 2.051 20 70 EEIDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NC[C@H](O)C(C)(C)C)CC1 ZINC000161318368 463419600 /nfs/dbraw/zinc/41/96/00/463419600.db2.gz HBQUQYUPYAMPRS-YOEHRIQHSA-N 1 0 348.491 2.313 20 70 EEIDRO COc1ccc(NC(=O)[C@@]2(C)CCC[NH2+]C2)cc1N1CCCC1=O ZINC000161379953 463426948 /nfs/dbraw/zinc/42/69/48/463426948.db2.gz OVIPJRNTDTWSLV-SFHVURJKSA-N 1 0 331.416 2.150 20 70 EEIDRO CC(C)(C)CNC(=O)c1ccc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000161466968 463432288 /nfs/dbraw/zinc/43/22/88/463432288.db2.gz VONRECFQMYTPRX-JKSUJKDBSA-N 1 0 331.460 2.462 20 70 EEIDRO CC[NH2+]CC1CCN(C(=O)CCc2ccc(OC)c(OC)c2)CC1 ZINC000161132230 528280745 /nfs/dbraw/zinc/28/07/45/528280745.db2.gz AOEHWDYICSZLTM-UHFFFAOYSA-N 1 0 334.460 2.485 20 70 EEIDRO CC(C)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000160315276 529108533 /nfs/dbraw/zinc/10/85/33/529108533.db2.gz ZNGMAOGXYPMQOH-SJORKVTESA-N 1 0 345.487 2.298 20 70 EEIDRO Cc1cc2[nH]c(C(=O)NC[C@@H](O)C[NH+]3CCCCC3)cc2c(C)c1 ZINC000160222801 237233480 /nfs/dbraw/zinc/23/34/80/237233480.db2.gz BELOYNFNYJNGDM-OAHLLOKOSA-N 1 0 329.444 2.361 20 70 EEIDRO C[NH2+][C@@H]1CCN(C(=O)CCc2ccc(OC)c(Br)c2)C1 ZINC000160563460 255798448 /nfs/dbraw/zinc/79/84/48/255798448.db2.gz FWAVBFHHIAIYJC-GFCCVEGCSA-N 1 0 341.249 2.211 20 70 EEIDRO O=C(/C=C/c1ccc2ccccc2n1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160007616 225319146 /nfs/dbraw/zinc/31/91/46/225319146.db2.gz JNTMYOIYGLLPSO-DOJUMQAQSA-N 1 0 339.439 2.211 20 70 EEIDRO Cn1c2ccc(NC(=O)NC3CCC(C[NH+](C)C)CC3)cc2oc1=O ZINC000160015023 225319765 /nfs/dbraw/zinc/31/97/65/225319765.db2.gz LZUIFQZTSSFKJM-UHFFFAOYSA-N 1 0 346.431 2.373 20 70 EEIDRO COC1(C(=O)N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)CC[NH2+]CC1 ZINC000160392172 225402811 /nfs/dbraw/zinc/40/28/11/225402811.db2.gz WURJWFDYHUBOOK-OAHLLOKOSA-N 1 0 348.418 2.016 20 70 EEIDRO CC[C@H](O)CCNC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000161325173 288098157 /nfs/dbraw/zinc/09/81/57/288098157.db2.gz SCPNMBVNFVXPJX-PBHICJAKSA-N 1 0 334.464 2.067 20 70 EEIDRO C[C@H](O)CCN(C)C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000161239875 290071148 /nfs/dbraw/zinc/07/11/48/290071148.db2.gz GIIIIOSZJSNNPT-GJZGRUSLSA-N 1 0 334.464 2.019 20 70 EEIDRO Cc1cc(NC(=O)c2ccc(C[NH+](C)C)cc2)ccc1-n1cnnn1 ZINC000159620900 311343892 /nfs/dbraw/zinc/34/38/92/311343892.db2.gz CGLFCARMXWDYDU-UHFFFAOYSA-N 1 0 336.399 2.285 20 70 EEIDRO Cc1cccc(-n2cc(C(=O)NCC[N@H+]3CCC[C@H](C)C3)nn2)c1 ZINC000160258609 311352249 /nfs/dbraw/zinc/35/22/49/311352249.db2.gz IUJWRYTYKACUAQ-HNNXBMFYSA-N 1 0 327.432 2.037 20 70 EEIDRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@H]1CCOC2(CCCC2)C1 ZINC000159644260 463296839 /nfs/dbraw/zinc/29/68/39/463296839.db2.gz NUDJVGMCWNPVOL-IRXDYDNUSA-N 1 0 338.492 2.388 20 70 EEIDRO Cn1cnc2cc(C(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)cnc21 ZINC000160010201 463314466 /nfs/dbraw/zinc/31/44/66/463314466.db2.gz DIZVQCZOHMJRTQ-OAHLLOKOSA-N 1 0 339.399 2.128 20 70 EEIDRO CC(C)OC(=O)CCCNC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000160196004 463322610 /nfs/dbraw/zinc/32/26/10/463322610.db2.gz OQUZCBDQYDGCDW-OAHLLOKOSA-N 1 0 327.469 2.234 20 70 EEIDRO CCOC(=O)C[C@H](C)NC(=O)CSCc1cn2cc(C)ccc2n1 ZINC000160220613 463323464 /nfs/dbraw/zinc/32/34/64/463323464.db2.gz KBRIPLDMNQHBPY-ZDUSSCGKSA-N 1 0 349.456 2.334 20 70 EEIDRO CC[C@@H](CNC(=O)N1CCC[C@](C)(O)C1)[N@@H+]1CCc2ccccc2C1 ZINC000160298414 463326976 /nfs/dbraw/zinc/32/69/76/463326976.db2.gz WOWIQDSRBLGIIB-ICSRJNTNSA-N 1 0 345.487 2.380 20 70 EEIDRO O=C(NCC1CC[NH+](CCO)CC1)c1ccc(C(F)(F)F)cc1 ZINC000160629432 463356269 /nfs/dbraw/zinc/35/62/69/463356269.db2.gz QRIJZCIUJQBHJP-UHFFFAOYSA-N 1 0 330.350 2.140 20 70 EEIDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cccc2c1oc(=O)n2C ZINC000160645722 463359054 /nfs/dbraw/zinc/35/90/54/463359054.db2.gz LYDJWFMVSDYGCA-CYBMUJFWSA-N 1 0 333.432 2.372 20 70 EEIDRO Cc1ccc(-c2nc(C(=O)NCC3CC[NH+](CCO)CC3)cs2)o1 ZINC000160709241 463364742 /nfs/dbraw/zinc/36/47/42/463364742.db2.gz NAYLAEWRHUHAQY-UHFFFAOYSA-N 1 0 349.456 2.146 20 70 EEIDRO C[C@@H]1CCC[C@@H](C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000160757318 463368466 /nfs/dbraw/zinc/36/84/66/463368466.db2.gz UPVKYMWZCGXELY-NVXWUHKLSA-N 1 0 330.476 2.276 20 70 EEIDRO C[C@@H]1CCC[C@](CNC(=O)c2cccc3c2oc(=O)n3C)([NH+](C)C)C1 ZINC000160778930 463370247 /nfs/dbraw/zinc/37/02/47/463370247.db2.gz CFRMONGXHFSKIR-YJYMSZOUSA-N 1 0 345.443 2.372 20 70 EEIDRO Cc1ccc(NS(C)(=O)=O)c(NC(=O)CCCCCC[NH3+])c1 ZINC000160905853 463381567 /nfs/dbraw/zinc/38/15/67/463381567.db2.gz GSUSZGAROMOMNX-UHFFFAOYSA-N 1 0 327.450 2.214 20 70 EEIDRO COCCOc1cccc(CC(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000161073965 463397713 /nfs/dbraw/zinc/39/77/13/463397713.db2.gz XPWMMUSGBOUODV-UHFFFAOYSA-N 1 0 334.460 2.243 20 70 EEIDRO CCC[C@@H](O)CNC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000161211030 463410700 /nfs/dbraw/zinc/41/07/00/463410700.db2.gz PDXSLVSCYOXSKW-RHSMWYFYSA-N 1 0 334.464 2.067 20 70 EEIDRO CCCCC[C@H](C)NC(=O)CN1CCN(Cc2ccncc2)CC1 ZINC000161230604 463411682 /nfs/dbraw/zinc/41/16/82/463411682.db2.gz CWHYCIJBPXCMKN-KRWDZBQOSA-N 1 0 332.492 2.284 20 70 EEIDRO C[C@@H](O)C[C@@H](C)CNC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000161261539 463413894 /nfs/dbraw/zinc/41/38/94/463413894.db2.gz PLKKVCIAAQUAHC-OAGGEKHMSA-N 1 0 348.491 2.313 20 70 EEIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2ccc(OCC(F)(F)C(F)F)nc2)C1 ZINC000161284573 463415712 /nfs/dbraw/zinc/41/57/12/463415712.db2.gz NDGLTBZGQXGUIC-GHMZBOCLSA-N 1 0 349.328 2.361 20 70 EEIDRO C[NH2+]C[C@@H]1CCCN1C(=O)CCc1nc(-c2ccc(F)c(C)c2)no1 ZINC000161345594 463422602 /nfs/dbraw/zinc/42/26/02/463422602.db2.gz PMXMXDLXDRIZKC-AWEZNQCLSA-N 1 0 346.406 2.327 20 70 EEIDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccnc(OCC(F)(F)F)c1 ZINC000161340751 463422612 /nfs/dbraw/zinc/42/26/12/463422612.db2.gz YXIXEVIQEUEHCX-NSHDSACASA-N 1 0 343.349 2.237 20 70 EEIDRO CC[C@H]1Oc2cc([C@@H](C)NC(=O)CC3([NH3+])CCC3)ccc2NC1=O ZINC000161381364 463426831 /nfs/dbraw/zinc/42/68/31/463426831.db2.gz TUKZXAREOYSLOK-BXUZGUMPSA-N 1 0 331.416 2.245 20 70 EEIDRO Cc1c(/C=C/C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)cnn1C ZINC000161500493 463434424 /nfs/dbraw/zinc/43/44/24/463434424.db2.gz GUNYJMHPKSUYTO-JXMROGBWSA-N 1 0 344.434 2.471 20 70 EEIDRO Cc1ccc(NC(=O)C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)cn1 ZINC000160088295 534172527 /nfs/dbraw/zinc/17/25/27/534172527.db2.gz MVMURJXVKADACX-HNNXBMFYSA-N 1 0 332.448 2.099 20 70 EEIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(F)c(C(F)(F)F)c1 ZINC000160114213 534538560 /nfs/dbraw/zinc/53/85/60/534538560.db2.gz RYQUDSKTXLSFGF-GFCCVEGCSA-N 1 0 348.340 2.421 20 70 EEIDRO CC[NH2+]CC1CCN(C(=O)CCN(Cc2ccccc2)C(C)=O)CC1 ZINC000161006264 528280146 /nfs/dbraw/zinc/28/01/46/528280146.db2.gz IEYVOUCJMYKWAH-UHFFFAOYSA-N 1 0 345.487 2.273 20 70 EEIDRO CC(C)[C@H](CNC(=O)[C@@H](C)Cc1ccccc1F)[NH+]1CCN(C)CC1 ZINC000160052909 529008093 /nfs/dbraw/zinc/00/80/93/529008093.db2.gz ISXUXBFNNKSRDQ-LPHOPBHVSA-N 1 0 349.494 2.393 20 70 EEIDRO CCC(CC)(CNC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)C(=O)OC ZINC000160914298 282103605 /nfs/dbraw/zinc/10/36/05/282103605.db2.gz ZHUNUOIPCUNAMX-ZIAGYGMSSA-N 1 0 327.469 2.138 20 70 EEIDRO O=C(Nc1ccn(CC(F)(F)F)n1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160553749 539522474 /nfs/dbraw/zinc/52/24/74/539522474.db2.gz HSCPAPRQZGULQV-LLVKDONJSA-N 1 0 331.342 2.051 20 70 EEIDRO C[C@H](CSc1ccccc1)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160020161 237224845 /nfs/dbraw/zinc/22/48/45/237224845.db2.gz WQLCDDBHDDFPCV-HZPDHXFCSA-N 1 0 336.501 2.378 20 70 EEIDRO C[C@@H]1C[N@@H+](CCCNC(=O)c2c(F)cc(F)cc2F)C[C@H](C)O1 ZINC000159417447 206245719 /nfs/dbraw/zinc/24/57/19/206245719.db2.gz JPXREHCPEZBROW-PHIMTYICSA-N 1 0 330.350 2.333 20 70 EEIDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)C1NC(=O)C[C@H]1COC(=O)C1 ZINC000159691984 206259245 /nfs/dbraw/zinc/25/92/45/206259245.db2.gz AKZLQGBDOOWEPC-XMLKIIPHSA-N 1 0 344.455 2.212 20 70 EEIDRO Cc1c(CNC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)cnn1C ZINC000159567025 206253080 /nfs/dbraw/zinc/25/30/80/206253080.db2.gz SJACNCDGBMSMNV-SFHVURJKSA-N 1 0 341.459 2.365 20 70 EEIDRO C[C@@H]([NH2+]CCN1C(=O)CNC1=O)c1nc(-c2ccccc2)cs1 ZINC000159839335 206265061 /nfs/dbraw/zinc/26/50/61/206265061.db2.gz QMHCVGOUNCMMND-LLVKDONJSA-N 1 0 330.413 2.013 20 70 EEIDRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1cccc(NC(=O)N(C)C)c1 ZINC000159756453 206262831 /nfs/dbraw/zinc/26/28/31/206262831.db2.gz BEIFMNZXLIVPBY-CQSZACIVSA-N 1 0 332.448 2.384 20 70 EEIDRO CCC(CC)[C@H](CNC(=O)C(=O)Nc1ccc(C)nc1)[NH+]1CCCC1 ZINC000159937141 206271008 /nfs/dbraw/zinc/27/10/08/206271008.db2.gz RRNVGSVJZCKCBB-KRWDZBQOSA-N 1 0 346.475 2.345 20 70 EEIDRO CC(C)Oc1cc(CNC(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)ccn1 ZINC000160000706 206274386 /nfs/dbraw/zinc/27/43/86/206274386.db2.gz MPJZHHKYFJYHST-UKRRQHHQSA-N 1 0 332.448 2.293 20 70 EEIDRO O=C(C[C@@H]1COC(=O)C1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000160301140 206290524 /nfs/dbraw/zinc/29/05/24/206290524.db2.gz AAEWNOSMEVBXOS-SFHVURJKSA-N 1 0 344.455 2.107 20 70 EEIDRO COCCOc1ccc([C@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)cc1 ZINC000160392485 206294692 /nfs/dbraw/zinc/29/46/92/206294692.db2.gz AUCGLTJDPYLWPQ-XJKSGUPXSA-N 1 0 330.432 2.277 20 70 EEIDRO CSCC[C@@H]([NH3+])C(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000160969258 206320990 /nfs/dbraw/zinc/32/09/90/206320990.db2.gz FEFQCANVBICXHZ-NEPJUHHUSA-N 1 0 337.272 2.223 20 70 EEIDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)c(C)c1 ZINC000161007871 206321913 /nfs/dbraw/zinc/32/19/13/206321913.db2.gz CTJDNXSVSMOTDM-OAHLLOKOSA-N 1 0 339.439 2.369 20 70 EEIDRO O[C@H](COCc1ccccc1F)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160989886 206322975 /nfs/dbraw/zinc/32/29/75/206322975.db2.gz YRXCVPBVRUECTJ-ZIFCJYIRSA-N 1 0 337.435 2.330 20 70 EEIDRO C[C@H](O)C[C@H](C)CNC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000161261670 206337995 /nfs/dbraw/zinc/33/79/95/206337995.db2.gz PLKKVCIAAQUAHC-JYJNAYRXSA-N 1 0 348.491 2.313 20 70 EEIDRO CCOc1cc2c(cc1CNC(=O)[C@]1(C)CCC[NH2+]C1)O[C@H](C)C2 ZINC000161313061 206340063 /nfs/dbraw/zinc/34/00/63/206340063.db2.gz YOXCLGAHMAGHKP-BFUOFWGJSA-N 1 0 332.444 2.415 20 70 EEIDRO CC(C)[N@H+]1C[C@H](NC(=O)c2ccc(-c3ccco3)[nH]c2=O)[C@@H](C)C1 ZINC000161389467 206346285 /nfs/dbraw/zinc/34/62/85/206346285.db2.gz RYJVQQXZXBHZIS-WFASDCNBSA-N 1 0 329.400 2.093 20 70 EEIDRO [NH3+]C[C@H]1CCCN1C(=O)c1ccc(CNC(=O)C2CCCC2)cc1 ZINC000160292367 295270163 /nfs/dbraw/zinc/27/01/63/295270163.db2.gz PYZYDMHTWFJSMS-QGZVFWFLSA-N 1 0 329.444 2.056 20 70 EEIDRO C[C@@H](CNC(=O)Nc1ccnn1C[C@@H]1CCOC1)[NH+]1CCC(C)CC1 ZINC000159399968 311340838 /nfs/dbraw/zinc/34/08/38/311340838.db2.gz NEXKYTOMFQZRCU-HOTGVXAUSA-N 1 0 349.479 2.162 20 70 EEIDRO CC(C)OCC[NH+]1CCC(NC(=O)c2ccc3c(c2)N(C)CC3)CC1 ZINC000159425094 311341042 /nfs/dbraw/zinc/34/10/42/311341042.db2.gz BEIJRRSWUMFQGX-UHFFFAOYSA-N 1 0 345.487 2.298 20 70 EEIDRO C[NH+](C)Cc1ccccc1CNC(=O)c1cnc(C(F)(F)F)nc1 ZINC000159567315 311342870 /nfs/dbraw/zinc/34/28/70/311342870.db2.gz ZDDUVBRYEHDDIM-UHFFFAOYSA-N 1 0 338.333 2.487 20 70 EEIDRO CCOc1ccc(CN(C)C(=O)C[N@H+](C)C[C@H]2CCC[C@@H]2O)cc1 ZINC000159658624 311344315 /nfs/dbraw/zinc/34/43/15/311344315.db2.gz NWRSERDDINYBOB-AEFFLSMTSA-N 1 0 334.460 2.137 20 70 EEIDRO CC[C@H]([NH3+])C(=O)NC[C@H](Cc1ccc2ccccc2c1)C(=O)OC ZINC000160055140 311349741 /nfs/dbraw/zinc/34/97/41/311349741.db2.gz ZZCGROPPIJQDRS-IRXDYDNUSA-N 1 0 328.412 2.025 20 70 EEIDRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N[C@H]1CCOC2(CCCC2)C1 ZINC000159644358 463297706 /nfs/dbraw/zinc/29/77/06/463297706.db2.gz NUDJVGMCWNPVOL-DLBZAZTESA-N 1 0 338.492 2.388 20 70 EEIDRO Cc1nccn1CCCN(C)C(=O)Nc1ccn(CC(F)F)n1 ZINC000159748685 463303168 /nfs/dbraw/zinc/30/31/68/463303168.db2.gz VYNPZOUGVBUPKY-UHFFFAOYSA-N 1 0 326.351 2.207 20 70 EEIDRO CCC[C@@H](C)N1C[C@H](C(=O)N2CCC([NH2+]CC3CC3)CC2)CC1=O ZINC000159823678 463306307 /nfs/dbraw/zinc/30/63/07/463306307.db2.gz UDORUZAIRJICQG-GDBMZVCRSA-N 1 0 335.492 2.014 20 70 EEIDRO Cn1cc(N2CCC[C@H](N3CCC(OC4CCCC4)CC3)C2=O)cn1 ZINC000159979824 463312317 /nfs/dbraw/zinc/31/23/17/463312317.db2.gz WAKQQUSEXHBUCA-SFHVURJKSA-N 1 0 346.475 2.339 20 70 EEIDRO CC(C)(C(N)=O)c1ccc(NC(=O)NCC[NH+]2CCCCC2)cc1 ZINC000159965412 463312734 /nfs/dbraw/zinc/31/27/34/463312734.db2.gz ULUQHUROYDUTDD-UHFFFAOYSA-N 1 0 332.448 2.057 20 70 EEIDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc(C(C)(C)C(N)=O)cc1 ZINC000160032149 463315873 /nfs/dbraw/zinc/31/58/73/463315873.db2.gz PEMHBGJRPSRNIR-AWEZNQCLSA-N 1 0 346.475 2.445 20 70 EEIDRO Cc1ccc2c(c1)[C@H](NC(=O)[C@H]([NH2+]C1CCOCC1)C(C)C)CO2 ZINC000160128163 463320247 /nfs/dbraw/zinc/32/02/47/463320247.db2.gz UKCVUMFAKBXRFT-SJLPKXTDSA-N 1 0 332.444 2.338 20 70 EEIDRO O=S(=O)(c1ccc(F)c(F)c1)N1CCC([NH2+]CC2CC2)CC1 ZINC000160153142 463321089 /nfs/dbraw/zinc/32/10/89/463321089.db2.gz HTSCCHAKDZNZGQ-UHFFFAOYSA-N 1 0 330.400 2.118 20 70 EEIDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000160367569 463331676 /nfs/dbraw/zinc/33/16/76/463331676.db2.gz KLTFLLWUHJNCET-SJLPKXTDSA-N 1 0 346.475 2.112 20 70 EEIDRO CC[C@H]([NH2+][C@@H]1CCc2nc(C)nn2C1)c1ccc2c(c1)OCCO2 ZINC000160394945 463334781 /nfs/dbraw/zinc/33/47/81/463334781.db2.gz KYPITUSNJOMLMX-CABCVRRESA-N 1 0 328.416 2.413 20 70 EEIDRO Cc1cccc2nc(C[NH+]3CCC(c4cnn(C)c4)CC3)cc(=O)n12 ZINC000160446281 463339680 /nfs/dbraw/zinc/33/96/80/463339680.db2.gz RGFZYCJFRVJTQQ-UHFFFAOYSA-N 1 0 337.427 2.116 20 70 EEIDRO CC(C)COc1cccc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000160571504 463351158 /nfs/dbraw/zinc/35/11/58/463351158.db2.gz XELNXUZUQJLPRR-QGZVFWFLSA-N 1 0 334.460 2.298 20 70 EEIDRO C[C@@H]([NH2+]CC(C)(C)O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000160642426 463357650 /nfs/dbraw/zinc/35/76/50/463357650.db2.gz XHHMTGXMHFRAFU-CQSZACIVSA-N 1 0 340.489 2.283 20 70 EEIDRO Cc1ncc(/C=C/C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)s1 ZINC000160641896 463357776 /nfs/dbraw/zinc/35/77/76/463357776.db2.gz YHBNJVYQSLXXDL-KGVXHEBISA-N 1 0 349.500 2.349 20 70 EEIDRO CC(C)CC(=O)NCCC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000160670143 463360941 /nfs/dbraw/zinc/36/09/41/463360941.db2.gz YCCSPRBSQAEHCS-CALCHBBNSA-N 1 0 339.524 2.413 20 70 EEIDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N(Cc1ccco1)C[C@@H]1CCCO1 ZINC000160758631 463368628 /nfs/dbraw/zinc/36/86/28/463368628.db2.gz UWNKVQZECISEGK-AEFFLSMTSA-N 1 0 347.459 2.455 20 70 EEIDRO CC(C)[C@H](O)CCNC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000161187532 463408966 /nfs/dbraw/zinc/40/89/66/463408966.db2.gz NWWFCJVJMUIJPP-CRAIPNDOSA-N 1 0 348.491 2.313 20 70 EEIDRO C[C@@H]1C[NH+](CCCNC(=O)c2c(F)cc(F)cc2F)C[C@@H](C)O1 ZINC000159417702 206245822 /nfs/dbraw/zinc/24/58/22/206245822.db2.gz JPXREHCPEZBROW-GHMZBOCLSA-N 1 0 330.350 2.333 20 70 EEIDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)Nc2cnn(C)c2)CC1 ZINC000159932192 206271171 /nfs/dbraw/zinc/27/11/71/206271171.db2.gz OYOMNVWMJHSEQU-CYBMUJFWSA-N 1 0 328.420 2.162 20 70 EEIDRO Cc1conc1NC(=O)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000160003737 206274682 /nfs/dbraw/zinc/27/46/82/206274682.db2.gz WZSVAWAKPQVOOB-UHFFFAOYSA-N 1 0 348.447 2.227 20 70 EEIDRO CCC[C@H]1CN(C(=O)NCc2ccc(O)cc2)CC[N@@H+]1CCOC ZINC000160130470 206281161 /nfs/dbraw/zinc/28/11/61/206281161.db2.gz KZZUWXCNGRUJCX-INIZCTEOSA-N 1 0 335.448 2.035 20 70 EEIDRO Cc1onc(-c2ccccc2)c1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160170786 206282514 /nfs/dbraw/zinc/28/25/14/206282514.db2.gz XNUDCEXKWIAQRT-MRXNPFEDSA-N 1 0 343.427 2.227 20 70 EEIDRO C[C@@H]1CCC[C@@](CNC(=O)c2cccc3c2oc(=O)n3C)([NH+](C)C)C1 ZINC000160778669 206312896 /nfs/dbraw/zinc/31/28/96/206312896.db2.gz CFRMONGXHFSKIR-BFUOFWGJSA-N 1 0 345.443 2.372 20 70 EEIDRO COc1ccccc1CNC(=O)[C@H](C)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161048693 206325287 /nfs/dbraw/zinc/32/52/87/206325287.db2.gz GKEZPZVXYUADSF-XAUMDUMWSA-N 1 0 346.471 2.327 20 70 EEIDRO CN1CC[C@H](Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)C1=O ZINC000161190447 206334330 /nfs/dbraw/zinc/33/43/30/206334330.db2.gz LEAKYCGUHRBNKG-SFHVURJKSA-N 1 0 330.476 2.107 20 70 EEIDRO CCC(=O)N1CC[C@@H](C(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)C1 ZINC000161339593 206341840 /nfs/dbraw/zinc/34/18/40/206341840.db2.gz QGMMBEUDSBYCCB-HZPDHXFCSA-N 1 0 347.459 2.100 20 70 EEIDRO CC[C@H](O)CCNC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000161324907 206342171 /nfs/dbraw/zinc/34/21/71/206342171.db2.gz SCPNMBVNFVXPJX-YOEHRIQHSA-N 1 0 334.464 2.067 20 70 EEIDRO COc1ccc(Br)cc1/C=C/C(=O)N1CCC[C@H]1C[NH3+] ZINC000160189123 533262399 /nfs/dbraw/zinc/26/23/99/533262399.db2.gz CAZAXGLXBXHXOQ-LVDDQXARSA-N 1 0 339.233 2.421 20 70 EEIDRO COc1ccccc1S(=O)(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160133748 143807383 /nfs/dbraw/zinc/80/73/83/143807383.db2.gz IZYUPEBGARMRSI-OAHLLOKOSA-N 1 0 338.473 2.334 20 70 EEIDRO [NH3+][C@@H]1CCC[C@H]2CN(S(=O)(=O)c3cc(F)ccc3Cl)C[C@@H]21 ZINC000218582247 160216245 /nfs/dbraw/zinc/21/62/45/160216245.db2.gz DQKBBIPBAZRIBJ-XHVZSJERSA-N 1 0 332.828 2.227 20 70 EEIDRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]CCOC[C@@H]2CCCO2)cc1 ZINC000159542708 311342547 /nfs/dbraw/zinc/34/25/47/311342547.db2.gz MZQTULFSUBTMOG-ZBFHGGJFSA-N 1 0 341.473 2.326 20 70 EEIDRO C[N@@H+]1CCC[C@@H](CNC(=O)NCCOc2ccccc2Cl)C1 ZINC000159800750 311346391 /nfs/dbraw/zinc/34/63/91/311346391.db2.gz PHUKILFDYLPUQJ-ZDUSSCGKSA-N 1 0 325.840 2.360 20 70 EEIDRO Cc1c(C(=O)NCCC2CC[NH+](C)CC2)cnn1C1CCOCC1 ZINC000160266570 311352193 /nfs/dbraw/zinc/35/21/93/311352193.db2.gz AVZKDWMHJGQUQM-UHFFFAOYSA-N 1 0 334.464 2.005 20 70 EEIDRO Cc1cccc(-n2cc(C(=O)NCC[N@H+]3CCC[C@@H](C)C3)nn2)c1 ZINC000160258739 311352194 /nfs/dbraw/zinc/35/21/94/311352194.db2.gz IUJWRYTYKACUAQ-OAHLLOKOSA-N 1 0 327.432 2.037 20 70 EEIDRO CCc1ncc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)s1 ZINC000160545100 311355712 /nfs/dbraw/zinc/35/57/12/311355712.db2.gz XSAFFBQOZBASEP-UONOGXRCSA-N 1 0 337.489 2.203 20 70 EEIDRO COc1cccc(COCCNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000160579442 311356094 /nfs/dbraw/zinc/35/60/94/311356094.db2.gz WPOINCUZEGNDBG-NVXWUHKLSA-N 1 0 347.459 2.090 20 70 EEIDRO CC(C)CCn1ccc(NC(=O)Nc2ccn(CC[NH+](C)C)n2)n1 ZINC000161094179 311362337 /nfs/dbraw/zinc/36/23/37/311362337.db2.gz UQVKMTJHHNWYKZ-UHFFFAOYSA-N 1 0 333.440 2.331 20 70 EEIDRO CN(C[C@H]1CCC[C@@H]1O)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000161411387 311365521 /nfs/dbraw/zinc/36/55/21/311365521.db2.gz PDRZRKXGHHNYJO-SJORKVTESA-N 1 0 325.497 2.445 20 70 EEIDRO [NH3+]C1(CNC(=O)[C@H]2CCN(c3cccc(Cl)c3)C2=O)CCCCC1 ZINC000159590902 463293467 /nfs/dbraw/zinc/29/34/67/463293467.db2.gz IYRSYKIQELICEG-OAHLLOKOSA-N 1 0 349.862 2.471 20 70 EEIDRO O=C(C[NH2+]C[C@@H]1CCCO1)N[C@H](c1ccc(F)cc1)C(F)(F)F ZINC000159687349 463300336 /nfs/dbraw/zinc/30/03/36/463300336.db2.gz RORJCGWESVEBGH-GXTWGEPZSA-N 1 0 334.313 2.314 20 70 EEIDRO CC(C)C[C@@H](CNC(=O)CCN1c2ccccc2CCC1=O)[NH+](C)C ZINC000160043544 463315998 /nfs/dbraw/zinc/31/59/98/463315998.db2.gz KLXDEBBIQRLEHL-KRWDZBQOSA-N 1 0 345.487 2.448 20 70 EEIDRO CC(C)OCC[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000160214422 463324400 /nfs/dbraw/zinc/32/44/00/463324400.db2.gz DLXTZZMQFMBEJW-CYBMUJFWSA-N 1 0 332.238 2.203 20 70 EEIDRO C[N@H+](CCCc1nc(-c2ccccc2)no1)[C@H]1CCCCNC1=O ZINC000160299548 463326423 /nfs/dbraw/zinc/32/64/23/463326423.db2.gz PXQVRCMQCHTINK-HNNXBMFYSA-N 1 0 328.416 2.270 20 70 EEIDRO Cc1ccc([C@H](CNC(=O)NCc2cnn(C)c2C)[NH+]2CCCC2)o1 ZINC000160886470 463379531 /nfs/dbraw/zinc/37/95/31/463379531.db2.gz VWRVSFMSPHQOST-INIZCTEOSA-N 1 0 345.447 2.266 20 70 EEIDRO C[NH+](C)[C@H](CNC(=O)N[C@@H](CCO)C(C)(C)C)Cc1ccccc1 ZINC000161259131 463414161 /nfs/dbraw/zinc/41/41/61/463414161.db2.gz WLZJVZFJHAUIAE-IRXDYDNUSA-N 1 0 335.492 2.256 20 70 EEIDRO CC(C)(C)c1ccccc1OCC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160073159 526799817 /nfs/dbraw/zinc/79/98/17/526799817.db2.gz JASDFPDLPDQTGJ-MRXNPFEDSA-N 1 0 348.487 2.326 20 70 EEIDRO CC(C)(C)n1nc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1C1CC1 ZINC000159921019 526935943 /nfs/dbraw/zinc/93/59/43/526935943.db2.gz PDBSEHJIPXYXFA-OAHLLOKOSA-N 1 0 348.491 2.092 20 70 EEIDRO CN(CC(C)(C)CN1CCOCC1)C(=O)c1cc(C(C)(C)C)n[nH]1 ZINC000159975977 539519704 /nfs/dbraw/zinc/51/97/04/539519704.db2.gz HNYPHJUFNPUMJE-UHFFFAOYSA-N 1 0 336.480 2.138 20 70 EEIDRO CC(C)n1nccc1NC(=O)[C@@H](C)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161350886 539526700 /nfs/dbraw/zinc/52/67/00/539526700.db2.gz APULIYBVFUPXLK-OAHLLOKOSA-N 1 0 342.447 2.008 20 70 EEIDRO CC[C@H]1CCCCN1C(=O)[C@@H](C)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161326297 539527004 /nfs/dbraw/zinc/52/70/04/539527004.db2.gz JHXMFMQQHOASKK-SJORKVTESA-N 1 0 330.476 2.383 20 70 EEIDRO CC(=O)c1ccccc1NC(=O)CN1CCN(c2cc[nH+]cc2)CC1 ZINC000161312754 539527177 /nfs/dbraw/zinc/52/71/77/539527177.db2.gz SYNYCDBOQFONEF-UHFFFAOYSA-N 1 0 338.411 2.045 20 70 EEIDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc3c(c2)CCC3)C1 ZINC000159399055 206244660 /nfs/dbraw/zinc/24/46/60/206244660.db2.gz HYQGYZWAZBJVOW-OAHLLOKOSA-N 1 0 343.471 2.208 20 70 EEIDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2cccc3c2oc(=O)n3C)C1 ZINC000159484043 206248223 /nfs/dbraw/zinc/24/82/23/206248223.db2.gz IDMOHQWMOJORHW-OKILXGFUSA-N 1 0 345.443 2.229 20 70 EEIDRO CC[N@@H+]1CCCN(C(=O)NCCCOc2ccc(OC)cc2)CC1 ZINC000159747462 206261377 /nfs/dbraw/zinc/26/13/77/206261377.db2.gz WEHDCZHYARBXNX-UHFFFAOYSA-N 1 0 335.448 2.201 20 70 EEIDRO CCCOc1ccc(CNC(=O)C[N@H+](C)C[C@H]2CCC[C@@H]2O)cc1 ZINC000159825670 206264673 /nfs/dbraw/zinc/26/46/73/206264673.db2.gz KIKFHCMTCNIQDX-AEFFLSMTSA-N 1 0 334.460 2.184 20 70 EEIDRO C[C@@]1(O)CCCN(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000160244019 206285975 /nfs/dbraw/zinc/28/59/75/206285975.db2.gz FVILLHRAAKXFKS-LJQANCHMSA-N 1 0 331.460 2.339 20 70 EEIDRO C[C@]1(O)CCCN(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000160322628 206289480 /nfs/dbraw/zinc/28/94/80/206289480.db2.gz FLFVFYGSDQYMGJ-HKUYNNGSSA-N 1 0 331.460 2.380 20 70 EEIDRO C[NH+](C)CCCC1CCN(C(=O)NCc2cccc(C(N)=O)c2)CC1 ZINC000160334040 206291967 /nfs/dbraw/zinc/29/19/67/206291967.db2.gz OMYFTDDZQGNORK-UHFFFAOYSA-N 1 0 346.475 2.049 20 70 EEIDRO CC[C@@H](C)C[N@H+](CC)[C@@H](C)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000160572870 206304385 /nfs/dbraw/zinc/30/43/85/206304385.db2.gz KHYVAJFUOIJAPZ-CVEARBPZSA-N 1 0 349.475 2.321 20 70 EEIDRO CC1CC[NH+](C2CCC(NS(=O)(=O)c3cccnc3)CC2)CC1 ZINC000160962448 206320511 /nfs/dbraw/zinc/32/05/11/206320511.db2.gz YNOPIUYTDKHBEH-UHFFFAOYSA-N 1 0 337.489 2.403 20 70 EEIDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cccc2c1oc(=O)n2C ZINC000160993116 206322505 /nfs/dbraw/zinc/32/25/05/206322505.db2.gz WLIGAMFXBQUSPK-MGPQQGTHSA-N 1 0 345.443 2.228 20 70 EEIDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H](CCO)c2ccccc2)c1 ZINC000161039422 206324891 /nfs/dbraw/zinc/32/48/91/206324891.db2.gz KTIPSECSCXSELB-RDTXWAMCSA-N 1 0 348.468 2.369 20 70 EEIDRO Cc1cc(C(=O)N(C)c2ccc(OCC[NH+]3CCCC3)cc2)n[nH]1 ZINC000160820574 255801373 /nfs/dbraw/zinc/80/13/73/255801373.db2.gz JRWDQTDPIASLPU-UHFFFAOYSA-N 1 0 328.416 2.469 20 70 EEIDRO CCN(CC)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-n2c(C)c[nH]c2=O)cc1 ZINC000159880827 143803956 /nfs/dbraw/zinc/80/39/56/143803956.db2.gz QTOOKOXSJBPPRR-CABCVRRESA-N 1 0 344.459 2.382 20 70 EEIDRO CCC(=O)N1CC[C@H](C(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)C1 ZINC000161154387 159721205 /nfs/dbraw/zinc/72/12/05/159721205.db2.gz FLJRFIYIIDYSMG-MSOLQXFVSA-N 1 0 349.519 2.215 20 70 EEIDRO C[NH2+]C[C@H]1CCCN1C(=O)CN[C@H](c1ccccc1)C(F)(F)F ZINC000161204964 277284084 /nfs/dbraw/zinc/28/40/84/277284084.db2.gz KRGAMSMHHYPKSK-UKRRQHHQSA-N 1 0 329.366 2.090 20 70 EEIDRO CN(CC(C)(C)CN1CCOCC1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000159602224 311343300 /nfs/dbraw/zinc/34/33/00/311343300.db2.gz IJOCJETUFXQIBL-UHFFFAOYSA-N 1 0 347.503 2.179 20 70 EEIDRO CC(C)c1ccc(NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)cc1 ZINC000159960576 311348513 /nfs/dbraw/zinc/34/85/13/311348513.db2.gz GUCRHFRINVNMJP-UHFFFAOYSA-N 1 0 343.431 2.145 20 70 EEIDRO CCC[C@H]1CN(C(=O)NCc2cccc(F)c2)CC[N@@H+]1CCOC ZINC000160160054 311350477 /nfs/dbraw/zinc/35/04/77/311350477.db2.gz AMRYYJKLRVLDRK-KRWDZBQOSA-N 1 0 337.439 2.468 20 70 EEIDRO C[NH+]1CCC(CNC(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000160175460 311350944 /nfs/dbraw/zinc/35/09/44/311350944.db2.gz UEXMVGWGBVWJMK-QGZVFWFLSA-N 1 0 333.432 2.318 20 70 EEIDRO CC(C)[C@@H](CNC(=O)N1CCC[C@](C)(O)C1)[NH+]1CCC(C)CC1 ZINC000160284223 311352103 /nfs/dbraw/zinc/35/21/03/311352103.db2.gz IAOSMBAIDUUBJT-AEFFLSMTSA-N 1 0 325.497 2.299 20 70 EEIDRO C[NH+](C)[C@@H](CNC(=O)CCC(=O)NC1CCCC1)c1cccc(F)c1 ZINC000160370316 311353442 /nfs/dbraw/zinc/35/34/42/311353442.db2.gz KUAJORJVNWKYAT-KRWDZBQOSA-N 1 0 349.450 2.384 20 70 EEIDRO CCCN(Cc1c[nH]nc1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000161085080 311361684 /nfs/dbraw/zinc/36/16/84/311361684.db2.gz UILNMDNWORFVBH-MRXNPFEDSA-N 1 0 333.457 2.476 20 70 EEIDRO CCN(C(=O)NCc1nc(C)no1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000159984325 463312517 /nfs/dbraw/zinc/31/25/17/463312517.db2.gz CBLRYVPNQVGVSH-MRXNPFEDSA-N 1 0 343.431 2.184 20 70 EEIDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1cnn(C)c(=O)c1Cl ZINC000160244654 463324299 /nfs/dbraw/zinc/32/42/99/463324299.db2.gz PZBUNXUKEPQMTE-WFASDCNBSA-N 1 0 332.835 2.366 20 70 EEIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2cnc3c(cnn3Cc3ccccc3)c2)C1 ZINC000160777606 463370523 /nfs/dbraw/zinc/37/05/23/463370523.db2.gz FAPDQRBEUUPZSJ-QZTJIDSGSA-N 1 0 349.438 2.479 20 70 EEIDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1CCCN(CC(F)F)CC1 ZINC000160882277 463379554 /nfs/dbraw/zinc/37/95/54/463379554.db2.gz PFQXCCPDIDDRBG-LSDHHAIUSA-N 1 0 346.466 2.089 20 70 EEIDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cccc2[nH]c(=O)oc21 ZINC000160900502 463381035 /nfs/dbraw/zinc/38/10/35/463381035.db2.gz ZMWKWOUKORJGHC-JHJVBQTASA-N 1 0 331.416 2.217 20 70 EEIDRO CC[C@@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)c1cccs1 ZINC000160983691 463388237 /nfs/dbraw/zinc/38/82/37/463388237.db2.gz YWEZBGTXZPLQEH-CQSZACIVSA-N 1 0 331.441 2.204 20 70 EEIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2ccc(-c3n[nH]c(C4CC4)n3)cc2)C1 ZINC000161445460 463430993 /nfs/dbraw/zinc/43/09/93/463430993.db2.gz POJOUEXDKLRGJV-GJZGRUSLSA-N 1 0 325.416 2.349 20 70 EEIDRO Cc1ccc(S[C@H](C)C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000160071925 534217260 /nfs/dbraw/zinc/21/72/60/534217260.db2.gz ALKTZBYDNSLBEX-HZPDHXFCSA-N 1 0 336.501 2.439 20 70 EEIDRO O=C(Cc1c[nH]c2cc(Cl)ccc12)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160042079 237230002 /nfs/dbraw/zinc/23/00/02/237230002.db2.gz IMRYBVMDZSWPFB-OAHLLOKOSA-N 1 0 349.862 2.327 20 70 EEIDRO CN(C)c1cccc(CN(C)C(=O)Nc2ccn(CC[NH+](C)C)n2)c1 ZINC000160077233 237232145 /nfs/dbraw/zinc/23/21/45/237232145.db2.gz BYIXZYJSBTVHQB-UHFFFAOYSA-N 1 0 344.463 2.175 20 70 EEIDRO CCOc1ccccc1NC(=O)C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000159413690 206243597 /nfs/dbraw/zinc/24/35/97/206243597.db2.gz VZIWCUZIZDMKML-OAHLLOKOSA-N 1 0 347.459 2.118 20 70 EEIDRO COc1cccc(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)c1OC(F)F ZINC000159379078 206243129 /nfs/dbraw/zinc/24/31/29/206243129.db2.gz YKKZHGQBFLPXNY-INIZCTEOSA-N 1 0 326.343 2.122 20 70 EEIDRO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)C[C@@H]2CCC[C@@H]2O)cc1OC ZINC000159635170 206255814 /nfs/dbraw/zinc/25/58/14/206255814.db2.gz KNBYEDSJDVIXOQ-IPYPFGDCSA-N 1 0 336.432 2.124 20 70 EEIDRO O=C(NCCc1nc(-c2ccc(Cl)cc2)no1)[C@H]1CCC[NH2+]C1 ZINC000159651814 206257033 /nfs/dbraw/zinc/25/70/33/206257033.db2.gz JFLJJSJYYXVKJQ-LBPRGKRZSA-N 1 0 334.807 2.048 20 70 EEIDRO CN(C[C@@H]1CCC[C@@H]1O)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000159716639 206258883 /nfs/dbraw/zinc/25/88/83/206258883.db2.gz LQFUFTPVBUVHNW-XIRDDKMYSA-N 1 0 337.439 2.231 20 70 EEIDRO NC(=O)CC1CC[NH+](Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000159831901 206265867 /nfs/dbraw/zinc/26/58/67/206265867.db2.gz RLXYMVGJJIWZBP-UHFFFAOYSA-N 1 0 326.400 2.356 20 70 EEIDRO Cc1c(C(=O)NCCC[NH3+])cnn1-c1cccc(Br)c1 ZINC000160060578 206277081 /nfs/dbraw/zinc/27/70/81/206277081.db2.gz YOUIDVJQGBWFBH-UHFFFAOYSA-N 1 0 337.221 2.022 20 70 EEIDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1cc(-n2cccn2)nc(N)n1 ZINC000160240125 206286610 /nfs/dbraw/zinc/28/66/10/206286610.db2.gz VLTXZHKSLZQNJV-HOCLYGCPSA-N 1 0 349.442 2.177 20 70 EEIDRO [NH3+]C[C@@H]1CCCN1C(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1 ZINC000160380250 206294528 /nfs/dbraw/zinc/29/45/28/206294528.db2.gz ZTKOACXHIGDMSI-HNNXBMFYSA-N 1 0 345.830 2.113 20 70 EEIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2ccccc2c(=O)[nH]1 ZINC000160508942 206301783 /nfs/dbraw/zinc/30/17/83/206301783.db2.gz NXIMKNIWJAOXQH-OAHLLOKOSA-N 1 0 327.428 2.378 20 70 EEIDRO CCN1CCCC[C@@H]1C[NH2+][C@@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000161188934 206334169 /nfs/dbraw/zinc/33/41/69/206334169.db2.gz SRWCBIYBWCABIU-GOEBONIOSA-N 1 0 339.505 2.120 20 70 EEIDRO C[N@H+](CCO)C1CCN(C(=O)N[C@@H]2CCSc3ccccc32)CC1 ZINC000161226954 206335505 /nfs/dbraw/zinc/33/55/05/206335505.db2.gz SKZIHINTZPBCTH-MRXNPFEDSA-N 1 0 349.500 2.322 20 70 EEIDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCC[C@@H](CO)C2)CC1 ZINC000161296121 206340329 /nfs/dbraw/zinc/34/03/29/206340329.db2.gz BMPKWYWLPROGNZ-HZPDHXFCSA-N 1 0 346.475 2.021 20 70 EEIDRO CCN(CC)C(=O)COc1cccc(NC(=O)[C@]2(C)CCC[NH2+]C2)c1 ZINC000161352294 206343484 /nfs/dbraw/zinc/34/34/84/206343484.db2.gz MNZLODJNJFOGCH-LJQANCHMSA-N 1 0 347.459 2.262 20 70 EEIDRO CC[C@H]1Oc2cc([C@@H](C)NC(=O)[C@@H]3CCC[C@H]([NH3+])C3)ccc2NC1=O ZINC000161369874 206344707 /nfs/dbraw/zinc/34/47/07/206344707.db2.gz WRNMLGTURGGUFA-OEYIWLLWSA-N 1 0 345.443 2.491 20 70 EEIDRO CCC[C@@H](C)N1C[C@@H](C(=O)N2CCC([NH2+]CC3CC3)CC2)CC1=O ZINC000159823948 143803363 /nfs/dbraw/zinc/80/33/63/143803363.db2.gz UDORUZAIRJICQG-ZBFHGGJFSA-N 1 0 335.492 2.014 20 70 EEIDRO Cc1onc(-c2ccccn2)c1C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000161341379 159723533 /nfs/dbraw/zinc/72/35/33/159723533.db2.gz CZMCAQBRYBOFTA-CQSZACIVSA-N 1 0 326.400 2.355 20 70 EEIDRO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)c3cc(F)ccc3Cl)C[C@@H]21 ZINC000218582130 160216070 /nfs/dbraw/zinc/21/60/70/160216070.db2.gz DQKBBIPBAZRIBJ-SUZMYJTESA-N 1 0 332.828 2.227 20 70 EEIDRO CC(C)[C@H](CNC(=O)N[C@H]1CCc2n[nH]cc2C1)[NH+]1CCC(C)CC1 ZINC000160113165 276017609 /nfs/dbraw/zinc/01/76/09/276017609.db2.gz GOZGOJGKVNEXDY-WMZOPIPTSA-N 1 0 347.507 2.323 20 70 EEIDRO CN1CCN(c2ncc(C[NH2+][C@H]3CCCc4sccc43)cn2)CC1 ZINC000160966415 277114758 /nfs/dbraw/zinc/11/47/58/277114758.db2.gz KYZUHPQQJFSOKG-INIZCTEOSA-N 1 0 343.500 2.457 20 70 EEIDRO CC[C@@H]1COCCN1C(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000159888792 311347324 /nfs/dbraw/zinc/34/73/24/311347324.db2.gz SXBAJXKMNHGADR-CGTJXYLNSA-N 1 0 331.460 2.470 20 70 EEIDRO CC(C)[N@H+](C)CCNC(=O)c1ccccc1CSc1nc[nH]n1 ZINC000160180090 311350815 /nfs/dbraw/zinc/35/08/15/311350815.db2.gz KZYMTGUPJKKPOP-UHFFFAOYSA-N 1 0 333.461 2.167 20 70 EEIDRO C[N@H+](CC(=O)N[C@@H]1C[C@@H]1c1c(F)cccc1F)[C@@H]1CCSC1 ZINC000160295574 311352740 /nfs/dbraw/zinc/35/27/40/311352740.db2.gz MYHATKXQUOYYOG-UHIISALHSA-N 1 0 326.412 2.374 20 70 EEIDRO C[NH+](C)Cc1ccc(C(=O)NCc2ccc(-n3cncn3)cc2)cc1 ZINC000160320698 311352920 /nfs/dbraw/zinc/35/29/20/311352920.db2.gz AMCLUIXDJPEYGK-UHFFFAOYSA-N 1 0 335.411 2.259 20 70 EEIDRO CC[N@@H+]1CCCN(C(=O)NC[C@H](c2ccccc2OC)N(C)C)CC1 ZINC000159533206 463291295 /nfs/dbraw/zinc/29/12/95/463291295.db2.gz KDXQRRGWFUEOFK-QGZVFWFLSA-N 1 0 348.491 2.035 20 70 EEIDRO CC(C)OC(=O)CCCNC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000159662205 463297050 /nfs/dbraw/zinc/29/70/50/463297050.db2.gz MLIHTOFCGTZKFC-OAHLLOKOSA-N 1 0 327.469 2.138 20 70 EEIDRO CCCCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-n2c(C)c[nH]c2=O)cc1 ZINC000159849628 463307801 /nfs/dbraw/zinc/30/78/01/463307801.db2.gz AFKIQJXURWUIOR-CABCVRRESA-N 1 0 344.459 2.429 20 70 EEIDRO CCC(O)(CC)CNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000159989679 463314802 /nfs/dbraw/zinc/31/48/02/463314802.db2.gz HFIXUCPGVFBCLF-DOTOQJQBSA-N 1 0 333.476 2.357 20 70 EEIDRO CC(C)CC(=O)NCCC(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000160674782 463361718 /nfs/dbraw/zinc/36/17/18/463361718.db2.gz AVZTXPNFDVZMNT-HOTGVXAUSA-N 1 0 325.497 2.023 20 70 EEIDRO Cc1ccc2c(CC(=O)NCC3CC[NH+](CCO)CC3)coc2c1C ZINC000160721484 463364965 /nfs/dbraw/zinc/36/49/65/463364965.db2.gz BWHSMBNTBAYIMG-UHFFFAOYSA-N 1 0 344.455 2.413 20 70 EEIDRO CCCc1c(C(=O)N2CC[C@H]([NH2+]C)C2)cnn1Cc1ccccc1 ZINC000160794822 463371995 /nfs/dbraw/zinc/37/19/95/463371995.db2.gz OZSPGQZUTQDATR-INIZCTEOSA-N 1 0 326.444 2.318 20 70 EEIDRO CC[NH2+]CC1CCN(C(=O)C2CCN(c3ccc(C)cn3)CC2)CC1 ZINC000161002190 463389357 /nfs/dbraw/zinc/38/93/57/463389357.db2.gz KJFDSFWDXBPSRT-UHFFFAOYSA-N 1 0 344.503 2.455 20 70 EEIDRO C[C@H](NC(=O)NCC1(Cc2ccccc2)CC1)[C@H]1CN(C)CCO1 ZINC000159547227 539516865 /nfs/dbraw/zinc/51/68/65/539516865.db2.gz CUNRHCSFXYZHIG-DOTOQJQBSA-N 1 0 331.460 2.028 20 70 EEIDRO COc1ccccc1NC(=O)[C@@H](C)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161338441 539527711 /nfs/dbraw/zinc/52/77/11/539527711.db2.gz STVOJHBCPDGMDN-OAHLLOKOSA-N 1 0 340.427 2.239 20 70 EEIDRO CSc1cccc(NC(=O)C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)c1 ZINC000159477013 206247925 /nfs/dbraw/zinc/24/79/25/206247925.db2.gz SCASCEYDAXSTHF-CQSZACIVSA-N 1 0 349.500 2.441 20 70 EEIDRO CC[N@@H+]1CCCN(C(=O)NCc2ccc(-n3ccnc3)c(F)c2)CC1 ZINC000159754322 206261678 /nfs/dbraw/zinc/26/16/78/206261678.db2.gz FECXXCSLUOQKPD-UHFFFAOYSA-N 1 0 345.422 2.249 20 70 EEIDRO [NH3+]Cc1ccc(C(=O)NCCCC(=O)N2Cc3ccccc3C2)cc1 ZINC000159803872 206263248 /nfs/dbraw/zinc/26/32/48/206263248.db2.gz VBRLHIXIJAYPFR-UHFFFAOYSA-N 1 0 337.423 2.198 20 70 EEIDRO CCOc1cc(CNC(=O)N2CCC[N@H+](CC)CC2)ccc1OC ZINC000159862477 206266547 /nfs/dbraw/zinc/26/65/47/206266547.db2.gz POMYVWQHGCSSPA-UHFFFAOYSA-N 1 0 335.448 2.331 20 70 EEIDRO CC(=O)c1cccc(OCC(=O)N2CCC([NH2+]CC3CC3)CC2)c1 ZINC000159849132 206267558 /nfs/dbraw/zinc/26/75/58/206267558.db2.gz STODOOXSQIJIMQ-UHFFFAOYSA-N 1 0 330.428 2.259 20 70 EEIDRO CC[C@@H](C(=O)NCCc1ccc(OC)c(OC(F)F)c1)[NH+](C)C ZINC000160052519 206277825 /nfs/dbraw/zinc/27/78/25/206277825.db2.gz MMTIITCSQQNHTF-LBPRGKRZSA-N 1 0 330.375 2.296 20 70 EEIDRO C[C@@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1)C1CC1 ZINC000160112981 206280858 /nfs/dbraw/zinc/28/08/58/206280858.db2.gz XILZOVIFFHBOAM-KGLIPLIRSA-N 1 0 338.473 2.157 20 70 EEIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@@H]1C[C@@H]1c1ccc(F)cc1F ZINC000160366379 206293407 /nfs/dbraw/zinc/29/34/07/206293407.db2.gz SUKWNBPFFCYTHZ-NUEKZKHPSA-N 1 0 338.398 2.031 20 70 EEIDRO COC1(C(=O)N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)CC[NH2+]CC1 ZINC000160392055 206294063 /nfs/dbraw/zinc/29/40/63/206294063.db2.gz WURJWFDYHUBOOK-HNNXBMFYSA-N 1 0 348.418 2.016 20 70 EEIDRO COc1ccccc1O[C@@H](C)CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161156171 206330594 /nfs/dbraw/zinc/33/05/94/206330594.db2.gz VHYZFMMMEDQFQZ-HNSVSWJLSA-N 1 0 332.444 2.499 20 70 EEIDRO CCC[C@H](O)CNC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000161210904 206335497 /nfs/dbraw/zinc/33/54/97/206335497.db2.gz PDXSLVSCYOXSKW-PBHICJAKSA-N 1 0 334.464 2.067 20 70 EEIDRO CCN(c1ccccc1)c1ccc(CNC(=O)[C@H]2C[NH2+]CCO2)cc1 ZINC000161211271 206335953 /nfs/dbraw/zinc/33/59/53/206335953.db2.gz UHJYTZMMPUHLKX-LJQANCHMSA-N 1 0 339.439 2.449 20 70 EEIDRO CCC[C@@H](C(=O)N1CCN(c2cc(C)nc(C(C)C)n2)CC1)[NH+](C)C ZINC000161338492 206341622 /nfs/dbraw/zinc/34/16/22/206341622.db2.gz QAMCJMMCJLRYEI-INIZCTEOSA-N 1 0 347.507 2.287 20 70 EEIDRO CC[C@@H]1Oc2cc([C@@H](C)NC(=O)[C@@H]3CCC[C@H]([NH3+])C3)ccc2NC1=O ZINC000161369995 206344073 /nfs/dbraw/zinc/34/40/73/206344073.db2.gz WRNMLGTURGGUFA-UYHMYPTGSA-N 1 0 345.443 2.491 20 70 EEIDRO C[C@](O)(CNc1cc(-n2cccn2)nc(N)[nH+]1)c1ccccc1Cl ZINC000160195287 225359007 /nfs/dbraw/zinc/35/90/07/225359007.db2.gz AQTZUWXHDWWZSH-INIZCTEOSA-N 1 0 344.806 2.218 20 70 EEIDRO CC[C@@H](C(=O)N[C@@H](C)C(=O)Nc1cccc(N2CCCC2)c1)[NH+](C)C ZINC000159822086 311346389 /nfs/dbraw/zinc/34/63/89/311346389.db2.gz NFPPOCAZUMDUTB-YOEHRIQHSA-N 1 0 346.475 2.070 20 70 EEIDRO CC[C@H](C(=O)N[C@H](C)C(=O)Nc1cccc(N2CCCC2)c1)[NH+](C)C ZINC000159822483 311346467 /nfs/dbraw/zinc/34/64/67/311346467.db2.gz NFPPOCAZUMDUTB-RHSMWYFYSA-N 1 0 346.475 2.070 20 70 EEIDRO CC(=O)N[C@H](C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)C(C)C ZINC000161481861 311366603 /nfs/dbraw/zinc/36/66/03/311366603.db2.gz QGSQLJUKAVENOA-ABHNRTSZSA-N 1 0 337.508 2.306 20 70 EEIDRO C[C@@H]1CCC[C@](CNC(=O)N(C)C[C@@H]2CCC[C@@H]2O)([NH+](C)C)C1 ZINC000159884881 463308720 /nfs/dbraw/zinc/30/87/20/463308720.db2.gz ZODBWDYZBKWMSX-CVYDXHPNSA-N 1 0 325.497 2.299 20 70 EEIDRO CC[N@H+](CCNC(=O)Nc1ccc(C(C)(C)C(N)=O)cc1)C1CC1 ZINC000160086843 463318463 /nfs/dbraw/zinc/31/84/63/463318463.db2.gz ACKGKDSYKOWONS-UHFFFAOYSA-N 1 0 332.448 2.055 20 70 EEIDRO C[C@H]1C[C@@H](NC(=O)N(C)C[C@@H]2CCOC2)C[N@@H+]1Cc1ccccc1 ZINC000160278484 463325360 /nfs/dbraw/zinc/32/53/60/463325360.db2.gz YEQXDUORYQHAJE-RYQLBKOJSA-N 1 0 331.460 2.327 20 70 EEIDRO C[C@H]1Sc2ccc(C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)cc2NC1=O ZINC000160559972 463350193 /nfs/dbraw/zinc/35/01/93/463350193.db2.gz UHEJLPFYHIYGKR-RTXFEEFZSA-N 1 0 331.441 2.086 20 70 EEIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(-n2cccc2)cc1 ZINC000160694237 463363556 /nfs/dbraw/zinc/36/35/56/463363556.db2.gz HRXUDHZZSZPWRW-GOSISDBHSA-N 1 0 327.428 2.054 20 70 EEIDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)N[C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)CC[C@@H]21 ZINC000161073384 463397235 /nfs/dbraw/zinc/39/72/35/463397235.db2.gz GWNRAQXNOCMBIF-HMDCTGQHSA-N 1 0 333.476 2.070 20 70 EEIDRO COc1ccc(CCC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c(OC)c1OC ZINC000161292568 463416854 /nfs/dbraw/zinc/41/68/54/463416854.db2.gz CNTQETCQJFLRPB-KGLIPLIRSA-N 1 0 336.432 2.031 20 70 EEIDRO CC[C@@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)NC)c1)[C@H]1CCOC1 ZINC000161476464 463433358 /nfs/dbraw/zinc/43/33/58/463433358.db2.gz QYPREYNCHXWALT-DUVNUKRYSA-N 1 0 326.462 2.060 20 70 EEIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cccc(-n2cccc2)c1 ZINC000159953340 534538053 /nfs/dbraw/zinc/53/80/53/534538053.db2.gz ZVRLZZUBBOCIQY-GOSISDBHSA-N 1 0 327.428 2.054 20 70 EEIDRO COc1ccc(C(=O)N(C)[C@H](C[NH3+])C2CC2)cc1Br ZINC000159883649 536702005 /nfs/dbraw/zinc/70/20/05/536702005.db2.gz QNNIFRQGDPGBIP-GFCCVEGCSA-N 1 0 327.222 2.267 20 70 EEIDRO C[NH+](C)[C@@H](CNC(=O)N[C@H](CCO)C(C)(C)C)Cc1ccccc1 ZINC000161258776 282176484 /nfs/dbraw/zinc/17/64/84/282176484.db2.gz WLZJVZFJHAUIAE-IAGOWNOFSA-N 1 0 335.492 2.256 20 70 EEIDRO COc1ccc(C(=O)N2CCC([NH2+]CC3CC3)CC2)c(OC)c1OC ZINC000159810873 201410975 /nfs/dbraw/zinc/41/09/75/201410975.db2.gz ULNQDVPVCWLIIR-UHFFFAOYSA-N 1 0 348.443 2.317 20 70 EEIDRO COCCC[NH+]1CCC(Nc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000159375522 206242776 /nfs/dbraw/zinc/24/27/76/206242776.db2.gz QBVZDLFRDRNEEX-UHFFFAOYSA-N 1 0 326.462 2.003 20 70 EEIDRO C[C@H]([NH3+])C(=O)NCCSCCOc1cccc(Br)c1 ZINC000159523789 206249828 /nfs/dbraw/zinc/24/98/28/206249828.db2.gz SWWWGRWMFGGBKJ-JTQLQIEISA-N 1 0 347.278 2.025 20 70 EEIDRO C[C@H](CCCO)NC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000159577089 206253112 /nfs/dbraw/zinc/25/31/12/206253112.db2.gz XLBUGNSBJLCOCL-CABCVRRESA-N 1 0 334.464 2.067 20 70 EEIDRO CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1ccc(C)nc1)CC(C)C ZINC000159942212 206271541 /nfs/dbraw/zinc/27/15/41/206271541.db2.gz DCMMSWJKVRVLHX-INIZCTEOSA-N 1 0 334.464 2.201 20 70 EEIDRO Cc1c(C(=O)NCCC[NH3+])cnn1-c1cccc(C(F)(F)F)c1 ZINC000160120074 206280405 /nfs/dbraw/zinc/28/04/05/206280405.db2.gz UMWGEXNKFIXYID-UHFFFAOYSA-N 1 0 326.322 2.278 20 70 EEIDRO CC(C)CC(=O)NCCC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000160186422 206283587 /nfs/dbraw/zinc/28/35/87/206283587.db2.gz LLQAZYYXOKVFJN-UHFFFAOYSA-N 1 0 345.487 2.451 20 70 EEIDRO C[C@H](CNC(=O)c1ccc(C(=O)NC2CC2)cc1)C[NH+]1CCCC1 ZINC000160316795 206289178 /nfs/dbraw/zinc/28/91/78/206289178.db2.gz LWBDIKLAQXYPGB-CQSZACIVSA-N 1 0 329.444 2.041 20 70 EEIDRO C[C@@H](Oc1cccc(Br)c1)C(=O)N1CCC[C@H]1C[NH3+] ZINC000160323488 206290130 /nfs/dbraw/zinc/29/01/30/206290130.db2.gz URSSEBSKQOZCLE-PWSUYJOCSA-N 1 0 327.222 2.166 20 70 EEIDRO CSCC[C@H]([NH3+])C(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000160969135 206321444 /nfs/dbraw/zinc/32/14/44/206321444.db2.gz FEFQCANVBICXHZ-RYUDHWBXSA-N 1 0 337.272 2.223 20 70 EEIDRO C[N@H+](CCCNC(=O)NOCc1cccnc1)Cc1ccccc1 ZINC000161026210 206323466 /nfs/dbraw/zinc/32/34/66/206323466.db2.gz HQXLUOZCVXRTSO-UHFFFAOYSA-N 1 0 328.416 2.335 20 70 EEIDRO CSCC[C@H]([NH3+])C(=O)Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1 ZINC000161041763 206324685 /nfs/dbraw/zinc/32/46/85/206324685.db2.gz XVSZHYGSRRQQKF-JYJNAYRXSA-N 1 0 338.473 2.388 20 70 EEIDRO CCCN(C)c1ccc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000160590465 206304778 /nfs/dbraw/zinc/30/47/78/206304778.db2.gz DLDZSYCOUQKFAW-GOSISDBHSA-N 1 0 333.476 2.109 20 70 EEIDRO Cc1c(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)cnn1C1CCOCC1 ZINC000160288521 225381318 /nfs/dbraw/zinc/38/13/18/225381318.db2.gz XQUBWMMKOHFWNC-INIZCTEOSA-N 1 0 348.491 2.393 20 70 EEIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc3c(c1)C(C)(C)C(=O)N3)CC2 ZINC000160358854 274853946 /nfs/dbraw/zinc/85/39/46/274853946.db2.gz YCTSMGYQDDHNFQ-FZMZJTMJSA-N 1 0 339.443 2.482 20 70 EEIDRO COC(=O)c1ccc(C)c(NC(=O)[C@H](C)[N@H+](C)C[C@@H]2CCC[C@@H]2O)c1 ZINC000159507535 311342005 /nfs/dbraw/zinc/34/20/05/311342005.db2.gz OMCKDBJHTMGUDV-QRTARXTBSA-N 1 0 348.443 2.201 20 70 EEIDRO CCC(O)(CC)CNC(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160081820 311349676 /nfs/dbraw/zinc/34/96/76/311349676.db2.gz SLOPDYWHARTLOP-WBVHZDCISA-N 1 0 333.476 2.500 20 70 EEIDRO CCCN(C(=O)[C@H](C)[N@H+](CC)C[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 ZINC000160564372 311355518 /nfs/dbraw/zinc/35/55/18/311355518.db2.gz BAKXGNSEWOIREM-HRCADAONSA-N 1 0 346.537 2.169 20 70 EEIDRO CCc1nn(C)c(CC)c1CNC(=O)NC[C@H](C(C)C)[NH+]1CCCC1 ZINC000160817371 311358600 /nfs/dbraw/zinc/35/86/00/311358600.db2.gz LADYGYWHUFGSPZ-GOSISDBHSA-N 1 0 349.523 2.465 20 70 EEIDRO CCOC(=O)C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000160076256 463317795 /nfs/dbraw/zinc/31/77/95/463317795.db2.gz WUCJSDWHZKZBSD-NVXWUHKLSA-N 1 0 332.444 2.357 20 70 EEIDRO CC[N@H+](CCNC(=O)CCN1c2ccccc2CCC1=O)C(C)C ZINC000160175958 463321746 /nfs/dbraw/zinc/32/17/46/463321746.db2.gz RTRZJLMMQSHUIH-UHFFFAOYSA-N 1 0 331.460 2.202 20 70 EEIDRO CC[C@H](O)CCNC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000160749164 463366772 /nfs/dbraw/zinc/36/67/72/463366772.db2.gz LBPNNLLBZAJCGR-UONOGXRCSA-N 1 0 325.478 2.345 20 70 EEIDRO CC[NH2+]CC1CCN(C(=O)[C@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 ZINC000161150323 463404599 /nfs/dbraw/zinc/40/45/99/463404599.db2.gz ICZRKFQJHRCTLQ-INIZCTEOSA-N 1 0 337.508 2.119 20 70 EEIDRO [NH3+][C@H]1CCC[C@H](NC(=O)CCCNC(=O)c2ccc(Cl)cc2)C1 ZINC000161170629 463406637 /nfs/dbraw/zinc/40/66/37/463406637.db2.gz SOMUJIDVTISQKK-GJZGRUSLSA-N 1 0 337.851 2.236 20 70 EEIDRO CC[C@@H]1Oc2cc([C@H](C)NC(=O)c3ccc(C[NH3+])o3)ccc2NC1=O ZINC000161373231 463426493 /nfs/dbraw/zinc/42/64/93/463426493.db2.gz ULALJJJQLKTHTE-HZMBPMFUSA-N 1 0 343.383 2.339 20 70 EEIDRO CCC(CC)(CNC(=O)NC[C@H]1CC[N@H+](CC(C)C)C1)C(=O)OC ZINC000160251395 528676328 /nfs/dbraw/zinc/67/63/28/528676328.db2.gz GLUWAJBVTREABM-OAHLLOKOSA-N 1 0 341.496 2.243 20 70 EEIDRO Cc1cccc(OCC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1 ZINC000160179670 539520338 /nfs/dbraw/zinc/52/03/38/539520338.db2.gz HPJJKUHDBVDMPB-RBUKOAKNSA-N 1 0 346.471 2.258 20 70 EEIDRO O=C(CCc1cc(Cl)cs1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160086562 237232861 /nfs/dbraw/zinc/23/28/61/237232861.db2.gz FOTSDYGDOHCUEI-CYBMUJFWSA-N 1 0 330.881 2.297 20 70 EEIDRO CCOc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)cc1 ZINC000159429845 206246111 /nfs/dbraw/zinc/24/61/11/206246111.db2.gz QEDDVCVSQOTTPL-OAHLLOKOSA-N 1 0 347.459 2.118 20 70 EEIDRO CCOc1cccc(C[N@@H+]2CCCC[C@H]2CCNS(C)(=O)=O)c1 ZINC000159368319 206241770 /nfs/dbraw/zinc/24/17/70/206241770.db2.gz PWJYLDLOFGOLEJ-INIZCTEOSA-N 1 0 340.489 2.379 20 70 EEIDRO O=C(NCC[NH2+]C1CCCCCC1)c1ccc2c(c1)OCC(=O)N2 ZINC000159716449 206259429 /nfs/dbraw/zinc/25/94/29/206259429.db2.gz JKAOKLWAUUPNSV-UHFFFAOYSA-N 1 0 331.416 2.060 20 70 EEIDRO C[C@@H]([NH2+][C@H]1CCCSC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000159520619 206249588 /nfs/dbraw/zinc/24/95/88/206249588.db2.gz JWMWHFDVBGBHIT-OCCSQVGLSA-N 1 0 328.503 2.483 20 70 EEIDRO CSCC[C@H]([NH3+])C(=O)NCc1ccc(Br)cc1C ZINC000159546149 206251132 /nfs/dbraw/zinc/25/11/32/206251132.db2.gz MVEALBXRIWTAHZ-LBPRGKRZSA-N 1 0 331.279 2.454 20 70 EEIDRO CCN1CCN([C@H]2CC[N@H+](CCC(=O)c3ccc(C)cc3)C2)CC1 ZINC000159539940 206251952 /nfs/dbraw/zinc/25/19/52/206251952.db2.gz UTZQCEBOLJWUIH-IBGZPJMESA-N 1 0 329.488 2.280 20 70 EEIDRO C[C@H](OCCCNC(=O)C[N@H+](C)C[C@@H]1CCC[C@@H]1O)c1ccccc1 ZINC000159864885 206266290 /nfs/dbraw/zinc/26/62/90/206266290.db2.gz RDBBHMDTWZSBOR-WDSOQIARSA-N 1 0 348.487 2.363 20 70 EEIDRO C[C@H](CNC(=O)[C@@H](C)Cc1ccccc1F)C[NH+]1CCN(C)CC1 ZINC000160108266 206278741 /nfs/dbraw/zinc/27/87/41/206278741.db2.gz NHJNKSCKBSXSJO-CVEARBPZSA-N 1 0 335.467 2.004 20 70 EEIDRO C[C@@H](CCc1ccccc1F)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160413678 206296347 /nfs/dbraw/zinc/29/63/47/206296347.db2.gz QUNCMMQNXMSYPU-DOTOQJQBSA-N 1 0 336.451 2.357 20 70 EEIDRO C[C@@]1(O)CCCN(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000160481016 206298901 /nfs/dbraw/zinc/29/89/01/206298901.db2.gz PMILRVHQKMERSH-IEBWSBKVSA-N 1 0 331.460 2.207 20 70 EEIDRO CNC(=O)c1ccc(/C=C/C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)cc1 ZINC000160504023 206300697 /nfs/dbraw/zinc/30/06/97/206300697.db2.gz YMAZUFLJMQSZKO-VEGGFIAOSA-N 1 0 343.471 2.296 20 70 EEIDRO CCc1ccc([C@@H](C)[NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)cc1 ZINC000160960520 206320736 /nfs/dbraw/zinc/32/07/36/206320736.db2.gz MGXJLVYVQKVRIP-CQSZACIVSA-N 1 0 339.439 2.315 20 70 EEIDRO COc1ccc(CNC(=O)C[NH2+][C@H](C)c2cnn(C(C)C)c2)cc1 ZINC000161011161 206324160 /nfs/dbraw/zinc/32/41/60/206324160.db2.gz KBBBUXDRAVIMCV-CQSZACIVSA-N 1 0 330.432 2.440 20 70 EEIDRO O=C(Cc1cccc(F)c1)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160614145 206305972 /nfs/dbraw/zinc/30/59/72/206305972.db2.gz NDZOVFQJRXBODH-ROUUACIJSA-N 1 0 334.435 2.252 20 70 EEIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(CNC(=O)C(C)(C)C)cc1 ZINC000161207665 206333764 /nfs/dbraw/zinc/33/37/64/206333764.db2.gz DPZOBCOUQVNQMT-INIZCTEOSA-N 1 0 331.460 2.173 20 70 EEIDRO CC(C)C[NH+]1CCC(NC(=O)c2ccc(C(=O)NC3CC3)cc2)CC1 ZINC000161366463 206344935 /nfs/dbraw/zinc/34/49/35/206344935.db2.gz IXJLGALOXIGMPH-UHFFFAOYSA-N 1 0 343.471 2.429 20 70 EEIDRO COc1ccc(N(C)C(=O)c2cn(C3CC[NH2+]CC3)nn2)cc1Cl ZINC000161440018 206348559 /nfs/dbraw/zinc/34/85/59/206348559.db2.gz HTLHTCSWVLZZIU-UHFFFAOYSA-N 1 0 349.822 2.141 20 70 EEIDRO CCCOc1cccc(CC(=O)NC[C@H](C(C)C)N2CCOCC2)c1 ZINC000161472298 206349870 /nfs/dbraw/zinc/34/98/70/206349870.db2.gz KYIFIYQSMYLUHE-LJQANCHMSA-N 1 0 348.487 2.491 20 70 EEIDRO Cc1c(/C=C/C(=O)N(CC[NH+](C)C)Cc2ccccc2)cnn1C ZINC000161497434 206353951 /nfs/dbraw/zinc/35/39/51/206353951.db2.gz RWMKHHBLRIGSMA-ZHACJKMWSA-N 1 0 326.444 2.332 20 70 EEIDRO COCCN(C(=O)[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(OC)c(OC)c1 ZINC000160970601 292397752 /nfs/dbraw/zinc/39/77/52/292397752.db2.gz GPHBTNGTHKWFTN-ZIAGYGMSSA-N 1 0 336.432 2.201 20 70 EEIDRO C[C@@H](c1ncc(C(C)(C)C)o1)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000159421095 287161365 /nfs/dbraw/zinc/16/13/65/287161365.db2.gz MJJRWHYBUYQBQX-DZGCQCFKSA-N 1 0 348.491 2.447 20 70 EEIDRO C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCN(C(=O)c2ccc(C)cc2)C1 ZINC000161337096 277284778 /nfs/dbraw/zinc/28/47/78/277284778.db2.gz MIKOTIIQPLJMRN-ZWKOTPCHSA-N 1 0 343.471 2.058 20 70 EEIDRO COc1ccc([C@@H](C)[C@H](C)[NH2+]C2CCN(CC(=O)N(C)C)CC2)cc1 ZINC000160408978 295210306 /nfs/dbraw/zinc/21/03/06/295210306.db2.gz FXRZAUALTVBNMV-HOTGVXAUSA-N 1 0 347.503 2.329 20 70 EEIDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)CS(=O)(=O)C(C)(C)C)C1 ZINC000160648034 311357072 /nfs/dbraw/zinc/35/70/72/311357072.db2.gz QZQAIKBNJGJYJG-HUUCEWRRSA-N 1 0 346.537 2.074 20 70 EEIDRO CCC[C@@H]1CN(C(=O)NCCOC2CCCC2)CC[N@@H+]1CCOC ZINC000160662252 311357323 /nfs/dbraw/zinc/35/73/23/311357323.db2.gz FBCLFGZTGQAZRM-MRXNPFEDSA-N 1 0 341.496 2.088 20 70 EEIDRO CCOC(=O)CCc1ccc(NC(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000159643301 463296258 /nfs/dbraw/zinc/29/62/58/463296258.db2.gz XZGADLRDWZNJKG-INIZCTEOSA-N 1 0 333.432 2.350 20 70 EEIDRO CC1(C)CN(C(=O)Cc2ccc(Br)c(F)c2)CC[NH2+]1 ZINC000160348309 463329814 /nfs/dbraw/zinc/32/98/14/463329814.db2.gz SWLLSLQATCZTTR-UHFFFAOYSA-N 1 0 329.213 2.341 20 70 EEIDRO CCCc1c(C(=O)N2CC[C@H]([NH2+]C)C2)nnn1-c1cccc(Cl)c1 ZINC000160584457 463353121 /nfs/dbraw/zinc/35/31/21/463353121.db2.gz MCVIBFROROSMTR-ZDUSSCGKSA-N 1 0 347.850 2.307 20 70 EEIDRO CC(C)CC(=O)NCCC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000160653228 463359358 /nfs/dbraw/zinc/35/93/58/463359358.db2.gz NYJYKLKUYYMDHE-UHFFFAOYSA-N 1 0 325.497 2.167 20 70 EEIDRO O=C(Cc1ccc(Cl)cc1Cl)NCC1CC[NH+](CCO)CC1 ZINC000160663567 463360448 /nfs/dbraw/zinc/36/04/48/463360448.db2.gz SNFOMGCELKBHTM-UHFFFAOYSA-N 1 0 345.270 2.356 20 70 EEIDRO COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C(=O)CC[NH2+]C(C)C ZINC000160918779 463381417 /nfs/dbraw/zinc/38/14/17/463381417.db2.gz ATQSZFRVDBQOEU-MRXNPFEDSA-N 1 0 347.459 2.321 20 70 EEIDRO CC(C)(C)C(=O)N1CCC(C[NH+]2CCC(Cn3ccnn3)CC2)CC1 ZINC000161011454 463390735 /nfs/dbraw/zinc/39/07/35/463390735.db2.gz XSDZIECWWIDRBE-UHFFFAOYSA-N 1 0 347.507 2.275 20 70 EEIDRO C[N@H+](CCCO)C1CCN(Cc2noc(C3CCCCC3)n2)CC1 ZINC000161036391 463393006 /nfs/dbraw/zinc/39/30/06/463393006.db2.gz RIXDOMGMECZPMN-UHFFFAOYSA-N 1 0 336.480 2.396 20 70 EEIDRO CO[C@@H]1CCN(C(=O)c2ccc(Br)cc2)[C@@H](C[NH3+])C1 ZINC000161092934 463398487 /nfs/dbraw/zinc/39/84/87/463398487.db2.gz LTTRWYPFHAZVPQ-CHWSQXEVSA-N 1 0 327.222 2.027 20 70 EEIDRO CC(=O)N[C@H](CC(=O)N[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000161139142 463403326 /nfs/dbraw/zinc/40/33/26/463403326.db2.gz XLZYNZFOQZGSTO-ARFHVFGLSA-N 1 0 337.851 2.293 20 70 EEIDRO C[C@@H](NC(=O)NCC1(Cc2ccccc2)CC1)[C@@H]1CN(C)CCO1 ZINC000159547100 539516830 /nfs/dbraw/zinc/51/68/30/539516830.db2.gz CUNRHCSFXYZHIG-WBVHZDCISA-N 1 0 331.460 2.028 20 70 EEIDRO O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000161173956 539525227 /nfs/dbraw/zinc/52/52/27/539525227.db2.gz JOFWDJDREBCUGN-TWMKSMIVSA-N 1 0 333.476 2.214 20 70 EEIDRO O=C(CN1CCN(c2cc[nH+]cc2)CC1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000161365848 539527581 /nfs/dbraw/zinc/52/75/81/539527581.db2.gz PEKISARCZLWWOZ-MJGOQNOKSA-N 1 0 342.487 2.385 20 70 EEIDRO O=C(COc1ccc(C(F)(F)F)cc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160034202 237229742 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CCc1nn(C)c(Cl)c1C(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000160459762 206298466 /nfs/dbraw/zinc/29/84/66/206298466.db2.gz VYVVVFQZKLEVBV-NWDGAFQWSA-N 1 0 326.872 2.486 20 70 EEIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cnn(Cc3ccccc3)c1)CC2 ZINC000160510812 206301753 /nfs/dbraw/zinc/30/17/53/206301753.db2.gz RMYPSTAYMOIXNB-KSSFIOAISA-N 1 0 336.443 2.497 20 70 EEIDRO COc1ccc([C@H](C)CC(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000160652810 206307713 /nfs/dbraw/zinc/30/77/13/206307713.db2.gz FVXNNUFVEDIMHM-NVXWUHKLSA-N 1 0 334.460 2.152 20 70 EEIDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2cccc(-n3ccnn3)c2)C1 ZINC000160852650 206317255 /nfs/dbraw/zinc/31/72/55/206317255.db2.gz DQVPAOXIZZBTNF-MRXNPFEDSA-N 1 0 341.459 2.365 20 70 EEIDRO C[NH+](C)CCN(Cc1ccco1)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000161040750 206324613 /nfs/dbraw/zinc/32/46/13/206324613.db2.gz GPVBGJVGXDPLMW-ZACQAIPSSA-N 1 0 347.459 2.310 20 70 EEIDRO COc1ccc(OC)c(CN2CC[NH+](CC3=CCCOC3)CC2)c1 ZINC000161046153 206325273 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CC1(C)CCC(C(=O)Nc2cnn(CCN3CCOCC3)c2)CC1 ZINC000159976840 463313358 /nfs/dbraw/zinc/31/33/58/463313358.db2.gz DNIIMJKBWFTNIU-UHFFFAOYSA-N 1 0 334.464 2.370 20 70 EEIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CN1c2ccccc2CCC1=O ZINC000160551326 463349421 /nfs/dbraw/zinc/34/94/21/463349421.db2.gz HTAGUGKDSHVOBI-QGZVFWFLSA-N 1 0 343.471 2.202 20 70 EEIDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000160914383 463381970 /nfs/dbraw/zinc/38/19/70/463381970.db2.gz KOQFUCWFRPQUBX-YTQUADARSA-N 1 0 345.487 2.454 20 70 EEIDRO COC(=O)c1csc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000161101879 463399956 /nfs/dbraw/zinc/39/99/56/463399956.db2.gz FEGFPPGBQJWVQF-AAEUAGOBSA-N 1 0 337.445 2.483 20 70 EEIDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NCc2ccccc2CO)C1 ZINC000161134184 463403450 /nfs/dbraw/zinc/40/34/50/463403450.db2.gz GJBGLQICTOJNNA-HZPDHXFCSA-N 1 0 333.476 2.346 20 70 EEIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)C1 ZINC000161273407 463414971 /nfs/dbraw/zinc/41/49/71/463414971.db2.gz MPYFHDYVAYQUPL-KBPBESRZSA-N 1 0 342.443 2.444 20 70 EEIDRO c1cc2c(cc1C[N@@H+]1CCC[C@H](c3nnc4n3CCC4)C1)OCCO2 ZINC000161431219 463429873 /nfs/dbraw/zinc/42/98/73/463429873.db2.gz GDMHPIMJHGZBNQ-HNNXBMFYSA-N 1 0 340.427 2.375 20 70 EEIDRO CC[C@@H](C)Oc1ccc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000160360815 529383988 /nfs/dbraw/zinc/38/39/88/529383988.db2.gz ABKXUTADSXNCAD-NVXWUHKLSA-N 1 0 334.460 2.441 20 70 EEIDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](CCO)c2ccccc2)cc1 ZINC000161094277 530032530 /nfs/dbraw/zinc/03/25/30/530032530.db2.gz NSTVJGMWXDEGJO-RDTXWAMCSA-N 1 0 348.468 2.369 20 70 EEIDRO C[C@@H](CCCO)NC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000159576978 533561788 /nfs/dbraw/zinc/56/17/88/533561788.db2.gz XLBUGNSBJLCOCL-GJZGRUSLSA-N 1 0 334.464 2.067 20 70 EEIDRO O=C(Cc1ccc(Cl)c(Cl)c1)NCC1CC[NH+](CCO)CC1 ZINC000160630148 159714280 /nfs/dbraw/zinc/71/42/80/159714280.db2.gz ZRFIYQRJPIUWAY-UHFFFAOYSA-N 1 0 345.270 2.356 20 70 EEIDRO Cc1ccc(NC(=O)NC(=O)[C@@H](C)[N@H+](C)C[C@@H]2CCC[C@@H]2O)c(C)c1 ZINC000159507080 225230430 /nfs/dbraw/zinc/23/04/30/225230430.db2.gz SJFXQWWYDOMWDD-VYDXJSESSA-N 1 0 347.459 2.433 20 70 EEIDRO COc1ncccc1CNC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000160240822 225369890 /nfs/dbraw/zinc/36/98/90/225369890.db2.gz SVKJHJJERCJHQS-UHFFFAOYSA-N 1 0 334.464 2.354 20 70 EEIDRO CC[C@]1(C)C[C@@H]1C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000159662358 311344320 /nfs/dbraw/zinc/34/43/20/311344320.db2.gz VPVWQFBAVDNKTF-UYAOXDASSA-N 1 0 329.488 2.357 20 70 EEIDRO Cc1cccc(-n2cc(C(=O)NC[C@H](C)[N@@H+]3CCC[C@H](C)C3)nn2)c1 ZINC000160231227 311351606 /nfs/dbraw/zinc/35/16/06/311351606.db2.gz CUCIQXOKTQYJCG-HOTGVXAUSA-N 1 0 341.459 2.426 20 70 EEIDRO CC(=O)N1CCC(CCC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000160462779 311354399 /nfs/dbraw/zinc/35/43/99/311354399.db2.gz VOSKCKQBYGXVOK-GOSISDBHSA-N 1 0 337.508 2.262 20 70 EEIDRO Cc1noc(C)c1CCC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160594110 311356253 /nfs/dbraw/zinc/35/62/53/311356253.db2.gz ORWSERSOBONAPI-ZWKOTPCHSA-N 1 0 349.475 2.108 20 70 EEIDRO C[NH+](C)Cc1ccc(C(=O)Nc2ccc3c(c2)OCC(=O)N3)cc1 ZINC000160695775 311357913 /nfs/dbraw/zinc/35/79/13/311357913.db2.gz FOACQOGZVLNPFX-UHFFFAOYSA-N 1 0 325.368 2.331 20 70 EEIDRO O=C(CCCOc1ccc2c(c1)OCO2)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000161331637 311364763 /nfs/dbraw/zinc/36/47/63/311364763.db2.gz SXNLZTPVYADOLH-OAHLLOKOSA-N 1 0 346.427 2.271 20 70 EEIDRO CC(=O)NC1CCC([NH2+]CCCN(C)C(=O)OC(C)(C)C)CC1 ZINC000161455288 311366160 /nfs/dbraw/zinc/36/61/60/311366160.db2.gz HADQDTYDTHGGAU-UHFFFAOYSA-N 1 0 327.469 2.280 20 70 EEIDRO COc1ccc(C[NH+]2CCC(CNC(=O)[C@H]3OCC[C@H]3C)CC2)cc1 ZINC000159524228 463291906 /nfs/dbraw/zinc/29/19/06/463291906.db2.gz FGUMPXXIDOKCDM-BEFAXECRSA-N 1 0 346.471 2.448 20 70 EEIDRO CC[N@H+](CC1CCN(C(=O)C(C)(C)C)CC1)[C@@H](C)CS(C)(=O)=O ZINC000159657826 463297692 /nfs/dbraw/zinc/29/76/92/463297692.db2.gz CLNXJYMAWWDVCY-AWEZNQCLSA-N 1 0 346.537 2.026 20 70 EEIDRO CC[C@H](COC)NC(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000159753593 463304133 /nfs/dbraw/zinc/30/41/33/463304133.db2.gz ZYOGFKJYWFQNHK-OAHLLOKOSA-N 1 0 343.537 2.462 20 70 EEIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(Br)cc1 ZINC000160484621 463342886 /nfs/dbraw/zinc/34/28/86/463342886.db2.gz FIWGMJLRRZFEQI-CQSZACIVSA-N 1 0 341.249 2.026 20 70 EEIDRO C[NH+](C)Cc1ccc(C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)cc1 ZINC000160543895 463348507 /nfs/dbraw/zinc/34/85/07/463348507.db2.gz QSUASAKHXHQIGN-KRWDZBQOSA-N 1 0 328.416 2.376 20 70 EEIDRO COc1cc(CN(C)C(=O)C[NH2+]CC2CC2)c(SC)cc1OC ZINC000160675507 463361596 /nfs/dbraw/zinc/36/15/96/463361596.db2.gz OPMXCQHQPXCCDT-UHFFFAOYSA-N 1 0 338.473 2.384 20 70 EEIDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc3[nH]c(=O)n(C)c3c2)C1 ZINC000160693399 463363837 /nfs/dbraw/zinc/36/38/37/463363837.db2.gz IHNZCDKYKBQTGN-CYBMUJFWSA-N 1 0 344.459 2.107 20 70 EEIDRO C[NH+](C)CCN(C(=O)NCCc1cn2c(n1)CCCC2)C1CCCC1 ZINC000160735031 463365855 /nfs/dbraw/zinc/36/58/55/463365855.db2.gz ATUOZJPVMGZUFY-UHFFFAOYSA-N 1 0 347.507 2.278 20 70 EEIDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)Nc1ccc(-c2ncn(C)n2)cc1 ZINC000160832726 463374971 /nfs/dbraw/zinc/37/49/71/463374971.db2.gz AQZMXZUKEZGWOK-AWEZNQCLSA-N 1 0 342.447 2.478 20 70 EEIDRO COCCNC(=O)Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000161038434 463393875 /nfs/dbraw/zinc/39/38/75/463393875.db2.gz BMJIMBVLNFHNOD-MRXNPFEDSA-N 1 0 343.431 2.098 20 70 EEIDRO CCc1ncc(NC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)cn1 ZINC000161184196 463407521 /nfs/dbraw/zinc/40/75/21/463407521.db2.gz NIRSQIUUJAMMTC-MRXNPFEDSA-N 1 0 327.432 2.333 20 70 EEIDRO CCOc1c(OC)cc(CNC(=O)C(CC)(CC)C[NH3+])cc1OC ZINC000161200077 463408897 /nfs/dbraw/zinc/40/88/97/463408897.db2.gz JNFVBNSCBWAHTB-UHFFFAOYSA-N 1 0 338.448 2.484 20 70 EEIDRO CCC(CC)(C[NH3+])C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000161253082 463413965 /nfs/dbraw/zinc/41/39/65/463413965.db2.gz XQIGLXMNDUCDAM-AWEZNQCLSA-N 1 0 337.851 2.327 20 70 EEIDRO C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000161418730 463429485 /nfs/dbraw/zinc/42/94/85/463429485.db2.gz DDRIBYJZUFATNB-PBHICJAKSA-N 1 0 339.443 2.221 20 70 EEIDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H](C)CC(C)(C)OC)c1 ZINC000161441950 463430952 /nfs/dbraw/zinc/43/09/52/463430952.db2.gz ODSYJVQKTIWHOD-OLZOCXBDSA-N 1 0 328.478 2.449 20 70 EEIDRO CC[C@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)NC)c1)[C@H]1CCOC1 ZINC000161476333 463433079 /nfs/dbraw/zinc/43/30/79/463433079.db2.gz QYPREYNCHXWALT-NOLJZWGESA-N 1 0 326.462 2.060 20 70 EEIDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CCC[C@@](C)(O)C2)C1 ZINC000160359697 533795117 /nfs/dbraw/zinc/79/51/17/533795117.db2.gz YZNJREISFWJVLH-SOLBZPMBSA-N 1 0 325.497 2.301 20 70 EEIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(N3CCOC3=O)cc1)CC2 ZINC000160346243 534703151 /nfs/dbraw/zinc/70/31/51/534703151.db2.gz QEBDPGSTSVCFAP-WFASDCNBSA-N 1 0 341.415 2.209 20 70 EEIDRO CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@H]1CCCCNC1=O ZINC000160081425 528349013 /nfs/dbraw/zinc/34/90/13/528349013.db2.gz YLDCKPBSIMRNNJ-KRWDZBQOSA-N 1 0 330.476 2.289 20 70 EEIDRO CCN1CC[NH+](C[C@H](C)CNC(=O)[C@@H](C)Cc2ccccc2F)CC1 ZINC000160116999 529147960 /nfs/dbraw/zinc/14/79/60/529147960.db2.gz HVGIRISNVMAOFC-SJORKVTESA-N 1 0 349.494 2.394 20 70 EEIDRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000159728410 529242248 /nfs/dbraw/zinc/24/22/48/529242248.db2.gz HVXXCMLLPXAJGG-GJZGRUSLSA-N 1 0 340.489 2.232 20 70 EEIDRO CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)NCC[NH+]2CCC(C)CC2)C1 ZINC000160232665 529630832 /nfs/dbraw/zinc/63/08/32/529630832.db2.gz PFDVETMMTPTAKY-DLBZAZTESA-N 1 0 337.508 2.119 20 70 EEIDRO C[NH2+]C[C@H]1CCCN1C(=O)CCc1nc(-c2ccc(F)c(C)c2)no1 ZINC000161345451 530002234 /nfs/dbraw/zinc/00/22/34/530002234.db2.gz PMXMXDLXDRIZKC-CQSZACIVSA-N 1 0 346.406 2.327 20 70 EEIDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000159924825 539518937 /nfs/dbraw/zinc/51/89/37/539518937.db2.gz RBANWSDYTBLLRT-OWYHZJEWSA-N 1 0 345.487 2.357 20 70 EEIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccc(F)cc1OC(F)F ZINC000160060443 237230480 /nfs/dbraw/zinc/23/04/80/237230480.db2.gz JLCYDWVQIFILIO-LBPRGKRZSA-N 1 0 346.349 2.004 20 70 EEIDRO C[C@@H](C(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(Cl)s1 ZINC000160139689 533270244 /nfs/dbraw/zinc/27/02/44/533270244.db2.gz JESQNNGXDFYEMO-VXGBXAGGSA-N 1 0 330.881 2.468 20 70 EEIDRO C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCC1([NH3+])CCCCC1 ZINC000159730799 533288406 /nfs/dbraw/zinc/28/84/06/533288406.db2.gz YWWYYRBSNXMHSO-GFCCVEGCSA-N 1 0 337.851 2.236 20 70 EEIDRO COC1(C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)CC[NH2+]CC1 ZINC000159498495 292083384 /nfs/dbraw/zinc/08/33/84/292083384.db2.gz MVCSAZZILOHCMJ-UHFFFAOYSA-N 1 0 348.287 2.098 20 70 EEIDRO O=S(=O)(c1ccc(F)cc1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160109526 143807520 /nfs/dbraw/zinc/80/75/20/143807520.db2.gz GNYWFWJNZXSERS-OAHLLOKOSA-N 1 0 326.437 2.465 20 70 EEIDRO C[C@H](O)C[N@H+](C)[C@@H](C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000159473735 225225022 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COc1cc(CN2CCNC(=O)C2)c(-c2ccccc2)cc1OC ZINC000160491576 311354805 /nfs/dbraw/zinc/35/48/05/311354805.db2.gz CDPCCCXSDKQUOD-UHFFFAOYSA-N 1 0 326.396 2.303 20 70 EEIDRO CCCC(=O)N1CCC[C@@H](C(=O)NCC[NH2+]C2CCCCCC2)C1 ZINC000159691470 463300120 /nfs/dbraw/zinc/30/01/20/463300120.db2.gz ILAMNDDEPKWOKE-MRXNPFEDSA-N 1 0 337.508 2.454 20 70 EEIDRO [NH3+]C1(CNC(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)CCCCC1 ZINC000159729806 463301240 /nfs/dbraw/zinc/30/12/40/463301240.db2.gz SXWAYFTXKJOLFS-QGZVFWFLSA-N 1 0 343.471 2.317 20 70 EEIDRO CC(C)N(CC[NH+](C)C)C(=O)N[C@@H]1CCO[C@]2(CCSC2)C1 ZINC000159779984 463303609 /nfs/dbraw/zinc/30/36/09/463303609.db2.gz VLPWDAWXJUWRIM-GDBMZVCRSA-N 1 0 329.510 2.023 20 70 EEIDRO O=C(CCC1CCOCC1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160447346 463340349 /nfs/dbraw/zinc/34/03/49/463340349.db2.gz CQPUCXVQBFNHDH-QZTJIDSGSA-N 1 0 338.492 2.077 20 70 EEIDRO Cc1ccc(/C=C/C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)o1 ZINC000160474151 463341599 /nfs/dbraw/zinc/34/15/99/463341599.db2.gz NPUUFCRVFOGWCK-NUQYTELCSA-N 1 0 332.444 2.485 20 70 EEIDRO COc1ccc(C[N@H+](C)CCN2C(=O)NC3(CCCC3)C2=O)cc1C ZINC000160504542 463344753 /nfs/dbraw/zinc/34/47/53/463344753.db2.gz VOMMWONKMLANRP-UHFFFAOYSA-N 1 0 345.443 2.300 20 70 EEIDRO Cc1ccccc1C[N@@H+](C)Cc1cnc(N2CCN(C)CC2)nc1 ZINC000160523848 463347038 /nfs/dbraw/zinc/34/70/38/463347038.db2.gz XOFACNJLNVAUJD-UHFFFAOYSA-N 1 0 325.460 2.169 20 70 EEIDRO Cc1cccc([C@@H](C)CNC(=O)c2cn(C3CC[NH2+]CC3)nn2)c1 ZINC000160732872 463365896 /nfs/dbraw/zinc/36/58/96/463365896.db2.gz XGOVJNCQBNUFTM-AWEZNQCLSA-N 1 0 327.432 2.045 20 70 EEIDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCc2cccc(N(C)C)n2)C1 ZINC000160824622 463373692 /nfs/dbraw/zinc/37/36/92/463373692.db2.gz KMHLWIQOTUSYMP-OAHLLOKOSA-N 1 0 333.480 2.067 20 70 EEIDRO O=C(Nc1cnn(CC(F)F)c1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000160990424 463388085 /nfs/dbraw/zinc/38/80/85/463388085.db2.gz HLMDJLUTBSDBBL-UHFFFAOYSA-N 1 0 334.370 2.408 20 70 EEIDRO NC(=O)CNC(=O)c1ccc(C[NH2+][C@@H]2CCCc3sccc32)cc1 ZINC000161009019 463390602 /nfs/dbraw/zinc/39/06/02/463390602.db2.gz RDYAYHCBQPJNPT-OAHLLOKOSA-N 1 0 343.452 2.130 20 70 EEIDRO CCn1nnnc1-c1cccc(NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)c1 ZINC000161127730 463401976 /nfs/dbraw/zinc/40/19/76/463401976.db2.gz FZWMOJFMJUCOMU-KRWDZBQOSA-N 1 0 348.410 2.013 20 70 EEIDRO CCCS(=O)(=O)Nc1cccc(NC(=O)CC[NH2+]C(C)C)c1 ZINC000161125760 463402104 /nfs/dbraw/zinc/40/21/04/463402104.db2.gz MIRLIUMFADISRE-UHFFFAOYSA-N 1 0 327.450 2.165 20 70 EEIDRO Cn1cnnc1[C@H]1CCC[N@@H+]1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000161354322 463424527 /nfs/dbraw/zinc/42/45/27/463424527.db2.gz ATDWRWLUUHYEFW-OAHLLOKOSA-N 1 0 333.480 2.237 20 70 EEIDRO Cc1cc(F)cc2c(O)c(C(=O)NC3CC[NH+](C4CC4)CC3)cnc12 ZINC000161403680 463428903 /nfs/dbraw/zinc/42/89/03/463428903.db2.gz FFDOWKHUGQTITJ-UHFFFAOYSA-N 1 0 343.402 2.332 20 70 EEIDRO CC(=O)NC1CCC([NH2+]CCCC(=O)N2CCc3ccccc32)CC1 ZINC000161431121 463430081 /nfs/dbraw/zinc/43/00/81/463430081.db2.gz MUOWBOLCJZBLGI-UHFFFAOYSA-N 1 0 343.471 2.393 20 70 EEIDRO COCCOC[C@@H]1CC[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000159855797 536534485 /nfs/dbraw/zinc/53/44/85/536534485.db2.gz HTVSHOKOTGPCCJ-QGZVFWFLSA-N 1 0 340.508 2.256 20 70 EEIDRO CC(C)C[C@H](NC(=O)C1CC[NH2+]CC1)C(=O)OCc1ccccc1 ZINC000160113253 528562114 /nfs/dbraw/zinc/56/21/14/528562114.db2.gz DVZNZQFQWJEEKV-KRWDZBQOSA-N 1 0 332.444 2.260 20 70 EEIDRO CCC([NH3+])(CC)CNC(=O)COc1ccc(Br)cc1 ZINC000160428448 528925863 /nfs/dbraw/zinc/92/58/63/528925863.db2.gz KRMTXXIXVQLQOU-UHFFFAOYSA-N 1 0 329.238 2.462 20 70 EEIDRO CCC[C@@H]([NH3+])C(=O)Nc1cc(S(=O)(=O)C(F)F)ccc1NCC ZINC000159666443 528965350 /nfs/dbraw/zinc/96/53/50/528965350.db2.gz NTNBKFROZGEPLK-SNVBAGLBSA-N 1 0 349.403 2.181 20 70 EEIDRO CC[C@H](C(=O)NCCc1ccc(OC)c(OC(F)F)c1)[NH+](C)C ZINC000160052669 529607088 /nfs/dbraw/zinc/60/70/88/529607088.db2.gz MMTIITCSQQNHTF-GFCCVEGCSA-N 1 0 330.375 2.296 20 70 EEIDRO CN(Cc1cc2c(cc1Br)OCCO2)[C@@H](C[NH3+])C1CC1 ZINC000160101040 529980422 /nfs/dbraw/zinc/98/04/22/529980422.db2.gz OWQYRDBCAIEOMN-ZDUSSCGKSA-N 1 0 341.249 2.389 20 70 EEIDRO O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000161174080 539525208 /nfs/dbraw/zinc/52/52/08/539525208.db2.gz JOFWDJDREBCUGN-NXOAAHMSSA-N 1 0 333.476 2.214 20 70 EEIDRO COc1ccc(OC)c(NC(=O)[C@H](C)[N@H+](C)C[C@@H]2CCC[C@@H]2O)c1 ZINC000159846321 532975753 /nfs/dbraw/zinc/97/57/53/532975753.db2.gz HDFISDBMBHWSLM-XEZPLFJOSA-N 1 0 336.432 2.124 20 70 EEIDRO Cc1cc(C[N@@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)ccc1F ZINC000159411291 533599363 /nfs/dbraw/zinc/59/93/63/533599363.db2.gz ZZSHYJSYXKPMJC-OAHLLOKOSA-N 1 0 328.453 2.428 20 70 EEIDRO Cc1ccccc1C[NH+]1CCC(NC(=O)c2cccc(=O)n2C)CC1 ZINC000160020062 225321673 /nfs/dbraw/zinc/32/16/73/225321673.db2.gz HJOHMUYUZBTRHL-UHFFFAOYSA-N 1 0 339.439 2.088 20 70 EEIDRO COCC[NH+]1CCC(NC(=O)[C@@H](C)Cc2ccc(OC)cc2)CC1 ZINC000160300984 225382618 /nfs/dbraw/zinc/38/26/18/225382618.db2.gz IZNNTMJCUOHYJB-HNNXBMFYSA-N 1 0 334.460 2.101 20 70 EEIDRO C[NH+](C)CCN(Cc1ccco1)C(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000160337931 225391297 /nfs/dbraw/zinc/39/12/97/225391297.db2.gz GJEDLKFBYBLLQR-WBVHZDCISA-N 1 0 335.448 2.310 20 70 EEIDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C1CCC(C)(C)CC1 ZINC000159770464 289018731 /nfs/dbraw/zinc/01/87/31/289018731.db2.gz ZDITYEKGCSHSKP-MRXNPFEDSA-N 1 0 337.508 2.262 20 70 EEIDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CCC[C@@](C)(O)C2)C1 ZINC000160854247 297356779 /nfs/dbraw/zinc/35/67/79/297356779.db2.gz CHKKWDSOTLHDGW-RVKKMQEKSA-N 1 0 325.497 2.299 20 70 EEIDRO Cc1c(CNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)cnn1C ZINC000159653117 311344253 /nfs/dbraw/zinc/34/42/53/311344253.db2.gz OWHLGEKSLZUTJV-UHFFFAOYSA-N 1 0 341.459 2.324 20 70 EEIDRO CC[C@H]([NH3+])C(=O)NC[C@@H](Cc1ccc2ccccc2c1)C(=O)OC ZINC000160055019 311349826 /nfs/dbraw/zinc/34/98/26/311349826.db2.gz ZZCGROPPIJQDRS-SJORKVTESA-N 1 0 328.412 2.025 20 70 EEIDRO CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2cc(C(=O)OC)cs2)C1 ZINC000160898742 311359752 /nfs/dbraw/zinc/35/97/52/311359752.db2.gz XKDVBXVEPUQHMM-NSHDSACASA-N 1 0 325.434 2.388 20 70 EEIDRO CCC(CC)[C@@H](CNC(=O)C(CC)(CC)C[NH3+])N1CCOCC1 ZINC000161266313 311364058 /nfs/dbraw/zinc/36/40/58/311364058.db2.gz CVPLPIPZSAFBQD-MRXNPFEDSA-N 1 0 327.513 2.005 20 70 EEIDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2nc(C(C)(C)C)ns2)CC1 ZINC000159382572 463282860 /nfs/dbraw/zinc/28/28/60/463282860.db2.gz FUMLLKCJZHTBMX-CQSZACIVSA-N 1 0 337.537 2.442 20 70 EEIDRO CC[N@@H+]1CCCN(C(=O)NCCCN(C)c2ccccc2F)CC1 ZINC000159722404 463301070 /nfs/dbraw/zinc/30/10/70/463301070.db2.gz GFYRALWWYPEQJA-UHFFFAOYSA-N 1 0 336.455 2.389 20 70 EEIDRO COC(=O)Nc1ccc(C(=O)N2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000159869409 463309097 /nfs/dbraw/zinc/30/90/97/463309097.db2.gz OGKXLVQLQYBQHF-UHFFFAOYSA-N 1 0 331.416 2.469 20 70 EEIDRO CC(C)OCc1ccccc1CNC(=O)C[N@@H+]1CCCC[C@@H]1CO ZINC000160011274 463313963 /nfs/dbraw/zinc/31/39/63/463313963.db2.gz WYHQHUYVCQYLAR-GOSISDBHSA-N 1 0 334.460 2.075 20 70 EEIDRO CC(C)[C@@H](O)CCNC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000159997421 463314624 /nfs/dbraw/zinc/31/46/24/463314624.db2.gz AKWNZMYDWNCARQ-SZMVWBNQSA-N 1 0 333.476 2.213 20 70 EEIDRO Cc1ccc(-c2nc(NC(=O)CN(C)Cc3ccccc3)n[nH]2)o1 ZINC000160162450 463320917 /nfs/dbraw/zinc/32/09/17/463320917.db2.gz UGOLJMZJDKJDLE-UHFFFAOYSA-N 1 0 325.372 2.444 20 70 EEIDRO C[C@H]1C[C@@H](NC(=O)N(C)Cc2cnn(C)c2)C[N@@H+]1Cc1ccccc1 ZINC000160300336 463326920 /nfs/dbraw/zinc/32/69/20/463326920.db2.gz WYFYBQBCTPCXGK-MAUKXSAKSA-N 1 0 341.459 2.225 20 70 EEIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)C1(Cc2ccccc2)CCC1 ZINC000160435084 463338384 /nfs/dbraw/zinc/33/83/84/463338384.db2.gz UBIIKIVCUNBIMA-GOSISDBHSA-N 1 0 330.472 2.362 20 70 EEIDRO COc1ccc(C[N@H+](C)[C@H]2CCCN(c3cnn(C)c3)C2=O)cc1C ZINC000160505828 463344058 /nfs/dbraw/zinc/34/40/58/463344058.db2.gz OCPHEQRFPXSQDX-KRWDZBQOSA-N 1 0 342.443 2.365 20 70 EEIDRO C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)Oc2ccc(Br)cc2)C1 ZINC000160783491 463370685 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EEIDRO Cc1ccc([C@@H](CNC(=O)N2CCC[C@](C)(O)C2)[NH+]2CCCC2)o1 ZINC000161498812 463434935 /nfs/dbraw/zinc/43/49/35/463434935.db2.gz VJSUQCDRUNFYHL-QAPCUYQASA-N 1 0 335.448 2.281 20 70 EEIDRO C[C@@H](O)C[C@H]1CCCN1C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000159990694 533764108 /nfs/dbraw/zinc/76/41/08/533764108.db2.gz WQIVCKCZZDDFTF-ISARSNTHSA-N 1 0 345.487 2.452 20 70 EEIDRO C[C@@H](CNC(=O)[C@@]1(C)CC[NH2+]C1)Oc1ccccc1Br ZINC000161140825 534017921 /nfs/dbraw/zinc/01/79/21/534017921.db2.gz USVVGEONKVCWOG-NHYWBVRUSA-N 1 0 341.249 2.332 20 70 EEIDRO O=C(NCC1CC[NH+](CCO)CC1)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000160710916 534819956 /nfs/dbraw/zinc/81/99/56/534819956.db2.gz DIEPTLLYCKHHEL-KGLIPLIRSA-N 1 0 336.398 2.176 20 70 EEIDRO CCN(CC)C(=O)C[N@H+](C)C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000159571364 528015228 /nfs/dbraw/zinc/01/52/28/528015228.db2.gz CIFKXNXGLMRCGZ-HNNXBMFYSA-N 1 0 346.393 2.409 20 70 EEIDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C)nc1Br ZINC000160332199 529080164 /nfs/dbraw/zinc/08/01/64/529080164.db2.gz ZGYGCIHGBJXYQI-LLVKDONJSA-N 1 0 326.238 2.367 20 70 EEIDRO COc1ccc(C(=O)N(C)[C@@H](C[NH3+])C2CC2)cc1Br ZINC000159883508 536698164 /nfs/dbraw/zinc/69/81/64/536698164.db2.gz QNNIFRQGDPGBIP-LBPRGKRZSA-N 1 0 327.222 2.267 20 70 EEIDRO CC[C@@](C)(O)CNC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000161190441 529510405 /nfs/dbraw/zinc/51/04/05/529510405.db2.gz UMUPBMKTGIJYJH-KBXCAEBGSA-N 1 0 334.464 2.067 20 70 EEIDRO CC[C@@H]1CCCCN1C(=O)[C@@H](C)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161326164 539527317 /nfs/dbraw/zinc/52/73/17/539527317.db2.gz JHXMFMQQHOASKK-IAGOWNOFSA-N 1 0 330.476 2.383 20 70 EEIDRO CC[NH2+]CC1CCN(C(=O)CCc2ccc3c(c2)OCCO3)CC1 ZINC000161081239 255801824 /nfs/dbraw/zinc/80/18/24/255801824.db2.gz BGWIITULKFXAQP-UHFFFAOYSA-N 1 0 332.444 2.239 20 70 EEIDRO Cc1ncsc1C(=O)NC1CC[NH+](CCCOC(C)C)CC1 ZINC000159895599 143804111 /nfs/dbraw/zinc/80/41/11/143804111.db2.gz ICOOAOCUHJJKRI-UHFFFAOYSA-N 1 0 325.478 2.461 20 70 EEIDRO O=C(c1cccc(N2CCOC2=O)c1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159799175 225279348 /nfs/dbraw/zinc/27/93/48/225279348.db2.gz VZIIMDIAPOOJHP-UHFFFAOYSA-N 1 0 343.427 2.247 20 70 EEIDRO C[C@H]1CCC[N@H+](CCNC(=O)CCc2nc(-c3ccoc3)no2)C1 ZINC000159901098 225298879 /nfs/dbraw/zinc/29/88/79/225298879.db2.gz ISZMRBLMUBSZON-ZDUSSCGKSA-N 1 0 332.404 2.110 20 70 EEIDRO CSCC[C@@H]([NH3+])C(=O)N1CCc2cccc(Br)c2C1 ZINC000160917734 274176267 /nfs/dbraw/zinc/17/62/67/274176267.db2.gz FQYGVGZPLQDMRD-CYBMUJFWSA-N 1 0 343.290 2.414 20 70 EEIDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]CCOC[C@H]2CCCO2)cc1 ZINC000159543114 311342529 /nfs/dbraw/zinc/34/25/29/311342529.db2.gz MZQTULFSUBTMOG-GOEBONIOSA-N 1 0 341.473 2.326 20 70 EEIDRO Cc1nn(C)cc1C[NH2+][C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000160271992 311352197 /nfs/dbraw/zinc/35/21/97/311352197.db2.gz AGKSXYRBOXWKLP-ZDUSSCGKSA-N 1 0 342.443 2.237 20 70 EEIDRO O=C(CCOc1ccccc1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160312776 311352614 /nfs/dbraw/zinc/35/26/14/311352614.db2.gz PGKJHMYXICAOAZ-RBUKOAKNSA-N 1 0 346.471 2.340 20 70 EEIDRO Cc1ccoc1C(=O)NCCCNC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000160382997 311354003 /nfs/dbraw/zinc/35/40/03/311354003.db2.gz UYRYKGHOVWKSIG-INIZCTEOSA-N 1 0 343.427 2.304 20 70 EEIDRO CCN(CCC(=O)OC)C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000160609930 311356614 /nfs/dbraw/zinc/35/66/14/311356614.db2.gz XSDOSSQFSUMNLD-KRWDZBQOSA-N 1 0 332.444 2.453 20 70 EEIDRO CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1ccccc1N1CCOCC1 ZINC000161469633 311366485 /nfs/dbraw/zinc/36/64/85/311366485.db2.gz XNMCPAJXIGGSLG-MRXNPFEDSA-N 1 0 333.476 2.260 20 70 EEIDRO CC1CC[NH+](C[C@H](O)CNC(=O)C(C)(C)c2ccc(F)cc2)CC1 ZINC000159571637 463292557 /nfs/dbraw/zinc/29/25/57/463292557.db2.gz GMUXAAAYZPVKBM-QGZVFWFLSA-N 1 0 336.451 2.312 20 70 EEIDRO CCC([NH3+])(CC)CNC(=O)c1ccccc1S(=O)(=O)C(C)C ZINC000160532222 463346883 /nfs/dbraw/zinc/34/68/83/463346883.db2.gz XABQKOZUVYQAGU-UHFFFAOYSA-N 1 0 326.462 2.116 20 70 EEIDRO CC(C)Cc1ccc(CC(=O)NCC2CC[NH+](CCO)CC2)cc1 ZINC000160554714 463349744 /nfs/dbraw/zinc/34/97/44/463349744.db2.gz LFSRHQMOFNZYGT-UHFFFAOYSA-N 1 0 332.488 2.248 20 70 EEIDRO C[NH+](C)Cc1cccc(C(=O)N2CCOC[C@@H]2[C@@H]2CCCCC2=O)c1 ZINC000160601416 463353542 /nfs/dbraw/zinc/35/35/42/463353542.db2.gz IFJHCFYPZLOQAU-ZWKOTPCHSA-N 1 0 344.455 2.349 20 70 EEIDRO CCc1cc(=O)[nH]c(CN2CC[NH+](CCc3ccccc3)CC2)n1 ZINC000160609785 463355461 /nfs/dbraw/zinc/35/54/61/463355461.db2.gz LCRKTQSMHBLDCA-UHFFFAOYSA-N 1 0 326.444 2.105 20 70 EEIDRO O=C(NCC1CC[NH+](CCO)CC1)[C@@H]1C[C@@H]1c1ccccc1Cl ZINC000160618511 463355987 /nfs/dbraw/zinc/35/59/87/463355987.db2.gz IROWKGKHDNYVJG-HZPDHXFCSA-N 1 0 336.863 2.264 20 70 EEIDRO O=C(COc1ccc2ccccc2c1)NCC1CC[NH+](CCO)CC1 ZINC000160652395 463358936 /nfs/dbraw/zinc/35/89/36/463358936.db2.gz BHLFALXIOXBQBN-UHFFFAOYSA-N 1 0 342.439 2.039 20 70 EEIDRO CCSCc1ccc(C(=O)NCC2CC[NH+](CCO)CC2)cc1 ZINC000160646615 463359371 /nfs/dbraw/zinc/35/93/71/463359371.db2.gz OERMVEOHIYUFJV-UHFFFAOYSA-N 1 0 336.501 2.374 20 70 EEIDRO CC(C)NC(=O)C[NH2+][C@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000160904819 463380790 /nfs/dbraw/zinc/38/07/90/463380790.db2.gz ZHPYQMNOVLCSRV-CYBMUJFWSA-N 1 0 339.867 2.191 20 70 EEIDRO CC(C)NC(=O)C[NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000160931789 463383571 /nfs/dbraw/zinc/38/35/71/463383571.db2.gz AHDWUYZKMXGPFC-AWEZNQCLSA-N 1 0 330.432 2.174 20 70 EEIDRO CCO[C@@H]1C[C@H](N(C)C(=O)C[NH2+]C[C@@H]2CCCO2)C12CCCCC2 ZINC000161021064 463392262 /nfs/dbraw/zinc/39/22/62/463392262.db2.gz SGMMQTUQLPDFDS-YESZJQIVSA-N 1 0 338.492 2.341 20 70 EEIDRO C[NH+](C)[C@H](CNC(=O)c1ccc(CNC(=O)C(C)(C)C)cc1)C1CC1 ZINC000161160291 463405622 /nfs/dbraw/zinc/40/56/22/463405622.db2.gz FMUOIFUOKAEFQQ-QGZVFWFLSA-N 1 0 345.487 2.419 20 70 EEIDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@H]2CCCC[C@@H]2O)CC1 ZINC000161332336 463422001 /nfs/dbraw/zinc/42/20/01/463422001.db2.gz WNBWEEUUAMJNBR-WBAXXEDZSA-N 1 0 346.475 2.210 20 70 EEIDRO Cc1ccc(NC(=O)CSCC(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000161378742 463426288 /nfs/dbraw/zinc/42/62/88/463426288.db2.gz OAULSMCOXLMWAO-ZFWWWQNUSA-N 1 0 335.473 2.053 20 70 EEIDRO Cc1ccc(NC(=O)CSCC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000161378874 463426577 /nfs/dbraw/zinc/42/65/77/463426577.db2.gz OAULSMCOXLMWAO-UKRRQHHQSA-N 1 0 335.473 2.053 20 70 EEIDRO C[C@@H](Cn1cc(Br)cn1)[NH2+]C[C@@H](CO)c1ccccc1 ZINC000161493559 463434228 /nfs/dbraw/zinc/43/42/28/463434228.db2.gz NKSCBFHDBISHCJ-JSGCOSHPSA-N 1 0 338.249 2.400 20 70 EEIDRO CCn1cnnc1CNCc1cc2c(c(Br)c1)OCO2 ZINC000218224299 464108800 /nfs/dbraw/zinc/10/88/00/464108800.db2.gz CNCOIZBPSIKEGJ-UHFFFAOYSA-N 1 0 339.193 2.079 20 70 EEIDRO O=C(c1ccc(-c2ccco2)[nH]c1=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159760631 534681198 /nfs/dbraw/zinc/68/11/98/534681198.db2.gz GNHWGRGUQFYBTK-UHFFFAOYSA-N 1 0 341.411 2.239 20 70 EEIDRO CCC(CC)(CNC(=O)N[C@H](C)C[NH+]1CCCCC1)C(=O)OC ZINC000159616525 282106826 /nfs/dbraw/zinc/10/68/26/282106826.db2.gz YAXATDGITDLPDR-CQSZACIVSA-N 1 0 327.469 2.139 20 70 EEIDRO CCc1nn(C)c(Cl)c1C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000160062321 529767212 /nfs/dbraw/zinc/76/72/12/529767212.db2.gz VCRSPCKWSRHHNN-GFCCVEGCSA-N 1 0 326.872 2.486 20 70 EEIDRO CN(CC(=O)Nc1ccc(Br)cc1)[C@@H](C[NH3+])C1CC1 ZINC000160024265 529837430 /nfs/dbraw/zinc/83/74/30/529837430.db2.gz DYMPSIPIVVMRNG-ZDUSSCGKSA-N 1 0 326.238 2.057 20 70 EEIDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCC[C@H](CCO)C1 ZINC000160012301 539519241 /nfs/dbraw/zinc/51/92/41/539519241.db2.gz BYMVVZWUGVHOOR-QRQLOZEOSA-N 1 0 345.487 2.311 20 70 EEIDRO C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161349973 539527233 /nfs/dbraw/zinc/52/72/33/539527233.db2.gz AKCHANIPYRDVRM-AWEZNQCLSA-N 1 0 335.411 2.201 20 70 EEIDRO Cc1ccc(CSCC(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000159977119 237225174 /nfs/dbraw/zinc/22/51/74/237225174.db2.gz VZLKIHJPMMTIME-KRWDZBQOSA-N 1 0 336.501 2.191 20 70 EEIDRO C[C@@H](O)CCN(C)C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000161240233 296171095 /nfs/dbraw/zinc/17/10/95/296171095.db2.gz GIIIIOSZJSNNPT-HUUCEWRRSA-N 1 0 334.464 2.019 20 70 EEIDRO COc1ccc(OC)c(NC(=O)[C@@H](C)[N@H+](C)C[C@@H]2CCC[C@@H]2O)c1 ZINC000159846436 532973862 /nfs/dbraw/zinc/97/38/62/532973862.db2.gz HDFISDBMBHWSLM-WWGRRREGSA-N 1 0 336.432 2.124 20 70 EEIDRO COc1ccccc1[C@H](C)CC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160299911 533001112 /nfs/dbraw/zinc/00/11/12/533001112.db2.gz YMYMXYHXHJKCIP-HZPDHXFCSA-N 1 0 334.460 2.152 20 70 EEIDRO O=C(Nc1cnn(CC(F)(F)F)c1)c1cccn1C1CC[NH2+]CC1 ZINC000159698640 143801491 /nfs/dbraw/zinc/80/14/91/143801491.db2.gz MRBJHKGYHUAIRR-UHFFFAOYSA-N 1 0 341.337 2.424 20 70 EEIDRO COc1ccc(CNC(=O)C2([NH3+])Cc3ccccc3C2)cc1Cl ZINC000161491982 159725776 /nfs/dbraw/zinc/72/57/76/159725776.db2.gz TZBDWAORGDTHAX-UHFFFAOYSA-N 1 0 330.815 2.461 20 70 EEIDRO C[C@H](NC(=O)CN1CCC[C@@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000217524405 160216559 /nfs/dbraw/zinc/21/65/59/160216559.db2.gz JPFQXCCUAMUXNR-SMDDNHRTSA-N 1 0 340.265 2.049 20 70 EEIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc2[nH]cnc2c1 ZINC000159448160 225219597 /nfs/dbraw/zinc/21/95/97/225219597.db2.gz OWSRAPWKAATBMA-ROUUACIJSA-N 1 0 342.443 2.061 20 70 EEIDRO NC(=O)CC1CC[NH+](Cc2c[nH]nc2-c2c(F)cccc2F)CC1 ZINC000159747158 225271506 /nfs/dbraw/zinc/27/15/06/225271506.db2.gz IWDGKCKYANHZMR-UHFFFAOYSA-N 1 0 334.370 2.442 20 70 EEIDRO O=C(COc1ccc2ccccc2c1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160255500 225372333 /nfs/dbraw/zinc/37/23/33/225372333.db2.gz CXHSSGJANFYTJP-GOSISDBHSA-N 1 0 342.439 2.182 20 70 EEIDRO Cc1ccc(NC(=O)C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cn1 ZINC000160089365 225335774 /nfs/dbraw/zinc/33/57/74/225335774.db2.gz GLDBTOOIUURFEY-HUUCEWRRSA-N 1 0 346.475 2.203 20 70 EEIDRO C[C@H](Cc1ccccc1F)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000160108674 225339421 /nfs/dbraw/zinc/33/94/21/225339421.db2.gz NHJNKSCKBSXSJO-JKSUJKDBSA-N 1 0 335.467 2.004 20 70 EEIDRO O=S(=O)(CCC[NH2+]C1CCC2(CC1)OCCO2)c1ccccc1 ZINC000161386199 225616692 /nfs/dbraw/zinc/61/66/92/225616692.db2.gz LMJAYGVXYVCSFH-UHFFFAOYSA-N 1 0 339.457 2.126 20 70 EEIDRO COc1cccc([C@@H](C[NH2+]C2CCC(NC(C)=O)CC2)N(C)C)c1 ZINC000161209334 295314696 /nfs/dbraw/zinc/31/46/96/295314696.db2.gz PYFCYBDECIXPCC-FAFZWHIHSA-N 1 0 333.476 2.335 20 70 EEIDRO C[C@@H](NC(=O)N(CC[NH+](C)C)C1CCCC1)c1nnc2ccccn21 ZINC000159458682 311341570 /nfs/dbraw/zinc/34/15/70/311341570.db2.gz CCPBVXBRZYAKDE-CQSZACIVSA-N 1 0 344.463 2.306 20 70 EEIDRO CC(C)Oc1cccc(CNC(=O)C[N@H+](C)C[C@H]2CCC[C@@H]2O)c1 ZINC000159503695 311341824 /nfs/dbraw/zinc/34/18/24/311341824.db2.gz FEXWSLBAKGIYGH-AEFFLSMTSA-N 1 0 334.460 2.183 20 70 EEIDRO CC(C)[NH+](CCNC(=O)C1(NC(=O)OC(C)(C)C)CC1)C(C)C ZINC000159627581 311343676 /nfs/dbraw/zinc/34/36/76/311343676.db2.gz AMXHBOZAKLPVKY-UHFFFAOYSA-N 1 0 327.469 2.279 20 70 EEIDRO Cc1c(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)cnn1C1CCOCC1 ZINC000159788852 311346150 /nfs/dbraw/zinc/34/61/50/311346150.db2.gz BEWCVFIVUVJODC-HNNXBMFYSA-N 1 0 348.491 2.393 20 70 EEIDRO COC(=O)c1ccc(CNC(=O)[C@H](C)[NH+]2CCCCCC2)cc1OC ZINC000159858681 311347308 /nfs/dbraw/zinc/34/73/08/311347308.db2.gz UFBKYAXUKVHFNU-AWEZNQCLSA-N 1 0 348.443 2.363 20 70 EEIDRO CC(C)[C@@H](CNC(=O)C[N@H+](C)[C@@H]1CCSC1)[NH+]1CCC(C)CC1 ZINC000160004416 311348690 /nfs/dbraw/zinc/34/86/90/311348690.db2.gz DISGCKKZAXFVBD-IAGOWNOFSA-N 1 0 341.565 2.296 20 70 EEIDRO CC(C)C(=O)NCCC[NH2+][C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000159985990 311348736 /nfs/dbraw/zinc/34/87/36/311348736.db2.gz VEIRMKNJQQXTMU-GOSISDBHSA-N 1 0 345.487 2.492 20 70 EEIDRO COc1ccc([C@H](NC(=O)c2cc(C)ncn2)c2nccn2C)cc1 ZINC000161379216 311365146 /nfs/dbraw/zinc/36/51/46/311365146.db2.gz CLSPSJZGSNYKFW-INIZCTEOSA-N 1 0 337.383 2.047 20 70 EEIDRO CC(C)[NH+](CCNC(=O)N1CCCN(CC(F)F)CC1)C(C)C ZINC000159720401 463301441 /nfs/dbraw/zinc/30/14/41/463301441.db2.gz HNCWQRLOFWPNNX-UHFFFAOYSA-N 1 0 334.455 2.088 20 70 EEIDRO CC[N@@H+]1CCCN(C(=O)NCCCOc2cccc(OC)c2)CC1 ZINC000159887481 463308941 /nfs/dbraw/zinc/30/89/41/463308941.db2.gz OVRYPOQXUWQKMS-UHFFFAOYSA-N 1 0 335.448 2.201 20 70 EEIDRO CC(C)[C@@H](CNC(=O)N[C@@H]1CCc2n[nH]cc2C1)[NH+]1CCC(C)CC1 ZINC000160113042 463319840 /nfs/dbraw/zinc/31/98/40/463319840.db2.gz GOZGOJGKVNEXDY-SJLPKXTDSA-N 1 0 347.507 2.323 20 70 EEIDRO CN(C)C(=O)CN1CCC([NH2+][C@H]2CC(C)(C)Cc3occc32)CC1 ZINC000160384996 463333403 /nfs/dbraw/zinc/33/34/03/463333403.db2.gz CJMYNXMJFADRAO-INIZCTEOSA-N 1 0 333.476 2.435 20 70 EEIDRO C[C@@H]1CCC[C@](CNC(=O)c2cccc3[nH]c(=O)oc32)([NH+](C)C)C1 ZINC000160412897 463335752 /nfs/dbraw/zinc/33/57/52/463335752.db2.gz KKOVSHGWKJHMNX-XIKOKIGWSA-N 1 0 331.416 2.361 20 70 EEIDRO C[C@@H](Oc1ccccc1Cl)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160422062 463337712 /nfs/dbraw/zinc/33/77/12/463337712.db2.gz JSSXEIAYPADOFP-ZIAGYGMSSA-N 1 0 340.851 2.070 20 70 EEIDRO COc1ccccc1/C(C)=C/C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160488996 463343180 /nfs/dbraw/zinc/34/31/80/463343180.db2.gz KIIUFJOZDKFCBV-ASNKMWSDSA-N 1 0 332.444 2.062 20 70 EEIDRO CC[C@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccc(OC)c(OC)c1 ZINC000160559135 463349986 /nfs/dbraw/zinc/34/99/86/463349986.db2.gz FDPIPUAOBWKJHX-NSHDSACASA-N 1 0 334.338 2.423 20 70 EEIDRO C[C@@H]1CCc2c(C(=O)NCC3CC[NH+](CCO)CC3)csc2C1 ZINC000160688239 463362425 /nfs/dbraw/zinc/36/24/25/463362425.db2.gz VSDTUNXENPBJHH-CYBMUJFWSA-N 1 0 336.501 2.307 20 70 EEIDRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C3(NC(N)=O)CC3)cc2)C1 ZINC000160851245 463377047 /nfs/dbraw/zinc/37/70/47/463377047.db2.gz UXAFDAOHTBGOPP-CYBMUJFWSA-N 1 0 330.432 2.058 20 70 EEIDRO COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)CC[NH2+]C(C)C ZINC000160918658 463381293 /nfs/dbraw/zinc/38/12/93/463381293.db2.gz ATQSZFRVDBQOEU-INIZCTEOSA-N 1 0 347.459 2.321 20 70 EEIDRO C[NH+](C)CCN(Cc1ccco1)C(=O)N[C@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000161040864 463394085 /nfs/dbraw/zinc/39/40/85/463394085.db2.gz GPVBGJVGXDPLMW-IKGGRYGDSA-N 1 0 347.459 2.310 20 70 EEIDRO C[C@@H](NC(=O)N1CCC([N@H+](C)CCO)CC1)c1ccc(F)cc1F ZINC000161106556 463399836 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Cc1cn(-c2ccccc2)nc1NC(=O)N[C@@H](C)[C@@H]1CN(C)CCO1 ZINC000159374183 539516087 /nfs/dbraw/zinc/51/60/87/539516087.db2.gz ARSNBYIANPLOOF-HOCLYGCPSA-N 1 0 343.431 2.021 20 70 EEIDRO O=C(CCSc1ccc(F)cc1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160202829 237233610 /nfs/dbraw/zinc/23/36/10/237233610.db2.gz WUHDPXNLKXVNJI-OAHLLOKOSA-N 1 0 340.464 2.271 20 70 EEIDRO C[NH2+]C[C@H]1CCCN1C(=O)CN[C@@H](c1ccccc1)C(F)(F)F ZINC000161204781 283594382 /nfs/dbraw/zinc/59/43/82/283594382.db2.gz KRGAMSMHHYPKSK-HIFRSBDPSA-N 1 0 329.366 2.090 20 70 EEIDRO CCOc1cccc(N2CCN(CCC[NH+]3CCCCC3)CC2)n1 ZINC000161004086 255801603 /nfs/dbraw/zinc/80/16/03/255801603.db2.gz YEAMSSYLWCZYRL-UHFFFAOYSA-N 1 0 332.492 2.478 20 70 EEIDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](C)C(=O)NC(C)(C)C ZINC000160907495 255801126 /nfs/dbraw/zinc/80/11/26/255801126.db2.gz NCABFTCCAZKJIF-LSDHHAIUSA-N 1 0 340.512 2.099 20 70 EEIDRO CCc1noc2ncc(C(=O)N3CCC([NH2+]CC4CC4)CC3)cc12 ZINC000159743072 225268572 /nfs/dbraw/zinc/26/85/72/225268572.db2.gz SYLVDSYGYXHVDT-UHFFFAOYSA-N 1 0 328.416 2.389 20 70 EEIDRO Cc1cc(Br)ccc1NC(=O)CN(C)[C@H](C[NH3+])C1CC1 ZINC000160089551 225335551 /nfs/dbraw/zinc/33/55/51/225335551.db2.gz FVUZSDYHBOXBQG-CQSZACIVSA-N 1 0 340.265 2.365 20 70 EEIDRO C[C@H](Oc1cccc(Br)c1)C(=O)N1CCC[C@H]1C[NH3+] ZINC000160323365 273985095 /nfs/dbraw/zinc/98/50/95/273985095.db2.gz URSSEBSKQOZCLE-JQWIXIFHSA-N 1 0 327.222 2.166 20 70 EEIDRO CCC(=O)N1CC[C@@H](C(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000159672581 311344212 /nfs/dbraw/zinc/34/42/12/311344212.db2.gz FBHNAJQKLCKNDB-OWCLPIDISA-N 1 0 337.508 2.118 20 70 EEIDRO CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1C(=O)NCC[NH+]1CCCCC1 ZINC000159889437 311347436 /nfs/dbraw/zinc/34/74/36/311347436.db2.gz HMZJUSSTHRPGLF-GJZGRUSLSA-N 1 0 339.480 2.282 20 70 EEIDRO CC(C)[C@H](CNC(=O)C[N@H+](C)[C@@H]1CCSC1)[NH+]1CCC(C)CC1 ZINC000160004283 311348840 /nfs/dbraw/zinc/34/88/40/311348840.db2.gz DISGCKKZAXFVBD-SJORKVTESA-N 1 0 341.565 2.296 20 70 EEIDRO Cc1c(CNC(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)cnn1C ZINC000160516615 311355340 /nfs/dbraw/zinc/35/53/40/311355340.db2.gz KUNSGPFZPQUVFF-KBPBESRZSA-N 1 0 335.496 2.284 20 70 EEIDRO CCc1cc(=O)[nH]c(CN2CC[NH+](Cc3cccc(C)c3)CC2)n1 ZINC000160549571 311355776 /nfs/dbraw/zinc/35/57/76/311355776.db2.gz PEZIJZRZIDJFCP-UHFFFAOYSA-N 1 0 326.444 2.371 20 70 EEIDRO Cc1ccc(C)c([C@H](C)[NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)c1 ZINC000160777191 311358237 /nfs/dbraw/zinc/35/82/37/311358237.db2.gz WKQFASPGINXPIE-HNNXBMFYSA-N 1 0 339.439 2.369 20 70 EEIDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cc(N(C)C)ccn1 ZINC000159370206 463282522 /nfs/dbraw/zinc/28/25/22/463282522.db2.gz DPGTXTMQIKKHDD-BEFAXECRSA-N 1 0 338.455 2.398 20 70 EEIDRO [NH3+]C1(CNC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)CCCCC1 ZINC000159465928 463287398 /nfs/dbraw/zinc/28/73/98/463287398.db2.gz USQIOJFUHIBDAM-CYBMUJFWSA-N 1 0 349.862 2.471 20 70 EEIDRO CN(CC(=O)Nc1cccc(Cl)c1)C(=O)[C@@H]1CCn2ccnc2C1 ZINC000159746486 463302704 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Cc1c(/C=C/C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)cnn1C ZINC000160608047 463354644 /nfs/dbraw/zinc/35/46/44/463354644.db2.gz VDOJTBLJFHHPKE-ZGKFYVQTSA-N 1 0 326.444 2.031 20 70 EEIDRO CC(C)c1cc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)[nH]n1 ZINC000160701135 463363964 /nfs/dbraw/zinc/36/39/64/463363964.db2.gz SRBIKKKKLVIHKM-IRXDYDNUSA-N 1 0 334.464 2.031 20 70 EEIDRO CN(Cc1cc2c(cc1OC(F)F)OCO2)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000160767471 463369258 /nfs/dbraw/zinc/36/92/58/463369258.db2.gz GFJKLYPVDJHZCZ-NSHDSACASA-N 1 0 342.342 2.117 20 70 EEIDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(-n3ccnn3)c2)C1 ZINC000160852795 463377176 /nfs/dbraw/zinc/37/71/76/463377176.db2.gz DQVPAOXIZZBTNF-INIZCTEOSA-N 1 0 341.459 2.365 20 70 EEIDRO CSCC[C@H]([NH3+])C(=O)NC[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000160969398 463386518 /nfs/dbraw/zinc/38/65/18/463386518.db2.gz FEFQCANVBICXHZ-NWDGAFQWSA-N 1 0 337.272 2.223 20 70 EEIDRO CC[NH2+]CC1CCN(C(=O)c2ncccc2OCC(F)F)CC1 ZINC000161003656 463389256 /nfs/dbraw/zinc/38/92/56/463389256.db2.gz YYHDMQWEFRSLHB-UHFFFAOYSA-N 1 0 327.375 2.187 20 70 EEIDRO C[C@H](CC(=O)NCc1cc(=O)[nH]c2ccccc12)[C@@H]1CCC[NH2+]C1 ZINC000161047211 463393802 /nfs/dbraw/zinc/39/38/02/463393802.db2.gz IZKSFTJABWWEQL-ZIAGYGMSSA-N 1 0 327.428 2.170 20 70 EEIDRO CSCC[C@H]([NH3+])C(=O)Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1 ZINC000161041513 463393848 /nfs/dbraw/zinc/39/38/48/463393848.db2.gz XVSZHYGSRRQQKF-HRCADAONSA-N 1 0 338.473 2.388 20 70 EEIDRO C[C@H](CNC(=O)C1([NH3+])Cc2ccccc2C1)Oc1ccc(F)cc1 ZINC000161122070 463401645 /nfs/dbraw/zinc/40/16/45/463401645.db2.gz QTRCJPPFXXHVOX-CYBMUJFWSA-N 1 0 328.387 2.206 20 70 EEIDRO C[NH2+]C[C@@H]1CCCN1C(=O)CN[C@@H](c1ccccc1)C(F)(F)F ZINC000161204699 463410600 /nfs/dbraw/zinc/41/06/00/463410600.db2.gz KRGAMSMHHYPKSK-ZFWWWQNUSA-N 1 0 329.366 2.090 20 70 EEIDRO C[C@@H](NC(=O)N1CCC([N@H+](C)CCO)CC1)c1cccc(Cl)c1 ZINC000161236430 463412618 /nfs/dbraw/zinc/41/26/18/463412618.db2.gz MDDRPZXDCODIPK-CYBMUJFWSA-N 1 0 339.867 2.499 20 70 EEIDRO Cc1c(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)nnn1-c1cccc(Cl)c1 ZINC000161292962 463416943 /nfs/dbraw/zinc/41/69/43/463416943.db2.gz RCXGWAAUVKCYOQ-CHWSQXEVSA-N 1 0 333.823 2.229 20 70 EEIDRO CCOCCC1(C(=O)NC[C@H](C(C)C)N2CCOCC2)CCC1 ZINC000161471904 463431894 /nfs/dbraw/zinc/43/18/94/463431894.db2.gz KBCKEKAHWHHJBQ-MRXNPFEDSA-N 1 0 326.481 2.056 20 70 EEIDRO O=C(NC[C@@H](O)c1ccsc1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000161501115 463434792 /nfs/dbraw/zinc/43/47/92/463434792.db2.gz BLBURIJROOXBRR-MRXNPFEDSA-N 1 0 330.453 2.219 20 70 EEIDRO C[C@@H](Cc1ccccc1F)C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000159688079 534249657 /nfs/dbraw/zinc/24/96/57/534249657.db2.gz FSQBOHJEFHHHQY-INIZCTEOSA-N 1 0 335.467 2.100 20 70 EEIDRO C[C@@H]1C[NH+](CCCCNc2ccc(S(C)(=O)=O)cc2)C[C@@H](C)O1 ZINC000159422128 534463156 /nfs/dbraw/zinc/46/31/56/534463156.db2.gz JZCRXCDPRLWOSW-HUUCEWRRSA-N 1 0 340.489 2.391 20 70 EEIDRO CC[N@@H+]1CCCN(C(=O)NCc2ccc(OCC3CC3)nc2)CC1 ZINC000159787379 529026918 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CC1CCC(N(C)C(=O)CN2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000161364951 539526927 /nfs/dbraw/zinc/52/69/27/539526927.db2.gz FCAZSEWWHXKDCT-UHFFFAOYSA-N 1 0 330.476 2.241 20 70 EEIDRO COC1(C(=O)Nc2ccc(OCC3CCOCC3)cc2)CC[NH2+]CC1 ZINC000159416409 225213823 /nfs/dbraw/zinc/21/38/23/225213823.db2.gz LQVGGLZWESYOMC-UHFFFAOYSA-N 1 0 348.443 2.199 20 70 EEIDRO C[C@H](O)C[N@H+](C)[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O ZINC000159537717 225236849 /nfs/dbraw/zinc/23/68/49/225236849.db2.gz AVXSQNVGLWQDEX-GXFFZTMASA-N 1 0 332.322 2.003 20 70 EEIDRO Cc1ccc(NC(=O)NC(=O)C[N@H+](C)C[C@H]2CCC[C@@H]2O)cc1C ZINC000159786757 225276660 /nfs/dbraw/zinc/27/66/60/225276660.db2.gz VXLBLTFBXKPAOQ-ZBFHGGJFSA-N 1 0 333.432 2.044 20 70 EEIDRO Cc1ccc(NC(=O)C(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cn1 ZINC000160089234 225334756 /nfs/dbraw/zinc/33/47/56/225334756.db2.gz GLDBTOOIUURFEY-GJZGRUSLSA-N 1 0 346.475 2.203 20 70 EEIDRO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1Cc1cnc(C2CC2)s1 ZINC000159454378 311341307 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C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CCNC(=O)C1CCCCC1 ZINC000160968758 311360524 /nfs/dbraw/zinc/36/05/24/311360524.db2.gz DJPPLAIEWDRNCC-HZPDHXFCSA-N 1 0 337.508 2.310 20 70 EEIDRO NC(=O)[C@H]1CCCN1C1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000159399627 463284030 /nfs/dbraw/zinc/28/40/30/463284030.db2.gz ZIZMEEFMQTVXPH-GOSISDBHSA-N 1 0 338.455 2.149 20 70 EEIDRO COc1cc(C)ccc1NC(=O)C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000159414464 463284425 /nfs/dbraw/zinc/28/44/25/463284425.db2.gz LKRIPFWMTVCCCW-HNNXBMFYSA-N 1 0 347.459 2.036 20 70 EEIDRO CCCCOC(=O)[C@H](C)N1CCC[C@@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000159638367 463296226 /nfs/dbraw/zinc/29/62/26/463296226.db2.gz FGLKPSRPDINRFC-VVLHAWIVSA-N 1 0 326.481 2.292 20 70 EEIDRO COCC[NH2+]CC(=O)Nc1cc(C(C)C)nn1-c1ccc(C)cc1 ZINC000159912377 463310147 /nfs/dbraw/zinc/31/01/47/463310147.db2.gz CFPFYVMWTSCRQX-UHFFFAOYSA-N 1 0 330.432 2.479 20 70 EEIDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(CCCCO)C1CC1 ZINC000159929077 463311164 /nfs/dbraw/zinc/31/11/64/463311164.db2.gz PFPLCSCUMRNZLV-APWZRJJASA-N 1 0 345.487 2.453 20 70 EEIDRO [NH3+]C[C@H]1CCCN1C(=O)c1cccc(-n2nccc2C(F)(F)F)c1 ZINC000160389472 463333654 /nfs/dbraw/zinc/33/36/54/463333654.db2.gz ICKZFCYSXFYIDG-CYBMUJFWSA-N 1 0 338.333 2.454 20 70 EEIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)CCC(=O)CCC(=O)c2cccs2)C1 ZINC000161077394 463397073 /nfs/dbraw/zinc/39/70/73/463397073.db2.gz GWTHEQQGEYKIHJ-OLZOCXBDSA-N 1 0 336.457 2.446 20 70 EEIDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCC[C@H](CO)C2)CC1 ZINC000161295864 463417201 /nfs/dbraw/zinc/41/72/01/463417201.db2.gz BMPKWYWLPROGNZ-CVEARBPZSA-N 1 0 346.475 2.021 20 70 EEIDRO CC[C@@H]1Oc2cc([C@H](C)NC(=O)C3(C[NH3+])CCCC3)ccc2NC1=O ZINC000161369243 463425642 /nfs/dbraw/zinc/42/56/42/463425642.db2.gz HVLDWDZXUFIFMC-WFASDCNBSA-N 1 0 345.443 2.492 20 70 EEIDRO [NH3+]C1(CNC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)CCCCC1 ZINC000159561582 534547864 /nfs/dbraw/zinc/54/78/64/534547864.db2.gz MDCDLMFQBYRYEP-UHFFFAOYSA-N 1 0 346.399 2.074 20 70 EEIDRO CCC[C@H](NC(=O)N1CCC[N@H+](CC)CC1)c1nnc2ccccn21 ZINC000159791448 528183453 /nfs/dbraw/zinc/18/34/53/528183453.db2.gz FAXUCHJEUNAERU-HNNXBMFYSA-N 1 0 344.463 2.308 20 70 EEIDRO CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000159714164 528576742 /nfs/dbraw/zinc/57/67/42/528576742.db2.gz DXZXWCMUKXPUBQ-QGZVFWFLSA-N 1 0 349.475 2.463 20 70 EEIDRO CC[NH+]1CCC(NC(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000160295994 528983523 /nfs/dbraw/zinc/98/35/23/528983523.db2.gz PVBFMPXNHAPXEF-QGZVFWFLSA-N 1 0 333.432 2.460 20 70 EEIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](C)c2cccc(NC(C)=O)c2)CC1 ZINC000159595859 529030726 /nfs/dbraw/zinc/03/07/26/529030726.db2.gz CEBWCIUDZNRSND-CQSZACIVSA-N 1 0 332.448 2.443 20 70 EEIDRO C[C@@H](CC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)c1ccncc1 ZINC000159609600 539516850 /nfs/dbraw/zinc/51/68/50/539516850.db2.gz TZUBJRLVUOAUKZ-INIZCTEOSA-N 1 0 344.503 2.250 20 70 EEIDRO O=C(CC[C@@H]1CCCCO1)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160376905 539521581 /nfs/dbraw/zinc/52/15/81/539521581.db2.gz CVMAKSHOUKYUGR-BZSNNMDCSA-N 1 0 338.492 2.220 20 70 EEIDRO COC1(C(=O)NC[C@@H]2CCCO[C@@H]2c2ccc(C)cc2)CC[NH2+]CC1 ZINC000159535655 284672750 /nfs/dbraw/zinc/67/27/50/284672750.db2.gz ZLTKSEGMSQQACM-ZWKOTPCHSA-N 1 0 346.471 2.348 20 70 EEIDRO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC000159806879 225282071 /nfs/dbraw/zinc/28/20/71/225282071.db2.gz PFGISGJURYJADC-NSHDSACASA-N 1 0 344.440 2.321 20 70 EEIDRO CC(=O)CCC(C)(C)C(=O)NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000160496737 311354705 /nfs/dbraw/zinc/35/47/05/311354705.db2.gz UYJNHFCKUYZFQE-ZWKOTPCHSA-N 1 0 346.471 2.133 20 70 EEIDRO CCCN(C(=O)[C@H](C)[N@H+](CC)C[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 ZINC000160564500 311355640 /nfs/dbraw/zinc/35/56/40/311355640.db2.gz BAKXGNSEWOIREM-JYJNAYRXSA-N 1 0 346.537 2.169 20 70 EEIDRO C[NH+](C)CC1(CNC(=O)c2cnc(C(F)(F)F)nc2)CCCC1 ZINC000160536628 311355653 /nfs/dbraw/zinc/35/56/53/311355653.db2.gz JCEMSWRYHVRSQP-UHFFFAOYSA-N 1 0 330.354 2.347 20 70 EEIDRO COc1cccc(COCCNC(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)c1 ZINC000160570222 311356001 /nfs/dbraw/zinc/35/60/01/311356001.db2.gz JZOILQOKTKUQDX-GOSISDBHSA-N 1 0 349.475 2.193 20 70 EEIDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cccc3[nH]c(=O)oc32)C1 ZINC000160691081 311357486 /nfs/dbraw/zinc/35/74/86/311357486.db2.gz KMPAPQDNOOBTRS-GFCCVEGCSA-N 1 0 331.416 2.361 20 70 EEIDRO C[C@@H](CNC(=O)Nc1ccnn1C[C@@H]1CCOC1)C[NH+]1CCCCC1 ZINC000159390656 463284129 /nfs/dbraw/zinc/28/41/29/463284129.db2.gz BNGNOHUQFVDZEH-HOTGVXAUSA-N 1 0 349.479 2.163 20 70 EEIDRO NC(=O)[C@H]1CCCN1C1CC[NH+](CCSc2ccccc2)CC1 ZINC000159401692 463284841 /nfs/dbraw/zinc/28/48/41/463284841.db2.gz HIBQUQONBFAKGA-QGZVFWFLSA-N 1 0 333.501 2.193 20 70 EEIDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C1CCC(C)(C)CC1 ZINC000159770611 463304205 /nfs/dbraw/zinc/30/42/05/463304205.db2.gz ZDITYEKGCSHSKP-INIZCTEOSA-N 1 0 337.508 2.262 20 70 EEIDRO Cc1c[nH]c(=O)n1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NCC(C)C)cc1 ZINC000159860562 463308378 /nfs/dbraw/zinc/30/83/78/463308378.db2.gz QQEBHTCUZLYUFT-GJZGRUSLSA-N 1 0 344.459 2.285 20 70 EEIDRO CC(C)[NH2+]C1CCN(C(=O)Nc2ccc(C(C)(C)C(N)=O)cc2)CC1 ZINC000160087009 463318856 /nfs/dbraw/zinc/31/88/56/463318856.db2.gz BINOEMDIECYVFY-UHFFFAOYSA-N 1 0 346.475 2.444 20 70 EEIDRO CCOc1ccccc1N1C[C@H](C(=O)NCC([NH3+])(CC)CC)CC1=O ZINC000160488588 463342774 /nfs/dbraw/zinc/34/27/74/463342774.db2.gz FRZPJOXFLIJDKO-CQSZACIVSA-N 1 0 347.459 2.072 20 70 EEIDRO Cc1ccc(OCC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000160579697 463351041 /nfs/dbraw/zinc/35/10/41/463351041.db2.gz LEKWTYQAPUXVFY-MOPGFXCFSA-N 1 0 346.471 2.258 20 70 EEIDRO Cn1cc(Cl)cc1C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160608447 463354800 /nfs/dbraw/zinc/35/48/00/463354800.db2.gz ZCRWIOGKPRLGIL-HOCLYGCPSA-N 1 0 339.867 2.176 20 70 EEIDRO C[NH+]1CCC(CCNC(=O)Nc2ccn(CC(F)(F)F)n2)CC1 ZINC000160636363 463357184 /nfs/dbraw/zinc/35/71/84/463357184.db2.gz WUCYNFYBJSUYST-UHFFFAOYSA-N 1 0 333.358 2.299 20 70 EEIDRO Cn1cc(CCC(=O)NC[C@@H](O)C[NH+]2CCCCC2)c2ccccc21 ZINC000160631377 463357416 /nfs/dbraw/zinc/35/74/16/463357416.db2.gz KEIFTPOENZZJSD-QGZVFWFLSA-N 1 0 343.471 2.074 20 70 EEIDRO CSCC[C@H]([NH3+])C(=O)Nc1ccc(CN(C(C)=O)C2CC2)cc1 ZINC000160953784 463384885 /nfs/dbraw/zinc/38/48/85/463384885.db2.gz HKGKUUFYWYKMOR-INIZCTEOSA-N 1 0 335.473 2.216 20 70 EEIDRO Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1ccccc1CS(C)(=O)=O ZINC000160959109 463385886 /nfs/dbraw/zinc/38/58/86/463385886.db2.gz LSOFITHEOOBNSP-INIZCTEOSA-N 1 0 333.457 2.132 20 70 EEIDRO Cc1c(/C=C/C(=O)N(CC[NH+](C)C)Cc2ccccc2F)cnn1C ZINC000161009275 463390728 /nfs/dbraw/zinc/39/07/28/463390728.db2.gz RQTLPINDHIZPGO-MDZDMXLPSA-N 1 0 344.434 2.471 20 70 EEIDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H](CCO)c2ccccc2)c1 ZINC000161039293 463393679 /nfs/dbraw/zinc/39/36/79/463393679.db2.gz KTIPSECSCXSELB-KBXCAEBGSA-N 1 0 348.468 2.369 20 70 EEIDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NCc2ccccc2CO)C1 ZINC000161133956 463403013 /nfs/dbraw/zinc/40/30/13/463403013.db2.gz GJBGLQICTOJNNA-IYBDPMFKSA-N 1 0 333.476 2.346 20 70 EEIDRO C[NH2+]C[C@H](C)C(=O)NC[C@@H](C)Oc1ccccc1Br ZINC000161142043 463404379 /nfs/dbraw/zinc/40/43/79/463404379.db2.gz AQISXMUBMGQLOI-WDEREUQCSA-N 1 0 329.238 2.188 20 70 EEIDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)Nc1ccc(-c2ncn(C)n2)cc1 ZINC000161219337 463411331 /nfs/dbraw/zinc/41/13/31/463411331.db2.gz RJFSFLFXSQJDLL-MRXNPFEDSA-N 1 0 342.447 2.286 20 70 EEIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)C1 ZINC000161273562 463414574 /nfs/dbraw/zinc/41/45/74/463414574.db2.gz MPYFHDYVAYQUPL-ZIAGYGMSSA-N 1 0 342.443 2.444 20 70 EEIDRO COCC[NH+]1CCC(NC(=O)Nc2ccn(CCC(C)C)n2)CC1 ZINC000161268000 463415028 /nfs/dbraw/zinc/41/50/28/463415028.db2.gz RMPAYPFXZKRDGJ-UHFFFAOYSA-N 1 0 337.468 2.162 20 70 EEIDRO C[NH2+]C[C@H]1CCCN1C(=O)CCCc1nc(-c2cccs2)no1 ZINC000161371128 463425684 /nfs/dbraw/zinc/42/56/84/463425684.db2.gz YFGQWGKIZXKDJA-GFCCVEGCSA-N 1 0 334.445 2.331 20 70 EEIDRO CC[C@@H]1Oc2cc([C@@H](C)NC(=O)c3ccc(C[NH3+])o3)ccc2NC1=O ZINC000161373021 463426930 /nfs/dbraw/zinc/42/69/30/463426930.db2.gz ULALJJJQLKTHTE-YGRLFVJLSA-N 1 0 343.383 2.339 20 70 EEIDRO C[C@]1(C(=O)Nc2ccc(C(=O)NCC(F)(F)F)cc2)CCC[NH2+]C1 ZINC000161384479 463428039 /nfs/dbraw/zinc/42/80/39/463428039.db2.gz KYAGIJPMTJXRBN-HNNXBMFYSA-N 1 0 343.349 2.307 20 70 EEIDRO CC(C)CC(=O)NCCC(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000161418961 463429811 /nfs/dbraw/zinc/42/98/11/463429811.db2.gz NKBUNQYMIOMIFZ-YJBOKZPZSA-N 1 0 325.497 2.166 20 70 EEIDRO CSCC[C@@H]([NH3+])C(=O)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000161454131 463431162 /nfs/dbraw/zinc/43/11/62/463431162.db2.gz ILVQCUYAZDDNFZ-DZGCQCFKSA-N 1 0 338.448 2.327 20 70 EEIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2ccc(-c3n[nH]c(C4CC4)n3)cc2)C1 ZINC000161445336 463431306 /nfs/dbraw/zinc/43/13/06/463431306.db2.gz POJOUEXDKLRGJV-LSDHHAIUSA-N 1 0 325.416 2.349 20 70 EEIDRO CSc1cc(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)ccc1F ZINC000159361461 534140502 /nfs/dbraw/zinc/14/05/02/534140502.db2.gz FGNRCGRYKWHGJR-ZDUSSCGKSA-N 1 0 339.480 2.161 20 70 EEIDRO CC(C)[C@@H](C(=O)N(C)Cc1ccccc1N1CCOCC1)[NH+](C)C ZINC000159972540 528350912 /nfs/dbraw/zinc/35/09/12/528350912.db2.gz UGJFPQLCZFXPHN-SFHVURJKSA-N 1 0 333.476 2.068 20 70 EEIDRO CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]C1)C(=O)OCc1ccccc1 ZINC000160113416 528567154 /nfs/dbraw/zinc/56/71/54/528567154.db2.gz ZOJZAXDIXJRPNJ-SJORKVTESA-N 1 0 332.444 2.260 20 70 EEIDRO CCc1ccccc1NC(=O)C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000159399477 529589729 /nfs/dbraw/zinc/58/97/29/529589729.db2.gz ZVCNMDGBJJXGFZ-OAHLLOKOSA-N 1 0 331.460 2.282 20 70 EEIDRO CC[C@H](C)N(C)CC[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(OC)c1 ZINC000160101326 529690670 /nfs/dbraw/zinc/69/06/70/529690670.db2.gz OAZNJUCOVMUPDK-KBPBESRZSA-N 1 0 342.505 2.480 20 70 EEIDRO Cc1sc(-c2ccco2)nc1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000159973423 237227293 /nfs/dbraw/zinc/22/72/93/237227293.db2.gz ZMKOOAHBIXEOCQ-CYBMUJFWSA-N 1 0 349.456 2.288 20 70 EEIDRO COCC[N@H+](C)CCCNC(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000159427116 225215238 /nfs/dbraw/zinc/21/52/38/225215238.db2.gz FOBFLGUDTPLBBS-AWEZNQCLSA-N 1 0 349.258 2.111 20 70 EEIDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(C)Cc1nccn1C ZINC000159925121 225303224 /nfs/dbraw/zinc/30/32/24/225303224.db2.gz YQQGIWZWQRJRFR-WBVHZDCISA-N 1 0 341.459 2.082 20 70 EEIDRO CCC[C@@H]1CN(C(=O)N[C@@H](C)c2ccccn2)CC[N@@H+]1CCOC ZINC000159829044 311347166 /nfs/dbraw/zinc/34/71/66/311347166.db2.gz FZFMPMUZKFAUDP-JKSUJKDBSA-N 1 0 334.464 2.285 20 70 EEIDRO C[C@@H](C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1)[NH+]1[C@H](C)CC[C@H]1C ZINC000160112406 311350152 /nfs/dbraw/zinc/35/01/52/311350152.db2.gz NLNUPMQMOZNMEF-APIJFGDWSA-N 1 0 339.480 2.373 20 70 EEIDRO CC(C)c1nc(CN2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)cs1 ZINC000159363485 463281659 /nfs/dbraw/zinc/28/16/59/463281659.db2.gz LJGDSTARWOPNTM-OAHLLOKOSA-N 1 0 336.505 2.181 20 70 EEIDRO CO[C@@]1(C[NH2+]CCOc2ccc(Br)cc2)CCOC1 ZINC000160360397 463331744 /nfs/dbraw/zinc/33/17/44/463331744.db2.gz BSOYVEJBLIIYRZ-CQSZACIVSA-N 1 0 330.222 2.223 20 70 EEIDRO CCC(CC)(CNC(=O)N[C@@H](C)C[NH+]1CCCCC1)C(=O)OC ZINC000159616402 463295486 /nfs/dbraw/zinc/29/54/86/463295486.db2.gz YAXATDGITDLPDR-AWEZNQCLSA-N 1 0 327.469 2.139 20 70 EEIDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NC1(CO)CCCC1 ZINC000159964604 463313183 /nfs/dbraw/zinc/31/31/83/463313183.db2.gz KSDDZDKJMIXGRW-WBVHZDCISA-N 1 0 331.460 2.111 20 70 EEIDRO Cc1ccccc1C(=O)N[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)C(C)C ZINC000160114071 463320460 /nfs/dbraw/zinc/32/04/60/463320460.db2.gz FOSIOFOKXNLUTE-SOLBZPMBSA-N 1 0 343.471 2.102 20 70 EEIDRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+][C@H](CCO)CSC)cc1 ZINC000160298938 463327570 /nfs/dbraw/zinc/32/75/70/463327570.db2.gz UTSAYVWBZOYBSO-IUODEOHRSA-N 1 0 346.518 2.213 20 70 EEIDRO CCc1ccc(C(C)(C)C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000160483510 463342184 /nfs/dbraw/zinc/34/21/84/463342184.db2.gz PDRJSJPRTDKWNO-GOSISDBHSA-N 1 0 332.488 2.490 20 70 EEIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1csc(-c2ccccc2)n1 ZINC000160547560 463349717 /nfs/dbraw/zinc/34/97/17/463349717.db2.gz WYVMGVAYTHEZNG-OAHLLOKOSA-N 1 0 345.468 2.387 20 70 EEIDRO C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccc(N2CCCC2=O)cc1 ZINC000160607862 463355433 /nfs/dbraw/zinc/35/54/33/463355433.db2.gz SARLGRWGQNXLNQ-LLVKDONJSA-N 1 0 343.349 2.143 20 70 EEIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccccc1OCC1CC1 ZINC000160634519 463357931 /nfs/dbraw/zinc/35/79/31/463357931.db2.gz WJXCLCGDBIADDF-MRXNPFEDSA-N 1 0 332.444 2.052 20 70 EEIDRO COCc1ccc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000160724926 463366092 /nfs/dbraw/zinc/36/60/92/463366092.db2.gz KZZZTDQZZPSCNT-RTBURBONSA-N 1 0 346.471 2.331 20 70 EEIDRO O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@@H]1CCn2ccnc2C1 ZINC000160886647 463379122 /nfs/dbraw/zinc/37/91/22/463379122.db2.gz NMWKHQPGUOILMX-MRXNPFEDSA-N 1 0 330.476 2.216 20 70 EEIDRO CC[NH2+]CC1CCN(C(=O)c2cc(=O)[nH]c3cc(F)ccc32)CC1 ZINC000161047309 463394517 /nfs/dbraw/zinc/39/45/17/463394517.db2.gz YWZGZBFETOPXBX-UHFFFAOYSA-N 1 0 331.391 2.129 20 70 EEIDRO C[C@@H](CNC(=O)[C@]1(C)CC[NH2+]C1)Oc1ccccc1Br ZINC000161140581 463403177 /nfs/dbraw/zinc/40/31/77/463403177.db2.gz USVVGEONKVCWOG-XHDPSFHLSA-N 1 0 341.249 2.332 20 70 EEIDRO CC(=O)Nc1cccc(OCC[NH2+]C2CCC(NC(C)=O)CC2)c1 ZINC000161444298 463430684 /nfs/dbraw/zinc/43/06/84/463430684.db2.gz QRXXCEJAVKQWIB-UHFFFAOYSA-N 1 0 333.432 2.061 20 70 EEIDRO O=C1[C@H]([NH2+]C2CCC3(CC2)OCCO3)CCN1c1ccccc1F ZINC000161474588 463433197 /nfs/dbraw/zinc/43/31/97/463433197.db2.gz JAELNBFLQBEXBF-OAHLLOKOSA-N 1 0 334.391 2.206 20 70 EEIDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cccc(NC(=O)N(C)C)c1 ZINC000159756294 533820679 /nfs/dbraw/zinc/82/06/79/533820679.db2.gz BEIFMNZXLIVPBY-AWEZNQCLSA-N 1 0 332.448 2.384 20 70 EEIDRO C[C@H]1C[NH+](CCCCNC(=O)c2cccc3[nH]cnc32)C[C@H](C)O1 ZINC000159829067 533930359 /nfs/dbraw/zinc/93/03/59/533930359.db2.gz WQICATUOSGFUSV-KBPBESRZSA-N 1 0 330.432 2.182 20 70 EEIDRO CCC(CC)(C[NH2+]CC(=O)Nc1cc(F)ccc1F)C(=O)OC ZINC000159685847 528691337 /nfs/dbraw/zinc/69/13/37/528691337.db2.gz OARAENGYEWMYMF-UHFFFAOYSA-N 1 0 328.359 2.472 20 70 EEIDRO CC[N@@H+]1CCCN(C(=O)NCCn2c(C)nc3ccccc32)CC1 ZINC000159554820 529024477 /nfs/dbraw/zinc/02/44/77/529024477.db2.gz LTRAUBKZYYZDEO-UHFFFAOYSA-N 1 0 329.448 2.082 20 70 EEIDRO CCC[C@H](C)N1C[C@H](C(=O)N2CCC([NH2+]CC3CC3)CC2)CC1=O ZINC000159823818 535639781 /nfs/dbraw/zinc/63/97/81/535639781.db2.gz UDORUZAIRJICQG-GOEBONIOSA-N 1 0 335.492 2.014 20 70 EEIDRO CC[C@@](C)(CCO)NC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000160001392 529495966 /nfs/dbraw/zinc/49/59/66/529495966.db2.gz VUPBGBUQWAGMSH-IEZWGBDMSA-N 1 0 333.476 2.357 20 70 EEIDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)CCN1c2ccccc2CCC1=O ZINC000159767183 539517498 /nfs/dbraw/zinc/51/74/98/539517498.db2.gz BPJWYNNVGDGTGT-KRWDZBQOSA-N 1 0 343.471 2.347 20 70 EEIDRO Cc1ccc(S[C@@H](C)C(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000160071597 237231922 /nfs/dbraw/zinc/23/19/22/237231922.db2.gz ALKTZBYDNSLBEX-HOTGVXAUSA-N 1 0 336.501 2.439 20 70 EEIDRO CC(=O)NCc1ccc(C(=O)NCC[NH2+]C2CCCCCC2)s1 ZINC000159651060 255796410 /nfs/dbraw/zinc/79/64/10/255796410.db2.gz RLENBIYTCRKLRL-UHFFFAOYSA-N 1 0 337.489 2.426 20 70 EEIDRO COc1ccc2c(c1)C[C@@H](C(=O)N1CCC([NH2+]CC3CC3)CC1)CO2 ZINC000159818545 533262847 /nfs/dbraw/zinc/26/28/47/533262847.db2.gz SDQCNSVXNOFDBN-MRXNPFEDSA-N 1 0 344.455 2.237 20 70 EEIDRO C[C@@H](NC(=O)c1cccs1)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000159618863 533304941 /nfs/dbraw/zinc/30/49/41/533304941.db2.gz UZRRVUIUOBHHNJ-CYBMUJFWSA-N 1 0 337.489 2.295 20 70 EEIDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2cccc3c2oc(=O)n3C)C1 ZINC000159484301 225226135 /nfs/dbraw/zinc/22/61/35/225226135.db2.gz IDMOHQWMOJORHW-ZIAGYGMSSA-N 1 0 345.443 2.229 20 70 EEIDRO C[C@@H](c1ccncc1)[NH+]1CCC(N[C@H](C(N)=O)c2ccccc2)CC1 ZINC000159907249 225299540 /nfs/dbraw/zinc/29/95/40/225299540.db2.gz FDWQKFNXKLRMAB-KXBFYZLASA-N 1 0 338.455 2.423 20 70 EEIDRO [NH3+][C@@H]1CCC[C@H](C(=O)N2CCN(Cc3ccc(Cl)cc3)C(=O)C2)C1 ZINC000159675110 225258507 /nfs/dbraw/zinc/25/85/07/225258507.db2.gz RQVWQRUEYUVACT-GOEBONIOSA-N 1 0 349.862 2.028 20 70 EEIDRO O=C(CSc1ccc(F)c(F)c1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160279066 225378496 /nfs/dbraw/zinc/37/84/96/225378496.db2.gz PDRNVUMVUCQGGU-GFCCVEGCSA-N 1 0 344.427 2.020 20 70 EEIDRO Cc1ccc(/C=C/C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)o1 ZINC000160474529 280752060 /nfs/dbraw/zinc/75/20/60/280752060.db2.gz NPUUFCRVFOGWCK-CWDJHMJFSA-N 1 0 332.444 2.485 20 70 EEIDRO CC(C)OCc1ccc(CNC(=O)C[N@H+](C)C[C@H]2CCC[C@@H]2O)cc1 ZINC000159613439 311343473 /nfs/dbraw/zinc/34/34/73/311343473.db2.gz MTAWAILYICRITC-MOPGFXCFSA-N 1 0 348.487 2.321 20 70 EEIDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCCOc1ncccc1Cl ZINC000160104514 311350004 /nfs/dbraw/zinc/35/00/04/311350004.db2.gz DCNSVNRDDFTDKG-CYBMUJFWSA-N 1 0 340.855 2.287 20 70 EEIDRO O=C(CCC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)NC1CCCC1 ZINC000160915767 311360142 /nfs/dbraw/zinc/36/01/42/311360142.db2.gz XXMUIHWMDQLFKE-YJBOKZPZSA-N 1 0 347.503 2.301 20 70 EEIDRO CC[C@H]1CCC[C@H]1NC(=O)[C@@H]1CC(=O)N(C[C@@H]2CCC[N@@H+]2CC)C1 ZINC000159643039 463296827 /nfs/dbraw/zinc/29/68/27/463296827.db2.gz GWKBOLPTQMQUAZ-VVLHAWIVSA-N 1 0 335.492 2.014 20 70 EEIDRO C[C@@H]1C[C@H](C)CN(S(=O)(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000160142673 463320024 /nfs/dbraw/zinc/32/00/24/463320024.db2.gz DBJAJCSALHBFTK-BBWFWOEESA-N 1 0 343.537 2.159 20 70 EEIDRO CN(C1CCCCC1)S(=O)(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160121730 463320125 /nfs/dbraw/zinc/32/01/25/463320125.db2.gz XGGVKSSNMWTMLA-KRWDZBQOSA-N 1 0 343.537 2.446 20 70 EEIDRO C[C@H]1CCC[N@H+](CCNC(=O)c2ccnc(OCC(F)(F)F)c2)C1 ZINC000160590519 463352134 /nfs/dbraw/zinc/35/21/34/463352134.db2.gz JSDQGHTYPKDKLZ-LBPRGKRZSA-N 1 0 345.365 2.484 20 70 EEIDRO C[C@H](C(=O)NCCCOCC1CCOCC1)[C@@H]([NH3+])c1ccccc1 ZINC000160580821 463352405 /nfs/dbraw/zinc/35/24/05/463352405.db2.gz OIHORXCIZJUVKN-MAUKXSAKSA-N 1 0 334.460 2.272 20 70 EEIDRO O=C(Cn1ccc2ccc(Cl)cc21)NCC1CC[NH+](CCO)CC1 ZINC000160585288 463352785 /nfs/dbraw/zinc/35/27/85/463352785.db2.gz MGTTUGTUTSEQPT-UHFFFAOYSA-N 1 0 349.862 2.115 20 70 EEIDRO Cc1ccc(OCCC(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1C ZINC000160666071 463360409 /nfs/dbraw/zinc/36/04/09/463360409.db2.gz PXIBEUXUEOGPPW-QGZVFWFLSA-N 1 0 334.460 2.035 20 70 EEIDRO CC[C@H](O)CCNC(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000160730376 463366231 /nfs/dbraw/zinc/36/62/31/463366231.db2.gz AAISQXCJLFXRRU-DOTOQJQBSA-N 1 0 349.475 2.292 20 70 EEIDRO CC[C@H]([NH2+]C1CCN(CC(=O)NC)CC1)c1ccc(F)cc1F ZINC000160736560 463367024 /nfs/dbraw/zinc/36/70/24/463367024.db2.gz GZKOSHFEQZRIEF-INIZCTEOSA-N 1 0 325.403 2.216 20 70 EEIDRO CCC(=O)N1CC[C@@H](C(=O)NC[C@@H](c2ccco2)[NH+](CC)CC)C1 ZINC000161036771 463393792 /nfs/dbraw/zinc/39/37/92/463393792.db2.gz MQAYXKJDPLVFBE-CABCVRRESA-N 1 0 335.448 2.037 20 70 EEIDRO CC[NH2+]CC1CCN(C(=O)c2ccc(Cn3ccnc3)cc2)CC1 ZINC000161135856 463403211 /nfs/dbraw/zinc/40/32/11/463403211.db2.gz NMEIRQSCBYJHCY-UHFFFAOYSA-N 1 0 326.444 2.393 20 70 EEIDRO C[C@H](CNC(=O)C[C@H]1CCC[NH2+]1)Oc1ccccc1Br ZINC000161144716 463404091 /nfs/dbraw/zinc/40/40/91/463404091.db2.gz ORGJDTDVVCJAGS-VXGBXAGGSA-N 1 0 341.249 2.475 20 70 EEIDRO C[NH+](C)[C@@H](CNC(=O)N[C@@H](CCO)C(C)(C)C)Cc1ccccc1 ZINC000161258891 463413879 /nfs/dbraw/zinc/41/38/79/463413879.db2.gz WLZJVZFJHAUIAE-SJORKVTESA-N 1 0 335.492 2.256 20 70 EEIDRO CN(CC(C)(C)C)C(=O)c1cccc(C(=O)NC[C@H]2CC[N@H+](C)C2)c1 ZINC000161315168 463419817 /nfs/dbraw/zinc/41/98/17/463419817.db2.gz ILERZZMPPXJDOU-OAHLLOKOSA-N 1 0 345.487 2.486 20 70 EEIDRO C[C@H](CC(=O)N(C)Cc1ccc([S@](C)=O)cc1)[C@@H]1CCC[NH2+]C1 ZINC000161468341 463432501 /nfs/dbraw/zinc/43/25/01/463432501.db2.gz XMZBETYXERLVRW-GTAYFMOCSA-N 1 0 336.501 2.408 20 70 EEIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cccc(C(F)(F)F)c1 ZINC000160462028 534538470 /nfs/dbraw/zinc/53/84/70/534538470.db2.gz QBKQRGNKSOSJET-CQSZACIVSA-N 1 0 330.350 2.282 20 70 EEIDRO CC(C)(C)c1ncc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)s1 ZINC000160063006 526878515 /nfs/dbraw/zinc/87/85/15/526878515.db2.gz AXSQLPWMVNHOIG-GFCCVEGCSA-N 1 0 325.478 2.017 20 70 EEIDRO CC[NH+](CC)Cc1ccccc1CNC(=O)C(=O)Nc1nocc1C ZINC000160098565 528196760 /nfs/dbraw/zinc/19/67/60/528196760.db2.gz OHAADIIDEWJVRV-UHFFFAOYSA-N 1 0 344.415 2.080 20 70 EEIDRO CC[NH+]1CCC(NC(=O)Nc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000160296133 528982942 /nfs/dbraw/zinc/98/29/42/528982942.db2.gz PVBFMPXNHAPXEF-KRWDZBQOSA-N 1 0 333.432 2.460 20 70 EEIDRO CCc1ccc([C@@H](C)CC(=O)NC[C@H](C)N2CC[NH+](C)CC2)cc1 ZINC000160158182 529704171 /nfs/dbraw/zinc/70/41/71/529704171.db2.gz UKJOPOUCHLKCSW-IRXDYDNUSA-N 1 0 331.504 2.495 20 70 EEIDRO COc1cccc(COCCNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000160592773 539523118 /nfs/dbraw/zinc/52/31/18/539523118.db2.gz BRRBDJWJJHTUEY-NVXWUHKLSA-N 1 0 349.475 2.336 20 70 EEIDRO O=C(CCc1ccc(F)cc1F)N1CC[NH+](C2CCOCC2)CC1 ZINC000160253156 225371754 /nfs/dbraw/zinc/37/17/54/225371754.db2.gz MWJBJFHVLAFILO-UHFFFAOYSA-N 1 0 338.398 2.221 20 70 EEIDRO CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@H](C)C(=O)NC1CC1 ZINC000160041752 276121510 /nfs/dbraw/zinc/12/15/10/276121510.db2.gz LCGGZUBKQJRPEC-OAHLLOKOSA-N 1 0 330.476 2.287 20 70 EEIDRO CC(C)c1ccc(N2CC[C@H](C(=O)N3CCC[C@@H]3C[NH3+])C2=O)cc1 ZINC000160396402 278039252 /nfs/dbraw/zinc/03/92/52/278039252.db2.gz PTHDJHTXGOLJKP-IAGOWNOFSA-N 1 0 329.444 2.113 20 70 EEIDRO COc1ccc(Br)cc1/C=C/C(=O)NCC(C)(C)[NH3+] ZINC000159977877 311348786 /nfs/dbraw/zinc/34/87/86/311348786.db2.gz JOUBYHHPTCUYPW-QPJJXVBHSA-N 1 0 327.222 2.324 20 70 EEIDRO FC(F)CN1CCC([NH2+]CCCc2nnc3n2CCCCC3)CC1 ZINC000161155020 311362746 /nfs/dbraw/zinc/36/27/46/311362746.db2.gz ODKKUWOVZLRLFP-UHFFFAOYSA-N 1 0 341.450 2.256 20 70 EEIDRO CCn1nnnc1-c1cccc(NC(=O)[C@@H]2[NH2+]CCc3ccccc32)c1 ZINC000159588194 463294405 /nfs/dbraw/zinc/29/44/05/463294405.db2.gz AGVCSIDFGOSZRL-QGZVFWFLSA-N 1 0 348.410 2.186 20 70 EEIDRO CCC[C@@](C)(CO)NC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000160023758 463315668 /nfs/dbraw/zinc/31/56/68/463315668.db2.gz XXTNEVRRIJYWCO-IEZWGBDMSA-N 1 0 333.476 2.357 20 70 EEIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(N2CCCC2)c(F)c1 ZINC000160044228 463316284 /nfs/dbraw/zinc/31/62/84/463316284.db2.gz QBEIHHCGHBBSMH-MRXNPFEDSA-N 1 0 349.450 2.003 20 70 EEIDRO CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc(C(C)(C)C(N)=O)cc2)C1 ZINC000160058562 463316966 /nfs/dbraw/zinc/31/69/66/463316966.db2.gz ASAOHQDGJDXOAF-HNNXBMFYSA-N 1 0 332.448 2.055 20 70 EEIDRO O=S(=O)(c1ccc(F)cc1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160109357 463318292 /nfs/dbraw/zinc/31/82/92/463318292.db2.gz GNYWFWJNZXSERS-HNNXBMFYSA-N 1 0 326.437 2.465 20 70 EEIDRO COC(C)(C)C[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000160263144 463325462 /nfs/dbraw/zinc/32/54/62/463325462.db2.gz FJXGEEVRSHIXMV-GFCCVEGCSA-N 1 0 332.238 2.203 20 70 EEIDRO Cn1cc(/C=C/C(=O)NC[C@H](O)C[NH+]2CCCCC2)c2ccccc21 ZINC000160433155 463338472 /nfs/dbraw/zinc/33/84/72/463338472.db2.gz ATFSZQIUQIZAFV-FVNWOWOISA-N 1 0 341.455 2.155 20 70 EEIDRO Cc1cccc(OCCCC(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000160501264 463344087 /nfs/dbraw/zinc/34/40/87/463344087.db2.gz NUERYMXVEGAQNE-QGZVFWFLSA-N 1 0 334.460 2.117 20 70 EEIDRO Cc1nc2cc(F)ccc2cc1C(=O)NCC1CC[NH+](CCO)CC1 ZINC000160617984 463356239 /nfs/dbraw/zinc/35/62/39/463356239.db2.gz PGXDRONLCORUNQ-UHFFFAOYSA-N 1 0 345.418 2.116 20 70 EEIDRO COCc1ccc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000160725057 463366163 /nfs/dbraw/zinc/36/61/63/463366163.db2.gz KZZZTDQZZPSCNT-RBUKOAKNSA-N 1 0 346.471 2.331 20 70 EEIDRO CC(C)CC(=O)N[C@H](C(=O)N[C@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000160815545 463373781 /nfs/dbraw/zinc/37/37/81/463373781.db2.gz QHRBALYRKQXUPS-BQFCYCMXSA-N 1 0 331.460 2.276 20 70 EEIDRO C[C@@H](O)C[C@H](C)CNC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000161261412 463413506 /nfs/dbraw/zinc/41/35/06/463413506.db2.gz PLKKVCIAAQUAHC-XHSDSOJGSA-N 1 0 348.491 2.313 20 70 EEIDRO CC(C)c1n[nH]c(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c1Br ZINC000161298529 463416912 /nfs/dbraw/zinc/41/69/12/463416912.db2.gz YALIAGUJBWPFQJ-DTWKUNHWSA-N 1 0 329.242 2.295 20 70 EEIDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)CNC(=O)CC2CCCC2)o1 ZINC000161503704 463434440 /nfs/dbraw/zinc/43/44/40/463434440.db2.gz KBEYRWUDRMHTKA-UHFFFAOYSA-N 1 0 349.475 2.175 20 70 EEIDRO CC[NH+]1CCN(CCCNC(=O)[C@@H]2C[C@H]2c2sccc2C)CC1 ZINC000161498998 463434689 /nfs/dbraw/zinc/43/46/89/463434689.db2.gz JWIBICNTVLSSHK-HZPDHXFCSA-N 1 0 335.517 2.304 20 70 EEIDRO C[C@@H](SCc1ccccc1)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160122450 534000193 /nfs/dbraw/zinc/00/01/93/534000193.db2.gz CHIDBUHPCFFVHO-NVXWUHKLSA-N 1 0 336.501 2.271 20 70 EEIDRO CC(C)C(=O)N(C)Cc1ccc(C(=O)N2CC[NH+](C(C)C)CC2)cc1 ZINC000160056872 527457983 /nfs/dbraw/zinc/45/79/83/527457983.db2.gz DVTWEKAGCKMBTG-UHFFFAOYSA-N 1 0 345.487 2.467 20 70 EEIDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccc2[nH]c(=O)n(C)c2c1 ZINC000160082970 528118194 /nfs/dbraw/zinc/11/81/94/528118194.db2.gz WNZDHFZQBUICIY-ZDUSSCGKSA-N 1 0 332.448 2.107 20 70 EEIDRO CC(C)COc1cn(-c2ccccc2)nc1C(=O)N1CCC[C@H]1C[NH3+] ZINC000160325561 528189032 /nfs/dbraw/zinc/18/90/32/528189032.db2.gz QYHXUYKZGGDXBR-INIZCTEOSA-N 1 0 342.443 2.470 20 70 EEIDRO CC[NH+](CC)[C@H](CNC(=O)N(C)C[C@@H]1CCC[C@@H]1O)c1ccco1 ZINC000160217331 528270675 /nfs/dbraw/zinc/27/06/75/528270675.db2.gz GNADEOXFEFUBTO-XHSDSOJGSA-N 1 0 337.464 2.465 20 70 EEIDRO CCc1ccc([C@H](CNC(=O)N2CCC[C@](C)(O)C2)[NH+](C)C)cc1 ZINC000159866148 529723414 /nfs/dbraw/zinc/72/34/14/529723414.db2.gz ZRGMWKFTEJCZAX-HKUYNNGSSA-N 1 0 333.476 2.408 20 70 EEIDRO CN(CC(=O)Nc1ccccc1Br)[C@H](C[NH3+])C1CC1 ZINC000160121744 529839111 /nfs/dbraw/zinc/83/91/11/529839111.db2.gz RKQPQHKBCQJTLD-CYBMUJFWSA-N 1 0 326.238 2.057 20 70 EEIDRO COc1cccc(COCCNC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000160593099 539522992 /nfs/dbraw/zinc/52/29/92/539522992.db2.gz BRRBDJWJJHTUEY-RDJZCZTQSA-N 1 0 349.475 2.336 20 70 EEIDRO Cc1ccc(Cl)c(OC[C@@H](O)CN2CC[C@H](C[NH+](C)C)C2)c1 ZINC000159526384 225233493 /nfs/dbraw/zinc/23/34/93/225233493.db2.gz IRZDLIITVVYVEU-CABCVRRESA-N 1 0 326.868 2.272 20 70 EEIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cnc(-c2ccccc2)s1 ZINC000160354903 225393939 /nfs/dbraw/zinc/39/39/39/225393939.db2.gz WBEFJEDCVDWBBK-OAHLLOKOSA-N 1 0 345.468 2.387 20 70 EEIDRO Cc1ccccc1-n1ncc(C(=O)NCCC[NH3+])c1C(F)(F)F ZINC000160169542 225352765 /nfs/dbraw/zinc/35/27/65/225352765.db2.gz PBOCOZJCBRIEDB-UHFFFAOYSA-N 1 0 326.322 2.278 20 70 EEIDRO CCC([NH3+])(CC)CNC(=O)C[C@H](NC(C)=O)c1c(F)cccc1F ZINC000160438499 273985691 /nfs/dbraw/zinc/98/56/91/273985691.db2.gz LMASBNLAIPRCFZ-AWEZNQCLSA-N 1 0 341.402 2.166 20 70 EEIDRO CN(Cc1ccc(Cl)s1)C(=O)CSCCN1CCOCC1 ZINC000159759163 311345788 /nfs/dbraw/zinc/34/57/88/311345788.db2.gz IGVSDEQWGHGFOP-UHFFFAOYSA-N 1 0 348.921 2.425 20 70 EEIDRO C[C@@H]1CCC[C@@](CNC(=O)c2ccc3[nH]c(=O)n(C)c3c2)([NH+](C)C)C1 ZINC000160415287 311354006 /nfs/dbraw/zinc/35/40/06/311354006.db2.gz CFOFDRQFNCNECI-BFUOFWGJSA-N 1 0 344.459 2.107 20 70 EEIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CCNC(=O)/C=C/c1ccco1 ZINC000160587679 311356249 /nfs/dbraw/zinc/35/62/49/311356249.db2.gz DATKSJYMUIFIEI-KXPUMZMLSA-N 1 0 347.459 2.036 20 70 EEIDRO COC(=O)CCc1nnc(NC(=O)CC[C@H]([NH3+])c2ccccc2)s1 ZINC000159459210 463286978 /nfs/dbraw/zinc/28/69/78/463286978.db2.gz RIIFBAZEPDKKLN-LBPRGKRZSA-N 1 0 348.428 2.062 20 70 EEIDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C1(O)CCSCC1 ZINC000159786024 463305783 /nfs/dbraw/zinc/30/57/83/463305783.db2.gz LBGLNZYJKHSUGF-UHFFFAOYSA-N 1 0 336.501 2.401 20 70 EEIDRO Cn1cc(N2CCC[C@@H](N3CCC(OC4CCCC4)CC3)C2=O)cn1 ZINC000159979920 463312364 /nfs/dbraw/zinc/31/23/64/463312364.db2.gz WAKQQUSEXHBUCA-GOSISDBHSA-N 1 0 346.475 2.339 20 70 EEIDRO Cc1cc(S(=O)(=O)N(C)[C@@H](C[NH3+])C2CC2)ccc1Br ZINC000159963537 463313089 /nfs/dbraw/zinc/31/30/89/463313089.db2.gz QYKWHBWNFVHVNN-ZDUSSCGKSA-N 1 0 347.278 2.115 20 70 EEIDRO CO[C@]1(C[NH2+]CCOc2cccc(Br)c2)CCOC1 ZINC000160319835 463328512 /nfs/dbraw/zinc/32/85/12/463328512.db2.gz BBKHZIUBZIOZJI-AWEZNQCLSA-N 1 0 330.222 2.223 20 70 EEIDRO C[C@@H](C(=O)NCCCOCC1CCOCC1)[C@H]([NH3+])c1ccccc1 ZINC000160580705 463352633 /nfs/dbraw/zinc/35/26/33/463352633.db2.gz OIHORXCIZJUVKN-QAPCUYQASA-N 1 0 334.460 2.272 20 70 EEIDRO O=C(NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1cc2ccccn2c1 ZINC000160650900 463359115 /nfs/dbraw/zinc/35/91/15/463359115.db2.gz MKRZHTIHBPMAEL-WOJBJXKFSA-N 1 0 349.434 2.305 20 70 EEIDRO Cc1ccc(NC(=O)NC(=O)[C@@H](C)[N@H+](C)C[C@H](O)C2CC2)c(C)c1 ZINC000160825249 463374177 /nfs/dbraw/zinc/37/41/77/463374177.db2.gz ULNDHWIBZXGNDA-CJNGLKHVSA-N 1 0 333.432 2.043 20 70 EEIDRO CCc1c(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)nnn1-c1cccc(Cl)c1 ZINC000160827294 463375063 /nfs/dbraw/zinc/37/50/63/463375063.db2.gz FGCPWLRCBVSWDS-OLZOCXBDSA-N 1 0 347.850 2.483 20 70 EEIDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3ccn(CC(F)(F)F)n3)CC[C@@H]21 ZINC000160850975 463376171 /nfs/dbraw/zinc/37/61/71/463376171.db2.gz NIXIQXFSDQYJDL-NEPJUHHUSA-N 1 0 345.369 2.393 20 70 EEIDRO CCCC(=O)NCC(=O)N(C)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000160918107 463381462 /nfs/dbraw/zinc/38/14/62/463381462.db2.gz RWQMDHCLOKCATH-UHFFFAOYSA-N 1 0 347.459 2.040 20 70 EEIDRO O=C(C[C@@H]1CCC[NH2+]1)N[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000160935054 463384292 /nfs/dbraw/zinc/38/42/92/463384292.db2.gz VXCAKPYUMQPHFS-JSGCOSHPSA-N 1 0 335.835 2.094 20 70 EEIDRO CC(C)[NH2+]CCC(=O)Nc1ccc(OCC(=O)N(C)C)c(Cl)c1 ZINC000160959666 463386490 /nfs/dbraw/zinc/38/64/90/463386490.db2.gz CPMANCOYFIXQFE-UHFFFAOYSA-N 1 0 341.839 2.134 20 70 EEIDRO COC(=O)c1csc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000161101993 463399851 /nfs/dbraw/zinc/39/98/51/463399851.db2.gz FEGFPPGBQJWVQF-YPMHNXCESA-N 1 0 337.445 2.483 20 70 EEIDRO CCCCc1nc(CS(=O)(=O)Cc2nccn2C(C)C)no1 ZINC000161221529 463411530 /nfs/dbraw/zinc/41/15/30/463411530.db2.gz BSGGPDZWPGLHFO-UHFFFAOYSA-N 1 0 326.422 2.305 20 70 EEIDRO COCc1cc([C@@H](C)[NH2+]CC(=O)NCC(F)(F)F)ccc1OC ZINC000160592917 255799338 /nfs/dbraw/zinc/79/93/38/255799338.db2.gz GWJKRTIIJBXXEV-SNVBAGLBSA-N 1 0 334.338 2.171 20 70 EEIDRO [NH3+][C@@H]1CCN(C(=O)COc2ccc(OCc3ccccc3)cc2)C1 ZINC000160201203 225360128 /nfs/dbraw/zinc/36/01/28/225360128.db2.gz CLNKPAKIEIGGAV-MRXNPFEDSA-N 1 0 326.396 2.204 20 70 EEIDRO C[C@@H](CNC(=O)c1cnc2c(c1)ncn2C)[N@H+](C)Cc1ccccc1 ZINC000160460513 274224257 /nfs/dbraw/zinc/22/42/57/274224257.db2.gz JZYZRQBGBHHQMO-AWEZNQCLSA-N 1 0 337.427 2.219 20 70 EEIDRO Cc1cccc(-n2cc(C(=O)NC[C@H](C)C[NH+]3CCCCC3)nn2)c1 ZINC000160692985 311357672 /nfs/dbraw/zinc/35/76/72/311357672.db2.gz CHGVFYGOFLRHPO-INIZCTEOSA-N 1 0 341.459 2.428 20 70 EEIDRO CCCOc1ccc(CNC(=O)N2CC[N@H+](C)C[C@H]2C(C)C)cn1 ZINC000159404929 463284288 /nfs/dbraw/zinc/28/42/88/463284288.db2.gz HYVFGKPXCLJALB-INIZCTEOSA-N 1 0 334.464 2.352 20 70 EEIDRO C[C@@H](CNC(=O)Nc1ccnn1C[C@H]1CCOC1)C[NH+]1CCCCC1 ZINC000159390867 463284598 /nfs/dbraw/zinc/28/45/98/463284598.db2.gz BNGNOHUQFVDZEH-JKSUJKDBSA-N 1 0 349.479 2.163 20 70 EEIDRO Cc1c(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)nnn1-c1cccc(Cl)c1 ZINC000159471826 463288489 /nfs/dbraw/zinc/28/84/89/463288489.db2.gz VADXVGFXYFJFQT-OKILXGFUSA-N 1 0 345.834 2.196 20 70 EEIDRO Cc1c[nH]c(=O)n1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000159859744 463307688 /nfs/dbraw/zinc/30/76/88/463307688.db2.gz CVBIRIXQTHMIFH-UONOGXRCSA-N 1 0 344.459 2.428 20 70 EEIDRO CC[C@@H](CCO)CNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000159921244 463309998 /nfs/dbraw/zinc/30/99/98/463309998.db2.gz LAZDFBPQXJGODL-XYJFISCASA-N 1 0 333.476 2.215 20 70 EEIDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NC1(CO)CCCC1 ZINC000159964743 463312861 /nfs/dbraw/zinc/31/28/61/463312861.db2.gz KSDDZDKJMIXGRW-RDJZCZTQSA-N 1 0 331.460 2.111 20 70 EEIDRO C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000160142921 463319879 /nfs/dbraw/zinc/31/98/79/463319879.db2.gz DBJAJCSALHBFTK-ZACQAIPSSA-N 1 0 343.537 2.159 20 70 EEIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccc(Cl)o1 ZINC000160432200 463338954 /nfs/dbraw/zinc/33/89/54/463338954.db2.gz RIKSURAUZSAKON-CHWSQXEVSA-N 1 0 326.824 2.431 20 70 EEIDRO Cc1[nH]c2ccc(C(=O)NCC3CC[NH+](CCO)CC3)cc2c1C ZINC000160676717 463360949 /nfs/dbraw/zinc/36/09/49/463360949.db2.gz CHWZIQRKQLVYTN-UHFFFAOYSA-N 1 0 329.444 2.219 20 70 EEIDRO CC(C)c1cccc(O[C@@H](C)C(=O)NCC2CC[NH+](CCO)CC2)c1 ZINC000160723859 463365789 /nfs/dbraw/zinc/36/57/89/463365789.db2.gz BWLGVMFFJVMVPQ-INIZCTEOSA-N 1 0 348.487 2.398 20 70 EEIDRO CCCOc1cn(-c2ccccc2)nc1C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000160761718 463368366 /nfs/dbraw/zinc/36/83/66/463368366.db2.gz HFWGDXSENUHLCB-AWEZNQCLSA-N 1 0 328.416 2.095 20 70 EEIDRO O=C(Nc1ccn(CC(F)(F)F)n1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000160796544 463372129 /nfs/dbraw/zinc/37/21/29/463372129.db2.gz KLOZOWKWVRQMJM-NSHDSACASA-N 1 0 331.342 2.147 20 70 EEIDRO CC(C)NC(=O)C[NH2+][C@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000160976248 463386835 /nfs/dbraw/zinc/38/68/35/463386835.db2.gz KEZBVKHAJVSPGZ-CYBMUJFWSA-N 1 0 339.867 2.191 20 70 EEIDRO C[C@@H](NCc1cccc(C(=O)NCC[NH+](C)C)c1)c1cncs1 ZINC000161232455 463412794 /nfs/dbraw/zinc/41/27/94/463412794.db2.gz GRBKZIOGYNXBQT-CYBMUJFWSA-N 1 0 332.473 2.285 20 70 EEIDRO CC[C@@H](C)[C@@H](O)CNC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000161250453 463414135 /nfs/dbraw/zinc/41/41/35/463414135.db2.gz RYKILAJHCAYVOY-VKJFTORMSA-N 1 0 348.491 2.313 20 70 EEIDRO Cc1c(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)nnn1-c1cccc(Cl)c1 ZINC000161293065 463417274 /nfs/dbraw/zinc/41/72/74/463417274.db2.gz RCXGWAAUVKCYOQ-OLZOCXBDSA-N 1 0 333.823 2.229 20 70 EEIDRO CC[C@H]1Oc2cc([C@H](C)NC(=O)[C@@H]3CCC[C@@H]3[NH3+])ccc2NC1=O ZINC000161365034 463425693 /nfs/dbraw/zinc/42/56/93/463425693.db2.gz OHXOUSNHJKLFPA-QMPIGLIWSA-N 1 0 331.416 2.101 20 70 EEIDRO COc1cc(C(=O)N2CC[NH+](C3CCCC3)CC2)cc(OC)c1O ZINC000161385306 463427712 /nfs/dbraw/zinc/42/77/12/463427712.db2.gz MYZPVWZJMUPTHD-UHFFFAOYSA-N 1 0 334.416 2.110 20 70 EEIDRO COC(=O)c1cc(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)oc1C ZINC000161403551 463428757 /nfs/dbraw/zinc/42/87/57/463428757.db2.gz PAUKUYUULWZVSV-ZDUSSCGKSA-N 1 0 344.415 2.292 20 70 EEIDRO CCCC[NH+]1CCC(NC(=O)N2CCCN(CC(F)F)CC2)CC1 ZINC000161427538 463429962 /nfs/dbraw/zinc/42/99/62/463429962.db2.gz MNCXOFLEMGYZHD-UHFFFAOYSA-N 1 0 346.466 2.233 20 70 EEIDRO Cc1ccc([C@H](CNC(=O)N2CCC[C@@](C)(O)C2)[NH+]2CCCC2)o1 ZINC000161498699 463434287 /nfs/dbraw/zinc/43/42/87/463434287.db2.gz VJSUQCDRUNFYHL-MAUKXSAKSA-N 1 0 335.448 2.281 20 70 EEIDRO CC(=O)N1CC[C@@H](C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)C1 ZINC000161509556 526640912 /nfs/dbraw/zinc/64/09/12/526640912.db2.gz VBNVCFWJSZYRHS-WWDZGPRUSA-N 1 0 335.492 2.014 20 70 EEIDRO CCCCOc1ncccc1CNC(=O)N1CCC[N@H+](CC)CC1 ZINC000159759171 528707230 /nfs/dbraw/zinc/70/72/30/528707230.db2.gz JCNNNLMKRREWBC-UHFFFAOYSA-N 1 0 334.464 2.498 20 70 EEIDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc2c([nH]c1=O)CCCCC2 ZINC000159766489 529012690 /nfs/dbraw/zinc/01/26/90/529012690.db2.gz PQYDMTPPLHFHBX-HNNXBMFYSA-N 1 0 331.460 2.248 20 70 EEIDRO CC[N@@H+]1CCCN(C(=O)NC[C@H](C)Oc2ccccc2OC)CC1 ZINC000159923568 529027425 /nfs/dbraw/zinc/02/74/25/529027425.db2.gz IAISDQNJBMGTIA-HNNXBMFYSA-N 1 0 335.448 2.200 20 70 EEIDRO CC[C@@](C)(CCO)NC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000160001120 529495467 /nfs/dbraw/zinc/49/54/67/529495467.db2.gz VUPBGBUQWAGMSH-WDYCEAGBSA-N 1 0 333.476 2.357 20 70 EEIDRO C[C@H](NC(=O)Nc1ccc(F)cc1OC(F)F)[C@@H]1CN(C)CCO1 ZINC000160127652 539520644 /nfs/dbraw/zinc/52/06/44/539520644.db2.gz VBCGBWSHAHBCPT-ZANVPECISA-N 1 0 347.337 2.268 20 70 EEIDRO O=C(CN1CCN(c2cc[nH+]cc2)CC1)N1CCC[C@H]2CCCC[C@H]21 ZINC000161366124 539527793 /nfs/dbraw/zinc/52/77/93/539527793.db2.gz PEKISARCZLWWOZ-IEBWSBKVSA-N 1 0 342.487 2.385 20 70 EEIDRO CS(=O)(=O)CC[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000160315387 533360205 /nfs/dbraw/zinc/36/02/05/533360205.db2.gz JTGHGIKJOHEZBE-UHFFFAOYSA-N 1 0 343.246 2.132 20 70 EEIDRO CSCC[C@@H]([NH3+])C(=O)N1CCc2ccc(Br)cc21 ZINC000159996601 533602742 /nfs/dbraw/zinc/60/27/42/533602742.db2.gz HAWNSAMZFWMLCW-LLVKDONJSA-N 1 0 329.263 2.419 20 70 EEIDRO CSCC[C@@H]([NH3+])C(=O)NCc1ccc(Br)cc1C ZINC000159546009 533604316 /nfs/dbraw/zinc/60/43/16/533604316.db2.gz MVEALBXRIWTAHZ-GFCCVEGCSA-N 1 0 331.279 2.454 20 70 EEIDRO COCCOc1ccccc1C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159867672 225293552 /nfs/dbraw/zinc/29/35/52/225293552.db2.gz CEJRJQDILPUANS-UHFFFAOYSA-N 1 0 332.444 2.316 20 70 EEIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1sccc1-n1cccc1 ZINC000159994283 225316655 /nfs/dbraw/zinc/31/66/55/225316655.db2.gz AYJXZTRBGXZVLC-CQSZACIVSA-N 1 0 333.457 2.115 20 70 EEIDRO CN(C)C(=O)Nc1ccc(Cl)c(C(=O)NC[C@@H]2CC[N@H+](C)C2)c1 ZINC000160110146 225340170 /nfs/dbraw/zinc/34/01/70/225340170.db2.gz KFXVQGBCDTXJAI-NSHDSACASA-N 1 0 338.839 2.115 20 70 EEIDRO COC(=O)c1cccc(CC(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000159447836 311341324 /nfs/dbraw/zinc/34/13/24/311341324.db2.gz LJIXFUOTHCGIOF-HRCADAONSA-N 1 0 346.471 2.498 20 70 EEIDRO CC(C)OCc1ccccc1CNC(=O)C[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000159541586 311342517 /nfs/dbraw/zinc/34/25/17/311342517.db2.gz DIWXGNNMTIUXIG-MJGOQNOKSA-N 1 0 348.487 2.321 20 70 EEIDRO CN1CC[NH+](CCCCNC(=O)c2cc(F)cc3cccnc32)CC1 ZINC000160302621 311352840 /nfs/dbraw/zinc/35/28/40/311352840.db2.gz XFNKRPKGZJAKDT-UHFFFAOYSA-N 1 0 344.434 2.131 20 70 EEIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CNC(=O)CCC1CCCC1 ZINC000160441649 311354384 /nfs/dbraw/zinc/35/43/84/311354384.db2.gz ATPMQIYKJDCKFI-QGZVFWFLSA-N 1 0 337.508 2.310 20 70 EEIDRO Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2cc(F)cc(F)c2)cc1 ZINC000161142830 311362769 /nfs/dbraw/zinc/36/27/69/311362769.db2.gz NXUKJCYGIXQUOG-UHFFFAOYSA-N 1 0 340.395 2.341 20 70 EEIDRO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]21)N1CCN(Cc2ccco2)CC1 ZINC000159712483 463301554 /nfs/dbraw/zinc/30/15/54/463301554.db2.gz UVYGQCAIFLPMDF-WMZOPIPTSA-N 1 0 331.460 2.188 20 70 EEIDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000160367320 463332069 /nfs/dbraw/zinc/33/20/69/463332069.db2.gz KLTFLLWUHJNCET-AEFFLSMTSA-N 1 0 346.475 2.112 20 70 EEIDRO CCN(c1ccc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1)C(C)C ZINC000160393167 463334462 /nfs/dbraw/zinc/33/44/62/463334462.db2.gz DQBKAIQHWTWYNU-LJQANCHMSA-N 1 0 347.503 2.498 20 70 EEIDRO CC(C)c1ccc(N2CC[C@@H](C(=O)N3CCC[C@H]3C[NH3+])C2=O)cc1 ZINC000160396812 463335266 /nfs/dbraw/zinc/33/52/66/463335266.db2.gz PTHDJHTXGOLJKP-IRXDYDNUSA-N 1 0 329.444 2.113 20 70 EEIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(F)c(F)c1 ZINC000160526366 463347207 /nfs/dbraw/zinc/34/72/07/463347207.db2.gz LMDHWTDGZTYAOG-SJORKVTESA-N 1 0 338.398 2.463 20 70 EEIDRO C[NH+](C)Cc1ccc(C(=O)Nc2cnn(C[C@H]3CCCO3)c2)cc1 ZINC000160544033 463349047 /nfs/dbraw/zinc/34/90/47/463349047.db2.gz QSUASAKHXHQIGN-QGZVFWFLSA-N 1 0 328.416 2.376 20 70 EEIDRO Cc1ccc(OCCCC(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1C ZINC000160588180 463352312 /nfs/dbraw/zinc/35/23/12/463352312.db2.gz APAJIYAIDBVYFY-GOSISDBHSA-N 1 0 348.487 2.425 20 70 EEIDRO Cn1cc(Cl)cc1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160608555 463355378 /nfs/dbraw/zinc/35/53/78/463355378.db2.gz ZCRWIOGKPRLGIL-GDBMZVCRSA-N 1 0 339.867 2.176 20 70 EEIDRO O=C(NCC1CC[NH+](CCO)CC1)c1cc(Cl)cc(Cl)c1 ZINC000160697326 463363991 /nfs/dbraw/zinc/36/39/91/463363991.db2.gz YJBUQKOQDOZYAK-UHFFFAOYSA-N 1 0 331.243 2.428 20 70 EEIDRO C[C@@H](CNC(=O)Nc1ccn(CC(F)(F)F)n1)C[NH+]1CCCC1 ZINC000160869723 463378096 /nfs/dbraw/zinc/37/80/96/463378096.db2.gz AKYPUJPVDVMMDZ-NSHDSACASA-N 1 0 333.358 2.299 20 70 EEIDRO COc1cc(CCC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc(OC)c1OC ZINC000160973763 463386943 /nfs/dbraw/zinc/38/69/43/463386943.db2.gz OSOZVNZQADTMGJ-ZIAGYGMSSA-N 1 0 336.432 2.031 20 70 EEIDRO COc1cc(Br)ccc1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161048069 463395693 /nfs/dbraw/zinc/39/56/93/463395693.db2.gz AVDRYOXXGKRCFM-QWRGUYRKSA-N 1 0 327.222 2.457 20 70 EEIDRO COc1ccc(NC(=O)c2ccccc2OCC[NH+](C)C)cc1N ZINC000161120268 463400878 /nfs/dbraw/zinc/40/08/78/463400878.db2.gz DBQMXHZGPMFQKF-UHFFFAOYSA-N 1 0 329.400 2.470 20 70 EEIDRO CCN(CC)C(=O)C[C@H](C)[NH2+]CCCc1nnc2n1CCCCC2 ZINC000161178792 463407941 /nfs/dbraw/zinc/40/79/41/463407941.db2.gz TXDVMCHKLSRTMY-HNNXBMFYSA-N 1 0 335.496 2.174 20 70 EEIDRO O=C1CN(CCC[NH+]2CCCCC2)CCN1Cc1cccc(F)c1 ZINC000161239654 463413192 /nfs/dbraw/zinc/41/31/92/463413192.db2.gz YFTKKVWCMLAGJW-UHFFFAOYSA-N 1 0 333.451 2.346 20 70 EEIDRO COc1ccc(CCC(=O)N[C@H]2CCC[C@H]([NH3+])C2)c(OC)c1OC ZINC000161292392 463416718 /nfs/dbraw/zinc/41/67/18/463416718.db2.gz CNTQETCQJFLRPB-KBPBESRZSA-N 1 0 336.432 2.031 20 70 EEIDRO C[C@]1(C(=O)NCCc2cc(Cl)c3c(c2)OCCO3)CCC[NH2+]C1 ZINC000161319377 463419264 /nfs/dbraw/zinc/41/92/64/463419264.db2.gz XHNYENQQTUELTQ-KRWDZBQOSA-N 1 0 338.835 2.160 20 70 EEIDRO CCc1nsc(N2CCCN(CCC[NH+]3CCCCC3)CC2)n1 ZINC000161387622 463427433 /nfs/dbraw/zinc/42/74/33/463427433.db2.gz PZULLQNGIBWALF-UHFFFAOYSA-N 1 0 337.537 2.489 20 70 EEIDRO CC(=O)N1CC[C@H](C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)C1 ZINC000161509663 463435466 /nfs/dbraw/zinc/43/54/66/463435466.db2.gz VBNVCFWJSZYRHS-AOCRQIFASA-N 1 0 335.492 2.014 20 70 EEIDRO COc1cc(F)c(C(=O)N2CCC([NH2+]CC3CC3)CC2)cc1OC ZINC000159749904 533967808 /nfs/dbraw/zinc/96/78/08/533967808.db2.gz ZOGCVBCPDHNUPG-UHFFFAOYSA-N 1 0 336.407 2.447 20 70 EEIDRO CCC(=O)N[C@@H](C(=O)N1CCC([NH2+]CC2CC2)CC1)c1ccccc1 ZINC000159862379 528395417 /nfs/dbraw/zinc/39/54/17/528395417.db2.gz YCBUUXGKKXDEJR-LJQANCHMSA-N 1 0 343.471 2.245 20 70 EEIDRO CC[N@@H+]1CCCN(C(=O)NC[C@H](C)Oc2cccc(OC)c2)CC1 ZINC000159918213 529026833 /nfs/dbraw/zinc/02/68/33/529026833.db2.gz PJYGWEKUJNYBGP-HNNXBMFYSA-N 1 0 335.448 2.200 20 70 EEIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C2CCC(NC(=O)C3CCCC3)CC2)C1 ZINC000161049237 539524657 /nfs/dbraw/zinc/52/46/57/539524657.db2.gz DKTFLSWUNGPCCF-MNAZLIDISA-N 1 0 335.492 2.238 20 70 EEIDRO C[C@@H]([NH2+][C@H](C)C1CC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000160113122 533530947 /nfs/dbraw/zinc/53/09/47/533530947.db2.gz XILZOVIFFHBOAM-ZIAGYGMSSA-N 1 0 338.473 2.157 20 70 EEIDRO CSc1cccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)c1 ZINC000159477153 225225154 /nfs/dbraw/zinc/22/51/54/225225154.db2.gz SCASCEYDAXSTHF-AWEZNQCLSA-N 1 0 349.500 2.441 20 70 EEIDRO O=C(NCC[NH2+]C1CCCCCC1)c1ccc(N2CCCC2)nn1 ZINC000159706366 225262368 /nfs/dbraw/zinc/26/23/68/225262368.db2.gz KTPIIWKTTNTOAO-UHFFFAOYSA-N 1 0 331.464 2.119 20 70 EEIDRO C[C@@]1(O)CCCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000159776776 279172601 /nfs/dbraw/zinc/17/26/01/279172601.db2.gz IZXNMWHGSGFHOF-MAUKXSAKSA-N 1 0 335.448 2.363 20 70 EEIDRO CC(C)[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC000159554730 311342877 /nfs/dbraw/zinc/34/28/77/311342877.db2.gz RHFLDBLPHPRAAN-CABCVRRESA-N 1 0 339.480 2.232 20 70 EEIDRO CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1C(=O)NCC[NH+]1CCCCC1 ZINC000159889670 311347290 /nfs/dbraw/zinc/34/72/90/311347290.db2.gz HMZJUSSTHRPGLF-CABCVRRESA-N 1 0 339.480 2.282 20 70 EEIDRO CCC[N@H+](Cc1cccc(-n2cccn2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000161075259 311361937 /nfs/dbraw/zinc/36/19/37/311361937.db2.gz VXNUYVJHMMYGBF-QGZVFWFLSA-N 1 0 333.457 2.271 20 70 EEIDRO Cc1c(C(=O)NC[C@@H](C)C[NH+]2CCCC2)cnn1C1CCOCC1 ZINC000159421581 463286229 /nfs/dbraw/zinc/28/62/29/463286229.db2.gz HSBORXRFCOOSLA-CQSZACIVSA-N 1 0 334.464 2.005 20 70 EEIDRO Cc1sc2ncnc(SCC(=O)N3CCC[C@H]3C[NH3+])c2c1C ZINC000160336597 463329700 /nfs/dbraw/zinc/32/97/00/463329700.db2.gz BEAPWKDZWUVSKF-NSHDSACASA-N 1 0 336.486 2.350 20 70 EEIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cccc(N3CCOC3=O)c1)CC2 ZINC000160431859 463339016 /nfs/dbraw/zinc/33/90/16/463339016.db2.gz ANNFBVYSJBZXGO-IUODEOHRSA-N 1 0 341.415 2.209 20 70 EEIDRO C[C@]1(O)CCCN(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000160480893 463342645 /nfs/dbraw/zinc/34/26/45/463342645.db2.gz PMILRVHQKMERSH-MJGOQNOKSA-N 1 0 331.460 2.207 20 70 EEIDRO Cn1cnc2cc(C(=O)NC[C@@H]3CCC[N@@H+]3Cc3ccccc3)cnc21 ZINC000160515828 463345154 /nfs/dbraw/zinc/34/51/54/463345154.db2.gz VNMKLJYUBPHIJC-KRWDZBQOSA-N 1 0 349.438 2.363 20 70 EEIDRO O=C(NCC1CC[NH+](CCO)CC1)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000160710663 463364327 /nfs/dbraw/zinc/36/43/27/463364327.db2.gz DIEPTLLYCKHHEL-ZIAGYGMSSA-N 1 0 336.398 2.176 20 70 EEIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2ncoc2-c2ccc3c(c2)OCCO3)C1 ZINC000160754242 463368605 /nfs/dbraw/zinc/36/86/05/463368605.db2.gz TYBPHBDXWRHNIQ-QWHCGFSZSA-N 1 0 343.383 2.113 20 70 EEIDRO C[NH2+][C@H]1CCN(C(=O)[C@H](C)Oc2ccc(Br)cc2)C1 ZINC000160783097 463370805 /nfs/dbraw/zinc/37/08/05/463370805.db2.gz FFCHIPOCQQERFN-JQWIXIFHSA-N 1 0 327.222 2.037 20 70 EEIDRO Cc1cc(CC(=O)N(C)c2ccc(OCC[NH+]3CCCC3)cc2)[nH]n1 ZINC000160839432 463376273 /nfs/dbraw/zinc/37/62/73/463376273.db2.gz QJCVAUBKLPOTNG-UHFFFAOYSA-N 1 0 342.443 2.398 20 70 EEIDRO C[C@@H]1CCO[C@@H]1C(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000161017208 463392115 /nfs/dbraw/zinc/39/21/15/463392115.db2.gz YPMARLGTZNEIDW-CBZIJGRNSA-N 1 0 338.492 2.149 20 70 EEIDRO CCC(CC)(C[NH3+])C(=O)N(C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000161232367 463411918 /nfs/dbraw/zinc/41/19/18/463411918.db2.gz SMSUMWDEMGBFEB-MRXNPFEDSA-N 1 0 331.460 2.406 20 70 EEIDRO Cc1nn(CC(F)(F)F)c(C)c1CC(=O)NCCCn1ccnc1 ZINC000161358217 463424144 /nfs/dbraw/zinc/42/41/44/463424144.db2.gz XPTQCFABDPUWJH-UHFFFAOYSA-N 1 0 343.353 2.008 20 70 EEIDRO CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)[C@@H](CC)[NH+](C)C)c1 ZINC000161382736 463426560 /nfs/dbraw/zinc/42/65/60/463426560.db2.gz CMTPKBFAZHWVHU-IUODEOHRSA-N 1 0 341.477 2.042 20 70 EEIDRO CC(=O)CCc1ccc(OCCC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000161490666 463433427 /nfs/dbraw/zinc/43/34/27/463433427.db2.gz DIAFJJCNJPPAEI-IAGOWNOFSA-N 1 0 332.444 2.363 20 70 EEIDRO CCC[NH+]1CCN(C(=O)Nc2ccc(-c3ncn(C)n3)cc2)CC1 ZINC000160537993 528239798 /nfs/dbraw/zinc/23/97/98/528239798.db2.gz WFMLSWKJUZHFGR-UHFFFAOYSA-N 1 0 328.420 2.042 20 70 EEIDRO CC[N@@H+]1CCCN(C(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)CC1 ZINC000159749800 529026713 /nfs/dbraw/zinc/02/67/13/529026713.db2.gz OFHLZDJNEBVDNN-MRXNPFEDSA-N 1 0 348.466 2.389 20 70 EEIDRO CC[C@@H](C)N(C)CC[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(OC)c1 ZINC000160101225 529344364 /nfs/dbraw/zinc/34/43/64/529344364.db2.gz OAZNJUCOVMUPDK-KGLIPLIRSA-N 1 0 342.505 2.480 20 70 EEIDRO Cc1ccc(C)c(OCCC(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000160285536 237236608 /nfs/dbraw/zinc/23/66/08/237236608.db2.gz QHANJKNLBUSWQC-QGZVFWFLSA-N 1 0 334.460 2.035 20 70 EEIDRO C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)C1 ZINC000160549557 532966997 /nfs/dbraw/zinc/96/69/97/532966997.db2.gz XBXGOKXQZOQDKB-GDBMZVCRSA-N 1 0 349.862 2.013 20 70 EEIDRO O=C(NCCc1nc(-c2ccc(Cl)cc2)no1)[C@@H]1CCC[NH2+]C1 ZINC000159651680 225255135 /nfs/dbraw/zinc/25/51/35/225255135.db2.gz JFLJJSJYYXVKJQ-GFCCVEGCSA-N 1 0 334.807 2.048 20 70 EEIDRO Cn1cc(N2CCC[C@H]([N@@H+]3CC[C@H](Nc4ccccc4)C3)C2=O)cn1 ZINC000160282218 225379614 /nfs/dbraw/zinc/37/96/14/225379614.db2.gz IJURGPUIOYVMQL-WMZOPIPTSA-N 1 0 339.443 2.102 20 70 EEIDRO CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)NCC(C)(C)[NH3+])CC1=O ZINC000160017145 287787655 /nfs/dbraw/zinc/78/76/55/287787655.db2.gz YRVIVLRROHZXQU-KBPBESRZSA-N 1 0 331.460 2.407 20 70 EEIDRO C[C@H](CNC(=O)Nc1ccnn1C[C@@H]1CCOC1)[NH+]1CCC(C)CC1 ZINC000159400101 311341070 /nfs/dbraw/zinc/34/10/70/311341070.db2.gz NEXKYTOMFQZRCU-CVEARBPZSA-N 1 0 349.479 2.162 20 70 EEIDRO CC(C)[NH2+]CCC(=O)NCCc1nc(-c2cccc(Cl)c2)no1 ZINC000160172387 311350813 /nfs/dbraw/zinc/35/08/13/311350813.db2.gz FTQZUYRBCJOCOT-UHFFFAOYSA-N 1 0 336.823 2.437 20 70 EEIDRO CCN(C(=O)NCc1cnn(C)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000159577638 463294500 /nfs/dbraw/zinc/29/45/00/463294500.db2.gz MOWYFJGPPGCQPE-GOSISDBHSA-N 1 0 341.459 2.226 20 70 EEIDRO C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000160388239 463332908 /nfs/dbraw/zinc/33/29/08/463332908.db2.gz ZFCPWXAVJLQMLM-RHSMWYFYSA-N 1 0 333.432 2.318 20 70 EEIDRO COC(=O)Cc1cccc(NC(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)c1 ZINC000160490954 463342745 /nfs/dbraw/zinc/34/27/45/463342745.db2.gz GABRSIDOYKNOHJ-GOSISDBHSA-N 1 0 348.443 2.134 20 70 EEIDRO COCc1cc([C@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)ccc1OC ZINC000160492409 463342871 /nfs/dbraw/zinc/34/28/71/463342871.db2.gz FNERVXLMTJPYEM-LRDDRELGSA-N 1 0 330.432 2.407 20 70 EEIDRO CCC([NH3+])(CC)CNC(=O)CCC(=O)c1ccc(OC)c(OC)c1 ZINC000160528159 463346392 /nfs/dbraw/zinc/34/63/92/463346392.db2.gz OHOOAOGCBNPLAZ-UHFFFAOYSA-N 1 0 336.432 2.300 20 70 EEIDRO O=C(NCC1CC[NH+](CCO)CC1)c1csc(-c2ccccc2)n1 ZINC000160595819 463353786 /nfs/dbraw/zinc/35/37/86/463353786.db2.gz VHLWEIJUAFINLB-UHFFFAOYSA-N 1 0 345.468 2.244 20 70 EEIDRO CC(C)NC(=O)C[NH2+][C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000160904703 463380117 /nfs/dbraw/zinc/38/01/17/463380117.db2.gz ZHPYQMNOVLCSRV-ZDUSSCGKSA-N 1 0 339.867 2.191 20 70 EEIDRO O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000161015637 463390400 /nfs/dbraw/zinc/39/04/00/463390400.db2.gz KBAYSOKCOZPGIJ-TWMKSMIVSA-N 1 0 333.476 2.071 20 70 EEIDRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)NOCc1cccnc1 ZINC000161075683 463397649 /nfs/dbraw/zinc/39/76/49/463397649.db2.gz DMALGWQFCCPTCK-UHFFFAOYSA-N 1 0 340.427 2.261 20 70 EEIDRO CC[NH2+]CC1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)CC1 ZINC000161116293 463401074 /nfs/dbraw/zinc/40/10/74/463401074.db2.gz FPMRMOUVZHQBSH-QGZVFWFLSA-N 1 0 343.471 2.196 20 70 EEIDRO CCC[C@@H](O)CNC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000161210781 463410045 /nfs/dbraw/zinc/41/00/45/463410045.db2.gz PDXSLVSCYOXSKW-WMLDXEAASA-N 1 0 334.464 2.067 20 70 EEIDRO C[C@@H](CNC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)C[C@H](C)O ZINC000161261791 463413731 /nfs/dbraw/zinc/41/37/31/463413731.db2.gz PLKKVCIAAQUAHC-PMPSAXMXSA-N 1 0 348.491 2.313 20 70 EEIDRO Cc1conc1NC(=O)C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000161303630 463417803 /nfs/dbraw/zinc/41/78/03/463417803.db2.gz KJXPEHIQVWLOTO-ZDUSSCGKSA-N 1 0 344.415 2.167 20 70 EEIDRO COc1cccc(-c2cc(C(=O)N3CC[C@@H]([NH+]4CCCC4)C3)[nH]n2)c1 ZINC000161334615 463422480 /nfs/dbraw/zinc/42/24/80/463422480.db2.gz NQCUZFWQUWCKHP-OAHLLOKOSA-N 1 0 340.427 2.396 20 70 EEIDRO CCOCCC1(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)CCC1 ZINC000161372670 463425281 /nfs/dbraw/zinc/42/52/81/463425281.db2.gz GCGYQTDZEGLFBD-HOTGVXAUSA-N 1 0 326.481 2.199 20 70 EEIDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CCC2(CCC2)C1 ZINC000159366674 533867221 /nfs/dbraw/zinc/86/72/21/533867221.db2.gz IDFDIBQEJCXQLO-UHFFFAOYSA-N 1 0 329.444 2.398 20 70 EEIDRO C[C@H]1[C@H](c2ccccc2)CCN1C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000161418593 518185246 /nfs/dbraw/zinc/18/52/46/518185246.db2.gz DDRIBYJZUFATNB-WMLDXEAASA-N 1 0 339.443 2.221 20 70 EEIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cc(F)cc(C(F)(F)F)c1 ZINC000160208063 534538137 /nfs/dbraw/zinc/53/81/37/534538137.db2.gz VBHMAVPSXAYVKC-CQSZACIVSA-N 1 0 348.340 2.421 20 70 EEIDRO CCCOCc1ccccc1CNC(=O)C[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000159792279 528593362 /nfs/dbraw/zinc/59/33/62/528593362.db2.gz BZKKRLFANSVTMX-MJGOQNOKSA-N 1 0 348.487 2.322 20 70 EEIDRO CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)NCC[NH+]2CCC(C)CC2)C1 ZINC000160232533 529300172 /nfs/dbraw/zinc/30/01/72/529300172.db2.gz PFDVETMMTPTAKY-IAGOWNOFSA-N 1 0 337.508 2.119 20 70 EEIDRO CC[NH+](CC)CCNC(=O)N1CCN([C@@H](C)c2ccsc2)CC1 ZINC000159458023 535532350 /nfs/dbraw/zinc/53/23/50/535532350.db2.gz ZFMIPZYAZNPMLO-HNNXBMFYSA-N 1 0 338.521 2.478 20 70 EEIDRO CC[NH+](CC)C1CCN(c2ncc(S(=O)(=O)F)cc2C)CC1 ZINC001165054108 722007658 /nfs/dbraw/zinc/00/76/58/722007658.db2.gz IVNHYHYBBJHIBW-UHFFFAOYSA-N 1 0 329.441 2.359 20 70 EEIDRO CC[C@@H]1Oc2cc([C@H](C)NC(=O)[C@@H]3CCC[C@H]([NH3+])C3)ccc2NC1=O ZINC000161370245 529475174 /nfs/dbraw/zinc/47/51/74/529475174.db2.gz WRNMLGTURGGUFA-AEIGPULVSA-N 1 0 345.443 2.491 20 70 EEIDRO O=C(CN1CCN(c2cc[nH+]cc2)CC1)Nc1ccccc1Cl ZINC000161293876 539526264 /nfs/dbraw/zinc/52/62/64/539526264.db2.gz QQYKOESWSVQSDL-UHFFFAOYSA-N 1 0 330.819 2.496 20 70 EEIDRO CCC([NH3+])(CC)CNC(=O)CCC(=O)N1CCc2sccc2C1 ZINC000160494564 255798021 /nfs/dbraw/zinc/79/80/21/255798021.db2.gz YMLWPPLTQCFDAN-UHFFFAOYSA-N 1 0 337.489 2.047 20 70 EEIDRO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1Cc1cccc2[nH]ccc21 ZINC000159463064 533401833 /nfs/dbraw/zinc/40/18/33/533401833.db2.gz NHVHGTRBPJAAAC-OAHLLOKOSA-N 1 0 335.473 2.462 20 70 EEIDRO CC(C)OCc1ccccc1CNC(=O)C[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159541455 311342543 /nfs/dbraw/zinc/34/25/43/311342543.db2.gz DIWXGNNMTIUXIG-HKUYNNGSSA-N 1 0 348.487 2.321 20 70 EEIDRO Cc1cc(NC(=O)[C@@H]2CCCN2Cc2ccc(F)cc2)c[nH]c1=O ZINC000159574280 311343029 /nfs/dbraw/zinc/34/30/29/311343029.db2.gz GUYTWWKHBWAURG-INIZCTEOSA-N 1 0 329.375 2.426 20 70 EEIDRO C[C@@H](CNC(=O)N(C)CCC(=O)OC(C)(C)C)[N@@H+]1CCC[C@H](C)C1 ZINC000160268141 311352189 /nfs/dbraw/zinc/35/21/89/311352189.db2.gz XJYZRSOZVHXSRI-GJZGRUSLSA-N 1 0 341.496 2.480 20 70 EEIDRO CCc1ncc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)s1 ZINC000160544962 311355585 /nfs/dbraw/zinc/35/55/85/311355585.db2.gz XSAFFBQOZBASEP-ZIAGYGMSSA-N 1 0 337.489 2.203 20 70 EEIDRO Cc1noc(C)c1CCC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160593787 311356140 /nfs/dbraw/zinc/35/61/40/311356140.db2.gz ORWSERSOBONAPI-MSOLQXFVSA-N 1 0 349.475 2.108 20 70 EEIDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)CS(=O)(=O)C(C)(C)C)C1 ZINC000160647826 311356802 /nfs/dbraw/zinc/35/68/02/311356802.db2.gz QZQAIKBNJGJYJG-GASCZTMLSA-N 1 0 346.537 2.074 20 70 EEIDRO Cc1ccc(C)c([C@H](C)[NH2+]CCCC[NH+]2CCN(CCO)CC2)c1 ZINC000160925400 311359950 /nfs/dbraw/zinc/35/99/50/311359950.db2.gz CUYLTIIEIFLCOS-IBGZPJMESA-N 1 0 333.520 2.344 20 70 EEIDRO CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)C1(OC)CC[NH2+]CC1 ZINC000159458133 463287100 /nfs/dbraw/zinc/28/71/00/463287100.db2.gz NFQRGPUZGFUPMF-SWLSCSKDSA-N 1 0 340.851 2.301 20 70 EEIDRO CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1ccc(C(C)(C)C(N)=O)cc1 ZINC000159848143 463308459 /nfs/dbraw/zinc/30/84/59/463308459.db2.gz SLPCRAFHJPUNMV-CYBMUJFWSA-N 1 0 334.464 2.301 20 70 EEIDRO O=C(/C=C/c1cc(Cl)c2c(c1)OCCO2)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160332045 463328662 /nfs/dbraw/zinc/32/86/62/463328662.db2.gz AAKIYEGWCWDYCO-TWRSITDPSA-N 1 0 348.830 2.477 20 70 EEIDRO C[NH2+][C@@H]1CCN(C(=O)c2ccc(NC(=O)c3cccs3)cc2)C1 ZINC000160559919 463350328 /nfs/dbraw/zinc/35/03/28/463350328.db2.gz XNHCRQFNHRSNPT-CQSZACIVSA-N 1 0 329.425 2.434 20 70 EEIDRO C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCN(C(=O)Nc3cccc(C)c3)C2)C1 ZINC000160570463 463351382 /nfs/dbraw/zinc/35/13/82/463351382.db2.gz HXUKSAWNRGEBBC-NVXWUHKLSA-N 1 0 344.459 2.059 20 70 EEIDRO C[C@@H]1CCC[N@H+](CCNC(=O)c2ccnc(OCC(F)(F)F)c2)C1 ZINC000160590389 463352092 /nfs/dbraw/zinc/35/20/92/463352092.db2.gz JSDQGHTYPKDKLZ-GFCCVEGCSA-N 1 0 345.365 2.484 20 70 EEIDRO C[NH+](C)C1CCN(CCNC(=O)CCc2ccc(F)cc2F)CC1 ZINC000160914836 463381593 /nfs/dbraw/zinc/38/15/93/463381593.db2.gz NBEDDYORSNUQIE-UHFFFAOYSA-N 1 0 339.430 2.040 20 70 EEIDRO CC(C)Oc1cccc([C@H](O)CNC(=O)[C@H]([NH3+])Cc2ccccc2)c1 ZINC000160962761 463385809 /nfs/dbraw/zinc/38/58/09/463385809.db2.gz XNAWCJOMRBEYHW-RTBURBONSA-N 1 0 342.439 2.193 20 70 EEIDRO COc1cc(CCC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc(OC)c1OC ZINC000160973505 463387077 /nfs/dbraw/zinc/38/70/77/463387077.db2.gz OSOZVNZQADTMGJ-UONOGXRCSA-N 1 0 336.432 2.031 20 70 EEIDRO CCC(=O)N1CC[C@H](C(=O)NC[C@H](c2ccco2)[NH+](CC)CC)C1 ZINC000161036912 463394497 /nfs/dbraw/zinc/39/44/97/463394497.db2.gz MQAYXKJDPLVFBE-LSDHHAIUSA-N 1 0 335.448 2.037 20 70 EEIDRO Cc1c(/C=C/C(=O)NCc2ccc(-n3ccnc3)c(F)c2)cnn1C ZINC000161101944 463400271 /nfs/dbraw/zinc/40/02/71/463400271.db2.gz IHOWVIPPWBSMHC-GQCTYLIASA-N 1 0 339.374 2.383 20 70 EEIDRO CC(C)[C@@H](O)CCNC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000161187634 463409584 /nfs/dbraw/zinc/40/95/84/463409584.db2.gz NWWFCJVJMUIJPP-QAPCUYQASA-N 1 0 348.491 2.313 20 70 EEIDRO CCN1CCCC[C@@H]1C[NH2+][C@@H](C)c1ccc(S(=O)(=O)NC)cc1 ZINC000161210132 463410414 /nfs/dbraw/zinc/41/04/14/463410414.db2.gz ZQFGWYYACYHREG-GOEBONIOSA-N 1 0 339.505 2.120 20 70 EEIDRO COCCc1ccc(OCCCC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000161256504 463413811 /nfs/dbraw/zinc/41/38/11/463413811.db2.gz IQSOTKQFGYJCTA-DLBZAZTESA-N 1 0 334.460 2.421 20 70 EEIDRO COCC[NH+]1CCC(NC(=O)CCc2ccc(F)cc2F)CC1 ZINC000161350790 463423955 /nfs/dbraw/zinc/42/39/55/463423955.db2.gz QDENIGIZIRLFFD-UHFFFAOYSA-N 1 0 326.387 2.124 20 70 EEIDRO Cn1cnc(-c2cccc(NC(=O)NCC[N@H+](C)C3CCCC3)c2)n1 ZINC000161433923 463429600 /nfs/dbraw/zinc/42/96/00/463429600.db2.gz LYQFOZDWVSCSSF-UHFFFAOYSA-N 1 0 342.447 2.478 20 70 EEIDRO C[C@@H](Cn1cc(Br)cn1)[NH2+]C[C@H](CO)c1ccccc1 ZINC000161493788 463434236 /nfs/dbraw/zinc/43/42/36/463434236.db2.gz NKSCBFHDBISHCJ-GXTWGEPZSA-N 1 0 338.249 2.400 20 70 EEIDRO C[C@H]([NH2+]CCCN1CCCC1=O)c1cccc(N2CCOC2=O)c1 ZINC000159469183 533847781 /nfs/dbraw/zinc/84/77/81/533847781.db2.gz BARITYHVIRPKCO-AWEZNQCLSA-N 1 0 331.416 2.306 20 70 EEIDRO COc1ccc(NC(=O)[C@H](C)[N@H+](C)C[C@@H]2CCC[C@@H]2O)cc1OC ZINC000159635042 534158712 /nfs/dbraw/zinc/15/87/12/534158712.db2.gz KNBYEDSJDVIXOQ-YDHLFZDLSA-N 1 0 336.432 2.124 20 70 EEIDRO OCCOCC[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000160308542 534368131 /nfs/dbraw/zinc/36/81/31/534368131.db2.gz BHPKFITXUOVQGG-UHFFFAOYSA-N 1 0 325.206 2.096 20 70 EEIDRO Cc1ccc2nc(C)c(C(=O)NC[C@H](O)C[NH+]3CCCCC3)cc2c1 ZINC000160281127 534492117 /nfs/dbraw/zinc/49/21/17/534492117.db2.gz OUYFJCYQPGKMBO-KRWDZBQOSA-N 1 0 341.455 2.428 20 70 EEIDRO CC(=O)Nc1cc(C(=O)N2CCC([NH2+]CC3CC3)CC2)ccc1F ZINC000159778932 526910933 /nfs/dbraw/zinc/91/09/33/526910933.db2.gz LKTRUIIOBUPFPL-UHFFFAOYSA-N 1 0 333.407 2.388 20 70 EEIDRO CCC(CC)(C[NH2+]CC(=O)NCc1ccc(C)c(F)c1)C(=O)OC ZINC000159654893 528691617 /nfs/dbraw/zinc/69/16/17/528691617.db2.gz YHAIOCZNJBJGBV-UHFFFAOYSA-N 1 0 338.423 2.319 20 70 EEIDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)NCC1(CCO)CCC1 ZINC000160939937 255801278 /nfs/dbraw/zinc/80/12/78/255801278.db2.gz JRXCOCXJSSPWID-INIZCTEOSA-N 1 0 325.497 2.349 20 70 EEIDRO CCC(CC)n1nccc1C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000161374535 255802622 /nfs/dbraw/zinc/80/26/22/255802622.db2.gz CYFGHYMGVONNOM-HUUCEWRRSA-N 1 0 336.480 2.473 20 70 EEIDRO CC(C)(C(N)=O)c1ccc(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000159954279 143804976 /nfs/dbraw/zinc/80/49/76/143804976.db2.gz WNVVJRNJLPDZKU-MRXNPFEDSA-N 1 0 344.459 2.152 20 70 EEIDRO COC1(C(=O)Nc2ccc(O[C@H]3CCCC[C@@H]3O)cc2)CC[NH2+]CC1 ZINC000159424539 225215660 /nfs/dbraw/zinc/21/56/60/225215660.db2.gz PWCNWKBYEJHHDZ-IRXDYDNUSA-N 1 0 348.443 2.076 20 70 EEIDRO Cc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)cc1C ZINC000159476570 225224501 /nfs/dbraw/zinc/22/45/01/225224501.db2.gz JBBIRLTWFHOPIO-MRXNPFEDSA-N 1 0 331.460 2.336 20 70 EEIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1sccc1Br ZINC000160070716 225332166 /nfs/dbraw/zinc/33/21/66/225332166.db2.gz NZDUALRRBSPGGG-SNVBAGLBSA-N 1 0 347.278 2.087 20 70 EEIDRO [NH3+]C[C@H]1CCCN1C(=O)[C@@H]1CC(=O)N(c2cccc3ccccc32)C1 ZINC000160161820 225351187 /nfs/dbraw/zinc/35/11/87/225351187.db2.gz QKUNNDPAOSHRAA-HZPDHXFCSA-N 1 0 337.423 2.142 20 70 EEIDRO Cc1ncc(/C=C/C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)s1 ZINC000160642018 225443843 /nfs/dbraw/zinc/44/38/43/225443843.db2.gz YHBNJVYQSLXXDL-YMPXZSTISA-N 1 0 349.500 2.349 20 70 EEIDRO CC(=O)NC1CCC([NH2+][C@H](CN2CCOCC2)c2ccccc2)CC1 ZINC000161237503 278089529 /nfs/dbraw/zinc/08/95/29/278089529.db2.gz YPEFKLBOELEKGX-SOAGJPPSSA-N 1 0 345.487 2.097 20 70 EEIDRO CC1(C)CN(C(=O)Cc2ccc(OCc3ccccn3)cc2)CC[NH2+]1 ZINC000160349651 311353267 /nfs/dbraw/zinc/35/32/67/311353267.db2.gz WYIGKWBQXMCOKB-UHFFFAOYSA-N 1 0 339.439 2.414 20 70 EEIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CCn1c2ccccc2oc1=O ZINC000160563043 311355682 /nfs/dbraw/zinc/35/56/82/311355682.db2.gz FCZSPCDAOZWDME-OAHLLOKOSA-N 1 0 345.443 2.221 20 70 EEIDRO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000161459855 311365923 /nfs/dbraw/zinc/36/59/23/311365923.db2.gz QXSVJNJURWWOGL-CVEARBPZSA-N 1 0 335.517 2.304 20 70 EEIDRO C[C@H](c1ncc(C(C)(C)C)o1)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000159421228 463286121 /nfs/dbraw/zinc/28/61/21/463286121.db2.gz MJJRWHYBUYQBQX-UKRRQHHQSA-N 1 0 348.491 2.447 20 70 EEIDRO Cc1cccc2nc(CNC(=O)N3CC[N@@H+](C)C[C@@H]3C(C)C)cn21 ZINC000159544827 463291417 /nfs/dbraw/zinc/29/14/17/463291417.db2.gz BHNHYKRCQDLNBG-MRXNPFEDSA-N 1 0 329.448 2.124 20 70 EEIDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2cccc(Nc3cnccn3)c2)C1 ZINC000160280134 463325205 /nfs/dbraw/zinc/32/52/05/463325205.db2.gz IQUKFBDGVNMKAR-AWEZNQCLSA-N 1 0 325.416 2.244 20 70 EEIDRO C[C@@H]1CCC[C@@](CNC(=O)c2cccc3[nH]c(=O)oc32)([NH+](C)C)C1 ZINC000160412660 463335507 /nfs/dbraw/zinc/33/55/07/463335507.db2.gz KKOVSHGWKJHMNX-KZULUSFZSA-N 1 0 331.416 2.361 20 70 EEIDRO COc1ccc2c(c1)[C@@H]([NH2+]CC(=O)NCC(F)(F)F)CCCO2 ZINC000160528663 463347242 /nfs/dbraw/zinc/34/72/42/463347242.db2.gz OOZGWOAKXPJALD-LBPRGKRZSA-N 1 0 332.322 2.177 20 70 EEIDRO COc1ccccc1C[C@@H](C)CC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160592841 463352999 /nfs/dbraw/zinc/35/29/99/463352999.db2.gz JBPQVTWDBWFACB-SJLPKXTDSA-N 1 0 348.487 2.227 20 70 EEIDRO Cc1cccc(-n2cc(C(=O)N[C@@H](C)C[N@@H+]3CCC[C@H](C)C3)nn2)c1 ZINC000160969521 463385827 /nfs/dbraw/zinc/38/58/27/463385827.db2.gz NNNNLNLLYZCSNQ-HOTGVXAUSA-N 1 0 341.459 2.426 20 70 EEIDRO CCN(CC(=O)Nc1c(C)cccc1C)C(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1[NH3+] ZINC000161058373 463396224 /nfs/dbraw/zinc/39/62/24/463396224.db2.gz ZLNUQYYHMBPDJF-FZCLSBEQSA-N 1 0 343.471 2.464 20 70 EEIDRO CNS(=O)(=O)c1ccc([C@H](C)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000161130942 463401833 /nfs/dbraw/zinc/40/18/33/463401833.db2.gz NWIXPNRJLPTYLR-IMJJTQAJSA-N 1 0 339.505 2.118 20 70 EEIDRO CC(=O)NC1CCC([NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)CC1 ZINC000161495342 463434299 /nfs/dbraw/zinc/43/42/99/463434299.db2.gz IGEFUQAKGGYQGU-OFLPRAFFSA-N 1 0 329.444 2.108 20 70 EEIDRO CCCN(CC1CC1)S(=O)(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000160292479 528025846 /nfs/dbraw/zinc/02/58/46/528025846.db2.gz FLHPWFUWHORJEY-MRXNPFEDSA-N 1 0 331.526 2.063 20 70 EEIDRO CCC(CC)(C[NH2+]CC(=O)N[C@@H](C)c1cccs1)C(=O)OC ZINC000159661359 528690691 /nfs/dbraw/zinc/69/06/91/528690691.db2.gz YBAJMSSYTIBEMM-LBPRGKRZSA-N 1 0 326.462 2.494 20 70 EEIDRO CC1(C(=O)N[C@@H]2C=C[C@H](CO)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000159415648 528856487 /nfs/dbraw/zinc/85/64/87/528856487.db2.gz JABLFCDIFVAZNO-ZWKOTPCHSA-N 1 0 328.456 2.342 20 70 EEIDRO C[NH+](C)C[C@H]1CN(Cc2ccc(C(=O)OC(C)(C)C)cc2)CCO1 ZINC000160013879 535969039 /nfs/dbraw/zinc/96/90/39/535969039.db2.gz KWYNHCOYXNUEDB-KRWDZBQOSA-N 1 0 334.460 2.404 20 70 EEIDRO O=C(Cc1ccc(Cl)c(Cl)c1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160254204 237235360 /nfs/dbraw/zinc/23/53/60/237235360.db2.gz WWAWUSRACKRNRT-CYBMUJFWSA-N 1 0 345.270 2.499 20 70 EEIDRO COc1cc([C@H](C)[NH2+]CCCN2CCCC2=O)cc(OC)c1OC ZINC000159509007 225231733 /nfs/dbraw/zinc/23/17/33/225231733.db2.gz BUHXDNFEHFHUGW-ZDUSSCGKSA-N 1 0 336.432 2.376 20 70 EEIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccnc(Cl)c1 ZINC000160667874 225448096 /nfs/dbraw/zinc/44/80/96/225448096.db2.gz YCYJBTQDPPVANI-CABCVRRESA-N 1 0 337.851 2.233 20 70 EEIDRO Cc1nn(-c2ccccc2)c(C)c1CNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000161312458 225600339 /nfs/dbraw/zinc/60/03/39/225600339.db2.gz INRXYJBLXWATSN-LJQANCHMSA-N 1 0 326.444 2.495 20 70 EEIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1nn(-c2ccc(C)cc2)c2c1CCC2 ZINC000161162198 277285393 /nfs/dbraw/zinc/28/53/93/277285393.db2.gz XBMMVEGDGQSMCO-MRXNPFEDSA-N 1 0 338.455 2.493 20 70 EEIDRO COCCC[NH+]1CCC(NC(=O)c2cnc(C(C)C)s2)CC1 ZINC000161453223 277494885 /nfs/dbraw/zinc/49/48/85/277494885.db2.gz YIZHQBOQZVVBPW-UHFFFAOYSA-N 1 0 325.478 2.497 20 70 EEIDRO CC(C)[NH+]1CCN(C(=O)[C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000159554976 311342854 /nfs/dbraw/zinc/34/28/54/311342854.db2.gz RHFLDBLPHPRAAN-HUUCEWRRSA-N 1 0 339.480 2.232 20 70 EEIDRO CCN(Cc1cnn(-c2ccc(F)cc2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000160586130 311356170 /nfs/dbraw/zinc/35/61/70/311356170.db2.gz AJFWFFWHHUHLNH-MRXNPFEDSA-N 1 0 337.420 2.020 20 70 EEIDRO C[C@H](CNC(=O)CCNC(=O)C1CCCCC1)C[NH+]1CCCCC1 ZINC000160691915 311357554 /nfs/dbraw/zinc/35/75/54/311357554.db2.gz ODYDPLMRZRTZIH-MRXNPFEDSA-N 1 0 337.508 2.311 20 70 EEIDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@](C)(O)CSC ZINC000159458779 463287060 /nfs/dbraw/zinc/28/70/60/463287060.db2.gz PSCXZZAPWQRILH-HOCLYGCPSA-N 1 0 331.526 2.054 20 70 EEIDRO C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CCO[C@H](C2CC2)C1)Cc1ccccc1 ZINC000159492000 463288479 /nfs/dbraw/zinc/28/84/79/463288479.db2.gz LSCJTXMRBUYUOZ-QRVBRYPASA-N 1 0 345.487 2.416 20 70 EEIDRO CCC[N@H+](CCCc1nc(-c2ccccc2)no1)CC(=O)N(C)C ZINC000159499196 463289933 /nfs/dbraw/zinc/28/99/33/463289933.db2.gz ABANBHQSMQDBTR-UHFFFAOYSA-N 1 0 330.432 2.469 20 70 EEIDRO CC(C)N(CC[NH+](C)C)C(=O)N[C@H]1CCO[C@]2(CCSC2)C1 ZINC000159780131 463303686 /nfs/dbraw/zinc/30/36/86/463303686.db2.gz VLPWDAWXJUWRIM-GOEBONIOSA-N 1 0 329.510 2.023 20 70 EEIDRO CC(C)C[C@H](CNC(=O)CCN1c2ccccc2CCC1=O)[NH+](C)C ZINC000160043694 463315983 /nfs/dbraw/zinc/31/59/83/463315983.db2.gz KLXDEBBIQRLEHL-QGZVFWFLSA-N 1 0 345.487 2.448 20 70 EEIDRO C[NH+](C)C[C@H]1CCN(C(=O)c2cccc(Nc3cnccn3)c2)C1 ZINC000160280260 463325235 /nfs/dbraw/zinc/32/52/35/463325235.db2.gz IQUKFBDGVNMKAR-CQSZACIVSA-N 1 0 325.416 2.244 20 70 EEIDRO CC(C)CC(=O)NCCC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000160298635 463327303 /nfs/dbraw/zinc/32/73/03/463327303.db2.gz HOIVODJYRHVPSU-GOSISDBHSA-N 1 0 345.487 2.320 20 70 EEIDRO C[NH+]1CCN(CCNC(=O)CCc2cc(Cl)cc(Cl)c2)CC1 ZINC000160394167 463335285 /nfs/dbraw/zinc/33/52/85/463335285.db2.gz FWXIPRFRWOPWSF-UHFFFAOYSA-N 1 0 344.286 2.290 20 70 EEIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(Cl)o1 ZINC000160432029 463338262 /nfs/dbraw/zinc/33/82/62/463338262.db2.gz RIKSURAUZSAKON-OLZOCXBDSA-N 1 0 326.824 2.431 20 70 EEIDRO CCOCCCNC(=O)C1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000160546234 463349592 /nfs/dbraw/zinc/34/95/92/463349592.db2.gz DAIQJUKLBVSMHU-UHFFFAOYSA-N 1 0 339.524 2.117 20 70 EEIDRO CC(C)CC(=O)NCCC(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000160670406 463361612 /nfs/dbraw/zinc/36/16/12/463361612.db2.gz YCCSPRBSQAEHCS-IAGOWNOFSA-N 1 0 339.524 2.413 20 70 EEIDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)C2(NC(N)=O)CC2)cc1 ZINC000160790416 463371347 /nfs/dbraw/zinc/37/13/47/463371347.db2.gz UUZJGAXGSNZJQF-CYBMUJFWSA-N 1 0 330.432 2.200 20 70 EEIDRO CCS(=O)(=O)N1CCC([NH2+]Cc2cc(F)cc(Cl)c2)CC1 ZINC000160825824 463373734 /nfs/dbraw/zinc/37/37/34/463373734.db2.gz SQEUREWOTDVYRY-UHFFFAOYSA-N 1 0 334.844 2.383 20 70 EEIDRO CC[C@H]([NH2+][C@@H](C)C(=O)NC(=O)NC1CC1)c1ccc(F)cc1F ZINC000161026366 463391431 /nfs/dbraw/zinc/39/14/31/463391431.db2.gz SFRSWQUOQHKRFY-XPTSAGLGSA-N 1 0 325.359 2.382 20 70 EEIDRO C[C@@H](NC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(NC(N)=O)cc1 ZINC000161076254 463397488 /nfs/dbraw/zinc/39/74/88/463397488.db2.gz AFJWHCXJCZQVPE-CHWSQXEVSA-N 1 0 345.447 2.022 20 70 EEIDRO CC[N@H+](CC(=O)c1c[nH]c2ccc(C(=O)OC)cc12)CC(C)(C)O ZINC000161117037 463401277 /nfs/dbraw/zinc/40/12/77/463401277.db2.gz NCQUDSSDLNURRA-UHFFFAOYSA-N 1 0 332.400 2.230 20 70 EEIDRO CCC(CC)(C[NH3+])C(=O)NCc1ccc(CN2CCCC2=O)cc1 ZINC000161175586 463407139 /nfs/dbraw/zinc/40/71/39/463407139.db2.gz CIGUNDLMXRELHE-UHFFFAOYSA-N 1 0 331.460 2.190 20 70 EEIDRO O=C(CCc1cc2ccccc2[nH]c1=O)N1CC[NH+](CC2CC2)CC1 ZINC000161182641 463408160 /nfs/dbraw/zinc/40/81/60/463408160.db2.gz LYLDYNCYXWNHJI-UHFFFAOYSA-N 1 0 339.439 2.015 20 70 EEIDRO CCc1ccc([C@H](C)NC(=O)N2CCC([N@H+](C)CCO)CC2)cc1 ZINC000161249141 463414012 /nfs/dbraw/zinc/41/40/12/463414012.db2.gz DTSWVYXYHSOCGG-HNNXBMFYSA-N 1 0 333.476 2.408 20 70 EEIDRO CC[C@@H](CCO)CNC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000161341455 463423293 /nfs/dbraw/zinc/42/32/93/463423293.db2.gz XHDTWMWPCGLDMU-HOTGVXAUSA-N 1 0 348.491 2.315 20 70 EEIDRO COCCC1(C(=O)N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000161436739 463430853 /nfs/dbraw/zinc/43/08/53/463430853.db2.gz SFOGQPLZRCMRAP-HOTGVXAUSA-N 1 0 338.492 2.151 20 70 EEIDRO CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)[C@H]2CCC[NH2+]C2)c1 ZINC000159834722 526600274 /nfs/dbraw/zinc/60/02/74/526600274.db2.gz ZDIVTOPAGOUNDO-AWEZNQCLSA-N 1 0 338.473 2.338 20 70 EEIDRO CC(C)N(CC[NH+](C)C)C(=O)NCCc1nnc(-c2ccccc2)o1 ZINC000159825600 528894046 /nfs/dbraw/zinc/89/40/46/528894046.db2.gz JQJMUIXTEFADPJ-UHFFFAOYSA-N 1 0 345.447 2.261 20 70 EEIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H]2CCCN(c3ccccc3)C2)CC1 ZINC000159866281 529028347 /nfs/dbraw/zinc/02/83/47/529028347.db2.gz WZLGBSCTZMIVFK-QGZVFWFLSA-N 1 0 330.476 2.393 20 70 EEIDRO COC1CC[NH+](CCNC(=O)Nc2ccn(CCC(C)C)n2)CC1 ZINC000159954973 539519330 /nfs/dbraw/zinc/51/93/30/539519330.db2.gz VFLFQPASMMHIPP-UHFFFAOYSA-N 1 0 337.468 2.162 20 70 EEIDRO C[C@@H](C(=O)NCc1ccc(F)cc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161384261 539527493 /nfs/dbraw/zinc/52/74/93/539527493.db2.gz AXMXRARVHLPBRJ-HNNXBMFYSA-N 1 0 342.418 2.048 20 70 EEIDRO COCCN(CC[NH+](C)C)C(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000160808374 284980361 /nfs/dbraw/zinc/98/03/61/284980361.db2.gz AEWZCHFJDLQNRW-QZTJIDSGSA-N 1 0 349.475 2.126 20 70 EEIDRO COc1ccccc1[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)c1ccccn1 ZINC000159859111 533020231 /nfs/dbraw/zinc/02/02/31/533020231.db2.gz AKHBENXXOOVBHN-AEFFLSMTSA-N 1 0 325.412 2.390 20 70 EEIDRO C[C@H](NC(=O)Nc1ccnn1C[C@@H]1CCOC1)C(C)(C)C[NH+](C)C ZINC000159906758 143804293 /nfs/dbraw/zinc/80/42/93/143804293.db2.gz YTYSRHWYFHTWBV-KBPBESRZSA-N 1 0 337.468 2.017 20 70 EEIDRO O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1cccc(F)c1F ZINC000159374545 225205660 /nfs/dbraw/zinc/20/56/60/225205660.db2.gz OUPZULMXKUGWIZ-OAHLLOKOSA-N 1 0 346.377 2.114 20 70 EEIDRO C[C@H](O)C[N@H+](C)[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000159437743 225216889 /nfs/dbraw/zinc/21/68/89/225216889.db2.gz KBAHSDLLPOLILL-SMDDNHRTSA-N 1 0 328.359 2.096 20 70 EEIDRO CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)C1(OC)CC[NH2+]CC1 ZINC000159457874 225221576 /nfs/dbraw/zinc/22/15/76/225221576.db2.gz NFQRGPUZGFUPMF-WFASDCNBSA-N 1 0 340.851 2.301 20 70 EEIDRO C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCN(C(=O)c2ccc(C)cc2)C1 ZINC000161337217 277284566 /nfs/dbraw/zinc/28/45/66/277284566.db2.gz MIKOTIIQPLJMRN-QZTJIDSGSA-N 1 0 343.471 2.058 20 70 EEIDRO C[C@H](CNC(=O)c1cnc2c(c1)ncn2C)[N@H+](C)Cc1ccccc1 ZINC000160460623 279346089 /nfs/dbraw/zinc/34/60/89/279346089.db2.gz JZYZRQBGBHHQMO-CQSZACIVSA-N 1 0 337.427 2.219 20 70 EEIDRO Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000159534301 311342576 /nfs/dbraw/zinc/34/25/76/311342576.db2.gz JNRAKRPZQCTZCZ-MELADBBJSA-N 1 0 336.480 2.136 20 70 EEIDRO CC(C)[N@H+](C)CCNC(=O)CCSc1ccc2c(c1)OCCO2 ZINC000160181641 311350805 /nfs/dbraw/zinc/35/08/05/311350805.db2.gz QWGVQMVBHRXNGN-UHFFFAOYSA-N 1 0 338.473 2.396 20 70 EEIDRO CO[C@@H]1CCC[C@H]1NC(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000160293622 311352539 /nfs/dbraw/zinc/35/25/39/311352539.db2.gz QKVVWECLCPLINF-QZTJIDSGSA-N 1 0 331.460 2.302 20 70 EEIDRO CCCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2c(C)c[nH]c2=O)cc1 ZINC000159849235 463307540 /nfs/dbraw/zinc/30/75/40/463307540.db2.gz AFKIQJXURWUIOR-LSDHHAIUSA-N 1 0 344.459 2.429 20 70 EEIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cccc(OC(F)(F)F)c1 ZINC000160611741 463355569 /nfs/dbraw/zinc/35/55/69/463355569.db2.gz NUIFSLOYNDXQGS-CYBMUJFWSA-N 1 0 346.349 2.162 20 70 EEIDRO CN1CCN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)[C@H](c2ccccc2)C1 ZINC000160619782 463356656 /nfs/dbraw/zinc/35/66/56/463356656.db2.gz KOFKOPHUADLYJJ-MOPGFXCFSA-N 1 0 342.487 2.169 20 70 EEIDRO C[NH2+][C@@H]1CCN(C(=O)COc2ccc(Br)cc2Cl)C1 ZINC000160794061 463371421 /nfs/dbraw/zinc/37/14/21/463371421.db2.gz FHEAOAGTSPGZCR-SNVBAGLBSA-N 1 0 347.640 2.302 20 70 EEIDRO C[C@@H](Cc1ccccc1Cl)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160815428 463373659 /nfs/dbraw/zinc/37/36/59/463373659.db2.gz ZTDJIPGPIYBURM-GOEBONIOSA-N 1 0 338.879 2.482 20 70 EEIDRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)NOCc1cccnc1 ZINC000161001916 463389050 /nfs/dbraw/zinc/38/90/50/463389050.db2.gz FBSAYBKJVBRRAK-OAHLLOKOSA-N 1 0 330.388 2.243 20 70 EEIDRO O=S(=O)(NCCNc1cc[nH+]c2cc(F)ccc12)c1cccnc1 ZINC000161197281 463409597 /nfs/dbraw/zinc/40/95/97/463409597.db2.gz GIRCUYDOPVKCDI-UHFFFAOYSA-N 1 0 346.387 2.159 20 70 EEIDRO C[C@H](CNC(=O)N1CCCN(CC(F)F)CC1)[NH+]1CCC(C)CC1 ZINC000161211894 463409980 /nfs/dbraw/zinc/40/99/80/463409980.db2.gz PHDMEEQGKPSSSB-OAHLLOKOSA-N 1 0 346.466 2.089 20 70 EEIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)COc2ccccc2OCC(F)(F)F)C1 ZINC000161282246 463416055 /nfs/dbraw/zinc/41/60/55/463416055.db2.gz JKIVGCRALQBHTQ-VXGBXAGGSA-N 1 0 346.349 2.393 20 70 EEIDRO COc1cc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc(OC)c1OC(F)F ZINC000161451293 463430846 /nfs/dbraw/zinc/43/08/46/463430846.db2.gz OXZXEASPRMYBDZ-GHMZBOCLSA-N 1 0 344.358 2.305 20 70 EEIDRO O=C1[C@@H]([NH2+]C2CCC3(CC2)OCCO3)CCN1c1ccccc1F ZINC000161474462 463433717 /nfs/dbraw/zinc/43/37/17/463433717.db2.gz JAELNBFLQBEXBF-HNNXBMFYSA-N 1 0 334.391 2.206 20 70 EEIDRO C[C@H]([NH2+]CCN1C(=O)CNC1=O)c1nc(-c2ccccc2)cs1 ZINC000159839194 533857757 /nfs/dbraw/zinc/85/77/57/533857757.db2.gz QMHCVGOUNCMMND-NSHDSACASA-N 1 0 330.413 2.013 20 70 EEIDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc2c([nH]c1=O)CCCCC2 ZINC000159766346 529002335 /nfs/dbraw/zinc/00/23/35/529002335.db2.gz PQYDMTPPLHFHBX-OAHLLOKOSA-N 1 0 331.460 2.248 20 70 EEIDRO CCOC(=O)NCCCC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000159657261 529074090 /nfs/dbraw/zinc/07/40/90/529074090.db2.gz YOKPZHGOFZZDBH-HNNXBMFYSA-N 1 0 339.411 2.071 20 70 EEIDRO COc1ccc(OC)c2c1CN(CCC[NH+]1CCCCC1)C[C@@H]2O ZINC000161276507 532997063 /nfs/dbraw/zinc/99/70/63/532997063.db2.gz MOCOCMDCBPTYIZ-INIZCTEOSA-N 1 0 334.460 2.429 20 70 EEIDRO C[NH2+][C@H]1CCN(C(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)C1 ZINC000160509845 255797909 /nfs/dbraw/zinc/79/79/09/255797909.db2.gz HBCSBYPWMRMVKH-INIZCTEOSA-N 1 0 347.422 2.368 20 70 EEIDRO COc1cccc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000160310899 533405208 /nfs/dbraw/zinc/40/52/08/533405208.db2.gz RLZKFXNNUCBMRV-ROUUACIJSA-N 1 0 332.444 2.193 20 70 EEIDRO Cc1cccc(C(=O)N[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C(C)C)c1 ZINC000159578847 143800317 /nfs/dbraw/zinc/80/03/17/143800317.db2.gz RXEPSHNNHRYCLX-FGTMMUONSA-N 1 0 343.471 2.102 20 70 EEIDRO COc1ccc(-c2cc(C(=O)N(C)[C@H]3CCC[N@H+](C)C3)[nH]n2)cc1 ZINC000159919911 225301659 /nfs/dbraw/zinc/30/16/59/225301659.db2.gz BCHJEVRRVCINNV-AWEZNQCLSA-N 1 0 328.416 2.252 20 70 EEIDRO Cc1cc(F)ccc1S(=O)(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000160150213 225348365 /nfs/dbraw/zinc/34/83/65/225348365.db2.gz HAKDGTNZVXTRSR-UHFFFAOYSA-N 1 0 326.437 2.287 20 70 EEIDRO COCCC[NH+]1CCC(NC(=O)COc2cc(C)ccc2F)CC1 ZINC000161184315 225570040 /nfs/dbraw/zinc/57/00/40/225570040.db2.gz CCFVJZNOEWYIGB-UHFFFAOYSA-N 1 0 338.423 2.130 20 70 EEIDRO Cc1cc(C)cc(OCCN(C)C(=O)C[N@H+](C)C[C@H]2CCC[C@@H]2O)c1 ZINC000159639026 311343862 /nfs/dbraw/zinc/34/38/62/311343862.db2.gz ZBEVVVNTLILSJA-MJGOQNOKSA-N 1 0 348.487 2.233 20 70 EEIDRO COc1ccc([C@H](NC(=O)C[N@H+](C)C[C@@H]2CCC[C@@H]2O)C2CC2)cc1 ZINC000159694077 311344762 /nfs/dbraw/zinc/34/47/62/311344762.db2.gz WPKOEYVXJVCCBA-XKGZKEIXSA-N 1 0 346.471 2.355 20 70 EEIDRO CCC[C@H](C(=O)N1CCC[C@@H](c2nnc3n2CCCCC3)C1)[NH+](C)C ZINC000159459798 463286912 /nfs/dbraw/zinc/28/69/12/463286912.db2.gz JTZVVXDEVCUBPP-HZPDHXFCSA-N 1 0 347.507 2.441 20 70 EEIDRO CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(C(C)(C)C(N)=O)cc2)C1 ZINC000159990671 463314560 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C[C@@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000160549309 463349634 /nfs/dbraw/zinc/34/96/34/463349634.db2.gz MPAACMJOOFFTBQ-KYOSRNDESA-N 1 0 329.437 2.431 20 70 EEIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccnc(Cl)c1 ZINC000160668142 463360459 /nfs/dbraw/zinc/36/04/59/463360459.db2.gz YCYJBTQDPPVANI-HUUCEWRRSA-N 1 0 337.851 2.233 20 70 EEIDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N(Cc1ccco1)C[C@H]1CCCO1 ZINC000160758770 463367973 /nfs/dbraw/zinc/36/79/73/463367973.db2.gz UWNKVQZECISEGK-SJLPKXTDSA-N 1 0 347.459 2.455 20 70 EEIDRO CC[C@H](O)CCNC(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000160756977 463368617 /nfs/dbraw/zinc/36/86/17/463368617.db2.gz PUVDMHVQMNKQEJ-WMZOPIPTSA-N 1 0 349.475 2.292 20 70 EEIDRO C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1ccc(-c2ncn(C)n2)cc1 ZINC000160832864 463374846 /nfs/dbraw/zinc/37/48/46/463374846.db2.gz AQZMXZUKEZGWOK-CQSZACIVSA-N 1 0 342.447 2.478 20 70 EEIDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3ccn(CC(F)(F)F)n3)CC[C@@H]21 ZINC000160850824 463375838 /nfs/dbraw/zinc/37/58/38/463375838.db2.gz NIXIQXFSDQYJDL-RYUDHWBXSA-N 1 0 345.369 2.393 20 70 EEIDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCCN(CC(F)F)CC1 ZINC000160882147 463379302 /nfs/dbraw/zinc/37/93/02/463379302.db2.gz PFQXCCPDIDDRBG-HUUCEWRRSA-N 1 0 346.466 2.089 20 70 EEIDRO CO[C@H]1CCN(C(=O)c2cccc(Br)c2)[C@H](C[NH3+])C1 ZINC000161042883 463394564 /nfs/dbraw/zinc/39/45/64/463394564.db2.gz RRMHNMKIBNJGTH-STQMWFEESA-N 1 0 327.222 2.027 20 70 EEIDRO COCCC1(CNC(=O)N2CCc3c(nc(C(C)C)n3C)C2)CC1 ZINC000161075344 463397365 /nfs/dbraw/zinc/39/73/65/463397365.db2.gz GQFWOVVKSQCZPJ-UHFFFAOYSA-N 1 0 334.464 2.428 20 70 EEIDRO C[C@H](CNC(=O)[C@@]1(C)CC[NH2+]C1)Oc1ccccc1Br ZINC000161140967 463403184 /nfs/dbraw/zinc/40/31/84/463403184.db2.gz USVVGEONKVCWOG-ABAIWWIYSA-N 1 0 341.249 2.332 20 70 EEIDRO CCCCN(CCO)C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000161171692 463406912 /nfs/dbraw/zinc/40/69/12/463406912.db2.gz MFFAQLOEPHHDBP-MRXNPFEDSA-N 1 0 348.491 2.411 20 70 EEIDRO CC[C@](C)(O)CNC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000161190340 463409197 /nfs/dbraw/zinc/40/91/97/463409197.db2.gz UMUPBMKTGIJYJH-KSSFIOAISA-N 1 0 334.464 2.067 20 70 EEIDRO C[C@H](NC(=O)N1CCC([N@H+](C)CCO)CC1)c1cccc(Cl)c1 ZINC000161236331 463412780 /nfs/dbraw/zinc/41/27/80/463412780.db2.gz MDDRPZXDCODIPK-ZDUSSCGKSA-N 1 0 339.867 2.499 20 70 EEIDRO Cc1ccc(C(=O)NCC(C)(C)C[NH+](C)C)c(Br)n1 ZINC000160335547 534264505 /nfs/dbraw/zinc/26/45/05/534264505.db2.gz OPXJKPBECJUQNT-UHFFFAOYSA-N 1 0 328.254 2.470 20 70 EEIDRO CCC[C@@H]1CN(C(=O)NCc2ccc(O)cc2)CC[N@@H+]1CCOC ZINC000160130337 527778672 /nfs/dbraw/zinc/77/86/72/527778672.db2.gz KZZUWXCNGRUJCX-MRXNPFEDSA-N 1 0 335.448 2.035 20 70 EEIDRO CCCCN(CCO)C(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160031330 528426331 /nfs/dbraw/zinc/42/63/31/528426331.db2.gz LJKBJEJRXFUHJH-WMZOPIPTSA-N 1 0 333.476 2.453 20 70 EEIDRO CC[N@@H+]1CCCN(C(=O)NCCCn2cnc3ccccc32)CC1 ZINC000159550761 529025239 /nfs/dbraw/zinc/02/52/39/529025239.db2.gz PYOORQSSHKMTQU-UHFFFAOYSA-N 1 0 329.448 2.164 20 70 EEIDRO CCC(CC)(C[NH2+]CC(=O)N1CCc2sccc2C1)C(=O)OC ZINC000159660446 282117738 /nfs/dbraw/zinc/11/77/38/282117738.db2.gz XNWKESLDNMMCBB-UHFFFAOYSA-N 1 0 338.473 2.202 20 70 EEIDRO O=C(c1n[nH]c2ccccc21)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000159568423 539517222 /nfs/dbraw/zinc/51/72/22/539517222.db2.gz HICUHKPBJNRGBG-HNNXBMFYSA-N 1 0 342.443 2.280 20 70 EEIDRO Cc1noc(C)c1[C@H](C)NCC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000160438586 539522082 /nfs/dbraw/zinc/52/20/82/539522082.db2.gz AKIBBDZNQCHJEN-GUYCJALGSA-N 1 0 344.459 2.361 20 70 EEIDRO O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000216948508 539657604 /nfs/dbraw/zinc/65/76/04/539657604.db2.gz MHFKEBXCGIESTP-AEFFLSMTSA-N 1 0 328.437 2.336 20 70 EEIDRO C[C@H](C(=O)NCc1ccccc1OCCO)[C@@H]([NH3+])c1ccccc1 ZINC000159808775 237223010 /nfs/dbraw/zinc/22/30/10/237223010.db2.gz VFBLHJKLPFMFAZ-KBXCAEBGSA-N 1 0 328.412 2.010 20 70 EEIDRO C[C@H](OC[C@@H]1CCCCO1)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000159727322 299558003 /nfs/dbraw/zinc/55/80/03/299558003.db2.gz ARZVSBCJBCPFHI-RDJZCZTQSA-N 1 0 326.481 2.389 20 70 EEIDRO CCOCCC1(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)CCC1 ZINC000161372614 255802517 /nfs/dbraw/zinc/80/25/17/255802517.db2.gz GCGYQTDZEGLFBD-HZPDHXFCSA-N 1 0 326.481 2.199 20 70 EEIDRO O=C(c1cc(=O)[nH]c2cc(F)ccc21)N1CCC([NH2+]CC2CC2)CC1 ZINC000159778224 225275139 /nfs/dbraw/zinc/27/51/39/225275139.db2.gz IJYXCRXXINBLGP-UHFFFAOYSA-N 1 0 343.402 2.271 20 70 EEIDRO COc1ccc(CNC(=O)N2CCC(CCC[NH+](C)C)CC2)cn1 ZINC000160077418 311349614 /nfs/dbraw/zinc/34/96/14/311349614.db2.gz ASKGAPGDIDRVIH-UHFFFAOYSA-N 1 0 334.464 2.354 20 70 EEIDRO CCC(O)(CC)CNC(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160081702 311349715 /nfs/dbraw/zinc/34/97/15/311349715.db2.gz SLOPDYWHARTLOP-NVXWUHKLSA-N 1 0 333.476 2.500 20 70 EEIDRO Cc1csc(N2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)CC2)n1 ZINC000160110604 311350128 /nfs/dbraw/zinc/35/01/28/311350128.db2.gz JQIXLSJWAXOJLQ-UHFFFAOYSA-N 1 0 344.484 2.476 20 70 EEIDRO CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000160677115 311357302 /nfs/dbraw/zinc/35/73/02/311357302.db2.gz RSSRYKIWZMADDJ-CABCVRRESA-N 1 0 341.496 2.336 20 70 EEIDRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000161074304 311361954 /nfs/dbraw/zinc/36/19/54/311361954.db2.gz LZCQQTHOIMISEA-XBFCOCLRSA-N 1 0 329.286 2.497 20 70 EEIDRO CC(C)(CNC(=O)Nc1ccnn1C[C@H]1CCOC1)[NH+]1CCCCC1 ZINC000159490188 463288499 /nfs/dbraw/zinc/28/84/99/463288499.db2.gz XAPIMAACHBNRAK-OAHLLOKOSA-N 1 0 349.479 2.306 20 70 EEIDRO COc1ccc([C@H](CC(=O)NCC2([NH3+])CCCCC2)NC(C)=O)cc1 ZINC000159520807 463290162 /nfs/dbraw/zinc/29/01/62/463290162.db2.gz SQGPAPGOJNUQDL-KRWDZBQOSA-N 1 0 347.459 2.040 20 70 EEIDRO CCC[C@H](C)N1C[C@@H](C(=O)N2CCC([NH2+]CC3CC3)CC2)CC1=O ZINC000159824070 463307150 /nfs/dbraw/zinc/30/71/50/463307150.db2.gz UDORUZAIRJICQG-HOCLYGCPSA-N 1 0 335.492 2.014 20 70 EEIDRO COc1ccc2c(c1)OC[C@H](C(=O)N1CCC([NH2+]CC3CC3)CC1)C2 ZINC000159860328 463308350 /nfs/dbraw/zinc/30/83/50/463308350.db2.gz ATRXYZDHRAIHCK-MRXNPFEDSA-N 1 0 344.455 2.237 20 70 EEIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccc(N2CCCC2)c(F)c1 ZINC000160044081 463316119 /nfs/dbraw/zinc/31/61/19/463316119.db2.gz QBEIHHCGHBBSMH-INIZCTEOSA-N 1 0 349.450 2.003 20 70 EEIDRO CC(C)OCC[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000160214305 463324187 /nfs/dbraw/zinc/32/41/87/463324187.db2.gz DLXTZZMQFMBEJW-ZDUSSCGKSA-N 1 0 332.238 2.203 20 70 EEIDRO C[C@@H]1C[C@H](NC(=O)N2CC[C@]3(CCOC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000160284829 463325395 /nfs/dbraw/zinc/32/53/95/463325395.db2.gz VXUOJKUMVSRSKY-KPFFTGBYSA-N 1 0 343.471 2.471 20 70 EEIDRO Cc1ccc(N2CC[C@@H]([N@@H+]3CCC[C@H](CCC(N)=O)C3)C2=O)cc1 ZINC000160332346 463328340 /nfs/dbraw/zinc/32/83/40/463328340.db2.gz PIASGNDQDPKRNJ-NVXWUHKLSA-N 1 0 329.444 2.078 20 70 EEIDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000160367709 463331531 /nfs/dbraw/zinc/33/15/31/463331531.db2.gz KLTFLLWUHJNCET-FUHWJXTLSA-N 1 0 346.475 2.112 20 70 EEIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(-n2cccn2)n1 ZINC000160496838 463344695 /nfs/dbraw/zinc/34/46/95/463344695.db2.gz ZSTYEDUETOUVKS-OAHLLOKOSA-N 1 0 327.432 2.118 20 70 EEIDRO C[NH2+][C@H]1CCN(C(=O)c2cccc(C(=O)N(C)c3ccccc3)c2)C1 ZINC000160628213 463356493 /nfs/dbraw/zinc/35/64/93/463356493.db2.gz XBJLSJYCKRNWPU-KRWDZBQOSA-N 1 0 337.423 2.397 20 70 EEIDRO O=C(CCCc1c[nH]c2ccccc12)NCC1CC[NH+](CCO)CC1 ZINC000160696759 463363475 /nfs/dbraw/zinc/36/34/75/463363475.db2.gz ZAIVTUNONHJESS-UHFFFAOYSA-N 1 0 343.471 2.311 20 70 EEIDRO CCc1c(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)nnn1-c1cccc(Cl)c1 ZINC000160826899 463374824 /nfs/dbraw/zinc/37/48/24/463374824.db2.gz FGCPWLRCBVSWDS-QWHCGFSZSA-N 1 0 347.850 2.483 20 70 EEIDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(C(=O)NC2CC2)cc1 ZINC000160927751 463382416 /nfs/dbraw/zinc/38/24/16/463382416.db2.gz PJUYCBTWGUBXPV-HUUCEWRRSA-N 1 0 343.471 2.429 20 70 EEIDRO CC(=O)N1CC[C@@H](C[N@@H+](C)CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000161024643 463391532 /nfs/dbraw/zinc/39/15/32/463391532.db2.gz AWJSPBCCOIAOQP-KRWDZBQOSA-N 1 0 337.508 2.071 20 70 EEIDRO CC[NH2+]CC1CCN(C(=O)[C@@H]2CCCN(C(=O)[C@H](C)CC)C2)CC1 ZINC000161025649 463391720 /nfs/dbraw/zinc/39/17/20/463391720.db2.gz ZEUBFMUSJXUXNU-NVXWUHKLSA-N 1 0 337.508 2.119 20 70 EEIDRO CC[C@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)C1CCCCC1 ZINC000161035857 463392579 /nfs/dbraw/zinc/39/25/79/463392579.db2.gz WBOPMMDZTOLNBF-KRWDZBQOSA-N 1 0 331.460 2.350 20 70 EEIDRO C[NH+](C)CCN(Cc1ccco1)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000161040482 463394535 /nfs/dbraw/zinc/39/45/35/463394535.db2.gz GPVBGJVGXDPLMW-BBWFWOEESA-N 1 0 347.459 2.310 20 70 EEIDRO CCN(CC(=O)Nc1c(C)cccc1C)C(=O)c1ccc(C[NH3+])o1 ZINC000161059945 463396263 /nfs/dbraw/zinc/39/62/63/463396263.db2.gz BXZYVTFSNTVQDO-UHFFFAOYSA-N 1 0 329.400 2.456 20 70 EEIDRO CC(C)CC(=O)NCCC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000161182106 463407662 /nfs/dbraw/zinc/40/76/62/463407662.db2.gz XTEPJXPRWJZGKH-MRXNPFEDSA-N 1 0 337.439 2.097 20 70 EEIDRO COCCOc1cccc(CC(=O)NC2CC[NH+](CC(C)C)CC2)c1 ZINC000161192072 463409309 /nfs/dbraw/zinc/40/93/09/463409309.db2.gz RMVJFTWXMHXNRL-UHFFFAOYSA-N 1 0 348.487 2.491 20 70 EEIDRO CSCc1nc2ccccc2n1CC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161212310 463410989 /nfs/dbraw/zinc/41/09/89/463410989.db2.gz UMVJLMDUDJTZKN-QWHCGFSZSA-N 1 0 332.473 2.285 20 70 EEIDRO CCCCC[C@@H](C)NC(=O)CN1CCN(Cc2ccncc2)CC1 ZINC000161230487 463412019 /nfs/dbraw/zinc/41/20/19/463412019.db2.gz CWHYCIJBPXCMKN-QGZVFWFLSA-N 1 0 332.492 2.284 20 70 EEIDRO CC[C@H](C)[C@H](O)CNC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000161250388 463413819 /nfs/dbraw/zinc/41/38/19/463413819.db2.gz RYKILAJHCAYVOY-RLFYNMQTSA-N 1 0 348.491 2.313 20 70 EEIDRO C[NH2+]C[C@@H]1CCCN1C(=O)CCCc1nc(-c2cccs2)no1 ZINC000161371035 463425601 /nfs/dbraw/zinc/42/56/01/463425601.db2.gz YFGQWGKIZXKDJA-LBPRGKRZSA-N 1 0 334.445 2.331 20 70 EEIDRO O=C(Nc1nnc(Cc2cccc(Cl)c2)s1)[C@@]1(F)CC[NH2+]C1 ZINC000161394896 463427570 /nfs/dbraw/zinc/42/75/70/463427570.db2.gz SVLIQWIJGPLHTC-CQSZACIVSA-N 1 0 340.811 2.422 20 70 EEIDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)c1cccc(=O)n1C ZINC000161503609 463434553 /nfs/dbraw/zinc/43/45/53/463434553.db2.gz NJBAJZUZYDIPCP-UHFFFAOYSA-N 1 0 341.455 2.370 20 70 EEIDRO O=C(/C=C/c1cc2ccccc2o1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160075260 534772751 /nfs/dbraw/zinc/77/27/51/534772751.db2.gz PMOQSMSBHBARNC-ROJDOSBLSA-N 1 0 328.412 2.409 20 70 EEIDRO CCC(CC)(C[NH2+]CC(=O)Nc1cc(C(C)(C)C)no1)C(=O)OC ZINC000159676145 528691557 /nfs/dbraw/zinc/69/15/57/528691557.db2.gz GJBGEAPXIGPPHF-UHFFFAOYSA-N 1 0 339.436 2.480 20 70 EEIDRO Cc1ccc(NC(=O)N[C@H](C)[C@H]2CN(C)CCO2)cc1OC(F)F ZINC000159797216 539518479 /nfs/dbraw/zinc/51/84/79/539518479.db2.gz IZVUQGRWOCPLKI-BXUZGUMPSA-N 1 0 343.374 2.437 20 70 EEIDRO C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161399293 539527615 /nfs/dbraw/zinc/52/76/15/539527615.db2.gz YAGDTXCTUWEOGB-BRWVUGGUSA-N 1 0 330.476 2.097 20 70 EEIDRO CC1CC[NH+](C2CCC(NC(=O)CCN3CCCC3=O)CC2)CC1 ZINC000161474919 539528011 /nfs/dbraw/zinc/52/80/11/539528011.db2.gz OGKVKEHTSILOJA-UHFFFAOYSA-N 1 0 335.492 2.158 20 70 EEIDRO Cc1c(C(=O)NC(C)(C)c2cccc(C)c2)nnn1C1CC[NH2+]CC1 ZINC000159644035 206256813 /nfs/dbraw/zinc/25/68/13/206256813.db2.gz PTYIBITXFZTBSI-UHFFFAOYSA-N 1 0 341.459 2.485 20 70 EEIDRO C[C@@H](O)C[N@H+](C)[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O ZINC000159537813 206251178 /nfs/dbraw/zinc/25/11/78/206251178.db2.gz AVXSQNVGLWQDEX-ZWNOBZJWSA-N 1 0 332.322 2.003 20 70 EEIDRO O=C(CCc1nc(-c2ccoc2)no1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159748536 206260489 /nfs/dbraw/zinc/26/04/89/206260489.db2.gz LAGXUIVYMWTMSW-UHFFFAOYSA-N 1 0 344.415 2.253 20 70 EEIDRO CCc1ccc([C@@H](CNC(=O)N2CCC[C@@](C)(O)C2)[NH+](C)C)cc1 ZINC000159865730 206266232 /nfs/dbraw/zinc/26/62/32/206266232.db2.gz ZRGMWKFTEJCZAX-IEBWSBKVSA-N 1 0 333.476 2.408 20 70 EEIDRO CC1CC[NH+](CCNC(=O)c2cc(=O)[nH]c3cc(F)ccc32)CC1 ZINC000159879687 206268419 /nfs/dbraw/zinc/26/84/19/206268419.db2.gz MDWJXPCNEXRALJ-UHFFFAOYSA-N 1 0 331.391 2.129 20 70 EEIDRO O=C(C[N@H+]1CCCC[C@@H]1CO)NCc1ccc(F)cc1C(F)(F)F ZINC000159872440 206268445 /nfs/dbraw/zinc/26/84/45/206268445.db2.gz CGXKJCOVLVEMSX-CYBMUJFWSA-N 1 0 348.340 2.308 20 70 EEIDRO CC(C)(C)Oc1ccc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000159989831 206275342 /nfs/dbraw/zinc/27/53/42/206275342.db2.gz NVDMQKFBMZZTEY-MRXNPFEDSA-N 1 0 334.460 2.441 20 70 EEIDRO Cc1ccc2[nH]c(C(=O)NC[C@@H](O)C[NH+]3CCCCC3)cc2c1C ZINC000160035820 206276765 /nfs/dbraw/zinc/27/67/65/206276765.db2.gz IEDFMMAWQLWUCA-OAHLLOKOSA-N 1 0 329.444 2.361 20 70 EEIDRO COc1cc(CNC(=O)N2CCC(CCC[NH+](C)C)CC2)ccn1 ZINC000160126319 206280995 /nfs/dbraw/zinc/28/09/95/206280995.db2.gz ALMMQICAQMXEHA-UHFFFAOYSA-N 1 0 334.464 2.354 20 70 EEIDRO CN(C(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1)c1ccc2c(c1)OCO2 ZINC000160522685 206301975 /nfs/dbraw/zinc/30/19/75/206301975.db2.gz PGLFBYMSCWCUHU-HNNXBMFYSA-N 1 0 332.400 2.022 20 70 EEIDRO CC[C@@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)c1ccc(C)cc1 ZINC000160961175 206321248 /nfs/dbraw/zinc/32/12/48/206321248.db2.gz NCYRYEZSKBEWPS-GOSISDBHSA-N 1 0 339.439 2.451 20 70 EEIDRO Cn1c(=O)cccc1C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000160975972 206321637 /nfs/dbraw/zinc/32/16/37/206321637.db2.gz FEQVDOQVJCZWRF-UHFFFAOYSA-N 1 0 325.412 2.276 20 70 EEIDRO NC(=O)CNC(=O)c1ccc(C[NH2+][C@H]2CCCc3sccc32)cc1 ZINC000161009147 206324001 /nfs/dbraw/zinc/32/40/01/206324001.db2.gz RDYAYHCBQPJNPT-HNNXBMFYSA-N 1 0 343.452 2.130 20 70 EEIDRO C[C@H](NC(=O)N1CCC([N@H+](C)CCO)CC1)c1ccc(F)cc1F ZINC000161106440 206327881 /nfs/dbraw/zinc/32/78/81/206327881.db2.gz RAWGKMKVVDQUNK-LBPRGKRZSA-N 1 0 341.402 2.124 20 70 EEIDRO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000160352297 533295176 /nfs/dbraw/zinc/29/51/76/533295176.db2.gz BMRGERFCUZFNKY-NXEZZACHSA-N 1 0 344.242 2.061 20 70 EEIDRO CCC1(CC)[C@H]([NH2+][C@@H]2CCN(c3cc(C)nn3C)C2=O)C[C@@H]1OC ZINC000160122019 143807313 /nfs/dbraw/zinc/80/73/13/143807313.db2.gz HKHFOVFHUAVPGX-KFWWJZLASA-N 1 0 334.464 2.017 20 70 EEIDRO Cc1cc(C(=O)NC[C@@H]2CC[N@@H+](C)C2)nn1-c1ccc(F)cc1F ZINC000160110858 225340554 /nfs/dbraw/zinc/34/05/54/225340554.db2.gz DEDIGEMOKHBNLA-LBPRGKRZSA-N 1 0 334.370 2.140 20 70 EEIDRO Cc1nc(CC(=O)N(C)CC(C)(C)CN2CCOCC2)c(C)s1 ZINC000159754895 311345622 /nfs/dbraw/zinc/34/56/22/311345622.db2.gz ULNDMXOJBBATHX-UHFFFAOYSA-N 1 0 339.505 2.119 20 70 EEIDRO C[N@@H+]1CCC[C@H](CNC(=O)NCCOc2ccccc2Cl)C1 ZINC000159800656 311346548 /nfs/dbraw/zinc/34/65/48/311346548.db2.gz PHUKILFDYLPUQJ-CYBMUJFWSA-N 1 0 325.840 2.360 20 70 EEIDRO Cc1cccc(C)c1CCNC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000160079756 311349802 /nfs/dbraw/zinc/34/98/02/311349802.db2.gz OQSCKCLNRBZFPS-UHFFFAOYSA-N 1 0 346.519 2.173 20 70 EEIDRO Cc1cccc(-n2cc(C(=O)NC[C@H](C)C[NH+]3CCCC3)nn2)c1 ZINC000160611324 311356423 /nfs/dbraw/zinc/35/64/23/311356423.db2.gz WRONQJSBKRSZRD-HNNXBMFYSA-N 1 0 327.432 2.037 20 70 EEIDRO COc1cccc(COCCNC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000160615753 311356449 /nfs/dbraw/zinc/35/64/49/311356449.db2.gz LXBGDMVDLVGCST-KRWDZBQOSA-N 1 0 349.475 2.195 20 70 EEIDRO CC(C)[NH2+]CCC(=O)NCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000159650805 463297686 /nfs/dbraw/zinc/29/76/86/463297686.db2.gz QZTFMPQRNHENFD-UHFFFAOYSA-N 1 0 336.823 2.437 20 70 EEIDRO C[C@H]1CCC[C@](CNC(=O)c2cnc3c(c2)ncn3C)([NH+](C)C)C1 ZINC000159720927 463301654 /nfs/dbraw/zinc/30/16/54/463301654.db2.gz BZQJLQZDLHQNKA-UGSOOPFHSA-N 1 0 329.448 2.209 20 70 EEIDRO C[N@H+](CCNC(=O)Nc1ccc(C(C)(C)C(N)=O)cc1)C1CCCC1 ZINC000159874200 463308737 /nfs/dbraw/zinc/30/87/37/463308737.db2.gz AMLADORSUUSQPN-UHFFFAOYSA-N 1 0 346.475 2.445 20 70 EEIDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000160367444 463331619 /nfs/dbraw/zinc/33/16/19/463331619.db2.gz KLTFLLWUHJNCET-WMZOPIPTSA-N 1 0 346.475 2.112 20 70 EEIDRO Cc1cc2[nH]c(C(=O)NCC3CC[NH+](CCO)CC3)cc2c(C)c1 ZINC000160716613 463364644 /nfs/dbraw/zinc/36/46/44/463364644.db2.gz HCXKOTZJFGQMIA-UHFFFAOYSA-N 1 0 329.444 2.219 20 70 EEIDRO C[C@H](NC(=O)N[C@H]1CC[N@H+](CC2CC2)C1)c1ccc(NC(N)=O)cc1 ZINC000160752518 463367737 /nfs/dbraw/zinc/36/77/37/463367737.db2.gz PRZXIKHLWKAGJX-LRDDRELGSA-N 1 0 345.447 2.022 20 70 EEIDRO CCOC(=O)NCCCC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000160954642 463385259 /nfs/dbraw/zinc/38/52/59/463385259.db2.gz IYFBYXQQRURASS-UHFFFAOYSA-N 1 0 325.453 2.036 20 70 EEIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2ccc(I)cc2)C1 ZINC000160965836 463386058 /nfs/dbraw/zinc/38/60/58/463386058.db2.gz ZXTGAGWDWNJLFB-RYUDHWBXSA-N 1 0 344.196 2.291 20 70 EEIDRO CC(C)[C@@H](O)CCNC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000161187395 463408844 /nfs/dbraw/zinc/40/88/44/463408844.db2.gz NWWFCJVJMUIJPP-YJBOKZPZSA-N 1 0 348.491 2.313 20 70 EEIDRO COCC(C)(C)NC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000161209797 463410870 /nfs/dbraw/zinc/41/08/70/463410870.db2.gz GPVHFZKKVIAZGV-CQSZACIVSA-N 1 0 334.464 2.331 20 70 EEIDRO COc1ccc(Br)c(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000161390367 463428085 /nfs/dbraw/zinc/42/80/85/463428085.db2.gz DSIFKKJPEVAWAK-ZJUUUORDSA-N 1 0 327.222 2.457 20 70 EEIDRO C[NH+](C)CCCNC(=O)NCCc1cccc(Br)c1 ZINC000217487922 485531191 /nfs/dbraw/zinc/53/11/91/485531191.db2.gz JSZBCLYOODVKTO-UHFFFAOYSA-N 1 0 328.254 2.243 20 70 EEIDRO Cc1ccc(S[C@H](C)C(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000160071712 534217400 /nfs/dbraw/zinc/21/74/00/534217400.db2.gz ALKTZBYDNSLBEX-CVEARBPZSA-N 1 0 336.501 2.439 20 70 EEIDRO CC(C)c1nc(C(=O)N2CC[NH2+]CC2)nn1-c1ccccc1Cl ZINC000159404711 206244249 /nfs/dbraw/zinc/24/42/49/206244249.db2.gz LRKODFKBUFHANI-UHFFFAOYSA-N 1 0 333.823 2.090 20 70 EEIDRO CCC(=O)N1CC[C@@H](C(=O)NCc2cccc(C[N@@H+](C)CC)c2)C1 ZINC000159611149 206254475 /nfs/dbraw/zinc/25/44/75/206254475.db2.gz FUVXTDDDIUPTHR-QGZVFWFLSA-N 1 0 331.460 2.013 20 70 EEIDRO Cc1ccc(C[N@@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)cc1F ZINC000159458658 206247262 /nfs/dbraw/zinc/24/72/62/206247262.db2.gz CYLXIFJZOONFEL-OAHLLOKOSA-N 1 0 328.453 2.428 20 70 EEIDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCC(C)(CO)CC1 ZINC000159975555 206272849 /nfs/dbraw/zinc/27/28/49/206272849.db2.gz KUMKVBSWSBNNSZ-WMZOPIPTSA-N 1 0 345.487 2.311 20 70 EEIDRO C[C@]1(O)CCCN(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000160243887 206286978 /nfs/dbraw/zinc/28/69/78/206286978.db2.gz FVILLHRAAKXFKS-IBGZPJMESA-N 1 0 331.460 2.339 20 70 EEIDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1nnc(Cl)cc1C(N)=O ZINC000160238548 206285945 /nfs/dbraw/zinc/28/59/45/206285945.db2.gz SPKYLMBXURVJKH-RISCZKNCSA-N 1 0 345.834 2.161 20 70 EEIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)C1(c2ccc(Cl)cc2)CC1 ZINC000160334253 206291611 /nfs/dbraw/zinc/29/16/11/206291611.db2.gz RBWDBPORRRRSLC-MRXNPFEDSA-N 1 0 336.863 2.335 20 70 EEIDRO CC[C@@H](C(=O)N1CCC(C(=O)Nc2ccc(F)cc2)CC1)[NH+](C)C ZINC000160429311 206297625 /nfs/dbraw/zinc/29/76/25/206297625.db2.gz SMESHNBRVDUXGY-INIZCTEOSA-N 1 0 335.423 2.343 20 70 EEIDRO COCC[N@H+](C)CCNC(=O)[C@H](C)c1ccc(Br)cc1 ZINC000160471083 206299194 /nfs/dbraw/zinc/29/91/94/206299194.db2.gz LJHROGLMZMTBRU-GFCCVEGCSA-N 1 0 343.265 2.247 20 70 EEIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(N3CCCC3=O)cc1)CC2 ZINC000160528782 206301909 /nfs/dbraw/zinc/30/19/09/206301909.db2.gz WTWVTJBBJKBRDC-CZUORRHYSA-N 1 0 339.443 2.379 20 70 EEIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(N3CCCC3=O)cc1)CC2 ZINC000160528645 206302537 /nfs/dbraw/zinc/30/25/37/206302537.db2.gz WTWVTJBBJKBRDC-BBRMVZONSA-N 1 0 339.443 2.379 20 70 EEIDRO CC(=O)NC1CCC([NH2+]C[C@@H](C)N2CCc3ccccc3C2)CC1 ZINC000161389951 206346655 /nfs/dbraw/zinc/34/66/55/206346655.db2.gz XUACEKSEVRSHFI-APMMTJHUSA-N 1 0 329.488 2.470 20 70 EEIDRO COC(=O)c1ccc2[nH]cc(C(=O)C[N@H+](C)C[C@@H]3CCOC3)c2c1 ZINC000161426482 206347581 /nfs/dbraw/zinc/34/75/81/206347581.db2.gz BDORHVFIPKCNGL-LBPRGKRZSA-N 1 0 330.384 2.106 20 70 EEIDRO COCCN(CC[NH+](C)C)C(=O)N[C@H]1CCO[C@H](c2ccccc2)C1 ZINC000160808250 277509242 /nfs/dbraw/zinc/50/92/42/277509242.db2.gz AEWZCHFJDLQNRW-ROUUACIJSA-N 1 0 349.475 2.126 20 70 EEIDRO CC(=O)NC1CCC([NH2+]C[C@H](C)N2CCc3ccccc3C2)CC1 ZINC000161389827 278088734 /nfs/dbraw/zinc/08/87/34/278088734.db2.gz XUACEKSEVRSHFI-VMEOHVCESA-N 1 0 329.488 2.470 20 70 EEIDRO CC(=O)NC1CCC([NH2+][C@H](CN2CCCC2=O)c2ccccc2)CC1 ZINC000161305509 278089491 /nfs/dbraw/zinc/08/94/91/278089491.db2.gz RUCAJVTWJGSMFB-CTWPCTMYSA-N 1 0 343.471 2.387 20 70 EEIDRO CCc1ccc([C@H](CO)NC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000159517306 311342514 /nfs/dbraw/zinc/34/25/14/311342514.db2.gz WZSQPJMKMGVDEB-BZSNNMDCSA-N 1 0 333.476 2.454 20 70 EEIDRO Cc1cc(C)cc(OCCN(C)C(=O)C[N@H+](C)C[C@@H]2CCC[C@@H]2O)c1 ZINC000159638882 311343639 /nfs/dbraw/zinc/34/36/39/311343639.db2.gz ZBEVVVNTLILSJA-HKUYNNGSSA-N 1 0 348.487 2.233 20 70 EEIDRO C[C@H]1C[C@H](NC(=O)N2CCOC(C)(C)C2)C[N@@H+]1Cc1ccccc1 ZINC000159974206 311348920 /nfs/dbraw/zinc/34/89/20/311348920.db2.gz MKVUYKDNVIGPGE-RDJZCZTQSA-N 1 0 331.460 2.470 20 70 EEIDRO C[C@@H](CNC(=O)N(C)CCC(=O)OC(C)(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000160268029 311352145 /nfs/dbraw/zinc/35/21/45/311352145.db2.gz XJYZRSOZVHXSRI-CABCVRRESA-N 1 0 341.496 2.480 20 70 EEIDRO O=C(CCC1CCOCC1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160447611 311354251 /nfs/dbraw/zinc/35/42/51/311354251.db2.gz CQPUCXVQBFNHDH-ZWKOTPCHSA-N 1 0 338.492 2.077 20 70 EEIDRO CC(=O)NCCC[NH2+][C@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000160442951 311354347 /nfs/dbraw/zinc/35/43/47/311354347.db2.gz VUXUXNFPMAQTKH-UKRRQHHQSA-N 1 0 327.469 2.280 20 70 EEIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CCNC(=O)C1CCCCC1 ZINC000160494941 311354541 /nfs/dbraw/zinc/35/45/41/311354541.db2.gz SOUQWBAGMWELFM-QGZVFWFLSA-N 1 0 337.508 2.310 20 70 EEIDRO CCCCS(=O)(=O)Nc1ccc(NC(=O)[C@H]2CCCC[NH2+]2)cc1 ZINC000160660140 311357059 /nfs/dbraw/zinc/35/70/59/311357059.db2.gz DSILEVJPHVKVSI-OAHLLOKOSA-N 1 0 339.461 2.309 20 70 EEIDRO CCCC[C@@H](NCc1c(C)nn(C)c1OC)C(=O)Nc1cc(C)on1 ZINC000159745692 463302945 /nfs/dbraw/zinc/30/29/45/463302945.db2.gz FDPYFKUUMRSJLA-CQSZACIVSA-N 1 0 349.435 2.321 20 70 EEIDRO CCC[NH+]1CCC(N(C)C(=O)NCCCC(=O)OC(C)C)CC1 ZINC000160035698 463315961 /nfs/dbraw/zinc/31/59/61/463315961.db2.gz DTNAIDBSYHSOFK-UHFFFAOYSA-N 1 0 327.469 2.234 20 70 EEIDRO COCC[C@H](C)[NH2+]CCN1CCN(c2cccc(Cl)c2)CC1 ZINC000160293335 463327053 /nfs/dbraw/zinc/32/70/53/463327053.db2.gz LLWGICDIRWCLJN-HNNXBMFYSA-N 1 0 325.884 2.477 20 70 EEIDRO CCCCn1ncc(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1C ZINC000161405831 463429266 /nfs/dbraw/zinc/42/92/66/463429266.db2.gz BNPRSNUZKYYJDS-HUUCEWRRSA-N 1 0 336.480 2.221 20 70 EEIDRO COc1ccc(C)cc1[C@H](C)NC(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000161462384 463431731 /nfs/dbraw/zinc/43/17/31/463431731.db2.gz WTOHXDLNIGOTKX-HNNXBMFYSA-N 1 0 349.475 2.163 20 70 EEIDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCC(C)(C)[C@H](O)C(C)C)C1 ZINC000159783491 539518928 /nfs/dbraw/zinc/51/89/28/539518928.db2.gz QDKNCPQEONBTTD-HZPDHXFCSA-N 1 0 327.513 2.307 20 70 EEIDRO CN(CCCCS(C)(=O)=O)CC(=O)Nc1cccc(Cl)c1 ZINC000161429020 539528442 /nfs/dbraw/zinc/52/84/42/539528442.db2.gz SIHUIKZBDQHVQJ-UHFFFAOYSA-N 1 0 332.853 2.035 20 70 EEIDRO C[C@H]1C[NH+](CCCCNc2ccc(S(C)(=O)=O)cc2)C[C@H](C)O1 ZINC000159421999 206245115 /nfs/dbraw/zinc/24/51/15/206245115.db2.gz JZCRXCDPRLWOSW-GJZGRUSLSA-N 1 0 340.489 2.391 20 70 EEIDRO COC(=O)c1ccc(NC(=O)[C@@H]2CCC[NH2+]C2)c(OC(F)F)c1 ZINC000159753858 206262271 /nfs/dbraw/zinc/26/22/71/206262271.db2.gz DRQAEKDFRCFTBZ-SNVBAGLBSA-N 1 0 328.315 2.013 20 70 EEIDRO COc1cc(C(=O)N2CCC([NH2+]CC3CC3)CC2)cc2c1OCCO2 ZINC000159870988 206268465 /nfs/dbraw/zinc/26/84/65/206268465.db2.gz ISCREPYJJCIOFE-UHFFFAOYSA-N 1 0 346.427 2.071 20 70 EEIDRO CS(=O)(=O)NCCC[NH2+]Cc1cc(C(F)(F)F)ccc1Cl ZINC000159922331 206270716 /nfs/dbraw/zinc/27/07/16/206270716.db2.gz SKEOKAAHLZNRBA-UHFFFAOYSA-N 1 0 344.786 2.388 20 70 EEIDRO COc1cc(F)c([C@H](C)NC(=O)[C@@H]([NH3+])CCSC)cc1OC ZINC000159966316 206273794 /nfs/dbraw/zinc/27/37/94/206273794.db2.gz DBXLHPZHLSNVAC-CABZTGNLSA-N 1 0 330.425 2.101 20 70 EEIDRO [NH3+]C[C@H]1CCCN1C(=O)c1csc(-c2ccc3c(c2)OCCO3)n1 ZINC000160220657 206285611 /nfs/dbraw/zinc/28/56/11/206285611.db2.gz GLNOLVUPIHOGSG-GFCCVEGCSA-N 1 0 345.424 2.145 20 70 EEIDRO COCC[N@H+](C)CCCNC(=O)CCc1c[nH]c2c1cccc2C ZINC000160433954 206297612 /nfs/dbraw/zinc/29/76/12/206297612.db2.gz XCXZCODGRGHSLE-UHFFFAOYSA-N 1 0 331.460 2.493 20 70 EEIDRO COCC[N@H+](C)CCCNC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000160432585 206298077 /nfs/dbraw/zinc/29/80/77/206298077.db2.gz LLRPUQCMVNGKAR-KGLIPLIRSA-N 1 0 326.387 2.153 20 70 EEIDRO CCCCCn1nc(C(=O)N2CC[C@H]([NH2+]C)C2)c2ccccc2c1=O ZINC000160471680 206299530 /nfs/dbraw/zinc/29/95/30/206299530.db2.gz NTSVOJRWXIDGOS-AWEZNQCLSA-N 1 0 342.443 2.021 20 70 EEIDRO C[C@H](Oc1cccc(Br)c1)C(=O)N1CCC[NH2+]CC1 ZINC000160860169 206316869 /nfs/dbraw/zinc/31/68/69/206316869.db2.gz ICWSMWOHKDBAQV-NSHDSACASA-N 1 0 327.222 2.038 20 70 EEIDRO Cc1cc([C@H](C)[NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)c(C)s1 ZINC000160960912 206321366 /nfs/dbraw/zinc/32/13/66/206321366.db2.gz YRWAUYBDXQQDDW-LBPRGKRZSA-N 1 0 345.468 2.431 20 70 EEIDRO Cn1cnc(-c2ccc(NC(=O)N3CC[NH+](CC4CC4)CC3)cc2)n1 ZINC000161328634 206341797 /nfs/dbraw/zinc/34/17/97/206341797.db2.gz WQZVSDZXAREDCN-UHFFFAOYSA-N 1 0 340.431 2.042 20 70 EEIDRO CC(C)[C@H](CCO)NC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000161355504 206343560 /nfs/dbraw/zinc/34/35/60/206343560.db2.gz UAMKRFWADCXGOT-QAPCUYQASA-N 1 0 348.491 2.313 20 70 EEIDRO Cc1[nH]c(=O)ccc1C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000161390567 206346771 /nfs/dbraw/zinc/34/67/71/206346771.db2.gz JGQUPXYOHQCXOW-KRWDZBQOSA-N 1 0 339.439 2.390 20 70 EEIDRO CC(=O)NC1CCC([NH2+]CCNC(=O)c2ccccc2Cl)CC1 ZINC000161483306 206351922 /nfs/dbraw/zinc/35/19/22/206351922.db2.gz VXUPDPRIICIFCQ-UHFFFAOYSA-N 1 0 337.851 2.107 20 70 EEIDRO C[C@@H](NC(=O)c1cccc2[nH]cnc21)C1([NH+]2CCOCC2)CCCC1 ZINC000159703261 287001483 /nfs/dbraw/zinc/00/14/83/287001483.db2.gz XXBVBWJHQOHECX-CQSZACIVSA-N 1 0 342.443 2.326 20 70 EEIDRO C[C@H]1CCC[C@@](CNC(=O)c2cnc3c(c2)ncn3C)([NH+](C)C)C1 ZINC000159720663 279683358 /nfs/dbraw/zinc/68/33/58/279683358.db2.gz BZQJLQZDLHQNKA-SCLBCKFNSA-N 1 0 329.448 2.209 20 70 EEIDRO CC(C)c1ccc(OCCNC(=O)C[N@H+](C)C[C@@H]2CCC[C@@H]2O)cc1 ZINC000159479724 311342132 /nfs/dbraw/zinc/34/21/32/311342132.db2.gz ZUPIKPOAYHMBON-HKUYNNGSSA-N 1 0 348.487 2.398 20 70 EEIDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCC1(O)CCCC1 ZINC000159935450 311347783 /nfs/dbraw/zinc/34/77/83/311347783.db2.gz ZGEZDCLNGGOVLU-RDJZCZTQSA-N 1 0 331.460 2.111 20 70 EEIDRO C[C@@H]1C[C@H](NC(=O)N2CCOC(C)(C)C2)C[N@@H+]1Cc1ccccc1 ZINC000159974068 311348991 /nfs/dbraw/zinc/34/89/91/311348991.db2.gz MKVUYKDNVIGPGE-WBVHZDCISA-N 1 0 331.460 2.470 20 70 EEIDRO CC(C)[C@H](CNC(=O)N1CCC[C@@](C)(O)C1)[NH+]1CCC(C)CC1 ZINC000160283815 311352218 /nfs/dbraw/zinc/35/22/18/311352218.db2.gz IAOSMBAIDUUBJT-FUHWJXTLSA-N 1 0 325.497 2.299 20 70 EEIDRO CC(=O)CCC(C)(C)C(=O)NC[C@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000160496610 311354766 /nfs/dbraw/zinc/35/47/66/311354766.db2.gz UYJNHFCKUYZFQE-MSOLQXFVSA-N 1 0 346.471 2.133 20 70 EEIDRO Cc1ccc(C)c([C@@H](C)[NH2+]CCCC[NH+]2CCN(CCO)CC2)c1 ZINC000160925268 311360152 /nfs/dbraw/zinc/36/01/52/311360152.db2.gz CUYLTIIEIFLCOS-LJQANCHMSA-N 1 0 333.520 2.344 20 70 EEIDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccnn1C[C@@H]1CCOC1 ZINC000159452729 463287292 /nfs/dbraw/zinc/28/72/92/463287292.db2.gz RALUVTYYGZUESD-XHSDSOJGSA-N 1 0 347.463 2.010 20 70 EEIDRO CO[C@]1(C[NH2+]Cc2cc(Br)cc3c2OCC3)CCOC1 ZINC000159574621 463293685 /nfs/dbraw/zinc/29/36/85/463293685.db2.gz XQHHTVIZOITJDG-HNNXBMFYSA-N 1 0 342.233 2.279 20 70 EEIDRO CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159782457 463304983 /nfs/dbraw/zinc/30/49/83/463304983.db2.gz RFWKMCGGJALBCI-QGZVFWFLSA-N 1 0 349.519 2.404 20 70 EEIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@@H]1C[C@@H]1c1ccccc1Cl ZINC000160600907 463354299 /nfs/dbraw/zinc/35/42/99/463354299.db2.gz PTOHNGIHJPRMHK-NUEKZKHPSA-N 1 0 336.863 2.407 20 70 EEIDRO Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161120765 463402377 /nfs/dbraw/zinc/40/23/77/463402377.db2.gz UPEWNBQIZKITEH-LSDHHAIUSA-N 1 0 340.427 2.058 20 70 EEIDRO CSCc1nc2ccccc2n1CC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000161212675 463410905 /nfs/dbraw/zinc/41/09/05/463410905.db2.gz UMVJLMDUDJTZKN-OLZOCXBDSA-N 1 0 332.473 2.285 20 70 EEIDRO CCC(CC)(C[NH3+])C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000161239979 463412670 /nfs/dbraw/zinc/41/26/70/463412670.db2.gz VHLPDECOZDAJCF-CQSZACIVSA-N 1 0 337.851 2.327 20 70 EEIDRO c1cc2c(cc1C[N@@H+]1CCC[C@@H](c3nnc4n3CCC4)C1)OCCO2 ZINC000161431351 463429929 /nfs/dbraw/zinc/42/99/29/463429929.db2.gz GDMHPIMJHGZBNQ-OAHLLOKOSA-N 1 0 340.427 2.375 20 70 EEIDRO COc1cc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc(OC)c1OC(F)F ZINC000161451070 463430934 /nfs/dbraw/zinc/43/09/34/463430934.db2.gz OXZXEASPRMYBDZ-WDEREUQCSA-N 1 0 344.358 2.305 20 70 EEIDRO CC[NH2+]CC1CCN(C(=O)[C@H](CC(C)C)N2CCCCC2=O)CC1 ZINC000161130230 528287936 /nfs/dbraw/zinc/28/79/36/528287936.db2.gz AKRFUBIOGHAAMX-KRWDZBQOSA-N 1 0 337.508 2.262 20 70 EEIDRO Cc1ccc(CSCC(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000159977246 237226249 /nfs/dbraw/zinc/22/62/49/237226249.db2.gz VZLKIHJPMMTIME-QGZVFWFLSA-N 1 0 336.501 2.191 20 70 EEIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccc2[nH]cnc2c1 ZINC000159448397 206246552 /nfs/dbraw/zinc/24/65/52/206246552.db2.gz OWSRAPWKAATBMA-ZWKOTPCHSA-N 1 0 342.443 2.061 20 70 EEIDRO C[C@H]([NH2+]CCCN1CCCC1=O)c1ccc(N2CCCC2=O)cc1 ZINC000159565268 206252051 /nfs/dbraw/zinc/25/20/51/206252051.db2.gz KZGFRMAWIGCCOP-HNNXBMFYSA-N 1 0 329.444 2.477 20 70 EEIDRO CC[NH+]1CCC(NC(=O)NCc2cccc(OCCCOC)c2)CC1 ZINC000159573274 206253722 /nfs/dbraw/zinc/25/37/22/206253722.db2.gz NOMCCAPYSNJXQD-UHFFFAOYSA-N 1 0 349.475 2.385 20 70 EEIDRO CCN(CC)C(=O)C[C@H](C)[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000160147118 284495963 /nfs/dbraw/zinc/49/59/63/284495963.db2.gz RPULQHCDDUXSGQ-UONOGXRCSA-N 1 0 340.489 2.388 20 70 EEIDRO C[C@@H](O)C[C@H](C)CNC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000159927087 206272329 /nfs/dbraw/zinc/27/23/29/206272329.db2.gz DYNYOTOLHMPRNQ-CUSZFKRNSA-N 1 0 333.476 2.213 20 70 EEIDRO C[C@H]([NH2+][C@@H](C)C1CC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000160112710 206280731 /nfs/dbraw/zinc/28/07/31/206280731.db2.gz XILZOVIFFHBOAM-KBPBESRZSA-N 1 0 338.473 2.157 20 70 EEIDRO COc1ccc(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)nn1 ZINC000160310445 206289586 /nfs/dbraw/zinc/28/95/86/206289586.db2.gz RUJPZDYHJRNQIJ-CABCVRRESA-N 1 0 332.448 2.212 20 70 EEIDRO C[NH+](C)CCN(Cc1ccco1)C(=O)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000160338083 206290910 /nfs/dbraw/zinc/29/09/10/206290910.db2.gz GJEDLKFBYBLLQR-RDJZCZTQSA-N 1 0 335.448 2.310 20 70 EEIDRO C[C@@H](CCc1cccc(F)c1)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160414186 206295476 /nfs/dbraw/zinc/29/54/76/206295476.db2.gz ORPSZGZHCANJEH-MAUKXSAKSA-N 1 0 336.451 2.357 20 70 EEIDRO CC1=C(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CCCO1 ZINC000160379486 206294616 /nfs/dbraw/zinc/29/46/16/206294616.db2.gz XGQCHQOSQHMMLC-UHFFFAOYSA-N 1 0 343.471 2.005 20 70 EEIDRO COCC[N@H+](C)CCCNC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000160432441 206297129 /nfs/dbraw/zinc/29/71/29/206297129.db2.gz LLRPUQCMVNGKAR-ZIAGYGMSSA-N 1 0 326.387 2.153 20 70 EEIDRO C[NH2+][C@H]1CCN(C(=O)c2cccc(-n3ccc(C(F)(F)F)n3)c2)C1 ZINC000160772503 206313224 /nfs/dbraw/zinc/31/32/24/206313224.db2.gz BLHPCIBVZUUZRO-LBPRGKRZSA-N 1 0 338.333 2.325 20 70 EEIDRO C[C@@H]1CN(c2ccc(C[NH2+]C3CCC4(CC3)OCCO4)cn2)CCO1 ZINC000161023655 206323654 /nfs/dbraw/zinc/32/36/54/206323654.db2.gz YNHQCIFTEIDZAU-OAHLLOKOSA-N 1 0 347.459 2.082 20 70 EEIDRO [NH3+]CCCC(=O)Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1 ZINC000161008646 206323780 /nfs/dbraw/zinc/32/37/80/206323780.db2.gz QWZFDTUGEOTVIJ-UHFFFAOYSA-N 1 0 346.452 2.479 20 70 EEIDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cccc(N3CCCNC3=O)c2)C1 ZINC000161104266 206328301 /nfs/dbraw/zinc/32/83/01/206328301.db2.gz MHOFQLOBIVQYNA-PBHICJAKSA-N 1 0 344.459 2.065 20 70 EEIDRO C[NH2+]C[C@H](C)C(=O)NC[C@H](C)Oc1ccccc1Br ZINC000161142295 206331151 /nfs/dbraw/zinc/33/11/51/206331151.db2.gz AQISXMUBMGQLOI-QWRGUYRKSA-N 1 0 329.238 2.188 20 70 EEIDRO Cc1ccc(S(=O)(=O)N(C)[C@@H](C[NH3+])C2CC2)c(Br)c1 ZINC000159967879 143805304 /nfs/dbraw/zinc/80/53/04/143805304.db2.gz PSAHOCWBUQKQES-LBPRGKRZSA-N 1 0 347.278 2.115 20 70 EEIDRO C[NH2+][C@@H]1CCN(C(=O)CCc2ncc(-c3ccc(OC)cc3)o2)C1 ZINC000160463448 273985786 /nfs/dbraw/zinc/98/57/86/273985786.db2.gz DQFCMGLRKPECOQ-CQSZACIVSA-N 1 0 329.400 2.103 20 70 EEIDRO CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@H]1CCN(C2CC2)C1=O ZINC000160060832 311349632 /nfs/dbraw/zinc/34/96/32/311349632.db2.gz SVYFITODROYVOQ-SFHVURJKSA-N 1 0 342.487 2.383 20 70 EEIDRO CC(C)[C@H](CNC(=O)N1CCC[C@](C)(O)C1)[NH+]1CCC(C)CC1 ZINC000160284086 311352342 /nfs/dbraw/zinc/35/23/42/311352342.db2.gz IAOSMBAIDUUBJT-WMZOPIPTSA-N 1 0 325.497 2.299 20 70 EEIDRO CCC(CC)n1ncc(C(=O)NC2CC[NH+](CCOC)CC2)c1C ZINC000161181865 311363476 /nfs/dbraw/zinc/36/34/76/311363476.db2.gz OQHOWDMXGGJUKS-UHFFFAOYSA-N 1 0 336.480 2.393 20 70 EEIDRO CC[NH+](CC)CCCNC(=O)C1CCN(c2cc(C)ccn2)CC1 ZINC000161339284 311364774 /nfs/dbraw/zinc/36/47/74/311364774.db2.gz NZZZDLLRCCVPFW-UHFFFAOYSA-N 1 0 332.492 2.455 20 70 EEIDRO Cc1ccccc1OCCC[NH+]1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000159366198 463283220 /nfs/dbraw/zinc/28/32/20/463283220.db2.gz PDELGKFPSCJAFR-GOSISDBHSA-N 1 0 345.487 2.178 20 70 EEIDRO C[C@H]1CCC[C@H](C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C1 ZINC000159533257 463291100 /nfs/dbraw/zinc/29/11/00/463291100.db2.gz JMCUOKJRXKLXCL-RDJZCZTQSA-N 1 0 330.476 2.276 20 70 EEIDRO CC(C)CCn1ccc(NC(=O)N2CC[NH+](C3CCOCC3)CC2)n1 ZINC000159693878 463299858 /nfs/dbraw/zinc/29/98/58/463299858.db2.gz NQQRXCSOIOUTME-UHFFFAOYSA-N 1 0 349.479 2.258 20 70 EEIDRO CCOc1ccccc1OCC(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159769904 463304485 /nfs/dbraw/zinc/30/44/85/463304485.db2.gz MVPGHTWJQRPCGQ-UHFFFAOYSA-N 1 0 332.444 2.455 20 70 EEIDRO Cc1ccc(C(=O)N[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C(C)C)cc1 ZINC000160735821 463365876 /nfs/dbraw/zinc/36/58/76/463365876.db2.gz VIHGRACUDAIUDA-FGTMMUONSA-N 1 0 343.471 2.102 20 70 EEIDRO C[NH2+]C[C@H]1CCCN1C(=O)Cc1c(C)nn(-c2ccc(F)cc2)c1C ZINC000161280412 463415554 /nfs/dbraw/zinc/41/55/54/463415554.db2.gz BLXLXLCRVVFHCW-QGZVFWFLSA-N 1 0 344.434 2.381 20 70 EEIDRO CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@@H](C)c1ccc2c(c1)O[C@@H](CC)C(=O)N2 ZINC000161380696 463426596 /nfs/dbraw/zinc/42/65/96/463426596.db2.gz IGZIEOJIVJKMEC-KFYUAXIPSA-N 1 0 333.432 2.347 20 70 EEIDRO C[C@@H](NC(=O)NCC1(Cc2ccccc2)CC1)[C@H]1CN(C)CCO1 ZINC000159547356 539517097 /nfs/dbraw/zinc/51/70/97/539517097.db2.gz CUNRHCSFXYZHIG-NVXWUHKLSA-N 1 0 331.460 2.028 20 70 EEIDRO C[C@H](C[NH+]1CCCCC1)NC(=O)CCc1nc(-c2ccoc2)no1 ZINC000159751843 206260329 /nfs/dbraw/zinc/26/03/29/206260329.db2.gz LRXPUCYYHWYTCV-CYBMUJFWSA-N 1 0 332.404 2.253 20 70 EEIDRO C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000159832866 206265531 /nfs/dbraw/zinc/26/55/31/206265531.db2.gz DPWXYIIMRRJDJF-CYBMUJFWSA-N 1 0 334.464 2.197 20 70 EEIDRO C[C@@H](c1ccncc1)[NH+]1CCC(N[C@@H](C(N)=O)c2ccccc2)CC1 ZINC000159907520 206269478 /nfs/dbraw/zinc/26/94/78/206269478.db2.gz FDWQKFNXKLRMAB-HNAYVOBHSA-N 1 0 338.455 2.423 20 70 EEIDRO CC[N@@H+]1CCCN(C(=O)NC[C@@H](C)Oc2ccccc2OC)CC1 ZINC000159923419 206270610 /nfs/dbraw/zinc/27/06/10/206270610.db2.gz IAISDQNJBMGTIA-OAHLLOKOSA-N 1 0 335.448 2.200 20 70 EEIDRO Cc1cccc(OCCC(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1C ZINC000160021207 206276352 /nfs/dbraw/zinc/27/63/52/206276352.db2.gz MVYJSCUTICKXEH-QGZVFWFLSA-N 1 0 334.460 2.035 20 70 EEIDRO O=C(Cc1cccc(F)c1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160613996 206306627 /nfs/dbraw/zinc/30/66/27/206306627.db2.gz NDZOVFQJRXBODH-MSOLQXFVSA-N 1 0 334.435 2.252 20 70 EEIDRO CC(=O)NC1CCC(Nc2ccc(CC[NH+]3CCOCC3)cc2)CC1 ZINC000161097776 206328570 /nfs/dbraw/zinc/32/85/70/206328570.db2.gz OVLUIUMZLUTJSR-UHFFFAOYSA-N 1 0 345.487 2.421 20 70 EEIDRO Cn1cc(Cl)cc1C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160608660 206305788 /nfs/dbraw/zinc/30/57/88/206305788.db2.gz ZCRWIOGKPRLGIL-GOEBONIOSA-N 1 0 339.867 2.176 20 70 EEIDRO CC(C)[C@@H](CCO)NC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000161355378 206343725 /nfs/dbraw/zinc/34/37/25/206343725.db2.gz UAMKRFWADCXGOT-CRAIPNDOSA-N 1 0 348.491 2.313 20 70 EEIDRO CC[C@H]1Oc2cc([C@@H](C)NC(=O)[C@H]3CCCC[NH2+]3)ccc2NC1=O ZINC000161364242 206344184 /nfs/dbraw/zinc/34/41/84/206344184.db2.gz WJQLTLKQPVQZMB-KCPJHIHWSA-N 1 0 331.416 2.115 20 70 EEIDRO Cc1c(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)cnn1C1CCOCC1 ZINC000160288640 225381346 /nfs/dbraw/zinc/38/13/46/225381346.db2.gz XQUBWMMKOHFWNC-MRXNPFEDSA-N 1 0 348.491 2.393 20 70 EEIDRO Cc1cc(NC(=O)[C@H]2CCCN2Cc2ccc(F)cc2)c[nH]c1=O ZINC000159574409 311343148 /nfs/dbraw/zinc/34/31/48/311343148.db2.gz GUYTWWKHBWAURG-MRXNPFEDSA-N 1 0 329.375 2.426 20 70 EEIDRO COCC[N@H+](C)CCCC1CCN(C(=O)NCC(F)(F)F)CC1 ZINC000160045336 311349155 /nfs/dbraw/zinc/34/91/55/311349155.db2.gz GDOQAHOYIOKFJL-UHFFFAOYSA-N 1 0 339.402 2.329 20 70 EEIDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)NCCOc1ncccc1Cl ZINC000160104668 311349993 /nfs/dbraw/zinc/34/99/93/311349993.db2.gz DCNSVNRDDFTDKG-ZDUSSCGKSA-N 1 0 340.855 2.287 20 70 EEIDRO CCC(CC)CNC(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000160535067 311355280 /nfs/dbraw/zinc/35/52/80/311355280.db2.gz NEQBAVRIQGZUKY-GOSISDBHSA-N 1 0 333.476 2.141 20 70 EEIDRO Cc1ccc(C)c([C@@H](C)[NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)c1 ZINC000160777075 311358419 /nfs/dbraw/zinc/35/84/19/311358419.db2.gz WKQFASPGINXPIE-OAHLLOKOSA-N 1 0 339.439 2.369 20 70 EEIDRO Cc1c(C(=O)N2CCC(CC[NH+](C)C)CC2)cnn1C1CCOCC1 ZINC000161011243 311360877 /nfs/dbraw/zinc/36/08/77/311360877.db2.gz VMVFGKINRZTHNB-UHFFFAOYSA-N 1 0 348.491 2.347 20 70 EEIDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(C(=O)OC)cs2)C1 ZINC000161136221 311362724 /nfs/dbraw/zinc/36/27/24/311362724.db2.gz BXFNLESVCKFSFB-NSHDSACASA-N 1 0 325.434 2.340 20 70 EEIDRO CCCc1nc(CN2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)cs1 ZINC000159396661 463284396 /nfs/dbraw/zinc/28/43/96/463284396.db2.gz WRUTVSXNWLHFNQ-HNNXBMFYSA-N 1 0 336.505 2.010 20 70 EEIDRO Cc1nc(COc2ccc(C[N@H+]3C[C@H](C(N)=O)CC[C@@H]3C)cc2)no1 ZINC000159669022 463298278 /nfs/dbraw/zinc/29/82/78/463298278.db2.gz MZONXCCZOBJICB-SWLSCSKDSA-N 1 0 344.415 2.043 20 70 EEIDRO COC(=O)c1ccc(N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)nn1 ZINC000160244798 463323265 /nfs/dbraw/zinc/32/32/65/463323265.db2.gz YLHYUCNJYKSMEX-CJNGLKHVSA-N 1 0 326.400 2.196 20 70 EEIDRO C[C@@H](CNC(=O)N1CCCN(CC(F)F)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000160304992 463326885 /nfs/dbraw/zinc/32/68/85/463326885.db2.gz RVSNRKDHLLMSGV-GJZGRUSLSA-N 1 0 346.466 2.089 20 70 EEIDRO CC(C)c1cccc(OCC(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000160328102 463328202 /nfs/dbraw/zinc/32/82/02/463328202.db2.gz ONHUBTFLSJUXSU-QGZVFWFLSA-N 1 0 334.460 2.152 20 70 EEIDRO CCC(CC)(C[NH3+])C(=O)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000161264691 463414952 /nfs/dbraw/zinc/41/49/52/463414952.db2.gz PQXSKTSVIOJBTN-CQSZACIVSA-N 1 0 329.448 2.200 20 70 EEIDRO CC(C)CCn1ccc(NC(=O)NCC(C)(C)N2CCOCC2)n1 ZINC000161409189 463428585 /nfs/dbraw/zinc/42/85/85/463428585.db2.gz IDXKYOSUJVCRNV-UHFFFAOYSA-N 1 0 337.468 2.162 20 70 EEIDRO COCCC1(C(=O)N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)CC1 ZINC000161436878 463430786 /nfs/dbraw/zinc/43/07/86/463430786.db2.gz SFOGQPLZRCMRAP-HZPDHXFCSA-N 1 0 338.492 2.151 20 70 EEIDRO CCC(CC)(CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C(=O)OC ZINC000160034602 528678340 /nfs/dbraw/zinc/67/83/40/528678340.db2.gz XGSJVXMIZWZKIW-ZDUSSCGKSA-N 1 0 329.485 2.241 20 70 EEIDRO CCCS(=O)(=O)Nc1cccc(C(=O)NCC([NH3+])(CC)CC)c1 ZINC000160529266 528817457 /nfs/dbraw/zinc/81/74/57/528817457.db2.gz FGJJJOWIYKVDBK-UHFFFAOYSA-N 1 0 341.477 2.086 20 70 EEIDRO COc1cc([C@@H](C)[NH2+]Cc2ccc(N(C)C)nc2)ccc1OCCO ZINC000160829264 539523763 /nfs/dbraw/zinc/52/37/63/539523763.db2.gz KANGJSXZIAQFBN-CQSZACIVSA-N 1 0 345.443 2.378 20 70 EEIDRO CCCCn1ncc(C(=O)N2CCN(c3cc[nH+]cc3)CC2)c1C ZINC000161078195 539525046 /nfs/dbraw/zinc/52/50/46/539525046.db2.gz WLOKEHYUKUFQCA-UHFFFAOYSA-N 1 0 327.432 2.349 20 70 EEIDRO CC[C@@H]1CCCCN1C(=O)[C@H](C)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161326426 539527129 /nfs/dbraw/zinc/52/71/29/539527129.db2.gz JHXMFMQQHOASKK-DLBZAZTESA-N 1 0 330.476 2.383 20 70 EEIDRO CCn1c(C(=O)NC[C@H](O)C[NH+]2CCCCC2)cc2ccccc21 ZINC000159990516 237227032 /nfs/dbraw/zinc/22/70/32/237227032.db2.gz RRMQLUXBNDILFJ-INIZCTEOSA-N 1 0 329.444 2.238 20 70 EEIDRO CCOc1cccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)c1 ZINC000159422034 206245600 /nfs/dbraw/zinc/24/56/00/206245600.db2.gz PFPINVXAXHOFNA-HNNXBMFYSA-N 1 0 347.459 2.118 20 70 EEIDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccccc2Cl)C1 ZINC000159466943 206246722 /nfs/dbraw/zinc/24/67/22/206246722.db2.gz LTNCVFWPQUWWRQ-ZDUSSCGKSA-N 1 0 337.851 2.373 20 70 EEIDRO C[C@@H]1C[N@@H+](CCCNC(=O)c2ccnc(Cl)c2F)C[C@H](C)O1 ZINC000159535275 206251160 /nfs/dbraw/zinc/25/11/60/206251160.db2.gz ITTPOMMANQQFPL-PHIMTYICSA-N 1 0 329.803 2.103 20 70 EEIDRO CN(CCCOc1ccccc1)C(=O)C[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000159768828 206262699 /nfs/dbraw/zinc/26/26/99/206262699.db2.gz UGSOTTOVFXSGCH-AEFFLSMTSA-N 1 0 334.460 2.007 20 70 EEIDRO CN(C)c1cccc(C[N@H+](C)Cc2cc(=O)n3ccsc3n2)c1 ZINC000159888514 206268919 /nfs/dbraw/zinc/26/89/19/206268919.db2.gz JZFFOLTWPIEMCO-UHFFFAOYSA-N 1 0 328.441 2.454 20 70 EEIDRO COc1cc(F)c([C@H](C)NC(=O)[C@H]([NH3+])CCSC)cc1OC ZINC000159966056 206273818 /nfs/dbraw/zinc/27/38/18/206273818.db2.gz DBXLHPZHLSNVAC-JOYOIKCWSA-N 1 0 330.425 2.101 20 70 EEIDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(C)C[C@@H]1CCC[C@@H]1O ZINC000160030288 206275871 /nfs/dbraw/zinc/27/58/71/206275871.db2.gz PFCQXCXGYFLVKK-WNHJNPCNSA-N 1 0 345.487 2.309 20 70 EEIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cc2ccc(Cl)cc2[nH]1 ZINC000160068625 206278035 /nfs/dbraw/zinc/27/80/35/206278035.db2.gz LQRBBJRKMRGVKR-CQSZACIVSA-N 1 0 335.835 2.398 20 70 EEIDRO CC[NH+]1CCC(NC(=O)c2ccc(C)nc2Br)CC1 ZINC000160339647 206290946 /nfs/dbraw/zinc/29/09/46/206290946.db2.gz ILLWRVICASCRCT-UHFFFAOYSA-N 1 0 326.238 2.367 20 70 EEIDRO Cc1c(CNC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)cnn1C ZINC000160377795 206294813 /nfs/dbraw/zinc/29/48/13/206294813.db2.gz FHNPUVMXIZJQFB-SFHVURJKSA-N 1 0 341.459 2.192 20 70 EEIDRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)NOCc1cccnc1 ZINC000161001787 206322470 /nfs/dbraw/zinc/32/24/70/206322470.db2.gz FBSAYBKJVBRRAK-HNNXBMFYSA-N 1 0 330.388 2.243 20 70 EEIDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)cc1 ZINC000161033372 206324706 /nfs/dbraw/zinc/32/47/06/206324706.db2.gz SCRTZFSKVBIYPK-CQSZACIVSA-N 1 0 325.412 2.061 20 70 EEIDRO CC(C)NC(=O)c1ccc(C(=O)NC[C@@H](C)C[NH+]2CCCC2)cc1 ZINC000161101504 206328381 /nfs/dbraw/zinc/32/83/81/206328381.db2.gz AUDHNNTWFFJLJE-OAHLLOKOSA-N 1 0 331.460 2.287 20 70 EEIDRO C[C@@H](CNC(=O)NOCc1cccnc1)[N@@H+]1CCc2ccccc2C1 ZINC000161095711 206328791 /nfs/dbraw/zinc/32/87/91/206328791.db2.gz CVPCZWDPYZTNOZ-HNNXBMFYSA-N 1 0 340.427 2.259 20 70 EEIDRO CC(C)c1ccc(N2CC[C@H](C(=O)NC[C@@H]3CC[N@H+](C)C3)C2=O)cc1 ZINC000161315574 206340101 /nfs/dbraw/zinc/34/01/01/206340101.db2.gz ZDICIBUODHMZKJ-MAUKXSAKSA-N 1 0 343.471 2.231 20 70 EEIDRO C[C@@H](CNC(=O)Nc1ccnn1C[C@H]1CCOC1)[NH+]1CCC(C)CC1 ZINC000159400254 311340863 /nfs/dbraw/zinc/34/08/63/311340863.db2.gz NEXKYTOMFQZRCU-JKSUJKDBSA-N 1 0 349.479 2.162 20 70 EEIDRO C[NH+](C)[C@H](CNC(=O)c1cccc2[nH]c(=O)oc21)c1ccc(F)cc1 ZINC000159657671 311344264 /nfs/dbraw/zinc/34/42/64/311344264.db2.gz LOCKCFWPVLMTEZ-OAHLLOKOSA-N 1 0 343.358 2.293 20 70 EEIDRO C[C@@H]1CCC[N@H+](CCNC(=O)N(C)CCC(=O)OC(C)(C)C)C1 ZINC000160274674 311352357 /nfs/dbraw/zinc/35/23/57/311352357.db2.gz RNFGELKUHOXXOR-CQSZACIVSA-N 1 0 327.469 2.092 20 70 EEIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CCCNC(=O)c1ccco1 ZINC000160417811 311353973 /nfs/dbraw/zinc/35/39/73/311353973.db2.gz BADJGFUFLJMLRH-OAHLLOKOSA-N 1 0 335.448 2.026 20 70 EEIDRO CCC([NH3+])(CC)CNC(=O)/C=C/c1cc(OC)c(OC)cc1OC ZINC000160455464 311354381 /nfs/dbraw/zinc/35/43/81/311354381.db2.gz IEBHSPTYCGGWTA-CMDGGOBGSA-N 1 0 336.432 2.359 20 70 EEIDRO CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[N@H+](C)C(C)C ZINC000160512042 311355057 /nfs/dbraw/zinc/35/50/57/311355057.db2.gz GZYHALREPWGJFJ-AWEZNQCLSA-N 1 0 329.485 2.382 20 70 EEIDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)CS(=O)(=O)C(C)(C)C)C1 ZINC000160647897 311356968 /nfs/dbraw/zinc/35/69/68/311356968.db2.gz QZQAIKBNJGJYJG-GJZGRUSLSA-N 1 0 346.537 2.074 20 70 EEIDRO CCN1CCCC[C@@H]1C[NH2+][C@@H](C)Cn1cc(Br)cn1 ZINC000161185564 311363399 /nfs/dbraw/zinc/36/33/99/311363399.db2.gz JDKUVMGGDDXGMG-GXTWGEPZSA-N 1 0 329.286 2.498 20 70 EEIDRO COc1ccc([C@@H](CC(=O)NCC2([NH3+])CCCCC2)NC(C)=O)cc1 ZINC000159520933 463290374 /nfs/dbraw/zinc/29/03/74/463290374.db2.gz SQGPAPGOJNUQDL-QGZVFWFLSA-N 1 0 347.459 2.040 20 70 EEIDRO CC1CC[NH+](C[C@@H](O)CNC(=O)C(C)(C)c2ccc(F)cc2)CC1 ZINC000159571781 463293191 /nfs/dbraw/zinc/29/31/91/463293191.db2.gz GMUXAAAYZPVKBM-KRWDZBQOSA-N 1 0 336.451 2.312 20 70 EEIDRO [NH3+]C1(CNC(=O)CCC(=O)c2ccc3c(c2)OCCO3)CCCCC1 ZINC000159656808 463297428 /nfs/dbraw/zinc/29/74/28/463297428.db2.gz PDRLYGGTRPKLBA-UHFFFAOYSA-N 1 0 346.427 2.199 20 70 EEIDRO COc1ccc(C(=O)CCC(=O)NCC2([NH3+])CCCCC2)cc1OC ZINC000159694367 463300042 /nfs/dbraw/zinc/30/00/42/463300042.db2.gz GFDZKHAKDRSYFO-UHFFFAOYSA-N 1 0 348.443 2.445 20 70 EEIDRO CN(Cc1cc2c(cc1Br)OCCO2)[C@H](C[NH3+])C1CC1 ZINC000160101181 463319235 /nfs/dbraw/zinc/31/92/35/463319235.db2.gz OWQYRDBCAIEOMN-CYBMUJFWSA-N 1 0 341.249 2.389 20 70 EEIDRO O=C(c1ccc(OC[C@@H]2CCCO2)cc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160354868 463330403 /nfs/dbraw/zinc/33/04/03/463330403.db2.gz LDCWVKDZYFSPEM-JZXOWHBKSA-N 1 0 330.428 2.211 20 70 EEIDRO CCCCN(C)c1ccc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000160509652 463345983 /nfs/dbraw/zinc/34/59/83/463345983.db2.gz AAJYFPBZENIJQR-LJQANCHMSA-N 1 0 347.503 2.500 20 70 EEIDRO CN1CCN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)[C@@H](c2ccccc2)C1 ZINC000160619910 463356723 /nfs/dbraw/zinc/35/67/23/463356723.db2.gz KOFKOPHUADLYJJ-RTBURBONSA-N 1 0 342.487 2.169 20 70 EEIDRO CO[C@@H]1CCC[C@H]1NC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000160863093 463376754 /nfs/dbraw/zinc/37/67/54/463376754.db2.gz QYKTXBQZUKZYTE-HUUCEWRRSA-N 1 0 341.521 2.215 20 70 EEIDRO [NH3+][C@H]1CCC[C@H](NC(=O)CCC(=O)CCC(=O)c2cccs2)C1 ZINC000161077162 463397465 /nfs/dbraw/zinc/39/74/65/463397465.db2.gz GWTHEQQGEYKIHJ-STQMWFEESA-N 1 0 336.457 2.446 20 70 EEIDRO CCC(=O)N1CC[C@@H](C(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)C1 ZINC000161154775 463405786 /nfs/dbraw/zinc/40/57/86/463405786.db2.gz FLJRFIYIIDYSMG-ZWKOTPCHSA-N 1 0 349.519 2.215 20 70 EEIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)CCSc2ccc3c(c2)OCCO3)C1 ZINC000161264028 463415005 /nfs/dbraw/zinc/41/50/05/463415005.db2.gz BIZVCIAJQZSOBF-OLZOCXBDSA-N 1 0 336.457 2.326 20 70 EEIDRO C[C@H](NC(=O)Nc1ccc(F)cc1OC(F)F)[C@H]1CN(C)CCO1 ZINC000160127869 539520427 /nfs/dbraw/zinc/52/04/27/539520427.db2.gz VBCGBWSHAHBCPT-TVQRCGJNSA-N 1 0 347.337 2.268 20 70 EEIDRO Cn1cc(N2CC[C@H]([NH2+][C@@H]3CCCc4cc(F)ccc43)C2=O)cn1 ZINC000159547733 282655913 /nfs/dbraw/zinc/65/59/13/282655913.db2.gz IJCJJKUZNUPXEA-SJORKVTESA-N 1 0 328.391 2.332 20 70 EEIDRO Cc1cccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)c1C ZINC000159395877 206244322 /nfs/dbraw/zinc/24/43/22/206244322.db2.gz UIRKFNDCCIHBKP-MRXNPFEDSA-N 1 0 331.460 2.336 20 70 EEIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cccc(N3CCOC3=O)c1)CC2 ZINC000160431636 206297792 /nfs/dbraw/zinc/29/77/92/206297792.db2.gz ANNFBVYSJBZXGO-SWLSCSKDSA-N 1 0 341.415 2.209 20 70 EEIDRO CC[NH2+]CC1CCN(C(=O)c2ccc(-n3cncn3)c(C)c2)CC1 ZINC000161149013 206331403 /nfs/dbraw/zinc/33/14/03/206331403.db2.gz GFFBGLYORZOAJQ-UHFFFAOYSA-N 1 0 327.432 2.037 20 70 EEIDRO CC[C@@H](O)CCNC(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000160757039 206311654 /nfs/dbraw/zinc/31/16/54/206311654.db2.gz PUVDMHVQMNKQEJ-AEFFLSMTSA-N 1 0 349.475 2.292 20 70 EEIDRO COc1ccc(CN(CCO)CCC[NH+]2CCCCC2)c(OC)c1 ZINC000161068525 206327210 /nfs/dbraw/zinc/32/72/10/206327210.db2.gz KHUYHOKWJMUXOZ-UHFFFAOYSA-N 1 0 336.476 2.374 20 70 EEIDRO COc1cccc(C(=O)N2CCN(CCC[NH+]3CCCCC3)CC2)c1 ZINC000161217589 206336057 /nfs/dbraw/zinc/33/60/57/206336057.db2.gz DPCXXALHUVIDGJ-UHFFFAOYSA-N 1 0 345.487 2.329 20 70 EEIDRO CCCNC(=O)c1cccc(C[NH2+]C2CCC(NC(C)=O)CC2)c1 ZINC000161306171 206340652 /nfs/dbraw/zinc/34/06/52/206340652.db2.gz IPNCFKGUGFCFHU-UHFFFAOYSA-N 1 0 331.460 2.363 20 70 EEIDRO Cc1ccc(CN2C[C@@H](C(=O)NCC3([NH3+])CCCCC3)CC2=O)cc1 ZINC000159560811 255796531 /nfs/dbraw/zinc/79/65/31/255796531.db2.gz ZXWIVHBNRLJVAV-KRWDZBQOSA-N 1 0 343.471 2.121 20 70 EEIDRO C[NH2+][C@H]1CCN(C(=O)Cc2csc(Cc3ccc(F)cc3)n2)C1 ZINC000160619079 255800160 /nfs/dbraw/zinc/80/01/60/255800160.db2.gz KAWSZCRTNQHJLT-AWEZNQCLSA-N 1 0 333.432 2.236 20 70 EEIDRO Cc1cccc(OCC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000160179283 225354830 /nfs/dbraw/zinc/35/48/30/225354830.db2.gz HPJJKUHDBVDMPB-MOPGFXCFSA-N 1 0 346.471 2.258 20 70 EEIDRO Cc1c(CNC(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)cnn1C ZINC000161063466 280226621 /nfs/dbraw/zinc/22/66/21/280226621.db2.gz BBBMIJAFSSHZSL-KRWDZBQOSA-N 1 0 329.448 2.139 20 70 EEIDRO CC[C@H]([NH3+])C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000159506342 311342114 /nfs/dbraw/zinc/34/21/14/311342114.db2.gz SLXOKKDVANEXAT-IRXDYDNUSA-N 1 0 325.412 2.090 20 70 EEIDRO C[N@H+](CC(=O)N[C@@H]1CCCN(c2ccccc2)C1)[C@@H]1CCSC1 ZINC000159610154 311343532 /nfs/dbraw/zinc/34/35/32/311343532.db2.gz GFAHFMXRLSUFAY-NVXWUHKLSA-N 1 0 333.501 2.209 20 70 EEIDRO CCC(=O)N1CC[C@H](C(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000159672440 311344219 /nfs/dbraw/zinc/34/42/19/311344219.db2.gz FBHNAJQKLCKNDB-XHSDSOJGSA-N 1 0 337.508 2.118 20 70 EEIDRO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]21)N1CCC(C(=O)N2CCCC2)CC1 ZINC000159715832 311345023 /nfs/dbraw/zinc/34/50/23/311345023.db2.gz FWYCNSJOGFETCK-WMZOPIPTSA-N 1 0 347.503 2.112 20 70 EEIDRO CC[NH+](CC)CCCCNC(=O)c1cc2c([nH]c1=O)CCCCC2 ZINC000160092964 311350217 /nfs/dbraw/zinc/35/02/17/311350217.db2.gz OZZFCCNBAWKAPB-UHFFFAOYSA-N 1 0 333.476 2.496 20 70 EEIDRO CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@](C)(O)C1)Cc1ccccc1 ZINC000160287186 311352532 /nfs/dbraw/zinc/35/25/32/311352532.db2.gz AGEGIRRZYFORHC-ICSRJNTNSA-N 1 0 347.503 2.496 20 70 EEIDRO CCN(CCC(=O)OC)C(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000160610074 311356393 /nfs/dbraw/zinc/35/63/93/311356393.db2.gz XSDOSSQFSUMNLD-QGZVFWFLSA-N 1 0 332.444 2.453 20 70 EEIDRO O=C(c1ccc(-c2n[nH]c(C3CC3)n2)cc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159661818 463297598 /nfs/dbraw/zinc/29/75/98/463297598.db2.gz RTXCVAXDADSERH-IYBDPMFKSA-N 1 0 337.427 2.316 20 70 EEIDRO [NH3+][C@@H](C(=O)NCCCC(=O)N1Cc2ccccc2C1)c1ccccc1 ZINC000159804122 463305559 /nfs/dbraw/zinc/30/55/59/463305559.db2.gz XPWOEEVOVZLJNO-LJQANCHMSA-N 1 0 337.423 2.125 20 70 EEIDRO CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159782594 463305695 /nfs/dbraw/zinc/30/56/95/463305695.db2.gz RFWKMCGGJALBCI-KRWDZBQOSA-N 1 0 349.519 2.404 20 70 EEIDRO Cn1cnc2cc(C(=O)NCCC[N@H+](C)C3CCCCC3)cnc21 ZINC000160066897 463316698 /nfs/dbraw/zinc/31/66/98/463316698.db2.gz WMADGDKAAPHWOW-UHFFFAOYSA-N 1 0 329.448 2.353 20 70 EEIDRO Cc1cc[nH]c(=O)c1C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000160258850 463325240 /nfs/dbraw/zinc/32/52/40/463325240.db2.gz AIPLWONVHAITKI-UHFFFAOYSA-N 1 0 342.399 2.238 20 70 EEIDRO COC(=O)Cc1cccc(NC(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)c1 ZINC000160490824 463342344 /nfs/dbraw/zinc/34/23/44/463342344.db2.gz GABRSIDOYKNOHJ-SFHVURJKSA-N 1 0 348.443 2.134 20 70 EEIDRO COCCCN(CCc1ccc(OC)cc1)C(=O)[C@H]1CCC[NH2+]C1 ZINC000160880624 463379866 /nfs/dbraw/zinc/37/98/66/463379866.db2.gz DWEQDGGKRRHRPX-KRWDZBQOSA-N 1 0 334.460 2.102 20 70 EEIDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cccc3c2oc(=O)n3C)C1 ZINC000160896798 463380880 /nfs/dbraw/zinc/38/08/80/463380880.db2.gz SBCIDYQJSLMVPS-CYBMUJFWSA-N 1 0 345.443 2.372 20 70 EEIDRO CCC(CC)(C[NH3+])C(=O)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000161264637 463414809 /nfs/dbraw/zinc/41/48/09/463414809.db2.gz PQXSKTSVIOJBTN-AWEZNQCLSA-N 1 0 329.448 2.200 20 70 EEIDRO COc1ccc(CCC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c(OC)c1OC ZINC000161292479 463417002 /nfs/dbraw/zinc/41/70/02/463417002.db2.gz CNTQETCQJFLRPB-ZIAGYGMSSA-N 1 0 336.432 2.031 20 70 EEIDRO C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C)NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000161331887 463422388 /nfs/dbraw/zinc/42/23/88/463422388.db2.gz ZHWMNMALZXVWNE-PBHICJAKSA-N 1 0 345.487 2.313 20 70 EEIDRO CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)CCS(C)(=O)=O ZINC000161357979 463424697 /nfs/dbraw/zinc/42/46/97/463424697.db2.gz WKZFFHZUQDIPBF-UHFFFAOYSA-N 1 0 339.436 2.125 20 70 EEIDRO CC(C)CC(=O)NCCC(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000161380377 463426744 /nfs/dbraw/zinc/42/67/44/463426744.db2.gz KYUIXUTVIIHMOR-UHFFFAOYSA-N 1 0 325.497 2.119 20 70 EEIDRO CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)NCC(C)(C)[NH3+])CC1=O ZINC000160017005 529431028 /nfs/dbraw/zinc/43/10/28/529431028.db2.gz YRVIVLRROHZXQU-KGLIPLIRSA-N 1 0 331.460 2.407 20 70 EEIDRO Cc1cccc(OCC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000160179402 539520599 /nfs/dbraw/zinc/52/05/99/539520599.db2.gz HPJJKUHDBVDMPB-OALUTQOASA-N 1 0 346.471 2.258 20 70 EEIDRO C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161350099 539527091 /nfs/dbraw/zinc/52/70/91/539527091.db2.gz AKCHANIPYRDVRM-CQSZACIVSA-N 1 0 335.411 2.201 20 70 EEIDRO COc1ccc(NC(=O)[C@H](C)N2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000161378360 539527828 /nfs/dbraw/zinc/52/78/28/539527828.db2.gz GIFNVANWQLESJQ-HNNXBMFYSA-N 1 0 340.427 2.239 20 70 EEIDRO Cc1nc2ccccc2cc1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160249479 237236227 /nfs/dbraw/zinc/23/62/27/237236227.db2.gz LJPFFRZYQGGDKK-INIZCTEOSA-N 1 0 327.428 2.120 20 70 EEIDRO Cc1cc(F)ccc1C[N@@H+]1CCCC[C@H]1CCNS(C)(=O)=O ZINC000159424749 206245302 /nfs/dbraw/zinc/24/53/02/206245302.db2.gz AIDKRYPYAFMBGT-INIZCTEOSA-N 1 0 328.453 2.428 20 70 EEIDRO CC[N@@H+]1CCCN(C(=O)NCc2nc(C(F)(F)F)cs2)CC1 ZINC000159892719 206269086 /nfs/dbraw/zinc/26/90/86/206269086.db2.gz JKZOSPOULWQPGF-UHFFFAOYSA-N 1 0 336.383 2.399 20 70 EEIDRO [NH3+]C[C@@H]1CCCN1C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000160158685 206281553 /nfs/dbraw/zinc/28/15/53/206281553.db2.gz LVCZFZAXKZZBFO-KRWDZBQOSA-N 1 0 347.422 2.498 20 70 EEIDRO O=S(=O)(c1ccccc1F)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160158638 206282625 /nfs/dbraw/zinc/28/26/25/206282625.db2.gz OAKDUACXFFYGEF-CQSZACIVSA-N 1 0 326.437 2.465 20 70 EEIDRO CCCCCn1nc(C(=O)N2CC[C@@H]([NH2+]C)C2)c2ccccc2c1=O ZINC000160471792 206299045 /nfs/dbraw/zinc/29/90/45/206299045.db2.gz NTSVOJRWXIDGOS-CQSZACIVSA-N 1 0 342.443 2.021 20 70 EEIDRO COCc1ccc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000160724725 206310093 /nfs/dbraw/zinc/31/00/93/206310093.db2.gz KZZZTDQZZPSCNT-MOPGFXCFSA-N 1 0 346.471 2.331 20 70 EEIDRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C3(NC(N)=O)CC3)cc2)C1 ZINC000160851371 206317183 /nfs/dbraw/zinc/31/71/83/206317183.db2.gz UXAFDAOHTBGOPP-ZDUSSCGKSA-N 1 0 330.432 2.058 20 70 EEIDRO CCC[NH+]1CCC(N(C)C(=O)c2csc(S(C)(=O)=O)c2)CC1 ZINC000160984468 206322521 /nfs/dbraw/zinc/32/25/21/206322521.db2.gz FYARPXQXKOYPFW-UHFFFAOYSA-N 1 0 344.502 2.098 20 70 EEIDRO CCn1nnnc1-c1cccc(NC(=O)[C@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)c1 ZINC000161126857 206329298 /nfs/dbraw/zinc/32/92/98/206329298.db2.gz MLJFAVOUSCNDEV-VBNZEHGJSA-N 1 0 340.431 2.219 20 70 EEIDRO CN(CC(C)(C)CN1CCOCC1)C(=O)COCCc1ccccc1 ZINC000160252421 311351636 /nfs/dbraw/zinc/35/16/36/311351636.db2.gz ROHIEMBFDCEQNW-UHFFFAOYSA-N 1 0 348.487 2.063 20 70 EEIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cc(-c2ccccc2)c(C)[nH]c1=O ZINC000161323998 311364568 /nfs/dbraw/zinc/36/45/68/311364568.db2.gz XULWTDOLKDDLLW-HNNXBMFYSA-N 1 0 325.412 2.174 20 70 EEIDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cc(N(C)C)ccn1 ZINC000159370333 463283053 /nfs/dbraw/zinc/28/30/53/463283053.db2.gz DPGTXTMQIKKHDD-KXBFYZLASA-N 1 0 338.455 2.398 20 70 EEIDRO CC[C@H]([NH3+])C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000159506477 463290144 /nfs/dbraw/zinc/29/01/44/463290144.db2.gz SLXOKKDVANEXAT-DLBZAZTESA-N 1 0 325.412 2.090 20 70 EEIDRO C[C@@H](C(=O)N1CCC(N2CCCCC2=O)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000160498745 463344540 /nfs/dbraw/zinc/34/45/40/463344540.db2.gz XLAJUGZCFXRBNL-OAGGEKHMSA-N 1 0 335.492 2.251 20 70 EEIDRO Cn1cnc2cc(C(=O)NC[C@H]3CCC[N@@H+]3Cc3ccccc3)cnc21 ZINC000160515932 463345721 /nfs/dbraw/zinc/34/57/21/463345721.db2.gz VNMKLJYUBPHIJC-QGZVFWFLSA-N 1 0 349.438 2.363 20 70 EEIDRO C[C@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccc2c(c1)OCCCO2 ZINC000160561169 463350118 /nfs/dbraw/zinc/35/01/18/463350118.db2.gz ULQDHIJOZNGBSJ-JTQLQIEISA-N 1 0 332.322 2.177 20 70 EEIDRO C[C@]1(C(=O)NCC2CC[NH+](CCO)CC2)CCCc2ccccc21 ZINC000160637707 463357563 /nfs/dbraw/zinc/35/75/63/463357563.db2.gz PKRWLNJYGXEESV-FQEVSTJZSA-N 1 0 330.472 2.101 20 70 EEIDRO C[C@H](C[NH+]1C[C@@H](C)C[C@H](C)C1)NC(=O)c1cccc2[nH]c(=O)oc21 ZINC000160900397 463380037 /nfs/dbraw/zinc/38/00/37/463380037.db2.gz ZMWKWOUKORJGHC-RWMBFGLXSA-N 1 0 331.416 2.217 20 70 EEIDRO CSCc1nc2ccccc2n1CC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000161212583 463410192 /nfs/dbraw/zinc/41/01/92/463410192.db2.gz UMVJLMDUDJTZKN-CHWSQXEVSA-N 1 0 332.473 2.285 20 70 EEIDRO COCCc1ccc(OCCCC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000161256841 463413726 /nfs/dbraw/zinc/41/37/26/463413726.db2.gz IQSOTKQFGYJCTA-SJORKVTESA-N 1 0 334.460 2.421 20 70 EEIDRO Cc1nc(CC(C)C)sc1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160365172 518192489 /nfs/dbraw/zinc/19/24/89/518192489.db2.gz CVBCYHCXMUHXJS-CQSZACIVSA-N 1 0 339.505 2.227 20 70 EEIDRO Cc1ccc2nc(C)c(C(=O)NC[C@@H](O)C[NH+]3CCCCC3)cc2c1 ZINC000160281264 534491921 /nfs/dbraw/zinc/49/19/21/534491921.db2.gz OUYFJCYQPGKMBO-QGZVFWFLSA-N 1 0 341.455 2.428 20 70 EEIDRO CN(CC(=O)Nc1ccc(Br)cc1F)[C@@H](C[NH3+])C1CC1 ZINC000160097092 529837590 /nfs/dbraw/zinc/83/75/90/529837590.db2.gz GNJRRRIGIIERQV-ZDUSSCGKSA-N 1 0 344.228 2.196 20 70 EEIDRO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCCC[C@@H]2CO)C[N@@H+]1Cc1ccccc1 ZINC000160345195 539520939 /nfs/dbraw/zinc/52/09/39/539520939.db2.gz VAWFNEVJCLNRQI-OQIJWPOYSA-N 1 0 345.487 2.500 20 70 EEIDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H](O)c2ccccc2F)C1 ZINC000216916963 241223416 /nfs/dbraw/zinc/22/34/16/241223416.db2.gz XTKDNIYYPWMLOI-WMLDXEAASA-N 1 0 337.439 2.279 20 70 EEIDRO CC[NH+](CC)CCNC(=O)Nc1cc(OC)c(OC)c(OC)c1 ZINC000217268258 241244137 /nfs/dbraw/zinc/24/41/37/241244137.db2.gz AYQMDSGLJZUBQE-UHFFFAOYSA-N 1 0 325.409 2.176 20 70 EEIDRO CCN(CC)C(=O)C[C@@H](C)[NH2+]CCCc1nnc2n1CCCCC2 ZINC000161178678 159720692 /nfs/dbraw/zinc/72/06/92/159720692.db2.gz TXDVMCHKLSRTMY-OAHLLOKOSA-N 1 0 335.496 2.174 20 70 EEIDRO COC1(C(=O)Nc2ccc(-n3cc(C)cn3)c(F)c2)CC[NH2+]CC1 ZINC000159778600 225275899 /nfs/dbraw/zinc/27/58/99/225275899.db2.gz YYWAVDDMNJQRST-UHFFFAOYSA-N 1 0 332.379 2.027 20 70 EEIDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(C)Cc1nccn1C ZINC000159925292 225302954 /nfs/dbraw/zinc/30/29/54/225302954.db2.gz YQQGIWZWQRJRFR-RDJZCZTQSA-N 1 0 341.459 2.082 20 70 EEIDRO COCC[NH+]1CCC(NC(=O)[C@H](C)Cc2ccc(OC)cc2)CC1 ZINC000160301081 225383973 /nfs/dbraw/zinc/38/39/73/225383973.db2.gz IZNNTMJCUOHYJB-OAHLLOKOSA-N 1 0 334.460 2.101 20 70 EEIDRO CC[C@]1(C)C[C@H]1C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000159662652 311344392 /nfs/dbraw/zinc/34/43/92/311344392.db2.gz VPVWQFBAVDNKTF-AZUAARDMSA-N 1 0 329.488 2.357 20 70 EEIDRO COC(=O)c1ccc(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)cc1OC ZINC000159858834 311347593 /nfs/dbraw/zinc/34/75/93/311347593.db2.gz UFBKYAXUKVHFNU-CQSZACIVSA-N 1 0 348.443 2.363 20 70 EEIDRO C[NH+]1CCC(Oc2ccc(NCc3cccc(C(N)=O)c3)cn2)CC1 ZINC000160158888 311350411 /nfs/dbraw/zinc/35/04/11/311350411.db2.gz JPUDJYZBGRVQJP-UHFFFAOYSA-N 1 0 340.427 2.266 20 70 EEIDRO CCC[C@H]1CN(C(=O)NCCOC2CCCC2)CC[N@@H+]1CCOC ZINC000160662372 311357277 /nfs/dbraw/zinc/35/72/77/311357277.db2.gz FBCLFGZTGQAZRM-INIZCTEOSA-N 1 0 341.496 2.088 20 70 EEIDRO CSCC[C@@H]([NH3+])C(=O)Nc1cccc(CS(=O)(=O)C(C)C)c1 ZINC000159832701 463306143 /nfs/dbraw/zinc/30/61/43/463306143.db2.gz JCQKYQWKLSSOPO-CQSZACIVSA-N 1 0 344.502 2.029 20 70 EEIDRO CSC[C@H](CCO)[NH2+][C@H](C)c1nnn(-c2ccc(F)cc2)c1C ZINC000160291422 463326936 /nfs/dbraw/zinc/32/69/36/463326936.db2.gz YTLVKZMACSUYJE-RISCZKNCSA-N 1 0 338.452 2.479 20 70 EEIDRO O=S(=O)(c1ccc(C[NH2+][C@@H]2CCSC2)cc1)N1CCCC1 ZINC000160415420 463337755 /nfs/dbraw/zinc/33/77/55/463337755.db2.gz GMXOLWBRSXXCEF-CQSZACIVSA-N 1 0 326.487 2.066 20 70 EEIDRO COCc1cc([C@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)ccc1OC ZINC000160492272 463342309 /nfs/dbraw/zinc/34/23/09/463342309.db2.gz FNERVXLMTJPYEM-BLLLJJGKSA-N 1 0 330.432 2.407 20 70 EEIDRO CCC[N@@H+]1CC[C@H](CNC(=O)Nc2ccn(CC(F)(F)F)n2)C1 ZINC000160485715 463342380 /nfs/dbraw/zinc/34/23/80/463342380.db2.gz KCOYGHVTAZBVCS-LLVKDONJSA-N 1 0 333.358 2.299 20 70 EEIDRO COCc1cc([C@@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)ccc1OC ZINC000160492539 463342415 /nfs/dbraw/zinc/34/24/15/463342415.db2.gz FNERVXLMTJPYEM-MLGOLLRUSA-N 1 0 330.432 2.407 20 70 EEIDRO CCC([NH3+])(CC)CNC(=O)c1ncoc1-c1ccc2c(c1)OCCO2 ZINC000160541690 463348485 /nfs/dbraw/zinc/34/84/85/463348485.db2.gz NHMVDKJLOPOGMX-UHFFFAOYSA-N 1 0 345.399 2.360 20 70 EEIDRO O=C(Cc1ccc2ccccc2c1)NCC1CC[NH+](CCO)CC1 ZINC000160677311 463361362 /nfs/dbraw/zinc/36/13/62/463361362.db2.gz GFSKBWQCIIOPCU-UHFFFAOYSA-N 1 0 326.440 2.203 20 70 EEIDRO O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@H]1CCn2ccnc2C1 ZINC000160886779 463379236 /nfs/dbraw/zinc/37/92/36/463379236.db2.gz NMWKHQPGUOILMX-INIZCTEOSA-N 1 0 330.476 2.216 20 70 EEIDRO Cc1cccc2nc(C[N@@H+]3CC[C@@H](CNc4ccccn4)C3)cc(=O)n12 ZINC000160904527 463380047 /nfs/dbraw/zinc/38/00/47/463380047.db2.gz ULDRDOREMRESJD-INIZCTEOSA-N 1 0 349.438 2.332 20 70 EEIDRO COc1ccc(C(C)(C)C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000160949842 463385404 /nfs/dbraw/zinc/38/54/04/463385404.db2.gz LXTSKTJZQSHVAQ-INIZCTEOSA-N 1 0 346.471 2.154 20 70 EEIDRO CCC[NH+]1CCC(N(C)C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000160962004 463386258 /nfs/dbraw/zinc/38/62/58/463386258.db2.gz UWHUSMZOFNHFNC-BBWFWOEESA-N 1 0 335.492 2.460 20 70 EEIDRO COC[C@@H](Cc1ccccc1)[NH2+]CC(=O)NCc1ccc(OC)cc1 ZINC000160986766 463388484 /nfs/dbraw/zinc/38/84/84/463388484.db2.gz GTLJAEZAQKOVFO-GOSISDBHSA-N 1 0 342.439 2.159 20 70 EEIDRO CC(=O)N1CC[C@H](C[N@@H+](C)CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000161024520 463391844 /nfs/dbraw/zinc/39/18/44/463391844.db2.gz AWJSPBCCOIAOQP-QGZVFWFLSA-N 1 0 337.508 2.071 20 70 EEIDRO CCc1ccc([C@@H](C)[NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)s1 ZINC000161035351 463392731 /nfs/dbraw/zinc/39/27/31/463392731.db2.gz GXUKNOZLXRLXRE-GFCCVEGCSA-N 1 0 345.468 2.376 20 70 EEIDRO CC[C@@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)C1CCCCC1 ZINC000161035983 463393158 /nfs/dbraw/zinc/39/31/58/463393158.db2.gz WBOPMMDZTOLNBF-QGZVFWFLSA-N 1 0 331.460 2.350 20 70 EEIDRO CO[C@@H]1CCN(C(=O)c2ccc(Br)cc2)[C@H](C[NH3+])C1 ZINC000161092713 463398610 /nfs/dbraw/zinc/39/86/10/463398610.db2.gz LTTRWYPFHAZVPQ-QWHCGFSZSA-N 1 0 327.222 2.027 20 70 EEIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)CN(Cc2cccnc2)c2ccccc2)C1 ZINC000161191116 463409192 /nfs/dbraw/zinc/40/91/92/463409192.db2.gz JXDHJFQPXVFTOS-ZWKOTPCHSA-N 1 0 338.455 2.474 20 70 EEIDRO CCN1CCCC[C@H]1C[NH2+][C@@H](C)c1ccc(S(=O)(=O)NC)cc1 ZINC000161210260 463410332 /nfs/dbraw/zinc/41/03/32/463410332.db2.gz ZQFGWYYACYHREG-HOCLYGCPSA-N 1 0 339.505 2.120 20 70 EEIDRO CCC[C@H](O)CNC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000161210673 463410619 /nfs/dbraw/zinc/41/06/19/463410619.db2.gz PDXSLVSCYOXSKW-YOEHRIQHSA-N 1 0 334.464 2.067 20 70 EEIDRO CC[C@@](C)(CCO)NC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000161206162 463410663 /nfs/dbraw/zinc/41/06/63/463410663.db2.gz VLKPJAFMGRSZBC-BEFAXECRSA-N 1 0 348.491 2.457 20 70 EEIDRO Cc1ccc(C(=O)NCC[NH2+]C2CCC3(CC2)OCCO3)cc1F ZINC000161270364 463415131 /nfs/dbraw/zinc/41/51/31/463415131.db2.gz XLVYIHXFFFUUEB-UHFFFAOYSA-N 1 0 336.407 2.139 20 70 EEIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1 ZINC000161352560 463424466 /nfs/dbraw/zinc/42/44/66/463424466.db2.gz KPCVOISXVAKHQC-OAHLLOKOSA-N 1 0 342.443 2.269 20 70 EEIDRO CC[C@H](C)[N@H+](C)CCNC(=O)CCCOc1ccc2c(c1)OCO2 ZINC000161388637 463427455 /nfs/dbraw/zinc/42/74/55/463427455.db2.gz JJGJMHJDUVQWDN-AWEZNQCLSA-N 1 0 336.432 2.421 20 70 EEIDRO CCCCn1ncc(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1C ZINC000161405694 463428599 /nfs/dbraw/zinc/42/85/99/463428599.db2.gz BNPRSNUZKYYJDS-GASCZTMLSA-N 1 0 336.480 2.221 20 70 EEIDRO CCCCn1ncc(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1C ZINC000161405952 463429030 /nfs/dbraw/zinc/42/90/30/463429030.db2.gz BNPRSNUZKYYJDS-GJZGRUSLSA-N 1 0 336.480 2.221 20 70 EEIDRO COc1ccc(-n2ccc(C[NH2+]C3CCC(NC(C)=O)CC3)n2)cc1 ZINC000161461539 463432078 /nfs/dbraw/zinc/43/20/78/463432078.db2.gz OQZPUBYSEJMDQJ-UHFFFAOYSA-N 1 0 342.443 2.418 20 70 EEIDRO CC(C)Cc1ccc(CC(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000160260280 528646035 /nfs/dbraw/zinc/64/60/35/528646035.db2.gz VWJQDBPVLCRHFQ-LJQANCHMSA-N 1 0 332.488 2.391 20 70 EEIDRO C[NH+](Cc1cccc(C[N@H+](C)C[C@H](O)C2CC2)c1)C[C@H](O)C1CC1 ZINC000160821748 539523818 /nfs/dbraw/zinc/52/38/18/539523818.db2.gz QILFZLNKNDKLBY-PMACEKPBSA-N 1 0 332.488 2.092 20 70 EEIDRO C[C@@]1(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CCCN1C(=O)c1ccccc1 ZINC000159970957 237226986 /nfs/dbraw/zinc/22/69/86/237226986.db2.gz LOVYCXINYNICNF-QKLQHJQFSA-N 1 0 341.455 2.034 20 70 EEIDRO C[C@H](C(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1cc2ccccc2o1 ZINC000160294204 237234182 /nfs/dbraw/zinc/23/41/82/237234182.db2.gz KFCXDTPZZJRVOW-GOEBONIOSA-N 1 0 330.428 2.499 20 70 EEIDRO C[C@@H]([NH2+]CCCN1CCCC1=O)c1ccc(N2CCCC2=O)cc1 ZINC000159565377 533380301 /nfs/dbraw/zinc/38/03/01/533380301.db2.gz KZGFRMAWIGCCOP-OAHLLOKOSA-N 1 0 329.444 2.477 20 70 EEIDRO COC1(C(=O)Nc2ccc(O[C@H]3CCCC[C@H]3O)cc2)CC[NH2+]CC1 ZINC000159424821 225214849 /nfs/dbraw/zinc/21/48/49/225214849.db2.gz PWCNWKBYEJHHDZ-SJORKVTESA-N 1 0 348.443 2.076 20 70 EEIDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1nnc(Cl)cc1C(N)=O ZINC000160238699 225369149 /nfs/dbraw/zinc/36/91/49/225369149.db2.gz SPKYLMBXURVJKH-FZMZJTMJSA-N 1 0 345.834 2.161 20 70 EEIDRO Cn1cnc2cc(C(=O)N3CC[NH+](CC4CCCCC4)CC3)cnc21 ZINC000160257148 225373657 /nfs/dbraw/zinc/37/36/57/225373657.db2.gz WKKXPZAXBZTINF-UHFFFAOYSA-N 1 0 341.459 2.306 20 70 EEIDRO CC(C)[C@H](CCO)NC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000161355288 280230774 /nfs/dbraw/zinc/23/07/74/280230774.db2.gz UAMKRFWADCXGOT-YJBOKZPZSA-N 1 0 348.491 2.313 20 70 EEIDRO Cc1noc(C)c1CCC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160593896 311356039 /nfs/dbraw/zinc/35/60/39/311356039.db2.gz ORWSERSOBONAPI-ROUUACIJSA-N 1 0 349.475 2.108 20 70 EEIDRO C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)c1cnn(Cc2ccccc2)c1 ZINC000160600741 311356547 /nfs/dbraw/zinc/35/65/47/311356547.db2.gz SZNXZQYGNWOSMR-GFCCVEGCSA-N 1 0 340.349 2.261 20 70 EEIDRO COc1cccc([C@@H](CNC(=O)c2cc(C)ncn2)[NH+]2CCCC2)c1 ZINC000161255241 311363556 /nfs/dbraw/zinc/36/35/56/311363556.db2.gz FDOUEJNCYHONLR-GOSISDBHSA-N 1 0 340.427 2.361 20 70 EEIDRO O=C([C@@H]1CCN(c2cccc(Cl)c2)C1=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159430079 463285351 /nfs/dbraw/zinc/28/53/51/463285351.db2.gz MDSYEEZHDMMSQC-LZWOXQAQSA-N 1 0 347.846 2.046 20 70 EEIDRO Cc1cccc2nc(CNC(=O)N3CC[N@@H+](C)C[C@H]3C(C)C)cn21 ZINC000159544962 463291010 /nfs/dbraw/zinc/29/10/10/463291010.db2.gz BHNHYKRCQDLNBG-INIZCTEOSA-N 1 0 329.448 2.124 20 70 EEIDRO C[NH+]1CCC(CNC(=O)CCCOc2ccc3c(c2)OCO3)CC1 ZINC000159904584 463310519 /nfs/dbraw/zinc/31/05/19/463310519.db2.gz GYPANHBMWXUFIT-UHFFFAOYSA-N 1 0 334.416 2.032 20 70 EEIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(Cl)o1 ZINC000160432115 463338835 /nfs/dbraw/zinc/33/88/35/463338835.db2.gz RIKSURAUZSAKON-STQMWFEESA-N 1 0 326.824 2.431 20 70 EEIDRO CC(C)(CNC(=O)N1CCC[C@@](C)(O)C1)[N@@H+]1CCc2ccccc2C1 ZINC000160470231 463341861 /nfs/dbraw/zinc/34/18/61/463341861.db2.gz SGDHEHBHCAQXSG-HXUWFJFHSA-N 1 0 345.487 2.380 20 70 EEIDRO CC(C)NC(=O)c1ccc(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000160497800 463343666 /nfs/dbraw/zinc/34/36/66/463343666.db2.gz SXCDRIAVLAFCGY-HNNXBMFYSA-N 1 0 331.460 2.287 20 70 EEIDRO O=C(CCc1ccc(Cl)s1)NCC1CC[NH+](CCO)CC1 ZINC000160544374 463349473 /nfs/dbraw/zinc/34/94/73/463349473.db2.gz CLGYRAJTUGFOEC-UHFFFAOYSA-N 1 0 330.881 2.155 20 70 EEIDRO C[C@H]1CCc2c(C(=O)NCC3CC[NH+](CCO)CC3)csc2C1 ZINC000160688375 463362064 /nfs/dbraw/zinc/36/20/64/463362064.db2.gz VSDTUNXENPBJHH-ZDUSSCGKSA-N 1 0 336.501 2.307 20 70 EEIDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N1CCC(c2cc[nH]n2)CC1 ZINC000160871039 463378251 /nfs/dbraw/zinc/37/82/51/463378251.db2.gz KAOSVJFDRZKZMP-OAHLLOKOSA-N 1 0 331.464 2.316 20 70 EEIDRO CSCC[C@@H]([NH3+])C(=O)NCc1nc(-c2cccc(Cl)c2)no1 ZINC000160938341 463384356 /nfs/dbraw/zinc/38/43/56/463384356.db2.gz DWPYXJRXFJYRGL-LLVKDONJSA-N 1 0 340.836 2.087 20 70 EEIDRO Cc1cccc(-n2cc(C(=O)N[C@H](C)C[N@@H+]3CCC[C@H](C)C3)nn2)c1 ZINC000160969670 463386480 /nfs/dbraw/zinc/38/64/80/463386480.db2.gz NNNNLNLLYZCSNQ-JKSUJKDBSA-N 1 0 341.459 2.426 20 70 EEIDRO COc1ccc(CNC(=O)C[NH2+][C@@H](C)c2cnn(C(C)C)c2)cc1 ZINC000161011287 463390382 /nfs/dbraw/zinc/39/03/82/463390382.db2.gz KBBBUXDRAVIMCV-AWEZNQCLSA-N 1 0 330.432 2.440 20 70 EEIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cnn(-c2ccc(F)cc2F)c1C ZINC000161219150 463411778 /nfs/dbraw/zinc/41/17/78/463411778.db2.gz XJYMWKGXUHSQOX-ZDUSSCGKSA-N 1 0 334.370 2.283 20 70 EEIDRO CCOc1cc2c(cc1CNC(=O)[C@@]1(C)CCC[NH2+]C1)O[C@@H](C)C2 ZINC000161313446 463419250 /nfs/dbraw/zinc/41/92/50/463419250.db2.gz YOXCLGAHMAGHKP-DJJJIMSYSA-N 1 0 332.444 2.415 20 70 EEIDRO Cc1conc1NC(=O)C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000161192732 534754714 /nfs/dbraw/zinc/75/47/14/534754714.db2.gz VTZBVASXJOLYPS-GJZGRUSLSA-N 1 0 348.447 2.035 20 70 EEIDRO O=S(=O)(c1cccc(F)c1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160138534 534874063 /nfs/dbraw/zinc/87/40/63/534874063.db2.gz PGTBJDNLDVKTTA-HNNXBMFYSA-N 1 0 326.437 2.465 20 70 EEIDRO CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000159882581 528047135 /nfs/dbraw/zinc/04/71/35/528047135.db2.gz YAQPBICLCCCCET-AWEZNQCLSA-N 1 0 334.464 2.055 20 70 EEIDRO CCOc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)cc1 ZINC000159429706 528493214 /nfs/dbraw/zinc/49/32/14/528493214.db2.gz QEDDVCVSQOTTPL-HNNXBMFYSA-N 1 0 347.459 2.118 20 70 EEIDRO Cc1nc(-c2cnn(C)c2)sc1C(=O)NCC1([NH3+])CCCCC1 ZINC000159499738 255795873 /nfs/dbraw/zinc/79/58/73/255795873.db2.gz ZVVQKKBDHYRGAT-UHFFFAOYSA-N 1 0 333.461 2.243 20 70 EEIDRO C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000160549197 225432089 /nfs/dbraw/zinc/43/20/89/225432089.db2.gz MPAACMJOOFFTBQ-LNSITVRQSA-N 1 0 329.437 2.431 20 70 EEIDRO [NH3+][C@@H]1CCN(C(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)C1 ZINC000160319508 273984703 /nfs/dbraw/zinc/98/47/03/273984703.db2.gz BUOHUZRBBOBZRJ-LLVKDONJSA-N 1 0 325.199 2.352 20 70 EEIDRO C[NH2+]C[C@@H]1CCCN1C(=O)/C=C/c1cc(Cl)c2c(c1)OCCO2 ZINC000161163258 277276175 /nfs/dbraw/zinc/27/61/75/277276175.db2.gz SYSXCYUDSMKEHJ-IHVVCDCBSA-N 1 0 336.819 2.335 20 70 EEIDRO C[NH2+]C[C@H]1CCCN1C(=O)CSCc1cn2cc(C)ccc2n1 ZINC000161304385 277284026 /nfs/dbraw/zinc/28/40/26/277284026.db2.gz ISJJYTZRIGHXIP-OAHLLOKOSA-N 1 0 332.473 2.086 20 70 EEIDRO Cc1c(/C=C/C(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)cnn1C ZINC000161379522 278582192 /nfs/dbraw/zinc/58/21/92/278582192.db2.gz QUQFAIUAXSTLBM-ZGKFYVQTSA-N 1 0 326.444 2.469 20 70 EEIDRO C[C@@H]1Sc2ccc(C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)cc2NC1=O ZINC000160560099 279073617 /nfs/dbraw/zinc/07/36/17/279073617.db2.gz UHEJLPFYHIYGKR-WCFLWFBJSA-N 1 0 331.441 2.086 20 70 EEIDRO C[C@H](c1ccncc1)N(C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000159614564 290273953 /nfs/dbraw/zinc/27/39/53/290273953.db2.gz ZIVHAKHTRTZBGT-APWZRJJASA-N 1 0 340.471 2.494 20 70 EEIDRO CN(CC(C)(C)CN1CCOCC1)C(=O)CC[C@@H]1CCCCO1 ZINC000159748073 311345680 /nfs/dbraw/zinc/34/56/80/311345680.db2.gz UUTMCRULDZDUQL-INIZCTEOSA-N 1 0 326.481 2.153 20 70 EEIDRO CC[C@H](C(=O)NCC1CCN(C(=O)OC(C)(C)C)CC1)[NH+](C)C ZINC000159898716 311347800 /nfs/dbraw/zinc/34/78/00/311347800.db2.gz JLGSIWFAENIWBY-CQSZACIVSA-N 1 0 327.469 2.090 20 70 EEIDRO CC(C)[C@@H](CNC(=O)N1CCC[C@@](C)(O)C1)[NH+]1CCC(C)CC1 ZINC000160283958 311352220 /nfs/dbraw/zinc/35/22/20/311352220.db2.gz IAOSMBAIDUUBJT-SJLPKXTDSA-N 1 0 325.497 2.299 20 70 EEIDRO CC(=O)NCc1ccc(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)s1 ZINC000160590355 311355987 /nfs/dbraw/zinc/35/59/87/311355987.db2.gz YSLCSBUWBZBCQZ-CQSZACIVSA-N 1 0 337.489 2.234 20 70 EEIDRO CCN1CCCC[C@H]1C[NH2+][C@@H](C)Cn1cc(Br)cn1 ZINC000161185692 311363469 /nfs/dbraw/zinc/36/34/69/311363469.db2.gz JDKUVMGGDDXGMG-JSGCOSHPSA-N 1 0 329.286 2.498 20 70 EEIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccnn1C[C@H]1CCOC1 ZINC000159467642 463288880 /nfs/dbraw/zinc/28/88/80/463288880.db2.gz BZERZPNXUNSDTQ-HZPDHXFCSA-N 1 0 349.479 2.162 20 70 EEIDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NCCc1ccc(F)cc1F ZINC000159752552 463302307 /nfs/dbraw/zinc/30/23/07/463302307.db2.gz AZBSSHYVQQUUPK-INIZCTEOSA-N 1 0 325.403 2.489 20 70 EEIDRO C[C@@H]1OCCN(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)[C@H]1C ZINC000159829257 463306819 /nfs/dbraw/zinc/30/68/19/463306819.db2.gz XKGNBVVRDVIGIX-HOTGVXAUSA-N 1 0 331.460 2.254 20 70 EEIDRO O=S(=O)(N1CCCCCC1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160167938 463321072 /nfs/dbraw/zinc/32/10/72/463321072.db2.gz QHBHBUUUHBYIFZ-MRXNPFEDSA-N 1 0 329.510 2.058 20 70 EEIDRO CC(C)OC(=O)CCCNC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000160175698 463321413 /nfs/dbraw/zinc/32/14/13/463321413.db2.gz QRBCSINIUNBBQT-UHFFFAOYSA-N 1 0 327.469 2.092 20 70 EEIDRO CC[C@H]([NH2+]Cc1ccccc1CN1CCOCC1)c1cnn(C)c1 ZINC000160424149 463336847 /nfs/dbraw/zinc/33/68/47/463336847.db2.gz GXCXIJQLGSTDMH-IBGZPJMESA-N 1 0 328.460 2.493 20 70 EEIDRO Cc1ccc(OCC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000160579812 463352945 /nfs/dbraw/zinc/35/29/45/463352945.db2.gz LEKWTYQAPUXVFY-OALUTQOASA-N 1 0 346.471 2.258 20 70 EEIDRO CCCCOc1ccc(C(=O)NCC2CC[NH+](CCO)CC2)cc1 ZINC000160611701 463354998 /nfs/dbraw/zinc/35/49/98/463354998.db2.gz DDNYITXUOXSFTK-UHFFFAOYSA-N 1 0 334.460 2.300 20 70 EEIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccnc(Cl)c1 ZINC000160668276 463359808 /nfs/dbraw/zinc/35/98/08/463359808.db2.gz YCYJBTQDPPVANI-LSDHHAIUSA-N 1 0 337.851 2.233 20 70 EEIDRO O=C([C@@H]1CC(=O)N(c2ccccc2Cl)C1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160720502 463364795 /nfs/dbraw/zinc/36/47/95/463364795.db2.gz PEPKNYNTBJXLCD-MCIONIFRSA-N 1 0 347.846 2.046 20 70 EEIDRO O=C(CCCCCNC(=O)NC1CCCCC1)N1CCC[NH2+]CC1 ZINC000160851175 463377141 /nfs/dbraw/zinc/37/71/41/463377141.db2.gz VEWYIEIQGHFOSQ-UHFFFAOYSA-N 1 0 338.496 2.001 20 70 EEIDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cccc3c2oc(=O)n3C)C1 ZINC000160896915 463380575 /nfs/dbraw/zinc/38/05/75/463380575.db2.gz SBCIDYQJSLMVPS-ZDUSSCGKSA-N 1 0 345.443 2.372 20 70 EEIDRO CC(C)NC(=O)C[NH2+][C@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000160931921 463383899 /nfs/dbraw/zinc/38/38/99/463383899.db2.gz AHDWUYZKMXGPFC-CQSZACIVSA-N 1 0 330.432 2.174 20 70 EEIDRO CC[C@H](COC)[NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000160951431 463385116 /nfs/dbraw/zinc/38/51/16/463385116.db2.gz GNCVWGGVPMFRBY-IIDMSEBBSA-N 1 0 334.460 2.451 20 70 EEIDRO CC[NH2+]CC1CCN(C(=O)[C@H]2CCCN(C(=O)[C@H](C)CC)C2)CC1 ZINC000161025405 463392051 /nfs/dbraw/zinc/39/20/51/463392051.db2.gz ZEUBFMUSJXUXNU-WBVHZDCISA-N 1 0 337.508 2.119 20 70 EEIDRO COc1ccc(OC)c(CN2CCN(Cc3cncs3)CC2)c1 ZINC000161042432 463394451 /nfs/dbraw/zinc/39/44/51/463394451.db2.gz LWDKKIWIZUBZOR-UHFFFAOYSA-N 1 0 333.457 2.478 20 70 EEIDRO CCC(=O)N1CC[C@H](C(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)C1 ZINC000161154660 463405544 /nfs/dbraw/zinc/40/55/44/463405544.db2.gz FLJRFIYIIDYSMG-ROUUACIJSA-N 1 0 349.519 2.215 20 70 EEIDRO C[NH2+]C[C@@H]1CCCN1C(=O)CCCNC(=O)c1ccc(Cl)cc1 ZINC000161267847 463415095 /nfs/dbraw/zinc/41/50/95/463415095.db2.gz DJAHCYKZYBJROE-HNNXBMFYSA-N 1 0 337.851 2.060 20 70 EEIDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCC[C@@H](CO)C2)CC1 ZINC000161295976 463417263 /nfs/dbraw/zinc/41/72/63/463417263.db2.gz BMPKWYWLPROGNZ-JKSUJKDBSA-N 1 0 346.475 2.021 20 70 EEIDRO CC[C@@H](C)[N@H+](C)CCNC(=O)CCCOc1ccc2c(c1)OCO2 ZINC000161388501 463427898 /nfs/dbraw/zinc/42/78/98/463427898.db2.gz JJGJMHJDUVQWDN-CQSZACIVSA-N 1 0 336.432 2.421 20 70 EEIDRO CCCCNC(=O)c1ccc(CNC(=O)[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000161458198 463432506 /nfs/dbraw/zinc/43/25/06/463432506.db2.gz LPJUUMSVEATGEV-IBGZPJMESA-N 1 0 331.460 2.222 20 70 EEIDRO C[C@@H](O)C[C@H](C)CNC(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160006946 533756022 /nfs/dbraw/zinc/75/60/22/533756022.db2.gz PUEOYANCANSKMO-LISAXSMJSA-N 1 0 333.476 2.356 20 70 EEIDRO COc1cccc([C@H](C)CC(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000159904647 533766548 /nfs/dbraw/zinc/76/65/48/533766548.db2.gz DMFXGDMKADASDL-NVXWUHKLSA-N 1 0 334.460 2.152 20 70 EEIDRO C[C@@H](Oc1cccc(Cl)c1)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160125389 533944923 /nfs/dbraw/zinc/94/49/23/533944923.db2.gz YTFYDEPKVIAFPX-UKRRQHHQSA-N 1 0 340.851 2.070 20 70 EEIDRO C[C@@H](CNC(=O)c1csc(S(C)(=O)=O)c1)C[NH+]1CCCCC1 ZINC000159490966 534050994 /nfs/dbraw/zinc/05/09/94/534050994.db2.gz AMPXOEZMEFDSFD-LBPRGKRZSA-N 1 0 344.502 2.003 20 70 EEIDRO Cc1cccc(NC(=O)NC(=O)C[N@H+](C)C[C@H]2CCC[C@@H]2O)c1C ZINC000159786493 534743877 /nfs/dbraw/zinc/74/38/77/534743877.db2.gz AFLTZQUMTXVEKL-ZBFHGGJFSA-N 1 0 333.432 2.044 20 70 EEIDRO CCCNC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3ccc(C)cc3)C2=O)C1 ZINC000159876076 528432184 /nfs/dbraw/zinc/43/21/84/528432184.db2.gz YYPAOEWYGLCCDP-SJLPKXTDSA-N 1 0 343.471 2.339 20 70 EEIDRO CC[N@@H+]1CCCN(C(=O)NCCCN2CCc3ccccc32)CC1 ZINC000159626431 529024872 /nfs/dbraw/zinc/02/48/72/529024872.db2.gz ANWQLUGHYAOADF-UHFFFAOYSA-N 1 0 330.476 2.176 20 70 EEIDRO CCc1ccc([C@H](C)CC(=O)NC[C@@H](C)N2CC[NH+](C)CC2)cc1 ZINC000160158048 529719488 /nfs/dbraw/zinc/71/94/88/529719488.db2.gz UKJOPOUCHLKCSW-IAGOWNOFSA-N 1 0 331.504 2.495 20 70 EEIDRO CN(C)c1ccc(C[NH2+][C@@H](CN2CCOCC2)c2ccccc2)cn1 ZINC000159645253 539517492 /nfs/dbraw/zinc/51/74/92/539517492.db2.gz SCUVEIAPPZJJEN-IBGZPJMESA-N 1 0 340.471 2.311 20 70 EEIDRO Cc1nccc(NC(=O)NCCN2CCC([NH+](C)C)CC2)c1Cl ZINC000160015320 539519677 /nfs/dbraw/zinc/51/96/77/539519677.db2.gz IZXNUVXAJWCQPX-UHFFFAOYSA-N 1 0 339.871 2.191 20 70 EEIDRO O=C(NC1CC1)[C@H](c1ccccc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161359006 539527478 /nfs/dbraw/zinc/52/74/78/539527478.db2.gz XXNLYSQXOOTOJQ-IBGZPJMESA-N 1 0 336.439 2.224 20 70 EEIDRO CC(C)CC(=O)NCCC(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000160674900 159714433 /nfs/dbraw/zinc/71/44/33/159714433.db2.gz AVZTXPNFDVZMNT-HZPDHXFCSA-N 1 0 325.497 2.023 20 70 EEIDRO CN(CCc1nccs1)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000159496164 225228992 /nfs/dbraw/zinc/22/89/92/225228992.db2.gz XNEASBVXTDODRE-MRXNPFEDSA-N 1 0 346.500 2.037 20 70 EEIDRO C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159841286 225288671 /nfs/dbraw/zinc/28/86/71/225288671.db2.gz YRRQMUIUOPHBRQ-YCPHGPKFSA-N 1 0 348.443 2.268 20 70 EEIDRO C[C@H](SCCN1CCOCC1)C(=O)N1CCc2sccc2C1 ZINC000159871466 225294569 /nfs/dbraw/zinc/29/45/69/225294569.db2.gz PTHZQPUBVGNADK-ZDUSSCGKSA-N 1 0 340.514 2.087 20 70 EEIDRO CC(C)[C@H](CNC(=O)N[C@@H]1CCc2n[nH]cc2C1)[NH+]1CCC(C)CC1 ZINC000160112895 277894319 /nfs/dbraw/zinc/89/43/19/277894319.db2.gz GOZGOJGKVNEXDY-AEFFLSMTSA-N 1 0 347.507 2.323 20 70 EEIDRO Cc1noc(CNC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)n1 ZINC000159701713 311344784 /nfs/dbraw/zinc/34/47/84/311344784.db2.gz PGPYGNPDIILXLN-UHFFFAOYSA-N 1 0 335.452 2.176 20 70 EEIDRO CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000160677217 311357300 /nfs/dbraw/zinc/35/73/00/311357300.db2.gz RSSRYKIWZMADDJ-GJZGRUSLSA-N 1 0 341.496 2.336 20 70 EEIDRO C[NH+](C)CCN(C(=O)NCCCNc1ccccn1)C1CCCC1 ZINC000160681743 311357408 /nfs/dbraw/zinc/35/74/08/311357408.db2.gz CYONAQGBGKJEOO-UHFFFAOYSA-N 1 0 333.480 2.399 20 70 EEIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1cc(-c2ccccc2)c(C)[nH]c1=O ZINC000161323878 311364757 /nfs/dbraw/zinc/36/47/57/311364757.db2.gz XULWTDOLKDDLLW-OAHLLOKOSA-N 1 0 325.412 2.174 20 70 EEIDRO CC[NH+](CC)CCOc1ccc(NC(=O)NCc2nc(C)no2)cc1 ZINC000160132098 463320408 /nfs/dbraw/zinc/32/04/08/463320408.db2.gz QQQPWEOTJNGDES-UHFFFAOYSA-N 1 0 347.419 2.420 20 70 EEIDRO CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)NCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC000160255415 463325158 /nfs/dbraw/zinc/32/51/58/463325158.db2.gz OXWCJLUJOWWOBQ-YESZJQIVSA-N 1 0 337.508 2.119 20 70 EEIDRO CC(C)CC(=O)NCCC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000160298769 463326806 /nfs/dbraw/zinc/32/68/06/463326806.db2.gz HOIVODJYRHVPSU-SFHVURJKSA-N 1 0 345.487 2.320 20 70 EEIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)NC(=O)C1CCCCC1 ZINC000160404162 463335978 /nfs/dbraw/zinc/33/59/78/463335978.db2.gz CTVBAWMTHJDNBP-DOTOQJQBSA-N 1 0 337.508 2.308 20 70 EEIDRO C[C@@H](CNC(=O)c1cccc(-c2nc[nH]n2)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000160460300 463339861 /nfs/dbraw/zinc/33/98/61/463339861.db2.gz UICCDUFITJSMEK-KGLIPLIRSA-N 1 0 327.432 2.322 20 70 EEIDRO CC(C)N(CCS(C)(=O)=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000160649375 463358541 /nfs/dbraw/zinc/35/85/41/463358541.db2.gz LSXFNIYAIMZQSY-UHFFFAOYSA-N 1 0 341.477 2.035 20 70 EEIDRO CCC[C@@H]1CN(C(=O)NCc2ccccc2OCC[NH+](C)C)CCO1 ZINC000160770598 463369557 /nfs/dbraw/zinc/36/95/57/463369557.db2.gz NDXOBVZDUZIFPW-QGZVFWFLSA-N 1 0 349.475 2.338 20 70 EEIDRO CC[C@H]1Oc2cc([C@H](C)NC(=O)[C@H]3CCCC[NH2+]3)ccc2NC1=O ZINC000161364524 463425782 /nfs/dbraw/zinc/42/57/82/463425782.db2.gz WJQLTLKQPVQZMB-NILFDRSVSA-N 1 0 331.416 2.115 20 70 EEIDRO C[C@@H](CNC(=O)c1ccc(C(=O)NC2CC2)cc1)[NH+]1CCC(C)CC1 ZINC000161382369 463426202 /nfs/dbraw/zinc/42/62/02/463426202.db2.gz BTYVLJUBGBWLAL-HNNXBMFYSA-N 1 0 343.471 2.429 20 70 EEIDRO COc1cc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc(OC)c1OC(F)F ZINC000161451409 463430675 /nfs/dbraw/zinc/43/06/75/463430675.db2.gz OXZXEASPRMYBDZ-MNOVXSKESA-N 1 0 344.358 2.305 20 70 EEIDRO O=C(C[NH2+]C[C@@H]1CCCO1)Nc1ccc(OCC2CCOCC2)cc1 ZINC000159413583 534593535 /nfs/dbraw/zinc/59/35/35/534593535.db2.gz CVKPRPGAVJZXSA-SFHVURJKSA-N 1 0 348.443 2.199 20 70 EEIDRO CC(C)(C)C(=O)N1CCC(C[N@H+](CCO)Cc2cccnc2)CC1 ZINC000160211131 527569020 /nfs/dbraw/zinc/56/90/20/527569020.db2.gz UFJNLTONGLJFFI-UHFFFAOYSA-N 1 0 333.476 2.161 20 70 EEIDRO CC[NH+](CC)CCCCNC(=O)c1csc(S(C)(=O)=O)c1 ZINC000161058928 528100139 /nfs/dbraw/zinc/10/01/39/528100139.db2.gz TWYXZEBIWZNUTD-UHFFFAOYSA-N 1 0 332.491 2.003 20 70 EEIDRO CC1CC[NH+](Cc2cccc(CNC(=O)C[C@@H]3COC(=O)C3)c2)CC1 ZINC000160261332 528256073 /nfs/dbraw/zinc/25/60/73/528256073.db2.gz MSTPJTFYLDIQCM-SFHVURJKSA-N 1 0 344.455 2.488 20 70 EEIDRO CC[C@H](C)c1ccccc1N1C[C@H](C(=O)NCC(C)(C)[NH3+])CC1=O ZINC000160016879 529274783 /nfs/dbraw/zinc/27/47/83/529274783.db2.gz YRVIVLRROHZXQU-UONOGXRCSA-N 1 0 331.460 2.407 20 70 EEIDRO Cc1ccc(NC(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)cn1 ZINC000161471463 539527975 /nfs/dbraw/zinc/52/79/75/539527975.db2.gz NVSMRYNDMGNHDA-CALCHBBNSA-N 1 0 345.491 2.412 20 70 EEIDRO COc1cccc(CC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1 ZINC000160756372 533446355 /nfs/dbraw/zinc/44/63/55/533446355.db2.gz GEYPQTSMOCSIED-RTBURBONSA-N 1 0 346.471 2.122 20 70 EEIDRO Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)O)c(Br)c1 ZINC000159532091 225234144 /nfs/dbraw/zinc/23/41/44/225234144.db2.gz OJLDBYLIAFUYGC-GHMZBOCLSA-N 1 0 329.238 2.397 20 70 EEIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@H]1C[C@H]1c1ccc(F)cc1F ZINC000160366034 225398482 /nfs/dbraw/zinc/39/84/82/225398482.db2.gz SUKWNBPFFCYTHZ-BPUTZDHNSA-N 1 0 338.398 2.031 20 70 EEIDRO Cc1c(CNC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cnn1C ZINC000160377675 225399343 /nfs/dbraw/zinc/39/93/43/225399343.db2.gz FHNPUVMXIZJQFB-GOSISDBHSA-N 1 0 341.459 2.192 20 70 EEIDRO Cn1c2cc(C(=O)NC3CC[NH+](C4CCCC4)CC3)ccc2[nH]c1=O ZINC000160957967 225514322 /nfs/dbraw/zinc/51/43/22/225514322.db2.gz BSOAXGGQRVMSAM-UHFFFAOYSA-N 1 0 342.443 2.003 20 70 EEIDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N(C)CC1CCOCC1 ZINC000159773723 311346061 /nfs/dbraw/zinc/34/60/61/311346061.db2.gz VNUYCDYNUQEHCT-BZUAXINKSA-N 1 0 325.497 2.421 20 70 EEIDRO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1ccc(C(C)(C)C(N)=O)cc1 ZINC000159832517 463306466 /nfs/dbraw/zinc/30/64/66/463306466.db2.gz ZUTGBEULYCRRLT-ZDUSSCGKSA-N 1 0 334.464 2.301 20 70 EEIDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1C[C@H](C)OC[C@@H]1C ZINC000159988332 463314405 /nfs/dbraw/zinc/31/44/05/463314405.db2.gz RGSLRLIWYDILOF-OVWQWFNUSA-N 1 0 331.460 2.326 20 70 EEIDRO CC[NH+]1CCN([C@@H]2CCN(Cc3noc(C4CCCCC4)n3)C2)CC1 ZINC000160050546 463317587 /nfs/dbraw/zinc/31/75/87/463317587.db2.gz NCFDUUPJHUYORJ-QGZVFWFLSA-N 1 0 347.507 2.329 20 70 EEIDRO Cn1cnc2cc(C(=O)NCCCCC[NH+]3CCCCC3)cnc21 ZINC000160467912 463341088 /nfs/dbraw/zinc/34/10/88/463341088.db2.gz GOBXXBPPOHFQEO-UHFFFAOYSA-N 1 0 329.448 2.354 20 70 EEIDRO CCC([NH3+])(CC)CNC(=O)CNC(=O)Cc1cccc2ccccc21 ZINC000160488444 463342281 /nfs/dbraw/zinc/34/22/81/463342281.db2.gz WXMATXPMOJLIAU-UHFFFAOYSA-N 1 0 341.455 2.132 20 70 EEIDRO CCC([NH3+])(CC)CNC(=O)CN1CCOc2ccc(Cl)cc21 ZINC000160542181 463347710 /nfs/dbraw/zinc/34/77/10/463347710.db2.gz IDIRDICASNWMHG-UHFFFAOYSA-N 1 0 325.840 2.173 20 70 EEIDRO C[C@@H](SCc1ccccc1)C(=O)NCC1CC[NH+](CCO)CC1 ZINC000160544219 463349171 /nfs/dbraw/zinc/34/91/71/463349171.db2.gz PUHVIOQEEHDFTE-OAHLLOKOSA-N 1 0 336.501 2.129 20 70 EEIDRO O=C(Cc1ccc2c(c1)CCCC2)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160554229 463349281 /nfs/dbraw/zinc/34/92/81/463349281.db2.gz BZYUSEBEOQBIMZ-LJQANCHMSA-N 1 0 330.472 2.071 20 70 EEIDRO C[C@@H](CCOc1ccccc1)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160629839 463356596 /nfs/dbraw/zinc/35/65/96/463356596.db2.gz DPPWFWRVTAKMOH-DLBZAZTESA-N 1 0 334.460 2.055 20 70 EEIDRO C[C@@H](CNC(=O)N1CCCN(CC(F)F)CC1)C[NH+]1CCCCC1 ZINC000160706474 463363684 /nfs/dbraw/zinc/36/36/84/463363684.db2.gz KOUVGNCCBQAJRQ-HNNXBMFYSA-N 1 0 346.466 2.091 20 70 EEIDRO CCCc1c(C(=O)N2CC[C@@H]([NH2+]C)C2)cnn1Cc1ccccc1 ZINC000160794948 463371622 /nfs/dbraw/zinc/37/16/22/463371622.db2.gz OZSPGQZUTQDATR-MRXNPFEDSA-N 1 0 326.444 2.318 20 70 EEIDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cccc2c1oc(=O)n2C ZINC000160992872 463389140 /nfs/dbraw/zinc/38/91/40/463389140.db2.gz WLIGAMFXBQUSPK-HZSPNIEDSA-N 1 0 345.443 2.228 20 70 EEIDRO CC(C)c1n[nH]c(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)c1Br ZINC000161298615 463416804 /nfs/dbraw/zinc/41/68/04/463416804.db2.gz YALIAGUJBWPFQJ-IUCAKERBSA-N 1 0 329.242 2.295 20 70 EEIDRO CC(C)CC(=O)NCCC(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000161418832 463429994 /nfs/dbraw/zinc/42/99/94/463429994.db2.gz NKBUNQYMIOMIFZ-QAPCUYQASA-N 1 0 325.497 2.166 20 70 EEIDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H](C)CC(C)(C)OC)c1 ZINC000161442180 463430986 /nfs/dbraw/zinc/43/09/86/463430986.db2.gz ODSYJVQKTIWHOD-CHWSQXEVSA-N 1 0 328.478 2.449 20 70 EEIDRO CCN(CC)C(=O)C[N@H+](C)C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000159571238 528015400 /nfs/dbraw/zinc/01/54/00/528015400.db2.gz CIFKXNXGLMRCGZ-OAHLLOKOSA-N 1 0 346.393 2.409 20 70 EEIDRO CC[N@@H+]1CCCN(C(=O)NCc2ccccc2-n2ccnc2)CC1 ZINC000159745561 529029429 /nfs/dbraw/zinc/02/94/29/529029429.db2.gz MVQSGEMCDCCEMN-UHFFFAOYSA-N 1 0 327.432 2.110 20 70 EEIDRO CCc1ccc([C@@H](CNC(=O)N2CCC[C@](C)(O)C2)[NH+](C)C)cc1 ZINC000159865999 529708701 /nfs/dbraw/zinc/70/87/01/529708701.db2.gz ZRGMWKFTEJCZAX-MJGOQNOKSA-N 1 0 333.476 2.408 20 70 EEIDRO COc1ccc(-c2cnc(CCC(=O)N3CCC[C@H]3C[NH3+])o2)cc1 ZINC000160125033 533184152 /nfs/dbraw/zinc/18/41/52/533184152.db2.gz YDRMBVDNNBSIHY-AWEZNQCLSA-N 1 0 329.400 2.233 20 70 EEIDRO CC(C)OCc1cccc(CNC(=O)C[N@@H+]2CCCC[C@@H]2CO)c1 ZINC000159938801 143804574 /nfs/dbraw/zinc/80/45/74/143804574.db2.gz LEDPYOGSNLCNLR-GOSISDBHSA-N 1 0 334.460 2.075 20 70 EEIDRO CCn1nccc1C[NH2+]C[C@@H](c1ccc(OC)cc1)N1CCOCC1 ZINC000159882924 225295218 /nfs/dbraw/zinc/29/52/18/225295218.db2.gz NVTPEWFTLSRBOM-IBGZPJMESA-N 1 0 344.459 2.075 20 70 EEIDRO Cc1cc(Br)ccc1SCC(=O)N1CC[C@@H]([NH3+])C1 ZINC000160220933 225364491 /nfs/dbraw/zinc/36/44/91/225364491.db2.gz LVDQCRZULJQKHI-LLVKDONJSA-N 1 0 329.263 2.409 20 70 EEIDRO C[N@@H+]1CC[C@H](CNC(=O)Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000160105447 311350111 /nfs/dbraw/zinc/35/01/11/311350111.db2.gz KEQNHEWVEFESOB-QGZVFWFLSA-N 1 0 339.439 2.271 20 70 EEIDRO CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@@](C)(O)C1)Cc1ccccc1 ZINC000160287060 311352864 /nfs/dbraw/zinc/35/28/64/311352864.db2.gz AGEGIRRZYFORHC-UYAOXDASSA-N 1 0 347.503 2.496 20 70 EEIDRO Cc1ccoc1C(=O)NCCCNC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000160383112 311353970 /nfs/dbraw/zinc/35/39/70/311353970.db2.gz UYRYKGHOVWKSIG-MRXNPFEDSA-N 1 0 343.427 2.304 20 70 EEIDRO COc1cccc(COCCNC(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000160618861 311356673 /nfs/dbraw/zinc/35/66/73/311356673.db2.gz MGUXMZWQGWVECU-YJBOKZPZSA-N 1 0 349.475 2.193 20 70 EEIDRO CC[N@@H+]1CCCN(C(=O)NCCCC[NH+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000159639286 463296876 /nfs/dbraw/zinc/29/68/76/463296876.db2.gz GCHJXTUBBQLSSH-HDICACEKSA-N 1 0 338.540 2.482 20 70 EEIDRO CCN(CC)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-n2c(C)c[nH]c2=O)cc1 ZINC000159880539 463308917 /nfs/dbraw/zinc/30/89/17/463308917.db2.gz QTOOKOXSJBPPRR-GJZGRUSLSA-N 1 0 344.459 2.382 20 70 EEIDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N[C@H]1CC[C@@H](CO)CC1 ZINC000159994666 463314011 /nfs/dbraw/zinc/31/40/11/463314011.db2.gz ZPYDXIBITHSLOX-NXWXRZEISA-N 1 0 345.487 2.357 20 70 EEIDRO COc1cc([C@@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)cc(OC)c1OC ZINC000160414956 463336803 /nfs/dbraw/zinc/33/68/03/463336803.db2.gz VUFPNLRIGKDBFO-RISCZKNCSA-N 1 0 346.431 2.278 20 70 EEIDRO C[C@H](Oc1ccccc1Cl)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160421946 463337062 /nfs/dbraw/zinc/33/70/62/463337062.db2.gz JSSXEIAYPADOFP-UONOGXRCSA-N 1 0 340.851 2.070 20 70 EEIDRO O=S(=O)(c1ccc(C[NH2+][C@H]2CCSC2)cc1)N1CCCC1 ZINC000160415516 463337127 /nfs/dbraw/zinc/33/71/27/463337127.db2.gz GMXOLWBRSXXCEF-AWEZNQCLSA-N 1 0 326.487 2.066 20 70 EEIDRO CC[C@H](C)C[N@H+](CC)[C@@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000160567529 463350012 /nfs/dbraw/zinc/35/00/12/463350012.db2.gz WQJBGFBOIHUSAA-STQMWFEESA-N 1 0 341.477 2.029 20 70 EEIDRO C[NH2+][C@@H]1CCN(C(=O)Cc2csc(Cc3ccc(F)cc3)n2)C1 ZINC000160618946 463356779 /nfs/dbraw/zinc/35/67/79/463356779.db2.gz KAWSZCRTNQHJLT-CQSZACIVSA-N 1 0 333.432 2.236 20 70 EEIDRO C[C@@]1(C(=O)NCC2CC[NH+](CCO)CC2)CCCc2ccccc21 ZINC000160637816 463358113 /nfs/dbraw/zinc/35/81/13/463358113.db2.gz PKRWLNJYGXEESV-HXUWFJFHSA-N 1 0 330.472 2.101 20 70 EEIDRO CCCOc1cn(-c2ccccc2)nc1C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000160761840 463368528 /nfs/dbraw/zinc/36/85/28/463368528.db2.gz HFWGDXSENUHLCB-CQSZACIVSA-N 1 0 328.416 2.095 20 70 EEIDRO CN(Cc1cc2c(cc1OC(F)F)OCO2)C(=O)C[C@H]1CCC[NH2+]1 ZINC000160767596 463369214 /nfs/dbraw/zinc/36/92/14/463369214.db2.gz GFJKLYPVDJHZCZ-LLVKDONJSA-N 1 0 342.342 2.117 20 70 EEIDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)N1CCC(c2cc[nH]n2)CC1 ZINC000160871156 463378363 /nfs/dbraw/zinc/37/83/63/463378363.db2.gz KAOSVJFDRZKZMP-HNNXBMFYSA-N 1 0 331.464 2.316 20 70 EEIDRO CC(C)[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1 ZINC000160980529 463388539 /nfs/dbraw/zinc/38/85/39/463388539.db2.gz ANGSNUBJBKDBDO-IAGOWNOFSA-N 1 0 331.460 2.206 20 70 EEIDRO CC[C@H]([NH2+][C@H](C)C(=O)NC(=O)NC1CC1)c1ccc(F)cc1F ZINC000161026633 463392654 /nfs/dbraw/zinc/39/26/54/463392654.db2.gz SFRSWQUOQHKRFY-OTYXRUKQSA-N 1 0 325.359 2.382 20 70 EEIDRO Cn1cnc(-c2ccc(NC(=O)NCCC3CC[NH+](C)CC3)cc2)n1 ZINC000161035068 463392727 /nfs/dbraw/zinc/39/27/27/463392727.db2.gz YSGVQFRGGNZKNE-UHFFFAOYSA-N 1 0 342.447 2.336 20 70 EEIDRO CNS(=O)(=O)c1ccc([C@@H](C)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000161131343 463402108 /nfs/dbraw/zinc/40/21/08/463402108.db2.gz NWIXPNRJLPTYLR-KBMXLJTQSA-N 1 0 339.505 2.118 20 70 EEIDRO CCc1ncc(NC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)cn1 ZINC000161184355 463407830 /nfs/dbraw/zinc/40/78/30/463407830.db2.gz NIRSQIUUJAMMTC-INIZCTEOSA-N 1 0 327.432 2.333 20 70 EEIDRO C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000161331760 463421850 /nfs/dbraw/zinc/42/18/50/463421850.db2.gz ZHWMNMALZXVWNE-YOEHRIQHSA-N 1 0 345.487 2.313 20 70 EEIDRO CC[C@H]1Oc2cc([C@H](C)NC(=O)CC3CC[NH2+]CC3)ccc2NC1=O ZINC000161375117 463426766 /nfs/dbraw/zinc/42/67/66/463426766.db2.gz DTILBFXDDMXVFD-BLLLJJGKSA-N 1 0 345.443 2.363 20 70 EEIDRO CCn1cc([C@H](C)[NH2+][C@H](C)c2cccc(S(=O)(=O)NC)c2)cn1 ZINC000161457831 463431766 /nfs/dbraw/zinc/43/17/66/463431766.db2.gz RKZHJXSUOYJGNR-OLZOCXBDSA-N 1 0 336.461 2.223 20 70 EEIDRO CC(C)COc1cn(-c2ccccc2)nc1C(=O)N1CCC[C@@H]1C[NH3+] ZINC000160325466 528189329 /nfs/dbraw/zinc/18/93/29/528189329.db2.gz QYHXUYKZGGDXBR-MRXNPFEDSA-N 1 0 342.443 2.470 20 70 EEIDRO CCC(CC)(C[NH3+])C(=O)N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000161184402 528649517 /nfs/dbraw/zinc/64/95/17/528649517.db2.gz NFFOCQBZISDVLB-HNNXBMFYSA-N 1 0 337.508 2.249 20 70 EEIDRO C[N@@H+](CC(=O)N(Cc1ccco1)CC(F)(F)F)C[C@H]1CCC[C@@H]1O ZINC000159513821 529826295 /nfs/dbraw/zinc/82/62/95/529826295.db2.gz BPFMVCQIAWFZHY-OCCSQVGLSA-N 1 0 348.365 2.263 20 70 EEIDRO CCC[C@@H]1CN(C(=O)Nc2cnc(C3CC3)nc2)CC[N@@H+]1CCOC ZINC000161243043 539526221 /nfs/dbraw/zinc/52/62/21/539526221.db2.gz WDQSEUCTXSPFJL-MRXNPFEDSA-N 1 0 347.463 2.319 20 70 EEIDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)C[C@H]1COC(=O)C1 ZINC000159692141 225261818 /nfs/dbraw/zinc/26/18/18/225261818.db2.gz AKZLQGBDOOWEPC-YQQAZPJKSA-N 1 0 344.455 2.212 20 70 EEIDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cccc3[nH]c(=O)oc32)C1 ZINC000160691212 311357268 /nfs/dbraw/zinc/35/72/68/311357268.db2.gz KMPAPQDNOOBTRS-LBPRGKRZSA-N 1 0 331.416 2.361 20 70 EEIDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)CCNC(=O)C1CCCCC1 ZINC000160968892 311360398 /nfs/dbraw/zinc/36/03/98/311360398.db2.gz DJPPLAIEWDRNCC-JKSUJKDBSA-N 1 0 337.508 2.310 20 70 EEIDRO Cc1ccc(F)c(C[N@@H+]2CCCC[C@H]2CCNS(C)(=O)=O)c1 ZINC000159373841 463282890 /nfs/dbraw/zinc/28/28/90/463282890.db2.gz HXJDHJOYJNAHEC-HNNXBMFYSA-N 1 0 328.453 2.428 20 70 EEIDRO C[C@@H](NC(=O)CC1CCCCC1)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159861444 463307843 /nfs/dbraw/zinc/30/78/43/463307843.db2.gz UIRDZMKVLABYKY-OAHLLOKOSA-N 1 0 349.519 2.452 20 70 EEIDRO COc1ccc2c(c1)OC[C@@H](C(=O)N1CCC([NH2+]CC3CC3)CC1)C2 ZINC000159860470 463308371 /nfs/dbraw/zinc/30/83/71/463308371.db2.gz ATRXYZDHRAIHCK-INIZCTEOSA-N 1 0 344.455 2.237 20 70 EEIDRO CC(C)([NH3+])CNC(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000159939519 463311548 /nfs/dbraw/zinc/31/15/48/463311548.db2.gz RREWFILIFBQEGF-SNVBAGLBSA-N 1 0 344.242 2.200 20 70 EEIDRO Cc1cccc([C@H]2CCC[N@@H+]2CCN2C(=O)NC3(CCCC3)C2=O)n1 ZINC000160025310 463315481 /nfs/dbraw/zinc/31/54/81/463315481.db2.gz RFNPIYBUWXWSMU-MRXNPFEDSA-N 1 0 342.443 2.392 20 70 EEIDRO CCC1(CC)[C@H]([NH2+][C@@H]2CCCN(c3ccn(C)n3)C2=O)C[C@@H]1OC ZINC000160109156 463318128 /nfs/dbraw/zinc/31/81/28/463318128.db2.gz NJEXOZBMPTUZME-KFWWJZLASA-N 1 0 334.464 2.099 20 70 EEIDRO C[C@@H](CNC(=O)c1ccc(C(=O)NC2CC2)cc1)C[NH+]1CCCCC1 ZINC000160529723 463347136 /nfs/dbraw/zinc/34/71/36/463347136.db2.gz AMBWUHVWMNUGHG-HNNXBMFYSA-N 1 0 343.471 2.431 20 70 EEIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cc(F)c(F)cc1Cl ZINC000160604570 463354672 /nfs/dbraw/zinc/35/46/72/463354672.db2.gz BJJPJLINDJCSEA-SNVBAGLBSA-N 1 0 332.778 2.195 20 70 EEIDRO CCCCS(=O)(=O)Nc1ccc(NC(=O)C[C@@H]2CCC[NH2+]2)cc1 ZINC000160663218 463359706 /nfs/dbraw/zinc/35/97/06/463359706.db2.gz UEBDQYFMBSSWPH-HNNXBMFYSA-N 1 0 339.461 2.309 20 70 EEIDRO CCCCS(=O)(=O)Nc1ccc(NC(=O)CC2([NH3+])CCC2)cc1 ZINC000160663495 463360026 /nfs/dbraw/zinc/36/00/26/463360026.db2.gz JLPZBLFKUBTRTO-UHFFFAOYSA-N 1 0 339.461 2.438 20 70 EEIDRO O=C(Cc1cccc(C(F)(F)F)c1)NCC1CC[NH+](CCO)CC1 ZINC000160687348 463362807 /nfs/dbraw/zinc/36/28/07/463362807.db2.gz FLLLEVZGCXVOBI-UHFFFAOYSA-N 1 0 344.377 2.068 20 70 EEIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2ncoc2-c2ccc3c(c2)OCCO3)C1 ZINC000160754475 463367931 /nfs/dbraw/zinc/36/79/31/463367931.db2.gz TYBPHBDXWRHNIQ-CHWSQXEVSA-N 1 0 343.383 2.113 20 70 EEIDRO C[NH+](C)CCC1CCN(C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000160896610 463380946 /nfs/dbraw/zinc/38/09/46/463380946.db2.gz PRPJFCAVZZNULP-ZACQAIPSSA-N 1 0 335.492 2.317 20 70 EEIDRO C[C@H](NC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(NC(N)=O)cc1 ZINC000161075898 463397276 /nfs/dbraw/zinc/39/72/76/463397276.db2.gz AFJWHCXJCZQVPE-STQMWFEESA-N 1 0 345.447 2.022 20 70 EEIDRO C[C@H](NC(=O)N1CCC([N@H+](C)CCO)CC1)c1ccc(F)c(F)c1 ZINC000161108336 463400688 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C[NH2+]C[C@H]1CCCN1C(=O)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000161262795 255802763 /nfs/dbraw/zinc/80/27/63/255802763.db2.gz XTUSYTOZKBVXIM-OAHLLOKOSA-N 1 0 326.400 2.438 20 70 EEIDRO C[C@@H]([NH2+]CCN1C(=O)CNC1=O)C(c1ccccc1)c1ccccc1 ZINC000159642320 533394109 /nfs/dbraw/zinc/39/41/09/533394109.db2.gz KRJCMDXYEDYEBA-OAHLLOKOSA-N 1 0 337.423 2.348 20 70 EEIDRO CC[C@@H](O)CCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000160749090 280200077 /nfs/dbraw/zinc/20/00/77/280200077.db2.gz LBPNNLLBZAJCGR-KGLIPLIRSA-N 1 0 325.478 2.345 20 70 EEIDRO COCC[N@H+](C)CCCC1CCN(C(=O)Nc2ccn(C)n2)CC1 ZINC000160754362 311358352 /nfs/dbraw/zinc/35/83/52/311358352.db2.gz SQCSNCCCTGPHGS-UHFFFAOYSA-N 1 0 337.468 2.022 20 70 EEIDRO COCCN(CCCOc1ccc(F)cc1)C(=O)[C@H]1CCC[NH2+]C1 ZINC000159378458 463282693 /nfs/dbraw/zinc/28/26/93/463282693.db2.gz NYOHKTHIJNJTCL-HNNXBMFYSA-N 1 0 338.423 2.069 20 70 EEIDRO CN(C(=O)CCCOc1ccc2c(c1)OCO2)[C@@H]1CCC[N@H+](C)C1 ZINC000159906721 463310436 /nfs/dbraw/zinc/31/04/36/463310436.db2.gz VIMKRJLEVMRRFV-CQSZACIVSA-N 1 0 334.416 2.127 20 70 EEIDRO C[NH+](C)Cc1ccc(C(=O)NCc2ccnc(-n3cccn3)c2)cc1 ZINC000159962727 463312585 /nfs/dbraw/zinc/31/25/85/463312585.db2.gz WORBSHRUCKCIJL-UHFFFAOYSA-N 1 0 335.411 2.259 20 70 EEIDRO CCC[C@](C)(CO)NC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000160023891 463316076 /nfs/dbraw/zinc/31/60/76/463316076.db2.gz XXTNEVRRIJYWCO-VDZJLULYSA-N 1 0 333.476 2.357 20 70 EEIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@@H]1C[C@H]1c1ccco1 ZINC000160361091 463331214 /nfs/dbraw/zinc/33/12/14/463331214.db2.gz GSHQAJLYHNEZNB-VQHPVUNQSA-N 1 0 332.444 2.267 20 70 EEIDRO COCCOc1ccc([C@@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)cc1 ZINC000160392758 463334492 /nfs/dbraw/zinc/33/44/92/463334492.db2.gz AUCGLTJDPYLWPQ-CZUORRHYSA-N 1 0 330.432 2.277 20 70 EEIDRO C[C@H]1CCc2sc(C(=O)NCC3CC[NH+](CCO)CC3)cc2C1 ZINC000160575413 463351048 /nfs/dbraw/zinc/35/10/48/463351048.db2.gz DVNRAIFGOULMQP-ZDUSSCGKSA-N 1 0 336.501 2.307 20 70 EEIDRO CC(C)NC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160620140 463356629 /nfs/dbraw/zinc/35/66/29/463356629.db2.gz PLSIAOFTTNGQPN-YIONKMFJSA-N 1 0 339.480 2.373 20 70 EEIDRO Cc1ccc(-c2nc(C(=O)NC[C@@H](O)C[NH+]3CCCCC3)cs2)o1 ZINC000160691593 463362447 /nfs/dbraw/zinc/36/24/47/463362447.db2.gz SGRSLOQLFSLMDH-CYBMUJFWSA-N 1 0 349.456 2.288 20 70 EEIDRO CC[C@@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)c1ccc(F)cc1 ZINC000160777725 463370379 /nfs/dbraw/zinc/37/03/79/463370379.db2.gz ZBSATOKUEQSGBF-QGZVFWFLSA-N 1 0 343.402 2.282 20 70 EEIDRO Cc1ccc(C(=O)CC[NH+]2CCC(N3CCCNC3=O)CC2)cc1 ZINC000160935908 463383552 /nfs/dbraw/zinc/38/35/52/463383552.db2.gz BMOQLTLFOWZSSN-UHFFFAOYSA-N 1 0 329.444 2.448 20 70 EEIDRO Cc1c(C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)cnn1C1CCOCC1 ZINC000160938929 463384330 /nfs/dbraw/zinc/38/43/30/463384330.db2.gz AAIGUHHDWRIDAQ-LSDHHAIUSA-N 1 0 348.491 2.393 20 70 EEIDRO CC(C)(C)C(=O)N1CCC(C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)CC1 ZINC000160988137 463388318 /nfs/dbraw/zinc/38/83/18/463388318.db2.gz OUEQBLBSYZTDLM-QGZVFWFLSA-N 1 0 347.507 2.275 20 70 EEIDRO CNC(=O)CCC[N@H+](C)Cc1nc2cc(Br)ccc2[nH]1 ZINC000161007278 463390333 /nfs/dbraw/zinc/39/03/33/463390333.db2.gz UYUQDGUDKHTWLZ-UHFFFAOYSA-N 1 0 339.237 2.283 20 70 EEIDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC[C@H](n2cncn2)C1 ZINC000161027990 463392951 /nfs/dbraw/zinc/39/29/51/463392951.db2.gz MJBSUCVSXQABQK-IRXDYDNUSA-N 1 0 348.495 2.135 20 70 EEIDRO CCN(Cc1ccccn1)[C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000161063964 463396720 /nfs/dbraw/zinc/39/67/20/463396720.db2.gz ZGROOJNBGQRJIZ-ZDUSSCGKSA-N 1 0 326.400 2.030 20 70 EEIDRO CC(=O)c1cccc(OC[C@H](O)C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000161183523 463407691 /nfs/dbraw/zinc/40/76/91/463407691.db2.gz UZSSIVQOGBXYLX-QWFCFKBJSA-N 1 0 347.455 2.256 20 70 EEIDRO Cc1cc(C)cc(C[C@H](C)NC(=O)c2cn(C3CC[NH2+]CC3)nn2)c1 ZINC000161346211 463422885 /nfs/dbraw/zinc/42/28/85/463422885.db2.gz QGOMRUWPTGAUMH-HNNXBMFYSA-N 1 0 341.459 2.180 20 70 EEIDRO CC[C@H](CCO)CNC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000161341558 463423139 /nfs/dbraw/zinc/42/31/39/463423139.db2.gz XHDTWMWPCGLDMU-JKSUJKDBSA-N 1 0 348.491 2.315 20 70 EEIDRO Cc1[nH]c(=O)ccc1C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000161390693 463427484 /nfs/dbraw/zinc/42/74/84/463427484.db2.gz JGQUPXYOHQCXOW-QGZVFWFLSA-N 1 0 339.439 2.390 20 70 EEIDRO CSCC[C@H]([NH3+])C(=O)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000161454015 463431324 /nfs/dbraw/zinc/43/13/24/463431324.db2.gz ILVQCUYAZDDNFZ-ZFWWWQNUSA-N 1 0 338.448 2.327 20 70 EEIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(CSc2nccn2C)o1 ZINC000161196060 530003252 /nfs/dbraw/zinc/00/32/52/530003252.db2.gz WBDWJWDRWSQYDT-GFCCVEGCSA-N 1 0 334.445 2.129 20 70 EEIDRO COc1cc(C(=O)NCCC[NH3+])cc(OC)c1OCc1ccccc1 ZINC000160122701 533532262 /nfs/dbraw/zinc/53/22/62/533532262.db2.gz AXMGYCFUGZFNRA-UHFFFAOYSA-N 1 0 344.411 2.361 20 70 EEIDRO CCC(=O)N1CC[C@H](C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)C1 ZINC000159595041 143800283 /nfs/dbraw/zinc/80/02/83/143800283.db2.gz KONNTCRFSYPGND-SFHVURJKSA-N 1 0 349.519 2.360 20 70 EEIDRO CO[C@H]1CCN(C(=O)c2ccccc2Br)[C@@H](C[NH3+])C1 ZINC000161120902 286056080 /nfs/dbraw/zinc/05/60/80/286056080.db2.gz WSHMKXHMLSOXSF-MNOVXSKESA-N 1 0 327.222 2.027 20 70 EEIDRO Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)N3CC[NH2+]CC3)c12 ZINC000159380550 225207212 /nfs/dbraw/zinc/20/72/12/225207212.db2.gz RNFNYBFLDALDOY-UHFFFAOYSA-N 1 0 340.358 2.383 20 70 EEIDRO CCOc1ccccc1NC(=O)C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000159413546 225212370 /nfs/dbraw/zinc/21/23/70/225212370.db2.gz VZIWCUZIZDMKML-HNNXBMFYSA-N 1 0 347.459 2.118 20 70 EEIDRO O=C(Nc1ccc(OCc2noc(C3CC3)n2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000159769381 225274313 /nfs/dbraw/zinc/27/43/13/225274313.db2.gz FKAZFWMRTNFSLS-CYBMUJFWSA-N 1 0 342.399 2.464 20 70 EEIDRO COc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3nc(C)nn3C1)CCCO2 ZINC000160324504 273985060 /nfs/dbraw/zinc/98/50/60/273985060.db2.gz BNSCDABFSRMIDA-BBRMVZONSA-N 1 0 328.416 2.413 20 70 EEIDRO O=C(Cc1cc(Cl)ccc1Cl)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160417842 273985646 /nfs/dbraw/zinc/98/56/46/273985646.db2.gz SXFGGIRAHPYFIE-CQSZACIVSA-N 1 0 345.270 2.499 20 70 EEIDRO C[N@H+](Cc1c(-c2ccccc2)nc2ccccn21)CC(C)(CO)CO ZINC000159514070 311342580 /nfs/dbraw/zinc/34/25/80/311342580.db2.gz PNILFEIIHBVJCY-UHFFFAOYSA-N 1 0 339.439 2.424 20 70 EEIDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C[C@@H]2CCCC(C)(C)C2)CC1 ZINC000159803968 311346539 /nfs/dbraw/zinc/34/65/39/311346539.db2.gz LSOLSRRZICDMFL-DLBZAZTESA-N 1 0 349.519 2.358 20 70 EEIDRO C[NH+](C)Cc1cccc(CNC(=O)CCNC(=O)C2CCCCC2)c1 ZINC000159988761 311348854 /nfs/dbraw/zinc/34/88/54/311348854.db2.gz CMVMWVGCUDBVDA-UHFFFAOYSA-N 1 0 345.487 2.451 20 70 EEIDRO C[NH+](C)CCCC1CCN(C(=O)NCCOCC(F)(F)F)CC1 ZINC000160159192 311350536 /nfs/dbraw/zinc/35/05/36/311350536.db2.gz CXDYKTPPDNKRMO-UHFFFAOYSA-N 1 0 339.402 2.329 20 70 EEIDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCC[C@@]1(C)CO ZINC000160941102 311360104 /nfs/dbraw/zinc/36/01/04/311360104.db2.gz BLCJSFIGDCUMPL-NUJGCVRESA-N 1 0 325.497 2.347 20 70 EEIDRO C[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C(=O)NCc1ccccc1 ZINC000160962321 311360624 /nfs/dbraw/zinc/36/06/24/311360624.db2.gz OVRFDYQDLWQEPD-HNNXBMFYSA-N 1 0 339.439 2.183 20 70 EEIDRO Cc1cccc(OC[C@H](O)C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)c1 ZINC000161232478 311363815 /nfs/dbraw/zinc/36/38/15/311363815.db2.gz PVDXTTWWSXRRJL-ZBFHGGJFSA-N 1 0 347.377 2.370 20 70 EEIDRO CCC[C@@H](C(=O)N1CCC[C@H](c2nnc3n2CCCCC3)C1)[NH+](C)C ZINC000159459385 463287231 /nfs/dbraw/zinc/28/72/31/463287231.db2.gz JTZVVXDEVCUBPP-HOTGVXAUSA-N 1 0 347.507 2.441 20 70 EEIDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@](C)(O)CSC ZINC000159458639 463287752 /nfs/dbraw/zinc/28/77/52/463287752.db2.gz PSCXZZAPWQRILH-ZBFHGGJFSA-N 1 0 331.526 2.054 20 70 EEIDRO [NH3+]CC1(C(=O)NCC2CCN(C(=O)c3ccccc3)CC2)CCCC1 ZINC000159682806 463298794 /nfs/dbraw/zinc/29/87/94/463298794.db2.gz REGLGROETOTWCQ-UHFFFAOYSA-N 1 0 343.471 2.174 20 70 EEIDRO C[C@H](NC(=O)CC1CCCCC1)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159861299 463308047 /nfs/dbraw/zinc/30/80/47/463308047.db2.gz UIRDZMKVLABYKY-HNNXBMFYSA-N 1 0 349.519 2.452 20 70 EEIDRO C[NH+](C)C[C@@H]1CN(Cc2ccc(C(=O)OC(C)(C)C)cc2)CCO1 ZINC000160013750 463313765 /nfs/dbraw/zinc/31/37/65/463313765.db2.gz KWYNHCOYXNUEDB-QGZVFWFLSA-N 1 0 334.460 2.404 20 70 EEIDRO C[C@H](Cc1cccc(Cl)c1)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160426933 463337519 /nfs/dbraw/zinc/33/75/19/463337519.db2.gz QKSMHXVOQKGTCV-RHSMWYFYSA-N 1 0 338.879 2.482 20 70 EEIDRO Cc1ccc(CC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)s1 ZINC000160539647 463348479 /nfs/dbraw/zinc/34/84/79/463348479.db2.gz ZXTVJGGXFAHKFQ-SJORKVTESA-N 1 0 336.501 2.483 20 70 EEIDRO CC(=O)NCCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160634875 463357901 /nfs/dbraw/zinc/35/79/01/463357901.db2.gz MWKILFFUPYLNOY-XYPWUTKMSA-N 1 0 339.480 2.375 20 70 EEIDRO O=C(Cc1cccc2ccccc21)NCC1CC[NH+](CCO)CC1 ZINC000160661940 463359722 /nfs/dbraw/zinc/35/97/22/463359722.db2.gz LMPACEWNTRJOBH-UHFFFAOYSA-N 1 0 326.440 2.203 20 70 EEIDRO CC(=O)N1CCCc2cc(NC(=O)NC3CC[NH+](C)CC3)ccc21 ZINC000160874376 463378625 /nfs/dbraw/zinc/37/86/25/463378625.db2.gz VZASFTGHAVRCLJ-UHFFFAOYSA-N 1 0 330.432 2.201 20 70 EEIDRO CSCC[C@@H]([NH3+])C(=O)Nc1ccc(CN(C(C)=O)C2CC2)cc1 ZINC000160953633 463385435 /nfs/dbraw/zinc/38/54/35/463385435.db2.gz HKGKUUFYWYKMOR-MRXNPFEDSA-N 1 0 335.473 2.216 20 70 EEIDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000161087617 463398501 /nfs/dbraw/zinc/39/85/01/463398501.db2.gz DLTGYRWOUNVISJ-HMDCTGQHSA-N 1 0 333.476 2.212 20 70 EEIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1nnn(-c2ccccc2Cl)c1C ZINC000161179365 463407775 /nfs/dbraw/zinc/40/77/75/463407775.db2.gz ZHNPADCFZNJWRC-GFCCVEGCSA-N 1 0 333.823 2.053 20 70 EEIDRO CCCC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1c(C)noc1C ZINC000161242170 463413047 /nfs/dbraw/zinc/41/30/47/463413047.db2.gz MHZDCKIQZOKBCJ-CQSZACIVSA-N 1 0 329.466 2.224 20 70 EEIDRO Cc1onc(-c2ccncc2)c1C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000161335663 463421808 /nfs/dbraw/zinc/42/18/08/463421808.db2.gz VGIHWCNATRIPEP-OAHLLOKOSA-N 1 0 326.400 2.355 20 70 EEIDRO C[C@@]1(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)CCC[NH2+]C1 ZINC000161332953 463422394 /nfs/dbraw/zinc/42/23/94/463422394.db2.gz BXELYCMHTIBFHD-GOSISDBHSA-N 1 0 349.862 2.014 20 70 EEIDRO FC(F)C(F)(F)CN1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000161360255 463424414 /nfs/dbraw/zinc/42/44/14/463424414.db2.gz NOKJIULYYSHEIO-UHFFFAOYSA-N 1 0 325.394 2.380 20 70 EEIDRO CC[C@@H]1Oc2cc([C@H](C)NC(=O)[C@H]3CCCC[NH2+]3)ccc2NC1=O ZINC000161364664 463425156 /nfs/dbraw/zinc/42/51/56/463425156.db2.gz WJQLTLKQPVQZMB-GLQYFDAESA-N 1 0 331.416 2.115 20 70 EEIDRO CCOCCC1(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCC1 ZINC000161372508 463425717 /nfs/dbraw/zinc/42/57/17/463425717.db2.gz GCGYQTDZEGLFBD-IYBDPMFKSA-N 1 0 326.481 2.199 20 70 EEIDRO CC(C)CC(=O)NCCC(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000161418692 463430040 /nfs/dbraw/zinc/43/00/40/463430040.db2.gz NKBUNQYMIOMIFZ-MAUKXSAKSA-N 1 0 325.497 2.166 20 70 EEIDRO C[C@@H](CNC(=O)c1cccc(-c2nc[nH]n2)c1)C[NH+]1CCCCC1 ZINC000161387068 534043070 /nfs/dbraw/zinc/04/30/70/534043070.db2.gz ZTUSFDBZYQKLHJ-AWEZNQCLSA-N 1 0 327.432 2.324 20 70 EEIDRO Cc1ccc(NC(=O)C(=O)NCCCC[N@H+]2CCCC[C@H]2C)cn1 ZINC000160088419 534172551 /nfs/dbraw/zinc/17/25/51/534172551.db2.gz MVMURJXVKADACX-OAHLLOKOSA-N 1 0 332.448 2.099 20 70 EEIDRO CC(=O)Nc1cccc(OCC[NH2+]C2CCC3(CC2)OCCO3)c1 ZINC000161444437 527075020 /nfs/dbraw/zinc/07/50/20/527075020.db2.gz ITCVQJZQEFYGAI-UHFFFAOYSA-N 1 0 334.416 2.299 20 70 EEIDRO CC[N@H+](C)Cc1cccc(CNC(=O)CCNC(=O)CC(C)C)c1 ZINC000161500707 527840849 /nfs/dbraw/zinc/84/08/49/527840849.db2.gz UTKCTDPBRWTXAV-UHFFFAOYSA-N 1 0 333.476 2.307 20 70 EEIDRO CCC(CC)(C[NH3+])C(=O)N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000161184521 528648882 /nfs/dbraw/zinc/64/88/82/528648882.db2.gz NFFOCQBZISDVLB-OAHLLOKOSA-N 1 0 337.508 2.249 20 70 EEIDRO CC[N@@H+]1CCCN(C(=O)NCc2ccc(-n3cccn3)cc2)CC1 ZINC000159649390 529026638 /nfs/dbraw/zinc/02/66/38/529026638.db2.gz HXRALWZTNWYPOQ-UHFFFAOYSA-N 1 0 327.432 2.110 20 70 EEIDRO CC[C@](C)(CCO)NC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000160001527 529358233 /nfs/dbraw/zinc/35/82/33/529358233.db2.gz VUPBGBUQWAGMSH-VDZJLULYSA-N 1 0 333.476 2.357 20 70 EEIDRO Cc1cn(-c2ccccc2)nc1NC(=O)N[C@@H](C)[C@H]1CN(C)CCO1 ZINC000159374466 539516203 /nfs/dbraw/zinc/51/62/03/539516203.db2.gz ARSNBYIANPLOOF-GOEBONIOSA-N 1 0 343.431 2.021 20 70 EEIDRO Cc1nccc(NC(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)c1Cl ZINC000159998068 539519631 /nfs/dbraw/zinc/51/96/31/539519631.db2.gz ZMDWRILPAJFYFI-CYBMUJFWSA-N 1 0 340.855 2.402 20 70 EEIDRO C[C@@H](C(=O)Nc1ccc(Cl)cn1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161335987 539527411 /nfs/dbraw/zinc/52/74/11/539527411.db2.gz RPQQMCWSELMQOU-ZDUSSCGKSA-N 1 0 345.834 2.279 20 70 EEIDRO O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N1CC[NH+](C2CCCC2)CC1 ZINC000160995130 295824801 /nfs/dbraw/zinc/82/48/01/295824801.db2.gz XXBVEEOEPRVPLZ-BBWFWOEESA-N 1 0 333.476 2.214 20 70 EEIDRO COc1cccc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000160310771 533405163 /nfs/dbraw/zinc/40/51/63/533405163.db2.gz RLZKFXNNUCBMRV-MSOLQXFVSA-N 1 0 332.444 2.193 20 70 EEIDRO C[C@@H](CC(=O)NC[C@@H](O)C[NH+]1CCCCC1)Cc1cccc(F)c1 ZINC000160292408 533435531 /nfs/dbraw/zinc/43/55/31/533435531.db2.gz ILVTZNFGSUCSPK-CRAIPNDOSA-N 1 0 336.451 2.357 20 70 EEIDRO Cc1cc(S(=O)(=O)N(C)[C@H](C[NH3+])C2CC2)ccc1Br ZINC000159963669 143805584 /nfs/dbraw/zinc/80/55/84/143805584.db2.gz QYKWHBWNFVHVNN-CYBMUJFWSA-N 1 0 347.278 2.115 20 70 EEIDRO O=C(NCC1CC[NH+](CCO)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000160581411 159713467 /nfs/dbraw/zinc/71/34/67/159713467.db2.gz MYQZLFGWTAUQCU-UHFFFAOYSA-N 1 0 346.349 2.019 20 70 EEIDRO CN(C[C@H]1CCC[C@@H]1O)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000159717034 225266095 /nfs/dbraw/zinc/26/60/95/225266095.db2.gz LQFUFTPVBUVHNW-OIISXLGYSA-N 1 0 337.439 2.231 20 70 EEIDRO C[C@H](c1ccncc1)[NH+]1CCC(N[C@@H](C(N)=O)c2ccccc2)CC1 ZINC000159907670 225299789 /nfs/dbraw/zinc/29/97/89/225299789.db2.gz FDWQKFNXKLRMAB-DNVCBOLYSA-N 1 0 338.455 2.423 20 70 EEIDRO O=C(NCC[NH2+]C1CCCCCC1)c1ccc2c(c1)NC(=O)CO2 ZINC000159620054 225250042 /nfs/dbraw/zinc/25/00/42/225250042.db2.gz BYQZCHYWZZCXPD-UHFFFAOYSA-N 1 0 331.416 2.060 20 70 EEIDRO O=C(Cc1ccccc1C(F)(F)F)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160189683 225357224 /nfs/dbraw/zinc/35/72/24/225357224.db2.gz LPHPKTGQNYBTMW-CQSZACIVSA-N 1 0 344.377 2.211 20 70 EEIDRO [NH3+]C[C@H]1CCCN1C(=O)c1cnc(-c2ccc3c(c2)OCO3)s1 ZINC000160212613 225361176 /nfs/dbraw/zinc/36/11/76/225361176.db2.gz LKGHFBVPVGHBRR-LLVKDONJSA-N 1 0 331.397 2.102 20 70 EEIDRO COc1cc([C@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)cc(OC)c1OC ZINC000160414737 277839301 /nfs/dbraw/zinc/83/93/01/277839301.db2.gz VUFPNLRIGKDBFO-FZMZJTMJSA-N 1 0 346.431 2.278 20 70 EEIDRO CC(=O)NC1CCC([NH2+]C[C@H](c2ccccc2)N2CCOCC2)CC1 ZINC000161250618 278088727 /nfs/dbraw/zinc/08/87/27/278088727.db2.gz LKOBVGVWGKQOPY-SOAGJPPSSA-N 1 0 345.487 2.097 20 70 EEIDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C[C@@H]2CCCC(C)(C)C2)CC1 ZINC000159803696 311346603 /nfs/dbraw/zinc/34/66/03/311346603.db2.gz LSOLSRRZICDMFL-IRXDYDNUSA-N 1 0 349.519 2.358 20 70 EEIDRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C2CCC(C)(C)CC2)CC1 ZINC000160015688 311349353 /nfs/dbraw/zinc/34/93/53/311349353.db2.gz LZCQFSGUQAMSDW-UHFFFAOYSA-N 1 0 337.508 2.215 20 70 EEIDRO C[C@@H](Cc1ccc(Cl)cc1)C(=O)NCCCN1CC[NH+](C)CC1 ZINC000160192693 311350908 /nfs/dbraw/zinc/35/09/08/311350908.db2.gz FHQLVAFXJLVDRD-HNNXBMFYSA-N 1 0 337.895 2.272 20 70 EEIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CCNC(=O)c1cccs1 ZINC000160506502 311355034 /nfs/dbraw/zinc/35/50/34/311355034.db2.gz UTKUWELRGVCJSW-CQSZACIVSA-N 1 0 337.489 2.105 20 70 EEIDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)NCCOCc2cccc(OC)c2)C1 ZINC000160610375 311356553 /nfs/dbraw/zinc/35/65/53/311356553.db2.gz IRFIRUSQXUUHCX-KRWDZBQOSA-N 1 0 349.475 2.195 20 70 EEIDRO CCCN(Cc1cnc(N(CC)CC)s1)[C@H]1CCS(=O)(=O)C1 ZINC000161073240 311361715 /nfs/dbraw/zinc/36/17/15/311361715.db2.gz OFBXHNQUUPRYCU-ZDUSSCGKSA-N 1 0 345.534 2.388 20 70 EEIDRO CCC[C@H]1CN(c2ccc(C(=O)OC)c(C)n2)CC[N@@H+]1CCOC ZINC000161076187 311361787 /nfs/dbraw/zinc/36/17/87/311361787.db2.gz QYZVJRDNXSILQX-HNNXBMFYSA-N 1 0 335.448 2.114 20 70 EEIDRO CC[C@H](C)[C@H](O)CNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000159940311 463311264 /nfs/dbraw/zinc/31/12/64/463311264.db2.gz SSAUJXWHDJCFFW-CWLKWCNXSA-N 1 0 333.476 2.213 20 70 EEIDRO O=C(Cc1ccc(Cl)cc1Cl)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160336142 463328978 /nfs/dbraw/zinc/32/89/78/463328978.db2.gz LXESGGPRNCUESF-CQSZACIVSA-N 1 0 345.270 2.499 20 70 EEIDRO COCc1nc(C)cc(N2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000160479651 463342165 /nfs/dbraw/zinc/34/21/65/463342165.db2.gz UMBSCOPXKHUSLU-XHSDSOJGSA-N 1 0 334.464 2.009 20 70 EEIDRO C[NH2+][C@@H]1CCN(C(=O)[C@H](C)Oc2ccc(Br)cc2)C1 ZINC000160783374 463370844 /nfs/dbraw/zinc/37/08/44/463370844.db2.gz FFCHIPOCQQERFN-CMPLNLGQSA-N 1 0 327.222 2.037 20 70 EEIDRO CCOCCO[C@H]1CC[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000160959010 463385855 /nfs/dbraw/zinc/38/58/55/463385855.db2.gz GDBGJKDLOTZFDO-KRWDZBQOSA-N 1 0 340.508 2.399 20 70 EEIDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC(n2cncn2)CC1 ZINC000160976223 463387236 /nfs/dbraw/zinc/38/72/36/463387236.db2.gz ZMGALFJBRTVXDG-QGZVFWFLSA-N 1 0 348.495 2.135 20 70 EEIDRO COc1cccc(CNC(=O)[C@H](C)[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000160978195 463387304 /nfs/dbraw/zinc/38/73/04/463387304.db2.gz OADBQKIGVDQTPY-XAUMDUMWSA-N 1 0 346.471 2.327 20 70 EEIDRO CC(=O)NC1CCC([NH2+]Cc2ccc(CN3CCCC3=O)cc2)CC1 ZINC000161024730 463391733 /nfs/dbraw/zinc/39/17/33/463391733.db2.gz ZGXTUTFCLUDCAR-UHFFFAOYSA-N 1 0 343.471 2.346 20 70 EEIDRO CCC(=O)N1CC[C@@H](C(=O)NC[C@H](c2ccco2)[NH+](CC)CC)C1 ZINC000161037031 463393827 /nfs/dbraw/zinc/39/38/27/463393827.db2.gz MQAYXKJDPLVFBE-HUUCEWRRSA-N 1 0 335.448 2.037 20 70 EEIDRO C[C@@H](CC(=O)NCc1cc(=O)[nH]c2ccccc12)[C@H]1CCC[NH2+]C1 ZINC000161047348 463394523 /nfs/dbraw/zinc/39/45/23/463394523.db2.gz IZKSFTJABWWEQL-KBPBESRZSA-N 1 0 327.428 2.170 20 70 EEIDRO Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000161120991 463402262 /nfs/dbraw/zinc/40/22/62/463402262.db2.gz UPEWNBQIZKITEH-HUUCEWRRSA-N 1 0 340.427 2.058 20 70 EEIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)C1 ZINC000161273270 463415103 /nfs/dbraw/zinc/41/51/03/463415103.db2.gz MPYFHDYVAYQUPL-UONOGXRCSA-N 1 0 342.443 2.444 20 70 EEIDRO Cc1ccc(NC(=O)C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)cn1 ZINC000161263115 463415173 /nfs/dbraw/zinc/41/51/73/463415173.db2.gz PJTMLRHDYYMHQW-ZIAGYGMSSA-N 1 0 346.475 2.201 20 70 EEIDRO CCC(CC)(C[NH3+])C(=O)N[C@H]1CCN(c2ccc(F)cc2F)C1 ZINC000161284065 463415561 /nfs/dbraw/zinc/41/55/61/463415561.db2.gz HIHZAFAQFPIQBN-ZDUSSCGKSA-N 1 0 325.403 2.425 20 70 EEIDRO CCOc1cc2c(cc1CNC(=O)[C@]1(C)CCC[NH2+]C1)O[C@@H](C)C2 ZINC000161313318 463419576 /nfs/dbraw/zinc/41/95/76/463419576.db2.gz YOXCLGAHMAGHKP-ORAYPTAESA-N 1 0 332.444 2.415 20 70 EEIDRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccn(CC(F)(F)F)n2)C1 ZINC000160901320 527830857 /nfs/dbraw/zinc/83/08/57/527830857.db2.gz PWDNOBRTBMERNB-LLVKDONJSA-N 1 0 333.358 2.251 20 70 EEIDRO CCOc1cccc2cc([C@H](C)[NH2+]CCN3C(=O)CNC3=O)oc21 ZINC000159774888 528699504 /nfs/dbraw/zinc/69/95/04/528699504.db2.gz WFWFHSILSJTSLY-NSHDSACASA-N 1 0 331.372 2.034 20 70 EEIDRO CCCC[C@H](C[NH3+])NS(=O)(=O)c1ccccc1OC(F)(F)F ZINC000159791629 143802244 /nfs/dbraw/zinc/80/22/44/143802244.db2.gz YRADPQCRWFASTD-SNVBAGLBSA-N 1 0 340.367 2.381 20 70 EEIDRO C[C@H]1CCC[N@H+](CCNC(=O)c2cccc(NC(=O)N(C)C)c2)C1 ZINC000159905085 225300509 /nfs/dbraw/zinc/30/05/09/225300509.db2.gz YETLCZNTPHRCRJ-AWEZNQCLSA-N 1 0 332.448 2.242 20 70 EEIDRO Cc1ccc(NC(=O)NC(=O)C[N@H+](C)C[C@@H]2CCC[C@@H]2O)c(C)c1 ZINC000159582985 225244146 /nfs/dbraw/zinc/24/41/46/225244146.db2.gz AAYWLMXSMBZHFD-HOCLYGCPSA-N 1 0 333.432 2.044 20 70 EEIDRO Cc1ccc(OCc2nc(CC(=O)N3CC[C@@H]([NH3+])C3)cs2)cc1 ZINC000160263555 225375987 /nfs/dbraw/zinc/37/59/87/225375987.db2.gz KUMDLMCZAYJSSX-CYBMUJFWSA-N 1 0 331.441 2.133 20 70 EEIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cccnc1Cl ZINC000160722733 225461509 /nfs/dbraw/zinc/46/15/09/225461509.db2.gz CAVFAZRQOHADSA-CABCVRRESA-N 1 0 337.851 2.233 20 70 EEIDRO C[NH2+]C[C@@H]1CCCN1C(=O)CN[C@H](c1ccccc1)C(F)(F)F ZINC000161204886 277276774 /nfs/dbraw/zinc/27/67/74/277276774.db2.gz KRGAMSMHHYPKSK-DZGCQCFKSA-N 1 0 329.366 2.090 20 70 EEIDRO Cc1cc(C(=O)N(C)C2CC[NH+](CCn3cccn3)CC2)oc1C ZINC000160205834 311351328 /nfs/dbraw/zinc/35/13/28/311351328.db2.gz XATRHAJZWPHLAY-UHFFFAOYSA-N 1 0 330.432 2.330 20 70 EEIDRO Cc1cccc(-n2cc(C(=O)NCC[NH+]3CCC(C)CC3)nn2)c1 ZINC000160234769 311351938 /nfs/dbraw/zinc/35/19/38/311351938.db2.gz SLAVHMALALAVSM-UHFFFAOYSA-N 1 0 327.432 2.037 20 70 EEIDRO CN(CCc1nccs1)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000159496057 463289596 /nfs/dbraw/zinc/28/95/96/463289596.db2.gz XNEASBVXTDODRE-INIZCTEOSA-N 1 0 346.500 2.037 20 70 EEIDRO O=C(C[NH2+]C[C@H]1CCCO1)N[C@@H](c1ccc(F)cc1)C(F)(F)F ZINC000159687500 463300258 /nfs/dbraw/zinc/30/02/58/463300258.db2.gz RORJCGWESVEBGH-OCCSQVGLSA-N 1 0 334.313 2.314 20 70 EEIDRO CC[C@@H](CCO)CNC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000159921533 463310777 /nfs/dbraw/zinc/31/07/77/463310777.db2.gz LAZDFBPQXJGODL-BQFCYCMXSA-N 1 0 333.476 2.215 20 70 EEIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](NC(=O)c1ccco1)C(C)C ZINC000160512448 463345851 /nfs/dbraw/zinc/34/58/51/463345851.db2.gz XMCXYBPQCUEWEQ-NVXWUHKLSA-N 1 0 349.475 2.271 20 70 EEIDRO O=C(NCC1CC[NH+](CCO)CC1)[C@H]1C[C@@H]1c1ccccc1Cl ZINC000160618247 463356617 /nfs/dbraw/zinc/35/66/17/463356617.db2.gz IROWKGKHDNYVJG-CVEARBPZSA-N 1 0 336.863 2.264 20 70 EEIDRO CC(C)c1cc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)[nH]n1 ZINC000160700989 463363259 /nfs/dbraw/zinc/36/32/59/463363259.db2.gz SRBIKKKKLVIHKM-SJORKVTESA-N 1 0 334.464 2.031 20 70 EEIDRO CC(C)Oc1cccc([C@@H](O)CNC(=O)[C@H]([NH3+])Cc2ccccc2)c1 ZINC000160962877 463385797 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EEIDRO Cc1ccc(-c2cc(C(=O)NC[C@@H](O)C[NH+]3CCCCC3)on2)cc1 ZINC000159919060 534176383 /nfs/dbraw/zinc/17/63/83/534176383.db2.gz SGACXEPDZINSQZ-MRXNPFEDSA-N 1 0 343.427 2.227 20 70 EEIDRO O=C(c1cnc(-c2ncccn2)s1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159744760 534765859 /nfs/dbraw/zinc/76/58/59/534765859.db2.gz XAEXUAHDQMDDAU-UHFFFAOYSA-N 1 0 343.456 2.204 20 70 EEIDRO CC[NH+](CC)Cc1cccc(CNC(=O)C(=O)Nc2nocc2C)c1 ZINC000160388099 528192396 /nfs/dbraw/zinc/19/23/96/528192396.db2.gz YQOMZGAEFAUTJR-UHFFFAOYSA-N 1 0 344.415 2.080 20 70 EEIDRO CCC(CC)(C[NH3+])C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000161252953 528649830 /nfs/dbraw/zinc/64/98/30/528649830.db2.gz XQIGLXMNDUCDAM-CQSZACIVSA-N 1 0 337.851 2.327 20 70 EEIDRO CC[N@@H+]1CCCN(C(=O)NCc2ccccc2-n2cccn2)CC1 ZINC000159776146 529029136 /nfs/dbraw/zinc/02/91/36/529029136.db2.gz YTRAHQXTBYEXQB-UHFFFAOYSA-N 1 0 327.432 2.110 20 70 EEIDRO CCC(CC)(CNC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)C(=O)OC ZINC000160914141 282103834 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O=C(CCc1c[nH]c2ccccc12)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160337160 225390227 /nfs/dbraw/zinc/39/02/27/225390227.db2.gz GIMKFADOJYSXAV-MRXNPFEDSA-N 1 0 329.444 2.064 20 70 EEIDRO C[C@H](CNC(=O)c1ccc(C(=O)NC2CC2)cc1)C[NH+]1CCCCC1 ZINC000160529871 225428682 /nfs/dbraw/zinc/42/86/82/225428682.db2.gz AMBWUHVWMNUGHG-OAHLLOKOSA-N 1 0 343.471 2.431 20 70 EEIDRO CC[C@@H]1COCCN1C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000161211421 276507639 /nfs/dbraw/zinc/50/76/39/276507639.db2.gz IRIGROBHNFXNFN-CRAIPNDOSA-N 1 0 346.475 2.427 20 70 EEIDRO CC[C@@H](C(=O)N1CCC(c2nc(-c3ccccn3)no2)CC1)[NH+](C)C ZINC000160835552 276514388 /nfs/dbraw/zinc/51/43/88/276514388.db2.gz NSKJPJWACDVFAS-HNNXBMFYSA-N 1 0 343.431 2.178 20 70 EEIDRO CC(C)(C)C1CCC(C[N@@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)CC1 ZINC000160310119 311352848 /nfs/dbraw/zinc/35/28/48/311352848.db2.gz ZUGYCPCFTUXWTC-PCKAHOCUSA-N 1 0 345.553 2.344 20 70 EEIDRO CC[C@H]1CCN(c2nc(NCCOC)nc(N3CC[C@H](CC)C3)n2)C1 ZINC000160801840 311358723 /nfs/dbraw/zinc/35/87/23/311358723.db2.gz CJRUMSJXHTVTPW-GJZGRUSLSA-N 1 0 348.495 2.403 20 70 EEIDRO COC(=O)c1csc(NC(=O)NC[C@H](C)C[NH+]2CCCC2)c1 ZINC000160936354 311360007 /nfs/dbraw/zinc/36/00/07/311360007.db2.gz OBOHGDJWQXVKBT-NSHDSACASA-N 1 0 325.434 2.388 20 70 EEIDRO CCC[N@H+](CCO)Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2 ZINC000161193788 311363204 /nfs/dbraw/zinc/36/32/04/311363204.db2.gz QKFSJXUVNNECJG-UHFFFAOYSA-N 1 0 345.443 2.453 20 70 EEIDRO COc1ccc([C@@H](NC(=O)c2cc(C)ncn2)c2nccn2C)cc1 ZINC000161379323 311365224 /nfs/dbraw/zinc/36/52/24/311365224.db2.gz CLSPSJZGSNYKFW-MRXNPFEDSA-N 1 0 337.383 2.047 20 70 EEIDRO CC(C)(C)C(=O)N1CCC(C[N@@H+]2CCOC3(CCOCC3)C2)CC1 ZINC000160312878 463327504 /nfs/dbraw/zinc/32/75/04/463327504.db2.gz XFYMWZFVMYYLOZ-UHFFFAOYSA-N 1 0 338.492 2.153 20 70 EEIDRO COCC[N@H+](C)CCCNC(=O)c1cc(C)nc2ccc(OC)cc21 ZINC000160433760 463338740 /nfs/dbraw/zinc/33/87/40/463338740.db2.gz ALLXRNNAWMXUNK-UHFFFAOYSA-N 1 0 345.443 2.250 20 70 EEIDRO C[NH2+][C@H]1CCN(C(=O)CCc2ncc(-c3ccc(OC)cc3)o2)C1 ZINC000160463610 463341356 /nfs/dbraw/zinc/34/13/56/463341356.db2.gz DQFCMGLRKPECOQ-AWEZNQCLSA-N 1 0 329.400 2.103 20 70 EEIDRO COC1(C(=O)N[C@@H](C)c2ncc(-c3ccccc3)o2)CC[NH2+]CC1 ZINC000160479063 463343173 /nfs/dbraw/zinc/34/31/73/463343173.db2.gz SYALGIXYRKRZJR-ZDUSSCGKSA-N 1 0 329.400 2.287 20 70 EEIDRO CCn1c(C(=O)NCC2CC[NH+](CCO)CC2)cc2ccccc21 ZINC000160563642 463350570 /nfs/dbraw/zinc/35/05/70/463350570.db2.gz SRLPEZIXEHDJJY-UHFFFAOYSA-N 1 0 329.444 2.095 20 70 EEIDRO CC(C)CC(=O)NCCC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000160635449 463357498 /nfs/dbraw/zinc/35/74/98/463357498.db2.gz WCBUAPAHVQWBSB-MRXNPFEDSA-N 1 0 325.497 2.167 20 70 EEIDRO [NH3+]C1(C(=O)Nc2ccc(CCn3cc(Br)cn3)cc2)CC1 ZINC000160687035 463362547 /nfs/dbraw/zinc/36/25/47/463362547.db2.gz NHDDNSBBBXCOAG-UHFFFAOYSA-N 1 0 349.232 2.318 20 70 EEIDRO COc1cccc(C2(NC(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)CC2)c1 ZINC000160705931 463363330 /nfs/dbraw/zinc/36/33/30/463363330.db2.gz TZWFRVLCUVJDQV-AWEZNQCLSA-N 1 0 329.444 2.468 20 70 EEIDRO C[C@@H](NC(=O)N[C@H]1CC[N@H+](CC2CC2)C1)c1ccc(NC(N)=O)cc1 ZINC000160752652 463368083 /nfs/dbraw/zinc/36/80/83/463368083.db2.gz PRZXIKHLWKAGJX-WBMJQRKESA-N 1 0 345.447 2.022 20 70 EEIDRO CN(Cc1ccc2c(c1)OCO2)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160765744 463369225 /nfs/dbraw/zinc/36/92/25/463369225.db2.gz KSNJNOPQZRMJQK-OAHLLOKOSA-N 1 0 331.416 2.041 20 70 EEIDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N(CCCCO)C1CC1 ZINC000160960719 463386411 /nfs/dbraw/zinc/38/64/11/463386411.db2.gz IKMKPAPBTLQZBE-QGZVFWFLSA-N 1 0 325.497 2.443 20 70 EEIDRO CCCC[NH+]1CCC(NC(=O)c2csc(S(C)(=O)=O)c2)CC1 ZINC000161045216 463394574 /nfs/dbraw/zinc/39/45/74/463394574.db2.gz WCLGJDUKCDEMDD-UHFFFAOYSA-N 1 0 344.502 2.146 20 70 EEIDRO CC[NH2+]CC1CCN(C(=O)c2cn(-c3cccc(C)c3)nn2)CC1 ZINC000161069142 463396441 /nfs/dbraw/zinc/39/64/41/463396441.db2.gz WDXUBQCQQYNSNM-UHFFFAOYSA-N 1 0 327.432 2.037 20 70 EEIDRO CCN(Cc1ccccn1)[C@H](C)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000161064092 463396467 /nfs/dbraw/zinc/39/64/67/463396467.db2.gz ZGROOJNBGQRJIZ-CYBMUJFWSA-N 1 0 326.400 2.030 20 70 EEIDRO CC[C@H]1COCCN1C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000161211296 463410030 /nfs/dbraw/zinc/41/00/30/463410030.db2.gz IRIGROBHNFXNFN-YJBOKZPZSA-N 1 0 346.475 2.427 20 70 EEIDRO CC(C)c1cc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)[nH]n1 ZINC000160701263 528026809 /nfs/dbraw/zinc/02/68/09/528026809.db2.gz SRBIKKKKLVIHKM-IAGOWNOFSA-N 1 0 334.464 2.031 20 70 EEIDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1cccc(=O)n1C ZINC000159771653 528837113 /nfs/dbraw/zinc/83/71/13/528837113.db2.gz JHTSBYHBSUYMPW-UHFFFAOYSA-N 1 0 327.428 2.156 20 70 EEIDRO CC[N@@H+]1CCCN(C(=O)NCc2ccnc(N3CCCCC3)c2)CC1 ZINC000159581437 529029698 /nfs/dbraw/zinc/02/96/98/529029698.db2.gz NKRHYKPHDUPTQF-UHFFFAOYSA-N 1 0 345.491 2.309 20 70 EEIDRO CCC(CC)(CNC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)C(=O)OC ZINC000160914390 282107991 /nfs/dbraw/zinc/10/79/91/282107991.db2.gz ZHUNUOIPCUNAMX-UONOGXRCSA-N 1 0 327.469 2.138 20 70 EEIDRO Cc1cn(-c2ccccc2)nc1NC(=O)N[C@H](C)[C@H]1CN(C)CCO1 ZINC000159374617 539515949 /nfs/dbraw/zinc/51/59/49/539515949.db2.gz ARSNBYIANPLOOF-GDBMZVCRSA-N 1 0 343.431 2.021 20 70 EEIDRO Cc1ccc(NC(=O)N[C@@H](C)[C@H]2CN(C)CCO2)cc1OC(F)F ZINC000159797075 539518585 /nfs/dbraw/zinc/51/85/85/539518585.db2.gz IZVUQGRWOCPLKI-SMDDNHRTSA-N 1 0 343.374 2.437 20 70 EEIDRO C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161378634 539527566 /nfs/dbraw/zinc/52/75/66/539527566.db2.gz KARKMFDDCDERDM-AWEZNQCLSA-N 1 0 328.391 2.370 20 70 EEIDRO Cn1cc(N2CC[C@H]([NH2+][C@H]3CCCc4cc(F)ccc43)C2=O)cn1 ZINC000159547988 282656635 /nfs/dbraw/zinc/65/66/35/282656635.db2.gz IJCJJKUZNUPXEA-IRXDYDNUSA-N 1 0 328.391 2.332 20 70 EEIDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H](O)c2ccccc2F)C1 ZINC000216916991 241222652 /nfs/dbraw/zinc/22/26/52/241222652.db2.gz XTKDNIYYPWMLOI-RHSMWYFYSA-N 1 0 337.439 2.279 20 70 EEIDRO Cc1c(F)cccc1NC(=O)C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000159435367 225216709 /nfs/dbraw/zinc/21/67/09/225216709.db2.gz PKAWMLDGCBXYFZ-CQSZACIVSA-N 1 0 335.423 2.167 20 70 EEIDRO O=C(NCC[NH2+]C1CCCCCC1)c1cn(-c2ccccc2)nn1 ZINC000159651669 225254573 /nfs/dbraw/zinc/25/45/73/225254573.db2.gz IOWGSXMFEVBDQJ-UHFFFAOYSA-N 1 0 327.432 2.310 20 70 EEIDRO [NH3+][C@H]1CCC[C@@H](C(=O)N2CCN(Cc3ccc(Cl)cc3)C(=O)C2)C1 ZINC000159674780 225258610 /nfs/dbraw/zinc/25/86/10/225258610.db2.gz RQVWQRUEYUVACT-ZBFHGGJFSA-N 1 0 349.862 2.028 20 70 EEIDRO CC(C)C(=O)NCCC[NH2+][C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000159985781 311348750 /nfs/dbraw/zinc/34/87/50/311348750.db2.gz VEIRMKNJQQXTMU-SFHVURJKSA-N 1 0 345.487 2.492 20 70 EEIDRO C[NH+]1CCC(Oc2ccc(NCc3cnc4cnccn34)cn2)CC1 ZINC000160094175 311350084 /nfs/dbraw/zinc/35/00/84/311350084.db2.gz FEZBRWBJVHQGPR-UHFFFAOYSA-N 1 0 338.415 2.209 20 70 EEIDRO CCOC(=O)C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000160503547 311354644 /nfs/dbraw/zinc/35/46/44/311354644.db2.gz IYASJVOFQPJWEA-WBVHZDCISA-N 1 0 332.444 2.499 20 70 EEIDRO Cc1noc(C)c1CCC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160594007 311356149 /nfs/dbraw/zinc/35/61/49/311356149.db2.gz ORWSERSOBONAPI-QZTJIDSGSA-N 1 0 349.475 2.108 20 70 EEIDRO CCN(Cc1cnn(C)c1)[C@H](C)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000161079388 311361756 /nfs/dbraw/zinc/36/17/56/311361756.db2.gz VAXWRCLLQJZSEH-CYBMUJFWSA-N 1 0 328.416 2.472 20 70 EEIDRO CC(C)C[C@@H](CO)NC(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000161279355 311364147 /nfs/dbraw/zinc/36/41/47/311364147.db2.gz AFSGTCKBKRPQDS-KRWDZBQOSA-N 1 0 336.501 2.372 20 70 EEIDRO Cc1cc(NC(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)n(C)n1 ZINC000161485525 311366667 /nfs/dbraw/zinc/36/66/67/311366667.db2.gz NZLPXKCOZNKFLG-UHFFFAOYSA-N 1 0 349.479 2.085 20 70 EEIDRO CC(C)[NH2+]CCC(=O)N(C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000159746044 463302525 /nfs/dbraw/zinc/30/25/25/463302525.db2.gz BGFQMZWHODCMKJ-OAHLLOKOSA-N 1 0 337.851 2.292 20 70 EEIDRO NC(=O)CC1CC[NH+](Cc2ccc(OC[C@H]3CCCO3)cc2)CC1 ZINC000159788628 463305177 /nfs/dbraw/zinc/30/51/77/463305177.db2.gz NNGMYDHCNMJIKR-GOSISDBHSA-N 1 0 332.444 2.332 20 70 EEIDRO CCCNC(=O)c1ccc(NC(=O)[C@H]2CCn3ccnc3C2)cc1 ZINC000160161198 463321014 /nfs/dbraw/zinc/32/10/14/463321014.db2.gz VJAXBVOOZSOTJR-AWEZNQCLSA-N 1 0 326.400 2.224 20 70 EEIDRO Cc1cncc(/C=C/C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000160475692 463341666 /nfs/dbraw/zinc/34/16/66/463341666.db2.gz QERXVXRRRKMVFC-MHJFZZRGSA-N 1 0 331.460 2.407 20 70 EEIDRO Cc1ccc(/C=C/C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)o1 ZINC000160474256 463341785 /nfs/dbraw/zinc/34/17/85/463341785.db2.gz NPUUFCRVFOGWCK-XDIYQJDNSA-N 1 0 332.444 2.485 20 70 EEIDRO C[C@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccc(N2CCCC2=O)cc1 ZINC000160607731 463354719 /nfs/dbraw/zinc/35/47/19/463354719.db2.gz SARLGRWGQNXLNQ-NSHDSACASA-N 1 0 343.349 2.143 20 70 EEIDRO Cc1onc(-c2ccccc2)c1C(=O)NCC1CC[NH+](CCO)CC1 ZINC000160713992 463364866 /nfs/dbraw/zinc/36/48/66/463364866.db2.gz ZTMMKJXOGHEOSG-UHFFFAOYSA-N 1 0 343.427 2.084 20 70 EEIDRO C[C@H](C(=O)NCCc1ccccc1)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160861164 463377350 /nfs/dbraw/zinc/37/73/50/463377350.db2.gz XXWUBLGEONTFTH-YVWKXTFCSA-N 1 0 330.472 2.361 20 70 EEIDRO CC(C)NC(=O)C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000160905628 463380897 /nfs/dbraw/zinc/38/08/97/463380897.db2.gz BYNZSBAXLDTREL-UHFFFAOYSA-N 1 0 337.851 2.059 20 70 EEIDRO CC(C)OCCS(=O)(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000160966897 463386076 /nfs/dbraw/zinc/38/60/76/463386076.db2.gz AVTONTRKBLFNMF-UHFFFAOYSA-N 1 0 346.537 2.374 20 70 EEIDRO C[NH+](C)CCN(C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)C1CCCC1 ZINC000161010496 463390513 /nfs/dbraw/zinc/39/05/13/463390513.db2.gz IXDWDQFCAPEMNZ-ZACQAIPSSA-N 1 0 335.492 2.460 20 70 EEIDRO CNS(=O)(=O)c1ccc([C@@H](C)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000161131070 463401789 /nfs/dbraw/zinc/40/17/89/463401789.db2.gz NWIXPNRJLPTYLR-BMFZPTHFSA-N 1 0 339.505 2.118 20 70 EEIDRO C[NH2+]C[C@H]1CCCN1C(=O)CCNc1cc(Cl)ccc1OC ZINC000161378249 463426681 /nfs/dbraw/zinc/42/66/81/463426681.db2.gz PGIRGQQEBWHMFO-CYBMUJFWSA-N 1 0 325.840 2.361 20 70 EEIDRO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)cc1 ZINC000161407695 463428641 /nfs/dbraw/zinc/42/86/41/463428641.db2.gz YAHMTRSNCMOLDB-MRXNPFEDSA-N 1 0 340.427 2.391 20 70 EEIDRO CCn1cc([C@@H](C)[NH2+][C@H](C)c2cccc(S(=O)(=O)NC)c2)cn1 ZINC000161457707 463431980 /nfs/dbraw/zinc/43/19/80/463431980.db2.gz RKZHJXSUOYJGNR-CHWSQXEVSA-N 1 0 336.461 2.223 20 70 EEIDRO C[C@@H](O)C[C@H]1CCCN1C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000159990545 533763558 /nfs/dbraw/zinc/76/35/58/533763558.db2.gz WQIVCKCZZDDFTF-RWQQGDIJSA-N 1 0 345.487 2.452 20 70 EEIDRO C[C@H](CCCO)NC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000159577306 533880718 /nfs/dbraw/zinc/88/07/18/533880718.db2.gz XLBUGNSBJLCOCL-HUUCEWRRSA-N 1 0 334.464 2.067 20 70 EEIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cc(C(F)(F)F)ccc1F ZINC000160236948 534537702 /nfs/dbraw/zinc/53/77/02/534537702.db2.gz FPMXRSXXIBNGHP-GFCCVEGCSA-N 1 0 348.340 2.421 20 70 EEIDRO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[N@H+](C)C[C@@H]2CCC[C@@H]2O)c1 ZINC000159735523 527068688 /nfs/dbraw/zinc/06/86/88/527068688.db2.gz KZAYQSJZEHEJEK-IFIJOSMWSA-N 1 0 333.432 2.065 20 70 EEIDRO CCCN(CC)c1ccc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000160090399 528010048 /nfs/dbraw/zinc/01/00/48/528010048.db2.gz BPEDKMLPLMVJDC-LJQANCHMSA-N 1 0 347.503 2.500 20 70 EEIDRO CCC(=O)N1CC[C@@H](C(=O)N(CC)Cc2ccc(C[NH+](C)C)cc2)C1 ZINC000161495357 528334031 /nfs/dbraw/zinc/33/40/31/528334031.db2.gz OZVXHIVJNGXUIX-GOSISDBHSA-N 1 0 345.487 2.355 20 70 EEIDRO CC(C)[C@@H](CNC(=O)[C@H](C)Cc1ccccc1F)[NH+]1CCN(C)CC1 ZINC000160053037 528459585 /nfs/dbraw/zinc/45/95/85/528459585.db2.gz ISXUXBFNNKSRDQ-VQIMIIECSA-N 1 0 349.494 2.393 20 70 EEIDRO CCC(CC)(C[NH3+])C(=O)N(C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000161226869 528649455 /nfs/dbraw/zinc/64/94/55/528649455.db2.gz KQNSDNIRLNSRAW-OAHLLOKOSA-N 1 0 335.423 2.155 20 70 EEIDRO CCN1CC[NH+](C[C@H](C)CNC(=O)[C@H](C)Cc2ccccc2F)CC1 ZINC000160117233 529148054 /nfs/dbraw/zinc/14/80/54/529148054.db2.gz HVGIRISNVMAOFC-IAGOWNOFSA-N 1 0 349.494 2.394 20 70 EEIDRO CC[C@@H](C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000160180951 529400273 /nfs/dbraw/zinc/40/02/73/529400273.db2.gz ZGKRAXQNDDVACC-KCPJHIHWSA-N 1 0 337.851 2.044 20 70 EEIDRO C[C@@H](NC(=O)Nc1ccc(F)cc1OC(F)F)[C@@H]1CN(C)CCO1 ZINC000160127772 539520344 /nfs/dbraw/zinc/52/03/44/539520344.db2.gz VBCGBWSHAHBCPT-RNCFNFMXSA-N 1 0 347.337 2.268 20 70 EEIDRO Cc1noc(C)c1[C@H](C)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160231346 539520393 /nfs/dbraw/zinc/52/03/93/539520393.db2.gz MKKKRDOZDKMBEC-ZLIFDBKOSA-N 1 0 349.475 2.279 20 70 EEIDRO CN(Cc1ccc(F)cc1)C(=O)CN1CCN(c2cc[nH+]cc2)CC1 ZINC000161344792 539527068 /nfs/dbraw/zinc/52/70/68/539527068.db2.gz TZFKGHCMCZGLER-UHFFFAOYSA-N 1 0 342.418 2.001 20 70 EEIDRO C[C@H](C(=O)NC[C@H](O)C[NH+]1CCCCC1)c1cc2ccccc2o1 ZINC000160293974 237234775 /nfs/dbraw/zinc/23/47/75/237234775.db2.gz KFCXDTPZZJRVOW-HOCLYGCPSA-N 1 0 330.428 2.499 20 70 EEIDRO C[NH2+][C@H]1CCN(C(=O)c2ccccc2N(C)C(=O)c2cccs2)C1 ZINC000160525506 255798770 /nfs/dbraw/zinc/79/87/70/255798770.db2.gz RLVKXVZSTIODPG-ZDUSSCGKSA-N 1 0 343.452 2.459 20 70 EEIDRO C[C@H]([NH2+][C@@H]1CCCSC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000159520245 225233801 /nfs/dbraw/zinc/23/38/01/225233801.db2.gz JWMWHFDVBGBHIT-GXTWGEPZSA-N 1 0 328.503 2.483 20 70 EEIDRO C[C@H]1C[C@H](NC(=O)N(C)C[C@@H]2CCOC2)C[N@@H+]1Cc1ccccc1 ZINC000160278230 225378083 /nfs/dbraw/zinc/37/80/83/225378083.db2.gz YEQXDUORYQHAJE-SZMVWBNQSA-N 1 0 331.460 2.327 20 70 EEIDRO CCCCCn1nc(C(=O)N2CCC[C@@H]2C[NH3+])c2ccccc2c1=O ZINC000160130982 276229047 /nfs/dbraw/zinc/22/90/47/276229047.db2.gz AXYKTDXIHRIOAS-CQSZACIVSA-N 1 0 342.443 2.150 20 70 EEIDRO CO[C@@H]1CCN(C(=O)c2cccc(Br)c2)[C@H](C[NH3+])C1 ZINC000161042755 277291401 /nfs/dbraw/zinc/29/14/01/277291401.db2.gz RRMHNMKIBNJGTH-QWHCGFSZSA-N 1 0 327.222 2.027 20 70 EEIDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]CCOC[C@@H]2CCCO2)cc1 ZINC000159542839 311342559 /nfs/dbraw/zinc/34/25/59/311342559.db2.gz MZQTULFSUBTMOG-HOCLYGCPSA-N 1 0 341.473 2.326 20 70 EEIDRO CC[N@H+](C)Cc1cccc(CNC(=O)CNC(=O)CC2CCCC2)c1 ZINC000160924636 311360043 /nfs/dbraw/zinc/36/00/43/311360043.db2.gz XMDBYNZLGYOTCQ-UHFFFAOYSA-N 1 0 345.487 2.451 20 70 EEIDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)CNC(=O)CC1CCCC1 ZINC000161013248 311361182 /nfs/dbraw/zinc/36/11/82/311361182.db2.gz KXZORDAGMDBSKA-BZUAXINKSA-N 1 0 337.508 2.166 20 70 EEIDRO O=C(CCCc1nc(C2CC2)no1)N1CC[NH+](C2CCCC2)CC1 ZINC000159514377 463289653 /nfs/dbraw/zinc/28/96/53/463289653.db2.gz LNJVKRKJIMLSNU-UHFFFAOYSA-N 1 0 332.448 2.357 20 70 EEIDRO CC(=O)N1CCC(CCC(=O)NCC[NH2+]C2CCCCCC2)CC1 ZINC000159697208 463299704 /nfs/dbraw/zinc/29/97/04/463299704.db2.gz ZCNQRIGJTWZGQE-UHFFFAOYSA-N 1 0 337.508 2.454 20 70 EEIDRO [NH3+]C1(C(=O)NCCCC(=O)N2Cc3ccccc3C2)CCCCC1 ZINC000159804805 463305619 /nfs/dbraw/zinc/30/56/19/463305619.db2.gz WWHSZOAVDLHVSN-UHFFFAOYSA-N 1 0 329.444 2.087 20 70 EEIDRO C[NH+](C)CCCC1CCN(C(=O)NCc2ccc(C(N)=O)cc2)CC1 ZINC000160410579 463336254 /nfs/dbraw/zinc/33/62/54/463336254.db2.gz CAHRARSXGGCTIM-UHFFFAOYSA-N 1 0 346.475 2.049 20 70 EEIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(N3CCCC3=O)cc1)CC2 ZINC000160528500 463347069 /nfs/dbraw/zinc/34/70/69/463347069.db2.gz WTWVTJBBJKBRDC-XJKSGUPXSA-N 1 0 339.443 2.379 20 70 EEIDRO CCCC1(CNC(=O)[C@@H]2CC(=O)N(C[C@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000160537514 463348214 /nfs/dbraw/zinc/34/82/14/463348214.db2.gz TZANWTPPGRMBOO-HZPDHXFCSA-N 1 0 335.492 2.016 20 70 EEIDRO O=C(Cc1c[nH]c2ccc(Cl)cc12)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160566475 463350503 /nfs/dbraw/zinc/35/05/03/463350503.db2.gz ZKMJQQLLWXQTJR-OAHLLOKOSA-N 1 0 349.862 2.327 20 70 EEIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(C(F)(F)F)cc1 ZINC000160602998 463354249 /nfs/dbraw/zinc/35/42/49/463354249.db2.gz PJVRSKAQSDCVGB-CQSZACIVSA-N 1 0 330.350 2.282 20 70 EEIDRO Cc1ccccc1OCCCC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160646828 463358594 /nfs/dbraw/zinc/35/85/94/463358594.db2.gz HTHBJGRJFMSIBL-QGZVFWFLSA-N 1 0 334.460 2.117 20 70 EEIDRO COc1ccc(CCCCC(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000160682658 463362504 /nfs/dbraw/zinc/36/25/04/463362504.db2.gz AEZFRYNFQSKQSI-GOSISDBHSA-N 1 0 348.487 2.371 20 70 EEIDRO O=C(C[C@H]1CCC[NH2+]1)N[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000160935390 463384321 /nfs/dbraw/zinc/38/43/21/463384321.db2.gz VXCAKPYUMQPHFS-TZMCWYRMSA-N 1 0 335.835 2.094 20 70 EEIDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)s1 ZINC000160949979 463384773 /nfs/dbraw/zinc/38/47/73/463384773.db2.gz SFWPTJVRVIECFS-LBPRGKRZSA-N 1 0 331.441 2.122 20 70 EEIDRO C[C@H](CNC(=O)C(C)(C)C[NH3+])Oc1ccccc1Br ZINC000161141225 463403149 /nfs/dbraw/zinc/40/31/49/463403149.db2.gz BCLXSNTUCRRVCZ-SNVBAGLBSA-N 1 0 329.238 2.318 20 70 EEIDRO C[C@@H](CNC(=O)C[C@H]1CCC[NH2+]1)Oc1ccccc1Br ZINC000161144594 463404493 /nfs/dbraw/zinc/40/44/93/463404493.db2.gz ORGJDTDVVCJAGS-NWDGAFQWSA-N 1 0 341.249 2.475 20 70 EEIDRO CCC(CC)[C@@H](C[NH2+]C1CCC(NC(C)=O)CC1)N1CCOCC1 ZINC000161265975 463415216 /nfs/dbraw/zinc/41/52/16/463415216.db2.gz PGNWIQYODROPQD-CTWPCTMYSA-N 1 0 339.524 2.160 20 70 EEIDRO CC(C)(C)[NH+]1CCC(NC(=O)c2cc(S(C)(=O)=O)cs2)CC1 ZINC000161339733 463421746 /nfs/dbraw/zinc/42/17/46/463421746.db2.gz MUGCROYDKAGRTN-UHFFFAOYSA-N 1 0 344.502 2.144 20 70 EEIDRO Cn1c(=O)cccc1C(=O)N(CCCc1ccccc1)CC[NH+](C)C ZINC000161373392 463427024 /nfs/dbraw/zinc/42/70/24/463427024.db2.gz JQLKDUVGFBDNOZ-UHFFFAOYSA-N 1 0 341.455 2.022 20 70 EEIDRO COC(=O)c1cc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)oc1C ZINC000161403688 463428563 /nfs/dbraw/zinc/42/85/63/463428563.db2.gz PAUKUYUULWZVSV-CYBMUJFWSA-N 1 0 344.415 2.292 20 70 EEIDRO OC[C@H](Cc1c[nH]c2ccccc12)[NH2+]C1CCC2(CC1)OCCO2 ZINC000161495466 463434584 /nfs/dbraw/zinc/43/45/84/463434584.db2.gz WIDCRDXRNFJJCM-INIZCTEOSA-N 1 0 330.428 2.347 20 70 EEIDRO C[C@H]([NH2+]CCN1C(=O)CNC1=O)C(c1ccccc1)c1ccccc1 ZINC000159642200 533854438 /nfs/dbraw/zinc/85/44/38/533854438.db2.gz KRJCMDXYEDYEBA-HNNXBMFYSA-N 1 0 337.423 2.348 20 70 EEIDRO Cc1cccc(NC(=O)NC(=O)C[N@H+](C)C[C@@H]2CCC[C@@H]2O)c1C ZINC000159786352 534744403 /nfs/dbraw/zinc/74/44/03/534744403.db2.gz AFLTZQUMTXVEKL-HOCLYGCPSA-N 1 0 333.432 2.044 20 70 EEIDRO O=C(NCC1CC[NH+](CCO)CC1)c1ccc(Cl)cc1Cl ZINC000160686527 534820626 /nfs/dbraw/zinc/82/06/26/534820626.db2.gz LJJJDFDXNKDEQD-UHFFFAOYSA-N 1 0 331.243 2.428 20 70 EEIDRO CC(C)Oc1cc(CNC(=O)NC[C@@H](C)C[NH+]2CCCC2)ccn1 ZINC000159661142 528109713 /nfs/dbraw/zinc/10/97/13/528109713.db2.gz QOYCXFWAXAONFK-OAHLLOKOSA-N 1 0 334.464 2.400 20 70 EEIDRO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NCCn2cccc2)c1 ZINC000160120339 528197148 /nfs/dbraw/zinc/19/71/48/528197148.db2.gz LKLYMYNEXWUGQL-UHFFFAOYSA-N 1 0 342.443 2.085 20 70 EEIDRO CC[N@H+](CCOc1ccc(Br)cc1)[C@H]1CCN(C)C1=O ZINC000159616870 528573838 /nfs/dbraw/zinc/57/38/38/528573838.db2.gz YHQQRZZJGOWBDC-AWEZNQCLSA-N 1 0 341.249 2.381 20 70 EEIDRO CCC(CC)(C[NH3+])C(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1 ZINC000161264485 528650360 /nfs/dbraw/zinc/65/03/60/528650360.db2.gz MOGRMUCLWJZGSD-UHFFFAOYSA-N 1 0 349.450 2.442 20 70 EEIDRO CC/C(=C/C(=O)N1CCN(C(=O)C[NH+](C)C)CC1)c1ccc(C)cc1 ZINC000160268731 528748421 /nfs/dbraw/zinc/74/84/21/528748421.db2.gz PXDYCZYTYQCLAF-VKAVYKQESA-N 1 0 343.471 2.021 20 70 EEIDRO CC[N@@H+]1CCCN(C(=O)NCCN2c3ccccc3C[C@@H]2C)CC1 ZINC000159776847 529024916 /nfs/dbraw/zinc/02/49/16/529024916.db2.gz IOABBKLFMIIYMF-INIZCTEOSA-N 1 0 330.476 2.175 20 70 EEIDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@H](C)Cc2ccccc2F)CC1 ZINC000160117113 529147307 /nfs/dbraw/zinc/14/73/07/529147307.db2.gz HVGIRISNVMAOFC-DLBZAZTESA-N 1 0 349.494 2.394 20 70 EEIDRO COc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1Br ZINC000159795268 237222595 /nfs/dbraw/zinc/22/25/95/237222595.db2.gz QFONXXKQGOLOTE-TXEJJXNPSA-N 1 0 339.233 2.424 20 70 EEIDRO CC(C)OC(=O)CCCNC(=O)NC[C@H](C(C)C)[NH+]1CCCC1 ZINC000159659636 143801499 /nfs/dbraw/zinc/80/14/99/143801499.db2.gz JCZJAXIPJKRHSG-OAHLLOKOSA-N 1 0 327.469 2.138 20 70 EEIDRO O=C(Nc1ccc(C(=O)N2CC[NH2+]CC2)s1)Nc1ccccc1 ZINC000159382448 225207720 /nfs/dbraw/zinc/20/77/20/225207720.db2.gz ZRHJRUBWRAFHPP-UHFFFAOYSA-N 1 0 330.413 2.438 20 70 EEIDRO COC1(C(=O)Nc2ccc(O[C@@H]3CCCC[C@@H]3O)cc2)CC[NH2+]CC1 ZINC000159424410 225215169 /nfs/dbraw/zinc/21/51/69/225215169.db2.gz PWCNWKBYEJHHDZ-DLBZAZTESA-N 1 0 348.443 2.076 20 70 EEIDRO C[C@@](O)(CNc1cc(-n2cccn2)nc(N)[nH+]1)c1ccccc1Cl ZINC000160195154 225358702 /nfs/dbraw/zinc/35/87/02/225358702.db2.gz AQTZUWXHDWWZSH-MRXNPFEDSA-N 1 0 344.806 2.218 20 70 EEIDRO C[C@@]1(O)CCCN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000159631397 311343912 /nfs/dbraw/zinc/34/39/12/311343912.db2.gz WGBBWIGERSYNSY-PKOBYXMFSA-N 1 0 331.460 2.380 20 70 EEIDRO Cc1nn(Cc2ccc(C)cc2)c(C)c1/C=C/C(=O)NCCC[NH3+] ZINC000160121842 311350120 /nfs/dbraw/zinc/35/01/20/311350120.db2.gz AEDXXBAKNJMZTI-MDZDMXLPSA-N 1 0 326.444 2.335 20 70 EEIDRO C[C@@H](C(=O)N(C)CC(C)(C)CN1CCOCC1)[NH+]1CCCCCC1 ZINC000160302230 311352733 /nfs/dbraw/zinc/35/27/33/311352733.db2.gz CSQTWCZKIBNLRP-KRWDZBQOSA-N 1 0 339.524 2.068 20 70 EEIDRO CC(C)C[C@@H](CO)NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000160986737 311361154 /nfs/dbraw/zinc/36/11/54/311361154.db2.gz LBUQZZNJXRDYMH-SFHVURJKSA-N 1 0 347.503 2.112 20 70 EEIDRO CC[N@@H+]1CCCN(C(=O)NC[C@@H](c2ccccc2OC)N(C)C)CC1 ZINC000159533055 463290891 /nfs/dbraw/zinc/29/08/91/463290891.db2.gz KDXQRRGWFUEOFK-KRWDZBQOSA-N 1 0 348.491 2.035 20 70 EEIDRO C[C@@H]1C[C@H](NC(=O)N(C)[C@@H]2CCCc3c2cnn3C)C[N@@H+]1C1CC1 ZINC000159525572 463291046 /nfs/dbraw/zinc/29/10/46/463291046.db2.gz KVKGHVINPUREST-DVOMOZLQSA-N 1 0 331.464 2.064 20 70 EEIDRO CCC(CC)(CNC(=O)NC[C@H](C)C[NH+]1CCCCC1)C(=O)OC ZINC000159686993 463300279 /nfs/dbraw/zinc/30/02/79/463300279.db2.gz AUADDKBEAVSCSV-HNNXBMFYSA-N 1 0 341.496 2.387 20 70 EEIDRO Cc1nc(COc2ccc(C[NH+]3CCC(CC(N)=O)CC3)cc2)no1 ZINC000159827520 463306059 /nfs/dbraw/zinc/30/60/59/463306059.db2.gz CDGVZEFHOVOJCV-UHFFFAOYSA-N 1 0 344.415 2.044 20 70 EEIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](c2nc(C3CC3)no2)C(C)C)CC1 ZINC000159812986 463306880 /nfs/dbraw/zinc/30/68/80/463306880.db2.gz XZNONAHUGQQALV-AWEZNQCLSA-N 1 0 335.452 2.381 20 70 EEIDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc(C(C)(C)C(N)=O)cc1 ZINC000160032020 463316249 /nfs/dbraw/zinc/31/62/49/463316249.db2.gz PEMHBGJRPSRNIR-CQSZACIVSA-N 1 0 346.475 2.445 20 70 EEIDRO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc(C(C)(C)C(N)=O)cc2)C1 ZINC000160058714 463317455 /nfs/dbraw/zinc/31/74/55/463317455.db2.gz ASAOHQDGJDXOAF-OAHLLOKOSA-N 1 0 332.448 2.055 20 70 EEIDRO COc1ccc(C[N@H+](C)[C@@H]2CCCN(c3cnn(C)c3)C2=O)cc1C ZINC000160505692 463344741 /nfs/dbraw/zinc/34/47/41/463344741.db2.gz OCPHEQRFPXSQDX-QGZVFWFLSA-N 1 0 342.443 2.365 20 70 EEIDRO Cc1cccc(OCCCCC(=O)NCC2CC[NH+](CCO)CC2)c1 ZINC000160668614 463359823 /nfs/dbraw/zinc/35/98/23/463359823.db2.gz TVKARYWRHGKPEZ-UHFFFAOYSA-N 1 0 348.487 2.365 20 70 EEIDRO C[C@H](CNC(=O)N1CCCN(CC(F)F)CC1)C[NH+]1CCCCC1 ZINC000160706618 463363957 /nfs/dbraw/zinc/36/39/57/463363957.db2.gz KOUVGNCCBQAJRQ-OAHLLOKOSA-N 1 0 346.466 2.091 20 70 EEIDRO COCCN(Cc1ccco1)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160904967 463380628 /nfs/dbraw/zinc/38/06/28/463380628.db2.gz KKDCTGUJUJSURZ-HNNXBMFYSA-N 1 0 335.448 2.455 20 70 EEIDRO CC(C)Oc1cccc([C@@H](O)CNC(=O)[C@@H]([NH3+])Cc2ccccc2)c1 ZINC000160962122 463386548 /nfs/dbraw/zinc/38/65/48/463386548.db2.gz XNAWCJOMRBEYHW-OALUTQOASA-N 1 0 342.439 2.193 20 70 EEIDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cnc2c(C)cc(F)cc2c1O ZINC000161090165 463398769 /nfs/dbraw/zinc/39/87/69/463398769.db2.gz OAMLXYQVZJQQMU-ZDUSSCGKSA-N 1 0 331.391 2.190 20 70 EEIDRO C[C@@H](CNC(=O)C1([NH3+])Cc2ccccc2C1)Oc1ccc(F)cc1 ZINC000161121938 463401689 /nfs/dbraw/zinc/40/16/89/463401689.db2.gz QTRCJPPFXXHVOX-ZDUSSCGKSA-N 1 0 328.387 2.206 20 70 EEIDRO CC1CC[NH+](C2CCC(NC(=O)Cn3ccccc3=O)CC2)CC1 ZINC000161481268 463432970 /nfs/dbraw/zinc/43/29/70/463432970.db2.gz FBZDTLBENMQNEO-UHFFFAOYSA-N 1 0 331.460 2.008 20 70 EEIDRO CC(=O)CCc1ccc(OCCC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000161490413 463433479 /nfs/dbraw/zinc/43/34/79/463433479.db2.gz DIAFJJCNJPPAEI-DLBZAZTESA-N 1 0 332.444 2.363 20 70 EEIDRO O=C([C@H](c1ccccc1)N1CCSCC1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159920983 534624727 /nfs/dbraw/zinc/62/47/27/534624727.db2.gz JWEOGTGLVHBWCC-KSZLIROESA-N 1 0 345.512 2.129 20 70 EEIDRO CCCNC(=O)c1cccc(CNC(=O)N2CCC[N@H+](CC)CC2)c1 ZINC000159630632 528460715 /nfs/dbraw/zinc/46/07/15/528460715.db2.gz ACCAFWOUSSHZLS-UHFFFAOYSA-N 1 0 346.475 2.064 20 70 EEIDRO CCC(CC)(C[NH3+])C(=O)N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000161271294 528649473 /nfs/dbraw/zinc/64/94/73/528649473.db2.gz GPNLBRDNIPMVNV-HNNXBMFYSA-N 1 0 346.475 2.332 20 70 EEIDRO CCC(CC)(C[NH2+]CCS(=O)(=O)c1ccccc1)C(=O)OC ZINC000159667807 528691472 /nfs/dbraw/zinc/69/14/72/528691472.db2.gz AGLQAYXVPRNXBX-UHFFFAOYSA-N 1 0 327.446 2.029 20 70 EEIDRO CC(C)[C@H](C(=O)N(C)Cc1ccccc1N1CCOCC1)[NH+](C)C ZINC000160019546 528909578 /nfs/dbraw/zinc/90/95/78/528909578.db2.gz UGJFPQLCZFXPHN-GOSISDBHSA-N 1 0 333.476 2.068 20 70 EEIDRO CCC([NH3+])(CC)CNC(=O)C1CCC(NC(=O)C2CCCC2)CC1 ZINC000160515660 528925760 /nfs/dbraw/zinc/92/57/60/528925760.db2.gz JSQHCJDDKFYCTH-UHFFFAOYSA-N 1 0 337.508 2.485 20 70 EEIDRO CC[C@H](C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000160181132 529218108 /nfs/dbraw/zinc/21/81/08/529218108.db2.gz ZGKRAXQNDDVACC-NILFDRSVSA-N 1 0 337.851 2.044 20 70 EEIDRO COc1ccc(NC(=O)[C@@H](C)N2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000161378482 539527167 /nfs/dbraw/zinc/52/71/67/539527167.db2.gz GIFNVANWQLESJQ-OAHLLOKOSA-N 1 0 340.427 2.239 20 70 EEIDRO O=C(NC1CC1)[C@@H](c1ccccc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161359125 539527301 /nfs/dbraw/zinc/52/73/01/539527301.db2.gz XXNLYSQXOOTOJQ-LJQANCHMSA-N 1 0 336.439 2.224 20 70 EEIDRO C[C@@H]([NH2+]CCCN1CCCC1=O)c1cccc(N2CCOC2=O)c1 ZINC000159469321 533380868 /nfs/dbraw/zinc/38/08/68/533380868.db2.gz BARITYHVIRPKCO-CQSZACIVSA-N 1 0 331.416 2.306 20 70 EEIDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NC[C@@H](O)C(C)(C)C)CC1 ZINC000161318614 287157495 /nfs/dbraw/zinc/15/74/95/287157495.db2.gz HBQUQYUPYAMPRS-WMLDXEAASA-N 1 0 348.491 2.313 20 70 EEIDRO C[C@@H]1C[NH+](CCCCNC(=O)c2cccc3[nH]cnc32)C[C@@H](C)O1 ZINC000159829183 225284749 /nfs/dbraw/zinc/28/47/49/225284749.db2.gz WQICATUOSGFUSV-ZIAGYGMSSA-N 1 0 330.432 2.182 20 70 EEIDRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000160352169 225394923 /nfs/dbraw/zinc/39/49/23/225394923.db2.gz BMRGERFCUZFNKY-VHSXEESVSA-N 1 0 344.242 2.061 20 70 EEIDRO C[C@@H]1C[C@@H](NC(=O)N2CC[C@]3(CCOC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000160285110 274389247 /nfs/dbraw/zinc/38/92/47/274389247.db2.gz VXUOJKUMVSRSKY-POAQFYNOSA-N 1 0 343.471 2.471 20 70 EEIDRO CO[C@@H]1CCN(C(=O)c2ccccc2Br)[C@H](C[NH3+])C1 ZINC000161120576 277654380 /nfs/dbraw/zinc/65/43/80/277654380.db2.gz WSHMKXHMLSOXSF-WDEREUQCSA-N 1 0 327.222 2.027 20 70 EEIDRO CCCCCn1nc(C(=O)N2CCC[C@H]2C[NH3+])c2ccccc2c1=O ZINC000160131114 278678424 /nfs/dbraw/zinc/67/84/24/278678424.db2.gz AXYKTDXIHRIOAS-AWEZNQCLSA-N 1 0 342.443 2.150 20 70 EEIDRO COc1c(CNc2ccc(OC3CC[NH+](C)CC3)nc2)c(C)nn1C ZINC000160148113 311350525 /nfs/dbraw/zinc/35/05/25/311350525.db2.gz UOCYQUSHMOWQTQ-UHFFFAOYSA-N 1 0 345.447 2.217 20 70 EEIDRO CC[C@@H]1CCN(c2nc(NCCOC)nc(N3CC[C@H](CC)C3)n2)C1 ZINC000160801717 311358618 /nfs/dbraw/zinc/35/86/18/311358618.db2.gz CJRUMSJXHTVTPW-GASCZTMLSA-N 1 0 348.495 2.403 20 70 EEIDRO COc1cc(C)ccc1NC(=O)C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000159414593 463286551 /nfs/dbraw/zinc/28/65/51/463286551.db2.gz LKRIPFWMTVCCCW-OAHLLOKOSA-N 1 0 347.459 2.036 20 70 EEIDRO COC(=O)CCc1nnc(NC(=O)CC[C@@H]([NH3+])c2ccccc2)s1 ZINC000159459339 463287789 /nfs/dbraw/zinc/28/77/89/463287789.db2.gz RIIFBAZEPDKKLN-GFCCVEGCSA-N 1 0 348.428 2.062 20 70 EEIDRO CCC(CC)N1C[C@H](C(=O)N2CCC([NH2+]CC3CC3)CC2)CC1=O ZINC000159774974 463303794 /nfs/dbraw/zinc/30/37/94/463303794.db2.gz NNEAZECAMOVJIK-OAHLLOKOSA-N 1 0 335.492 2.014 20 70 EEIDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(C)CC1(O)CCCC1 ZINC000160002760 463314813 /nfs/dbraw/zinc/31/48/13/463314813.db2.gz UMYRWODIYJCKDH-WMZOPIPTSA-N 1 0 345.487 2.453 20 70 EEIDRO C[C@@H]1C[C@@H](NC(=O)N(C)CCn2cccn2)C[N@@H+]1Cc1ccccc1 ZINC000160404052 463334579 /nfs/dbraw/zinc/33/45/79/463334579.db2.gz CCSVCFCTMGJUMO-SJLPKXTDSA-N 1 0 341.459 2.188 20 70 EEIDRO COC[C@@H](NC(=O)Nc1ccc(C)cc1OCC[NH+](C)C)C1CC1 ZINC000160462081 463341290 /nfs/dbraw/zinc/34/12/90/463341290.db2.gz LRFMGXCSYXVQTN-MRXNPFEDSA-N 1 0 335.448 2.482 20 70 EEIDRO CCCC1(CNC(=O)[C@@H]2CC(=O)N(C[C@@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000160537268 463348061 /nfs/dbraw/zinc/34/80/61/463348061.db2.gz TZANWTPPGRMBOO-CVEARBPZSA-N 1 0 335.492 2.016 20 70 EEIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@H]1C[C@@H]1c1ccccc1Cl ZINC000160600668 463353580 /nfs/dbraw/zinc/35/35/80/463353580.db2.gz PTOHNGIHJPRMHK-IMJJTQAJSA-N 1 0 336.863 2.407 20 70 EEIDRO C[C@H]1CCC[C@@H](C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000160757438 463368448 /nfs/dbraw/zinc/36/84/48/463368448.db2.gz UPVKYMWZCGXELY-DOTOQJQBSA-N 1 0 330.476 2.276 20 70 EEIDRO O=C(Nc1ccn(CC(F)(F)F)n1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000160796685 463372020 /nfs/dbraw/zinc/37/20/20/463372020.db2.gz KLOZOWKWVRQMJM-LLVKDONJSA-N 1 0 331.342 2.147 20 70 EEIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2nn(-c3ccccc3F)c3c2CCC3)C1 ZINC000160867690 463378163 /nfs/dbraw/zinc/37/81/63/463378163.db2.gz QVZFCSJAZGMYSG-CHWSQXEVSA-N 1 0 342.418 2.500 20 70 EEIDRO Cn1cnc2cc(C(=O)NCc3ccc(C[NH+](C)C)c(F)c3)cnc21 ZINC000161024402 463391861 /nfs/dbraw/zinc/39/18/61/463391861.db2.gz KLAVEFXTHPEWOV-UHFFFAOYSA-N 1 0 341.390 2.099 20 70 EEIDRO C[C@H](C(=O)NCCc1ccc(F)cc1)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161185364 463408364 /nfs/dbraw/zinc/40/83/64/463408364.db2.gz FRKXQNZGKZAQDZ-WRWLIDTKSA-N 1 0 348.462 2.500 20 70 EEIDRO COc1ccc(-c2cc(C(=O)NC3CC[NH+](C4CC4)CC3)[nH]n2)cc1 ZINC000161236479 463412839 /nfs/dbraw/zinc/41/28/39/463412839.db2.gz LOTWNTJRHDKZIO-UHFFFAOYSA-N 1 0 340.427 2.442 20 70 EEIDRO CC[C@@H](C)[C@H](O)CNC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000161250246 463413667 /nfs/dbraw/zinc/41/36/67/463413667.db2.gz RYKILAJHCAYVOY-RVKKMQEKSA-N 1 0 348.491 2.313 20 70 EEIDRO [NH3+]C1(CNC(=O)CC[C@H]2Cc3ccccc3NC2=O)CCCCC1 ZINC000159527757 534536557 /nfs/dbraw/zinc/53/65/57/534536557.db2.gz PFSOKANJLSHSLC-HNNXBMFYSA-N 1 0 329.444 2.355 20 70 EEIDRO O=C(/C=C/c1cccs1)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000159361197 534779435 /nfs/dbraw/zinc/77/94/35/534779435.db2.gz KFRFQBFHWNVXSE-IWAYRVGRSA-N 1 0 342.464 2.297 20 70 EEIDRO CC(C)OC(=O)CCCNC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000159472640 527776055 /nfs/dbraw/zinc/77/60/55/527776055.db2.gz ZYOYASYESFUWAN-MRXNPFEDSA-N 1 0 335.448 2.320 20 70 EEIDRO CCC[C@@H]1CN(C(=O)N[C@@H](C)c2cccnc2)CC[N@@H+]1CCOC ZINC000159904487 527779872 /nfs/dbraw/zinc/77/98/72/527779872.db2.gz TUIDWELAJOWPGF-DOTOQJQBSA-N 1 0 334.464 2.285 20 70 EEIDRO CC[NH+](CC)Cc1ccc(CNC(=O)C(=O)Nc2nocc2C)cc1 ZINC000160097113 528188728 /nfs/dbraw/zinc/18/87/28/528188728.db2.gz SPJHKVXVWSIEAF-UHFFFAOYSA-N 1 0 344.415 2.080 20 70 EEIDRO CCC[C@H]1CN(C(=O)NCc2nc(C)cs2)CC[N@@H+]1CCOC ZINC000160074802 528394724 /nfs/dbraw/zinc/39/47/24/528394724.db2.gz LRJCXMSFXAFVTB-AWEZNQCLSA-N 1 0 340.493 2.094 20 70 EEIDRO CCCc1noc(CCCC(=O)N2CCC([NH2+]CC3CC3)CC2)n1 ZINC000159857407 535557394 /nfs/dbraw/zinc/55/73/94/535557394.db2.gz ARNXZWVAWHTRMK-UHFFFAOYSA-N 1 0 334.464 2.335 20 70 EEIDRO COc1cccc(COCCNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000160619643 539523204 /nfs/dbraw/zinc/52/32/04/539523204.db2.gz DVIXMKHKNHMVDW-QGZVFWFLSA-N 1 0 347.459 2.092 20 70 EEIDRO C[C@H](C(=O)N1CCc2ccccc21)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161329751 539527753 /nfs/dbraw/zinc/52/77/53/539527753.db2.gz SABZIBISDTYBOW-MRXNPFEDSA-N 1 0 336.439 2.181 20 70 EEIDRO COCc1cc([C@@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)ccc1OC ZINC000160492669 255797986 /nfs/dbraw/zinc/79/79/86/255797986.db2.gz FNERVXLMTJPYEM-WBMJQRKESA-N 1 0 330.432 2.407 20 70 EEIDRO CN(C(=O)CC1([NH+]2CCOCC2)CCCC1)c1ccc2c(c1)OCO2 ZINC000160278403 225377960 /nfs/dbraw/zinc/37/79/60/225377960.db2.gz QEQPVPRMNXXGHA-UHFFFAOYSA-N 1 0 346.427 2.413 20 70 EEIDRO CC(=O)NC1CCC([NH2+][C@@H](CN2CCCC2=O)c2ccccc2)CC1 ZINC000161305378 277024859 /nfs/dbraw/zinc/02/48/59/277024859.db2.gz RUCAJVTWJGSMFB-ACBHZAAOSA-N 1 0 343.471 2.387 20 70 EEIDRO CC(=O)NCCC[NH2+][C@@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000160442828 311354344 /nfs/dbraw/zinc/35/43/44/311354344.db2.gz VUXUXNFPMAQTKH-DZGCQCFKSA-N 1 0 327.469 2.280 20 70 EEIDRO CC[C@H](C)C(=O)N1CCC[C@H](C(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000159375813 463283064 /nfs/dbraw/zinc/28/30/64/463283064.db2.gz DXDYINFEKJBLDK-GJZGRUSLSA-N 1 0 335.492 2.014 20 70 EEIDRO [NH3+]CCCC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000159507184 463290388 /nfs/dbraw/zinc/29/03/88/463290388.db2.gz RPTSCIJUHNXQBO-KRWDZBQOSA-N 1 0 325.412 2.092 20 70 EEIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cnn(Cc3ccccc3)c1)CC2 ZINC000160510693 463345300 /nfs/dbraw/zinc/34/53/00/463345300.db2.gz RMYPSTAYMOIXNB-KBXCAEBGSA-N 1 0 336.443 2.497 20 70 EEIDRO NC(=O)CCN(C(=O)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21)c1ccc(F)cc1 ZINC000160543698 463348087 /nfs/dbraw/zinc/34/80/87/463348087.db2.gz DLDLUAJNTGJIGO-YOEHRIQHSA-N 1 0 347.434 2.299 20 70 EEIDRO COc1cc([C@H](C)[NH2+]C[C@H]2CCCC[C@@H]2O)ccc1S(C)(=O)=O ZINC000160541484 463348293 /nfs/dbraw/zinc/34/82/93/463348293.db2.gz FZGIIUREPIIFDN-CFVMTHIKSA-N 1 0 341.473 2.300 20 70 EEIDRO COCCOc1ccc([C@@H](C)[NH2+]CC(=O)NCC(F)(F)F)cc1 ZINC000160546277 463349577 /nfs/dbraw/zinc/34/95/77/463349577.db2.gz FRPGKTMXOWNQPT-LLVKDONJSA-N 1 0 334.338 2.041 20 70 EEIDRO CC[NH+](CC)CC(=O)N1CCN(CCCc2cccc(OC)c2)CC1 ZINC000160580179 463352459 /nfs/dbraw/zinc/35/24/59/463352459.db2.gz QICXVNTXKVWWDJ-UHFFFAOYSA-N 1 0 347.503 2.114 20 70 EEIDRO CCn1nnnc1-c1cccc(NC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)c1 ZINC000161127090 463401775 /nfs/dbraw/zinc/40/17/75/463401775.db2.gz MLJFAVOUSCNDEV-UHOFOFEASA-N 1 0 340.431 2.219 20 70 EEIDRO CCn1cc([C@H](C)[NH2+][C@@H](C)c2cccc(S(=O)(=O)NC)c2)cn1 ZINC000161457593 463432609 /nfs/dbraw/zinc/43/26/09/463432609.db2.gz RKZHJXSUOYJGNR-STQMWFEESA-N 1 0 336.461 2.223 20 70 EEIDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)CCc1nc(-c2ccoc2)no1 ZINC000159751712 533816609 /nfs/dbraw/zinc/81/66/09/533816609.db2.gz LRXPUCYYHWYTCV-ZDUSSCGKSA-N 1 0 332.404 2.253 20 70 EEIDRO CCC[N@H+](CC)CCNC(=O)Nc1ccc(-c2ncn(C)n2)cc1 ZINC000160928911 527971293 /nfs/dbraw/zinc/97/12/93/527971293.db2.gz RAEXPUIHTFDULD-UHFFFAOYSA-N 1 0 330.436 2.336 20 70 EEIDRO CC[N@@H+]1CCCN(C(=O)NCc2ccccc2Cn2cccn2)CC1 ZINC000159569960 529029022 /nfs/dbraw/zinc/02/90/22/529029022.db2.gz LXJJBYBHASZDSC-UHFFFAOYSA-N 1 0 341.459 2.169 20 70 EEIDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000159728005 529393722 /nfs/dbraw/zinc/39/37/22/529393722.db2.gz HVXXCMLLPXAJGG-HUUCEWRRSA-N 1 0 340.489 2.232 20 70 EEIDRO C[C@@H](C(=O)N(C)Cc1ccccc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161322764 539527144 /nfs/dbraw/zinc/52/71/44/539527144.db2.gz WOPNXMWBRXYIAN-KRWDZBQOSA-N 1 0 338.455 2.251 20 70 EEIDRO CC[C@@](C)(O)C[NH+]1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000160536852 255798563 /nfs/dbraw/zinc/79/85/63/255798563.db2.gz WNGRSSARWUEOBG-MRXNPFEDSA-N 1 0 336.461 2.077 20 70 EEIDRO C[C@@H]([NH2+][C@@H]1CCCSC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000159520374 533521421 /nfs/dbraw/zinc/52/14/21/533521421.db2.gz JWMWHFDVBGBHIT-TZMCWYRMSA-N 1 0 328.503 2.483 20 70 EEIDRO C[C@@]1(O)CCCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000159777035 225275925 /nfs/dbraw/zinc/27/59/25/225275925.db2.gz IZXNMWHGSGFHOF-CRAIPNDOSA-N 1 0 335.448 2.363 20 70 EEIDRO O=C(c1cc(F)cc2nccnc21)N1CCC([NH2+]CC2CC2)CC1 ZINC000159790109 225278730 /nfs/dbraw/zinc/27/87/30/225278730.db2.gz HKGVYNRESQHRAW-UHFFFAOYSA-N 1 0 328.391 2.373 20 70 EEIDRO C[C@@H](CC(=O)NC[C@H](O)C[NH+]1CCCCC1)Cc1cccc(F)c1 ZINC000160292165 225380832 /nfs/dbraw/zinc/38/08/32/225380832.db2.gz ILVTZNFGSUCSPK-QAPCUYQASA-N 1 0 336.451 2.357 20 70 EEIDRO Cc1cc(C)c(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)[nH]1 ZINC000159660870 311344277 /nfs/dbraw/zinc/34/42/77/311344277.db2.gz WSPUSSPICDZVCG-UHFFFAOYSA-N 1 0 340.471 2.179 20 70 EEIDRO CN(CC[NH+]1CCCC1)C(=O)Nc1ccc(-c2ncn(C)n2)cc1 ZINC000160742790 311358240 /nfs/dbraw/zinc/35/82/40/311358240.db2.gz SHBWRQFICZPXLV-UHFFFAOYSA-N 1 0 328.420 2.042 20 70 EEIDRO CC[C@H](C)[C@@H]([NH3+])C(=O)NCC1CCN(C(=O)c2ccccc2)CC1 ZINC000159685414 463300033 /nfs/dbraw/zinc/30/00/33/463300033.db2.gz JQQPOHRNRXNOIE-WMLDXEAASA-N 1 0 331.460 2.028 20 70 EEIDRO CC(C)NC(=O)c1ccc(C(=O)NCC[NH+]2CCC(C)CC2)cc1 ZINC000160462242 463341386 /nfs/dbraw/zinc/34/13/86/463341386.db2.gz RVFHENSHZPDWIN-UHFFFAOYSA-N 1 0 331.460 2.287 20 70 EEIDRO CC(C)NC(=O)c1ccc(C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000160497677 463344723 /nfs/dbraw/zinc/34/47/23/463344723.db2.gz SXCDRIAVLAFCGY-OAHLLOKOSA-N 1 0 331.460 2.287 20 70 EEIDRO CCOC(=O)C1(C(=O)N2CC[NH+]([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)CCC1 ZINC000160783095 463370075 /nfs/dbraw/zinc/37/00/75/463370075.db2.gz SEEVJVFWNBIRPM-ARFHVFGLSA-N 1 0 334.460 2.053 20 70 EEIDRO Cc1cc(C)cc([C@@H](C)[NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)c1 ZINC000160950125 463385092 /nfs/dbraw/zinc/38/50/92/463385092.db2.gz AFGOKNCIZAHKCC-OAHLLOKOSA-N 1 0 339.439 2.369 20 70 EEIDRO C[C@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)c1cc(F)cc(F)c1 ZINC000160999020 463389097 /nfs/dbraw/zinc/38/90/97/463389097.db2.gz LFLAOWLCGCDJFL-NSHDSACASA-N 1 0 347.365 2.031 20 70 EEIDRO CCC[C@H](C(=O)N1CCN(c2cc(C)nc(C(C)C)n2)CC1)[NH+](C)C ZINC000161338623 463422095 /nfs/dbraw/zinc/42/20/95/463422095.db2.gz QAMCJMMCJLRYEI-MRXNPFEDSA-N 1 0 347.507 2.287 20 70 EEIDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H](C)C2CCOCC2)c1 ZINC000161502318 463434593 /nfs/dbraw/zinc/43/45/93/463434593.db2.gz XOIGYIVLTJTOOO-STQMWFEESA-N 1 0 326.462 2.060 20 70 EEIDRO COc1cc(C[NH+]2CCC(CC(N)=O)CC2)ccc1OC(=O)C1CC1 ZINC000159768057 533800182 /nfs/dbraw/zinc/80/01/82/533800182.db2.gz FWEMFIMJMPOTOR-UHFFFAOYSA-N 1 0 346.427 2.098 20 70 EEIDRO O=C(NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)[C@@H]1CCCCO1 ZINC000159949297 534821016 /nfs/dbraw/zinc/82/10/16/534821016.db2.gz CEDHHMLOZIBVTO-MOPGFXCFSA-N 1 0 346.471 2.117 20 70 EEIDRO CCOc1cccc2cc([C@@H](C)[NH2+]CCN3C(=O)CNC3=O)oc21 ZINC000159774765 528698224 /nfs/dbraw/zinc/69/82/24/528698224.db2.gz WFWFHSILSJTSLY-LLVKDONJSA-N 1 0 331.372 2.034 20 70 EEIDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C)nc1Br ZINC000160332321 529106663 /nfs/dbraw/zinc/10/66/63/529106663.db2.gz ZGYGCIHGBJXYQI-NSHDSACASA-N 1 0 326.238 2.367 20 70 EEIDRO COCc1cc([C@H](C)[NH2+]CC(=O)NCC(F)(F)F)ccc1OC ZINC000160592797 255799391 /nfs/dbraw/zinc/79/93/91/255799391.db2.gz GWJKRTIIJBXXEV-JTQLQIEISA-N 1 0 334.338 2.171 20 70 EEIDRO Cc1ccc2c(c1)[C@@H](NC(=O)[C@@H]([NH2+]C1CCOCC1)C(C)C)CO2 ZINC000160128507 143807120 /nfs/dbraw/zinc/80/71/20/143807120.db2.gz UKCVUMFAKBXRFT-WMZOPIPTSA-N 1 0 332.444 2.338 20 70 EEIDRO Cc1cccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)c1C ZINC000159395754 225208954 /nfs/dbraw/zinc/20/89/54/225208954.db2.gz UIRKFNDCCIHBKP-INIZCTEOSA-N 1 0 331.460 2.336 20 70 EEIDRO CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)C1(OC)CC[NH2+]CC1 ZINC000159458256 225221450 /nfs/dbraw/zinc/22/14/50/225221450.db2.gz NFQRGPUZGFUPMF-IUODEOHRSA-N 1 0 340.851 2.301 20 70 EEIDRO C[C@H](c1ccncc1)[NH+]1CCC(N[C@H](C(N)=O)c2ccccc2)CC1 ZINC000159907384 225299669 /nfs/dbraw/zinc/29/96/69/225299669.db2.gz FDWQKFNXKLRMAB-BEFAXECRSA-N 1 0 338.455 2.423 20 70 EEIDRO O=C(NCCc1nc(-c2cccc(Cl)c2)no1)[C@H]1CCC[NH2+]C1 ZINC000160174929 225354772 /nfs/dbraw/zinc/35/47/72/225354772.db2.gz RSVOFQMUBHYWQC-LBPRGKRZSA-N 1 0 334.807 2.048 20 70 EEIDRO CCCCNc1ccccc1C(=O)NCC1CC[NH+](CCO)CC1 ZINC000160008737 311348977 /nfs/dbraw/zinc/34/89/77/311348977.db2.gz ATFNKRNISCAQAD-UHFFFAOYSA-N 1 0 333.476 2.333 20 70 EEIDRO CCC([NH3+])(CC)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000160144316 311350440 /nfs/dbraw/zinc/35/04/40/311350440.db2.gz ANGIECRAMCVFHQ-UHFFFAOYSA-N 1 0 340.367 2.381 20 70 EEIDRO CC(=O)NCCC[NH2+][C@H](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000160442683 311354336 /nfs/dbraw/zinc/35/43/36/311354336.db2.gz VUXUXNFPMAQTKH-HIFRSBDPSA-N 1 0 327.469 2.280 20 70 EEIDRO CCCN(Cc1c[nH]nc1-c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000161085204 311361894 /nfs/dbraw/zinc/36/18/94/311361894.db2.gz UILNMDNWORFVBH-INIZCTEOSA-N 1 0 333.457 2.476 20 70 EEIDRO CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000159376091 463283186 /nfs/dbraw/zinc/28/31/86/463283186.db2.gz DXDYINFEKJBLDK-LSDHHAIUSA-N 1 0 335.492 2.014 20 70 EEIDRO CC(=O)Nc1ccc(S[C@H](C)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000159755535 463303762 /nfs/dbraw/zinc/30/37/62/463303762.db2.gz SMKGFCRGODEPKV-WQVCFCJDSA-N 1 0 347.484 2.479 20 70 EEIDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCOC[C@@H]1C1CC1 ZINC000159932323 463310940 /nfs/dbraw/zinc/31/09/40/463310940.db2.gz FUDDNJIMIWVXSE-AYOQOUSVSA-N 1 0 343.471 2.327 20 70 EEIDRO CC[C@H](C)[C@@H](O)CNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000159940590 463311387 /nfs/dbraw/zinc/31/13/87/463311387.db2.gz SSAUJXWHDJCFFW-ONIAQPFYSA-N 1 0 333.476 2.213 20 70 EEIDRO CCCNC(=O)c1ccc(NC(=O)[C@@H]2CCn3ccnc3C2)cc1 ZINC000160161081 463321228 /nfs/dbraw/zinc/32/12/28/463321228.db2.gz VJAXBVOOZSOTJR-CQSZACIVSA-N 1 0 326.400 2.224 20 70 EEIDRO CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)Nc1ccc(C)nc1 ZINC000160422180 463337156 /nfs/dbraw/zinc/33/71/56/463337156.db2.gz ZVGIELDHCLHJIP-UHFFFAOYSA-N 1 0 334.464 2.155 20 70 EEIDRO C[C@H](CCc1cccc(F)c1)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160414301 463337723 /nfs/dbraw/zinc/33/77/23/463337723.db2.gz ORPSZGZHCANJEH-CRAIPNDOSA-N 1 0 336.451 2.357 20 70 EEIDRO CCCCN(C)c1ccc(C(=O)NCC2CC[NH+](CCO)CC2)cc1 ZINC000160532262 463347169 /nfs/dbraw/zinc/34/71/69/463347169.db2.gz FEQBXHFMTOTCDB-UHFFFAOYSA-N 1 0 347.503 2.357 20 70 EEIDRO CC(C)CC(=O)NCCC(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000160670269 463360882 /nfs/dbraw/zinc/36/08/82/463360882.db2.gz YCCSPRBSQAEHCS-IRXDYDNUSA-N 1 0 339.524 2.413 20 70 EEIDRO COc1cccc(CC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000160756111 463368206 /nfs/dbraw/zinc/36/82/06/463368206.db2.gz GEYPQTSMOCSIED-MOPGFXCFSA-N 1 0 346.471 2.122 20 70 EEIDRO Cn1ncc2c1CCC[C@H]2[NH2+]Cc1ccccc1CS(C)(=O)=O ZINC000160958975 463386447 /nfs/dbraw/zinc/38/64/47/463386447.db2.gz LSOFITHEOOBNSP-MRXNPFEDSA-N 1 0 333.457 2.132 20 70 EEIDRO CC(C)NC(=O)C[NH2+][C@@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000160976120 463387544 /nfs/dbraw/zinc/38/75/44/463387544.db2.gz KEZBVKHAJVSPGZ-ZDUSSCGKSA-N 1 0 339.867 2.191 20 70 EEIDRO O=C(NOCc1cccnc1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000161096117 463400176 /nfs/dbraw/zinc/40/01/76/463400176.db2.gz OJXATLPCWXUIHE-GOSISDBHSA-N 1 0 340.427 2.477 20 70 EEIDRO C[C@@H](CNC(=O)C(C)(C)C[NH3+])Oc1ccccc1Br ZINC000161141106 463403662 /nfs/dbraw/zinc/40/36/62/463403662.db2.gz BCLXSNTUCRRVCZ-JTQLQIEISA-N 1 0 329.238 2.318 20 70 EEIDRO CC(=O)NC1CCC([NH2+]CCCN2CCc3ccccc3C2)CC1 ZINC000161255082 463414093 /nfs/dbraw/zinc/41/40/93/463414093.db2.gz ZCGYRWUFMHOFRT-UHFFFAOYSA-N 1 0 329.488 2.472 20 70 EEIDRO CCN(CC)C(=O)COc1cccc(NC(=O)[C@@]2(C)CCC[NH2+]C2)c1 ZINC000161352428 463424407 /nfs/dbraw/zinc/42/44/07/463424407.db2.gz MNZLODJNJFOGCH-IBGZPJMESA-N 1 0 347.459 2.262 20 70 EEIDRO CC(C)CC(=O)NCCC(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000161418558 463429749 /nfs/dbraw/zinc/42/97/49/463429749.db2.gz NKBUNQYMIOMIFZ-CRAIPNDOSA-N 1 0 325.497 2.166 20 70 EEIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(-n2ccnn2)c1 ZINC000161479673 463433484 /nfs/dbraw/zinc/43/34/84/463433484.db2.gz PJRDSZMQKFCSDY-QGZVFWFLSA-N 1 0 327.432 2.118 20 70 EEIDRO C[C@@H]1C[C@H](NC(=O)N(C)Cc2cnn(C)c2)C[N@@H+]1Cc1ccccc1 ZINC000160299950 533916961 /nfs/dbraw/zinc/91/69/61/533916961.db2.gz WYFYBQBCTPCXGK-QAPCUYQASA-N 1 0 341.459 2.225 20 70 EEIDRO Cc1ccc2cccc(C(=O)NC[C@@H](O)C[NH+]3CCCCC3)c2n1 ZINC000160010340 534479348 /nfs/dbraw/zinc/47/93/48/534479348.db2.gz GRTMUOKRHPQOHM-MRXNPFEDSA-N 1 0 327.428 2.120 20 70 EEIDRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1nocc1C)c1ccccc1 ZINC000160036159 528234741 /nfs/dbraw/zinc/23/47/41/528234741.db2.gz YYRSJMPGCIPGCV-HNNXBMFYSA-N 1 0 344.415 2.121 20 70 EEIDRO CC(C)c1nc(C(=O)N2CCC[C@H]2C[NH3+])nn1-c1ccccc1F ZINC000160296588 528259366 /nfs/dbraw/zinc/25/93/66/528259366.db2.gz WCTGEXMHUHRTIK-LBPRGKRZSA-N 1 0 331.395 2.093 20 70 EEIDRO CC[N@H+](CCOc1ccc(Br)cc1)[C@@H]1CCN(C)C1=O ZINC000159616741 528573235 /nfs/dbraw/zinc/57/32/35/528573235.db2.gz YHQQRZZJGOWBDC-CQSZACIVSA-N 1 0 341.249 2.381 20 70 EEIDRO CN(C[C@H](O)C1CC1)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000161394106 539526713 /nfs/dbraw/zinc/52/67/13/539526713.db2.gz DACJKWWCUGHKCZ-ROUUACIJSA-N 1 0 331.460 2.236 20 70 EEIDRO C[C@H](c1ccccc1)N(C)C(=O)CN1CCN(c2cc[nH+]cc2)CC1 ZINC000161355852 539527431 /nfs/dbraw/zinc/52/74/31/539527431.db2.gz UFNZGCRYLFXWFT-QGZVFWFLSA-N 1 0 338.455 2.423 20 70 EEIDRO CC(=O)NC1CCC([NH2+]CC2(N3CCOCC3)CCCCC2)CC1 ZINC000161243109 159721970 /nfs/dbraw/zinc/72/19/70/159721970.db2.gz TWLFHMSKUMXNCO-UHFFFAOYSA-N 1 0 337.508 2.058 20 70 EEIDRO O=C(Nc1ccc(OCc2noc(C3CC3)n2)cc1)[C@@H]1CCC[NH2+]1 ZINC000159769206 225273361 /nfs/dbraw/zinc/27/33/61/225273361.db2.gz AFBIESVWSOIVCN-AWEZNQCLSA-N 1 0 328.372 2.217 20 70 EEIDRO C[C@H]1CCC[N@H+](CCNC(=O)c2cc(=O)[nH]c3cc(F)ccc32)C1 ZINC000159905411 225300191 /nfs/dbraw/zinc/30/01/91/225300191.db2.gz HOSOFIWPRATFLN-LBPRGKRZSA-N 1 0 331.391 2.129 20 70 EEIDRO CC(C)C[C@@H](CNC(=O)c1cc2c([nH]c1=O)CCCCC2)[NH+](C)C ZINC000160043015 278988384 /nfs/dbraw/zinc/98/83/84/278988384.db2.gz JYORLAANXDKRID-HNNXBMFYSA-N 1 0 333.476 2.350 20 70 EEIDRO C[N@H+](CC(=O)NCc1ccccc1OC(F)F)[C@H]1CCSC1 ZINC000159503509 311342025 /nfs/dbraw/zinc/34/20/25/311342025.db2.gz MVHMELLRLWVTLQ-LBPRGKRZSA-N 1 0 330.400 2.342 20 70 EEIDRO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000159790548 311346021 /nfs/dbraw/zinc/34/60/21/311346021.db2.gz DPNYUSXLLMKBAH-JTQLQIEISA-N 1 0 340.367 2.381 20 70 EEIDRO CC[NH+]1CCC(NC(=O)CN2CCC[C@H]2c2cccc(C)n2)CC1 ZINC000159826743 311346933 /nfs/dbraw/zinc/34/69/33/311346933.db2.gz LCALEJCRYQKRMZ-SFHVURJKSA-N 1 0 330.476 2.127 20 70 EEIDRO CCCCn1ncc(NC(=O)NC2CC[NH+](CCOC)CC2)c1C ZINC000160138160 311350598 /nfs/dbraw/zinc/35/05/98/311350598.db2.gz SNUPHOXVGDTASB-UHFFFAOYSA-N 1 0 337.468 2.224 20 70 EEIDRO CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@@](C)(O)C1)Cc1ccccc1 ZINC000160286931 311352895 /nfs/dbraw/zinc/35/28/95/311352895.db2.gz AGEGIRRZYFORHC-AZUAARDMSA-N 1 0 347.503 2.496 20 70 EEIDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccnn2C[C@@H]2CCOC2)[C@H](C)C1 ZINC000159462488 463287086 /nfs/dbraw/zinc/28/70/86/463287086.db2.gz WVRNCQAJMTUBCC-PMPSAXMXSA-N 1 0 349.479 2.114 20 70 EEIDRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)[C@@H]1CCn2ccnc2C1 ZINC000159650348 463297558 /nfs/dbraw/zinc/29/75/58/463297558.db2.gz OIWIAUDDIPEUCO-GOSISDBHSA-N 1 0 338.455 2.358 20 70 EEIDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N[C@@H]1CCC[C@@]1(C)CO ZINC000159935736 463311441 /nfs/dbraw/zinc/31/14/41/463311441.db2.gz RBHDAHWNRWZBLO-BOLBYERCSA-N 1 0 345.487 2.357 20 70 EEIDRO Cc1nc(CCNC(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)sc1C ZINC000160090631 463319215 /nfs/dbraw/zinc/31/92/15/463319215.db2.gz NZSKJKZPTBLQIH-MRXNPFEDSA-N 1 0 339.505 2.212 20 70 EEIDRO CC[C@H]([NH2+][C@H]1CCc2nc(C)nn2C1)c1ccc2c(c1)OCCO2 ZINC000160395210 463335239 /nfs/dbraw/zinc/33/52/39/463335239.db2.gz KYPITUSNJOMLMX-GJZGRUSLSA-N 1 0 328.416 2.413 20 70 EEIDRO CC(C)Oc1ccc(/C=C/C(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000160544548 463349009 /nfs/dbraw/zinc/34/90/09/463349009.db2.gz GYNVBJBVMOCWKF-MZEUMTGBSA-N 1 0 346.471 2.450 20 70 EEIDRO CC[C@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)c1ccc(C)cc1 ZINC000160961041 463385719 /nfs/dbraw/zinc/38/57/19/463385719.db2.gz NCYRYEZSKBEWPS-SFHVURJKSA-N 1 0 339.439 2.451 20 70 EEIDRO C[NH+](C)[C@@H](CNC(=O)c1ccnc(OCC(F)(F)F)c1)C1CC1 ZINC000161160666 463405114 /nfs/dbraw/zinc/40/51/14/463405114.db2.gz QVTPUMJKWCJWFI-LBPRGKRZSA-N 1 0 331.338 2.093 20 70 EEIDRO c1ccc(CN2CCO[C@H](C[NH2+]C3CCC4(CC3)OCCO4)C2)cc1 ZINC000161241594 463412522 /nfs/dbraw/zinc/41/25/22/463412522.db2.gz ZYZNJOBMQOEBDG-LJQANCHMSA-N 1 0 346.471 2.163 20 70 EEIDRO CCC(O)(CC)CNC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000161252572 463413588 /nfs/dbraw/zinc/41/35/88/463413588.db2.gz ICXJUFOAZJJQMM-HNNXBMFYSA-N 1 0 348.491 2.457 20 70 EEIDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N(C)CC(C)(C)O)CC1 ZINC000161270584 463414689 /nfs/dbraw/zinc/41/46/89/463414689.db2.gz CTBRGFBOEWKRML-CQSZACIVSA-N 1 0 334.464 2.019 20 70 EEIDRO CC[C@@H]1Oc2cc([C@H](C)NC(=O)C[C@@H]3CCC[NH2+]3)ccc2NC1=O ZINC000161381231 463426586 /nfs/dbraw/zinc/42/65/86/463426586.db2.gz ADCXTUCHYOYGSP-WHOFXGATSA-N 1 0 331.416 2.115 20 70 EEIDRO CC(=O)CCc1ccc(OCCC(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000161490545 463433687 /nfs/dbraw/zinc/43/36/87/463433687.db2.gz DIAFJJCNJPPAEI-IRXDYDNUSA-N 1 0 332.444 2.363 20 70 EEIDRO O=C(CCC1CCOCC1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160447207 534336004 /nfs/dbraw/zinc/33/60/04/534336004.db2.gz CQPUCXVQBFNHDH-MSOLQXFVSA-N 1 0 338.492 2.077 20 70 EEIDRO Cc1ccc(C(C)C)c(OCC(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000160031284 533635724 /nfs/dbraw/zinc/63/57/24/533635724.db2.gz MRBHMJFBAVOLSO-QGZVFWFLSA-N 1 0 348.487 2.460 20 70 EEIDRO C[NH+](C)CCOc1ccc(NC(=O)CNC(=O)CC2CCCC2)cc1 ZINC000160570206 159712518 /nfs/dbraw/zinc/71/25/18/159712518.db2.gz CELZHPCFKZEDDH-UHFFFAOYSA-N 1 0 347.459 2.262 20 70 EEIDRO COC1(C(=O)Nc2ccc(O[C@@H]3CCCC[C@H]3O)cc2)CC[NH2+]CC1 ZINC000159424687 225214425 /nfs/dbraw/zinc/21/44/25/225214425.db2.gz PWCNWKBYEJHHDZ-IAGOWNOFSA-N 1 0 348.443 2.076 20 70 EEIDRO CSc1ccccc1NC(=O)C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000159431278 225217153 /nfs/dbraw/zinc/21/71/53/225217153.db2.gz MXTPSDVZJUXUOX-CQSZACIVSA-N 1 0 349.500 2.441 20 70 EEIDRO Cc1ccc(NC(=O)NC(=O)C[N@H+](C)C[C@@H]2CCC[C@@H]2O)cc1C ZINC000159786620 225276841 /nfs/dbraw/zinc/27/68/41/225276841.db2.gz VXLBLTFBXKPAOQ-HOCLYGCPSA-N 1 0 333.432 2.044 20 70 EEIDRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CCC[C@H]1C[NH3+] ZINC000160352438 225394010 /nfs/dbraw/zinc/39/40/10/225394010.db2.gz BMRGERFCUZFNKY-UWVGGRQHSA-N 1 0 344.242 2.061 20 70 EEIDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C[C@H]2CCCC(C)(C)C2)CC1 ZINC000159803550 311346666 /nfs/dbraw/zinc/34/66/66/311346666.db2.gz LSOLSRRZICDMFL-SJORKVTESA-N 1 0 349.519 2.358 20 70 EEIDRO COCCCOc1cccc(CNC(=O)NC[C@H]2CCC[N@H+](C)C2)c1 ZINC000159799185 311346676 /nfs/dbraw/zinc/34/66/76/311346676.db2.gz GJLUZQGKWRXNEM-QGZVFWFLSA-N 1 0 349.475 2.243 20 70 EEIDRO C[C@@H]1C[C@@H](NC(=O)N2CCOC(C)(C)C2)C[N@@H+]1Cc1ccccc1 ZINC000159974356 311348807 /nfs/dbraw/zinc/34/88/07/311348807.db2.gz MKVUYKDNVIGPGE-NVXWUHKLSA-N 1 0 331.460 2.470 20 70 EEIDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@H]([C@@H](C)O)C1 ZINC000160933914 311360021 /nfs/dbraw/zinc/36/00/21/311360021.db2.gz FKDQEFZMHRLQNJ-IXDOHACOSA-N 1 0 325.497 2.299 20 70 EEIDRO CCC[C@@H]1CN(c2ccc(C(=O)OC)c(C)n2)CC[N@@H+]1CCOC ZINC000161076067 311361887 /nfs/dbraw/zinc/36/18/87/311361887.db2.gz QYZVJRDNXSILQX-OAHLLOKOSA-N 1 0 335.448 2.114 20 70 EEIDRO CCCCN(C)C(=O)C1CCN(C(=O)C(CC)(CC)C[NH3+])CC1 ZINC000161187666 311363418 /nfs/dbraw/zinc/36/34/18/311363418.db2.gz CMVMJKLPMITNIS-UHFFFAOYSA-N 1 0 325.497 2.249 20 70 EEIDRO C[NH+](C)CC1CCC(NC(=O)Nc2ccc3c(c2)OCC(=O)N3)CC1 ZINC000159393764 463284818 /nfs/dbraw/zinc/28/48/18/463284818.db2.gz UBMKFCZZBDPPEP-UHFFFAOYSA-N 1 0 346.431 2.259 20 70 EEIDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@](C)(O)CSC)C1 ZINC000159609202 463295273 /nfs/dbraw/zinc/29/52/73/463295273.db2.gz JEIMBBVHLSOBET-PBHICJAKSA-N 1 0 345.553 2.300 20 70 EEIDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(CCCCO)C1CC1 ZINC000159929216 463310955 /nfs/dbraw/zinc/31/09/55/463310955.db2.gz PFPLCSCUMRNZLV-LPHOPBHVSA-N 1 0 345.487 2.453 20 70 EEIDRO COc1ccccc1S(=O)(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160133615 463320214 /nfs/dbraw/zinc/32/02/14/463320214.db2.gz IZYUPEBGARMRSI-HNNXBMFYSA-N 1 0 338.473 2.334 20 70 EEIDRO CC[NH2+]CC1CCN(C(=O)c2ccc(CN3CCCC3=O)cc2)CC1 ZINC000161100388 463399899 /nfs/dbraw/zinc/39/98/99/463399899.db2.gz XKOSDIVPBKWECG-UHFFFAOYSA-N 1 0 343.471 2.271 20 70 EEIDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)NCc2ccccc2CO)C1 ZINC000161134061 463402988 /nfs/dbraw/zinc/40/29/88/463402988.db2.gz GJBGLQICTOJNNA-HOTGVXAUSA-N 1 0 333.476 2.346 20 70 EEIDRO Cc1c(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)nnn1-c1cccc(Cl)c1 ZINC000161292691 463417291 /nfs/dbraw/zinc/41/72/91/463417291.db2.gz RCXGWAAUVKCYOQ-QWHCGFSZSA-N 1 0 333.823 2.229 20 70 EEIDRO COc1ccc(Br)c(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000161390091 463427402 /nfs/dbraw/zinc/42/74/02/463427402.db2.gz DSIFKKJPEVAWAK-UWVGGRQHSA-N 1 0 327.222 2.457 20 70 EEIDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)/C=C/c2cnn(C)c2C)o1 ZINC000161501342 463434667 /nfs/dbraw/zinc/43/46/67/463434667.db2.gz GRLQAYGFGXXJCC-VQHVLOKHSA-N 1 0 330.432 2.234 20 70 EEIDRO C[C@@H](Cn1cc(Br)cn1)[NH2+]Cc1cn2ccccc2n1 ZINC000159421714 534268832 /nfs/dbraw/zinc/26/88/32/534268832.db2.gz ZOFMHNPVAGKDNS-NSHDSACASA-N 1 0 334.221 2.472 20 70 EEIDRO CC(C)Oc1cc(CNC(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)ccn1 ZINC000160000526 528110481 /nfs/dbraw/zinc/11/04/81/528110481.db2.gz MPJZHHKYFJYHST-ZFWWWQNUSA-N 1 0 332.448 2.293 20 70 EEIDRO CCCc1c(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)[nH]c(C)c1C(C)=O ZINC000160276325 528554996 /nfs/dbraw/zinc/55/49/96/528554996.db2.gz UWFDJTVERHTUOO-OAHLLOKOSA-N 1 0 349.475 2.055 20 70 EEIDRO CCCOc1ccc(CNC(=O)C[N@H+](C)C[C@@H]2CCC[C@@H]2O)cc1 ZINC000159825477 528667817 /nfs/dbraw/zinc/66/78/17/528667817.db2.gz KIKFHCMTCNIQDX-WMZOPIPTSA-N 1 0 334.460 2.184 20 70 EEIDRO CCCn1c2ccccc2n(CCC(=O)NCC([NH3+])(CC)CC)c1=O ZINC000160450550 528825845 /nfs/dbraw/zinc/82/58/45/528825845.db2.gz HASOJQHYVYXNEH-UHFFFAOYSA-N 1 0 346.475 2.237 20 70 EEIDRO CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)NCC[NH+]2CCC(C)CC2)C1 ZINC000160232241 529301001 /nfs/dbraw/zinc/30/10/01/529301001.db2.gz PFDVETMMTPTAKY-SJORKVTESA-N 1 0 337.508 2.119 20 70 EEIDRO C[C@H](NC(=O)CN1CCN(c2cc[nH+]cc2)CC1)c1cccs1 ZINC000161401617 539528283 /nfs/dbraw/zinc/52/82/83/539528283.db2.gz BSHUWWLHWGBWFV-AWEZNQCLSA-N 1 0 330.457 2.143 20 70 EEIDRO COCC[NH+]1CCC(NC(=O)c2cnc(-c3ccco3)s2)CC1 ZINC000216844488 241214791 /nfs/dbraw/zinc/21/47/91/241214791.db2.gz HWSWKWVIKVOYPP-UHFFFAOYSA-N 1 0 335.429 2.244 20 70 EEIDRO CC(C)OC(=O)CCCNC(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000159914376 143805023 /nfs/dbraw/zinc/80/50/23/143805023.db2.gz COKSDZWCMZLDJL-HNNXBMFYSA-N 1 0 327.469 2.282 20 70 EEIDRO CCc1nc(C)c([C@H](C)[NH2+]C2CCN(CC(=O)N(C)C)CC2)s1 ZINC000160367211 159709462 /nfs/dbraw/zinc/70/94/62/159709462.db2.gz PYGQYIRIAHBHSO-LBPRGKRZSA-N 1 0 338.521 2.217 20 70 EEIDRO O=C(NC[C@H](O)c1ccsc1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000161500989 159725628 /nfs/dbraw/zinc/72/56/28/159725628.db2.gz BLBURIJROOXBRR-INIZCTEOSA-N 1 0 330.453 2.219 20 70 EEIDRO C[C@H](Cn1cc(Br)cn1)[NH2+]Cc1cn2ccccc2n1 ZINC000159421853 225214541 /nfs/dbraw/zinc/21/45/41/225214541.db2.gz ZOFMHNPVAGKDNS-LLVKDONJSA-N 1 0 334.221 2.472 20 70 EEIDRO Cc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)cc1C ZINC000159476444 225225167 /nfs/dbraw/zinc/22/51/67/225225167.db2.gz JBBIRLTWFHOPIO-INIZCTEOSA-N 1 0 331.460 2.336 20 70 EEIDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCCC[C@@H]1CCO ZINC000159926173 225304070 /nfs/dbraw/zinc/30/40/70/225304070.db2.gz ZUBMPGVWFGCJMT-UHOSZYNNSA-N 1 0 345.487 2.453 20 70 EEIDRO [NH3+][C@@H]1CCN(C(=O)COc2ccc(Br)cc2Cl)C1 ZINC000160317014 225386715 /nfs/dbraw/zinc/38/67/15/225386715.db2.gz RIJBAUNMHOPRLS-SECBINFHSA-N 1 0 333.613 2.041 20 70 EEIDRO C[NH+](C)CCC1CCN(C(=O)c2cc3c([nH]c2=O)CCCCC3)CC1 ZINC000160137838 225346488 /nfs/dbraw/zinc/34/64/88/225346488.db2.gz QJDDGAFPUJJMDG-UHFFFAOYSA-N 1 0 345.487 2.448 20 70 EEIDRO C[C@H](CNC(=O)Nc1ccc(-c2ncn(C)n2)cc1)C[NH+]1CCCC1 ZINC000161136761 225555993 /nfs/dbraw/zinc/55/59/93/225555993.db2.gz SPSVATYIEFRTHR-CQSZACIVSA-N 1 0 342.447 2.336 20 70 EEIDRO C[C@]1(O)CCCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000159776893 278567863 /nfs/dbraw/zinc/56/78/63/278567863.db2.gz IZXNMWHGSGFHOF-QAPCUYQASA-N 1 0 335.448 2.363 20 70 EEIDRO CN(CC(C)(C)CN1CCOCC1)C(=O)CC[C@H]1CCCCO1 ZINC000159748207 311345454 /nfs/dbraw/zinc/34/54/54/311345454.db2.gz UUTMCRULDZDUQL-MRXNPFEDSA-N 1 0 326.481 2.153 20 70 EEIDRO CC(C)OCc1cccc(CNC(=O)C[N@H+](C)C[C@H]2CCC[C@@H]2O)c1 ZINC000159810803 311346628 /nfs/dbraw/zinc/34/66/28/311346628.db2.gz BCABHCGFTWACRH-MOPGFXCFSA-N 1 0 348.487 2.321 20 70 EEIDRO CCC[C@H]1CN(C(=O)N[C@@H](C)c2ccccn2)CC[N@@H+]1CCOC ZINC000159829162 311347054 /nfs/dbraw/zinc/34/70/54/311347054.db2.gz FZFMPMUZKFAUDP-HOTGVXAUSA-N 1 0 334.464 2.285 20 70 EEIDRO COc1cccc(COCCNC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000160615859 311356643 /nfs/dbraw/zinc/35/66/43/311356643.db2.gz LXBGDMVDLVGCST-QGZVFWFLSA-N 1 0 349.475 2.195 20 70 EEIDRO C[NH+](C)[C@H](CNC(=O)N[C@H]1CCO[C@H](C2CC2)C1)Cc1ccccc1 ZINC000159492149 463288981 /nfs/dbraw/zinc/28/89/81/463288981.db2.gz LSCJTXMRBUYUOZ-FHWLQOOXSA-N 1 0 345.487 2.416 20 70 EEIDRO Cn1cnc2cc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cnc21 ZINC000159673641 463298871 /nfs/dbraw/zinc/29/88/71/463298871.db2.gz VUZQDSZLBZNBTM-UHFFFAOYSA-N 1 0 349.438 2.363 20 70 EEIDRO CC[C@H]1COCCN1C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000159971432 463313071 /nfs/dbraw/zinc/31/30/71/463313071.db2.gz ZUAZZVYBIGJGCD-SZMVWBNQSA-N 1 0 331.460 2.327 20 70 EEIDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N[C@H]1CC[C@@H](CO)CC1 ZINC000159994801 463314151 /nfs/dbraw/zinc/31/41/51/463314151.db2.gz ZPYDXIBITHSLOX-WNHJNPCNSA-N 1 0 345.487 2.357 20 70 EEIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cc2cc(Cl)ccc2[nH]1 ZINC000160377100 463333311 /nfs/dbraw/zinc/33/33/11/463333311.db2.gz IAJACEYHZCAJMJ-CQSZACIVSA-N 1 0 335.835 2.398 20 70 EEIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(F)c(F)c1 ZINC000160526485 463347054 /nfs/dbraw/zinc/34/70/54/463347054.db2.gz LMDHWTDGZTYAOG-IRXDYDNUSA-N 1 0 338.398 2.463 20 70 EEIDRO C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1ccc(NS(C)(=O)=O)cc1 ZINC000160540581 463347910 /nfs/dbraw/zinc/34/79/10/463347910.db2.gz ZHGCVOCXBSMWIF-BJJXKVORSA-N 1 0 326.462 2.260 20 70 EEIDRO C[C@H](SCc1ccccc1)C(=O)NCC1CC[NH+](CCO)CC1 ZINC000160544105 463349033 /nfs/dbraw/zinc/34/90/33/463349033.db2.gz PUHVIOQEEHDFTE-HNNXBMFYSA-N 1 0 336.501 2.129 20 70 EEIDRO Cc1cc(C)cc(N2CC[C@H](C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)C2=O)c1 ZINC000160858722 463376681 /nfs/dbraw/zinc/37/66/81/463376681.db2.gz VNVURQSSLUKWDJ-ZMSDIMECSA-N 1 0 329.444 2.042 20 70 EEIDRO C[C@@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)c1cc(F)cc(F)c1 ZINC000160999120 463389808 /nfs/dbraw/zinc/38/98/08/463389808.db2.gz LFLAOWLCGCDJFL-LLVKDONJSA-N 1 0 347.365 2.031 20 70 EEIDRO C[C@H]1CN(c2ccc(C[NH2+]C3CCC4(CC3)OCCO4)cn2)CCO1 ZINC000161023798 463392367 /nfs/dbraw/zinc/39/23/67/463392367.db2.gz YNHQCIFTEIDZAU-HNNXBMFYSA-N 1 0 347.459 2.082 20 70 EEIDRO COCC[N@H+](C)CCNC(=O)CSc1nccc2ccccc21 ZINC000161174271 463406778 /nfs/dbraw/zinc/40/67/78/463406778.db2.gz TXHLHYMQEKSVMU-UHFFFAOYSA-N 1 0 333.457 2.021 20 70 EEIDRO CC[C@](C)(CCO)NC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000161206048 463411011 /nfs/dbraw/zinc/41/10/11/463411011.db2.gz VLKPJAFMGRSZBC-HNAYVOBHSA-N 1 0 348.491 2.457 20 70 EEIDRO C[C@H](NC(=O)N1CCC([N@H+](C)CCO)CC1)c1ccc(Cl)cc1 ZINC000161241935 463413104 /nfs/dbraw/zinc/41/31/04/463413104.db2.gz PSAGAWCAFNITKS-ZDUSSCGKSA-N 1 0 339.867 2.499 20 70 EEIDRO CC[C@@H]1Oc2cc([C@H](C)NC(=O)CC3([NH3+])CCC3)ccc2NC1=O ZINC000161381753 463427039 /nfs/dbraw/zinc/42/70/39/463427039.db2.gz TUKZXAREOYSLOK-FZMZJTMJSA-N 1 0 331.416 2.245 20 70 EEIDRO C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@H](CO)c1ccccc1 ZINC000161493935 463434626 /nfs/dbraw/zinc/43/46/26/463434626.db2.gz NKSCBFHDBISHCJ-TZMCWYRMSA-N 1 0 338.249 2.400 20 70 EEIDRO C[C@@H](CNC(=O)CCc1nc(-c2ccoc2)no1)[N@@H+]1CCC[C@H](C)C1 ZINC000159872107 533895802 /nfs/dbraw/zinc/89/58/02/533895802.db2.gz XEIYLVZREDKEGH-KBPBESRZSA-N 1 0 346.431 2.499 20 70 EEIDRO O=C(CCCn1cccc1)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000159495154 534384874 /nfs/dbraw/zinc/38/48/74/534384874.db2.gz SCVUELUVTMYVAT-UHFFFAOYSA-N 1 0 333.476 2.420 20 70 EEIDRO CC(C)[NH+]1CCN(C(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000160368563 529037727 /nfs/dbraw/zinc/03/77/27/529037727.db2.gz WECSXSMIHXMBOQ-QGZVFWFLSA-N 1 0 333.432 2.412 20 70 EEIDRO O=C(c1csc([C@@H]2CCCO2)n1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000160287946 539521470 /nfs/dbraw/zinc/52/14/70/539521470.db2.gz FKTYHFNGLHCRLA-HNNXBMFYSA-N 1 0 344.440 2.352 20 70 EEIDRO C[NH2+][C@@H]1CCN(C(=O)c2nc(C(C)C)n(-c3ccccc3Cl)n2)C1 ZINC000160674344 532970777 /nfs/dbraw/zinc/97/07/77/532970777.db2.gz SAIZDJLJKCYFIS-GFCCVEGCSA-N 1 0 347.850 2.478 20 70 EEIDRO C[NH2+][C@@H]1CCN(C(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)C1 ZINC000160603695 532970827 /nfs/dbraw/zinc/97/08/27/532970827.db2.gz YUGXBDRTFRLMQP-LLVKDONJSA-N 1 0 338.333 2.325 20 70 EEIDRO COc1ccc(Br)cc1/C=C/C(=O)N1CCC[C@@H]1C[NH3+] ZINC000160188992 533262543 /nfs/dbraw/zinc/26/25/43/533262543.db2.gz CAZAXGLXBXHXOQ-WXJAXGNASA-N 1 0 339.233 2.421 20 70 EEIDRO CCOC(=O)NCCCC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000160031582 143806534 /nfs/dbraw/zinc/80/65/34/143806534.db2.gz LMHYHAIBKCAHCS-UHFFFAOYSA-N 1 0 339.480 2.426 20 70 EEIDRO COCCN(C)CC[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000159377599 225205082 /nfs/dbraw/zinc/20/50/82/225205082.db2.gz PLOSRIOUKCPGMY-UHFFFAOYSA-N 1 0 339.911 2.472 20 70 EEIDRO COc1ccc(S(=O)(=O)N[C@@H](C[NH3+])C2CCCCC2)cc1F ZINC000160158483 225349249 /nfs/dbraw/zinc/34/92/49/225349249.db2.gz RGYAVHXECUUZSE-AWEZNQCLSA-N 1 0 330.425 2.020 20 70 EEIDRO c1c(CN2CCN(CCC[NH+]3CCCCC3)CC2)nc2ccccn12 ZINC000161244077 225582309 /nfs/dbraw/zinc/58/23/09/225582309.db2.gz BNTFBUXWPGENJB-UHFFFAOYSA-N 1 0 341.503 2.328 20 70 EEIDRO COC(=O)[C@H]1CCCN(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)C1 ZINC000160905834 277125193 /nfs/dbraw/zinc/12/51/93/277125193.db2.gz WMZUBSPZBKFSED-HOTGVXAUSA-N 1 0 339.480 2.092 20 70 EEIDRO C[NH2+]C[C@H]1CCCN1C(=O)COc1ccc(Br)cc1 ZINC000161182348 277284040 /nfs/dbraw/zinc/28/40/40/277284040.db2.gz MKEGBOWRMNNAPE-GFCCVEGCSA-N 1 0 327.222 2.038 20 70 EEIDRO [NH3+]C1(CNC(=O)CC[C@@H]2Cc3ccccc3NC2=O)CCCCC1 ZINC000159527874 295206224 /nfs/dbraw/zinc/20/62/24/295206224.db2.gz PFSOKANJLSHSLC-OAHLLOKOSA-N 1 0 329.444 2.355 20 70 EEIDRO COc1cccc([C@@H](C)CC(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000159904511 533699127 /nfs/dbraw/zinc/69/91/27/533699127.db2.gz DMFXGDMKADASDL-DOTOQJQBSA-N 1 0 334.460 2.152 20 70 EEIDRO CCOc1ccc(CN(C)C(=O)C[N@H+](C)C[C@@H]2CCC[C@@H]2O)cc1 ZINC000159658478 311344283 /nfs/dbraw/zinc/34/42/83/311344283.db2.gz NWRSERDDINYBOB-WMZOPIPTSA-N 1 0 334.460 2.137 20 70 EEIDRO C[C@@H]1C[C@H](NC(=O)N2C[C@@H](C)O[C@@H](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000160027964 311349310 /nfs/dbraw/zinc/34/93/10/311349310.db2.gz WRYFCNOWHZXWMK-CBZIJGRNSA-N 1 0 331.460 2.468 20 70 EEIDRO C[C@@H](CNC(=O)CCNC(=O)C1CCCCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000160229645 311351281 /nfs/dbraw/zinc/35/12/81/311351281.db2.gz PAXBIRBTRHBRFF-CVEARBPZSA-N 1 0 337.508 2.310 20 70 EEIDRO CCOC(=O)NCCCC(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000160412357 311353902 /nfs/dbraw/zinc/35/39/02/311353902.db2.gz RMPWPUWXAHVLQE-PBHICJAKSA-N 1 0 327.469 2.139 20 70 EEIDRO CN(CCCc1cc(-c2ccc(F)cc2)n(C)n1)Cc1nncn1C ZINC000160818132 311358873 /nfs/dbraw/zinc/35/88/73/311358873.db2.gz SNBGMEAMRVHNHP-UHFFFAOYSA-N 1 0 342.422 2.419 20 70 EEIDRO CC(=O)NC1CCC([NH2+]Cc2ccccc2CN2CCOCC2)CC1 ZINC000161230592 311363751 /nfs/dbraw/zinc/36/37/51/311363751.db2.gz SYPVWOFYBOVDDU-UHFFFAOYSA-N 1 0 345.487 2.056 20 70 EEIDRO CCC(CC)[C@H](CNC(=O)C(CC)(CC)C[NH3+])N1CCOCC1 ZINC000161266429 311364012 /nfs/dbraw/zinc/36/40/12/311364012.db2.gz CVPLPIPZSAFBQD-INIZCTEOSA-N 1 0 327.513 2.005 20 70 EEIDRO CC(=O)N[C@@H](C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)C(C)C ZINC000161481755 311366682 /nfs/dbraw/zinc/36/66/82/311366682.db2.gz QGSQLJUKAVENOA-DAWZGUTISA-N 1 0 337.508 2.306 20 70 EEIDRO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCC1CCN(C(=O)c2ccccc2)CC1 ZINC000159685270 463299470 /nfs/dbraw/zinc/29/94/70/463299470.db2.gz JQQPOHRNRXNOIE-RHSMWYFYSA-N 1 0 331.460 2.028 20 70 EEIDRO CC(C)OC(=O)CCCNC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000160195857 463322029 /nfs/dbraw/zinc/32/20/29/463322029.db2.gz OQUZCBDQYDGCDW-HNNXBMFYSA-N 1 0 327.469 2.234 20 70 EEIDRO COCC[C@@H](C)[NH2+]CCN1CCN(c2cccc(Cl)c2)CC1 ZINC000160293464 463327484 /nfs/dbraw/zinc/32/74/84/463327484.db2.gz LLWGICDIRWCLJN-OAHLLOKOSA-N 1 0 325.884 2.477 20 70 EEIDRO C[C@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1cnc2ccsc2c1 ZINC000160421036 463337077 /nfs/dbraw/zinc/33/70/77/463337077.db2.gz UBSCDUKWMRGJCS-ZDUSSCGKSA-N 1 0 346.500 2.500 20 70 EEIDRO CCCN(CC[NH+](CC)CC)C(=O)c1ncn(-c2ccccc2)n1 ZINC000160534955 463347985 /nfs/dbraw/zinc/34/79/85/463347985.db2.gz ATSKRRVLJVFJPQ-UHFFFAOYSA-N 1 0 329.448 2.461 20 70 EEIDRO C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)c1cccc(N2CCCC2=O)c1 ZINC000160578683 463351628 /nfs/dbraw/zinc/35/16/28/463351628.db2.gz AOFVDHPHBSHSER-LLVKDONJSA-N 1 0 343.349 2.143 20 70 EEIDRO Cc1ccc(OCC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000160579896 463352729 /nfs/dbraw/zinc/35/27/29/463352729.db2.gz LEKWTYQAPUXVFY-RTBURBONSA-N 1 0 346.471 2.258 20 70 EEIDRO O=C(Cc1c(Cl)cccc1Cl)NCC1CC[NH+](CCO)CC1 ZINC000160631282 463357138 /nfs/dbraw/zinc/35/71/38/463357138.db2.gz LIGXJBWUILBIRH-UHFFFAOYSA-N 1 0 345.270 2.356 20 70 EEIDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc3[nH]c(=O)n(C)c3c2)C1 ZINC000160693516 463363874 /nfs/dbraw/zinc/36/38/74/463363874.db2.gz IHNZCDKYKBQTGN-ZDUSSCGKSA-N 1 0 344.459 2.107 20 70 EEIDRO C[C@H](C[NH+]1C[C@@H](C)C[C@H](C)C1)NC(=O)c1cccc2c1oc(=O)n2C ZINC000160992995 463389218 /nfs/dbraw/zinc/38/92/18/463389218.db2.gz WLIGAMFXBQUSPK-MELADBBJSA-N 1 0 345.443 2.228 20 70 EEIDRO CC(C)[C@H](C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)S(=O)(=O)C1CCCCC1 ZINC000161278154 463416288 /nfs/dbraw/zinc/41/62/88/463416288.db2.gz KTYXDLMJKGAZLW-SQWLQELKSA-N 1 0 344.521 2.145 20 70 EEIDRO CC[C@@H]1Oc2cc([C@H](C)NC(=O)[C@H]([NH3+])CC(C)C)ccc2NC1=O ZINC000161363125 463425649 /nfs/dbraw/zinc/42/56/49/463425649.db2.gz WSIBWYBQTRDIAO-LNSITVRQSA-N 1 0 333.432 2.347 20 70 EEIDRO CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)C2CC[NH2+]CC2)c1 ZINC000159833900 526600688 /nfs/dbraw/zinc/60/06/88/526600688.db2.gz XVJPHBIDLAMXBZ-UHFFFAOYSA-N 1 0 338.473 2.338 20 70 EEIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(-c2nc[nH]n2)c1 ZINC000160062444 527978073 /nfs/dbraw/zinc/97/80/73/527978073.db2.gz WEJMTADJAJGLTJ-MRXNPFEDSA-N 1 0 327.432 2.322 20 70 EEIDRO CC[C@@H](C(=O)NCCC(=O)Nc1cccc(Cl)c1C)[NH+](C)C ZINC000159663241 529281812 /nfs/dbraw/zinc/28/18/12/529281812.db2.gz NSVYRLKAPFRCAB-AWEZNQCLSA-N 1 0 325.840 2.433 20 70 EEIDRO CC(C)(C)c1cc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)[nH]n1 ZINC000160414508 539520920 /nfs/dbraw/zinc/52/09/20/539520920.db2.gz NWKKXSLRCUSJDD-HOTGVXAUSA-N 1 0 348.491 2.205 20 70 EEIDRO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161335050 539527264 /nfs/dbraw/zinc/52/72/64/539527264.db2.gz MBZGJSQAYFVPQP-IXDOHACOSA-N 1 0 330.476 2.382 20 70 EEIDRO C[NH2+][C@@H]1CCN(C(=O)c2cccc(C(=O)N(C)c3ccccc3)c2)C1 ZINC000160628122 255800527 /nfs/dbraw/zinc/80/05/27/255800527.db2.gz XBJLSJYCKRNWPU-QGZVFWFLSA-N 1 0 337.423 2.397 20 70 EEIDRO CC(C)C(=O)N(C)Cc1ccc(C(=O)NC[C@@H](C2CC2)[NH+](C)C)cc1 ZINC000161161779 159721396 /nfs/dbraw/zinc/72/13/96/159721396.db2.gz DEIQFZKKWMQANI-SFHVURJKSA-N 1 0 345.487 2.371 20 70 EEIDRO O=C1CCCN1CCC[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000159496433 225228156 /nfs/dbraw/zinc/22/81/56/225228156.db2.gz HSCUTZSGDBTCBA-UHFFFAOYSA-N 1 0 329.488 2.296 20 70 EEIDRO [NH3+]C[C@@H]1CCCN1C(=O)CCCCCNC(=O)NC1CCCCC1 ZINC000160261451 225374355 /nfs/dbraw/zinc/37/43/55/225374355.db2.gz FYOMHVYHOFNJLM-INIZCTEOSA-N 1 0 338.496 2.128 20 70 EEIDRO Cc1c(C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)cnn1CC(C)C ZINC000160408801 311353962 /nfs/dbraw/zinc/35/39/62/311353962.db2.gz DIHOCLKLKXFUHZ-INIZCTEOSA-N 1 0 336.480 2.030 20 70 EEIDRO C[C@H]1CCC[C@](CNC(=O)c2ccc3[nH]c(=O)n(C)c3c2)([NH+](C)C)C1 ZINC000160415638 311354052 /nfs/dbraw/zinc/35/40/52/311354052.db2.gz CFOFDRQFNCNECI-DJJJIMSYSA-N 1 0 344.459 2.107 20 70 EEIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cccc(N3CCCC3=O)c1)CC2 ZINC000160454756 311354331 /nfs/dbraw/zinc/35/43/31/311354331.db2.gz ONSXIYKHIUUBBR-XJKSGUPXSA-N 1 0 339.443 2.379 20 70 EEIDRO COc1cccc(CCC[NH+]2CCN(c3nccc(OC)n3)CC2)c1 ZINC000159526957 463290924 /nfs/dbraw/zinc/29/09/24/463290924.db2.gz XDNVOINBQYIISH-UHFFFAOYSA-N 1 0 342.443 2.249 20 70 EEIDRO CCOC(=O)CCc1ccc(NC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000159643445 463295962 /nfs/dbraw/zinc/29/59/62/463295962.db2.gz XZGADLRDWZNJKG-MRXNPFEDSA-N 1 0 333.432 2.350 20 70 EEIDRO O=C(C[NH2+]C[C@@H]1CCCO1)N[C@@H](c1ccc(F)cc1)C(F)(F)F ZINC000159687233 463299580 /nfs/dbraw/zinc/29/95/80/463299580.db2.gz RORJCGWESVEBGH-JSGCOSHPSA-N 1 0 334.313 2.314 20 70 EEIDRO COc1cccc(-c2cc(C(=O)NCC3CC[NH+](C)CC3)[nH]n2)c1 ZINC000159906338 463309988 /nfs/dbraw/zinc/30/99/88/463309988.db2.gz MGUCKCDLSXJNIX-UHFFFAOYSA-N 1 0 328.416 2.157 20 70 EEIDRO CCc1nn(C)c(Cl)c1C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000160459872 463339785 /nfs/dbraw/zinc/33/97/85/463339785.db2.gz VYVVVFQZKLEVBV-RYUDHWBXSA-N 1 0 326.872 2.486 20 70 EEIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccc(F)c(F)c1 ZINC000160526715 463346363 /nfs/dbraw/zinc/34/63/63/463346363.db2.gz LMDHWTDGZTYAOG-DLBZAZTESA-N 1 0 338.398 2.463 20 70 EEIDRO CC[C@H](O)CCNC(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000160730200 463365746 /nfs/dbraw/zinc/36/57/46/463365746.db2.gz AAISQXCJLFXRRU-RDJZCZTQSA-N 1 0 349.475 2.292 20 70 EEIDRO Cc1nccn1-c1ccc(C[NH2+]C2CCC3(CC2)OCCO3)cn1 ZINC000161024612 463391821 /nfs/dbraw/zinc/39/18/21/463391821.db2.gz GKYAXSCZHAIMBK-UHFFFAOYSA-N 1 0 328.416 2.351 20 70 EEIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)CCCNC(=O)c2ccc(Cl)cc2)C1 ZINC000161170502 463407073 /nfs/dbraw/zinc/40/70/73/463407073.db2.gz SOMUJIDVTISQKK-LSDHHAIUSA-N 1 0 337.851 2.236 20 70 EEIDRO C[C@@H](O)CCN(C)C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000161239987 463413178 /nfs/dbraw/zinc/41/31/78/463413178.db2.gz GIIIIOSZJSNNPT-CABCVRRESA-N 1 0 334.464 2.019 20 70 EEIDRO CCC(CC)(C[NH3+])C(=O)N(C)Cc1ccccc1N1CCOCC1 ZINC000161263952 463414607 /nfs/dbraw/zinc/41/46/07/463414607.db2.gz NKXDQLKDPLMOEV-UHFFFAOYSA-N 1 0 333.476 2.247 20 70 EEIDRO C[C@H]([NH2+]CCCN1CCCC1=O)c1ccc(N2CCOC2=O)cc1 ZINC000159485423 533846827 /nfs/dbraw/zinc/84/68/27/533846827.db2.gz RGKMPVSRGGCVKM-AWEZNQCLSA-N 1 0 331.416 2.306 20 70 EEIDRO C[C@@H](CNC(=O)c1ccnc(-n2cccn2)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000159875327 534047426 /nfs/dbraw/zinc/04/74/26/534047426.db2.gz NGSPKRGKFAFABM-CABCVRRESA-N 1 0 327.432 2.118 20 70 EEIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)C1(c2cccc(F)c2)CCC1 ZINC000160167463 534536006 /nfs/dbraw/zinc/53/60/06/534536006.db2.gz NFEXXXBBROBTCL-QGZVFWFLSA-N 1 0 334.435 2.210 20 70 EEIDRO CC(=O)Nc1cc(C(=O)N2CCC[C@@H]2C[NH3+])cc(C(F)(F)F)c1 ZINC000160265398 526911868 /nfs/dbraw/zinc/91/18/68/526911868.db2.gz YKVMXGGBSSGURX-CYBMUJFWSA-N 1 0 329.322 2.227 20 70 EEIDRO CC(C)Oc1cc(CNC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)ccn1 ZINC000159629999 528109616 /nfs/dbraw/zinc/10/96/16/528109616.db2.gz FHYCPNLAWCEWFI-HNNXBMFYSA-N 1 0 332.448 2.152 20 70 EEIDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cccc2c1oc(=O)n2C ZINC000160645813 528118487 /nfs/dbraw/zinc/11/84/87/528118487.db2.gz LYDJWFMVSDYGCA-ZDUSSCGKSA-N 1 0 333.432 2.372 20 70 EEIDRO CCCCN(CCO)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000160019252 528426167 /nfs/dbraw/zinc/42/61/67/528426167.db2.gz ASNFIIXRWGBJKG-WMZOPIPTSA-N 1 0 333.476 2.311 20 70 EEIDRO CC(C)Cn1cc(NC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)cn1 ZINC000160375161 528716519 /nfs/dbraw/zinc/71/65/19/528716519.db2.gz DSTCTXWGYHDLSN-UHFFFAOYSA-N 1 0 343.431 2.178 20 70 EEIDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2csc(S(C)(=O)=O)c2)C1 ZINC000160287792 529016255 /nfs/dbraw/zinc/01/62/55/529016255.db2.gz JBUIULPBSXEVNV-LBPRGKRZSA-N 1 0 344.502 2.002 20 70 EEIDRO CC[C@@H](Oc1ccccc1C)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160182355 529247956 /nfs/dbraw/zinc/24/79/56/529247956.db2.gz KXAYBMWIEKWRSJ-IAGOWNOFSA-N 1 0 334.460 2.115 20 70 EEIDRO C[NH2+]C[C@H]1CCCN1C(=O)CCCNC(=O)c1ccc(Cl)cc1 ZINC000161267960 290724807 /nfs/dbraw/zinc/72/48/07/290724807.db2.gz DJAHCYKZYBJROE-OAHLLOKOSA-N 1 0 337.851 2.060 20 70 EEIDRO CN(Cc1ccccc1F)C(=O)CN1CCN(c2cc[nH+]cc2)CC1 ZINC000161361532 539527104 /nfs/dbraw/zinc/52/71/04/539527104.db2.gz TWVYAXPZLQRFPB-UHFFFAOYSA-N 1 0 342.418 2.001 20 70 EEIDRO C[C@]1(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CCCN1C(=O)c1ccccc1 ZINC000159970811 237228737 /nfs/dbraw/zinc/22/87/37/237228737.db2.gz LOVYCXINYNICNF-FUHIMQAGSA-N 1 0 341.455 2.034 20 70 EEIDRO COc1cc([C@@H](C)[NH2+]CCCN2CCCC2=O)cc(OC)c1OC ZINC000159509141 206249311 /nfs/dbraw/zinc/24/93/11/206249311.db2.gz BUHXDNFEHFHUGW-CYBMUJFWSA-N 1 0 336.432 2.376 20 70 EEIDRO CCN1CCN([C@@H]2CC[N@H+](CCC(=O)c3ccc(C)cc3)C2)CC1 ZINC000159539824 206251648 /nfs/dbraw/zinc/25/16/48/206251648.db2.gz UTZQCEBOLJWUIH-LJQANCHMSA-N 1 0 329.488 2.280 20 70 EEIDRO Cc1cc(NC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)O)ccc1Br ZINC000159574519 206252823 /nfs/dbraw/zinc/25/28/23/206252823.db2.gz DRDBJENCRHGQNT-MNOVXSKESA-N 1 0 329.238 2.397 20 70 EEIDRO CC[C@@H](COC)[NH2+]Cc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000159823628 206265325 /nfs/dbraw/zinc/26/53/25/206265325.db2.gz PXJTYQMACXWOCG-INIZCTEOSA-N 1 0 340.489 2.376 20 70 EEIDRO CC(C)([NH3+])CNC(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1 ZINC000160025136 206276360 /nfs/dbraw/zinc/27/63/60/206276360.db2.gz NDWWHTHKDRFOSU-UHFFFAOYSA-N 1 0 346.452 2.128 20 70 EEIDRO CCCCOc1ccc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000160175701 206282923 /nfs/dbraw/zinc/28/29/23/206282923.db2.gz VPNTUGFOKWIYOR-QGZVFWFLSA-N 1 0 334.460 2.442 20 70 EEIDRO C[C@@H](CNC(=O)c1ccc(C(=O)NC2CC2)cc1)C[NH+]1CCCC1 ZINC000160316660 206289932 /nfs/dbraw/zinc/28/99/32/206289932.db2.gz LWBDIKLAQXYPGB-AWEZNQCLSA-N 1 0 329.444 2.041 20 70 EEIDRO C[NH+](C)CCN(Cc1ccco1)C(=O)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000160338382 206291017 /nfs/dbraw/zinc/29/10/17/206291017.db2.gz GJEDLKFBYBLLQR-DOTOQJQBSA-N 1 0 335.448 2.310 20 70 EEIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cccc(N3CCOC3=O)c1)CC2 ZINC000160431966 206297462 /nfs/dbraw/zinc/29/74/62/206297462.db2.gz ANNFBVYSJBZXGO-DOMZBBRYSA-N 1 0 341.415 2.209 20 70 EEIDRO CC[C@@H](O)CCNC(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000160757304 206311484 /nfs/dbraw/zinc/31/14/84/206311484.db2.gz PUVDMHVQMNKQEJ-SJLPKXTDSA-N 1 0 349.475 2.292 20 70 EEIDRO O=C(c1cccc2[nH]c(=O)oc21)N1CC[NH+]([C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000160779197 206313195 /nfs/dbraw/zinc/31/31/95/206313195.db2.gz NTJCCLKDLNLDOW-WOSRLPQWSA-N 1 0 341.411 2.068 20 70 EEIDRO CC(C)([NH3+])C(=O)Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1 ZINC000161007242 206322734 /nfs/dbraw/zinc/32/27/34/206322734.db2.gz BEBOTWGVFCKUPH-UHFFFAOYSA-N 1 0 346.452 2.477 20 70 EEIDRO Cc1c(NC(=O)C(=O)NCCC[NH+](C)C)cccc1C(F)(F)F ZINC000161031365 206323715 /nfs/dbraw/zinc/32/37/15/206323715.db2.gz MXNQNVXHSAITFK-UHFFFAOYSA-N 1 0 331.338 2.020 20 70 EEIDRO COc1cc(C(=O)NCCC[NH+]2CCCCCC2)cc(OC)c1O ZINC000161087626 206328240 /nfs/dbraw/zinc/32/82/40/206328240.db2.gz VJKYMIODAYNYTP-UHFFFAOYSA-N 1 0 336.432 2.405 20 70 EEIDRO CCN(Cc1ccccc1)C(=O)C[NH2+]C1CCC2(CC1)OCCO2 ZINC000161438366 206348296 /nfs/dbraw/zinc/34/82/96/206348296.db2.gz QHEBIWCOFQLOIX-UHFFFAOYSA-N 1 0 332.444 2.310 20 70 EEIDRO C[C@@H](C(=O)NC[C@H](O)C[NH+]1CCCCC1)c1cc2ccccc2o1 ZINC000160294099 533275608 /nfs/dbraw/zinc/27/56/08/533275608.db2.gz KFCXDTPZZJRVOW-ZBFHGGJFSA-N 1 0 330.428 2.499 20 70 EEIDRO CCC(CC)(C[NH2+]CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C)C(=O)OC ZINC000159661625 311344272 /nfs/dbraw/zinc/34/42/72/311344272.db2.gz VMFKDEMBEQXPAQ-SOUVJXGZSA-N 1 0 326.481 2.496 20 70 EEIDRO C[C@@H](CNC(=O)CCNC(=O)C1CCCCC1)[N@@H+]1CCC[C@H](C)C1 ZINC000160229789 311351284 /nfs/dbraw/zinc/35/12/84/311351284.db2.gz PAXBIRBTRHBRFF-HOTGVXAUSA-N 1 0 337.508 2.310 20 70 EEIDRO CCC(CC)c1cc(C(=O)NCCCC[NH+]2CCN(C)CC2)on1 ZINC000160406639 311354019 /nfs/dbraw/zinc/35/40/19/311354019.db2.gz BPHFMUOWCKUQIT-UHFFFAOYSA-N 1 0 336.480 2.336 20 70 EEIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cccc(N3CCCC3=O)c1)CC2 ZINC000160455144 311354363 /nfs/dbraw/zinc/35/43/63/311354363.db2.gz ONSXIYKHIUUBBR-CJNGLKHVSA-N 1 0 339.443 2.379 20 70 EEIDRO COc1cccc(COCCNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000160579572 311356072 /nfs/dbraw/zinc/35/60/72/311356072.db2.gz WPOINCUZEGNDBG-DOTOQJQBSA-N 1 0 347.459 2.090 20 70 EEIDRO COCc1cc(CNC(=O)N2CC[N@H+](C)C[C@H]2C(C)C)ccc1F ZINC000159397133 463284331 /nfs/dbraw/zinc/28/43/31/463284331.db2.gz XBKWNBLVGVFLBO-KRWDZBQOSA-N 1 0 337.439 2.454 20 70 EEIDRO Cc1cccc([C@H]2CCCN2Cc2nn3c(nc(C)cc3=O)s2)n1 ZINC000159801979 463305643 /nfs/dbraw/zinc/30/56/43/463305643.db2.gz IPNXWBYAPKBXLX-CQSZACIVSA-N 1 0 341.440 2.500 20 70 EEIDRO CCCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-n2c(C)c[nH]c2=O)cc1 ZINC000159849370 463308228 /nfs/dbraw/zinc/30/82/28/463308228.db2.gz AFKIQJXURWUIOR-GJZGRUSLSA-N 1 0 344.459 2.429 20 70 EEIDRO CC[C@@H]([NH2+][C@H]1CCc2nc(C)nn2C1)c1ccc2c(c1)OCCO2 ZINC000160395333 463335024 /nfs/dbraw/zinc/33/50/24/463335024.db2.gz KYPITUSNJOMLMX-LSDHHAIUSA-N 1 0 328.416 2.413 20 70 EEIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@@H]1C[C@H]1c1ccccc1Cl ZINC000160600807 463353742 /nfs/dbraw/zinc/35/37/42/463353742.db2.gz PTOHNGIHJPRMHK-CWRNSKLLSA-N 1 0 336.863 2.407 20 70 EEIDRO CC(C)OC(=O)c1ccc(NC(=O)[C@H](C)[N@H+](C)C[C@H](O)C2CC2)cc1 ZINC000160866256 463378683 /nfs/dbraw/zinc/37/86/83/463378683.db2.gz DVWHSXHZUXHXIX-GUYCJALGSA-N 1 0 348.443 2.282 20 70 EEIDRO O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000161015514 463390868 /nfs/dbraw/zinc/39/08/68/463390868.db2.gz KBAYSOKCOZPGIJ-NXOAAHMSSA-N 1 0 333.476 2.071 20 70 EEIDRO CCC(CC)(C[NH3+])C(=O)NCc1cccc(CN2CCO[C@H](C)C2)c1 ZINC000161275734 463415973 /nfs/dbraw/zinc/41/59/73/463415973.db2.gz BIYFIOLMSWLGCG-MRXNPFEDSA-N 1 0 347.503 2.289 20 70 EEIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1cnn(Cc2ccccc2Cl)c1 ZINC000161337769 463422229 /nfs/dbraw/zinc/42/22/29/463422229.db2.gz NOYNHTHHBBYUAX-OAHLLOKOSA-N 1 0 332.835 2.409 20 70 EEIDRO CCC[C@](C)(CO)NC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000161340888 463423236 /nfs/dbraw/zinc/42/32/36/463423236.db2.gz TZMKYNYRAMAIIJ-DNVCBOLYSA-N 1 0 348.491 2.457 20 70 EEIDRO Cc1cc(F)ccc1C[N@@H+]1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000159424633 206245143 /nfs/dbraw/zinc/24/51/43/206245143.db2.gz AIDKRYPYAFMBGT-MRXNPFEDSA-N 1 0 328.453 2.428 20 70 EEIDRO Cc1ccc(C[N@@H+]2CCCC[C@H]2CCNS(C)(=O)=O)cc1F ZINC000159458802 206246915 /nfs/dbraw/zinc/24/69/15/206246915.db2.gz CYLXIFJZOONFEL-HNNXBMFYSA-N 1 0 328.453 2.428 20 70 EEIDRO O=C(NCc1nccs1)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000159778298 206263056 /nfs/dbraw/zinc/26/30/56/206263056.db2.gz YVDNEVMMNZJZKT-UHFFFAOYSA-N 1 0 345.468 2.277 20 70 EEIDRO C[N@@H+]1CC[C@H](CNC(=O)Cc2ccc(Br)c(F)c2)C1 ZINC000160102554 206278789 /nfs/dbraw/zinc/27/87/89/206278789.db2.gz NXOCIPOHYXZXNF-LLVKDONJSA-N 1 0 329.213 2.199 20 70 EEIDRO O=C(Nc1ccc(O[C@H]2CCOC2)cc1)N1CC[NH+](CC2CC2)CC1 ZINC000160323908 206289506 /nfs/dbraw/zinc/28/95/06/206289506.db2.gz VYEBKRSAKKJCLS-SFHVURJKSA-N 1 0 345.443 2.414 20 70 EEIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1c[nH]cc1-c1ccc(F)cc1 ZINC000160369732 206292508 /nfs/dbraw/zinc/29/25/08/206292508.db2.gz WHCBNCBZOGNOJA-MRXNPFEDSA-N 1 0 345.418 2.397 20 70 EEIDRO C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)C1 ZINC000160549828 206302963 /nfs/dbraw/zinc/30/29/63/206302963.db2.gz XBXGOKXQZOQDKB-GOEBONIOSA-N 1 0 349.862 2.013 20 70 EEIDRO COC(=O)c1ccc2[nH]cc(C(=O)CN3CCC[C@H]([NH+](C)C)C3)c2c1 ZINC000160856334 206316462 /nfs/dbraw/zinc/31/64/62/206316462.db2.gz PHTVJILPPXBVGA-AWEZNQCLSA-N 1 0 343.427 2.163 20 70 EEIDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccc(-c3ccco3)[nH]c2=O)C1 ZINC000161389321 206346176 /nfs/dbraw/zinc/34/61/76/206346176.db2.gz RYJVQQXZXBHZIS-DOMZBBRYSA-N 1 0 329.400 2.093 20 70 EEIDRO C[NH2+][C@@H]1CCN(C(=O)CCCOc2cccc(Br)c2)C1 ZINC000160642774 255800200 /nfs/dbraw/zinc/80/02/00/255800200.db2.gz YWYSBTLFZBHGNI-CYBMUJFWSA-N 1 0 341.249 2.428 20 70 EEIDRO O=C(CCOc1ccccc1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160312653 225386908 /nfs/dbraw/zinc/38/69/08/225386908.db2.gz PGKJHMYXICAOAZ-RTBURBONSA-N 1 0 346.471 2.340 20 70 EEIDRO CC(C)OCc1ccc(CNC(=O)C[N@H+](C)C[C@@H]2CCC[C@@H]2O)cc1 ZINC000159613310 311343380 /nfs/dbraw/zinc/34/33/80/311343380.db2.gz MTAWAILYICRITC-OALUTQOASA-N 1 0 348.487 2.321 20 70 EEIDRO CC(C)(C)OC(=O)NC1(C(=O)NCCC[NH+]2CCCCCC2)CC1 ZINC000159657707 311344331 /nfs/dbraw/zinc/34/43/31/311344331.db2.gz MTCLRSHJLRIWJY-UHFFFAOYSA-N 1 0 339.480 2.426 20 70 EEIDRO COc1ccc(Br)c(CC(=O)NC[C@H]2CC[N@H+](C)C2)c1 ZINC000159970551 311348500 /nfs/dbraw/zinc/34/85/00/311348500.db2.gz YZLOTKPERKCIHC-LLVKDONJSA-N 1 0 341.249 2.068 20 70 EEIDRO CCOc1ncccc1CNC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000160124805 311350088 /nfs/dbraw/zinc/35/00/88/311350088.db2.gz SHZCLNFSMRQVHV-UHFFFAOYSA-N 1 0 334.464 2.496 20 70 EEIDRO C[C@H](Cc1cccc(Cl)c1)C(=O)NCCCN1CC[NH+](C)CC1 ZINC000160193078 311350753 /nfs/dbraw/zinc/35/07/53/311350753.db2.gz 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CCOC(=O)C[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000160076396 463317024 /nfs/dbraw/zinc/31/70/24/463317024.db2.gz WUCJSDWHZKZBSD-DOTOQJQBSA-N 1 0 332.444 2.357 20 70 EEIDRO CCCN(CC1CC1)S(=O)(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160143570 463321438 /nfs/dbraw/zinc/32/14/38/463321438.db2.gz KHTUHKWTBFQWQN-KRWDZBQOSA-N 1 0 343.537 2.304 20 70 EEIDRO C[C@H]1CCc2c(C(=O)NC[C@@H](O)C[NH+]3CCCCC3)csc2C1 ZINC000160496816 463343781 /nfs/dbraw/zinc/34/37/81/463343781.db2.gz XOPWQXOHGOKLOE-UONOGXRCSA-N 1 0 336.501 2.450 20 70 EEIDRO Cc1cccc([C@H](C)CNC(=O)c2cn(C3CC[NH2+]CC3)nn2)c1 ZINC000160732995 463365935 /nfs/dbraw/zinc/36/59/35/463365935.db2.gz XGOVJNCQBNUFTM-CQSZACIVSA-N 1 0 327.432 2.045 20 70 EEIDRO CC(C)N(C)S(=O)(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000160966236 463385711 /nfs/dbraw/zinc/38/57/11/463385711.db2.gz PJEOHZAEBBPFJT-UHFFFAOYSA-N 1 0 331.526 2.204 20 70 EEIDRO COc1cc(CCC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc(OC)c1OC ZINC000160973886 463387676 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CC[N@@H+]1CCCN(C(=O)c2ccccc2CSc2nc[nH]n2)CC1 ZINC000159524314 206250191 /nfs/dbraw/zinc/25/01/91/206250191.db2.gz VVIMYUWIXSOVCP-UHFFFAOYSA-N 1 0 345.472 2.265 20 70 EEIDRO O=C(Nc1ccc(OCc2noc(C3CC3)n2)cc1)[C@H]1CCC[NH2+]C1 ZINC000159769519 206263045 /nfs/dbraw/zinc/26/30/45/206263045.db2.gz FKAZFWMRTNFSLS-ZDUSSCGKSA-N 1 0 342.399 2.464 20 70 EEIDRO CCCNC(=O)[C@H]1CCC[N@@H+]([C@@H]2CCN(c3ccc(C)cc3)C2=O)C1 ZINC000159876209 206268317 /nfs/dbraw/zinc/26/83/17/206268317.db2.gz YYPAOEWYGLCCDP-FUHWJXTLSA-N 1 0 343.471 2.339 20 70 EEIDRO [NH3+]CCCNC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 ZINC000160070414 206278030 /nfs/dbraw/zinc/27/80/30/206278030.db2.gz INALWXAFEQNIQA-KRWDZBQOSA-N 1 0 325.412 2.013 20 70 EEIDRO CC(C)C[C@H](NC(=O)[C@H]1CCC[NH2+]C1)C(=O)OCc1ccccc1 ZINC000160113545 206280320 /nfs/dbraw/zinc/28/03/20/206280320.db2.gz ZOJZAXDIXJRPNJ-IRXDYDNUSA-N 1 0 332.444 2.260 20 70 EEIDRO Cc1ccc(-n2ncc(C(=O)NCCC[NH3+])c2C(F)(F)F)cc1 ZINC000160137077 206280619 /nfs/dbraw/zinc/28/06/19/206280619.db2.gz SCIYWQFTGNKCRM-UHFFFAOYSA-N 1 0 326.322 2.278 20 70 EEIDRO C[C@H](CC(=O)NC[C@@H](O)C[NH+]1CCCCC1)Cc1cccc(F)c1 ZINC000160292288 206287311 /nfs/dbraw/zinc/28/73/11/206287311.db2.gz ILVTZNFGSUCSPK-MAUKXSAKSA-N 1 0 336.451 2.357 20 70 EEIDRO CC[C@@H](C(=O)NCc1ccc(OC)c(Br)c1)[NH+](C)C ZINC000160331852 206291818 /nfs/dbraw/zinc/29/18/18/206291818.db2.gz YAEKECPDEHYEMK-LBPRGKRZSA-N 1 0 329.238 2.414 20 70 EEIDRO C[NH2+][C@@H]1CCN(C(=O)CCC(=O)CCC(=O)c2ccc(C)s2)C1 ZINC000160483029 206299897 /nfs/dbraw/zinc/29/98/97/206299897.db2.gz QHXYMYXPMPOPIH-CYBMUJFWSA-N 1 0 336.457 2.189 20 70 EEIDRO CC[C@H](O)CCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000160748977 206310972 /nfs/dbraw/zinc/31/09/72/206310972.db2.gz LBPNNLLBZAJCGR-KBPBESRZSA-N 1 0 325.478 2.345 20 70 EEIDRO CC[NH2+]CC1CCN(C(=O)CCCc2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000161107863 206328126 /nfs/dbraw/zinc/32/81/26/206328126.db2.gz RWELOIKAPLZHRZ-UHFFFAOYSA-N 1 0 344.459 2.027 20 70 EEIDRO O=C(c1ccnc(OCC(F)(F)F)c1)N1CC[NH+](CC2CC2)CC1 ZINC000161134540 206329518 /nfs/dbraw/zinc/32/95/18/206329518.db2.gz CBKJQLMGMVANKO-UHFFFAOYSA-N 1 0 343.349 2.191 20 70 EEIDRO C[NH2+][C@@H]1CCN(C(=O)c2cc(C)ccc2I)C1 ZINC000160580059 206305360 /nfs/dbraw/zinc/30/53/60/206305360.db2.gz FISBNINKTMZKCG-SNVBAGLBSA-N 1 0 344.196 2.034 20 70 EEIDRO Cc1onc(-c2ccccn2)c1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000161228214 206335995 /nfs/dbraw/zinc/33/59/95/206335995.db2.gz JWOHNQYRTWLWAL-UHFFFAOYSA-N 1 0 326.400 2.402 20 70 EEIDRO CC(C)c1ccc(N2CC[C@H](C(=O)NC[C@H]3CC[N@H+](C)C3)C2=O)cc1 ZINC000161315809 206339937 /nfs/dbraw/zinc/33/99/37/206339937.db2.gz ZDICIBUODHMZKJ-CRAIPNDOSA-N 1 0 343.471 2.231 20 70 EEIDRO CC(C)N(CC[NH+](C)C)C(=O)Nc1ccc(-c2ncn(C)n2)cc1 ZINC000161309447 206340704 /nfs/dbraw/zinc/34/07/04/206340704.db2.gz XIFTYPZTNKXOIL-UHFFFAOYSA-N 1 0 330.436 2.286 20 70 EEIDRO CCC[NH+](CCC)CCCNC(=O)c1csc(S(C)(=O)=O)c1 ZINC000161325724 206342429 /nfs/dbraw/zinc/34/24/29/206342429.db2.gz ULBJETQQFSKIGH-UHFFFAOYSA-N 1 0 346.518 2.394 20 70 EEIDRO COCCN(CC[NH+](C)C)C(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000160808119 284980268 /nfs/dbraw/zinc/98/02/68/284980268.db2.gz AEWZCHFJDLQNRW-MSOLQXFVSA-N 1 0 349.475 2.126 20 70 EEIDRO CCC1(CC)[C@H]([NH2+][C@@H]2CCN(c3cc(C)nn3C)C2=O)C[C@H]1OC ZINC000160122279 143807565 /nfs/dbraw/zinc/80/75/65/143807565.db2.gz HKHFOVFHUAVPGX-RBSFLKMASA-N 1 0 334.464 2.017 20 70 EEIDRO CCN(CC(C)(C)O)C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000161172823 279061889 /nfs/dbraw/zinc/06/18/89/279061889.db2.gz NASYPEUGDYXENK-HNNXBMFYSA-N 1 0 348.491 2.409 20 70 EEIDRO Cc1c(CNC(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)cnn1C ZINC000159722540 311345179 /nfs/dbraw/zinc/34/51/79/311345179.db2.gz ATYIEYMUWFCFKD-KRWDZBQOSA-N 1 0 335.496 2.284 20 70 EEIDRO COC(=O)c1ccc(NC(=O)CC[NH2+]C(C)C)c(OC(F)F)c1 ZINC000159753626 311345693 /nfs/dbraw/zinc/34/56/93/311345693.db2.gz OEJBAXLAMDOVEQ-UHFFFAOYSA-N 1 0 330.331 2.401 20 70 EEIDRO CCC[C@@H]1CN(C(=O)NCc2cccc(F)c2)CC[N@@H+]1CCOC ZINC000160159938 311350435 /nfs/dbraw/zinc/35/04/35/311350435.db2.gz AMRYYJKLRVLDRK-QGZVFWFLSA-N 1 0 337.439 2.468 20 70 EEIDRO C[NH+]1CCC(Oc2ccc(NCc3cc(C(N)=O)cs3)cn2)CC1 ZINC000160135741 311350578 /nfs/dbraw/zinc/35/05/78/311350578.db2.gz GRLKLLPWRIXRBY-UHFFFAOYSA-N 1 0 346.456 2.327 20 70 EEIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cccc(N3CCCC3=O)c1)CC2 ZINC000160454877 311354295 /nfs/dbraw/zinc/35/42/95/311354295.db2.gz ONSXIYKHIUUBBR-BBRMVZONSA-N 1 0 339.443 2.379 20 70 EEIDRO CN(C(=O)CCCOc1ccc2c(c1)OCO2)[C@H]1CCC[N@H+](C)C1 ZINC000159906561 463310403 /nfs/dbraw/zinc/31/04/03/463310403.db2.gz VIMKRJLEVMRRFV-AWEZNQCLSA-N 1 0 334.416 2.127 20 70 EEIDRO CSC[C@H](CCO)[NH2+][C@@H](C)c1nnn(-c2ccc(F)cc2)c1C ZINC000160291547 463327670 /nfs/dbraw/zinc/32/76/70/463327670.db2.gz YTLVKZMACSUYJE-FZMZJTMJSA-N 1 0 338.452 2.479 20 70 EEIDRO CC(C)c1cccc(OCC(=O)NC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000160327972 463329125 /nfs/dbraw/zinc/32/91/25/463329125.db2.gz ONHUBTFLSJUXSU-KRWDZBQOSA-N 1 0 334.460 2.152 20 70 EEIDRO Cc1cccc2nc(C[NH2+][C@@H](C)c3ccc(-n4cnnn4)cc3)cn21 ZINC000160339251 463329880 /nfs/dbraw/zinc/32/98/80/463329880.db2.gz FYBSYKJULXPHAB-AWEZNQCLSA-N 1 0 333.399 2.469 20 70 EEIDRO Cc1ccc2c(CC(=O)NC[C@@H](O)C[NH+]3CCCCC3)coc2c1 ZINC000160529737 463346795 /nfs/dbraw/zinc/34/67/95/463346795.db2.gz YHYYBZKRPJNXCL-MRXNPFEDSA-N 1 0 330.428 2.247 20 70 EEIDRO C[NH2+][C@H]1CCN(C(=O)c2ccc(NC(=O)c3cccs3)cc2)C1 ZINC000160560052 463350000 /nfs/dbraw/zinc/35/00/00/463350000.db2.gz XNHCRQFNHRSNPT-AWEZNQCLSA-N 1 0 329.425 2.434 20 70 EEIDRO Cc1ccc(-c2cc(C(=O)NCC3CC[NH+](CCO)CC3)on2)cc1 ZINC000160690889 463362885 /nfs/dbraw/zinc/36/28/85/463362885.db2.gz FTUNIDFELNQKPX-UHFFFAOYSA-N 1 0 343.427 2.084 20 70 EEIDRO O=C(C[C@H]1CCC[NH2+]1)N[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000160935277 463384168 /nfs/dbraw/zinc/38/41/68/463384168.db2.gz VXCAKPYUMQPHFS-OCCSQVGLSA-N 1 0 335.835 2.094 20 70 EEIDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N(CCCCO)C1CC1 ZINC000160960861 463386542 /nfs/dbraw/zinc/38/65/42/463386542.db2.gz IKMKPAPBTLQZBE-KRWDZBQOSA-N 1 0 325.497 2.443 20 70 EEIDRO CCC[NH+]1CCC(NC(=O)Cc2cccc(OCCOC)c2)CC1 ZINC000161187479 463408888 /nfs/dbraw/zinc/40/88/88/463408888.db2.gz WPMJKBIQNHBTIE-UHFFFAOYSA-N 1 0 334.460 2.245 20 70 EEIDRO Cc1noc(C)c1[C@@H](C)NCC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000160438456 539521129 /nfs/dbraw/zinc/52/11/29/539521129.db2.gz AKIBBDZNQCHJEN-DYVFJYSZSA-N 1 0 344.459 2.361 20 70 EEIDRO C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@H+](C)C[C@H](O)C1CC1 ZINC000160797657 539524094 /nfs/dbraw/zinc/52/40/94/539524094.db2.gz WFDDLWQMLVOLLG-HZMBPMFUSA-N 1 0 341.249 2.479 20 70 EEIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc2[nH]cnc2c1 ZINC000159448021 206246412 /nfs/dbraw/zinc/24/64/12/206246412.db2.gz OWSRAPWKAATBMA-MSOLQXFVSA-N 1 0 342.443 2.061 20 70 EEIDRO CCOC(=O)NCCCC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000159657404 206257164 /nfs/dbraw/zinc/25/71/64/206257164.db2.gz YOKPZHGOFZZDBH-OAHLLOKOSA-N 1 0 339.411 2.071 20 70 EEIDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)C[C@H]1COC(=O)C1 ZINC000159692262 206259256 /nfs/dbraw/zinc/25/92/56/206259256.db2.gz AKZLQGBDOOWEPC-BFYDXBDKSA-N 1 0 344.455 2.212 20 70 EEIDRO CC(C)OC(=O)CCCNC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000159472501 206248171 /nfs/dbraw/zinc/24/81/71/206248171.db2.gz ZYOYASYESFUWAN-INIZCTEOSA-N 1 0 335.448 2.320 20 70 EEIDRO Cc1cc(C)cc([C@@H](C)[NH2+]C2CCN(CCS(C)(=O)=O)CC2)c1 ZINC000159883761 206268296 /nfs/dbraw/zinc/26/82/96/206268296.db2.gz MFGLXWVOKQTGRY-MRXNPFEDSA-N 1 0 338.517 2.463 20 70 EEIDRO CC1CC[NH+](CCNC(=O)CCc2nc(-c3ccoc3)no2)CC1 ZINC000159876784 206268818 /nfs/dbraw/zinc/26/88/18/206268818.db2.gz CFJUEHCBEMNKBW-UHFFFAOYSA-N 1 0 332.404 2.110 20 70 EEIDRO C[C@@H](O)C[C@H](C)CNC(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160006803 206275026 /nfs/dbraw/zinc/27/50/26/206275026.db2.gz PUEOYANCANSKMO-BVIKNXMNSA-N 1 0 333.476 2.356 20 70 EEIDRO CC(C)[NH+]1CCN(C(=O)Nc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000160368697 206292993 /nfs/dbraw/zinc/29/29/93/206292993.db2.gz WECSXSMIHXMBOQ-KRWDZBQOSA-N 1 0 333.432 2.412 20 70 EEIDRO COCCOc1ccc([C@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)cc1 ZINC000160392630 206294395 /nfs/dbraw/zinc/29/43/95/206294395.db2.gz AUCGLTJDPYLWPQ-BBRMVZONSA-N 1 0 330.432 2.277 20 70 EEIDRO CC[C@H](COC)[NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000160951205 206319614 /nfs/dbraw/zinc/31/96/14/206319614.db2.gz GNCVWGGVPMFRBY-RVKKMQEKSA-N 1 0 334.460 2.451 20 70 EEIDRO C[C@@H](NC(=O)N1CCC([N@H+](C)CCO)CC1)c1ccc(F)c(F)c1 ZINC000161108447 206328501 /nfs/dbraw/zinc/32/85/01/206328501.db2.gz MTMBUPWRZGWNMD-GFCCVEGCSA-N 1 0 341.402 2.124 20 70 EEIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(CNC(=O)C(C)(C)C)cc1 ZINC000161207530 206333849 /nfs/dbraw/zinc/33/38/49/206333849.db2.gz DPZOBCOUQVNQMT-MRXNPFEDSA-N 1 0 331.460 2.173 20 70 EEIDRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C2CCN(C)CC2)cc1 ZINC000161488723 206350776 /nfs/dbraw/zinc/35/07/76/206350776.db2.gz DEVPXKQSDQBHDK-ZDUSSCGKSA-N 1 0 325.478 2.193 20 70 EEIDRO COCC[NH+]1CCC(NC(=O)c2cc(C3CCCCC3)n[nH]2)CC1 ZINC000160302514 225383243 /nfs/dbraw/zinc/38/32/43/225383243.db2.gz KTRVPKGGMDGPOJ-UHFFFAOYSA-N 1 0 334.464 2.298 20 70 EEIDRO O=C(CC[C@@H]1CCCCO1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160376782 225399199 /nfs/dbraw/zinc/39/91/99/225399199.db2.gz CVMAKSHOUKYUGR-RCCFBDPRSA-N 1 0 338.492 2.220 20 70 EEIDRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)NCC[NH+]1CCCCC1 ZINC000159889304 311347565 /nfs/dbraw/zinc/34/75/65/311347565.db2.gz HMZJUSSTHRPGLF-LSDHHAIUSA-N 1 0 339.480 2.282 20 70 EEIDRO CC(C)n1cnnc1SCC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000160420364 311353971 /nfs/dbraw/zinc/35/39/71/311353971.db2.gz HXGRPXXVCPNAAV-UHFFFAOYSA-N 1 0 347.488 2.329 20 70 EEIDRO CCOC(=O)C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000160503803 311355252 /nfs/dbraw/zinc/35/52/52/311355252.db2.gz IYASJVOFQPJWEA-NVXWUHKLSA-N 1 0 332.444 2.499 20 70 EEIDRO CCC[N@H+](Cc1cccc(-n2cccn2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000161075376 311361833 /nfs/dbraw/zinc/36/18/33/311361833.db2.gz VXNUYVJHMMYGBF-KRWDZBQOSA-N 1 0 333.457 2.271 20 70 EEIDRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2CSc2nc[nH]n2)C1 ZINC000159509348 463290006 /nfs/dbraw/zinc/29/00/06/463290006.db2.gz JUMWQKPMWLHMOP-CYBMUJFWSA-N 1 0 345.472 2.169 20 70 EEIDRO O=C(NCCCc1ccccc1)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000159627468 463296358 /nfs/dbraw/zinc/29/63/58/463296358.db2.gz DCGJBLBDMRVDFI-UHFFFAOYSA-N 1 0 345.487 2.164 20 70 EEIDRO CC1(C)CC(NC(=O)N2CCCN(CC(F)F)CC2)CC(C)(C)[NH2+]1 ZINC000159661067 463297787 /nfs/dbraw/zinc/29/77/87/463297787.db2.gz CWDJZFYYRNYEES-UHFFFAOYSA-N 1 0 346.466 2.278 20 70 EEIDRO CCC(CC)N1C[C@@H](C(=O)N2CCC([NH2+]CC3CC3)CC2)CC1=O ZINC000159775108 463303818 /nfs/dbraw/zinc/30/38/18/463303818.db2.gz NNEAZECAMOVJIK-HNNXBMFYSA-N 1 0 335.492 2.014 20 70 EEIDRO CCN(CC)C(=O)C[C@@H](C)[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000160146992 463320855 /nfs/dbraw/zinc/32/08/55/463320855.db2.gz RPULQHCDDUXSGQ-ZIAGYGMSSA-N 1 0 340.489 2.388 20 70 EEIDRO CCC([NH3+])(CC)CNC(=O)[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000160484606 463342587 /nfs/dbraw/zinc/34/25/87/463342587.db2.gz XUASOTRHBPOSTN-AWEZNQCLSA-N 1 0 337.851 2.327 20 70 EEIDRO COCCCN(CCc1ccc(OC)cc1)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000160880467 463379620 /nfs/dbraw/zinc/37/96/20/463379620.db2.gz DWEQDGGKRRHRPX-QGZVFWFLSA-N 1 0 334.460 2.102 20 70 EEIDRO C[C@@H](CNS(=O)(=O)Cc1c(F)cccc1F)C[NH+]1CCCC1 ZINC000160900557 463380664 /nfs/dbraw/zinc/38/06/64/463380664.db2.gz UNZAJKVLXKEKNS-LBPRGKRZSA-N 1 0 332.416 2.116 20 70 EEIDRO COc1ccc(C(C)(C)C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000160949714 463385139 /nfs/dbraw/zinc/38/51/39/463385139.db2.gz LXTSKTJZQSHVAQ-MRXNPFEDSA-N 1 0 346.471 2.154 20 70 EEIDRO CC(C)(C)C(=O)N1CCC(C[N@@H+]2CCC[C@H](Cn3ccnn3)C2)CC1 ZINC000160988002 463388459 /nfs/dbraw/zinc/38/84/59/463388459.db2.gz OUEQBLBSYZTDLM-KRWDZBQOSA-N 1 0 347.507 2.275 20 70 EEIDRO O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N1CCC(n2ccnc2)CC1 ZINC000161073510 463397162 /nfs/dbraw/zinc/39/71/62/463397162.db2.gz DTCVVAPDTVNFEL-XHSDSOJGSA-N 1 0 330.432 2.187 20 70 EEIDRO Cc1ccc(NC(=O)CSCC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000161379009 463426313 /nfs/dbraw/zinc/42/63/13/463426313.db2.gz OAULSMCOXLMWAO-HIFRSBDPSA-N 1 0 335.473 2.053 20 70 EEIDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N2CCCC2)C1 ZINC000161379329 463426872 /nfs/dbraw/zinc/42/68/72/463426872.db2.gz YAWBROGKRHGDOR-BDXSIMOUSA-N 1 0 349.519 2.260 20 70 EEIDRO CCOCCC1(C(=O)NC[C@@H](C(C)C)N2CCOCC2)CCC1 ZINC000161471797 463431821 /nfs/dbraw/zinc/43/18/21/463431821.db2.gz KBCKEKAHWHHJBQ-INIZCTEOSA-N 1 0 326.481 2.056 20 70 EEIDRO C[N@@H+](CC(=O)Nc1ccccc1Br)C[C@H]1CCC[C@@H]1O ZINC000159479002 206247834 /nfs/dbraw/zinc/24/78/34/206247834.db2.gz SSMSQCNFQQKKNC-RISCZKNCSA-N 1 0 341.249 2.480 20 70 EEIDRO Cc1ccc(N2CC[C@H]([NH+]3CCC(C4OCCO4)CC3)C2=O)cc1 ZINC000160176116 206283476 /nfs/dbraw/zinc/28/34/76/206283476.db2.gz ZKDSKTJHHTXNAP-KRWDZBQOSA-N 1 0 330.428 2.185 20 70 EEIDRO C[C@H]1C[C@H](NC(=O)N(C)CCn2cccn2)C[N@@H+]1Cc1ccccc1 ZINC000160403934 206296384 /nfs/dbraw/zinc/29/63/84/206296384.db2.gz CCSVCFCTMGJUMO-WMZOPIPTSA-N 1 0 341.459 2.188 20 70 EEIDRO COCCN(C(=O)[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(OC)c(OC)c1 ZINC000160970718 206320597 /nfs/dbraw/zinc/32/05/97/206320597.db2.gz GPHBTNGTHKWFTN-UONOGXRCSA-N 1 0 336.432 2.201 20 70 EEIDRO c1cc(C[NH2+]C2CCC3(CC2)OCCO3)cc(CN2CCOCC2)c1 ZINC000161024331 206323888 /nfs/dbraw/zinc/32/38/88/206323888.db2.gz CERHEEVRAVHFMA-UHFFFAOYSA-N 1 0 346.471 2.294 20 70 EEIDRO CC[C@H]1Oc2cc([C@H](C)NC(=O)[C@@H]3CCC[C@H]([NH3+])C3)ccc2NC1=O ZINC000161370122 206344520 /nfs/dbraw/zinc/34/45/20/206344520.db2.gz WRNMLGTURGGUFA-ZGMNHVEMSA-N 1 0 345.443 2.491 20 70 EEIDRO CCc1cc(N2CCC[C@H]([NH2+]C3CCC(NC(C)=O)CC3)C2)ncn1 ZINC000161437518 206347827 /nfs/dbraw/zinc/34/78/27/206347827.db2.gz FPHBKFSPVIECFH-ABHNRTSZSA-N 1 0 345.491 2.045 20 70 EEIDRO C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@@H](CO)c1ccccc1 ZINC000161493669 206351442 /nfs/dbraw/zinc/35/14/42/206351442.db2.gz NKSCBFHDBISHCJ-OCCSQVGLSA-N 1 0 338.249 2.400 20 70 EEIDRO C[C@@H](OC[C@@H]1CCCCO1)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000159727469 143801713 /nfs/dbraw/zinc/80/17/13/143801713.db2.gz ARZVSBCJBCPFHI-WBVHZDCISA-N 1 0 326.481 2.389 20 70 EEIDRO CC1CC[NH+](CCNC(=O)c2ccnc(OCC(F)(F)F)c2)CC1 ZINC000160554570 159712563 /nfs/dbraw/zinc/71/25/63/159712563.db2.gz JJWQUVIMZRANQI-UHFFFAOYSA-N 1 0 345.365 2.484 20 70 EEIDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCCOc1ccc(Cl)cn1 ZINC000160098978 311350140 /nfs/dbraw/zinc/35/01/40/311350140.db2.gz WXEXQWKXRKCXDN-CQSZACIVSA-N 1 0 340.855 2.287 20 70 EEIDRO O=C(NCCCc1nc2ccccc2[nH]1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000161108301 311362345 /nfs/dbraw/zinc/36/23/45/311362345.db2.gz QWNLUAMCESLQNG-AWEZNQCLSA-N 1 0 341.459 2.279 20 70 EEIDRO CC(C)OC(=O)CCCNC(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000159511709 463290281 /nfs/dbraw/zinc/29/02/81/463290281.db2.gz ALNHGGQFHVHJLA-OAHLLOKOSA-N 1 0 327.469 2.282 20 70 EEIDRO Cc1c(CNC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)cnn1C ZINC000159567174 463293258 /nfs/dbraw/zinc/29/32/58/463293258.db2.gz SJACNCDGBMSMNV-GOSISDBHSA-N 1 0 341.459 2.365 20 70 EEIDRO CCOC(=O)C1(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)CCC1 ZINC000159661452 463297144 /nfs/dbraw/zinc/29/71/44/463297144.db2.gz NAFQFZOBKZBSIG-HNNXBMFYSA-N 1 0 336.407 2.278 20 70 EEIDRO Cc1nc(COc2ccc(C[N@H+]3C[C@@H](C(N)=O)CC[C@@H]3C)cc2)no1 ZINC000159669180 463299002 /nfs/dbraw/zinc/29/90/02/463299002.db2.gz MZONXCCZOBJICB-WFASDCNBSA-N 1 0 344.415 2.043 20 70 EEIDRO O=C(c1cc2ccccc2oc1=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159791544 463305056 /nfs/dbraw/zinc/30/50/56/463305056.db2.gz SHFRHXBLLIEXMN-UHFFFAOYSA-N 1 0 326.396 2.397 20 70 EEIDRO CCN(CC)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-n2c(C)c[nH]c2=O)cc1 ZINC000159880689 463309342 /nfs/dbraw/zinc/30/93/42/463309342.db2.gz QTOOKOXSJBPPRR-HUUCEWRRSA-N 1 0 344.459 2.382 20 70 EEIDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCOC[C@@H]1C1CC1 ZINC000159932443 463311192 /nfs/dbraw/zinc/31/11/92/463311192.db2.gz FUDDNJIMIWVXSE-ZYSHUDEJSA-N 1 0 343.471 2.327 20 70 EEIDRO CC(C)([NH3+])CNC(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000159939396 463311212 /nfs/dbraw/zinc/31/12/12/463311212.db2.gz RREWFILIFBQEGF-JTQLQIEISA-N 1 0 344.242 2.200 20 70 EEIDRO CC[C@@H]1COCCN1C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000159971312 463312328 /nfs/dbraw/zinc/31/23/28/463312328.db2.gz ZUAZZVYBIGJGCD-JQHSSLGASA-N 1 0 331.460 2.327 20 70 EEIDRO CC(C)(O)C[NH+]1CCN(Cc2ncc(-c3ccccc3F)o2)CC1 ZINC000160425771 463336982 /nfs/dbraw/zinc/33/69/82/463336982.db2.gz QGTNGTDKJXWKRI-UHFFFAOYSA-N 1 0 333.407 2.369 20 70 EEIDRO CCCC1(CNC(=O)[C@H]2CC(=O)N(C[C@@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000160537372 463347640 /nfs/dbraw/zinc/34/76/40/463347640.db2.gz TZANWTPPGRMBOO-HOTGVXAUSA-N 1 0 335.492 2.016 20 70 EEIDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cc1)c1cnn(C)c1 ZINC000160780370 463370589 /nfs/dbraw/zinc/37/05/89/463370589.db2.gz PZJGWLYNXAAHMJ-SNVBAGLBSA-N 1 0 337.221 2.472 20 70 EEIDRO C[NH2+][C@H]1CCN(C(=O)C2CCN(c3nc4ccccc4s3)CC2)C1 ZINC000160803327 463372577 /nfs/dbraw/zinc/37/25/77/463372577.db2.gz NZQPWRLRRNDKKX-AWEZNQCLSA-N 1 0 344.484 2.333 20 70 EEIDRO Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@H+](C)C[C@H](O)C2CC2)c(C)c1 ZINC000160825376 463373526 /nfs/dbraw/zinc/37/35/26/463373526.db2.gz ULNDHWIBZXGNDA-BBRMVZONSA-N 1 0 333.432 2.043 20 70 EEIDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000161011369 463390764 /nfs/dbraw/zinc/39/07/64/463390764.db2.gz KOQFUCWFRPQUBX-UHOSZYNNSA-N 1 0 345.487 2.454 20 70 EEIDRO COc1cccc(O[C@H](C)CNC(=O)C2([NH3+])Cc3ccccc3C2)c1 ZINC000161128049 463401802 /nfs/dbraw/zinc/40/18/02/463401802.db2.gz DNEQKODTMIFGEF-CQSZACIVSA-N 1 0 340.423 2.075 20 70 EEIDRO CCC(=O)N1CC[C@@H](C(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)C1 ZINC000161154537 463405250 /nfs/dbraw/zinc/40/52/50/463405250.db2.gz FLJRFIYIIDYSMG-QZTJIDSGSA-N 1 0 349.519 2.215 20 70 EEIDRO Cc1onc(-c2ccccn2)c1C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000161341268 463423398 /nfs/dbraw/zinc/42/33/98/463423398.db2.gz CZMCAQBRYBOFTA-AWEZNQCLSA-N 1 0 326.400 2.355 20 70 EEIDRO Cc1nc(-c2ccc(C(=O)N[C@H]3C[N@H+](C(C)C)C[C@@H]3C)cc2)n[nH]1 ZINC000161374201 463426893 /nfs/dbraw/zinc/42/68/93/463426893.db2.gz VXDALLBSCPHNAJ-LRDDRELGSA-N 1 0 327.432 2.239 20 70 EEIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2ccc(-c3n[nH]c(C4CC4)n3)cc2)C1 ZINC000161445601 463431049 /nfs/dbraw/zinc/43/10/49/463431049.db2.gz POJOUEXDKLRGJV-HUUCEWRRSA-N 1 0 325.416 2.349 20 70 EEIDRO CCc1cc(N2CCC[C@@H]([NH2+]C3CCC4(CC3)OCCO4)C2)ncn1 ZINC000161437928 463431140 /nfs/dbraw/zinc/43/11/40/463431140.db2.gz ILBIHFBVWPSAES-QGZVFWFLSA-N 1 0 346.475 2.283 20 70 EEIDRO CC(=O)CCc1ccc(OCCC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000161490797 463434152 /nfs/dbraw/zinc/43/41/52/463434152.db2.gz DIAFJJCNJPPAEI-SJORKVTESA-N 1 0 332.444 2.363 20 70 EEIDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N2CCC[C@@](C)(O)C2)C1 ZINC000160854505 297227132 /nfs/dbraw/zinc/22/71/32/297227132.db2.gz CHKKWDSOTLHDGW-IIDMSEBBSA-N 1 0 325.497 2.299 20 70 EEIDRO C[C@@H](C(=O)NCC1CCCCC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161330478 539527361 /nfs/dbraw/zinc/52/73/61/539527361.db2.gz BBHIGCOEZRKXSM-INIZCTEOSA-N 1 0 330.476 2.289 20 70 EEIDRO C[C@H](C(=O)N(C)Cc1ccccc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161322884 539527460 /nfs/dbraw/zinc/52/74/60/539527460.db2.gz WOPNXMWBRXYIAN-QGZVFWFLSA-N 1 0 338.455 2.251 20 70 EEIDRO COCc1ccc(C[N@@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)cc1 ZINC000159402930 206244200 /nfs/dbraw/zinc/24/42/00/206244200.db2.gz VDBMRVKYDHMGRH-QGZVFWFLSA-N 1 0 340.489 2.127 20 70 EEIDRO CCC[C@H]([NH3+])C(=O)Nc1cc(S(=O)(=O)C(F)F)ccc1NCC ZINC000159666322 206258313 /nfs/dbraw/zinc/25/83/13/206258313.db2.gz NTNBKFROZGEPLK-JTQLQIEISA-N 1 0 349.403 2.181 20 70 EEIDRO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(C)(C)C ZINC000159757202 206262628 /nfs/dbraw/zinc/26/26/28/206262628.db2.gz LVNOTQCVDFBOQJ-CQSZACIVSA-N 1 0 340.489 2.232 20 70 EEIDRO Cc1nc(-c2ncccn2)sc1C(=O)NCC1([NH3+])CCCCC1 ZINC000159759664 206262736 /nfs/dbraw/zinc/26/27/36/206262736.db2.gz LQDJSNHFHGJHTC-UHFFFAOYSA-N 1 0 331.445 2.300 20 70 EEIDRO COc1ccc(CN(C(=O)C[N@H+](C)C[C@@H]2CCC[C@@H]2O)C2CC2)cc1 ZINC000159843159 206266349 /nfs/dbraw/zinc/26/63/49/206266349.db2.gz FVIQBKQGSFVWKZ-LPHOPBHVSA-N 1 0 346.471 2.279 20 70 EEIDRO Cc1cc(C)cc([C@H](C)[NH2+]C2CCN(CCS(C)(=O)=O)CC2)c1 ZINC000159883890 206269120 /nfs/dbraw/zinc/26/91/20/206269120.db2.gz MFGLXWVOKQTGRY-INIZCTEOSA-N 1 0 338.517 2.463 20 70 EEIDRO C[C@@H]1CCC[N@H+](CCNC(=O)CCc2nc(-c3ccoc3)no2)C1 ZINC000159901063 206270010 /nfs/dbraw/zinc/27/00/10/206270010.db2.gz ISZMRBLMUBSZON-CYBMUJFWSA-N 1 0 332.404 2.110 20 70 EEIDRO C[C@@H]1C[C@H](NC(=O)N(C)C[C@@H]2CCOC2)C[N@@H+]1Cc1ccccc1 ZINC000160278084 206288531 /nfs/dbraw/zinc/28/85/31/206288531.db2.gz YEQXDUORYQHAJE-NJAFHUGGSA-N 1 0 331.460 2.327 20 70 EEIDRO COc1cccc(CCC[N@@H+]2CCCC[C@H]2C(=O)N2CCOCC2)c1 ZINC000160390566 206293925 /nfs/dbraw/zinc/29/39/25/206293925.db2.gz XFXPROOLNRPHES-IBGZPJMESA-N 1 0 346.471 2.341 20 70 EEIDRO C[C@@]1(O)CCCN(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000160481237 206298755 /nfs/dbraw/zinc/29/87/55/206298755.db2.gz PMILRVHQKMERSH-PKOBYXMFSA-N 1 0 331.460 2.207 20 70 EEIDRO O=C(NCC[NH+]1CCCCC1)NCc1cccnc1OCC(F)F ZINC000160694731 206309047 /nfs/dbraw/zinc/30/90/47/206309047.db2.gz YEHIWNBOJWRBBG-UHFFFAOYSA-N 1 0 342.390 2.011 20 70 EEIDRO C[NH2+][C@@H]1CCN(C(=O)c2cccc(-n3nccc3C(F)(F)F)c2)C1 ZINC000160803657 206313756 /nfs/dbraw/zinc/31/37/56/206313756.db2.gz QUSGHKPJSVAFES-GFCCVEGCSA-N 1 0 338.333 2.325 20 70 EEIDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccc(C(=O)NC2CC2)cc1 ZINC000160927846 206319994 /nfs/dbraw/zinc/31/99/94/206319994.db2.gz PJUYCBTWGUBXPV-LSDHHAIUSA-N 1 0 343.471 2.429 20 70 EEIDRO CSCC[C@@H]([NH3+])C(=O)NC[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000160969530 206321627 /nfs/dbraw/zinc/32/16/27/206321627.db2.gz FEFQCANVBICXHZ-VXGBXAGGSA-N 1 0 337.272 2.223 20 70 EEIDRO CC[NH2+]CC1CCN(C(=O)CSCC(=O)c2ccccc2)CC1 ZINC000161027007 206323815 /nfs/dbraw/zinc/32/38/15/206323815.db2.gz QUSRDJXKWVYVBV-UHFFFAOYSA-N 1 0 334.485 2.451 20 70 EEIDRO C[N@@H+]1CC[C@H](CNC(=O)c2ccc(CNC(=O)C(C)(C)C)cc2)C1 ZINC000161312214 206340619 /nfs/dbraw/zinc/34/06/19/206340619.db2.gz DMSUKLVJEWHHCM-OAHLLOKOSA-N 1 0 331.460 2.030 20 70 EEIDRO CCC(=O)N1CC[C@H](C(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)C1 ZINC000161339492 206341419 /nfs/dbraw/zinc/34/14/19/206341419.db2.gz QGMMBEUDSBYCCB-JKSUJKDBSA-N 1 0 347.459 2.100 20 70 EEIDRO Cc1ccc([C@@H](CNC(=O)N2CCC[C@@](C)(O)C2)[NH+]2CCCC2)o1 ZINC000161498580 206353766 /nfs/dbraw/zinc/35/37/66/206353766.db2.gz VJSUQCDRUNFYHL-CRAIPNDOSA-N 1 0 335.448 2.281 20 70 EEIDRO CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@@H](C)C(=O)NC1CC1 ZINC000160041617 276341693 /nfs/dbraw/zinc/34/16/93/276341693.db2.gz LCGGZUBKQJRPEC-HNNXBMFYSA-N 1 0 330.476 2.287 20 70 EEIDRO Cc1ccc(SCCNC(=O)C[N@H+](C)C[C@H]2CCC[C@@H]2O)cc1 ZINC000159505182 311342123 /nfs/dbraw/zinc/34/21/23/311342123.db2.gz DLJWGXPTTCLSMI-WBVHZDCISA-N 1 0 336.501 2.296 20 70 EEIDRO Cc1ccc(Nc2nc(N)nc(CN(C)C[C@H]3CCC[C@@H]3O)n2)cc1 ZINC000159731820 311345256 /nfs/dbraw/zinc/34/52/56/311345256.db2.gz JRKUFDCZDUXDNV-HIFRSBDPSA-N 1 0 342.447 2.099 20 70 EEIDRO COc1cccc(-c2cc(C(=O)N(C)[C@@H]3CCC[N@H+](C)C3)[nH]n2)c1 ZINC000159909323 311347824 /nfs/dbraw/zinc/34/78/24/311347824.db2.gz KRKJEOOFDKKDON-CQSZACIVSA-N 1 0 328.416 2.252 20 70 EEIDRO C[C@@H]1C[C@@H](NC(=O)N2C[C@@H](C)O[C@@H](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000160028218 311349091 /nfs/dbraw/zinc/34/90/91/311349091.db2.gz WRYFCNOWHZXWMK-XLMAVXFVSA-N 1 0 331.460 2.468 20 70 EEIDRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)NC1CCOCC1 ZINC000160680588 311357305 /nfs/dbraw/zinc/35/73/05/311357305.db2.gz QNTYHGYOMPQEOT-UHFFFAOYSA-N 1 0 332.448 2.118 20 70 EEIDRO C[C@@H]1CCC[C@H](C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C1 ZINC000159533117 463290963 /nfs/dbraw/zinc/29/09/63/463290963.db2.gz JMCUOKJRXKLXCL-WBVHZDCISA-N 1 0 330.476 2.276 20 70 EEIDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cccc2[nH]c(=O)oc21 ZINC000160900272 463381061 /nfs/dbraw/zinc/38/10/61/463381061.db2.gz ZMWKWOUKORJGHC-FRRDWIJNSA-N 1 0 331.416 2.217 20 70 EEIDRO CCC(CC)(C[NH3+])C(=O)N[C@@H]1CCN(c2ccc(F)cc2F)C1 ZINC000161283956 463415585 /nfs/dbraw/zinc/41/55/85/463415585.db2.gz HIHZAFAQFPIQBN-CYBMUJFWSA-N 1 0 325.403 2.425 20 70 EEIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2ccc(OCC(F)(F)C(F)F)nc2)C1 ZINC000161284693 463415775 /nfs/dbraw/zinc/41/57/75/463415775.db2.gz NDGLTBZGQXGUIC-MNOVXSKESA-N 1 0 349.328 2.361 20 70 EEIDRO C[NH2+]C[C@@H]1CCCN1C(=O)CN(Cc1cccnc1)c1ccccc1 ZINC000161355506 463424005 /nfs/dbraw/zinc/42/40/05/463424005.db2.gz MNPJWQJQXZFVAT-IBGZPJMESA-N 1 0 338.455 2.299 20 70 EEIDRO CC(C)(C)CNC(=O)c1ccc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000161467093 463432105 /nfs/dbraw/zinc/43/21/05/463432105.db2.gz VONRECFQMYTPRX-HOTGVXAUSA-N 1 0 331.460 2.462 20 70 EEIDRO C[C@@H]1CCc2sc(C(=O)NC[C@@H](O)C[NH+]3CCCCC3)cc2C1 ZINC000160126318 534271367 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COc1cc(F)c([C@@H](C)NC(=O)[C@@H]([NH3+])CCSC)cc1OC ZINC000159966452 206273536 /nfs/dbraw/zinc/27/35/36/206273536.db2.gz DBXLHPZHLSNVAC-SKDRFNHKSA-N 1 0 330.425 2.101 20 70 EEIDRO C[C@@H](O)C[C@H](C)CNC(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160006535 206275097 /nfs/dbraw/zinc/27/50/97/206275097.db2.gz PUEOYANCANSKMO-LHHMISFZSA-N 1 0 333.476 2.356 20 70 EEIDRO CC(C)Oc1cc(CNC(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)ccn1 ZINC000160000837 206275162 /nfs/dbraw/zinc/27/51/62/206275162.db2.gz MPJZHHKYFJYHST-DZGCQCFKSA-N 1 0 332.448 2.293 20 70 EEIDRO CCc1ccc([C@H](C)CC(=O)NC[C@H](C)N2CC[NH+](C)CC2)cc1 ZINC000160158318 206282064 /nfs/dbraw/zinc/28/20/64/206282064.db2.gz UKJOPOUCHLKCSW-SJORKVTESA-N 1 0 331.504 2.495 20 70 EEIDRO CC(C)[C@H](Cc1ccccc1)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160468553 206299550 /nfs/dbraw/zinc/29/95/50/206299550.db2.gz JPXCHNSGXGDOLF-MOPGFXCFSA-N 1 0 332.488 2.464 20 70 EEIDRO C[NH2+][C@H]1CCN(C(=O)c2nc(C(C)C)n(-c3ccccc3Cl)n2)C1 ZINC000160674231 206308093 /nfs/dbraw/zinc/30/80/93/206308093.db2.gz SAIZDJLJKCYFIS-LBPRGKRZSA-N 1 0 347.850 2.478 20 70 EEIDRO C[NH2+][C@H]1CCN(C(=O)CCOc2ccc(C)cc2Br)C1 ZINC000160756920 206311850 /nfs/dbraw/zinc/31/18/50/206311850.db2.gz TVPLOJLSTKIBOU-LBPRGKRZSA-N 1 0 341.249 2.347 20 70 EEIDRO CCOc1cc2c(cc1CNC(=O)[C@@]1(C)CCC[NH2+]C1)O[C@H](C)C2 ZINC000161313187 206340825 /nfs/dbraw/zinc/34/08/25/206340825.db2.gz YOXCLGAHMAGHKP-YJYMSZOUSA-N 1 0 332.444 2.415 20 70 EEIDRO CCC([NH3+])(CC)CNC(=O)C[C@H]1c2ccccc2CCN1C(C)=O ZINC000160412968 159711764 /nfs/dbraw/zinc/71/17/64/159711764.db2.gz ISURPBJZSVWHSY-KRWDZBQOSA-N 1 0 331.460 2.156 20 70 EEIDRO CN(CC(=O)Nc1ccc(Br)cc1)[C@H](C[NH3+])C1CC1 ZINC000160024401 276919721 /nfs/dbraw/zinc/91/97/21/276919721.db2.gz DYMPSIPIVVMRNG-CYBMUJFWSA-N 1 0 326.238 2.057 20 70 EEIDRO C[C@H]1C[C@@H](NC(=O)N2CCOC(C)(C)C2)C[N@@H+]1Cc1ccccc1 ZINC000159974491 311348718 /nfs/dbraw/zinc/34/87/18/311348718.db2.gz MKVUYKDNVIGPGE-DOTOQJQBSA-N 1 0 331.460 2.470 20 70 EEIDRO CCOC(=O)NCCCC(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000160272020 311352353 /nfs/dbraw/zinc/35/23/53/311352353.db2.gz FUPQTOJYMVKUJM-UHFFFAOYSA-N 1 0 327.469 2.093 20 70 EEIDRO O=C(CCOc1ccccc1)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160312519 311352677 /nfs/dbraw/zinc/35/26/77/311352677.db2.gz PGKJHMYXICAOAZ-OALUTQOASA-N 1 0 346.471 2.340 20 70 EEIDRO C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+][C@@H](C)Cn1cncn1 ZINC000160483793 311354556 /nfs/dbraw/zinc/35/45/56/311354556.db2.gz MISRCAQXNVKFKB-ILXRZTDVSA-N 1 0 337.468 2.434 20 70 EEIDRO [NH3+]C1(CNC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)CCCCC1 ZINC000159466077 463287685 /nfs/dbraw/zinc/28/76/85/463287685.db2.gz USQIOJFUHIBDAM-ZDUSSCGKSA-N 1 0 349.862 2.471 20 70 EEIDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@](C)(O)CSC)C1 ZINC000159609347 463294862 /nfs/dbraw/zinc/29/48/62/463294862.db2.gz JEIMBBVHLSOBET-YOEHRIQHSA-N 1 0 345.553 2.300 20 70 EEIDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NCCCC(=O)OC(C)C)C1 ZINC000159866979 463308439 /nfs/dbraw/zinc/30/84/39/463308439.db2.gz VRJRSQCHMDHJRR-INIZCTEOSA-N 1 0 341.496 2.385 20 70 EEIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccccc1OC1CCC1 ZINC000160059182 463317432 /nfs/dbraw/zinc/31/74/32/463317432.db2.gz DDGIPCHDJFKXQR-OAHLLOKOSA-N 1 0 332.444 2.195 20 70 EEIDRO CSC[C@@H](CCO)[NH2+][C@@H](C)c1nnn(-c2ccc(F)cc2)c1C ZINC000160291791 463326596 /nfs/dbraw/zinc/32/65/96/463326596.db2.gz YTLVKZMACSUYJE-SMDDNHRTSA-N 1 0 338.452 2.479 20 70 EEIDRO C[NH2+][C@@H]1CCN(C(=O)c2ccccc2N(C)C(=O)c2cccs2)C1 ZINC000160525399 463347087 /nfs/dbraw/zinc/34/70/87/463347087.db2.gz RLVKXVZSTIODPG-CYBMUJFWSA-N 1 0 343.452 2.459 20 70 EEIDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N(CCO)Cc1ccccc1 ZINC000160791758 463372006 /nfs/dbraw/zinc/37/20/06/463372006.db2.gz QMQJSPHNGFGEKL-QGZVFWFLSA-N 1 0 331.460 2.207 20 70 EEIDRO C[NH2+][C@@H]1CCN(C(=O)C2CCN(c3nc4ccccc4s3)CC2)C1 ZINC000160803271 463372704 /nfs/dbraw/zinc/37/27/04/463372704.db2.gz NZQPWRLRRNDKKX-CQSZACIVSA-N 1 0 344.484 2.333 20 70 EEIDRO CCOC(=O)C1(C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)CCC1 ZINC000160906595 463381420 /nfs/dbraw/zinc/38/14/20/463381420.db2.gz YRNPHHIJSWWHLV-UHFFFAOYSA-N 1 0 336.407 2.107 20 70 EEIDRO CCCN(C)S(=O)(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000160970327 463387490 /nfs/dbraw/zinc/38/74/90/463387490.db2.gz QQBSQDZGYYCAAL-UHFFFAOYSA-N 1 0 331.526 2.206 20 70 EEIDRO CCC[NH+]1CCC(N(C)C(=O)c2cnn(C3CCOCC3)c2C)CC1 ZINC000160985014 463388399 /nfs/dbraw/zinc/38/83/99/463388399.db2.gz VZTCUTZDEOPANM-UHFFFAOYSA-N 1 0 348.491 2.489 20 70 EEIDRO C[C@@H](CNC(=O)N[C@@H](C)c1ccc(NC(N)=O)cc1)C[NH+]1CCCC1 ZINC000161080966 463398903 /nfs/dbraw/zinc/39/89/03/463398903.db2.gz BGLOJWURFPZNAQ-KBPBESRZSA-N 1 0 347.463 2.269 20 70 EEIDRO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cnc2c(c1)ncn2C ZINC000161111844 463400762 /nfs/dbraw/zinc/40/07/62/463400762.db2.gz DXMQDHACNKEVAS-AWEZNQCLSA-N 1 0 337.427 2.219 20 70 EEIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1nnn(-c2ccccc2Cl)c1C ZINC000161179486 463408320 /nfs/dbraw/zinc/40/83/20/463408320.db2.gz ZHNPADCFZNJWRC-LBPRGKRZSA-N 1 0 333.823 2.053 20 70 EEIDRO C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCN(C(=O)c2ccc(C)cc2)C1 ZINC000161337365 463422082 /nfs/dbraw/zinc/42/20/82/463422082.db2.gz MIKOTIIQPLJMRN-ROUUACIJSA-N 1 0 343.471 2.058 20 70 EEIDRO CC[C@@H]1Oc2cc([C@@H](C)NC(=O)[C@H]([NH3+])CC(C)C)ccc2NC1=O ZINC000161362875 463425748 /nfs/dbraw/zinc/42/57/48/463425748.db2.gz WSIBWYBQTRDIAO-KYOSRNDESA-N 1 0 333.432 2.347 20 70 EEIDRO CC(C)([NH2+]CC(=O)N1CCNC1=O)c1ccc(Cl)c(Cl)c1 ZINC000161450611 463431012 /nfs/dbraw/zinc/43/10/12/463431012.db2.gz BVSGTDVZLJEPJM-UHFFFAOYSA-N 1 0 330.215 2.370 20 70 EEIDRO CC1CC[NH+](C2CCC(NC(=O)[C@H]3CCN(C)C(=O)C3)CC2)CC1 ZINC000161479204 463433580 /nfs/dbraw/zinc/43/35/80/463433580.db2.gz ITUFMZGJTTWLMS-GTPINHCMSA-N 1 0 335.492 2.014 20 70 EEIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(OCC2CC2)cc1 ZINC000160062416 534537682 /nfs/dbraw/zinc/53/76/82/534537682.db2.gz AQMVUAZMNPIOID-QGZVFWFLSA-N 1 0 332.444 2.052 20 70 EEIDRO CC(C)CN(C)c1ccc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000160039469 527920667 /nfs/dbraw/zinc/92/06/67/527920667.db2.gz JUBKEZVSUFAFJV-IBGZPJMESA-N 1 0 347.503 2.355 20 70 EEIDRO CCC[C@@H](NC(=O)N1CCC[N@H+](CC)CC1)c1nnc2ccccn21 ZINC000159791565 528977951 /nfs/dbraw/zinc/97/79/51/528977951.db2.gz FAXUCHJEUNAERU-OAHLLOKOSA-N 1 0 344.463 2.308 20 70 EEIDRO COc1cc([C@H](C)[NH2+]Cc2ccc(N(C)C)nc2)ccc1OCCO ZINC000160829127 539524062 /nfs/dbraw/zinc/52/40/62/539524062.db2.gz KANGJSXZIAQFBN-AWEZNQCLSA-N 1 0 345.443 2.378 20 70 EEIDRO C[C@@H](c1cccnc1)N(C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000159615700 225250090 /nfs/dbraw/zinc/25/00/90/225250090.db2.gz KEHKCLROSJQUIV-LPHOPBHVSA-N 1 0 340.471 2.494 20 70 EEIDRO O=C(CCCc1c[nH]c2ccccc12)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160225547 225366022 /nfs/dbraw/zinc/36/60/22/225366022.db2.gz FWIHPBLHBSPHND-QGZVFWFLSA-N 1 0 343.471 2.454 20 70 EEIDRO Cc1nn(-c2ccccc2)c(C)c1CNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000161312593 225599880 /nfs/dbraw/zinc/59/98/80/225599880.db2.gz INRXYJBLXWATSN-IBGZPJMESA-N 1 0 326.444 2.495 20 70 EEIDRO CC[N@H+](C)CCNC(=O)Cc1cc(OC)ccc1Br ZINC000159420421 311340878 /nfs/dbraw/zinc/34/08/78/311340878.db2.gz OIXDCHLDNKKNQA-UHFFFAOYSA-N 1 0 329.238 2.068 20 70 EEIDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC(=O)C[C@@H]2C)[C@H](C)C1 ZINC000160050226 311349527 /nfs/dbraw/zinc/34/95/27/311349527.db2.gz LJHYVBBHTYLYAA-IDCNUPLLSA-N 1 0 338.492 2.245 20 70 EEIDRO Cc1ccccc1N1CCN(C(=O)C[N@@H+](C)[C@H]2CCSC2)CC1 ZINC000160225711 311351334 /nfs/dbraw/zinc/35/13/34/311351334.db2.gz OEHKZLYSJMLGII-INIZCTEOSA-N 1 0 333.501 2.081 20 70 EEIDRO COC(=O)c1csc(NC(=O)NCCC2CC[NH+](C)CC2)c1 ZINC000160741384 311358263 /nfs/dbraw/zinc/35/82/63/311358263.db2.gz MSIFZTJUXCXJFI-UHFFFAOYSA-N 1 0 325.434 2.388 20 70 EEIDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)Nc1ccnn1C[C@@H]1CCOC1 ZINC000159673373 463298533 /nfs/dbraw/zinc/29/85/33/463298533.db2.gz UNCQZUJBHIZNFT-HOTGVXAUSA-N 1 0 349.479 2.258 20 70 EEIDRO CC(C)N(C)C(=O)C1CCN(C(=O)C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)CC1 ZINC000159714289 463301170 /nfs/dbraw/zinc/30/11/70/463301170.db2.gz MFDZHQKZLQTDJS-WMZOPIPTSA-N 1 0 349.519 2.356 20 70 EEIDRO C[C@@H]1CCC[C@@](CNC(=O)c2cnc3c(c2)ncn3C)([NH+](C)C)C1 ZINC000159720536 463301344 /nfs/dbraw/zinc/30/13/44/463301344.db2.gz BZQJLQZDLHQNKA-FZKQIMNGSA-N 1 0 329.448 2.209 20 70 EEIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](C)COc2ccc(F)cc2F)CC1 ZINC000159745699 463302325 /nfs/dbraw/zinc/30/23/25/463302325.db2.gz YLMSGJVYPHDTME-ZDUSSCGKSA-N 1 0 341.402 2.469 20 70 EEIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cnn(Cc3ccccc3)c1)CC2 ZINC000160511041 463346007 /nfs/dbraw/zinc/34/60/07/463346007.db2.gz RMYPSTAYMOIXNB-KDOFPFPSSA-N 1 0 336.443 2.497 20 70 EEIDRO C[C@@H](C(=O)NCCCOCC1CCOCC1)[C@@H]([NH3+])c1ccccc1 ZINC000160580942 463353149 /nfs/dbraw/zinc/35/31/49/463353149.db2.gz OIHORXCIZJUVKN-CRAIPNDOSA-N 1 0 334.460 2.272 20 70 EEIDRO CCCNC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160618923 463355815 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CCCC[C@@H](COC)[NH2+][C@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000161460214 463432574 /nfs/dbraw/zinc/43/25/74/463432574.db2.gz IGNGPHJFSZNBPL-HIFRSBDPSA-N 1 0 328.478 2.451 20 70 EEIDRO COc1ccccc1CC(C)(C)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000159960261 534016456 /nfs/dbraw/zinc/01/64/56/534016456.db2.gz COGYSSJQWFQSNT-QGZVFWFLSA-N 1 0 348.487 2.227 20 70 EEIDRO O=C(CCc1nc(-c2ccoc2)no1)NCC[NH+]1CCCCCC1 ZINC000159652389 534490101 /nfs/dbraw/zinc/49/01/01/534490101.db2.gz ZCAOIUAPYUIPGZ-UHFFFAOYSA-N 1 0 332.404 2.254 20 70 EEIDRO O=C(CN1CCN(c2cc[nH+]cc2)CC1)NCc1ccc(Cl)cc1 ZINC000161291799 539525933 /nfs/dbraw/zinc/52/59/33/539525933.db2.gz WZAJNTVFHXSYDK-UHFFFAOYSA-N 1 0 344.846 2.173 20 70 EEIDRO O=C(CN1CCN(c2cc[nH+]cc2)CC1)NCCC1=CCCCC1 ZINC000161311936 539526722 /nfs/dbraw/zinc/52/67/22/539526722.db2.gz PWYFNLIVLNNOFR-UHFFFAOYSA-N 1 0 328.460 2.210 20 70 EEIDRO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161399056 539527203 /nfs/dbraw/zinc/52/72/03/539527203.db2.gz YAGDTXCTUWEOGB-IXDOHACOSA-N 1 0 330.476 2.097 20 70 EEIDRO CCC[N@H+](CC)CCNC(=O)NCCc1nnc(-c2ccccc2)o1 ZINC000159380147 255796040 /nfs/dbraw/zinc/79/60/40/255796040.db2.gz STVXRTJJFAVRQF-UHFFFAOYSA-N 1 0 345.447 2.310 20 70 EEIDRO COc1cc(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)cc2c1OCCO2 ZINC000160562533 533539412 /nfs/dbraw/zinc/53/94/12/533539412.db2.gz ARTIDXCTNQPDTC-OAHLLOKOSA-N 1 0 348.443 2.317 20 70 EEIDRO [NH3+]C1(CNC(=O)[C@H]2CCCN2C(=O)c2cccs2)CCCCC1 ZINC000159735314 225267511 /nfs/dbraw/zinc/26/75/11/225267511.db2.gz DCJHKUKXNFOIGN-CYBMUJFWSA-N 1 0 335.473 2.131 20 70 EEIDRO Cc1ccc(NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)cn1 ZINC000160032571 225322497 /nfs/dbraw/zinc/32/24/97/225322497.db2.gz LCPRMUIXQAKTIA-KRWDZBQOSA-N 1 0 346.475 2.201 20 70 EEIDRO CN(C)C(=O)Nc1ccc(C(=O)NCCC[NH+](C)C)c(Cl)c1 ZINC000160972671 225518217 /nfs/dbraw/zinc/51/82/17/225518217.db2.gz WYZFOBVELBCAQO-UHFFFAOYSA-N 1 0 326.828 2.115 20 70 EEIDRO CCC(CC)(C[NH2+]CC(=O)N1CCc2ccccc2C1)C(=O)OC ZINC000159682522 273601497 /nfs/dbraw/zinc/60/14/97/273601497.db2.gz DFSUCIDLGOZHIT-UHFFFAOYSA-N 1 0 332.444 2.140 20 70 EEIDRO C[NH+](C)[C@@H](CNC(=O)c1cccc2[nH]c(=O)oc21)c1ccc(F)cc1 ZINC000159657550 311344233 /nfs/dbraw/zinc/34/42/33/311344233.db2.gz LOCKCFWPVLMTEZ-HNNXBMFYSA-N 1 0 343.358 2.293 20 70 EEIDRO CC1CCC([NH+]2CCN(C(=O)C[N@H+](C)[C@H]3CCSC3)CC2)CC1 ZINC000160008397 311348759 /nfs/dbraw/zinc/34/87/59/311348759.db2.gz FJSHEFZQIJOBSH-JCYILVPMSA-N 1 0 339.549 2.147 20 70 EEIDRO COC(=O)c1cc(CNc2ccc(OC3CC[NH+](C)CC3)nc2)c[nH]1 ZINC000160166127 311350846 /nfs/dbraw/zinc/35/08/46/311350846.db2.gz KMLNURLWDJSBGB-UHFFFAOYSA-N 1 0 344.415 2.281 20 70 EEIDRO CCc1ncc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)s1 ZINC000160544822 311355645 /nfs/dbraw/zinc/35/56/45/311355645.db2.gz XSAFFBQOZBASEP-KBPBESRZSA-N 1 0 337.489 2.203 20 70 EEIDRO C[C@H]1OCCN(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)[C@H]1C ZINC000159829548 463307134 /nfs/dbraw/zinc/30/71/34/463307134.db2.gz XKGNBVVRDVIGIX-JKSUJKDBSA-N 1 0 331.460 2.254 20 70 EEIDRO COCCOC[C@H]1CC[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000159855667 463308278 /nfs/dbraw/zinc/30/82/78/463308278.db2.gz HTVSHOKOTGPCCJ-KRWDZBQOSA-N 1 0 340.508 2.256 20 70 EEIDRO CC[NH+]1CCN([C@H]2CCN(Cc3noc(C4CCCCC4)n3)C2)CC1 ZINC000160050665 463317173 /nfs/dbraw/zinc/31/71/73/463317173.db2.gz NCFDUUPJHUYORJ-KRWDZBQOSA-N 1 0 347.507 2.329 20 70 EEIDRO CC[C@H](CNC(=O)N1CCC[C@@](C)(O)C1)[N@@H+]1CCc2ccccc2C1 ZINC000160298289 463326551 /nfs/dbraw/zinc/32/65/51/463326551.db2.gz WOWIQDSRBLGIIB-UYAOXDASSA-N 1 0 345.487 2.380 20 70 EEIDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cnc2c(c1)ncn2C ZINC000160291643 463326768 /nfs/dbraw/zinc/32/67/68/463326768.db2.gz OXVBIOYWZWCUBD-OAHLLOKOSA-N 1 0 329.448 2.353 20 70 EEIDRO O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160347573 463330274 /nfs/dbraw/zinc/33/02/74/463330274.db2.gz RCRUETBCRFQAOB-SJLPKXTDSA-N 1 0 345.443 2.460 20 70 EEIDRO CC[C@H](CCO)CNC(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160370236 463332081 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O=C(NOCc1cccnc1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000161095984 463399865 /nfs/dbraw/zinc/39/98/65/463399865.db2.gz OJXATLPCWXUIHE-SFHVURJKSA-N 1 0 340.427 2.477 20 70 EEIDRO CC(=O)NC1CCC([NH2+]CCc2cnn(-c3ccccc3)c2)CC1 ZINC000161264568 463414876 /nfs/dbraw/zinc/41/48/76/463414876.db2.gz LGYMGZRTVTZSNB-UHFFFAOYSA-N 1 0 326.444 2.452 20 70 EEIDRO CC[C@H]1Oc2cc([C@H](C)NC(=O)CC3([NH3+])CCC3)ccc2NC1=O ZINC000161381625 463426712 /nfs/dbraw/zinc/42/67/12/463426712.db2.gz TUKZXAREOYSLOK-SMDDNHRTSA-N 1 0 331.416 2.245 20 70 EEIDRO Cc1cc(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)ccc1-n1cncn1 ZINC000161385966 463427931 /nfs/dbraw/zinc/42/79/31/463427931.db2.gz FNNMJTFGNRWROR-GOEBONIOSA-N 1 0 327.432 2.034 20 70 EEIDRO Cc1cc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)ccc1-n1cncn1 ZINC000161386097 463428051 /nfs/dbraw/zinc/42/80/51/463428051.db2.gz FNNMJTFGNRWROR-HOCLYGCPSA-N 1 0 327.432 2.034 20 70 EEIDRO CC1CC[NH+](C2CCC(NC(=O)[C@@H]3CCN(C)C(=O)C3)CC2)CC1 ZINC000161479093 463433292 /nfs/dbraw/zinc/43/32/92/463433292.db2.gz ITUFMZGJTTWLMS-KLAILNCOSA-N 1 0 335.492 2.014 20 70 EEIDRO CCCC[NH+]1CCC(NC(=O)NCc2cccc(N(C)C)n2)CC1 ZINC000160382168 528457633 /nfs/dbraw/zinc/45/76/33/528457633.db2.gz IQOBKMSVMSGHMS-UHFFFAOYSA-N 1 0 333.480 2.211 20 70 EEIDRO CCC(CC)(C[NH3+])C(=O)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000161169958 528648757 /nfs/dbraw/zinc/64/87/57/528648757.db2.gz TZTROGRNTRIHED-UHFFFAOYSA-N 1 0 331.460 2.173 20 70 EEIDRO CCC(CC)(C[NH3+])C(=O)NCC(=O)Nc1ccc(C)cc1Cl ZINC000161200585 528650215 /nfs/dbraw/zinc/65/02/15/528650215.db2.gz FHENJUADUPMPGP-UHFFFAOYSA-N 1 0 325.840 2.468 20 70 EEIDRO CCC(CC)(C[NH3+])C(=O)Nc1cccc(OCCn2cncn2)c1 ZINC000161273159 528651690 /nfs/dbraw/zinc/65/16/90/528651690.db2.gz SRUSUZSJTZOKSZ-UHFFFAOYSA-N 1 0 331.420 2.061 20 70 EEIDRO C[N@H+](C[C@H](O)C1CC1)[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000160821933 539523858 /nfs/dbraw/zinc/52/38/58/539523858.db2.gz JWAKKLAENAZBMS-CABCVRRESA-N 1 0 326.799 2.287 20 70 EEIDRO NC(=O)c1cc(NC(=O)N2CC[NH+](C3CCCCC3)CC2)ccc1F ZINC000161270686 539525951 /nfs/dbraw/zinc/52/59/51/539525951.db2.gz LEOONSOUEPTBCL-UHFFFAOYSA-N 1 0 348.422 2.407 20 70 EEIDRO C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161378745 539527194 /nfs/dbraw/zinc/52/71/94/539527194.db2.gz KARKMFDDCDERDM-CQSZACIVSA-N 1 0 328.391 2.370 20 70 EEIDRO O=C(CCc1nc2ccccc2s1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160201703 237234271 /nfs/dbraw/zinc/23/42/71/237234271.db2.gz PRYDNKWTEMVEDE-CQSZACIVSA-N 1 0 347.484 2.192 20 70 EEIDRO C[C@H]([NH2+]CC(=O)NCC(F)(F)F)c1cccc(N2CCCC2=O)c1 ZINC000160578563 255799497 /nfs/dbraw/zinc/79/94/97/255799497.db2.gz AOFVDHPHBSHSER-NSHDSACASA-N 1 0 343.349 2.143 20 70 EEIDRO COC(=O)COc1ccc(NC(=O)[C@H](C(C)C)[NH+](C)C)cc1Cl ZINC000161292519 533562444 /nfs/dbraw/zinc/56/24/44/533562444.db2.gz OHAXRXONJMDSKX-HNNXBMFYSA-N 1 0 342.823 2.417 20 70 EEIDRO CC(C)OC(=O)CCCNC(=O)NC[C@@H](C(C)C)[NH+]1CCCC1 ZINC000159659786 143801267 /nfs/dbraw/zinc/80/12/67/143801267.db2.gz JCZJAXIPJKRHSG-HNNXBMFYSA-N 1 0 327.469 2.138 20 70 EEIDRO CCN(Cc1ccccc1)C(=O)C[NH2+]C1CCC(NC(C)=O)CC1 ZINC000161438230 159725178 /nfs/dbraw/zinc/72/51/78/159725178.db2.gz LANKKFXSJJVFGP-UHFFFAOYSA-N 1 0 331.460 2.072 20 70 EEIDRO Cc1c(CCC(=O)N(CC[NH+](C)C)Cc2ccccc2F)cnn1C ZINC000159533734 225234551 /nfs/dbraw/zinc/23/45/51/225234551.db2.gz BNEZAYVTSZQPOD-UHFFFAOYSA-N 1 0 346.450 2.391 20 70 EEIDRO COCC[N@H+](C)CCCNC(=O)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000159426991 225215061 /nfs/dbraw/zinc/21/50/61/225215061.db2.gz FOBFLGUDTPLBBS-CQSZACIVSA-N 1 0 349.258 2.111 20 70 EEIDRO Cc1cnn(-c2ccc(NC(=O)C[NH2+]C[C@H]3CCCO3)cc2F)c1 ZINC000159776124 225275759 /nfs/dbraw/zinc/27/57/59/225275759.db2.gz CZQSRJKXJJLGOB-CQSZACIVSA-N 1 0 332.379 2.027 20 70 EEIDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCC(C)(CO)CC1 ZINC000159975421 225312682 /nfs/dbraw/zinc/31/26/82/225312682.db2.gz KUMKVBSWSBNNSZ-AEFFLSMTSA-N 1 0 345.487 2.311 20 70 EEIDRO O=C(CSc1ccccc1Cl)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160314524 225387304 /nfs/dbraw/zinc/38/73/04/225387304.db2.gz GHZRUROKRYYLKF-CYBMUJFWSA-N 1 0 342.892 2.395 20 70 EEIDRO O=S(=O)(c1c(F)cccc1F)N1CCC([NH2+]CC2CC2)CC1 ZINC000160152176 225349307 /nfs/dbraw/zinc/34/93/07/225349307.db2.gz MISCZRNYVSSVSM-UHFFFAOYSA-N 1 0 330.400 2.118 20 70 EEIDRO Cc1ccc(N2CC[C@@H]([NH+]3CCC(C4OCCO4)CC3)C2=O)cc1 ZINC000160176262 225354399 /nfs/dbraw/zinc/35/43/99/225354399.db2.gz ZKDSKTJHHTXNAP-QGZVFWFLSA-N 1 0 330.428 2.185 20 70 EEIDRO C[C@@H]1CCC[N@H+](CCNC(=O)c2cccc(NC(=O)N(C)C)c2)C1 ZINC000159904948 533686766 /nfs/dbraw/zinc/68/67/66/533686766.db2.gz YETLCZNTPHRCRJ-CQSZACIVSA-N 1 0 332.448 2.242 20 70 EEIDRO Cc1cc(OCC(=O)NC[C@@H](O)C[NH+]2CCCCC2)ccc1C(C)C ZINC000160338482 273985322 /nfs/dbraw/zinc/98/53/22/273985322.db2.gz XWQIZSFUMDGVHV-QGZVFWFLSA-N 1 0 348.487 2.460 20 70 EEIDRO COc1ccccc1[C@@H](C[NH2+]C1CCC(NC(C)=O)CC1)N(C)C ZINC000161218250 295384207 /nfs/dbraw/zinc/38/42/07/295384207.db2.gz QQIGUZIRIKGEPX-LEOMRAHMSA-N 1 0 333.476 2.335 20 70 EEIDRO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1cnc(C2CC2)s1 ZINC000159454238 311341434 /nfs/dbraw/zinc/34/14/34/311341434.db2.gz KQMKRCYNXVMCRV-ZDUSSCGKSA-N 1 0 343.518 2.314 20 70 EEIDRO COc1ccc([C@H](NC(=O)C[N@H+](C)C[C@H]2CCC[C@@H]2O)C2CC2)cc1 ZINC000159694232 311344865 /nfs/dbraw/zinc/34/48/65/311344865.db2.gz WPKOEYVXJVCCBA-IMFGXOCKSA-N 1 0 346.471 2.355 20 70 EEIDRO CN(CC1CC[NH+](CC2(O)CCOCC2)CC1)C(=O)OC(C)(C)C ZINC000159849673 311346900 /nfs/dbraw/zinc/34/69/00/311346900.db2.gz XDYLNRKDCMZFAH-UHFFFAOYSA-N 1 0 342.480 2.107 20 70 EEIDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)N(C)CCC(=O)OC(C)(C)C ZINC000160302859 311352772 /nfs/dbraw/zinc/35/27/72/311352772.db2.gz LNKBBHOCIUYPNE-AWEZNQCLSA-N 1 0 327.469 2.234 20 70 EEIDRO CCOC(=O)NCCCC(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000160412217 311354039 /nfs/dbraw/zinc/35/40/39/311354039.db2.gz RMPWPUWXAHVLQE-WMLDXEAASA-N 1 0 327.469 2.139 20 70 EEIDRO C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+][C@@H](C)Cn1cncn1 ZINC000160484032 311354828 /nfs/dbraw/zinc/35/48/28/311354828.db2.gz MISRCAQXNVKFKB-QLFBSQMISA-N 1 0 337.468 2.434 20 70 EEIDRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000161074084 311361747 /nfs/dbraw/zinc/36/17/47/311361747.db2.gz LZCQQTHOIMISEA-BNOWGMLFSA-N 1 0 329.286 2.497 20 70 EEIDRO CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)NCC1([NH3+])CCCCC1 ZINC000159555435 463293137 /nfs/dbraw/zinc/29/31/37/463293137.db2.gz MJAAFTOLPUIXMI-MRXNPFEDSA-N 1 0 349.450 2.358 20 70 EEIDRO CCC(CC)(CNC(=O)NC[C@@H](C)C[NH+]1CCCCC1)C(=O)OC ZINC000159686914 463299495 /nfs/dbraw/zinc/29/94/95/463299495.db2.gz AUADDKBEAVSCSV-OAHLLOKOSA-N 1 0 341.496 2.387 20 70 EEIDRO O=C(CSC[C@H]1CCCCO1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159840739 463306807 /nfs/dbraw/zinc/30/68/07/463306807.db2.gz DAVUMVSTTCLPMO-MRXNPFEDSA-N 1 0 326.506 2.279 20 70 EEIDRO CCN(CC)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2c(C)c[nH]c2=O)cc1 ZINC000159880406 463309557 /nfs/dbraw/zinc/30/95/57/463309557.db2.gz QTOOKOXSJBPPRR-LSDHHAIUSA-N 1 0 344.459 2.382 20 70 EEIDRO CCOc1c(Br)cc(C(=O)NCC(C)(C)[NH3+])cc1OC ZINC000159927200 463310820 /nfs/dbraw/zinc/31/08/20/463310820.db2.gz RNOXNUUXBYEWQD-UHFFFAOYSA-N 1 0 345.237 2.324 20 70 EEIDRO COCCC[N@H+](C)CCNC(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000160003154 463314042 /nfs/dbraw/zinc/31/40/42/463314042.db2.gz XQACBGXOEIDGPG-UHFFFAOYSA-N 1 0 342.867 2.420 20 70 EEIDRO Cc1ccc(C)c(C(=O)CCC(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000160408108 463336015 /nfs/dbraw/zinc/33/60/15/463336015.db2.gz NTHAUYZEGOUVCS-QGZVFWFLSA-N 1 0 346.471 2.229 20 70 EEIDRO COc1cc(C)c([C@H](C)[NH2+]CC(=O)NCC(F)(F)F)cc1OC ZINC000160533161 463348455 /nfs/dbraw/zinc/34/84/55/463348455.db2.gz VIHDZRIZIRHMDR-JTQLQIEISA-N 1 0 334.338 2.341 20 70 EEIDRO O=C(NCC1CC[NH+](CCO)CC1)c1cccc(Cl)c1Cl ZINC000160580889 463352960 /nfs/dbraw/zinc/35/29/60/463352960.db2.gz ALWPHPPJICFWHX-UHFFFAOYSA-N 1 0 331.243 2.428 20 70 EEIDRO CC(C)CC(=O)NCCC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000160635575 463357253 /nfs/dbraw/zinc/35/72/53/463357253.db2.gz WCBUAPAHVQWBSB-INIZCTEOSA-N 1 0 325.497 2.167 20 70 EEIDRO COCCCN(Cc1ccncc1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160631045 463357913 /nfs/dbraw/zinc/35/79/13/463357913.db2.gz GGOANJNGIKIYRA-GOSISDBHSA-N 1 0 346.475 2.114 20 70 EEIDRO Cc1ccc(C)c(C(=O)CCC(=O)NCC2CC[NH+](CCO)CC2)c1 ZINC000160699409 463363396 /nfs/dbraw/zinc/36/33/96/463363396.db2.gz UCFVSODFZNXMCX-UHFFFAOYSA-N 1 0 346.471 2.087 20 70 EEIDRO CC[C@H](O)CCNC(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000160757162 463368584 /nfs/dbraw/zinc/36/85/84/463368584.db2.gz PUVDMHVQMNKQEJ-FUHWJXTLSA-N 1 0 349.475 2.292 20 70 EEIDRO COC(=O)CC[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160767707 463369693 /nfs/dbraw/zinc/36/96/93/463369693.db2.gz FFLXTSKXGYDGRZ-PBWFPOADSA-N 1 0 326.437 2.412 20 70 EEIDRO COC(=O)[C@H]1CCCN(C(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)C1 ZINC000160905698 463381322 /nfs/dbraw/zinc/38/13/22/463381322.db2.gz WMZUBSPZBKFSED-JKSUJKDBSA-N 1 0 339.480 2.092 20 70 EEIDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000160956334 463384729 /nfs/dbraw/zinc/38/47/29/463384729.db2.gz BBMVREQWXAWSQV-NXOAAHMSSA-N 1 0 335.492 2.460 20 70 EEIDRO COC(=O)N(C)Cc1ccc(NC(=O)[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000160950484 463385169 /nfs/dbraw/zinc/38/51/69/463385169.db2.gz PDJBKWHFDCMYPN-KRWDZBQOSA-N 1 0 341.411 2.393 20 70 EEIDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)s1 ZINC000160949876 463385475 /nfs/dbraw/zinc/38/54/75/463385475.db2.gz SFWPTJVRVIECFS-GFCCVEGCSA-N 1 0 331.441 2.122 20 70 EEIDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@H](n2cncn2)C1 ZINC000161027869 463393461 /nfs/dbraw/zinc/39/34/61/463393461.db2.gz MJBSUCVSXQABQK-SJORKVTESA-N 1 0 348.495 2.135 20 70 EEIDRO CCCCN(CCO)C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000161171556 463406290 /nfs/dbraw/zinc/40/62/90/463406290.db2.gz MFFAQLOEPHHDBP-INIZCTEOSA-N 1 0 348.491 2.411 20 70 EEIDRO CCCC[N@H+](C)CC1CCN(C(=O)C(=O)Nc2ccc(C)nc2)CC1 ZINC000161222574 463412000 /nfs/dbraw/zinc/41/20/00/463412000.db2.gz ZLHPCKWXGMNPOT-UHFFFAOYSA-N 1 0 346.475 2.299 20 70 EEIDRO Cc1cc(-n2cncn2)ccc1C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000161267129 463414912 /nfs/dbraw/zinc/41/49/12/463414912.db2.gz TZHUAKLZXNDLHC-WMLDXEAASA-N 1 0 327.432 2.034 20 70 EEIDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NC[C@@H](O)C(C)(C)C)CC1 ZINC000161318743 463419369 /nfs/dbraw/zinc/41/93/69/463419369.db2.gz HBQUQYUPYAMPRS-RHSMWYFYSA-N 1 0 348.491 2.313 20 70 EEIDRO CCC(CC)n1nccc1C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000161374655 463426687 /nfs/dbraw/zinc/42/66/87/463426687.db2.gz CYFGHYMGVONNOM-GJZGRUSLSA-N 1 0 336.480 2.473 20 70 EEIDRO O=C(/C=C/c1cc2ccccc2o1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160075139 534773274 /nfs/dbraw/zinc/77/32/74/534773274.db2.gz PMOQSMSBHBARNC-FDMDGMSGSA-N 1 0 328.412 2.409 20 70 EEIDRO CC(C)c1ccc(OCC(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000160000521 528118820 /nfs/dbraw/zinc/11/88/20/528118820.db2.gz VPVZCTBPVYQBJU-QGZVFWFLSA-N 1 0 334.460 2.152 20 70 EEIDRO CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@@H]1CCCCNC1=O ZINC000160081286 528348221 /nfs/dbraw/zinc/34/82/21/528348221.db2.gz YLDCKPBSIMRNNJ-QGZVFWFLSA-N 1 0 330.476 2.289 20 70 EEIDRO CC[NH+]1CCN(CCCNC(=O)c2cc(F)cc3cccnc32)CC1 ZINC000160363189 529144454 /nfs/dbraw/zinc/14/44/54/529144454.db2.gz SKAFKLDWUZFNSI-UHFFFAOYSA-N 1 0 344.434 2.131 20 70 EEIDRO C[C@@H]1CCC[C@H](NC(=O)CN2CCN(c3cc[nH+]cc3)CC2)[C@@H]1C ZINC000161289705 539525819 /nfs/dbraw/zinc/52/58/19/539525819.db2.gz SFEMRQMRIMJYTI-NUJGCVRESA-N 1 0 330.476 2.145 20 70 EEIDRO CC[C@H]1CCCCN1C(=O)[C@H](C)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161326569 539527397 /nfs/dbraw/zinc/52/73/97/539527397.db2.gz JHXMFMQQHOASKK-IRXDYDNUSA-N 1 0 330.476 2.383 20 70 EEIDRO Cc1cccc(CSCC(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000160034260 237230160 /nfs/dbraw/zinc/23/01/60/237230160.db2.gz CIEJNJPVLOSZLF-QGZVFWFLSA-N 1 0 336.501 2.191 20 70 EEIDRO Cc1cccc2c(CCC(=O)NC[C@@H](O)C[NH+]3CCCCC3)c[nH]c21 ZINC000160290460 237235053 /nfs/dbraw/zinc/23/50/53/237235053.db2.gz FCEOZYHBYVQASK-QGZVFWFLSA-N 1 0 343.471 2.372 20 70 EEIDRO C[C@H](Oc1cccc(Cl)c1)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160125248 225343379 /nfs/dbraw/zinc/34/33/79/225343379.db2.gz YTFYDEPKVIAFPX-DZGCQCFKSA-N 1 0 340.851 2.070 20 70 EEIDRO C[C@H](CNC(=O)Nc1ccnn1C[C@H]1CCOC1)[NH+]1CCC(C)CC1 ZINC000159400410 311341015 /nfs/dbraw/zinc/34/10/15/311341015.db2.gz NEXKYTOMFQZRCU-HZPDHXFCSA-N 1 0 349.479 2.162 20 70 EEIDRO CC[NH+](CC)CCN(CC(C)C)C(=O)c1ccc2[nH]c(=O)n(C)c2c1 ZINC000159602999 311343511 /nfs/dbraw/zinc/34/35/11/311343511.db2.gz IWMBUWZTJGXTTC-UHFFFAOYSA-N 1 0 346.475 2.307 20 70 EEIDRO CC(=O)CCC(C)(C)C(=O)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000160496481 311354748 /nfs/dbraw/zinc/35/47/48/311354748.db2.gz UYJNHFCKUYZFQE-ROUUACIJSA-N 1 0 346.471 2.133 20 70 EEIDRO C[C@H](CNC(=O)N1CCC(CCC[NH+](C)C)CC1)Cn1cccn1 ZINC000160830691 311359111 /nfs/dbraw/zinc/35/91/11/311359111.db2.gz GOYQZPHXNNJOTI-MRXNPFEDSA-N 1 0 335.496 2.283 20 70 EEIDRO O=S(=O)(CC[NH2+]Cc1cc(F)cc(F)c1)NCc1ccccc1 ZINC000161050497 311361477 /nfs/dbraw/zinc/36/14/77/311361477.db2.gz PSUKMFKPSLBCDG-UHFFFAOYSA-N 1 0 340.395 2.174 20 70 EEIDRO C[C@H](CNC(=O)N(C)C[C@@H]1CCC[C@@H]1O)[N@H+](C)Cc1ccccc1 ZINC000161120118 311362437 /nfs/dbraw/zinc/36/24/37/311362437.db2.gz MVKKAUFQWFGLNU-NJAFHUGGSA-N 1 0 333.476 2.309 20 70 EEIDRO C[C@H](NC(=O)Nc1ccnn1C[C@H]1CCOC1)C(C)(C)C[NH+](C)C ZINC000159907026 463310697 /nfs/dbraw/zinc/31/06/97/463310697.db2.gz YTYSRHWYFHTWBV-UONOGXRCSA-N 1 0 337.468 2.017 20 70 EEIDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCC[C@@H]1C(C)(C)O ZINC000159945919 463311637 /nfs/dbraw/zinc/31/16/37/463311637.db2.gz MTQBBZFBPSFEII-BPQIPLTHSA-N 1 0 345.487 2.452 20 70 EEIDRO CC[C@@H]1COCCN1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000159971043 463313341 /nfs/dbraw/zinc/31/33/41/463313341.db2.gz ZUAZZVYBIGJGCD-CGTJXYLNSA-N 1 0 331.460 2.327 20 70 EEIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cc(-c2ccc(F)cc2)on1 ZINC000160129968 463320310 /nfs/dbraw/zinc/32/03/10/463320310.db2.gz IYAVLZPQIHHOIP-OAHLLOKOSA-N 1 0 347.390 2.057 20 70 EEIDRO CC[C@H](C(=O)N1CCC(C(=O)Nc2ccc(F)cc2)CC1)[NH+](C)C ZINC000160429438 463338593 /nfs/dbraw/zinc/33/85/93/463338593.db2.gz SMESHNBRVDUXGY-MRXNPFEDSA-N 1 0 335.423 2.343 20 70 EEIDRO CC[NH+](CC)[C@H](CNC(=O)c1cnc2c(c1)ncn2C)CC(C)C ZINC000160492544 463342431 /nfs/dbraw/zinc/34/24/31/463342431.db2.gz JBWXCXFNMKJZMO-HNNXBMFYSA-N 1 0 331.464 2.455 20 70 EEIDRO O=C(Cc1cccc(F)c1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160614272 463355250 /nfs/dbraw/zinc/35/52/50/463355250.db2.gz NDZOVFQJRXBODH-QZTJIDSGSA-N 1 0 334.435 2.252 20 70 EEIDRO Cc1ccc(-c2ocnc2C(=O)NCC2CC[NH+](CCO)CC2)cc1 ZINC000160695880 463363576 /nfs/dbraw/zinc/36/35/76/463363576.db2.gz KHDBMJFTKLOAFS-UHFFFAOYSA-N 1 0 343.427 2.084 20 70 EEIDRO CCOC(=O)C1(C(=O)N2CC[NH+]([C@H]3C[C@H]4CC[C@@H]3C4)CC2)CCC1 ZINC000160783213 463370256 /nfs/dbraw/zinc/37/02/56/463370256.db2.gz SEEVJVFWNBIRPM-XHSDSOJGSA-N 1 0 334.460 2.053 20 70 EEIDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCc2cccc(N(C)C)n2)C1 ZINC000160824763 463373701 /nfs/dbraw/zinc/37/37/01/463373701.db2.gz KMHLWIQOTUSYMP-HNNXBMFYSA-N 1 0 333.480 2.067 20 70 EEIDRO CC[N@@H+]1CCCN(CC(=O)c2c[nH]c3ccc(C(=O)OC)cc23)CC1 ZINC000160840665 463376396 /nfs/dbraw/zinc/37/63/96/463376396.db2.gz FPZUUXNJKIQHTM-UHFFFAOYSA-N 1 0 343.427 2.165 20 70 EEIDRO CN(C(=O)c1cnn(C)c1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000160936302 463383704 /nfs/dbraw/zinc/38/37/04/463383704.db2.gz JKDOBVUMRIDIKJ-UHFFFAOYSA-N 1 0 328.416 2.171 20 70 EEIDRO CC(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1 ZINC000160980281 463387149 /nfs/dbraw/zinc/38/71/49/463387149.db2.gz ANGSNUBJBKDBDO-SJORKVTESA-N 1 0 331.460 2.206 20 70 EEIDRO C[C@@H](CNC(=O)C[C@@H]1CCC[NH2+]1)Oc1ccccc1Br ZINC000161144306 463404370 /nfs/dbraw/zinc/40/43/70/463404370.db2.gz ORGJDTDVVCJAGS-RYUDHWBXSA-N 1 0 341.249 2.475 20 70 EEIDRO CC(C)[C@H](C(=O)N[C@H]1CCC[C@H]([NH3+])C1)S(=O)(=O)C1CCCCC1 ZINC000161278412 463415909 /nfs/dbraw/zinc/41/59/09/463415909.db2.gz KTYXDLMJKGAZLW-OFQRWUPVSA-N 1 0 344.521 2.145 20 70 EEIDRO Cn1cc(N2CCC[C@@H]([N@@H+]3CC[C@H](Nc4ccccc4)C3)C2=O)cn1 ZINC000160282347 534739217 /nfs/dbraw/zinc/73/92/17/534739217.db2.gz IJURGPUIOYVMQL-FUHWJXTLSA-N 1 0 339.443 2.102 20 70 EEIDRO Cc1nn(CC(F)(F)F)c(C)c1CC(=O)NCC(C)(C)C[NH+](C)C ZINC000161139633 534862601 /nfs/dbraw/zinc/86/26/01/534862601.db2.gz NPVLYPPLQFJODY-UHFFFAOYSA-N 1 0 348.413 2.309 20 70 EEIDRO CC(=O)Nc1cc(C(=O)N2CCC[C@H]2C[NH3+])cc(C(F)(F)F)c1 ZINC000160265520 526911085 /nfs/dbraw/zinc/91/10/85/526911085.db2.gz YKVMXGGBSSGURX-ZDUSSCGKSA-N 1 0 329.322 2.227 20 70 EEIDRO CC(C)Oc1ccc(CCNC(=O)C[N@H+](C)C[C@H]2CCC[C@@H]2O)cc1 ZINC000159553670 528149040 /nfs/dbraw/zinc/14/90/40/528149040.db2.gz IKSMRHHGNIRFSA-MJGOQNOKSA-N 1 0 348.487 2.225 20 70 EEIDRO CCCCn1ncc(NC(=O)N2CC[NH+](C3CCOCC3)CC2)c1C ZINC000160102996 529106615 /nfs/dbraw/zinc/10/66/15/529106615.db2.gz OWEMQOUECZJWJZ-UHFFFAOYSA-N 1 0 349.479 2.320 20 70 EEIDRO CCN(C(=O)CN1CCN(c2cc[nH+]cc2)CC1)C1CCCCC1 ZINC000161302073 539526091 /nfs/dbraw/zinc/52/60/91/539526091.db2.gz CBNNQZUEUYWQHF-UHFFFAOYSA-N 1 0 330.476 2.385 20 70 EEIDRO Cc1ccc(C)c(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)c1 ZINC000159429439 533678055 /nfs/dbraw/zinc/67/80/55/533678055.db2.gz CYCPEAGIAWRROR-INIZCTEOSA-N 1 0 331.460 2.336 20 70 EEIDRO C[C@H]([NH2+][C@H]1CCCSC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000159520494 225233162 /nfs/dbraw/zinc/23/31/62/225233162.db2.gz JWMWHFDVBGBHIT-JSGCOSHPSA-N 1 0 328.503 2.483 20 70 EEIDRO CCC(CC)n1ncc(C(=O)NCCCC[NH+]2CCOCC2)c1C ZINC000159493919 311342176 /nfs/dbraw/zinc/34/21/76/311342176.db2.gz WFYALXWYCJQKDP-UHFFFAOYSA-N 1 0 336.480 2.395 20 70 EEIDRO COc1ccccc1[C@H](C)N(C)C(=O)C[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159688506 311344560 /nfs/dbraw/zinc/34/45/60/311344560.db2.gz QCHVSDRQLLLLLN-ZOBUZTSGSA-N 1 0 334.460 2.307 20 70 EEIDRO CC[C@@H](C(=O)NCC1CCN(C(=O)OC(C)(C)C)CC1)[NH+](C)C ZINC000159898638 311347955 /nfs/dbraw/zinc/34/79/55/311347955.db2.gz JLGSIWFAENIWBY-AWEZNQCLSA-N 1 0 327.469 2.090 20 70 EEIDRO C[NH+](C)Cc1ccc(C(=O)Nc2ccc(OCCC(N)=O)cc2)cc1 ZINC000160262487 311352232 /nfs/dbraw/zinc/35/22/32/311352232.db2.gz JGFAWGUSOPMTGD-UHFFFAOYSA-N 1 0 341.411 2.255 20 70 EEIDRO C[NH+](C)[C@H](CNC(=O)CCC(=O)NC1CCCC1)Cc1ccccc1 ZINC000160365032 311353665 /nfs/dbraw/zinc/35/36/65/311353665.db2.gz CDABFXWFGSFNHI-SFHVURJKSA-N 1 0 345.487 2.115 20 70 EEIDRO Cc1cccc2[nH]c(CNC(=O)[C@@H]3CCC[N@@H+]3C3CCOCC3)nc21 ZINC000160423493 311353891 /nfs/dbraw/zinc/35/38/91/311353891.db2.gz VTRPYBFSIWJCBF-INIZCTEOSA-N 1 0 342.443 2.131 20 70 EEIDRO COc1ccccc1[C@@H](CNC(=O)c1cc(C)ncn1)[NH+]1CCCC1 ZINC000161245959 311363854 /nfs/dbraw/zinc/36/38/54/311363854.db2.gz LXAVEUSQTAFOCQ-QGZVFWFLSA-N 1 0 340.427 2.361 20 70 EEIDRO COc1ccc(C[NH+]2CCC(CC(N)=O)CC2)cc1OC(F)F ZINC000159782737 463304869 /nfs/dbraw/zinc/30/48/69/463304869.db2.gz FKSXRQLATBUQKD-UHFFFAOYSA-N 1 0 328.359 2.384 20 70 EEIDRO Cc1c[nH]c(=O)n1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)NCC(C)C)cc1 ZINC000159860833 463307732 /nfs/dbraw/zinc/30/77/32/463307732.db2.gz QQEBHTCUZLYUFT-LSDHHAIUSA-N 1 0 344.459 2.285 20 70 EEIDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N[C@@H]1CCC[C@@]1(C)CO ZINC000159935604 463311799 /nfs/dbraw/zinc/31/17/99/463311799.db2.gz RBHDAHWNRWZBLO-QEEHTWDDSA-N 1 0 345.487 2.357 20 70 EEIDRO CCCCN(CCO)C(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160031595 463316182 /nfs/dbraw/zinc/31/61/82/463316182.db2.gz LJKBJEJRXFUHJH-AEFFLSMTSA-N 1 0 333.476 2.453 20 70 EEIDRO O=C(Cc1ccc(F)cc1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160598389 463353919 /nfs/dbraw/zinc/35/39/19/463353919.db2.gz TVDNIRNZQGQDIA-MSOLQXFVSA-N 1 0 334.435 2.252 20 70 EEIDRO C[NH+](C)Cc1cccc(C(=O)N2CCOC[C@H]2[C@@H]2CCCCC2=O)c1 ZINC000160601545 463354125 /nfs/dbraw/zinc/35/41/25/463354125.db2.gz IFJHCFYPZLOQAU-ROUUACIJSA-N 1 0 344.455 2.349 20 70 EEIDRO CC(C)[C@@H](CNC(=O)NCc1cccc(N(C)C)n1)[NH+]1CCCC1 ZINC000160816232 463373965 /nfs/dbraw/zinc/37/39/65/463373965.db2.gz PVBJGBBRXNUFNG-MRXNPFEDSA-N 1 0 333.480 2.067 20 70 EEIDRO Cc1ccc(OCc2cccc(C(=O)N3CCC[NH2+]CC3)c2)cn1 ZINC000160829873 463374859 /nfs/dbraw/zinc/37/48/59/463374859.db2.gz FSOQGPXUAMAIDN-UHFFFAOYSA-N 1 0 325.412 2.405 20 70 EEIDRO CC(=O)NC1CCC([NH2+]Cc2ccc(-n3ccnc3C)nc2)CC1 ZINC000161024464 463391995 /nfs/dbraw/zinc/39/19/95/463391995.db2.gz IDOWUIKKEZNPHN-UHFFFAOYSA-N 1 0 327.432 2.113 20 70 EEIDRO CNS(=O)(=O)c1ccc([C@H](C)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000161131180 463402491 /nfs/dbraw/zinc/40/24/91/463402491.db2.gz NWIXPNRJLPTYLR-BPUTZDHNSA-N 1 0 339.505 2.118 20 70 EEIDRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(CNC(=O)C(C)(C)C)cc2)C1 ZINC000161312116 463419158 /nfs/dbraw/zinc/41/91/58/463419158.db2.gz DMSUKLVJEWHHCM-HNNXBMFYSA-N 1 0 331.460 2.030 20 70 EEIDRO COc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCCCO3)CC2)cc1 ZINC000161404186 463429143 /nfs/dbraw/zinc/42/91/43/463429143.db2.gz SEQHKAWQBFAFKO-SFHVURJKSA-N 1 0 332.444 2.299 20 70 EEIDRO Cc1c(C(=O)NC(C)(C)c2cccc(F)c2)nnn1C1CC[NH2+]CC1 ZINC000159642242 533774077 /nfs/dbraw/zinc/77/40/77/533774077.db2.gz AZJBKDPLLJSLJO-UHFFFAOYSA-N 1 0 345.422 2.315 20 70 EEIDRO C[C@@H](CSc1ccccc1)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160020014 534196142 /nfs/dbraw/zinc/19/61/42/534196142.db2.gz WQLCDDBHDDFPCV-JKSUJKDBSA-N 1 0 336.501 2.378 20 70 EEIDRO O=S(=O)(c1ccc(Cl)nc1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160127117 534872630 /nfs/dbraw/zinc/87/26/30/534872630.db2.gz IBDHRIUTYAKQIN-ZDUSSCGKSA-N 1 0 343.880 2.374 20 70 EEIDRO CCC[C@@H]1CN(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000160148509 527777894 /nfs/dbraw/zinc/77/78/94/527777894.db2.gz QQZNWEXRSKPINX-GOSISDBHSA-N 1 0 349.475 2.338 20 70 EEIDRO CC1CC[NH+](CCCCNC(=O)c2cccc3c2oc(=O)n3C)CC1 ZINC000159406705 528236962 /nfs/dbraw/zinc/23/69/62/528236962.db2.gz MWZHKWFIOIGOHF-UHFFFAOYSA-N 1 0 345.443 2.373 20 70 EEIDRO CC[N@@H+]1CCCN(C(=O)NC2CCN(c3ccc(C)cn3)CC2)CC1 ZINC000159897795 529023813 /nfs/dbraw/zinc/02/38/13/529023813.db2.gz PQNHDFWRHAUBFF-UHFFFAOYSA-N 1 0 345.491 2.096 20 70 EEIDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1cccc3[nH]c(=O)oc31)C2 ZINC000159554331 529110746 /nfs/dbraw/zinc/11/07/46/529110746.db2.gz RRNLUUUSBASFAR-QWHCGFSZSA-N 1 0 329.400 2.208 20 70 EEIDRO CCc1ccccc1NC(=O)C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000159399347 529589854 /nfs/dbraw/zinc/58/98/54/529589854.db2.gz ZVCNMDGBJJXGFZ-HNNXBMFYSA-N 1 0 331.460 2.282 20 70 EEIDRO C[N@H+](CCNC(=O)Nc1ccn(CC(F)(F)F)n1)C1CCCC1 ZINC000160349865 529915453 /nfs/dbraw/zinc/91/54/53/529915453.db2.gz ZTGUNRMJOUJMTJ-UHFFFAOYSA-N 1 0 333.358 2.441 20 70 EEIDRO O=C(CN1CCN(c2cc[nH+]cc2)CC1)Nc1ccc(Cl)cc1 ZINC000161299753 539526325 /nfs/dbraw/zinc/52/63/25/539526325.db2.gz AYAPJYCFSQJLEP-UHFFFAOYSA-N 1 0 330.819 2.496 20 70 EEIDRO O=C(Nc1nnc(Cc2cccc(Cl)c2)s1)[C@]1(F)CC[NH2+]C1 ZINC000161394776 159724129 /nfs/dbraw/zinc/72/41/29/159724129.db2.gz SVLIQWIJGPLHTC-AWEZNQCLSA-N 1 0 340.811 2.422 20 70 EEIDRO [NH3+][C@H]1CCC[C@H](C(=O)N2CCN(Cc3ccc(Cl)cc3)C(=O)C2)C1 ZINC000159674874 225257943 /nfs/dbraw/zinc/25/79/43/225257943.db2.gz RQVWQRUEYUVACT-HOCLYGCPSA-N 1 0 349.862 2.028 20 70 EEIDRO C[NH2+]C[C@H]1CCCN1C(=O)Cn1c(CSC)nc2ccccc21 ZINC000161194615 277032245 /nfs/dbraw/zinc/03/22/45/277032245.db2.gz SBXBIJNXFCFLIF-CYBMUJFWSA-N 1 0 332.473 2.110 20 70 EEIDRO CCC(CC)(CNC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)C(=O)OC ZINC000160914219 278586796 /nfs/dbraw/zinc/58/67/96/278586796.db2.gz ZHUNUOIPCUNAMX-KBPBESRZSA-N 1 0 327.469 2.138 20 70 EEIDRO CCc1ccc([C@H](CO)NC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000159517045 311342536 /nfs/dbraw/zinc/34/25/36/311342536.db2.gz WZSQPJMKMGVDEB-SQNIBIBYSA-N 1 0 333.476 2.454 20 70 EEIDRO O=C(NCCn1cccn1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000159691229 311344625 /nfs/dbraw/zinc/34/46/25/311344625.db2.gz MKAIZAIQUCNTRI-UHFFFAOYSA-N 1 0 333.480 2.181 20 70 EEIDRO CCC(O)(CC)CNC(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160081489 311349728 /nfs/dbraw/zinc/34/97/28/311349728.db2.gz SLOPDYWHARTLOP-DOTOQJQBSA-N 1 0 333.476 2.500 20 70 EEIDRO Cc1ccccc1N1CCN(C(=O)C[N@@H+](C)[C@@H]2CCSC2)CC1 ZINC000160225573 311351432 /nfs/dbraw/zinc/35/14/32/311351432.db2.gz OEHKZLYSJMLGII-MRXNPFEDSA-N 1 0 333.501 2.081 20 70 EEIDRO COc1cccc(COCCNC(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000161245756 311363732 /nfs/dbraw/zinc/36/37/32/311363732.db2.gz WUQMUASCCVICTA-UHFFFAOYSA-N 1 0 349.475 2.384 20 70 EEIDRO CN(C[C@@H]1CCC[C@H]1O)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000161411487 311365603 /nfs/dbraw/zinc/36/56/03/311365603.db2.gz PDRZRKXGHHNYJO-DLBZAZTESA-N 1 0 325.497 2.445 20 70 EEIDRO COc1cccc(COCCNC(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000161485993 311366566 /nfs/dbraw/zinc/36/65/66/311366566.db2.gz CKVJXKRBNJEZGC-UHFFFAOYSA-N 1 0 347.459 2.138 20 70 EEIDRO O=C([C@H]1CCN(c2cccc(Cl)c2)C1=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159429957 463286286 /nfs/dbraw/zinc/28/62/86/463286286.db2.gz MDSYEEZHDMMSQC-IJEWVQPXSA-N 1 0 347.846 2.046 20 70 EEIDRO CC(C)OC(=O)CCCNC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000159512833 463290447 /nfs/dbraw/zinc/29/04/47/463290447.db2.gz JRIPSWFEVVLGSA-UHFFFAOYSA-N 1 0 327.469 2.139 20 70 EEIDRO CC[N@@H+]1CCCN(C(=O)NCCc2ccc(-n3cccn3)cc2)CC1 ZINC000159574454 463293759 /nfs/dbraw/zinc/29/37/59/463293759.db2.gz DUUCHMJKWIQRNU-UHFFFAOYSA-N 1 0 341.459 2.152 20 70 EEIDRO O=C(CSC[C@@H]1CCCCO1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159840600 463306275 /nfs/dbraw/zinc/30/62/75/463306275.db2.gz DAVUMVSTTCLPMO-INIZCTEOSA-N 1 0 326.506 2.279 20 70 EEIDRO CC(C)C[NH+]1CCN(C(=O)Nc2ccc(-c3ncn(C)n3)cc2)CC1 ZINC000160435543 463339066 /nfs/dbraw/zinc/33/90/66/463339066.db2.gz UJTCNFZXGGLHNH-UHFFFAOYSA-N 1 0 342.447 2.288 20 70 EEIDRO CC[N@@H+]1CCCN(C(=O)Nc2ccc(-c3ncn(C)n3)cc2)CC1 ZINC000160500069 463344566 /nfs/dbraw/zinc/34/45/66/463344566.db2.gz SBEXKHCVYNDNAB-UHFFFAOYSA-N 1 0 328.420 2.042 20 70 EEIDRO Cc1cccc2nc(C[NH+]3CCC(c4ccnn4C)CC3)cc(=O)n12 ZINC000160522012 463345010 /nfs/dbraw/zinc/34/50/10/463345010.db2.gz BBFFLUPYUHWWHX-UHFFFAOYSA-N 1 0 337.427 2.116 20 70 EEIDRO COCC[NH+]1CCC(Nc2ncnc3c2cnn3C(C)(C)C)CC1 ZINC000160815762 463373462 /nfs/dbraw/zinc/37/34/62/463373462.db2.gz GIZQBMLPWBDVHU-UHFFFAOYSA-N 1 0 332.452 2.104 20 70 EEIDRO C[NH2+]C[C@@H](C)C(=O)NC[C@@H](C)Oc1ccccc1Br ZINC000161142184 463404696 /nfs/dbraw/zinc/40/46/96/463404696.db2.gz AQISXMUBMGQLOI-GHMZBOCLSA-N 1 0 329.238 2.188 20 70 EEIDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)Nc1ccc(-c2ncn(C)n2)cc1 ZINC000161219215 463411429 /nfs/dbraw/zinc/41/14/29/463411429.db2.gz RJFSFLFXSQJDLL-INIZCTEOSA-N 1 0 342.447 2.286 20 70 EEIDRO CCC(=O)N[C@@H](C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C)c1ccccc1 ZINC000161349815 463424195 /nfs/dbraw/zinc/42/41/95/463424195.db2.gz WPMRVJZKNAASRH-YXJHDRRASA-N 1 0 331.460 2.099 20 70 EEIDRO CC(=O)c1c(C)[nH]c(C(=O)N[C@H]2CCN(c3ccccn3)C2)c1C ZINC000161409157 463428655 /nfs/dbraw/zinc/42/86/55/463428655.db2.gz XHRPOWCIGNTKMV-AWEZNQCLSA-N 1 0 326.400 2.238 20 70 EEIDRO CCC[C@@H]1CN(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)CCO1 ZINC000159888872 527778390 /nfs/dbraw/zinc/77/83/90/527778390.db2.gz YJOPQHMSEBGGFX-GOSISDBHSA-N 1 0 346.475 2.257 20 70 EEIDRO CC(C)CNC(=O)NC(=O)[C@@H](C)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000159882440 528046015 /nfs/dbraw/zinc/04/60/15/528046015.db2.gz YAQPBICLCCCCET-CQSZACIVSA-N 1 0 334.464 2.055 20 70 EEIDRO CC(C)S(=O)(=O)c1ccc(C(=O)NCC2([NH3+])CCCCC2)cc1 ZINC000159619826 528307552 /nfs/dbraw/zinc/30/75/52/528307552.db2.gz WSIFQAZREXQGTH-UHFFFAOYSA-N 1 0 338.473 2.260 20 70 EEIDRO CCOc1ccc(OCC(=O)N2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000159811723 528562537 /nfs/dbraw/zinc/56/25/37/528562537.db2.gz FZGACRBXBXSLER-UHFFFAOYSA-N 1 0 332.444 2.455 20 70 EEIDRO CCCOCc1ccccc1CNC(=O)C[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159792119 528593065 /nfs/dbraw/zinc/59/30/65/528593065.db2.gz BZKKRLFANSVTMX-HKUYNNGSSA-N 1 0 348.487 2.322 20 70 EEIDRO CC[C@](C)(CCO)NC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000160001263 529357676 /nfs/dbraw/zinc/35/76/76/529357676.db2.gz VUPBGBUQWAGMSH-KVSKMBFKSA-N 1 0 333.476 2.357 20 70 EEIDRO COCCN(CCCOc1ccc(F)cc1)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000159378319 536837028 /nfs/dbraw/zinc/83/70/28/536837028.db2.gz NYOHKTHIJNJTCL-OAHLLOKOSA-N 1 0 338.423 2.069 20 70 EEIDRO CCC(CC)(CNC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1)C(=O)OC ZINC000160251275 282100558 /nfs/dbraw/zinc/10/05/58/282100558.db2.gz GLUWAJBVTREABM-HNNXBMFYSA-N 1 0 341.496 2.243 20 70 EEIDRO Cc1nccc(NC(=O)NCCCC[N@@H+]2CCC[C@H]2CO)c1Cl ZINC000159998212 539519483 /nfs/dbraw/zinc/51/94/83/539519483.db2.gz ZMDWRILPAJFYFI-ZDUSSCGKSA-N 1 0 340.855 2.402 20 70 EEIDRO COc1ccc([C@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)cc1OC ZINC000160261336 225372836 /nfs/dbraw/zinc/37/28/36/225372836.db2.gz QXOZDJAPAKNOKF-HNNXBMFYSA-N 1 0 335.492 2.380 20 70 EEIDRO O=S(=O)(c1ccccc1F)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160158488 225350118 /nfs/dbraw/zinc/35/01/18/225350118.db2.gz OAKDUACXFFYGEF-AWEZNQCLSA-N 1 0 326.437 2.465 20 70 EEIDRO C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000160776539 225473230 /nfs/dbraw/zinc/47/32/30/225473230.db2.gz IZEZGRIZWSENMP-LLVKDONJSA-N 1 0 333.358 2.441 20 70 EEIDRO C[C@H](CC(=O)Nc1ccc(F)c(C(=O)N(C)C)c1)[C@H]1CCC[NH2+]C1 ZINC000160358445 533682429 /nfs/dbraw/zinc/68/24/29/533682429.db2.gz FRDKRWNYFFMRMA-OLZOCXBDSA-N 1 0 335.423 2.492 20 70 EEIDRO C[C@H](CC(=O)Nc1ccc(F)c(C(=O)N(C)C)c1)[C@@H]1CCC[NH2+]C1 ZINC000160358261 533683685 /nfs/dbraw/zinc/68/36/85/533683685.db2.gz FRDKRWNYFFMRMA-CHWSQXEVSA-N 1 0 335.423 2.492 20 70 EEIDRO COCCC[NH+]1CCC(NC(=O)c2cnn(CC(C)C)c2C)CC1 ZINC000160469578 311354322 /nfs/dbraw/zinc/35/43/22/311354322.db2.gz DOJKLSATRXCSGU-UHFFFAOYSA-N 1 0 336.480 2.078 20 70 EEIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cccc(N3CCCC3=O)c1)CC2 ZINC000160455006 311354352 /nfs/dbraw/zinc/35/43/52/311354352.db2.gz ONSXIYKHIUUBBR-CZUORRHYSA-N 1 0 339.443 2.379 20 70 EEIDRO CCN(CC(=O)N[C@H](C)c1ccccc1OC)Cc1cnn(C)c1 ZINC000161091887 311361655 /nfs/dbraw/zinc/36/16/55/311361655.db2.gz CRMNCTRVJXZFCK-CQSZACIVSA-N 1 0 330.432 2.128 20 70 EEIDRO [NH3+]C1(C(=O)N[C@@H]2C[C@H]2c2c(F)cccc2F)Cc2ccccc2C1 ZINC000159377608 463283171 /nfs/dbraw/zinc/28/31/71/463283171.db2.gz OJMAPWXXJLKSOZ-CZUORRHYSA-N 1 0 328.362 2.433 20 70 EEIDRO NC(=O)[C@@H]1CCCN1C1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000159399766 463284638 /nfs/dbraw/zinc/28/46/38/463284638.db2.gz ZIZMEEFMQTVXPH-SFHVURJKSA-N 1 0 338.455 2.149 20 70 EEIDRO O=C(c1cnn(-c2ccc(F)cc2)n1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000159392964 463284985 /nfs/dbraw/zinc/28/49/85/463284985.db2.gz LJQTXJFKWAVNJN-INIZCTEOSA-N 1 0 343.406 2.107 20 70 EEIDRO CCCCN(CCO)C(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160031199 463316159 /nfs/dbraw/zinc/31/61/59/463316159.db2.gz LJKBJEJRXFUHJH-FUHWJXTLSA-N 1 0 333.476 2.453 20 70 EEIDRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000160388409 463333714 /nfs/dbraw/zinc/33/37/14/463333714.db2.gz ZFCPWXAVJLQMLM-WMLDXEAASA-N 1 0 333.432 2.318 20 70 EEIDRO Cc1ccc(/C=C/C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)o1 ZINC000160474393 463340908 /nfs/dbraw/zinc/34/09/08/463340908.db2.gz NPUUFCRVFOGWCK-RKQNLGICSA-N 1 0 332.444 2.485 20 70 EEIDRO CCOC(=O)C1(C(=O)NCc2cccc(C[N@H+](C)CC)c2)CCC1 ZINC000160597853 463354267 /nfs/dbraw/zinc/35/42/67/463354267.db2.gz CAOZMQRXUBBCRD-UHFFFAOYSA-N 1 0 332.444 2.488 20 70 EEIDRO CC[C@@H](C)c1cc(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)on1 ZINC000160737152 463367190 /nfs/dbraw/zinc/36/71/90/463367190.db2.gz RQYAIZFDNAADLS-CQSZACIVSA-N 1 0 335.448 2.373 20 70 EEIDRO CC[NH2+]CC1CCN(C(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 ZINC000161150207 463404290 /nfs/dbraw/zinc/40/42/90/463404290.db2.gz ICZRKFQJHRCTLQ-MRXNPFEDSA-N 1 0 337.508 2.119 20 70 EEIDRO COC(=O)c1ccc(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)cc1 ZINC000161407559 463428983 /nfs/dbraw/zinc/42/89/83/463428983.db2.gz YAHMTRSNCMOLDB-INIZCTEOSA-N 1 0 340.427 2.391 20 70 EEIDRO O=C([C@@H](c1ccccc1)N1CCSCC1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159921119 534575051 /nfs/dbraw/zinc/57/50/51/534575051.db2.gz JWEOGTGLVHBWCC-FGTMMUONSA-N 1 0 345.512 2.129 20 70 EEIDRO O=C(Cc1ccc2ccccc2c1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160170167 534717386 /nfs/dbraw/zinc/71/73/86/534717386.db2.gz VOVIZEHIPKJUPD-LJQANCHMSA-N 1 0 326.440 2.345 20 70 EEIDRO O=C(NCC1CC[NH+](CCO)CC1)c1cc(F)c(Cl)cc1F ZINC000160009407 534820405 /nfs/dbraw/zinc/82/04/05/534820405.db2.gz FAKBECJMJKFOKR-UHFFFAOYSA-N 1 0 332.778 2.052 20 70 EEIDRO CC(C)([NH3+])CNC(=O)c1cnn(-c2ccccc2)c1C(F)(F)F ZINC000160014008 527254629 /nfs/dbraw/zinc/25/46/29/527254629.db2.gz LRYIKABEWIQDKI-UHFFFAOYSA-N 1 0 326.322 2.358 20 70 EEIDRO CC(C)NC(=O)c1ccc(C(=O)NC[C@H](C)C[NH+]2CCCC2)cc1 ZINC000161101623 527720100 /nfs/dbraw/zinc/72/01/00/527720100.db2.gz AUDHNNTWFFJLJE-HNNXBMFYSA-N 1 0 331.460 2.287 20 70 EEIDRO CC(C)[NH+]1CCN(C(=O)C2CCC(NC(=O)C3CCCC3)CC2)CC1 ZINC000159889257 529034418 /nfs/dbraw/zinc/03/44/18/529034418.db2.gz SPJSYMFVIGQULX-UHFFFAOYSA-N 1 0 349.519 2.404 20 70 EEIDRO Cc1nccc(NC(=O)N2CC[NH+](C3CCOCC3)CC2)c1Cl ZINC000159645869 539517923 /nfs/dbraw/zinc/51/79/23/539517923.db2.gz DVLXJLRDTDLPBA-UHFFFAOYSA-N 1 0 338.839 2.372 20 70 EEIDRO Cc1ccc(NC(=O)N[C@@H](C)[C@@H]2CN(C)CCO2)cc1OC(F)F ZINC000159796793 539518833 /nfs/dbraw/zinc/51/88/33/539518833.db2.gz IZVUQGRWOCPLKI-FZMZJTMJSA-N 1 0 343.374 2.437 20 70 EEIDRO O=C(c1n[nH]c2ccccc21)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000159568557 539517038 /nfs/dbraw/zinc/51/70/38/539517038.db2.gz HICUHKPBJNRGBG-OAHLLOKOSA-N 1 0 342.443 2.280 20 70 EEIDRO COc1cccc(COCCNC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000160593004 539522790 /nfs/dbraw/zinc/52/27/90/539522790.db2.gz BRRBDJWJJHTUEY-WBVHZDCISA-N 1 0 349.475 2.336 20 70 EEIDRO O=C(CN1CCN(c2cc[nH+]cc2)CC1)Nc1ccc(F)c(F)c1 ZINC000161294722 539525891 /nfs/dbraw/zinc/52/58/91/539525891.db2.gz FDONHYLGELMIMY-UHFFFAOYSA-N 1 0 332.354 2.121 20 70 EEIDRO COc1ccccc1NC(=O)[C@H](C)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161338322 539526969 /nfs/dbraw/zinc/52/69/69/539526969.db2.gz STVOJHBCPDGMDN-HNNXBMFYSA-N 1 0 340.427 2.239 20 70 EEIDRO C[C@@H](NC(=O)CN1CCN(c2cc[nH+]cc2)CC1)c1cccs1 ZINC000161401730 539528499 /nfs/dbraw/zinc/52/84/99/539528499.db2.gz BSHUWWLHWGBWFV-CQSZACIVSA-N 1 0 330.457 2.143 20 70 EEIDRO Cc1cc(C)cc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)c1 ZINC000159479460 225225036 /nfs/dbraw/zinc/22/50/36/225225036.db2.gz NMZMQHSOFXCVGK-INIZCTEOSA-N 1 0 331.460 2.336 20 70 EEIDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)Nc2cnn(C)c2)CC1 ZINC000159932049 225305032 /nfs/dbraw/zinc/30/50/32/225305032.db2.gz OYOMNVWMJHSEQU-ZDUSSCGKSA-N 1 0 328.420 2.162 20 70 EEIDRO CSCC[C@H]([NH3+])C(=O)N1CCc2ccc(Br)cc21 ZINC000159996482 225317315 /nfs/dbraw/zinc/31/73/15/225317315.db2.gz HAWNSAMZFWMLCW-NSHDSACASA-N 1 0 329.263 2.419 20 70 EEIDRO Cc1nn(C)c2ncc(C(=O)NCC[NH2+]C3CCCCCC3)cc12 ZINC000159650897 225255321 /nfs/dbraw/zinc/25/53/21/225255321.db2.gz NDCPTIKPKYBGAR-UHFFFAOYSA-N 1 0 329.448 2.319 20 70 EEIDRO Cc1ccc(NC(=O)CN(C)[C@H](C[NH3+])C2CC2)c(Br)c1 ZINC000160034285 225325456 /nfs/dbraw/zinc/32/54/56/225325456.db2.gz NVGXZKOFQWJSHP-CQSZACIVSA-N 1 0 340.265 2.365 20 70 EEIDRO CC[C@H](C(=O)N[C@@H](C)C(=O)Nc1cccc(N2CCCC2)c1)[NH+](C)C ZINC000159822232 311346532 /nfs/dbraw/zinc/34/65/32/311346532.db2.gz NFPPOCAZUMDUTB-WMLDXEAASA-N 1 0 346.475 2.070 20 70 EEIDRO C[C@H]1C[C@@H](NC(=O)N2C[C@@H](C)O[C@@H](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000160028363 311349210 /nfs/dbraw/zinc/34/92/10/311349210.db2.gz WRYFCNOWHZXWMK-LISAXSMJSA-N 1 0 331.460 2.468 20 70 EEIDRO Cc1cccc(OC[C@@H](O)C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)c1 ZINC000161232853 311363617 /nfs/dbraw/zinc/36/36/17/311363617.db2.gz PVDXTTWWSXRRJL-GOEBONIOSA-N 1 0 347.377 2.370 20 70 EEIDRO Cc1ccsc1[C@H]1C[C@H]1C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000161460174 311366087 /nfs/dbraw/zinc/36/60/87/311366087.db2.gz QXSVJNJURWWOGL-JKSUJKDBSA-N 1 0 335.517 2.304 20 70 EEIDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N(C)[C@@H]2CCCc3c2cnn3C)C1 ZINC000159602198 463295200 /nfs/dbraw/zinc/29/52/00/463295200.db2.gz FLFKXSNCROEPGU-NVXWUHKLSA-N 1 0 347.507 2.417 20 70 EEIDRO COCCC[N@H+](C)CCNC(=O)c1cnc(-c2ccccc2)nc1C ZINC000160007304 463314538 /nfs/dbraw/zinc/31/45/38/463314538.db2.gz AGSFKYGXEOSIAO-UHFFFAOYSA-N 1 0 342.443 2.150 20 70 EEIDRO CCC[C@@](C)(CO)NC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000160023524 463315968 /nfs/dbraw/zinc/31/59/68/463315968.db2.gz XXTNEVRRIJYWCO-WDYCEAGBSA-N 1 0 333.476 2.357 20 70 EEIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cccc(N3CCOC3=O)c1)CC2 ZINC000160431759 463338766 /nfs/dbraw/zinc/33/87/66/463338766.db2.gz ANNFBVYSJBZXGO-WFASDCNBSA-N 1 0 341.415 2.209 20 70 EEIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](NC(=O)c1ccco1)C(C)C ZINC000160512577 463345710 /nfs/dbraw/zinc/34/57/10/463345710.db2.gz XMCXYBPQCUEWEQ-WBVHZDCISA-N 1 0 349.475 2.271 20 70 EEIDRO C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN(C(=O)Nc3cccc(C)c3)C2)C1 ZINC000160570065 463350550 /nfs/dbraw/zinc/35/05/50/463350550.db2.gz HXUKSAWNRGEBBC-RDJZCZTQSA-N 1 0 344.459 2.059 20 70 EEIDRO O=C(NCC1CC[NH+](CCO)CC1)[C@H]1C[C@H]1c1ccccc1Cl ZINC000160618110 463356315 /nfs/dbraw/zinc/35/63/15/463356315.db2.gz IROWKGKHDNYVJG-HOTGVXAUSA-N 1 0 336.863 2.264 20 70 EEIDRO O=C(NCC1CC[NH+](CCO)CC1)c1cccc(C(F)(F)F)c1 ZINC000160686240 463362759 /nfs/dbraw/zinc/36/27/59/463362759.db2.gz AEDMZDNNQLDGHW-UHFFFAOYSA-N 1 0 330.350 2.140 20 70 EEIDRO C[C@H](NC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)c1ccc(NC(N)=O)cc1 ZINC000160752247 463368106 /nfs/dbraw/zinc/36/81/06/463368106.db2.gz PRZXIKHLWKAGJX-BLLLJJGKSA-N 1 0 345.447 2.022 20 70 EEIDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N1CCC(n2ccnc2)CC1 ZINC000160836969 463374961 /nfs/dbraw/zinc/37/49/61/463374961.db2.gz ILUHUOICVASCCR-OAHLLOKOSA-N 1 0 331.464 2.247 20 70 EEIDRO CCOc1ccc(NC(=O)C[NH2+]C2CCN(CC(F)F)CC2)cc1 ZINC000161043125 463394191 /nfs/dbraw/zinc/39/41/91/463394191.db2.gz ZETUJGOGEZQMMT-UHFFFAOYSA-N 1 0 341.402 2.343 20 70 EEIDRO COc1ccc(OC)c(CN2CCN(Cc3c(C)n[nH]c3C)CC2)c1 ZINC000161047064 463394625 /nfs/dbraw/zinc/39/46/25/463394625.db2.gz GTKNQUSNVLOOPW-UHFFFAOYSA-N 1 0 344.459 2.362 20 70 EEIDRO C[C@@H](CNC(=O)N1CCCN(CC(F)F)CC1)[NH+]1CCC(C)CC1 ZINC000161211765 463410484 /nfs/dbraw/zinc/41/04/84/463410484.db2.gz PHDMEEQGKPSSSB-HNNXBMFYSA-N 1 0 346.466 2.089 20 70 EEIDRO C[NH+](C)[C@H](CNC(=O)N[C@H](CCO)C(C)(C)C)Cc1ccccc1 ZINC000161259003 463413676 /nfs/dbraw/zinc/41/36/76/463413676.db2.gz WLZJVZFJHAUIAE-DLBZAZTESA-N 1 0 335.492 2.256 20 70 EEIDRO [NH3+][C@H]1CCC[C@H](NC(=O)CCSc2ccc3c(c2)OCCO3)C1 ZINC000161263760 463414423 /nfs/dbraw/zinc/41/44/23/463414423.db2.gz BIZVCIAJQZSOBF-STQMWFEESA-N 1 0 336.457 2.326 20 70 EEIDRO Cc1ccc(NC(=O)C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)cn1 ZINC000161262877 463415119 /nfs/dbraw/zinc/41/51/19/463415119.db2.gz PJTMLRHDYYMHQW-OKILXGFUSA-N 1 0 346.475 2.201 20 70 EEIDRO Cc1cc(-n2cncn2)ccc1C(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000161267221 463415190 /nfs/dbraw/zinc/41/51/90/463415190.db2.gz TZHUAKLZXNDLHC-YOEHRIQHSA-N 1 0 327.432 2.034 20 70 EEIDRO O=S(=O)(c1ccc(Cl)nc1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160127231 534872792 /nfs/dbraw/zinc/87/27/92/534872792.db2.gz IBDHRIUTYAKQIN-CYBMUJFWSA-N 1 0 343.880 2.374 20 70 EEIDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccc2[nH]c(=O)n(C)c2c1 ZINC000160082852 528116179 /nfs/dbraw/zinc/11/61/79/528116179.db2.gz WNZDHFZQBUICIY-CYBMUJFWSA-N 1 0 332.448 2.107 20 70 EEIDRO CC[N@@H+]1CCCN(C(=O)NC[C@@H](C)Oc2cccc(OC)c2)CC1 ZINC000159918051 529025748 /nfs/dbraw/zinc/02/57/48/529025748.db2.gz PJYGWEKUJNYBGP-OAHLLOKOSA-N 1 0 335.448 2.200 20 70 EEIDRO CC[C@H](C)C(=O)N1CCC[C@H](C(=O)NCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC000160255158 529632142 /nfs/dbraw/zinc/63/21/42/529632142.db2.gz OXWCJLUJOWWOBQ-ULQDDVLXSA-N 1 0 337.508 2.119 20 70 EEIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(OCc2ccccn2)cc1 ZINC000161316200 530003162 /nfs/dbraw/zinc/00/31/62/530003162.db2.gz MWAKFELOOFVSOQ-QGZVFWFLSA-N 1 0 325.412 2.485 20 70 EEIDRO O=C(CC[C@@H]1CCCCO1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160376702 539521077 /nfs/dbraw/zinc/52/10/77/539521077.db2.gz CVMAKSHOUKYUGR-KSZLIROESA-N 1 0 338.492 2.220 20 70 EEIDRO CCC[C@H]1CN(C(=O)NC[C@@H]2Cc3ccccc32)CC[N@@H+]1CCOC ZINC000160826807 539524026 /nfs/dbraw/zinc/52/40/26/539524026.db2.gz RWNPWELABOBCRL-ROUUACIJSA-N 1 0 345.487 2.469 20 70 EEIDRO O=C(CN1CCN(c2cc[nH+]cc2)CC1)N1CCCc2ccccc21 ZINC000161289086 539526290 /nfs/dbraw/zinc/52/62/90/539526290.db2.gz SUSIIEJFIFOLBG-UHFFFAOYSA-N 1 0 336.439 2.183 20 70 EEIDRO O=C(Cc1cccc(F)c1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160614398 255799184 /nfs/dbraw/zinc/79/91/84/255799184.db2.gz NDZOVFQJRXBODH-ZWKOTPCHSA-N 1 0 334.435 2.252 20 70 EEIDRO O=C(C[C@H]1COC(=O)C1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000160301017 225383046 /nfs/dbraw/zinc/38/30/46/225383046.db2.gz AAEWNOSMEVBXOS-GOSISDBHSA-N 1 0 344.455 2.107 20 70 EEIDRO Cc1cc(C(=O)N2CC[C@@H]([NH3+])C2)c2ccc(Br)cc2n1 ZINC000160278886 280333977 /nfs/dbraw/zinc/33/39/77/280333977.db2.gz ZVYDXIMGWCZFQT-LLVKDONJSA-N 1 0 334.217 2.479 20 70 EEIDRO CN(C)C(=O)CN1CCC([NH2+][C@@H]2CC(C)(C)Cc3occc32)CC1 ZINC000160384893 288957081 /nfs/dbraw/zinc/95/70/81/288957081.db2.gz CJMYNXMJFADRAO-MRXNPFEDSA-N 1 0 333.476 2.435 20 70 EEIDRO C[NH+](C)Cc1ccc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000160189771 311350799 /nfs/dbraw/zinc/35/07/99/311350799.db2.gz NBWJXMGXAWLWLE-UHFFFAOYSA-N 1 0 346.452 2.082 20 70 EEIDRO CCC[N@@H+]1CC[C@H](CNC(=O)Nc2cc(C(=O)OC)cs2)C1 ZINC000160898602 311359762 /nfs/dbraw/zinc/35/97/62/311359762.db2.gz XKDVBXVEPUQHMM-LLVKDONJSA-N 1 0 325.434 2.388 20 70 EEIDRO CC[NH2+]CC1CCN(C(=O)[C@@H](C)NC(=O)/C=C/c2ccccc2)CC1 ZINC000161097280 311362466 /nfs/dbraw/zinc/36/24/66/311362466.db2.gz LCIHDFXEWCMAAR-ZNFPLGDCSA-N 1 0 343.471 2.053 20 70 EEIDRO CC(=O)NC1CCC([NH2+]Cc2cccc(Cn3ccnc3)c2)CC1 ZINC000161272257 311364304 /nfs/dbraw/zinc/36/43/04/311364304.db2.gz AVXZPGAVLLRQOI-UHFFFAOYSA-N 1 0 326.444 2.468 20 70 EEIDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N[C@H]1CC[C@@H](CO)CC1 ZINC000159994568 463314927 /nfs/dbraw/zinc/31/49/27/463314927.db2.gz ZPYDXIBITHSLOX-DSLXNQLJSA-N 1 0 345.487 2.357 20 70 EEIDRO CCOc1cccc(N2CCN(Cc3cnc4ccccn34)CC2)n1 ZINC000160216721 463323252 /nfs/dbraw/zinc/32/32/52/463323252.db2.gz ZGXYDEVMWPAAMO-UHFFFAOYSA-N 1 0 337.427 2.450 20 70 EEIDRO CC[C@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccc2c(c1)OCCO2 ZINC000160547079 463349774 /nfs/dbraw/zinc/34/97/74/463349774.db2.gz DPODZZLBLLCMQV-NSHDSACASA-N 1 0 332.322 2.177 20 70 EEIDRO Cc1csc(N2CCC(C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)CC2)n1 ZINC000160591560 463352240 /nfs/dbraw/zinc/35/22/40/463352240.db2.gz UBJUXRKFTZFCNQ-GASCZTMLSA-N 1 0 334.489 2.021 20 70 EEIDRO Cc1cc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)nc2ccccc12 ZINC000160595202 463354209 /nfs/dbraw/zinc/35/42/09/463354209.db2.gz MWEYVVVZQBAUSV-HNNXBMFYSA-N 1 0 327.428 2.120 20 70 EEIDRO C[NH2+][C@H]1CCN(C(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)C1 ZINC000160603793 463354242 /nfs/dbraw/zinc/35/42/42/463354242.db2.gz YUGXBDRTFRLMQP-NSHDSACASA-N 1 0 338.333 2.325 20 70 EEIDRO COc1ccc(CN(C)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1O ZINC000160617379 463354805 /nfs/dbraw/zinc/35/48/05/463354805.db2.gz XPAWUJHFXVCFDV-OAHLLOKOSA-N 1 0 333.432 2.027 20 70 EEIDRO Cc1noc([C@H]2CCCN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)n1 ZINC000160759419 463367760 /nfs/dbraw/zinc/36/77/60/463367760.db2.gz GBVKPLSPCGBWEU-INIZCTEOSA-N 1 0 328.416 2.459 20 70 EEIDRO CCC[NH+](CCC)CCCC(=O)Nc1cnc(OC)c(C(N)=O)c1 ZINC000160773155 463369086 /nfs/dbraw/zinc/36/90/86/463369086.db2.gz ANVKQIJAHIVSOO-UHFFFAOYSA-N 1 0 336.436 2.030 20 70 EEIDRO Cc1cccc([C@H](C)[NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)c1C ZINC000160964690 463386343 /nfs/dbraw/zinc/38/63/43/463386343.db2.gz RFGMBMIGMGYLCS-HNNXBMFYSA-N 1 0 339.439 2.369 20 70 EEIDRO COc1ccc(OC)c(CN(CCO)CCC[NH+]2CCCCC2)c1 ZINC000161054431 463395012 /nfs/dbraw/zinc/39/50/12/463395012.db2.gz LDCKARAYCGCQLH-UHFFFAOYSA-N 1 0 336.476 2.374 20 70 EEIDRO C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(Cc2ccncc2)CC1 ZINC000161221889 463411812 /nfs/dbraw/zinc/41/18/12/463411812.db2.gz QLTLPMLWMLINQJ-OAHLLOKOSA-N 1 0 342.418 2.366 20 70 EEIDRO Cc1ccc(NC(=O)CSCC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000161378618 463427004 /nfs/dbraw/zinc/42/70/04/463427004.db2.gz OAULSMCOXLMWAO-DZGCQCFKSA-N 1 0 335.473 2.053 20 70 EEIDRO COc1ccc(C)cc1[C@@H](C)NC(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000161462275 463432443 /nfs/dbraw/zinc/43/24/43/463432443.db2.gz WTOHXDLNIGOTKX-OAHLLOKOSA-N 1 0 349.475 2.163 20 70 EEIDRO CC[C@@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)NC)c1)[C@@H]1CCOC1 ZINC000161476214 463433045 /nfs/dbraw/zinc/43/30/45/463433045.db2.gz QYPREYNCHXWALT-JGGQBBKZSA-N 1 0 326.462 2.060 20 70 EEIDRO CC(C)NC(=O)c1ccc(C(=O)N[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000160265708 527721891 /nfs/dbraw/zinc/72/18/91/527721891.db2.gz WXUVECXKIIIELN-OAHLLOKOSA-N 1 0 331.460 2.429 20 70 EEIDRO CCC(CC)(C[NH2+]CC(=O)N[C@H](C)c1cccs1)C(=O)OC ZINC000159661476 528690647 /nfs/dbraw/zinc/69/06/47/528690647.db2.gz YBAJMSSYTIBEMM-GFCCVEGCSA-N 1 0 326.462 2.494 20 70 EEIDRO CC(C)N(CC[NH+](C)C)C(=O)NCCOc1ccc(Cl)cn1 ZINC000159675001 528895090 /nfs/dbraw/zinc/89/50/90/528895090.db2.gz FYBQXHUFMYCQCV-UHFFFAOYSA-N 1 0 328.844 2.095 20 70 EEIDRO CC[N@@H+]1CCCN(C(=O)NCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000159734330 529023380 /nfs/dbraw/zinc/02/33/80/529023380.db2.gz UIXYKQXRUJKWRH-UHFFFAOYSA-N 1 0 338.839 2.016 20 70 EEIDRO C[N@@H+](CC(=O)Nc1ccccc1Br)C[C@@H]1CCC[C@@H]1O ZINC000159478865 529839086 /nfs/dbraw/zinc/83/90/86/529839086.db2.gz SSMSQCNFQQKKNC-FZMZJTMJSA-N 1 0 341.249 2.480 20 70 EEIDRO Cc1[nH]c2c(cccc2C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1C ZINC000160191011 533613291 /nfs/dbraw/zinc/61/32/91/533613291.db2.gz MTWKRIKALWVLQD-OAHLLOKOSA-N 1 0 329.444 2.361 20 70 EEIDRO Cn1ncc(NCC[NH2+]C2CCCCCC2)c(Br)c1=O ZINC000159889980 143804265 /nfs/dbraw/zinc/80/42/65/143804265.db2.gz YUWDTMBMABJMCQ-UHFFFAOYSA-N 1 0 343.269 2.267 20 70 EEIDRO COCc1ccc(C[N@@H+]2CCCC[C@H]2CCNS(C)(=O)=O)cc1 ZINC000159403088 225210781 /nfs/dbraw/zinc/21/07/81/225210781.db2.gz VDBMRVKYDHMGRH-KRWDZBQOSA-N 1 0 340.489 2.127 20 70 EEIDRO [NH3+]C1(CNC(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)CCCCC1 ZINC000159729672 225268210 /nfs/dbraw/zinc/26/82/10/225268210.db2.gz SXWAYFTXKJOLFS-KRWDZBQOSA-N 1 0 343.471 2.317 20 70 EEIDRO O=C(Cn1ccc2ccc(Cl)cc21)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000159938995 225306608 /nfs/dbraw/zinc/30/66/08/225306608.db2.gz FOCFYCOZKWYIRQ-MRXNPFEDSA-N 1 0 349.862 2.258 20 70 EEIDRO CC[C@@H](CNC(=O)N1CCC[C@@](C)(O)C1)[N@@H+]1CCc2ccccc2C1 ZINC000160298171 280142433 /nfs/dbraw/zinc/14/24/33/280142433.db2.gz WOWIQDSRBLGIIB-AZUAARDMSA-N 1 0 345.487 2.380 20 70 EEIDRO COc1ccc([C@@H](C)[NH2+]CC(=O)NC(C)C)cc1Cn1cccn1 ZINC000160983775 295206588 /nfs/dbraw/zinc/20/65/88/295206588.db2.gz DTBDWWJGIDOTKO-CQSZACIVSA-N 1 0 330.432 2.115 20 70 EEIDRO Cc1cc(C)c(CCNC(=O)C[N@H+](C)C[C@@H]2CCC[C@@H]2O)c(C)c1 ZINC000159480296 311342144 /nfs/dbraw/zinc/34/21/44/311342144.db2.gz SJECWOUVHCALMV-HKUYNNGSSA-N 1 0 332.488 2.363 20 70 EEIDRO C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000159715666 311344956 /nfs/dbraw/zinc/34/49/56/311344956.db2.gz FJSYGJRPVFFDTA-GOSISDBHSA-N 1 0 336.524 2.378 20 70 EEIDRO C[C@@H](CNC(=O)N1CCC(CCC[NH+](C)C)CC1)Cn1cccn1 ZINC000160830574 311359204 /nfs/dbraw/zinc/35/92/04/311359204.db2.gz GOYQZPHXNNJOTI-INIZCTEOSA-N 1 0 335.496 2.283 20 70 EEIDRO CCN(CC)C(=O)C[C@H](C)[NH2+]Cc1ccccc1N1CCOCC1 ZINC000161469713 311366525 /nfs/dbraw/zinc/36/65/25/311366525.db2.gz XNMCPAJXIGGSLG-INIZCTEOSA-N 1 0 333.476 2.260 20 70 EEIDRO CC(C)(C)[NH+]1CCC(NC(=O)Nc2ccnn2C[C@H]2CCOC2)CC1 ZINC000159389950 463284018 /nfs/dbraw/zinc/28/40/18/463284018.db2.gz WLYJURRZCOYZPU-CQSZACIVSA-N 1 0 349.479 2.304 20 70 EEIDRO CCOC(=O)c1ccc(N2CCC[N@H+](CCOCC3CC3)CC2)nc1 ZINC000159922838 463310678 /nfs/dbraw/zinc/31/06/78/463310678.db2.gz CSZDCRVXFNDMJU-UHFFFAOYSA-N 1 0 347.459 2.197 20 70 EEIDRO CC(C)CC[NH+]1CCC(CNC(=O)c2cnc3c(c2)ncn3C)CC1 ZINC000159951789 463311057 /nfs/dbraw/zinc/31/10/57/463311057.db2.gz GRXJUKLCHDHWFW-UHFFFAOYSA-N 1 0 343.475 2.456 20 70 EEIDRO CCC1(CC)[C@H]([NH2+][C@@H]2CCCN(c3ccn(C)n3)C2=O)C[C@H]1OC ZINC000160109352 463318512 /nfs/dbraw/zinc/31/85/12/463318512.db2.gz NJEXOZBMPTUZME-RBSFLKMASA-N 1 0 334.464 2.099 20 70 EEIDRO CO[C@@]1(C[NH2+]CCOc2cccc(Br)c2)CCOC1 ZINC000160319958 463328159 /nfs/dbraw/zinc/32/81/59/463328159.db2.gz BBKHZIUBZIOZJI-CQSZACIVSA-N 1 0 330.222 2.223 20 70 EEIDRO COc1cccc(CCC[N@@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)c1 ZINC000160390442 463333025 /nfs/dbraw/zinc/33/30/25/463333025.db2.gz XFXPROOLNRPHES-LJQANCHMSA-N 1 0 346.471 2.341 20 70 EEIDRO C[C@@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1ccc(NS(C)(=O)=O)cc1 ZINC000160540661 463347510 /nfs/dbraw/zinc/34/75/10/463347510.db2.gz ZHGCVOCXBSMWIF-XPKDYRNWSA-N 1 0 326.462 2.260 20 70 EEIDRO CC(C)(C)c1ccccc1OCC(=O)NCC1CC[NH+](CCO)CC1 ZINC000160547294 463349729 /nfs/dbraw/zinc/34/97/29/463349729.db2.gz UYMILJUZPZGWLU-UHFFFAOYSA-N 1 0 348.487 2.183 20 70 EEIDRO COC(=O)COc1ccc(NC(=O)C[N@H+](C)C(C)C)cc1Cl ZINC000161179375 463407484 /nfs/dbraw/zinc/40/74/84/463407484.db2.gz DSWYJTSIWQCYGR-UHFFFAOYSA-N 1 0 328.796 2.171 20 70 EEIDRO O=C(CCCOc1ccc2c(c1)OCO2)NC1CC[NH+](C2CC2)CC1 ZINC000161240113 463412548 /nfs/dbraw/zinc/41/25/48/463412548.db2.gz OLJRMFZOLOWETG-UHFFFAOYSA-N 1 0 346.427 2.317 20 70 EEIDRO CC(C)(C)[NH+]1CCC(NC(=O)c2cccc(-c3nc[nH]n3)c2)CC1 ZINC000161339060 463422263 /nfs/dbraw/zinc/42/22/63/463422263.db2.gz QNXNIXJQJMECFE-UHFFFAOYSA-N 1 0 327.432 2.464 20 70 EEIDRO CC(C)([NH2+]CCN1C(=O)CNC1=O)c1ccc(Cl)c(Cl)c1 ZINC000161452066 463431188 /nfs/dbraw/zinc/43/11/88/463431188.db2.gz LVXWHGINIRNPJH-UHFFFAOYSA-N 1 0 330.215 2.370 20 70 EEIDRO O=C(NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1cccc(F)c1F ZINC000159374680 534625902 /nfs/dbraw/zinc/62/59/02/534625902.db2.gz OUPZULMXKUGWIZ-HNNXBMFYSA-N 1 0 346.377 2.114 20 70 EEIDRO CC[N@@H+]1CCCN(C(=O)NC[C@@H](C)Oc2ccc(OC)cc2)CC1 ZINC000159922538 529025683 /nfs/dbraw/zinc/02/56/83/529025683.db2.gz UKDWTZBRERWAGM-OAHLLOKOSA-N 1 0 335.448 2.200 20 70 EEIDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NCCCC(=O)OC(C)C)C1 ZINC000159866845 535083592 /nfs/dbraw/zinc/08/35/92/535083592.db2.gz VRJRSQCHMDHJRR-MRXNPFEDSA-N 1 0 341.496 2.385 20 70 EEIDRO CC[C@H](C)C(=O)N1CCC[C@H](C(=O)NCC[NH+]2CCC(C)CC2)C1 ZINC000160232393 529632486 /nfs/dbraw/zinc/63/24/86/529632486.db2.gz PFDVETMMTPTAKY-IRXDYDNUSA-N 1 0 337.508 2.119 20 70 EEIDRO C[C@@H](NC(=O)N(C)[C@H]1CCCc2c1cnn2C)C(C)(C)C[NH+](C)C ZINC000159533725 143799741 /nfs/dbraw/zinc/79/97/41/143799741.db2.gz HXUPHRBLDXSTLW-HIFRSBDPSA-N 1 0 335.496 2.415 20 70 EEIDRO Cc1ccc2c(c1)[C@H](NC(=O)[C@@H]([NH2+]C1CCOCC1)C(C)C)CO2 ZINC000160128391 143807528 /nfs/dbraw/zinc/80/75/28/143807528.db2.gz UKCVUMFAKBXRFT-AEFFLSMTSA-N 1 0 332.444 2.338 20 70 EEIDRO O=C(C[NH2+]C[C@H]1CCCO1)Nc1ccc(OCC2CCOCC2)cc1 ZINC000159413730 225211417 /nfs/dbraw/zinc/21/14/17/225211417.db2.gz CVKPRPGAVJZXSA-GOSISDBHSA-N 1 0 348.443 2.199 20 70 EEIDRO COc1cc([C@@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)cc(OC)c1OC ZINC000160414862 277388255 /nfs/dbraw/zinc/38/82/55/277388255.db2.gz VUFPNLRIGKDBFO-BXUZGUMPSA-N 1 0 346.431 2.278 20 70 EEIDRO c1ccc([C@H](C[NH2+]C2CCC3(CC2)OCCO3)N2CCOCC2)cc1 ZINC000161250898 304856089 /nfs/dbraw/zinc/85/60/89/304856089.db2.gz JSLCZTYZOBEHKG-IBGZPJMESA-N 1 0 346.471 2.335 20 70 EEIDRO CC[N@H+](Cc1ccc(C(=O)N[C@H]2CCN(C(C)=O)C2)cc1)C1CC1 ZINC000159527570 311342475 /nfs/dbraw/zinc/34/24/75/311342475.db2.gz DNXANOBSDOKIBH-KRWDZBQOSA-N 1 0 329.444 2.022 20 70 EEIDRO CC(C)[C@H](CNC(=O)CS(=O)(=O)C(C)(C)C)[NH+]1CCC(C)CC1 ZINC000160318208 311353269 /nfs/dbraw/zinc/35/32/69/311353269.db2.gz CNIAZXKGVQYNEN-HNNXBMFYSA-N 1 0 346.537 2.072 20 70 EEIDRO C[NH+](C)[C@H](CNC(=O)c1cccc(-n2ccnn2)c1)Cc1ccccc1 ZINC000160363415 311353616 /nfs/dbraw/zinc/35/36/16/311353616.db2.gz UNOSXXXZGRGZNH-IBGZPJMESA-N 1 0 349.438 2.170 20 70 EEIDRO CCc1nc(C)c([C@@H](C)[NH2+]C2CCN(CC(=O)N(C)C)CC2)s1 ZINC000160367089 463332002 /nfs/dbraw/zinc/33/20/02/463332002.db2.gz PYGQYIRIAHBHSO-GFCCVEGCSA-N 1 0 338.521 2.217 20 70 EEIDRO Cc1nc2ccccn2c1C[N@H+](CCO)CCOCC(F)(F)F ZINC000160390343 463333457 /nfs/dbraw/zinc/33/34/57/463333457.db2.gz XCEDQJYSPBOIMW-UHFFFAOYSA-N 1 0 331.338 2.016 20 70 EEIDRO Cc1c(/C=C/C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)cnn1C ZINC000160482084 463342400 /nfs/dbraw/zinc/34/24/00/463342400.db2.gz CAGPSNFYPBAZQJ-PYUISTEWSA-N 1 0 330.407 2.300 20 70 EEIDRO COC(=O)c1[nH]c(C)c(C(=O)N2CCC(CC[NH+](C)C)CC2)c1C ZINC000160497225 463343870 /nfs/dbraw/zinc/34/38/70/463343870.db2.gz GTTWQPPCBMHFLC-UHFFFAOYSA-N 1 0 335.448 2.222 20 70 EEIDRO CC1CC[NH+](CCNC(=O)Nc2ccn(CC(F)(F)F)n2)CC1 ZINC000160576852 463351129 /nfs/dbraw/zinc/35/11/29/463351129.db2.gz PXZVQOBFJPMQAH-UHFFFAOYSA-N 1 0 333.358 2.299 20 70 EEIDRO O=C(CCc1ccc(Cl)s1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160640444 463357484 /nfs/dbraw/zinc/35/74/84/463357484.db2.gz FNVIQRAXPPCNII-GFCCVEGCSA-N 1 0 330.881 2.297 20 70 EEIDRO CN1CCc2ccc(NC(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2C1=O ZINC000160796341 463371976 /nfs/dbraw/zinc/37/19/76/463371976.db2.gz RUIGJPMGJGWVHS-LQDVMPOASA-N 1 0 327.428 2.174 20 70 EEIDRO COC1(C(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)CC[NH2+]CC1 ZINC000160835720 463375109 /nfs/dbraw/zinc/37/51/09/463375109.db2.gz AYCKVJPASBOJBZ-ZDUSSCGKSA-N 1 0 330.350 2.045 20 70 EEIDRO C[C@H](NC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(NC(N)=O)cc1 ZINC000161076127 463397254 /nfs/dbraw/zinc/39/72/54/463397254.db2.gz AFJWHCXJCZQVPE-QWHCGFSZSA-N 1 0 345.447 2.022 20 70 EEIDRO CC[C@](C)(O)CNC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000161190541 463408756 /nfs/dbraw/zinc/40/87/56/463408756.db2.gz UMUPBMKTGIJYJH-KDOFPFPSSA-N 1 0 334.464 2.067 20 70 EEIDRO CCC(CC)(C[NH3+])C(=O)N(C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000161226969 463411848 /nfs/dbraw/zinc/41/18/48/463411848.db2.gz KQNSDNIRLNSRAW-HNNXBMFYSA-N 1 0 335.423 2.155 20 70 EEIDRO CC(=O)NC1CCC([NH2+][C@@H](CN2CCOCC2)c2ccccc2)CC1 ZINC000161237406 463413160 /nfs/dbraw/zinc/41/31/60/463413160.db2.gz YPEFKLBOELEKGX-MHJFOBGBSA-N 1 0 345.487 2.097 20 70 EEIDRO CCC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(-c3ncn(C)n3)cc2)C1 ZINC000161260694 463413546 /nfs/dbraw/zinc/41/35/46/463413546.db2.gz NDSWFRFSHGTVDE-CQSZACIVSA-N 1 0 342.447 2.336 20 70 EEIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2ccc(OCC(F)(F)C(F)F)nc2)C1 ZINC000161284444 463415896 /nfs/dbraw/zinc/41/58/96/463415896.db2.gz NDGLTBZGQXGUIC-QWRGUYRKSA-N 1 0 349.328 2.361 20 70 EEIDRO Cc1cccc(C(=O)N[C@H](C(=O)N[C@H]2CCC[C@H]([NH3+])C2)C(C)C)c1 ZINC000161382361 463426861 /nfs/dbraw/zinc/42/68/61/463426861.db2.gz QGBHSTLNGJQSGO-ULQDDVLXSA-N 1 0 331.460 2.136 20 70 EEIDRO C[C@@H](OCCCNC(=O)C[N@H+](C)C[C@@H]1CCC[C@@H]1O)c1ccccc1 ZINC000159865034 533877404 /nfs/dbraw/zinc/87/74/04/533877404.db2.gz RDBBHMDTWZSBOR-NEWSRXKRSA-N 1 0 348.487 2.363 20 70 EEIDRO C/C(=C\c1ccccc1Cl)C(=O)NCCCN1CC[NH+](C)CC1 ZINC000160192136 527536288 /nfs/dbraw/zinc/53/62/88/527536288.db2.gz MQWJOXUIRVWIAU-CCEZHUSRSA-N 1 0 335.879 2.497 20 70 EEIDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2csc(S(C)(=O)=O)c2)C1 ZINC000160287656 529024070 /nfs/dbraw/zinc/02/40/70/529024070.db2.gz JBUIULPBSXEVNV-GFCCVEGCSA-N 1 0 344.502 2.002 20 70 EEIDRO CCCCn1ncc(NC(=O)NCC[NH+]2CCC(OC)CC2)c1C ZINC000160013618 539519397 /nfs/dbraw/zinc/51/93/97/539519397.db2.gz IHXIANDTDOMUKT-UHFFFAOYSA-N 1 0 337.468 2.224 20 70 EEIDRO Cc1c(C(=O)NCC2([NH+](C)C)CCOCC2)cnn1CCC(C)C ZINC000160123924 237229634 /nfs/dbraw/zinc/22/96/34/237229634.db2.gz JQWGEZBMFPXLES-UHFFFAOYSA-N 1 0 336.480 2.078 20 70 EEIDRO Cc1nn(C)c(C)c1C[C@H](C)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159882728 143804321 /nfs/dbraw/zinc/80/43/21/143804321.db2.gz UDFZHOFZOUVAHO-ZDUSSCGKSA-N 1 0 332.492 2.206 20 70 EEIDRO Cc1ccc(Cl)c(OC[C@H](O)CN2CC[C@H](C[NH+](C)C)C2)c1 ZINC000159526258 225233600 /nfs/dbraw/zinc/23/36/00/225233600.db2.gz IRZDLIITVVYVEU-HUUCEWRRSA-N 1 0 326.868 2.272 20 70 EEIDRO C[C@@H]1C[NH+](CCCNC(=O)c2ccnc(Cl)c2F)C[C@@H](C)O1 ZINC000159535510 225234234 /nfs/dbraw/zinc/23/42/34/225234234.db2.gz ITTPOMMANQQFPL-GHMZBOCLSA-N 1 0 329.803 2.103 20 70 EEIDRO C[C@H](Oc1ccc(Cl)cc1)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160227060 225365881 /nfs/dbraw/zinc/36/58/81/225365881.db2.gz NLBCFYWTWBRIPN-DZGCQCFKSA-N 1 0 340.851 2.070 20 70 EEIDRO C[NH+](C)Cc1ccccc1CNC(=O)c1cccc(-n2ccnn2)c1 ZINC000160179444 311350921 /nfs/dbraw/zinc/35/09/21/311350921.db2.gz BFSUKQBFARPQCZ-UHFFFAOYSA-N 1 0 335.411 2.259 20 70 EEIDRO COCCN(CCCOc1ccc(F)cc1)C(=O)C1CC[NH2+]CC1 ZINC000159378004 463282782 /nfs/dbraw/zinc/28/27/82/463282782.db2.gz KMQAWMDWKSVGCC-UHFFFAOYSA-N 1 0 338.423 2.069 20 70 EEIDRO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1ccccc1OC(F)(F)F ZINC000159791490 463304916 /nfs/dbraw/zinc/30/49/16/463304916.db2.gz YRADPQCRWFASTD-JTQLQIEISA-N 1 0 340.367 2.381 20 70 EEIDRO C[C@@]1(O)CCCN(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000160323014 463328392 /nfs/dbraw/zinc/32/83/92/463328392.db2.gz FLFVFYGSDQYMGJ-IEBWSBKVSA-N 1 0 331.460 2.380 20 70 EEIDRO CC(C)OCCC[NH+]1CCN(CC(=O)NC2CCC(C)CC2)CC1 ZINC000160466596 463340835 /nfs/dbraw/zinc/34/08/35/463340835.db2.gz ZIZRYOIKEJZSGU-UHFFFAOYSA-N 1 0 339.524 2.114 20 70 EEIDRO O=C(c1cccc(OC[C@@H]2CCCO2)c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160675407 463361744 /nfs/dbraw/zinc/36/17/44/463361744.db2.gz KUJVHDAZBUEVDR-JZXOWHBKSA-N 1 0 330.428 2.211 20 70 EEIDRO C[C@H](Cc1ccccc1Cl)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160815538 463373514 /nfs/dbraw/zinc/37/35/14/463373514.db2.gz ZTDJIPGPIYBURM-GDBMZVCRSA-N 1 0 338.879 2.482 20 70 EEIDRO C[NH2+]C[C@@H](C)C(=O)NC[C@H](C)Oc1ccccc1Br ZINC000161142422 463404489 /nfs/dbraw/zinc/40/44/89/463404489.db2.gz AQISXMUBMGQLOI-MNOVXSKESA-N 1 0 329.238 2.188 20 70 EEIDRO CCN1CCCC[C@H]1C[NH2+][C@@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000161189056 463409409 /nfs/dbraw/zinc/40/94/09/463409409.db2.gz SRWCBIYBWCABIU-HOCLYGCPSA-N 1 0 339.505 2.120 20 70 EEIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)COc2ccccc2OCC(F)(F)F)C1 ZINC000161282050 463416177 /nfs/dbraw/zinc/41/61/77/463416177.db2.gz JKIVGCRALQBHTQ-NWDGAFQWSA-N 1 0 346.349 2.393 20 70 EEIDRO Cc1c(/C=C/C(=O)N2CC[NH+](CC3CCCCC3)CC2)cnn1C ZINC000161434802 463430311 /nfs/dbraw/zinc/43/03/11/463430311.db2.gz DVVOUJPAWHGKNF-CMDGGOBGSA-N 1 0 330.476 2.466 20 70 EEIDRO COc1ccc(Cl)cc1NC(=O)C[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159841732 533871077 /nfs/dbraw/zinc/87/10/77/533871077.db2.gz FXTPPGLYMNRLFO-FZMZJTMJSA-N 1 0 326.824 2.380 20 70 EEIDRO C[C@H]1C[NH+](CCCNC(=O)c2c(F)cc(F)cc2F)C[C@H](C)O1 ZINC000159417568 533939626 /nfs/dbraw/zinc/93/96/26/533939626.db2.gz JPXREHCPEZBROW-QWRGUYRKSA-N 1 0 330.350 2.333 20 70 EEIDRO C[C@@H](CNC(=O)c1ccnc(OCC(F)(F)F)c1)C[NH+]1CCCC1 ZINC000161077720 534047612 /nfs/dbraw/zinc/04/76/12/534047612.db2.gz UDEPZLKFVPRLNL-LBPRGKRZSA-N 1 0 345.365 2.484 20 70 EEIDRO O=C(NCC[NH+]1CCCCC1)Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC000160281578 534326684 /nfs/dbraw/zinc/32/66/84/534326684.db2.gz GYJLXXPYLAAACH-QGZVFWFLSA-N 1 0 333.432 2.462 20 70 EEIDRO CC(C)(C)C(=O)N1CCC(C[N@H+](CC(N)=O)Cc2ccccc2)CC1 ZINC000159641326 527568430 /nfs/dbraw/zinc/56/84/30/527568430.db2.gz CQVOXNMAXLFREK-UHFFFAOYSA-N 1 0 345.487 2.259 20 70 EEIDRO CCC(=O)N[C@H](C(=O)N1CCC([NH2+]CC2CC2)CC1)c1ccccc1 ZINC000159862233 528410911 /nfs/dbraw/zinc/41/09/11/528410911.db2.gz YCBUUXGKKXDEJR-IBGZPJMESA-N 1 0 343.471 2.245 20 70 EEIDRO CC[N@@H+]1CCCN(C(=O)NC[C@H]2CCN(c3ccccc3)C2)CC1 ZINC000159664897 529027715 /nfs/dbraw/zinc/02/77/15/529027715.db2.gz UZCSAWWINRSPCV-QGZVFWFLSA-N 1 0 330.476 2.250 20 70 EEIDRO CC[N@@H+]1CCCN(C(=O)NCc2nnc(-c3ccccc3)s2)CC1 ZINC000159985660 529028721 /nfs/dbraw/zinc/02/87/21/529028721.db2.gz VKUXJFHQLOISQY-UHFFFAOYSA-N 1 0 345.472 2.442 20 70 EEIDRO CCC(CC)(CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)C(=O)OC ZINC000160034745 282106284 /nfs/dbraw/zinc/10/62/84/282106284.db2.gz XGSJVXMIZWZKIW-CYBMUJFWSA-N 1 0 329.485 2.241 20 70 EEIDRO CC[C@H](COC)[NH2+]Cc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000159823760 529398234 /nfs/dbraw/zinc/39/82/34/529398234.db2.gz PXJTYQMACXWOCG-MRXNPFEDSA-N 1 0 340.489 2.376 20 70 EEIDRO CC[C@@H]1Oc2cc([C@@H](C)NC(=O)CC3CC[NH2+]CC3)ccc2NC1=O ZINC000161375000 529474227 /nfs/dbraw/zinc/47/42/27/529474227.db2.gz DTILBFXDDMXVFD-WBMJQRKESA-N 1 0 345.443 2.363 20 70 EEIDRO CCc1ccc([C@@H](C)CC(=O)NC[C@@H](C)N2CC[NH+](C)CC2)cc1 ZINC000160157915 529703844 /nfs/dbraw/zinc/70/38/44/529703844.db2.gz UKJOPOUCHLKCSW-DLBZAZTESA-N 1 0 331.504 2.495 20 70 EEIDRO COC1(C(=O)N[C@H](C)c2ncc(-c3ccccc3)o2)CC[NH2+]CC1 ZINC000160479177 532974942 /nfs/dbraw/zinc/97/49/42/532974942.db2.gz SYALGIXYRKRZJR-CYBMUJFWSA-N 1 0 329.400 2.287 20 70 EEIDRO COc1ccc(S(=O)(=O)NCC[NH2+]C2CCCCCC2)cc1F ZINC000160147589 533059246 /nfs/dbraw/zinc/05/92/46/533059246.db2.gz SDBOMJLHGGLCBO-UHFFFAOYSA-N 1 0 344.452 2.425 20 70 EEIDRO Cc1ccc(OCC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000160580028 255799620 /nfs/dbraw/zinc/79/96/20/255799620.db2.gz LEKWTYQAPUXVFY-RBUKOAKNSA-N 1 0 346.471 2.258 20 70 EEIDRO CCC([NH3+])(CC)CNC(=O)C[C@@H]1c2ccccc2CCN1C(C)=O ZINC000160412850 159711539 /nfs/dbraw/zinc/71/15/39/159711539.db2.gz ISURPBJZSVWHSY-QGZVFWFLSA-N 1 0 331.460 2.156 20 70 EEIDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1cnn(C)c(=O)c1Cl ZINC000160244528 225369265 /nfs/dbraw/zinc/36/92/65/225369265.db2.gz PZBUNXUKEPQMTE-DOMZBBRYSA-N 1 0 332.835 2.366 20 70 EEIDRO Cc1ccc(NC(=O)C(=O)NCCC[N@@H+](C)C2CCCCC2)cn1 ZINC000160046803 225326437 /nfs/dbraw/zinc/32/64/37/225326437.db2.gz NMFWKPYRDQERDY-UHFFFAOYSA-N 1 0 332.448 2.099 20 70 EEIDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)CC1CCOCC1 ZINC000159773455 311346041 /nfs/dbraw/zinc/34/60/41/311346041.db2.gz VNUYCDYNUQEHCT-OWCLPIDISA-N 1 0 325.497 2.421 20 70 EEIDRO CC(C)OCc1cccc(CNC(=O)C[N@H+](C)C[C@@H]2CCC[C@@H]2O)c1 ZINC000159810661 311346400 /nfs/dbraw/zinc/34/64/00/311346400.db2.gz BCABHCGFTWACRH-OALUTQOASA-N 1 0 348.487 2.321 20 70 EEIDRO CC(C)[C@@H](CNC(=O)CS(=O)(=O)C(C)(C)C)[NH+]1CCC(C)CC1 ZINC000160318336 311353148 /nfs/dbraw/zinc/35/31/48/311353148.db2.gz CNIAZXKGVQYNEN-OAHLLOKOSA-N 1 0 346.537 2.072 20 70 EEIDRO CCOC(=O)NCCCC(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000160412489 311353919 /nfs/dbraw/zinc/35/39/19/311353919.db2.gz RMPWPUWXAHVLQE-RHSMWYFYSA-N 1 0 327.469 2.139 20 70 EEIDRO C[NH+](C)Cc1ccc(C(=O)NCCC(=O)NC2CCCCC2)cc1 ZINC000160737845 311358405 /nfs/dbraw/zinc/35/84/05/311358405.db2.gz SRJOYKRRJYRQNW-UHFFFAOYSA-N 1 0 331.460 2.317 20 70 EEIDRO CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000159375659 463283081 /nfs/dbraw/zinc/28/30/81/463283081.db2.gz DXDYINFEKJBLDK-CABCVRRESA-N 1 0 335.492 2.014 20 70 EEIDRO Cc1cccc2nc(CNC(=O)NCc3ccc(O)c(F)c3)cn21 ZINC000159544638 463291230 /nfs/dbraw/zinc/29/12/30/463291230.db2.gz GKUJKKDZDZAJIS-UHFFFAOYSA-N 1 0 328.347 2.487 20 70 EEIDRO C[C@@H]1C[C@@H](NC(=O)N(C)[C@@H]2CCCc3c2cnn3C)C[N@@H+]1C1CC1 ZINC000159525817 463291380 /nfs/dbraw/zinc/29/13/80/463291380.db2.gz KVKGHVINPUREST-XJKCOSOUSA-N 1 0 331.464 2.064 20 70 EEIDRO CC(C)[NH2+]CCC(=O)N(C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000159746190 463302834 /nfs/dbraw/zinc/30/28/34/463302834.db2.gz BGFQMZWHODCMKJ-HNNXBMFYSA-N 1 0 337.851 2.292 20 70 EEIDRO CN(C)C(=O)Nc1cccc(C(=O)N2CCC([NH2+]CC3CC3)CC2)c1 ZINC000159834104 463306095 /nfs/dbraw/zinc/30/60/95/463306095.db2.gz JFMDLLUAGABAAU-UHFFFAOYSA-N 1 0 344.459 2.384 20 70 EEIDRO CC(C)C[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccnn1C[C@H]1CCOC1 ZINC000159819382 463306358 /nfs/dbraw/zinc/30/63/58/463306358.db2.gz BZERZPNXUNSDTQ-CVEARBPZSA-N 1 0 349.479 2.162 20 70 EEIDRO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2c[nH]cn2)CC[N@@H+]1Cc1ccccc1 ZINC000159990190 463314772 /nfs/dbraw/zinc/31/47/72/463314772.db2.gz WTUORWKCTXPZBX-ZBFHGGJFSA-N 1 0 348.472 2.083 20 70 EEIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(C(=O)N(C)C)c1 ZINC000160470957 463341658 /nfs/dbraw/zinc/34/16/58/463341658.db2.gz HGCRJVVYWZACNN-QGZVFWFLSA-N 1 0 331.460 2.239 20 70 EEIDRO C[NH2+][C@H]1CCN(C(=O)c2cc(C)ccc2I)C1 ZINC000160579943 463352835 /nfs/dbraw/zinc/35/28/35/463352835.db2.gz FISBNINKTMZKCG-JTQLQIEISA-N 1 0 344.196 2.034 20 70 EEIDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1c(C)[nH]c(C(=O)OC)c1C ZINC000160606067 463355010 /nfs/dbraw/zinc/35/50/10/463355010.db2.gz ASPHMIDCZBVDNF-CQSZACIVSA-N 1 0 335.448 2.412 20 70 EEIDRO COCCCN(Cc1ccncc1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000160631157 463357260 /nfs/dbraw/zinc/35/72/60/463357260.db2.gz GGOANJNGIKIYRA-SFHVURJKSA-N 1 0 346.475 2.114 20 70 EEIDRO C[NH2+][C@H]1CCN(C(=O)CCCOc2cccc(Br)c2)C1 ZINC000160642894 463358969 /nfs/dbraw/zinc/35/89/69/463358969.db2.gz YWYSBTLFZBHGNI-ZDUSSCGKSA-N 1 0 341.249 2.428 20 70 EEIDRO Cn1c2cccc(C(=O)N3CC[NH+](CCC(C)(C)C)CC3)c2oc1=O ZINC000160718803 463364455 /nfs/dbraw/zinc/36/44/55/463364455.db2.gz GWFNSEQUJRLSOD-UHFFFAOYSA-N 1 0 345.443 2.326 20 70 EEIDRO C[C@H]1CCC[C@H](C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000160757182 463368259 /nfs/dbraw/zinc/36/82/59/463368259.db2.gz UPVKYMWZCGXELY-RDJZCZTQSA-N 1 0 330.476 2.276 20 70 EEIDRO CSCC[C@@H]([NH3+])C(=O)Nc1ccc(CN(C(C)=O)C(C)C)cc1 ZINC000160956108 463385346 /nfs/dbraw/zinc/38/53/46/463385346.db2.gz MNMTXYXLGWFENF-MRXNPFEDSA-N 1 0 337.489 2.462 20 70 EEIDRO CCC(O)(CC)CNC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000161252684 463413520 /nfs/dbraw/zinc/41/35/20/463413520.db2.gz ICXJUFOAZJJQMM-OAHLLOKOSA-N 1 0 348.491 2.457 20 70 EEIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)CCSc2ccc3c(c2)OCCO3)C1 ZINC000161263911 463414505 /nfs/dbraw/zinc/41/45/05/463414505.db2.gz BIZVCIAJQZSOBF-CHWSQXEVSA-N 1 0 336.457 2.326 20 70 EEIDRO CN(C[C@@H]1CCC[C@H]1O)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000161263250 463414987 /nfs/dbraw/zinc/41/49/87/463414987.db2.gz YQHHLRVLVKWZTP-GBESFXJTSA-N 1 0 345.487 2.453 20 70 EEIDRO C[N@@H+]1CC[C@H](CNC(=O)c2ccc(C(=O)NCC(C)(C)C)cc2)C1 ZINC000161310863 463418696 /nfs/dbraw/zinc/41/86/96/463418696.db2.gz DQUZKZKCOZZUGM-CQSZACIVSA-N 1 0 331.460 2.144 20 70 EEIDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccnc(OCC(F)(F)F)c1 ZINC000161340865 463423328 /nfs/dbraw/zinc/42/33/28/463423328.db2.gz YXIXEVIQEUEHCX-LLVKDONJSA-N 1 0 343.349 2.237 20 70 EEIDRO O=C(Nc1ccn(CC(F)(F)F)n1)NC1CC[NH+](C2CC2)CC1 ZINC000160303141 534414893 /nfs/dbraw/zinc/41/48/93/534414893.db2.gz FDMGQFFFOVABSL-UHFFFAOYSA-N 1 0 331.342 2.194 20 70 EEIDRO O=S(=O)(c1cccc(F)c1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160138688 534873806 /nfs/dbraw/zinc/87/38/06/534873806.db2.gz PGTBJDNLDVKTTA-OAHLLOKOSA-N 1 0 326.437 2.465 20 70 EEIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc3c(c1)C(C)(C)C(=O)N3)CC2 ZINC000160359133 282118759 /nfs/dbraw/zinc/11/87/59/282118759.db2.gz YCTSMGYQDDHNFQ-RISCZKNCSA-N 1 0 339.443 2.482 20 70 EEIDRO C[NH2+]C[C@H]1CCCN1C(=O)CN(Cc1cccnc1)c1ccccc1 ZINC000161355629 530002272 /nfs/dbraw/zinc/00/22/72/530002272.db2.gz MNPJWQJQXZFVAT-LJQANCHMSA-N 1 0 338.455 2.299 20 70 EEIDRO CCC[C@H]1CN(C(=O)NCc2csc(C)n2)CC[N@@H+]1CCOC ZINC000160062695 539519746 /nfs/dbraw/zinc/51/97/46/539519746.db2.gz UWUXFILWLZRNLF-HNNXBMFYSA-N 1 0 340.493 2.094 20 70 EEIDRO Cc1ccc(NC(=O)N(C)C)c(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC000159938684 237228595 /nfs/dbraw/zinc/22/85/95/237228595.db2.gz GRBHREOYCSOWPQ-OKILXGFUSA-N 1 0 330.432 2.055 20 70 EEIDRO COc1ccc(OC)c2c1CN(CCC[NH+]1CCCCC1)C[C@H]2O ZINC000161276664 532996666 /nfs/dbraw/zinc/99/66/66/532996666.db2.gz MOCOCMDCBPTYIZ-MRXNPFEDSA-N 1 0 334.460 2.429 20 70 EEIDRO COC[C@H](O)C[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000160328495 533117068 /nfs/dbraw/zinc/11/70/68/533117068.db2.gz GCIIFJKDMUMXEL-LLVKDONJSA-N 1 0 325.206 2.094 20 70 EEIDRO C[C@@H](C(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1cc2ccccc2o1 ZINC000160294334 533269088 /nfs/dbraw/zinc/26/90/88/533269088.db2.gz KFCXDTPZZJRVOW-GDBMZVCRSA-N 1 0 330.428 2.499 20 70 EEIDRO COc1ccc(C(=O)NCc2cccc(C[N@H+](C)C(C)C)c2)nn1 ZINC000159693613 533335243 /nfs/dbraw/zinc/33/52/43/533335243.db2.gz MUXWQYHTMLHVAX-UHFFFAOYSA-N 1 0 328.416 2.255 20 70 EEIDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)C[C@@H]2CCC[C@@H]2O)C1 ZINC000159911146 143804743 /nfs/dbraw/zinc/80/47/43/143804743.db2.gz XRWSUFXPLWPMAG-PMPSAXMXSA-N 1 0 325.497 2.299 20 70 EEIDRO Cc1ccc(F)c(C[N@@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)c1 ZINC000159373692 225205314 /nfs/dbraw/zinc/20/53/14/225205314.db2.gz HXJDHJOYJNAHEC-OAHLLOKOSA-N 1 0 328.453 2.428 20 70 EEIDRO C[C@H](Cc1ccccc1F)C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000159688227 225260638 /nfs/dbraw/zinc/26/06/38/225260638.db2.gz FSQBOHJEFHHHQY-MRXNPFEDSA-N 1 0 335.467 2.100 20 70 EEIDRO CC[N@H+](Cc1ccc(C(=O)N[C@@H]2CCN(C(C)=O)C2)cc1)C1CC1 ZINC000159527441 311342504 /nfs/dbraw/zinc/34/25/04/311342504.db2.gz DNXANOBSDOKIBH-QGZVFWFLSA-N 1 0 329.444 2.022 20 70 EEIDRO CCC[C@](C)(CO)NC(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160180528 311350983 /nfs/dbraw/zinc/35/09/83/311350983.db2.gz HKLJNKCRKALTBR-VDZJLULYSA-N 1 0 333.476 2.500 20 70 EEIDRO C[C@@H](CNC(=O)CCNC(=O)C1CCCCC1)C[NH+]1CCCCC1 ZINC000160691769 311357552 /nfs/dbraw/zinc/35/75/52/311357552.db2.gz ODYDPLMRZRTZIH-INIZCTEOSA-N 1 0 337.508 2.311 20 70 EEIDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CNC(=O)CC1CCCC1 ZINC000161012992 311360928 /nfs/dbraw/zinc/36/09/28/311360928.db2.gz KXZORDAGMDBSKA-OWCLPIDISA-N 1 0 337.508 2.166 20 70 EEIDRO Cc1cccc(OC[C@@H](O)C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)c1 ZINC000161232599 311363804 /nfs/dbraw/zinc/36/38/04/311363804.db2.gz PVDXTTWWSXRRJL-HOCLYGCPSA-N 1 0 347.377 2.370 20 70 EEIDRO CCCc1nc(CN2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)cs1 ZINC000159396540 463284248 /nfs/dbraw/zinc/28/42/48/463284248.db2.gz WRUTVSXNWLHFNQ-OAHLLOKOSA-N 1 0 336.505 2.010 20 70 EEIDRO COCc1cc(CNC(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)ccc1F ZINC000159397259 463284767 /nfs/dbraw/zinc/28/47/67/463284767.db2.gz XBKWNBLVGVFLBO-QGZVFWFLSA-N 1 0 337.439 2.454 20 70 EEIDRO CNC(=O)Cc1ccc(NC(=O)c2ccc(C[NH+](C)C)cc2)cc1 ZINC000159608583 463295406 /nfs/dbraw/zinc/29/54/06/463295406.db2.gz QFQMHXLSVDLNCK-UHFFFAOYSA-N 1 0 325.412 2.289 20 70 EEIDRO O=C(c1ccc2c(c1)NC(=O)CS2)N1CCC([NH2+]CC2CC2)CC1 ZINC000159734485 463302205 /nfs/dbraw/zinc/30/22/05/463302205.db2.gz DJWAYJNPSMVDJR-UHFFFAOYSA-N 1 0 345.468 2.335 20 70 EEIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](C)COc2ccc(F)cc2F)CC1 ZINC000159745811 463302498 /nfs/dbraw/zinc/30/24/98/463302498.db2.gz YLMSGJVYPHDTME-CYBMUJFWSA-N 1 0 341.402 2.469 20 70 EEIDRO C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@]2(C)CCCS2)C[C@H](C)O1 ZINC000159809786 463307108 /nfs/dbraw/zinc/30/71/08/463307108.db2.gz KIUSIVZWEQXBIY-LZWOXQAQSA-N 1 0 329.510 2.071 20 70 EEIDRO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2c[nH]cn2)CC[N@@H+]1Cc1ccccc1 ZINC000159989935 463314390 /nfs/dbraw/zinc/31/43/90/463314390.db2.gz WTUORWKCTXPZBX-GDBMZVCRSA-N 1 0 348.472 2.083 20 70 EEIDRO CCOC(=O)C[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000160076522 463316657 /nfs/dbraw/zinc/31/66/57/463316657.db2.gz WUCJSDWHZKZBSD-WBVHZDCISA-N 1 0 332.444 2.357 20 70 EEIDRO Cc1noc(C)c1C[C@H](C)NC(=O)c1cccn1C1CC[NH2+]CC1 ZINC000160218776 463324343 /nfs/dbraw/zinc/32/43/43/463324343.db2.gz MZDZLBWFQYOBGW-LBPRGKRZSA-N 1 0 330.432 2.378 20 70 EEIDRO COc1ccc(OC)c(CC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)c1 ZINC000160481992 463342763 /nfs/dbraw/zinc/34/27/63/463342763.db2.gz ZBUOJNQULWXDDI-MRXNPFEDSA-N 1 0 334.460 2.483 20 70 EEIDRO COC(=O)C1CCN(C(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)CC1 ZINC000160939516 463384145 /nfs/dbraw/zinc/38/41/45/463384145.db2.gz GLFSFDPVDVSWSO-MRXNPFEDSA-N 1 0 339.480 2.092 20 70 EEIDRO COCCCn1ccc(NC(=O)C2(c3ccccc3)CC[NH2+]CC2)n1 ZINC000160947074 463385273 /nfs/dbraw/zinc/38/52/73/463385273.db2.gz KNGHLPBVXQHFIU-UHFFFAOYSA-N 1 0 342.443 2.180 20 70 EEIDRO CC1CC[NH+](C2CCC(NS(=O)(=O)Cc3ccon3)CC2)CC1 ZINC000160964353 463386380 /nfs/dbraw/zinc/38/63/80/463386380.db2.gz CVTOUOGRVCFOMC-UHFFFAOYSA-N 1 0 341.477 2.137 20 70 EEIDRO COC(=O)c1cccc(OCC[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000161088474 463399162 /nfs/dbraw/zinc/39/91/62/463399162.db2.gz UHQMTRJVTZRVGS-VQIMIIECSA-N 1 0 333.428 2.479 20 70 EEIDRO CCC(CC)(C[NH3+])C(=O)NCc1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000161195038 463409216 /nfs/dbraw/zinc/40/92/16/463409216.db2.gz SSWFIHKVLQUTON-MRXNPFEDSA-N 1 0 347.459 2.185 20 70 EEIDRO CC[C@@](C)(O)CNC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000161190648 463409338 /nfs/dbraw/zinc/40/93/38/463409338.db2.gz UMUPBMKTGIJYJH-RDTXWAMCSA-N 1 0 334.464 2.067 20 70 EEIDRO CN1CC[C@@H](Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)C1=O ZINC000161190556 463409610 /nfs/dbraw/zinc/40/96/10/463409610.db2.gz LEAKYCGUHRBNKG-GOSISDBHSA-N 1 0 330.476 2.107 20 70 EEIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cccc(C(F)(F)F)c1F ZINC000159936064 534538430 /nfs/dbraw/zinc/53/84/30/534538430.db2.gz VLROSFIOIODOSZ-LLVKDONJSA-N 1 0 348.340 2.421 20 70 EEIDRO CC(C)([NH3+])CNC(=O)COc1ccc(Br)cc1Cl ZINC000160114023 527245388 /nfs/dbraw/zinc/24/53/88/527245388.db2.gz DDQBBDJYRKYUMT-UHFFFAOYSA-N 1 0 335.629 2.335 20 70 EEIDRO CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1nocc1C)c1ccccc1 ZINC000160036299 528269362 /nfs/dbraw/zinc/26/93/62/528269362.db2.gz YYRSJMPGCIPGCV-OAHLLOKOSA-N 1 0 344.415 2.121 20 70 EEIDRO CCC([NH3+])(CC)CNS(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000160145675 528949855 /nfs/dbraw/zinc/94/98/55/528949855.db2.gz ZVNPKWPSZUWOAK-UHFFFAOYSA-N 1 0 340.367 2.381 20 70 EEIDRO C[C@H](NC(=O)NCC1(Cc2ccccc2)CC1)[C@@H]1CN(C)CCO1 ZINC000159546992 539516630 /nfs/dbraw/zinc/51/66/30/539516630.db2.gz CUNRHCSFXYZHIG-RDJZCZTQSA-N 1 0 331.460 2.028 20 70 EEIDRO CC(=O)c1cccc(NC(=O)CN2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000161287286 539526207 /nfs/dbraw/zinc/52/62/07/539526207.db2.gz KOKMQUGWHCZGON-UHFFFAOYSA-N 1 0 338.411 2.045 20 70 EEIDRO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161335307 539527348 /nfs/dbraw/zinc/52/73/48/539527348.db2.gz MBZGJSQAYFVPQP-BRWVUGGUSA-N 1 0 330.476 2.382 20 70 EEIDRO CS(=O)(=O)NCC[C@H]1CCCCN1Cc1csc(C2CC2)n1 ZINC000161434211 539528247 /nfs/dbraw/zinc/52/82/47/539528247.db2.gz SJVUGMRVKPDZBR-CQSZACIVSA-N 1 0 343.518 2.314 20 70 EEIDRO C[C@@H]([NH2+]CCCN1CCCC1=O)c1ccc(N2CCOC2=O)cc1 ZINC000159485525 533380393 /nfs/dbraw/zinc/38/03/93/533380393.db2.gz RGKMPVSRGGCVKM-CQSZACIVSA-N 1 0 331.416 2.306 20 70 EEIDRO Cc1cc(C[N@@H+]2CCCC[C@H]2CCNS(C)(=O)=O)ccc1F ZINC000159411474 533598860 /nfs/dbraw/zinc/59/88/60/533598860.db2.gz ZZSHYJSYXKPMJC-HNNXBMFYSA-N 1 0 328.453 2.428 20 70 EEIDRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1cc(=O)[nH]c2cc(F)ccc21 ZINC000159756720 225272650 /nfs/dbraw/zinc/27/26/50/225272650.db2.gz XSQXICOYVIEPDR-GFCCVEGCSA-N 1 0 331.391 2.271 20 70 EEIDRO CCn1nccc1C[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000160053307 225328116 /nfs/dbraw/zinc/32/81/16/225328116.db2.gz ZFQSUBQUYGKHNE-ZDUSSCGKSA-N 1 0 336.461 2.004 20 70 EEIDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)CCN1c2ccccc2CCC1=O ZINC000159767044 276155625 /nfs/dbraw/zinc/15/56/25/276155625.db2.gz BPJWYNNVGDGTGT-QGZVFWFLSA-N 1 0 343.471 2.347 20 70 EEIDRO CC(C)(C)c1ncsc1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160651545 277277375 /nfs/dbraw/zinc/27/73/75/277277375.db2.gz BCBZQBOLEPKMNA-GFCCVEGCSA-N 1 0 325.478 2.017 20 70 EEIDRO Cc1cc(C)c(CCNC(=O)C[N@H+](C)C[C@H]2CCC[C@@H]2O)c(C)c1 ZINC000159480441 311342129 /nfs/dbraw/zinc/34/21/29/311342129.db2.gz SJECWOUVHCALMV-MJGOQNOKSA-N 1 0 332.488 2.363 20 70 EEIDRO CC[C@@]1(C)C[C@H]1C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000159662783 311344351 /nfs/dbraw/zinc/34/43/51/311344351.db2.gz VPVWQFBAVDNKTF-ICSRJNTNSA-N 1 0 329.488 2.357 20 70 EEIDRO C[NH+](C)Cc1ccc(CNC(=O)C2(NC(=O)OC(C)(C)C)CC2)cc1 ZINC000159710778 311345164 /nfs/dbraw/zinc/34/51/64/311345164.db2.gz HKZARZKLZVZLJJ-UHFFFAOYSA-N 1 0 347.459 2.422 20 70 EEIDRO C[NH+](C)[C@@H](CNC(=O)c1cccc(-n2ccnn2)c1)Cc1ccccc1 ZINC000160363548 311353465 /nfs/dbraw/zinc/35/34/65/311353465.db2.gz UNOSXXXZGRGZNH-LJQANCHMSA-N 1 0 349.438 2.170 20 70 EEIDRO CC(C)(C)[NH+]1CCC(NC(=O)Nc2ccnn2C[C@@H]2CCOC2)CC1 ZINC000159389827 463284455 /nfs/dbraw/zinc/28/44/55/463284455.db2.gz WLYJURRZCOYZPU-AWEZNQCLSA-N 1 0 349.479 2.304 20 70 EEIDRO CCc1ncsc1C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000159722792 463301830 /nfs/dbraw/zinc/30/18/30/463301830.db2.gz WPBJKTLTNQYPJD-UHFFFAOYSA-N 1 0 337.489 2.470 20 70 EEIDRO COc1cc(/C=C/C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc(OC)c1OC ZINC000160147530 463321612 /nfs/dbraw/zinc/32/16/12/463321612.db2.gz ISMXIGKDRCJOHX-LAELXIFRSA-N 1 0 346.427 2.079 20 70 EEIDRO C[C@@H](CNC(=O)N1CCCN(CC(F)F)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000160304850 463327025 /nfs/dbraw/zinc/32/70/25/463327025.db2.gz RVSNRKDHLLMSGV-CABCVRRESA-N 1 0 346.466 2.089 20 70 EEIDRO C[NH+](C)C1(CNC(=O)Cc2csc(-c3ccoc3)n2)CCOCC1 ZINC000160335592 463328288 /nfs/dbraw/zinc/32/82/88/463328288.db2.gz UPROAFRKLMLWQU-UHFFFAOYSA-N 1 0 349.456 2.173 20 70 EEIDRO C[C@@H]1C[C@H](NC(=O)N(C)CCn2cccn2)C[N@@H+]1Cc1ccccc1 ZINC000160403800 463334713 /nfs/dbraw/zinc/33/47/13/463334713.db2.gz CCSVCFCTMGJUMO-AEFFLSMTSA-N 1 0 341.459 2.188 20 70 EEIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cn(-c2ccccc2)nn1 ZINC000160408231 463335958 /nfs/dbraw/zinc/33/59/58/463335958.db2.gz AKLWNCLDRAUTQY-MRXNPFEDSA-N 1 0 327.432 2.118 20 70 EEIDRO Cn1cnc2cc(C(=O)N(CC[NH+](C)C)C3CCCCC3)cnc21 ZINC000160470565 463341490 /nfs/dbraw/zinc/34/14/90/463341490.db2.gz VTVOWYUFLYJBEA-UHFFFAOYSA-N 1 0 329.448 2.305 20 70 EEIDRO CC[NH+](CC)[C@@H](CNC(=O)c1cnc2c(c1)ncn2C)CC(C)C ZINC000160492666 463342867 /nfs/dbraw/zinc/34/28/67/463342867.db2.gz JBWXCXFNMKJZMO-OAHLLOKOSA-N 1 0 331.464 2.455 20 70 EEIDRO C[NH2+][C@H]1CCN(C(=O)c2ccc(C)c(NC(=O)NC(C)(C)C)c2)C1 ZINC000160631781 463357193 /nfs/dbraw/zinc/35/71/93/463357193.db2.gz XZMMDLACJWYLJP-AWEZNQCLSA-N 1 0 332.448 2.349 20 70 EEIDRO O=C(NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1cc2ccccn2c1 ZINC000160651022 463359095 /nfs/dbraw/zinc/35/90/95/463359095.db2.gz MKRZHTIHBPMAEL-UXHICEINSA-N 1 0 349.434 2.305 20 70 EEIDRO Cc1[nH]c2ccc(C(=O)NC[C@@H](O)C[NH+]3CCCCC3)cc2c1C ZINC000160701071 463363315 /nfs/dbraw/zinc/36/33/15/463363315.db2.gz QVJRQCIDAOTEQX-MRXNPFEDSA-N 1 0 329.444 2.361 20 70 EEIDRO Cc1ccc2nc(CSCC(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)cn2c1 ZINC000160777067 463369073 /nfs/dbraw/zinc/36/90/73/463369073.db2.gz PGUSZGWTAQQSNN-ZIAGYGMSSA-N 1 0 332.473 2.262 20 70 EEIDRO COc1cc(CCC(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc(OC)c1OC ZINC000160973630 463387141 /nfs/dbraw/zinc/38/71/41/463387141.db2.gz OSOZVNZQADTMGJ-KBPBESRZSA-N 1 0 336.432 2.031 20 70 EEIDRO COC(=O)c1ccc2[nH]cc(C(=O)C[N@H+](C)C[C@@H]3CCCOC3)c2c1 ZINC000161020501 463391632 /nfs/dbraw/zinc/39/16/32/463391632.db2.gz ZWKFANCFUCKVGM-ZDUSSCGKSA-N 1 0 344.411 2.496 20 70 EEIDRO COC[C@H](C)[NH2+]CCC(=O)N(C)Cc1ccccc1Br ZINC000161042082 463394238 /nfs/dbraw/zinc/39/42/38/463394238.db2.gz HVGRZAWAZKLQBV-LBPRGKRZSA-N 1 0 343.265 2.422 20 70 EEIDRO c1ccc([C@@H](C[NH2+]C2CCC3(CC2)OCCO3)N2CCOCC2)cc1 ZINC000161250796 463413566 /nfs/dbraw/zinc/41/35/66/463413566.db2.gz JSLCZTYZOBEHKG-LJQANCHMSA-N 1 0 346.471 2.335 20 70 EEIDRO CCC(CC)C(=O)N1CCC([NH2+]C2CCC(NC(C)=O)CC2)CC1 ZINC000161319713 463419645 /nfs/dbraw/zinc/41/96/45/463419645.db2.gz MUVZPYIOHLJOBK-UHFFFAOYSA-N 1 0 337.508 2.451 20 70 EEIDRO CC[C@@H]1Oc2cc([C@H](C)NC(=O)[C@@H]3CCC[C@@H]3[NH3+])ccc2NC1=O ZINC000161365139 463425561 /nfs/dbraw/zinc/42/55/61/463425561.db2.gz OHXOUSNHJKLFPA-QJZXMWHDSA-N 1 0 331.416 2.101 20 70 EEIDRO CCc1cc(N2CCC[C@@H]([NH2+]C3CCC(NC(C)=O)CC3)C2)ncn1 ZINC000161437657 463431199 /nfs/dbraw/zinc/43/11/99/463431199.db2.gz FPHBKFSPVIECFH-DAWZGUTISA-N 1 0 345.491 2.045 20 70 EEIDRO O=C(CCNC(=O)C1CCCCC1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159839172 534421919 /nfs/dbraw/zinc/42/19/19/534421919.db2.gz YLWFSEORSMXTKD-UHFFFAOYSA-N 1 0 335.492 2.064 20 70 EEIDRO CC(C)(C)C(=O)N1CCC(C[N@@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)CC1 ZINC000160128798 534430549 /nfs/dbraw/zinc/43/05/49/534430549.db2.gz YXNMQJFWQCDPRY-DLBZAZTESA-N 1 0 338.492 2.151 20 70 EEIDRO Cc1nc2cc(F)ccc2cc1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160149676 534638496 /nfs/dbraw/zinc/63/84/96/534638496.db2.gz OZTCCBICKQZJKZ-MRXNPFEDSA-N 1 0 345.418 2.259 20 70 EEIDRO [NH3+]C[C@@H]1CCCN1C(=O)[C@H]1CC(=O)N(c2cccc3ccccc32)C1 ZINC000160162169 534684463 /nfs/dbraw/zinc/68/44/63/534684463.db2.gz QKUNNDPAOSHRAA-HOTGVXAUSA-N 1 0 337.423 2.142 20 70 EEIDRO CC(C)([NH3+])CNC(=O)COc1ccc(OCc2ccccc2)cc1 ZINC000159950217 527245191 /nfs/dbraw/zinc/24/51/91/527245191.db2.gz GMHARFZQLGJMJT-UHFFFAOYSA-N 1 0 328.412 2.498 20 70 EEIDRO CC[NH+](CC)Cc1cccc(CNC(=O)c2cccc(=O)n2C)c1 ZINC000160129315 528194778 /nfs/dbraw/zinc/19/47/78/528194778.db2.gz CRTLPUFTDQUKEE-UHFFFAOYSA-N 1 0 327.428 2.157 20 70 EEIDRO CC[NH+](CC)[C@@H](CNC(=O)N(C)C[C@H]1CCC[C@@H]1O)c1ccco1 ZINC000160217427 528236571 /nfs/dbraw/zinc/23/65/71/528236571.db2.gz GNADEOXFEFUBTO-PMPSAXMXSA-N 1 0 337.464 2.465 20 70 EEIDRO C[N@H+](CCO)C1CCN(C(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000161149453 529920162 /nfs/dbraw/zinc/92/01/62/529920162.db2.gz HKGVKDIKJSKQSE-GOSISDBHSA-N 1 0 331.460 2.162 20 70 EEIDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCC(C)(C)[C@H](O)C(C)C)C1 ZINC000159783628 539518896 /nfs/dbraw/zinc/51/88/96/539518896.db2.gz QDKNCPQEONBTTD-JKSUJKDBSA-N 1 0 327.513 2.307 20 70 EEIDRO CN(C[C@@H](O)C1CC1)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000161394255 539526799 /nfs/dbraw/zinc/52/67/99/539526799.db2.gz DACJKWWCUGHKCZ-ZWKOTPCHSA-N 1 0 331.460 2.236 20 70 EEIDRO COc1ccc(-c2cnc(CCC(=O)N3CCC[C@@H]3C[NH3+])o2)cc1 ZINC000160124897 533184681 /nfs/dbraw/zinc/18/46/81/533184681.db2.gz YDRMBVDNNBSIHY-CQSZACIVSA-N 1 0 329.400 2.233 20 70 EEIDRO Cc1c(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)cnn1C1CCOCC1 ZINC000159491252 143799672 /nfs/dbraw/zinc/79/96/72/143799672.db2.gz SHCQUTUPZHIAKW-OAHLLOKOSA-N 1 0 348.491 2.395 20 70 EEIDRO C[C@H]([NH3+])C(=O)N1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000160126712 225343341 /nfs/dbraw/zinc/34/33/41/225343341.db2.gz NGSKSSPTNXKUQD-VIFPVBQESA-N 1 0 327.787 2.003 20 70 EEIDRO C[C@@H](C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000160112160 311350132 /nfs/dbraw/zinc/35/01/32/311350132.db2.gz NLNUPMQMOZNMEF-LJISPDSOSA-N 1 0 339.480 2.373 20 70 EEIDRO CC(=O)Nc1ccc(CC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)cc1 ZINC000160421141 311353846 /nfs/dbraw/zinc/35/38/46/311353846.db2.gz KHOHQSINEYRYQO-GOSISDBHSA-N 1 0 331.460 2.424 20 70 EEIDRO C[NH+](C)CCc1ccc(NC(=O)C(=O)N2CCC3(CCC3)C2)cc1 ZINC000159429189 463285261 /nfs/dbraw/zinc/28/52/61/463285261.db2.gz WHRHJPSZKBAAEX-UHFFFAOYSA-N 1 0 329.444 2.132 20 70 EEIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccnn1C[C@@H]1CCOC1 ZINC000159467518 463287380 /nfs/dbraw/zinc/28/73/80/463287380.db2.gz BZERZPNXUNSDTQ-JKSUJKDBSA-N 1 0 349.479 2.162 20 70 EEIDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N(C)[C@@H]2CCCc3c2cnn3C)C1 ZINC000159602330 463294993 /nfs/dbraw/zinc/29/49/93/463294993.db2.gz FLFKXSNCROEPGU-DOTOQJQBSA-N 1 0 347.507 2.417 20 70 EEIDRO Cc1c[nH]c(=O)n1-c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000159859621 463307927 /nfs/dbraw/zinc/30/79/27/463307927.db2.gz CVBIRIXQTHMIFH-ZIAGYGMSSA-N 1 0 344.459 2.428 20 70 EEIDRO CCC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(C(C)(C)C(N)=O)cc2)C1 ZINC000159990513 463314511 /nfs/dbraw/zinc/31/45/11/463314511.db2.gz ZCOAZBDCKPXGCE-CQSZACIVSA-N 1 0 346.475 2.303 20 70 EEIDRO Cc1noc(C)c1C[C@@H](C)NC(=O)c1cccn1C1CC[NH2+]CC1 ZINC000160218646 463324095 /nfs/dbraw/zinc/32/40/95/463324095.db2.gz MZDZLBWFQYOBGW-GFCCVEGCSA-N 1 0 330.432 2.378 20 70 EEIDRO C[N@@H+](Cc1cnc2ccccn12)C[C@H](O)COCc1ccccc1 ZINC000160371211 463331250 /nfs/dbraw/zinc/33/12/50/463331250.db2.gz QFOCVBWGCBKCFK-SFHVURJKSA-N 1 0 325.412 2.344 20 70 EEIDRO Cn1cc(/C=C/C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c2ccccc21 ZINC000160433276 463338848 /nfs/dbraw/zinc/33/88/48/463338848.db2.gz ATFSZQIUQIZAFV-OAGJVSPASA-N 1 0 341.455 2.155 20 70 EEIDRO Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1ccccc1CN1CCOCC1 ZINC000160503829 463344193 /nfs/dbraw/zinc/34/41/93/463344193.db2.gz XNFIWZWRFJTGAA-IBGZPJMESA-N 1 0 340.471 2.420 20 70 EEIDRO CCCCS(=O)(=O)Nc1ccc(NC(=O)C[NH2+]CC2CC2)cc1 ZINC000160662153 463359678 /nfs/dbraw/zinc/35/96/78/463359678.db2.gz HWJOSRHNOZMNOY-UHFFFAOYSA-N 1 0 339.461 2.167 20 70 EEIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2ccc(I)cc2)C1 ZINC000160965748 463386540 /nfs/dbraw/zinc/38/65/40/463386540.db2.gz ZXTGAGWDWNJLFB-NWDGAFQWSA-N 1 0 344.196 2.291 20 70 EEIDRO CC[NH2+]CC1CCN(C(=O)CCc2nc(-c3ccoc3)no2)CC1 ZINC000161009194 463390371 /nfs/dbraw/zinc/39/03/71/463390371.db2.gz VAIVMKRCRJFZTE-UHFFFAOYSA-N 1 0 332.404 2.110 20 70 EEIDRO CCO[C@@H]1C[C@@H](N(C)C(=O)C[NH2+]C[C@@H]2CCCO2)C12CCCCC2 ZINC000161021326 463392008 /nfs/dbraw/zinc/39/20/08/463392008.db2.gz SGMMQTUQLPDFDS-GVDBMIGSSA-N 1 0 338.492 2.341 20 70 EEIDRO C[NH+](C)CCN(Cc1ccco1)C(=O)N[C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000161040608 463394387 /nfs/dbraw/zinc/39/43/87/463394387.db2.gz GPVBGJVGXDPLMW-ULQDDVLXSA-N 1 0 347.459 2.310 20 70 EEIDRO C[C@H](CNC(=O)N[C@H](C)c1ccc(NC(N)=O)cc1)C[NH+]1CCCC1 ZINC000161081359 463398970 /nfs/dbraw/zinc/39/89/70/463398970.db2.gz BGLOJWURFPZNAQ-ZIAGYGMSSA-N 1 0 347.463 2.269 20 70 EEIDRO CC[NH2+]CC1CCN(C(=O)c2cccnc2OCC(F)(F)F)CC1 ZINC000161135727 463403007 /nfs/dbraw/zinc/40/30/07/463403007.db2.gz HHMDUVCPGMUYNV-UHFFFAOYSA-N 1 0 345.365 2.484 20 70 EEIDRO C[NH2+]C[C@@H]1CCCN1C(=O)CCOc1ccccc1Br ZINC000161161693 463405514 /nfs/dbraw/zinc/40/55/14/463405514.db2.gz IZKREWYYWZBJOL-LBPRGKRZSA-N 1 0 341.249 2.428 20 70 EEIDRO COc1ccccc1[C@H](C[NH2+]C1CCC(NC(C)=O)CC1)N(C)C ZINC000161218122 463410771 /nfs/dbraw/zinc/41/07/71/463410771.db2.gz QQIGUZIRIKGEPX-HTWSVDAQSA-N 1 0 333.476 2.335 20 70 EEIDRO CCC[C@@](C)(CO)NC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000161340778 463422983 /nfs/dbraw/zinc/42/29/83/463422983.db2.gz TZMKYNYRAMAIIJ-BEFAXECRSA-N 1 0 348.491 2.457 20 70 EEIDRO CC1(C)C[C@H](NC(=O)NCC[N@@H+]2CCc3ccccc3C2)CCO1 ZINC000161447351 463431034 /nfs/dbraw/zinc/43/10/34/463431034.db2.gz URIMXAXXPNTVJV-QGZVFWFLSA-N 1 0 331.460 2.302 20 70 EEIDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cc(=O)[nH]c2cc(F)ccc21 ZINC000159756607 533819260 /nfs/dbraw/zinc/81/92/60/533819260.db2.gz XSQXICOYVIEPDR-LBPRGKRZSA-N 1 0 331.391 2.271 20 70 EEIDRO C[C@@H](CNC(=O)CCc1nc(-c2ccoc2)no1)[N@@H+]1CCC[C@@H](C)C1 ZINC000159872002 533895894 /nfs/dbraw/zinc/89/58/94/533895894.db2.gz XEIYLVZREDKEGH-KGLIPLIRSA-N 1 0 346.431 2.499 20 70 EEIDRO O=C(NCC[NH+]1CCCCC1)Nc1ccc(O[C@H]2CCOC2)cc1 ZINC000160281721 534326476 /nfs/dbraw/zinc/32/64/76/534326476.db2.gz GYJLXXPYLAAACH-KRWDZBQOSA-N 1 0 333.432 2.462 20 70 EEIDRO CC[N@@H+]1CCCN(C(=O)NCc2ccc3c(c2)OCCCO3)CC1 ZINC000159809985 529027124 /nfs/dbraw/zinc/02/71/24/529027124.db2.gz ZIFFJONPNAAGEE-UHFFFAOYSA-N 1 0 333.432 2.085 20 70 EEIDRO CC[C@H](Oc1ccccc1C)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160182226 529164297 /nfs/dbraw/zinc/16/42/97/529164297.db2.gz KXAYBMWIEKWRSJ-SJORKVTESA-N 1 0 334.460 2.115 20 70 EEIDRO Cc1cn(-c2ccccc2)nc1NC(=O)N[C@H](C)[C@@H]1CN(C)CCO1 ZINC000159374335 539515788 /nfs/dbraw/zinc/51/57/88/539515788.db2.gz ARSNBYIANPLOOF-ZBFHGGJFSA-N 1 0 343.431 2.021 20 70 EEIDRO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(C)ncn3)c(C)c2)CC1 ZINC000161270589 539526403 /nfs/dbraw/zinc/52/64/03/539526403.db2.gz JMXPUDKGUWCRRY-UHFFFAOYSA-N 1 0 339.443 2.488 20 70 EEIDRO O=C(c1cc2c([nH]c1=O)CCCCC2)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000159395953 296188865 /nfs/dbraw/zinc/18/88/65/296188865.db2.gz NRVFDXALSVGDBJ-MRXNPFEDSA-N 1 0 343.471 2.344 20 70 EEIDRO COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159507838 532966009 /nfs/dbraw/zinc/96/60/09/532966009.db2.gz FVKJDZAZTPZMRE-AIANPOQGSA-N 1 0 334.460 2.354 20 70 EEIDRO COc1ccccc1[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)c1ccccn1 ZINC000159859250 533019844 /nfs/dbraw/zinc/01/98/44/533019844.db2.gz AKHBENXXOOVBHN-WMZOPIPTSA-N 1 0 325.412 2.390 20 70 EEIDRO CC[C@@H](C)[C@H]([NH3+])C(=O)NCC1CCN(C(=O)c2ccccc2)CC1 ZINC000159685143 143801145 /nfs/dbraw/zinc/80/11/45/143801145.db2.gz JQQPOHRNRXNOIE-PBHICJAKSA-N 1 0 331.460 2.028 20 70 EEIDRO CC[N@H+](CCNC(=O)Nc1ccc(C(C)(C)C(N)=O)cc1)C(C)C ZINC000159945033 143804647 /nfs/dbraw/zinc/80/46/47/143804647.db2.gz MNZGIDDEJOOGGS-UHFFFAOYSA-N 1 0 334.464 2.301 20 70 EEIDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@@H](C)CCCO)CC1 ZINC000159577197 225243020 /nfs/dbraw/zinc/24/30/20/225243020.db2.gz XLBUGNSBJLCOCL-LSDHHAIUSA-N 1 0 334.464 2.067 20 70 EEIDRO O=C(NCC[NH2+]C1CCC2(CC1)OCCO2)c1ccccc1Cl ZINC000161483440 225635815 /nfs/dbraw/zinc/63/58/15/225635815.db2.gz YAQFYYBXBIYMTO-UHFFFAOYSA-N 1 0 338.835 2.345 20 70 EEIDRO CC(C)c1ccc(N2CC[C@@H](C(=O)N3CCC[C@@H]3C[NH3+])C2=O)cc1 ZINC000160396525 276054181 /nfs/dbraw/zinc/05/41/81/276054181.db2.gz PTHDJHTXGOLJKP-SJORKVTESA-N 1 0 329.444 2.113 20 70 EEIDRO CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)C1(OC)CC[NH2+]CC1 ZINC000159457990 294471918 /nfs/dbraw/zinc/47/19/18/294471918.db2.gz NFQRGPUZGFUPMF-DOMZBBRYSA-N 1 0 340.851 2.301 20 70 EEIDRO CC[C@@H](C(=O)NCc1ccc(C(=O)Nc2cccnc2)cc1)[NH+](C)C ZINC000160271885 311352137 /nfs/dbraw/zinc/35/21/37/311352137.db2.gz CCHPTWKXEWZBOL-KRWDZBQOSA-N 1 0 340.427 2.290 20 70 EEIDRO COc1ccc(C[N@H+](C)C2CCN(S(C)(=O)=O)CC2)cc1Cl ZINC000161233483 311363576 /nfs/dbraw/zinc/36/35/76/311363576.db2.gz XCYWPKYHTJMLKS-UHFFFAOYSA-N 1 0 346.880 2.204 20 70 EEIDRO CCCC[NH+]1CCC(NC(=O)NCCCC(=O)OC(C)C)CC1 ZINC000159611157 463295319 /nfs/dbraw/zinc/29/53/19/463295319.db2.gz NJWQQNSOQGFPRP-UHFFFAOYSA-N 1 0 327.469 2.282 20 70 EEIDRO CCCC(=O)N1CCC[C@H](C(=O)NCC[NH2+]C2CCCCCC2)C1 ZINC000159691315 463300390 /nfs/dbraw/zinc/30/03/90/463300390.db2.gz ILAMNDDEPKWOKE-INIZCTEOSA-N 1 0 337.508 2.454 20 70 EEIDRO Cn1cnc2cc(C(=O)Nc3ccc(OCC[NH+](C)C)cc3)cnc21 ZINC000159706862 463300397 /nfs/dbraw/zinc/30/03/97/463300397.db2.gz LUOPFRKUIIPKGL-UHFFFAOYSA-N 1 0 339.399 2.161 20 70 EEIDRO CC[C@H]([NH3+])C(=O)N1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000160127563 463320469 /nfs/dbraw/zinc/32/04/69/463320469.db2.gz KKWIZZDTIUTSCW-AWEZNQCLSA-N 1 0 341.814 2.394 20 70 EEIDRO CCN(CC)C(=O)C[C@@H](C)[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000160146719 463321306 /nfs/dbraw/zinc/32/13/06/463321306.db2.gz RPULQHCDDUXSGQ-KGLIPLIRSA-N 1 0 340.489 2.388 20 70 EEIDRO CSC[C@@H](CCO)[NH2+][C@H](C)c1nnn(-c2ccc(F)cc2)c1C ZINC000160291668 463326494 /nfs/dbraw/zinc/32/64/94/463326494.db2.gz YTLVKZMACSUYJE-BXUZGUMPSA-N 1 0 338.452 2.479 20 70 EEIDRO C[N@H+](CCCc1nc(-c2ccccc2)no1)[C@@H]1CCCCNC1=O ZINC000160299412 463327338 /nfs/dbraw/zinc/32/73/38/463327338.db2.gz PXQVRCMQCHTINK-OAHLLOKOSA-N 1 0 328.416 2.270 20 70 EEIDRO Cc1nnc(NC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)s1 ZINC000160713460 463365020 /nfs/dbraw/zinc/36/50/20/463365020.db2.gz QGIJKQSFNBMCQC-UHFFFAOYSA-N 1 0 346.456 2.303 20 70 EEIDRO C[NH2+][C@@H]1CCN(C(=O)c2cccc(-n3ccc(C(F)(F)F)n3)c2)C1 ZINC000160772367 463369313 /nfs/dbraw/zinc/36/93/13/463369313.db2.gz BLHPCIBVZUUZRO-GFCCVEGCSA-N 1 0 338.333 2.325 20 70 EEIDRO C[C@H]1CCC[C@](CNC(=O)c2cccc3c2oc(=O)n3C)([NH+](C)C)C1 ZINC000160779073 463370146 /nfs/dbraw/zinc/37/01/46/463370146.db2.gz CFRMONGXHFSKIR-DJJJIMSYSA-N 1 0 345.443 2.372 20 70 EEIDRO COCCN(Cc1cccnc1)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160836167 463374941 /nfs/dbraw/zinc/37/49/41/463374941.db2.gz PREHZTSVUYKODZ-QGZVFWFLSA-N 1 0 346.475 2.257 20 70 EEIDRO CC[NH+](CC)CCCNC(=O)N[C@H](C)c1ccc(NC(N)=O)cc1 ZINC000161033077 463393506 /nfs/dbraw/zinc/39/35/06/463393506.db2.gz OLPSEFUWEIITPS-CYBMUJFWSA-N 1 0 335.452 2.269 20 70 EEIDRO Cc1c(CNC(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)cnn1C ZINC000161063325 463396668 /nfs/dbraw/zinc/39/66/68/463396668.db2.gz BBBMIJAFSSHZSL-QGZVFWFLSA-N 1 0 329.448 2.139 20 70 EEIDRO CC[NH2+]CC1CCN(C(=O)c2cnn(-c3ccccn3)c2CC)CC1 ZINC000161120563 463400848 /nfs/dbraw/zinc/40/08/48/463400848.db2.gz VGVUQVIXMQYJTE-UHFFFAOYSA-N 1 0 341.459 2.291 20 70 EEIDRO COc1ccccc1-c1nn(C)cc1C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000161246312 463412883 /nfs/dbraw/zinc/41/28/83/463412883.db2.gz NAAIFRDYISGQKL-CHWSQXEVSA-N 1 0 328.416 2.095 20 70 EEIDRO CCCC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1c(C)noc1C ZINC000161242307 463413016 /nfs/dbraw/zinc/41/30/16/463413016.db2.gz MHZDCKIQZOKBCJ-AWEZNQCLSA-N 1 0 329.466 2.224 20 70 EEIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)CCSc2ccc3c(c2)OCCO3)C1 ZINC000161263641 463414998 /nfs/dbraw/zinc/41/49/98/463414998.db2.gz BIZVCIAJQZSOBF-QWHCGFSZSA-N 1 0 336.457 2.326 20 70 EEIDRO CC(C)(C)[NH+]1CCC(NC(=O)c2csc(S(C)(=O)=O)c2)CC1 ZINC000159522097 526287040 /nfs/dbraw/zinc/28/70/40/526287040.db2.gz CMAVPWFHPQDRSG-UHFFFAOYSA-N 1 0 344.502 2.144 20 70 EEIDRO CC(C)NC(=O)c1ccc(C(=O)NCC[NH+]2CCCCCC2)cc1 ZINC000160002316 527720386 /nfs/dbraw/zinc/72/03/86/527720386.db2.gz GKHONRMDPSFNQA-UHFFFAOYSA-N 1 0 331.460 2.431 20 70 EEIDRO CCOc1c(OC)cc(C[NH+]2CCC(CC(N)=O)CC2)cc1OC ZINC000159828083 528185232 /nfs/dbraw/zinc/18/52/32/528185232.db2.gz DHTJZTNIGJOBPW-UHFFFAOYSA-N 1 0 336.432 2.190 20 70 EEIDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000159728267 529413807 /nfs/dbraw/zinc/41/38/07/529413807.db2.gz HVXXCMLLPXAJGG-CABCVRRESA-N 1 0 340.489 2.232 20 70 EEIDRO CC[C@@H](CCO)CNC(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160370362 529465478 /nfs/dbraw/zinc/46/54/78/529465478.db2.gz MPXRUJFFGTUFIX-BQFCYCMXSA-N 1 0 333.476 2.357 20 70 EEIDRO O=C(c1csc([C@H]2CCCO2)n1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000160288084 539521566 /nfs/dbraw/zinc/52/15/66/539521566.db2.gz FKTYHFNGLHCRLA-OAHLLOKOSA-N 1 0 344.440 2.352 20 70 EEIDRO C[C@H](C(=O)N(C)C1CCCCC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161338948 539527279 /nfs/dbraw/zinc/52/72/79/539527279.db2.gz KTHLZNHTOITAKJ-MRXNPFEDSA-N 1 0 330.476 2.383 20 70 EEIDRO Cc1ccc(C)c(NC(=O)C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)c1 ZINC000159429556 533678430 /nfs/dbraw/zinc/67/84/30/533678430.db2.gz CYCPEAGIAWRROR-MRXNPFEDSA-N 1 0 331.460 2.336 20 70 EEIDRO Cc1ccc(F)cc1NC(=O)C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000159479927 225225693 /nfs/dbraw/zinc/22/56/93/225225693.db2.gz GRNNWKCHQUWHIE-CQSZACIVSA-N 1 0 335.423 2.167 20 70 EEIDRO CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)N1CC[C@@H]([NH3+])C1 ZINC000160203688 225360258 /nfs/dbraw/zinc/36/02/58/225360258.db2.gz RRTWKWBOQWQERT-CQSZACIVSA-N 1 0 335.411 2.291 20 70 EEIDRO C[C@@]1(C(=O)Nc2ccc(C(=O)NCC(F)(F)F)cc2)CCC[NH2+]C1 ZINC000161384589 225616939 /nfs/dbraw/zinc/61/69/39/225616939.db2.gz KYAGIJPMTJXRBN-OAHLLOKOSA-N 1 0 343.349 2.307 20 70 EEIDRO CC(C)[NH2+]CCC(=O)Nc1ccc(C(N)=O)c(N2CCCCC2)c1 ZINC000160044635 311349109 /nfs/dbraw/zinc/34/91/09/311349109.db2.gz NLWAQYJUJJGJLK-UHFFFAOYSA-N 1 0 332.448 2.102 20 70 EEIDRO CCOC(=O)NCCCC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000160690774 311357311 /nfs/dbraw/zinc/35/73/11/311357311.db2.gz FFIILKKORSQDQP-AWEZNQCLSA-N 1 0 327.469 2.139 20 70 EEIDRO CCN(Cc1cnn(C)c1)[C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000161079256 311361900 /nfs/dbraw/zinc/36/19/00/311361900.db2.gz VAXWRCLLQJZSEH-ZDUSSCGKSA-N 1 0 328.416 2.472 20 70 EEIDRO CC[NH+](CC)CC(=O)NCc1ccc(COC2CCOCC2)cc1 ZINC000161308170 311364317 /nfs/dbraw/zinc/36/43/17/311364317.db2.gz IREIGDVWYQNCCD-UHFFFAOYSA-N 1 0 334.460 2.340 20 70 EEIDRO O=C(Cc1ccc2c(c1)OCCO2)NCC[NH2+]C1CCCCCC1 ZINC000159699553 463300211 /nfs/dbraw/zinc/30/02/11/463300211.db2.gz OWGKYQZAPIEGON-UHFFFAOYSA-N 1 0 332.444 2.429 20 70 EEIDRO CCOCCC[N@@H+]1CCCN(c2ccc(C(=O)OCC)cn2)CC1 ZINC000159923687 463310484 /nfs/dbraw/zinc/31/04/84/463310484.db2.gz AQFSIMNHEWFJEF-UHFFFAOYSA-N 1 0 335.448 2.197 20 70 EEIDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(C)CC1(O)CCCC1 ZINC000160002615 463314908 /nfs/dbraw/zinc/31/49/08/463314908.db2.gz UMYRWODIYJCKDH-AEFFLSMTSA-N 1 0 345.487 2.453 20 70 EEIDRO CC(C)c1ccc(N2CC[C@H](C(=O)N3CCC[C@H]3C[NH3+])C2=O)cc1 ZINC000160396676 463335278 /nfs/dbraw/zinc/33/52/78/463335278.db2.gz PTHDJHTXGOLJKP-DLBZAZTESA-N 1 0 329.444 2.113 20 70 EEIDRO C[C@@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1cnc2ccsc2c1 ZINC000160421168 463337166 /nfs/dbraw/zinc/33/71/66/463337166.db2.gz UBSCDUKWMRGJCS-CYBMUJFWSA-N 1 0 346.500 2.500 20 70 EEIDRO CCC([NH3+])(CC)CNC(=O)c1ccc(S(=O)(=O)C(C)C)cc1 ZINC000160493598 463344810 /nfs/dbraw/zinc/34/48/10/463344810.db2.gz PNYPTPQIRRPTQR-UHFFFAOYSA-N 1 0 326.462 2.116 20 70 EEIDRO C[C@H](C(=O)NCc1ccc(F)cc1)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160629822 463356509 /nfs/dbraw/zinc/35/65/09/463356509.db2.gz JYTFCVACLSGUSU-IDHHARJASA-N 1 0 334.435 2.457 20 70 EEIDRO C[NH2+][C@H]1CCN(C(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)C1 ZINC000160704558 463363791 /nfs/dbraw/zinc/36/37/91/463363791.db2.gz AUEBAHVAGXHOOL-NSHDSACASA-N 1 0 346.381 2.073 20 70 EEIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2ccc(I)cc2)C1 ZINC000160965928 463385733 /nfs/dbraw/zinc/38/57/33/463385733.db2.gz ZXTGAGWDWNJLFB-VXGBXAGGSA-N 1 0 344.196 2.291 20 70 EEIDRO CC[NH2+]CC1CCN(C(=O)[C@@H]2CCCN(C(=O)[C@@H](C)CC)C2)CC1 ZINC000161025767 463392068 /nfs/dbraw/zinc/39/20/68/463392068.db2.gz ZEUBFMUSJXUXNU-DOTOQJQBSA-N 1 0 337.508 2.119 20 70 EEIDRO C[C@@H](CC(=O)NCc1cc(=O)[nH]c2ccccc12)[C@@H]1CCC[NH2+]C1 ZINC000161047069 463393917 /nfs/dbraw/zinc/39/39/17/463393917.db2.gz IZKSFTJABWWEQL-UONOGXRCSA-N 1 0 327.428 2.170 20 70 EEIDRO CC[NH2+]CC1CCN(C(=O)c2sc(-c3ncccn3)nc2C)CC1 ZINC000161140968 463402919 /nfs/dbraw/zinc/40/29/19/463402919.db2.gz VVFOYLWNFRVZQS-UHFFFAOYSA-N 1 0 345.472 2.370 20 70 EEIDRO CCC(CC)(C[NH3+])C(=O)NC1CCN(C(=O)c2ccccc2F)CC1 ZINC000161172911 463407131 /nfs/dbraw/zinc/40/71/31/463407131.db2.gz DMDOOYYAJMVDPT-UHFFFAOYSA-N 1 0 349.450 2.312 20 70 EEIDRO C[N@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)CC(=O)NC1CC1 ZINC000161229344 463411949 /nfs/dbraw/zinc/41/19/49/463411949.db2.gz LHGRTVPWKMDBOD-UHFFFAOYSA-N 1 0 330.407 2.359 20 70 EEIDRO CN(C[C@H]1CCC[C@@H]1O)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000161263165 463415058 /nfs/dbraw/zinc/41/50/58/463415058.db2.gz YQHHLRVLVKWZTP-QYZOEREBSA-N 1 0 345.487 2.453 20 70 EEIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)COc2ccccc2OCC(F)(F)F)C1 ZINC000161282362 463416098 /nfs/dbraw/zinc/41/60/98/463416098.db2.gz JKIVGCRALQBHTQ-NEPJUHHUSA-N 1 0 346.349 2.393 20 70 EEIDRO Cc1cccc(C(=O)N[C@H](C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)C(C)C)c1 ZINC000161382158 463426482 /nfs/dbraw/zinc/42/64/82/463426482.db2.gz QGBHSTLNGJQSGO-BBWFWOEESA-N 1 0 331.460 2.136 20 70 EEIDRO CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)[C@H](CC)[NH+](C)C)c1 ZINC000161383039 463426788 /nfs/dbraw/zinc/42/67/88/463426788.db2.gz CMTPKBFAZHWVHU-WFASDCNBSA-N 1 0 341.477 2.042 20 70 EEIDRO C[C@@H]1C[N@@H+](CCCCNc2ccc(S(C)(=O)=O)cc2)C[C@H](C)O1 ZINC000159421859 534462707 /nfs/dbraw/zinc/46/27/07/534462707.db2.gz JZCRXCDPRLWOSW-GASCZTMLSA-N 1 0 340.489 2.391 20 70 EEIDRO [NH3+]C[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)N(c2cccc3ccccc32)C1 ZINC000160162070 534684053 /nfs/dbraw/zinc/68/40/53/534684053.db2.gz QKUNNDPAOSHRAA-CVEARBPZSA-N 1 0 337.423 2.142 20 70 EEIDRO CC[N@@H+]1CCCN(C(=O)NC2CCN(c3cccc(C)n3)CC2)CC1 ZINC000159873361 529022909 /nfs/dbraw/zinc/02/29/09/529022909.db2.gz BCIBFRIXBKPRIF-UHFFFAOYSA-N 1 0 345.491 2.096 20 70 EEIDRO CC[N@@H+]1CCCN(C(=O)NCc2ccc(N3CCCC3=O)cc2)CC1 ZINC000159562462 529027352 /nfs/dbraw/zinc/02/73/52/529027352.db2.gz AKBWHGUJVNAIGI-UHFFFAOYSA-N 1 0 344.459 2.051 20 70 EEIDRO CC[N@@H+]1CCCN(C(=O)NCc2cc(OC)nc3ccccc23)CC1 ZINC000159917574 529027769 /nfs/dbraw/zinc/02/77/69/529027769.db2.gz JAUDSEOZNSYUSD-UHFFFAOYSA-N 1 0 342.443 2.481 20 70 EEIDRO C[NH2+][C@H]1CCN(C(=O)CCCOc2ccccc2Br)C1 ZINC000160704024 533030799 /nfs/dbraw/zinc/03/07/99/533030799.db2.gz WGAGZVIIOGTHRK-LBPRGKRZSA-N 1 0 341.249 2.428 20 70 EEIDRO CS(=O)(=O)c1ccccc1C(=O)NCC[NH2+]C1CCCCCC1 ZINC000159648458 533461055 /nfs/dbraw/zinc/46/10/55/533461055.db2.gz LEDUDHZKXUMWML-UHFFFAOYSA-N 1 0 338.473 2.132 20 70 EEIDRO CNC(=O)CC1CC[NH+](CC2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC000159945346 143805095 /nfs/dbraw/zinc/80/50/95/143805095.db2.gz YYOCBXRGCJNXOL-UHFFFAOYSA-N 1 0 337.508 2.119 20 70 EEIDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cccc(-n2ccnn2)c1 ZINC000159710835 225264485 /nfs/dbraw/zinc/26/44/85/225264485.db2.gz DUOUVXSWZAZBCT-HNNXBMFYSA-N 1 0 327.432 2.262 20 70 EEIDRO CCn1nccc1C[NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000160053441 225328430 /nfs/dbraw/zinc/32/84/30/225328430.db2.gz ZFQSUBQUYGKHNE-CYBMUJFWSA-N 1 0 336.461 2.004 20 70 EEIDRO Cc1cc(Br)ccc1NC(=O)CN(C)[C@@H](C[NH3+])C1CC1 ZINC000160089422 225336105 /nfs/dbraw/zinc/33/61/05/225336105.db2.gz FVUZSDYHBOXBQG-AWEZNQCLSA-N 1 0 340.265 2.365 20 70 EEIDRO C[C@H](SCc1ccccc1)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160122331 225343033 /nfs/dbraw/zinc/34/30/33/225343033.db2.gz CHIDBUHPCFFVHO-DOTOQJQBSA-N 1 0 336.501 2.271 20 70 EEIDRO CCC[C@H](C(=O)N1CCC[C@H](c2nnc3n2CCCCC3)C1)[NH+](C)C ZINC000159459519 276281435 /nfs/dbraw/zinc/28/14/35/276281435.db2.gz JTZVVXDEVCUBPP-JKSUJKDBSA-N 1 0 347.507 2.441 20 70 EEIDRO Cc1n[nH]c(C)c1[C@H](C)CC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000159534693 311342562 /nfs/dbraw/zinc/34/25/62/311342562.db2.gz JNRAKRPZQCTZCZ-MGPQQGTHSA-N 1 0 336.480 2.136 20 70 EEIDRO CCC[C@](C)(CO)NC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000160023644 463316132 /nfs/dbraw/zinc/31/61/32/463316132.db2.gz XXTNEVRRIJYWCO-KVSKMBFKSA-N 1 0 333.476 2.357 20 70 EEIDRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+][C@@H](CCO)CSC)cc1 ZINC000160298693 463327515 /nfs/dbraw/zinc/32/75/15/463327515.db2.gz UTSAYVWBZOYBSO-DOMZBBRYSA-N 1 0 346.518 2.213 20 70 EEIDRO O=C(NCCC[NH+]1CCCCCC1)c1cccc(-n2ccnn2)c1 ZINC000160378736 463332580 /nfs/dbraw/zinc/33/25/80/463332580.db2.gz QFXIWDXKUZOPDX-UHFFFAOYSA-N 1 0 327.432 2.263 20 70 EEIDRO COc1cc([C@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)cc(OC)c1OC ZINC000160414624 463337289 /nfs/dbraw/zinc/33/72/89/463337289.db2.gz VUFPNLRIGKDBFO-SMDDNHRTSA-N 1 0 346.431 2.278 20 70 EEIDRO Cc1cc(Cl)ccc1C(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000160482952 463343286 /nfs/dbraw/zinc/34/32/86/463343286.db2.gz RRMYQYIFWXIFIJ-INIZCTEOSA-N 1 0 349.862 2.203 20 70 EEIDRO CCCN(CC[NH+](CC)CC)C(=O)Nc1ccc2c(c1)C(=O)NC2=O ZINC000160535492 463348026 /nfs/dbraw/zinc/34/80/26/463348026.db2.gz JDXOLBRFVXIGJW-UHFFFAOYSA-N 1 0 346.431 2.156 20 70 EEIDRO Cc1ccc(CC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)s1 ZINC000160540002 463348465 /nfs/dbraw/zinc/34/84/65/463348465.db2.gz ZXTVJGGXFAHKFQ-DLBZAZTESA-N 1 0 336.501 2.483 20 70 EEIDRO C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)C1 ZINC000160549695 463349725 /nfs/dbraw/zinc/34/97/25/463349725.db2.gz XBXGOKXQZOQDKB-ZBFHGGJFSA-N 1 0 349.862 2.013 20 70 EEIDRO Cc1ncc(/C=C/C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)s1 ZINC000160641613 463357408 /nfs/dbraw/zinc/35/74/08/463357408.db2.gz YHBNJVYQSLXXDL-NGHLMZTLSA-N 1 0 349.500 2.349 20 70 EEIDRO C[C@@H](NC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)c1ccc(NC(N)=O)cc1 ZINC000160752393 463368480 /nfs/dbraw/zinc/36/84/80/463368480.db2.gz PRZXIKHLWKAGJX-MLGOLLRUSA-N 1 0 345.447 2.022 20 70 EEIDRO CCC[C@H]1CN(C(=O)NCc2ccccc2OCC[NH+](C)C)CCO1 ZINC000160770719 463369160 /nfs/dbraw/zinc/36/91/60/463369160.db2.gz NDXOBVZDUZIFPW-KRWDZBQOSA-N 1 0 349.475 2.338 20 70 EEIDRO C[C@H]([NH2+]CC(=O)Nc1ccc(Br)cc1)c1cnn(C)c1 ZINC000160780226 463370663 /nfs/dbraw/zinc/37/06/63/463370663.db2.gz PZJGWLYNXAAHMJ-JTQLQIEISA-N 1 0 337.221 2.472 20 70 EEIDRO CC[NH2+]CC1CCN(C(=O)[C@@H]2CCCCN2C(=O)c2ccco2)CC1 ZINC000161032176 463392739 /nfs/dbraw/zinc/39/27/39/463392739.db2.gz SWZHYWDWVSCBTC-INIZCTEOSA-N 1 0 347.459 2.122 20 70 EEIDRO CC[C@@H]([NH2+][C@H](C)C(=O)NC(=O)NC1CC1)c1ccc(F)cc1F ZINC000161026773 463392900 /nfs/dbraw/zinc/39/29/00/463392900.db2.gz SFRSWQUOQHKRFY-YMTOWFKASA-N 1 0 325.359 2.382 20 70 EEIDRO COCCC1(C(=O)N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000161436599 463430923 /nfs/dbraw/zinc/43/09/23/463430923.db2.gz SFOGQPLZRCMRAP-IYBDPMFKSA-N 1 0 338.492 2.151 20 70 EEIDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc3c(c2)CCC3)C1 ZINC000159399181 528020431 /nfs/dbraw/zinc/02/04/31/528020431.db2.gz HYQGYZWAZBJVOW-HNNXBMFYSA-N 1 0 343.471 2.208 20 70 EEIDRO Cc1ccc(CNC(=O)[C@H](C)N2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000161385868 539526991 /nfs/dbraw/zinc/52/69/91/539526991.db2.gz UHJAEYMBCZRTKS-KRWDZBQOSA-N 1 0 338.455 2.217 20 70 EEIDRO Cc1ccc(NC(=O)N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)cn1 ZINC000161471558 539527963 /nfs/dbraw/zinc/52/79/63/539527963.db2.gz NVSMRYNDMGNHDA-IRXDYDNUSA-N 1 0 345.491 2.412 20 70 EEIDRO C[NH+]1CCC(CCNC(=O)Nc2ccc(C(C)(C)C(N)=O)cc2)CC1 ZINC000160092508 143807797 /nfs/dbraw/zinc/80/77/97/143807797.db2.gz JNWQPSUKMDOJEL-UHFFFAOYSA-N 1 0 346.475 2.303 20 70 EEIDRO [NH3+]C1(CNC(=O)[C@@H]2CCCN2C(=O)c2cccs2)CCCCC1 ZINC000159735466 225268289 /nfs/dbraw/zinc/26/82/89/225268289.db2.gz DCJHKUKXNFOIGN-ZDUSSCGKSA-N 1 0 335.473 2.131 20 70 EEIDRO Cc1cccc([C@@H]2CCC[N@@H+]2CCN2C(=O)NC3(CCCC3)C2=O)n1 ZINC000160025198 281252570 /nfs/dbraw/zinc/25/25/70/281252570.db2.gz RFNPIYBUWXWSMU-INIZCTEOSA-N 1 0 342.443 2.392 20 70 EEIDRO COCCNc1ccc(CNC(=O)N2CC[N@H+](C)C[C@H]2C(C)C)cc1 ZINC000159490169 311342181 /nfs/dbraw/zinc/34/21/81/311342181.db2.gz RYFDQNQJZCGFBF-SFHVURJKSA-N 1 0 348.491 2.227 20 70 EEIDRO C[NH+]1CCC(CNC(=O)Nc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000160175543 311350932 /nfs/dbraw/zinc/35/09/32/311350932.db2.gz UEXMVGWGBVWJMK-KRWDZBQOSA-N 1 0 333.432 2.318 20 70 EEIDRO CC(C)(CNC(=O)Nc1ccnn1C[C@@H]1CCOC1)[NH+]1CCCCC1 ZINC000159490066 463289125 /nfs/dbraw/zinc/28/91/25/463289125.db2.gz XAPIMAACHBNRAK-HNNXBMFYSA-N 1 0 349.479 2.306 20 70 EEIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](c2nc(C3CC3)no2)C(C)C)CC1 ZINC000159812840 463306625 /nfs/dbraw/zinc/30/66/25/463306625.db2.gz XZNONAHUGQQALV-CQSZACIVSA-N 1 0 335.452 2.381 20 70 EEIDRO C[C@@H](NC(=O)Nc1ccnn1C[C@@H]1CCOC1)C(C)(C)C[NH+](C)C ZINC000159906908 463310704 /nfs/dbraw/zinc/31/07/04/463310704.db2.gz YTYSRHWYFHTWBV-KGLIPLIRSA-N 1 0 337.468 2.017 20 70 EEIDRO CC(C)(C(N)=O)c1ccc(NC(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000159934222 463311583 /nfs/dbraw/zinc/31/15/83/463311583.db2.gz BFWOIRBMDHXTCR-UHFFFAOYSA-N 1 0 344.459 2.198 20 70 EEIDRO CC(C)(C)C(=O)N1CCC(C[NH+]2CCC(c3nnc[nH]3)CC2)CC1 ZINC000160093108 463318788 /nfs/dbraw/zinc/31/87/88/463318788.db2.gz CJLODNIVYSATHH-UHFFFAOYSA-N 1 0 333.480 2.269 20 70 EEIDRO CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000160146864 463320816 /nfs/dbraw/zinc/32/08/16/463320816.db2.gz RPULQHCDDUXSGQ-KBPBESRZSA-N 1 0 340.489 2.388 20 70 EEIDRO Cc1ccc(N2CC[C@H]([N@@H+]3CCC[C@H](CCC(N)=O)C3)C2=O)cc1 ZINC000160332213 463328782 /nfs/dbraw/zinc/32/87/82/463328782.db2.gz PIASGNDQDPKRNJ-WBVHZDCISA-N 1 0 329.444 2.078 20 70 EEIDRO Cc1nc2n(n1)C[C@@H]([NH2+]C1CCN(CCc3ccccc3)CC1)CC2 ZINC000160385708 463332618 /nfs/dbraw/zinc/33/26/18/463332618.db2.gz XTHVEHXICKOBJJ-IBGZPJMESA-N 1 0 339.487 2.198 20 70 EEIDRO C[C@H]1C[C@@H](NC(=O)N(C)CCn2cccn2)C[N@@H+]1Cc1ccccc1 ZINC000160404204 463335832 /nfs/dbraw/zinc/33/58/32/463335832.db2.gz CCSVCFCTMGJUMO-FUHWJXTLSA-N 1 0 341.459 2.188 20 70 EEIDRO COc1ccc([C@H](C)[C@H](C)[NH2+]C2CCN(CC(=O)N(C)C)CC2)cc1 ZINC000160408853 463336070 /nfs/dbraw/zinc/33/60/70/463336070.db2.gz FXRZAUALTVBNMV-CVEARBPZSA-N 1 0 347.503 2.329 20 70 EEIDRO COc1cccc(OC)c1CC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000160489695 463343411 /nfs/dbraw/zinc/34/34/11/463343411.db2.gz AOSMWQJEDGUAMI-OAHLLOKOSA-N 1 0 334.460 2.483 20 70 EEIDRO O=C(NCC[NH+]1CCCCC1)c1ccnc(OCC(F)(F)F)c1 ZINC000160573017 463351419 /nfs/dbraw/zinc/35/14/19/463351419.db2.gz HMXRCABTBYSXIG-UHFFFAOYSA-N 1 0 331.338 2.238 20 70 EEIDRO O=C(Cc1ccc(F)cc1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160598761 463353713 /nfs/dbraw/zinc/35/37/13/463353713.db2.gz TVDNIRNZQGQDIA-ZWKOTPCHSA-N 1 0 334.435 2.252 20 70 EEIDRO C[N@H+](CC(=O)NC1CC1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160668313 463360163 /nfs/dbraw/zinc/36/01/63/463360163.db2.gz HMSYWMJTKUGAJY-YIONKMFJSA-N 1 0 337.464 2.127 20 70 EEIDRO CC(C)CC(=O)NCCC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000160674656 463361183 /nfs/dbraw/zinc/36/11/83/463361183.db2.gz AVZTXPNFDVZMNT-IYBDPMFKSA-N 1 0 325.497 2.023 20 70 EEIDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cnc2c(c1)ncn2C ZINC000160949213 463385011 /nfs/dbraw/zinc/38/50/11/463385011.db2.gz KWYIDVHIMHNUTL-HNNXBMFYSA-N 1 0 329.448 2.209 20 70 EEIDRO Cc1cc([C@@H](C)[NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)c(C)s1 ZINC000160960788 463386535 /nfs/dbraw/zinc/38/65/35/463386535.db2.gz YRWAUYBDXQQDDW-GFCCVEGCSA-N 1 0 345.468 2.431 20 70 EEIDRO Cc1ccsc1[C@H](C)[NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1 ZINC000160986896 463388818 /nfs/dbraw/zinc/38/88/18/463388818.db2.gz RGYOAQCIGOLSLK-LBPRGKRZSA-N 1 0 331.441 2.122 20 70 EEIDRO CC[C@H]([NH3+])C(=O)Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1 ZINC000161007587 463390634 /nfs/dbraw/zinc/39/06/34/463390634.db2.gz WZRUUECPBAZNRN-KRWDZBQOSA-N 1 0 346.452 2.477 20 70 EEIDRO Cc1conc1NC(=O)C(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000161129519 463402078 /nfs/dbraw/zinc/40/20/78/463402078.db2.gz PPUMQNOQRCFWRJ-OAHLLOKOSA-N 1 0 348.447 2.082 20 70 EEIDRO COCCC[NH+]1CCC(NC(=O)c2cncc(OC(C)C)c2)CC1 ZINC000161179595 463408055 /nfs/dbraw/zinc/40/80/55/463408055.db2.gz LJLFSJZOQMIGAJ-UHFFFAOYSA-N 1 0 335.448 2.100 20 70 EEIDRO CC[N@@H+]1CCCN(C(=O)Nc2cccc(-c3ncn(C)n3)c2)CC1 ZINC000161421253 463429801 /nfs/dbraw/zinc/42/98/01/463429801.db2.gz BJTJZQZAFYCZTH-UHFFFAOYSA-N 1 0 328.420 2.042 20 70 EEIDRO CCC(=O)N1CC[C@H](C(=O)N(CC)Cc2ccc(C[NH+](C)C)cc2)C1 ZINC000161495243 463434944 /nfs/dbraw/zinc/43/49/44/463434944.db2.gz OZVXHIVJNGXUIX-SFHVURJKSA-N 1 0 345.487 2.355 20 70 EEIDRO C[C@@H](O)C[C@H](C)CNC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000159926948 533754747 /nfs/dbraw/zinc/75/47/47/533754747.db2.gz DYNYOTOLHMPRNQ-LHHMISFZSA-N 1 0 333.476 2.213 20 70 EEIDRO CC[C@H](C)Oc1ccc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000160360884 529193174 /nfs/dbraw/zinc/19/31/74/529193174.db2.gz ABKXUTADSXNCAD-DOTOQJQBSA-N 1 0 334.460 2.441 20 70 EEIDRO O=C(CCc1cc(Cl)cs1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160086431 237229541 /nfs/dbraw/zinc/22/95/41/237229541.db2.gz FOTSDYGDOHCUEI-ZDUSSCGKSA-N 1 0 330.881 2.297 20 70 EEIDRO COc1ccc2c(c1)C[C@H](C(=O)N1CCC([NH2+]CC3CC3)CC1)CO2 ZINC000159818405 533267456 /nfs/dbraw/zinc/26/74/56/533267456.db2.gz SDQCNSVXNOFDBN-INIZCTEOSA-N 1 0 344.455 2.237 20 70 EEIDRO COc1cccc(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)c1OC(F)F ZINC000159379224 533402048 /nfs/dbraw/zinc/40/20/48/533402048.db2.gz YKKZHGQBFLPXNY-MRXNPFEDSA-N 1 0 326.343 2.122 20 70 EEIDRO C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000159473849 533649255 /nfs/dbraw/zinc/64/92/55/533649255.db2.gz KNTOTPQCXLMMHD-NEPJUHHUSA-N 1 0 343.265 2.109 20 70 EEIDRO C[C@H]1OCCN(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)[C@@H]1C ZINC000159829395 143803404 /nfs/dbraw/zinc/80/34/04/143803404.db2.gz XKGNBVVRDVIGIX-HZPDHXFCSA-N 1 0 331.460 2.254 20 70 EEIDRO C[C@@H](NC(=O)CN1CCC[C@@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000217524322 160216063 /nfs/dbraw/zinc/21/60/63/160216063.db2.gz JPFQXCCUAMUXNR-BXUZGUMPSA-N 1 0 340.265 2.049 20 70 EEIDRO C[NH+](C)CCN(Cc1ccco1)C(=O)c1ncn(-c2ccccc2)n1 ZINC000159511262 225231082 /nfs/dbraw/zinc/23/10/82/225231082.db2.gz RVWCELQZTDMBRU-UHFFFAOYSA-N 1 0 339.399 2.064 20 70 EEIDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cccc(-n2ccnn2)c1 ZINC000159710714 225265298 /nfs/dbraw/zinc/26/52/98/225265298.db2.gz DUOUVXSWZAZBCT-OAHLLOKOSA-N 1 0 327.432 2.262 20 70 EEIDRO Cc1cc(C(=O)NC[C@H]2CC[N@@H+](C)C2)nn1-c1ccc(F)cc1F ZINC000160110981 225339988 /nfs/dbraw/zinc/33/99/88/225339988.db2.gz DEDIGEMOKHBNLA-GFCCVEGCSA-N 1 0 334.370 2.140 20 70 EEIDRO O=C(CCOc1ccc(Cl)cc1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160145484 225348089 /nfs/dbraw/zinc/34/80/89/225348089.db2.gz DHCZWAUFJRRROL-OAHLLOKOSA-N 1 0 340.851 2.072 20 70 EEIDRO CC(C)OC(=O)CCCNC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000160102332 277666649 /nfs/dbraw/zinc/66/66/49/277666649.db2.gz ZXKLGFSFWORAIK-UHFFFAOYSA-N 1 0 339.480 2.378 20 70 EEIDRO CO[C@H]1CCN(C(=O)c2ccc(Br)cc2)[C@@H](C[NH3+])C1 ZINC000161093052 277741866 /nfs/dbraw/zinc/74/18/66/277741866.db2.gz LTTRWYPFHAZVPQ-OLZOCXBDSA-N 1 0 327.222 2.027 20 70 EEIDRO Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NCC[NH2+]C1CCCCCC1 ZINC000159674539 279071254 /nfs/dbraw/zinc/07/12/54/279071254.db2.gz CORIDUSQXGQIJA-UHFFFAOYSA-N 1 0 348.491 2.418 20 70 EEIDRO CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)NCC(C)(C)[NH3+])CC1=O ZINC000160016764 280129178 /nfs/dbraw/zinc/12/91/78/280129178.db2.gz YRVIVLRROHZXQU-ZIAGYGMSSA-N 1 0 331.460 2.407 20 70 EEIDRO Cc1cc(C(=O)N2CC[NH2+]CC2)c2ccc(Br)cc2n1 ZINC000159409623 280331107 /nfs/dbraw/zinc/33/11/07/280331107.db2.gz KXRDVUYCUVIBCB-UHFFFAOYSA-N 1 0 334.217 2.351 20 70 EEIDRO CC(=O)Nc1ccccc1C[NH2+]CCC(=O)Nc1ccc(C)cn1 ZINC000160452377 311354386 /nfs/dbraw/zinc/35/43/86/311354386.db2.gz OIEVPKYDDAJODX-UHFFFAOYSA-N 1 0 326.400 2.467 20 70 EEIDRO Cc1cccc(-n2cc(C(=O)NC[C@@H](C)C[NH+]3CCCCC3)nn2)c1 ZINC000160692857 311357563 /nfs/dbraw/zinc/35/75/63/311357563.db2.gz CHGVFYGOFLRHPO-MRXNPFEDSA-N 1 0 341.459 2.428 20 70 EEIDRO C[N@H+](CCNC(=O)c1cccc2[nH]c(=O)oc21)Cc1ccc(F)cc1 ZINC000160904738 311359659 /nfs/dbraw/zinc/35/96/59/311359659.db2.gz BHEUKPDLURMIJE-UHFFFAOYSA-N 1 0 343.358 2.122 20 70 EEIDRO Cc1noc(C)c1CCNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000159363646 463281269 /nfs/dbraw/zinc/28/12/69/463281269.db2.gz WENNMFQWSVSPPP-MRXNPFEDSA-N 1 0 334.464 2.494 20 70 EEIDRO Cc1cc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)ccc1F ZINC000159402469 463284800 /nfs/dbraw/zinc/28/48/00/463284800.db2.gz YLQGWRFVFXAXRR-CQSZACIVSA-N 1 0 335.423 2.167 20 70 EEIDRO O=C(CC[N@@H+]1CC[C@@H]2CCCC[C@@H]21)N1CCN(c2ccccn2)CC1 ZINC000159692134 463300049 /nfs/dbraw/zinc/30/00/49/463300049.db2.gz SBPMVUKDCFVQDN-ROUUACIJSA-N 1 0 342.487 2.385 20 70 EEIDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCC1(O)CCCC1 ZINC000159935316 463311658 /nfs/dbraw/zinc/31/16/58/463311658.db2.gz ZGEZDCLNGGOVLU-WBVHZDCISA-N 1 0 331.460 2.111 20 70 EEIDRO [NH3+]C[C@@H]1CCCN1C(=O)c1cccc(-n2nccc2C(F)(F)F)c1 ZINC000160389607 463333089 /nfs/dbraw/zinc/33/30/89/463333089.db2.gz ICKZFCYSXFYIDG-ZDUSSCGKSA-N 1 0 338.333 2.454 20 70 EEIDRO Cn1ncc2c1CCC[C@H]2[NH2+]Cc1ccccc1CN1CCOCC1 ZINC000160503699 463344269 /nfs/dbraw/zinc/34/42/69/463344269.db2.gz XNFIWZWRFJTGAA-LJQANCHMSA-N 1 0 340.471 2.420 20 70 EEIDRO C[C@@H]1CCc2c(C(=O)NC[C@@H](O)C[NH+]3CCCCC3)csc2C1 ZINC000160496696 463344687 /nfs/dbraw/zinc/34/46/87/463344687.db2.gz XOPWQXOHGOKLOE-ZIAGYGMSSA-N 1 0 336.501 2.450 20 70 EEIDRO O=C(Cc1c(Cl)cccc1Cl)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160527279 463347010 /nfs/dbraw/zinc/34/70/10/463347010.db2.gz PHKWCWPLNUIXOE-GFCCVEGCSA-N 1 0 345.270 2.499 20 70 EEIDRO Cc1ccc(CC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)s1 ZINC000160539891 463348406 /nfs/dbraw/zinc/34/84/06/463348406.db2.gz ZXTVJGGXFAHKFQ-IAGOWNOFSA-N 1 0 336.501 2.483 20 70 EEIDRO CC[C@@H](C)C[N@H+](CC)[C@@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000160567395 463349881 /nfs/dbraw/zinc/34/98/81/463349881.db2.gz WQJBGFBOIHUSAA-OLZOCXBDSA-N 1 0 341.477 2.029 20 70 EEIDRO C[C@@]1(O)CCCN(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000160631485 463357835 /nfs/dbraw/zinc/35/78/35/463357835.db2.gz BXBCEWPKGPHVMP-LJQANCHMSA-N 1 0 349.450 2.347 20 70 EEIDRO CC(C)c1cccc(O[C@H](C)C(=O)NCC2CC[NH+](CCO)CC2)c1 ZINC000160723987 463365811 /nfs/dbraw/zinc/36/58/11/463365811.db2.gz BWLGVMFFJVMVPQ-MRXNPFEDSA-N 1 0 348.487 2.398 20 70 EEIDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc2[nH]c(=O)n(C)c2c1 ZINC000160945258 463385447 /nfs/dbraw/zinc/38/54/47/463385447.db2.gz VNOPEHXPSPUVGE-UHFFFAOYSA-N 1 0 338.411 2.489 20 70 EEIDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](CCO)c2ccccc2)cc1 ZINC000161094149 463398186 /nfs/dbraw/zinc/39/81/86/463398186.db2.gz NSTVJGMWXDEGJO-KBXCAEBGSA-N 1 0 348.468 2.369 20 70 EEIDRO C[C@@H](CNC(=O)Nc1ccc(-c2ncn(C)n2)cc1)C[NH+]1CCCC1 ZINC000161136634 463402911 /nfs/dbraw/zinc/40/29/11/463402911.db2.gz SPSVATYIEFRTHR-AWEZNQCLSA-N 1 0 342.447 2.336 20 70 EEIDRO C[NH2+]C[C@H]1CCCN1C(=O)CCOc1ccccc1Br ZINC000161161798 463405559 /nfs/dbraw/zinc/40/55/59/463405559.db2.gz IZKREWYYWZBJOL-GFCCVEGCSA-N 1 0 341.249 2.428 20 70 EEIDRO CSCc1nc2ccccc2n1CC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161212457 463410082 /nfs/dbraw/zinc/41/00/82/463410082.db2.gz UMVJLMDUDJTZKN-STQMWFEESA-N 1 0 332.473 2.285 20 70 EEIDRO CCC(=O)N1CC[C@H](C(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)C1 ZINC000161339238 463421645 /nfs/dbraw/zinc/42/16/45/463421645.db2.gz QGMMBEUDSBYCCB-HOTGVXAUSA-N 1 0 347.459 2.100 20 70 EEIDRO CC[C@@H]1Oc2cc([C@@H](C)NC(=O)[C@@H]3CCC[C@@H]3[NH3+])ccc2NC1=O ZINC000161364937 463425191 /nfs/dbraw/zinc/42/51/91/463425191.db2.gz OHXOUSNHJKLFPA-PBOSXPJTSA-N 1 0 331.416 2.101 20 70 EEIDRO CC[C@H]1Oc2cc([C@@H](C)NC(=O)C3(C[NH3+])CCCC3)ccc2NC1=O ZINC000161368853 463425400 /nfs/dbraw/zinc/42/54/00/463425400.db2.gz HVLDWDZXUFIFMC-IUODEOHRSA-N 1 0 345.443 2.492 20 70 EEIDRO CC[C@H]1Oc2cc([C@@H](C)NC(=O)[C@@H]3CCC[C@@H]3[NH3+])ccc2NC1=O ZINC000161364809 463425532 /nfs/dbraw/zinc/42/55/32/463425532.db2.gz OHXOUSNHJKLFPA-IKVITTDRSA-N 1 0 331.416 2.101 20 70 EEIDRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1cccc(=O)n1C ZINC000159761339 528156683 /nfs/dbraw/zinc/15/66/83/528156683.db2.gz OLUYGAKKTVBTEH-UHFFFAOYSA-N 1 0 343.427 2.358 20 70 EEIDRO CC(C)N(CC[NH+](C)C)C(=O)NCCOc1ncccc1Cl ZINC000159674268 528895106 /nfs/dbraw/zinc/89/51/06/528895106.db2.gz WKNOSWBIBNQXBR-UHFFFAOYSA-N 1 0 328.844 2.095 20 70 EEIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc3c(c1)OCCCO3)CC2 ZINC000160421339 282117451 /nfs/dbraw/zinc/11/74/51/282117451.db2.gz WWYHYCFKAIAKKQ-WFASDCNBSA-N 1 0 328.416 2.413 20 70 EEIDRO C[C@H]([NH2+]CCc1ccc2c(c1)OCO2)c1cccc(-n2cnnn2)c1 ZINC000161107996 539525122 /nfs/dbraw/zinc/52/51/22/539525122.db2.gz MFKYXXKLKNVYSP-ZDUSSCGKSA-N 1 0 337.383 2.284 20 70 EEIDRO C[C@H](C(=O)NCc1ccccc1OCCO)[C@H]([NH3+])c1ccccc1 ZINC000159808604 237223491 /nfs/dbraw/zinc/22/34/91/237223491.db2.gz VFBLHJKLPFMFAZ-KSSFIOAISA-N 1 0 328.412 2.010 20 70 EEIDRO C[C@H](CC(=O)NCc1cc(=O)[nH]c2ccccc12)C1CC[NH2+]CC1 ZINC000161048492 255801904 /nfs/dbraw/zinc/80/19/04/255801904.db2.gz OLMVQKXXJJWHIL-CYBMUJFWSA-N 1 0 327.428 2.170 20 70 EEIDRO COc1cccc(-c2nc(C)c(C(=O)NC3CC[NH+](C)CC3)[nH]2)c1 ZINC000160245874 533371981 /nfs/dbraw/zinc/37/19/81/533371981.db2.gz RQNZGDWUYWLWRE-UHFFFAOYSA-N 1 0 328.416 2.218 20 70 EEIDRO COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159507694 225230306 /nfs/dbraw/zinc/23/03/06/225230306.db2.gz FVKJDZAZTPZMRE-IVSAIRAKSA-N 1 0 334.460 2.354 20 70 EEIDRO Cc1cc(NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)O)ccc1Br ZINC000159574402 225241530 /nfs/dbraw/zinc/24/15/30/225241530.db2.gz DRDBJENCRHGQNT-GHMZBOCLSA-N 1 0 329.238 2.397 20 70 EEIDRO C[C@H](Oc1cccc(Br)c1)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000160323184 273985045 /nfs/dbraw/zinc/98/50/45/273985045.db2.gz URSSEBSKQOZCLE-CMPLNLGQSA-N 1 0 327.222 2.166 20 70 EEIDRO CC(C)c1ccc(OCCNC(=O)C[N@H+](C)C[C@H]2CCC[C@@H]2O)cc1 ZINC000159479862 311342135 /nfs/dbraw/zinc/34/21/35/311342135.db2.gz ZUPIKPOAYHMBON-MJGOQNOKSA-N 1 0 348.487 2.398 20 70 EEIDRO CCCNC(=O)Nc1ccc(CC(=O)N2CC[NH+](C(C)C)CC2)cc1 ZINC000159888623 311347445 /nfs/dbraw/zinc/34/74/45/311347445.db2.gz HKVUHEWOXCMJSV-UHFFFAOYSA-N 1 0 346.475 2.313 20 70 EEIDRO CCn1cc(NC(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)cn1 ZINC000161484872 311366617 /nfs/dbraw/zinc/36/66/17/311366617.db2.gz UZVKIPSXFJUNGY-UHFFFAOYSA-N 1 0 349.479 2.259 20 70 EEIDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2CSc2nc[nH]n2)C1 ZINC000159509499 463290171 /nfs/dbraw/zinc/29/01/71/463290171.db2.gz JUMWQKPMWLHMOP-ZDUSSCGKSA-N 1 0 345.472 2.169 20 70 EEIDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NCCc1ccc(F)cc1F ZINC000159752661 463302645 /nfs/dbraw/zinc/30/26/45/463302645.db2.gz AZBSSHYVQQUUPK-MRXNPFEDSA-N 1 0 325.403 2.489 20 70 EEIDRO CC(C)N(CC[NH+](C)C)C(=O)N[C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000159780273 463303897 /nfs/dbraw/zinc/30/38/97/463303897.db2.gz VLPWDAWXJUWRIM-ZBFHGGJFSA-N 1 0 329.510 2.023 20 70 EEIDRO C[C@@H]1C[NH+](CCCNC(=O)NC[C@]2(C)CCCS2)C[C@@H](C)O1 ZINC000159810017 463306699 /nfs/dbraw/zinc/30/66/99/463306699.db2.gz KIUSIVZWEQXBIY-FMKPAKJESA-N 1 0 329.510 2.071 20 70 EEIDRO CC[C@H](C)[N@H+](C)CCNC(=O)Nc1ccc(C(C)(C)C(N)=O)cc1 ZINC000159848277 463307770 /nfs/dbraw/zinc/30/77/70/463307770.db2.gz SLPCRAFHJPUNMV-ZDUSSCGKSA-N 1 0 334.464 2.301 20 70 EEIDRO C[NH+](C)CCOc1ccc(NC(=O)[C@H]2CCn3ccnc3C2)cc1 ZINC000160227978 463323860 /nfs/dbraw/zinc/32/38/60/463323860.db2.gz VSTSTZCTADURCM-AWEZNQCLSA-N 1 0 328.416 2.025 20 70 EEIDRO CCOc1ccc(/C=C/C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1OC ZINC000160341262 463330514 /nfs/dbraw/zinc/33/05/14/463330514.db2.gz HEEVNYAZQNXGLQ-NTGJLGNYSA-N 1 0 330.428 2.460 20 70 EEIDRO C[C@@H](C(=O)N1CCC(N2CCCCC2=O)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000160498512 463343892 /nfs/dbraw/zinc/34/38/92/463343892.db2.gz XLAJUGZCFXRBNL-XHSDSOJGSA-N 1 0 335.492 2.251 20 70 EEIDRO COc1cc(C)c([C@@H](C)[NH2+]CC(=O)NCC(F)(F)F)cc1OC ZINC000160533041 463347989 /nfs/dbraw/zinc/34/79/89/463347989.db2.gz VIHDZRIZIRHMDR-SNVBAGLBSA-N 1 0 334.338 2.341 20 70 EEIDRO Cc1nc(-c2ccco2)ccc1C(=O)NCC1CC[NH+](CCO)CC1 ZINC000160534682 463348227 /nfs/dbraw/zinc/34/82/27/463348227.db2.gz FCOBLOHZHWCECX-UHFFFAOYSA-N 1 0 343.427 2.084 20 70 EEIDRO COC(C[NH+]1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1)OC ZINC000160576749 463351442 /nfs/dbraw/zinc/35/14/42/463351442.db2.gz UQIYILJCJYFOMW-UHFFFAOYSA-N 1 0 338.423 2.081 20 70 EEIDRO CC(C)S(=O)(=O)CCCN1CCCN(Cc2ccccc2)CC1 ZINC000160628846 463356122 /nfs/dbraw/zinc/35/61/22/463356122.db2.gz CZPZLLTTYIUWNF-UHFFFAOYSA-N 1 0 338.517 2.408 20 70 EEIDRO CC(C)N(C[C@H](C)O)C(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000160844238 463375807 /nfs/dbraw/zinc/37/58/07/463375807.db2.gz FXBPJZMILYSBOR-HOTGVXAUSA-N 1 0 333.476 2.234 20 70 EEIDRO CC(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1 ZINC000160980405 463387434 /nfs/dbraw/zinc/38/74/34/463387434.db2.gz ANGSNUBJBKDBDO-DLBZAZTESA-N 1 0 331.460 2.206 20 70 EEIDRO CC[C@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)c1cccs1 ZINC000160983553 463388376 /nfs/dbraw/zinc/38/83/76/463388376.db2.gz YWEZBGTXZPLQEH-AWEZNQCLSA-N 1 0 331.441 2.204 20 70 EEIDRO CCc1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)s1 ZINC000161035471 463392599 /nfs/dbraw/zinc/39/25/99/463392599.db2.gz GXUKNOZLXRLXRE-LBPRGKRZSA-N 1 0 345.468 2.376 20 70 EEIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)CCC(=O)CCC(=O)c2cccs2)C1 ZINC000161077054 463397127 /nfs/dbraw/zinc/39/71/27/463397127.db2.gz GWTHEQQGEYKIHJ-QWHCGFSZSA-N 1 0 336.457 2.446 20 70 EEIDRO CCC(CC)(C[NH3+])C(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000161240123 463413087 /nfs/dbraw/zinc/41/30/87/463413087.db2.gz VHLPDECOZDAJCF-AWEZNQCLSA-N 1 0 337.851 2.327 20 70 EEIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000161262657 463414679 /nfs/dbraw/zinc/41/46/79/463414679.db2.gz XTUSYTOZKBVXIM-HNNXBMFYSA-N 1 0 326.400 2.438 20 70 EEIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(CNC(=O)C2CCCC2)cc1 ZINC000161287118 463416964 /nfs/dbraw/zinc/41/69/64/463416964.db2.gz LAZPGYYOLRRFCT-SFHVURJKSA-N 1 0 343.471 2.317 20 70 EEIDRO CC[C@@H]1Oc2cc([C@H](C)NC(=O)[C@@H]([NH3+])C(C)(C)C)ccc2NC1=O ZINC000161376220 463426915 /nfs/dbraw/zinc/42/69/15/463426915.db2.gz QGYCFMHOARNEOQ-VZJVUDMVSA-N 1 0 333.432 2.347 20 70 EEIDRO COc1ccc(OC)c(/C=C/C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000161443252 463430585 /nfs/dbraw/zinc/43/05/85/463430585.db2.gz FOFGNMHYHVWWPN-IJPFOWQRSA-N 1 0 330.428 2.458 20 70 EEIDRO OC[C@@H](Cc1c[nH]c2ccccc12)[NH2+]C1CCC2(CC1)OCCO2 ZINC000161495560 463434011 /nfs/dbraw/zinc/43/40/11/463434011.db2.gz WIDCRDXRNFJJCM-MRXNPFEDSA-N 1 0 330.428 2.347 20 70 EEIDRO CC[NH+]1CCN(CCCNC(=O)[C@H]2C[C@@H]2c2sccc2C)CC1 ZINC000161498904 463434025 /nfs/dbraw/zinc/43/40/25/463434025.db2.gz JWIBICNTVLSSHK-HOTGVXAUSA-N 1 0 335.517 2.304 20 70 EEIDRO C[C@@H](Oc1cccc(Br)c1)C(=O)N1CCC[NH2+]CC1 ZINC000160860246 533939015 /nfs/dbraw/zinc/93/90/15/533939015.db2.gz ICWSMWOHKDBAQV-LLVKDONJSA-N 1 0 327.222 2.038 20 70 EEIDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccccc2Cl)C1 ZINC000159466812 528024209 /nfs/dbraw/zinc/02/42/09/528024209.db2.gz LTNCVFWPQUWWRQ-CYBMUJFWSA-N 1 0 337.851 2.373 20 70 EEIDRO CCC[C@H]1CN(C(=O)NCc2cccc(OCC[NH+](C)C)c2)CCO1 ZINC000160150162 528395036 /nfs/dbraw/zinc/39/50/36/528395036.db2.gz DBQCRBRVRBRUJV-SFHVURJKSA-N 1 0 349.475 2.338 20 70 EEIDRO CC(C)[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000160315402 528570619 /nfs/dbraw/zinc/57/06/19/528570619.db2.gz ZNGMAOGXYPMQOH-IAGOWNOFSA-N 1 0 345.487 2.298 20 70 EEIDRO CC[N@@H+]1CCCN(C(=O)NC[C@H](C)Oc2ccc(OC)cc2)CC1 ZINC000159922672 529027561 /nfs/dbraw/zinc/02/75/61/529027561.db2.gz UKDWTZBRERWAGM-HNNXBMFYSA-N 1 0 335.448 2.200 20 70 EEIDRO [NH3+]CCCNC(=O)c1cc(I)ccc1Cl ZINC000160067057 237231032 /nfs/dbraw/zinc/23/10/32/237231032.db2.gz RISYTMKZXAXZAP-UHFFFAOYSA-N 1 0 338.576 2.023 20 70 EEIDRO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000160259219 237237096 /nfs/dbraw/zinc/23/70/96/237237096.db2.gz MOJBPEOSERTRKZ-OAHLLOKOSA-N 1 0 332.835 2.375 20 70 EEIDRO COc1ccc([C@@H](C)[C@@H](C)[NH2+]C2CCN(CC(=O)N(C)C)CC2)cc1 ZINC000160408730 533116983 /nfs/dbraw/zinc/11/69/83/533116983.db2.gz FXRZAUALTVBNMV-JKSUJKDBSA-N 1 0 347.503 2.329 20 70 EEIDRO COCCN(C(=O)[C@H]1CCC[C@H]([NH3+])C1)c1ccc(OC)c(OC)c1 ZINC000160970469 292401771 /nfs/dbraw/zinc/40/17/71/292401771.db2.gz GPHBTNGTHKWFTN-KBPBESRZSA-N 1 0 336.432 2.201 20 70 EEIDRO CCc1cc(N2CCC[C@H]([NH2+]C3CCC4(CC3)OCCO4)C2)ncn1 ZINC000161437810 159725473 /nfs/dbraw/zinc/72/54/73/159725473.db2.gz ILBIHFBVWPSAES-KRWDZBQOSA-N 1 0 346.475 2.283 20 70 EEIDRO CN(C[C@@H]1CCC[C@@H]1O)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000159716766 225263929 /nfs/dbraw/zinc/26/39/29/225263929.db2.gz LQFUFTPVBUVHNW-UAGQMJEPSA-N 1 0 337.439 2.231 20 70 EEIDRO COc1ccc(CN(C(=O)C[N@H+](C)C[C@H]2CCC[C@@H]2O)C2CC2)cc1 ZINC000159843303 225287571 /nfs/dbraw/zinc/28/75/71/225287571.db2.gz FVIQBKQGSFVWKZ-APWZRJJASA-N 1 0 346.471 2.279 20 70 EEIDRO COc1ccc([C@@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)c(OC)c1 ZINC000160258254 225374196 /nfs/dbraw/zinc/37/41/96/225374196.db2.gz MXMGENVSAGHASX-OAHLLOKOSA-N 1 0 335.492 2.380 20 70 EEIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(N3CCOC3=O)cc1)CC2 ZINC000160346113 225392247 /nfs/dbraw/zinc/39/22/47/225392247.db2.gz QEBDPGSTSVCFAP-SWLSCSKDSA-N 1 0 341.415 2.209 20 70 EEIDRO Cc1ccc(NC(=O)C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cn1 ZINC000160089102 225335398 /nfs/dbraw/zinc/33/53/98/225335398.db2.gz GLDBTOOIUURFEY-GASCZTMLSA-N 1 0 346.475 2.203 20 70 EEIDRO [NH3+]CCCC(=O)N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000161332891 225605200 /nfs/dbraw/zinc/60/52/00/225605200.db2.gz MRGNXVLJEGOTSV-UHFFFAOYSA-N 1 0 343.471 2.155 20 70 EEIDRO COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3nc(C)nn3C1)CCCO2 ZINC000160324208 273985010 /nfs/dbraw/zinc/98/50/10/273985010.db2.gz BNSCDABFSRMIDA-CZUORRHYSA-N 1 0 328.416 2.413 20 70 EEIDRO CC(C)[C@H](NC(=O)c1ccco1)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000159714041 280319528 /nfs/dbraw/zinc/31/95/28/280319528.db2.gz DXZXWCMUKXPUBQ-KRWDZBQOSA-N 1 0 349.475 2.463 20 70 EEIDRO [NH3+]CCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000160139056 295231348 /nfs/dbraw/zinc/23/13/48/295231348.db2.gz QZNLUMWPYPIYEH-ZDUSSCGKSA-N 1 0 344.242 2.063 20 70 EEIDRO CCC(CC)(C[NH2+]CC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C)C(=O)OC ZINC000159661861 311344298 /nfs/dbraw/zinc/34/42/98/311344298.db2.gz VMFKDEMBEQXPAQ-QLFBSQMISA-N 1 0 326.481 2.496 20 70 EEIDRO CCN(CC(=O)Nc1ccccc1OC(F)F)Cc1cnn(C)c1 ZINC000161090690 311361666 /nfs/dbraw/zinc/36/16/66/311361666.db2.gz TWSDRLLMVDCJMI-UHFFFAOYSA-N 1 0 338.358 2.482 20 70 EEIDRO CCOC(=O)C1(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)CCC1 ZINC000159661608 463297757 /nfs/dbraw/zinc/29/77/57/463297757.db2.gz NAFQFZOBKZBSIG-OAHLLOKOSA-N 1 0 336.407 2.278 20 70 EEIDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Nc1ccnn1C[C@@H]1CCOC1 ZINC000159673212 463298803 /nfs/dbraw/zinc/29/88/03/463298803.db2.gz UNCQZUJBHIZNFT-JKSUJKDBSA-N 1 0 349.479 2.258 20 70 EEIDRO O=C(c1cccs1)N1CCCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159780882 463304070 /nfs/dbraw/zinc/30/40/70/463304070.db2.gz DTRNIYJSADIHKB-QLFBSQMISA-N 1 0 347.484 2.096 20 70 EEIDRO Cc1nc(CCNC(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)sc1C ZINC000160090770 463318831 /nfs/dbraw/zinc/31/88/31/463318831.db2.gz NZSKJKZPTBLQIH-INIZCTEOSA-N 1 0 339.505 2.212 20 70 EEIDRO Cc1nc2n(n1)C[C@H]([NH2+]C1CCN(CCc3ccccc3)CC1)CC2 ZINC000160385582 463332738 /nfs/dbraw/zinc/33/27/38/463332738.db2.gz XTHVEHXICKOBJJ-LJQANCHMSA-N 1 0 339.487 2.198 20 70 EEIDRO COC[C@H](NC(=O)Nc1ccc(C)cc1OCC[NH+](C)C)C1CC1 ZINC000160461929 463341185 /nfs/dbraw/zinc/34/11/85/463341185.db2.gz LRFMGXCSYXVQTN-INIZCTEOSA-N 1 0 335.448 2.482 20 70 EEIDRO CCOc1ccccc1N1C[C@@H](C(=O)NCC([NH3+])(CC)CC)CC1=O ZINC000160488687 463342437 /nfs/dbraw/zinc/34/24/37/463342437.db2.gz FRZPJOXFLIJDKO-AWEZNQCLSA-N 1 0 347.459 2.072 20 70 EEIDRO CC(C)[N@@H+]1CCCN(C(=O)Nc2ccc(-c3ncn(C)n3)cc2)CC1 ZINC000160730056 463366171 /nfs/dbraw/zinc/36/61/71/463366171.db2.gz QGIGTKJYTNULEE-UHFFFAOYSA-N 1 0 342.447 2.430 20 70 EEIDRO O=C(c1cccc2[nH]c(=O)oc21)N1CC[NH+]([C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000160779338 463370471 /nfs/dbraw/zinc/37/04/71/463370471.db2.gz NTJCCLKDLNLDOW-ZENOOKHLSA-N 1 0 341.411 2.068 20 70 EEIDRO CCC(CC)(C[NH3+])C(=O)NCc1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000161194917 463409652 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[NH3+]C1(CNC(=O)c2cc(N3CCCC3=O)ccc2F)CCCCC1 ZINC000159767729 534548468 /nfs/dbraw/zinc/54/84/68/534548468.db2.gz UZJUVXFWCGFSIG-UHFFFAOYSA-N 1 0 333.407 2.344 20 70 EEIDRO CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)[C@@H]2CCC[NH2+]C2)c1 ZINC000159834605 526601260 /nfs/dbraw/zinc/60/12/60/526601260.db2.gz ZDIVTOPAGOUNDO-CQSZACIVSA-N 1 0 338.473 2.338 20 70 EEIDRO CC1CC[NH+](CCCNC(=O)c2cccc(-n3ccnn3)c2)CC1 ZINC000160215262 528241930 /nfs/dbraw/zinc/24/19/30/528241930.db2.gz SFWRLAONVVJTNA-UHFFFAOYSA-N 1 0 327.432 2.119 20 70 EEIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc3c(c1)C(C)(C)C(=O)N3)CC2 ZINC000160358995 282127186 /nfs/dbraw/zinc/12/71/86/282127186.db2.gz YCTSMGYQDDHNFQ-BXUZGUMPSA-N 1 0 339.443 2.482 20 70 EEIDRO [NH3+]CCCC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000159507321 143799321 /nfs/dbraw/zinc/79/93/21/143799321.db2.gz RPTSCIJUHNXQBO-QGZVFWFLSA-N 1 0 325.412 2.092 20 70 EEIDRO O=C(c1cc(=O)[nH]c2cc(F)ccc21)N1CC[NH+](C2CCCC2)CC1 ZINC000159515734 225231617 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C[C@]1(O)CCCN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000159631507 463296535 /nfs/dbraw/zinc/29/65/35/463296535.db2.gz WGBBWIGERSYNSY-MJGOQNOKSA-N 1 0 331.460 2.380 20 70 EEIDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N[C@H]1CC[C@@H](CO)CC1 ZINC000159994913 463314075 /nfs/dbraw/zinc/31/40/75/463314075.db2.gz ZPYDXIBITHSLOX-OWYHZJEWSA-N 1 0 345.487 2.357 20 70 EEIDRO [NH3+]C[C@@H]1CCCN1C(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1 ZINC000160388276 463332979 /nfs/dbraw/zinc/33/29/79/463332979.db2.gz UCPWVARHPOLIFQ-LBPRGKRZSA-N 1 0 345.834 2.361 20 70 EEIDRO CCC[C@@H]1CN(C(=O)NCc2ccc(C)nc2)CC[N@@H+]1CCOC ZINC000160388545 463333530 /nfs/dbraw/zinc/33/35/30/463333530.db2.gz IMYRNSJEDKEQDM-QGZVFWFLSA-N 1 0 334.464 2.032 20 70 EEIDRO COCC[NH+]1CCC(NC(=O)c2ccc3nc(C)ccc3c2)CC1 ZINC000160378778 463333702 /nfs/dbraw/zinc/33/37/02/463333702.db2.gz YKZWHYGYHLPNCU-UHFFFAOYSA-N 1 0 327.428 2.384 20 70 EEIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cnn(Cc3ccccc3)c1)CC2 ZINC000160510931 463345633 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EEIDRO CCc1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)cc1 ZINC000160960658 463386065 /nfs/dbraw/zinc/38/60/65/463386065.db2.gz MGXJLVYVQKVRIP-AWEZNQCLSA-N 1 0 339.439 2.315 20 70 EEIDRO c1ccc(CN2CCO[C@@H](C[NH2+]C3CCC4(CC3)OCCO4)C2)cc1 ZINC000161241719 463412673 /nfs/dbraw/zinc/41/26/73/463412673.db2.gz ZYZNJOBMQOEBDG-IBGZPJMESA-N 1 0 346.471 2.163 20 70 EEIDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCC[C@H](CO)C2)CC1 ZINC000161295728 463416906 /nfs/dbraw/zinc/41/69/06/463416906.db2.gz BMPKWYWLPROGNZ-HOTGVXAUSA-N 1 0 346.475 2.021 20 70 EEIDRO CC(C)c1n[nH]c(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c1Br ZINC000161298690 463417319 /nfs/dbraw/zinc/41/73/19/463417319.db2.gz YALIAGUJBWPFQJ-RKDXNWHRSA-N 1 0 329.242 2.295 20 70 EEIDRO CCC[C@@](C)(CO)NC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000161340607 463423598 /nfs/dbraw/zinc/42/35/98/463423598.db2.gz TZMKYNYRAMAIIJ-KXBFYZLASA-N 1 0 348.491 2.457 20 70 EEIDRO CSCC[C@H]([NH3+])C(=O)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000161454255 463431367 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